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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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5298 |
1h0t ![]() ![]() |
cing | 1-original | 13 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 VAL 1 3H VAL 1 5.931 -22.363 7.199 2 H2 VAL 1 2H VAL 1 5.388 -23.838 7.843 3 H3 VAL 1 1H VAL 1 5.420 -23.601 6.160 4 HA VAL 1 HA VAL 1 3.646 -22.031 6.234 5 HB VAL 1 HB VAL 1 3.219 -24.469 8.013 6 1HG1 VAL 1 1HG1 VAL 1 1.225 -22.594 6.711 7 2HG1 VAL 1 3HG1 VAL 1 0.801 -24.220 7.245 8 3HG1 VAL 1 2HG1 VAL 1 1.346 -23.022 8.418 9 1HG2 VAL 1 1HG2 VAL 1 2.938 -23.942 5.042 10 2HG2 VAL 1 3HG2 VAL 1 3.935 -25.160 5.837 11 3HG2 VAL 1 2HG2 VAL 1 2.180 -25.326 5.828 12 H ASP 2 H ASP 2 3.307 -20.100 7.256 13 HA ASP 2 HA ASP 2 2.816 -20.021 10.180 14 1HB ASP 2 2HB ASP 2 4.587 -18.319 10.518 15 2HB ASP 2 1HB ASP 2 5.272 -19.822 9.915 16 H ASN 3 H ASN 3 1.987 -17.859 10.868 17 HA ASN 3 HA ASN 3 0.354 -16.598 8.727 18 1HB ASN 3 2HB ASN 3 0.391 -16.419 11.754 19 2HB ASN 3 1HB ASN 3 -0.738 -15.524 10.739 20 1HD2 ASN 3 1HD2 ASN 3 -1.861 -17.142 8.992 21 2HD2 ASN 3 2HD2 ASN 3 -2.431 -18.593 9.663 22 H LYS 4 H LYS 4 3.441 -15.992 9.960 23 HA LYS 4 HA LYS 4 3.395 -13.155 10.431 24 1HB LYS 4 2HB LYS 4 5.246 -14.438 11.226 25 2HB LYS 4 1HB LYS 4 5.514 -15.177 9.652 26 1HG LYS 4 2HG LYS 4 6.299 -13.066 8.727 27 2HG LYS 4 1HG LYS 4 5.892 -12.221 10.224 28 1HD LYS 4 2HD LYS 4 7.567 -13.533 11.442 29 2HD LYS 4 1HD LYS 4 7.926 -14.458 9.984 30 1HE LYS 4 2HE LYS 4 9.635 -12.786 10.070 31 2HE LYS 4 1HE LYS 4 8.469 -12.164 8.888 32 1HZ LYS 4 3HZ LYS 4 8.390 -11.515 11.795 33 2HZ LYS 4 2HZ LYS 4 9.110 -10.519 10.623 34 3HZ LYS 4 1HZ LYS 4 7.441 -10.826 10.567 35 H PHE 5 H PHE 5 4.657 -14.885 7.530 36 HA PHE 5 HA PHE 5 4.944 -12.604 5.900 37 1HB PHE 5 2HB PHE 5 4.495 -15.521 5.241 38 2HB PHE 5 1HB PHE 5 4.933 -14.314 4.027 39 HD1 PHE 5 HD1 PHE 5 6.245 -16.661 6.296 40 HD2 PHE 5 HD2 PHE 5 6.954 -12.712 4.770 41 HE1 PHE 5 HE1 PHE 5 8.598 -16.791 7.052 42 HE2 PHE 5 HE2 PHE 5 9.310 -12.846 5.517 43 HZ PHE 5 HZ PHE 5 10.125 -14.879 6.671 44 H ASN 6 H ASN 6 1.982 -14.421 6.587 45 HA ASN 6 HA ASN 6 0.387 -13.661 4.356 46 1HB ASN 6 2HB ASN 6 -0.196 -14.173 7.284 47 2HB ASN 6 1HB ASN 6 -1.487 -13.819 6.139 48 1HD2 ASN 6 1HD2 ASN 6 -1.441 -15.308 4.075 49 2HD2 ASN 6 2HD2 ASN 6 -1.019 -16.932 4.330 50 H LYS 7 H LYS 7 0.691 -11.913 7.536 51 HA LYS 7 HA LYS 7 -0.501 -9.514 6.247 52 1HB LYS 7 2HB LYS 7 -1.347 -10.226 8.429 53 2HB LYS 7 1HB LYS 7 0.274 -10.042 9.127 54 1HG LYS 7 2HG LYS 7 -0.739 -7.682 7.673 55 2HG LYS 7 1HG LYS 7 -1.697 -8.108 9.084 56 1HD LYS 7 2HD LYS 7 1.274 -7.512 9.014 57 2HD LYS 7 1HD LYS 7 0.012 -6.514 9.725 58 1HE LYS 7 2HE LYS 7 0.307 -7.612 11.688 59 2HE LYS 7 1HE LYS 7 -0.218 -9.114 10.902 60 1HZ LYS 7 1HZ LYS 7 2.050 -9.397 10.044 61 2HZ LYS 7 3HZ LYS 7 2.543 -7.991 10.855 62 3HZ LYS 7 2HZ LYS 7 2.038 -9.348 11.741 63 H GLU 8 H GLU 8 2.732 -10.691 6.841 64 HA GLU 8 HA GLU 8 3.979 -8.141 7.406 65 1HB GLU 8 2HB GLU 8 4.936 -10.761 6.239 66 2HB GLU 8 1HB GLU 8 6.001 -9.358 6.319 67 1HG GLU 8 2HG GLU 8 4.551 -10.554 8.698 68 2HG GLU 8 1HG GLU 8 6.251 -10.844 8.289 69 H GLN 9 H GLN 9 3.121 -9.901 4.448 70 HA GLN 9 HA GLN 9 4.188 -8.038 2.556 71 1HB GLN 9 2HB GLN 9 1.803 -9.913 2.461 72 2HB GLN 9 1HB GLN 9 2.484 -9.103 1.057 73 1HG GLN 9 2HG GLN 9 4.597 -10.276 1.351 74 2HG GLN 9 1HG GLN 9 3.990 -11.049 2.819 75 1HE2 GLN 9 1HE2 GLN 9 2.461 -12.810 2.578 76 2HE2 GLN 9 2HE2 GLN 9 2.070 -13.464 1.060 77 H GLN 10 H GLN 10 1.138 -8.319 4.338 78 HA GLN 10 HA GLN 10 -0.354 -6.144 3.169 79 1HB GLN 10 2HB GLN 10 -0.586 -8.145 5.167 80 2HB GLN 10 1HB GLN 10 -0.903 -6.624 5.953 81 1HG GLN 10 2HG GLN 10 -3.013 -7.001 5.187 82 2HG GLN 10 1HG GLN 10 -2.365 -6.254 3.738 83 1HE2 GLN 10 1HE2 GLN 10 -4.145 -7.664 2.653 84 2HE2 GLN 10 2HE2 GLN 10 -3.757 -9.276 2.291 85 H ASN 11 H ASN 11 1.601 -6.351 6.162 86 HA ASN 11 HA ASN 11 1.334 -3.568 6.878 87 1HB ASN 11 2HB ASN 11 1.964 -5.597 8.331 88 2HB ASN 11 1HB ASN 11 3.579 -5.481 7.626 89 1HD2 ASN 11 1HD2 ASN 11 4.985 -3.856 8.463 90 2HD2 ASN 11 2HD2 ASN 11 4.518 -2.727 9.639 91 H ALA 12 H ALA 12 3.917 -5.443 5.240 92 HA ALA 12 HA ALA 12 5.759 -3.276 4.843 93 1HB ALA 12 3HB ALA 12 5.201 -5.919 3.478 94 2HB ALA 12 1HB ALA 12 6.554 -5.496 4.537 95 3HB ALA 12 2HB ALA 12 6.473 -4.834 2.901 96 H PHE 13 H PHE 13 3.094 -4.589 2.851 97 HA PHE 13 HA PHE 13 3.358 -2.896 0.555 98 1HB PHE 13 2HB PHE 13 1.872 -4.829 0.546 99 2HB PHE 13 1HB PHE 13 1.005 -4.239 1.955 100 HD1 PHE 13 HD1 PHE 13 2.052 -2.566 -1.224 101 HD2 PHE 13 HD2 PHE 13 -1.170 -3.717 1.347 102 HE1 PHE 13 HE1 PHE 13 0.447 -1.501 -2.752 103 HE2 PHE 13 HE2 PHE 13 -2.778 -2.631 -0.175 104 HZ PHE 13 HZ PHE 13 -1.969 -1.526 -2.221 105 H TYR 14 H TYR 14 1.212 -2.592 3.390 106 HA TYR 14 HA TYR 14 0.158 -0.026 2.990 107 1HB TYR 14 2HB TYR 14 -0.464 -1.708 4.680 108 2HB TYR 14 1HB TYR 14 1.018 -1.345 5.566 109 HD1 TYR 14 HD1 TYR 14 -2.152 0.141 4.303 110 HD2 TYR 14 HD2 TYR 14 1.180 0.577 6.960 111 HE1 TYR 14 HE1 TYR 14 -3.298 1.910 5.403 112 HE2 TYR 14 HE2 TYR 14 0.018 2.455 8.074 113 HH TYR 14 HH TYR 14 -1.783 4.085 7.586 114 H GLU 15 H GLU 15 3.066 -0.878 4.962 115 HA GLU 15 HA GLU 15 3.834 1.794 5.590 116 1HB GLU 15 2HB GLU 15 5.357 -0.813 5.371 117 2HB GLU 15 1HB GLU 15 6.084 0.671 5.984 118 1HG GLU 15 2HG GLU 15 3.622 0.430 7.345 119 2HG GLU 15 1HG GLU 15 4.319 -1.188 7.348 120 H ILE 16 H ILE 16 4.854 -0.326 2.829 121 HA ILE 16 HA ILE 16 6.709 1.463 1.592 122 HB ILE 16 HB ILE 16 4.872 -0.755 0.742 123 1HG1 ILE 16 2HG1 ILE 16 7.732 -0.519 -0.058 124 2HG1 ILE 16 1HG1 ILE 16 7.405 -0.643 1.668 125 1HG2 ILE 16 3HG2 ILE 16 6.213 1.121 -1.206 126 2HG2 ILE 16 2HG2 ILE 16 5.788 -0.539 -1.630 127 3HG2 ILE 16 1HG2 ILE 16 4.526 0.606 -1.181 128 1HD1 ILE 16 1HD1 ILE 16 5.865 -2.527 0.014 129 2HD1 ILE 16 3HD1 ILE 16 7.628 -2.777 -0.022 130 3HD1 ILE 16 2HD1 ILE 16 6.764 -2.795 1.516 131 H LEU 17 H LEU 17 3.163 1.257 1.248 132 HA LEU 17 HA LEU 17 2.852 3.558 -0.514 133 1HB LEU 17 2HB LEU 17 0.946 2.220 1.436 134 2HB LEU 17 1HB LEU 17 0.471 3.373 0.194 135 HG LEU 17 HG LEU 17 2.066 1.190 -0.895 136 1HD1 LEU 17 3HD1 LEU 17 0.246 0.433 1.090 137 2HD1 LEU 17 2HD1 LEU 17 -0.592 0.173 -0.447 138 3HD1 LEU 17 1HD1 LEU 17 0.963 -0.591 -0.145 139 1HD2 LEU 17 2HD2 LEU 17 0.348 2.956 -1.900 140 2HD2 LEU 17 1HD2 LEU 17 0.581 1.340 -2.614 141 3HD2 LEU 17 3HD2 LEU 17 -0.786 1.625 -1.521 142 H HIS 18 H HIS 18 2.696 3.180 3.052 143 HA HIS 18 HA HIS 18 1.932 5.987 3.476 144 1HB HIS 18 2HB HIS 18 2.481 3.583 5.222 145 2HB HIS 18 1HB HIS 18 2.201 5.175 5.926 146 HD1 HIS 18 HD1 HIS 18 -0.214 6.103 5.868 147 HD2 HIS 18 HD2 HIS 18 0.137 2.440 3.942 148 HE1 HIS 18 HE1 HIS 18 -2.557 5.248 5.331 149 H LEU 19 H LEU 19 4.996 4.615 2.851 150 HA LEU 19 HA LEU 19 6.618 5.987 4.821 151 1HB LEU 19 2HB LEU 19 7.063 4.758 2.102 152 2HB LEU 19 1HB LEU 19 8.354 5.696 2.844 153 HG LEU 19 HG LEU 19 6.970 3.389 4.243 154 1HD1 LEU 19 2HD1 LEU 19 9.482 3.454 2.560 155 2HD1 LEU 19 1HD1 LEU 19 9.115 2.155 3.696 156 3HD1 LEU 19 3HD1 LEU 19 8.056 2.450 2.321 157 1HD2 LEU 19 3HD2 LEU 19 9.538 4.896 4.787 158 2HD2 LEU 19 2HD2 LEU 19 8.083 4.919 5.777 159 3HD2 LEU 19 1HD2 LEU 19 9.038 3.440 5.647 160 HA PRO 20 HA PRO 20 5.826 10.115 3.325 161 1HB PRO 20 2HB PRO 20 7.835 11.389 4.700 162 2HB PRO 20 1HB PRO 20 6.296 10.884 5.427 163 1HG PRO 20 2HG PRO 20 8.945 9.503 5.464 164 2HG PRO 20 1HG PRO 20 7.795 9.764 6.788 165 1HD PRO 20 1HD PRO 20 7.945 7.407 5.536 166 2HD PRO 20 2HD PRO 20 6.385 8.065 6.078 167 H ASN 21 H ASN 21 8.892 8.448 2.680 168 HA ASN 21 HA ASN 21 9.520 10.600 0.677 169 1HB ASN 21 2HB ASN 21 11.326 8.802 2.312 170 2HB ASN 21 1HB ASN 21 11.903 9.864 1.030 171 1HD2 ASN 21 1HD2 ASN 21 11.006 9.758 4.377 172 2HD2 ASN 21 2HD2 ASN 21 11.086 11.425 4.668 173 H LEU 22 H LEU 22 8.066 7.690 0.626 174 HA LEU 22 HA LEU 22 9.689 6.467 -1.538 175 1HB LEU 22 2HB LEU 22 7.324 5.661 0.139 176 2HB LEU 22 1HB LEU 22 7.541 4.876 -1.417 177 HG LEU 22 HG LEU 22 9.156 4.624 1.081 178 1HD1 LEU 22 3HD1 LEU 22 8.410 2.839 -1.246 179 2HD1 LEU 22 2HD1 LEU 22 9.450 2.307 0.083 180 3HD1 LEU 22 1HD1 LEU 22 7.775 2.773 0.399 181 1HD2 LEU 22 3HD2 LEU 22 10.383 4.513 -1.692 182 2HD2 LEU 22 2HD2 LEU 22 10.874 5.561 -0.342 183 3HD2 LEU 22 1HD2 LEU 22 11.127 3.811 -0.250 184 H ASN 23 H ASN 23 9.174 6.629 -3.651 185 HA ASN 23 HA ASN 23 6.815 8.325 -4.386 186 1HB ASN 23 2HB ASN 23 8.116 8.508 -6.599 187 2HB ASN 23 1HB ASN 23 8.816 9.297 -5.204 188 1HD2 ASN 23 1HD2 ASN 23 10.958 8.671 -4.627 189 2HD2 ASN 23 2HD2 ASN 23 11.778 7.365 -5.335 190 H GLU 24 H GLU 24 6.179 7.699 -6.848 191 HA GLU 24 HA GLU 24 4.775 5.206 -6.685 192 1HB GLU 24 2HB GLU 24 4.224 7.236 -8.096 193 2HB GLU 24 1HB GLU 24 5.513 6.741 -9.195 194 1HG GLU 24 2HG GLU 24 4.381 4.534 -9.479 195 2HG GLU 24 1HG GLU 24 3.067 5.105 -8.454 196 H GLU 25 H GLU 25 7.919 6.012 -8.196 197 HA GLU 25 HA GLU 25 8.287 3.479 -9.543 198 1HB GLU 25 2HB GLU 25 9.546 5.484 -10.125 199 2HB GLU 25 1HB GLU 25 10.211 5.591 -8.502 200 1HG GLU 25 2HG GLU 25 10.682 3.028 -9.941 201 2HG GLU 25 1HG GLU 25 11.539 4.438 -10.560 202 H GLN 26 H GLN 26 9.453 4.676 -6.351 203 HA GLN 26 HA GLN 26 10.716 2.161 -5.592 204 1HB GLN 26 2HB GLN 26 9.846 4.591 -4.006 205 2HB GLN 26 1HB GLN 26 10.877 3.308 -3.380 206 1HG GLN 26 2HG GLN 26 11.594 4.819 -5.898 207 2HG GLN 26 1HG GLN 26 12.042 5.417 -4.311 208 1HE2 GLN 26 1HE2 GLN 26 14.336 5.057 -4.523 209 2HE2 GLN 26 2HE2 GLN 26 15.006 3.505 -4.661 210 H ARG 27 H ARG 27 7.703 3.748 -4.472 211 HA ARG 27 HA ARG 27 6.842 1.685 -2.715 212 1HB ARG 27 2HB ARG 27 5.934 3.938 -2.712 213 2HB ARG 27 1HB ARG 27 5.358 3.758 -4.366 214 1HG ARG 27 2HG ARG 27 3.920 1.816 -3.481 215 2HG ARG 27 1HG ARG 27 4.297 2.428 -1.871 216 1HD ARG 27 2HD ARG 27 2.163 3.379 -2.674 217 2HD ARG 27 1HD ARG 27 3.384 4.658 -2.538 218 HE ARG 27 HE ARG 27 2.899 3.268 -5.157 219 1HH1 ARG 27 1HH1 ARG 27 4.533 5.856 -3.811 220 2HH1 ARG 27 2HH1 ARG 27 3.906 7.058 -4.885 221 1HH2 ARG 27 1HH2 ARG 27 1.538 4.951 -6.318 222 2HH2 ARG 27 2HH2 ARG 27 2.212 6.544 -6.308 223 H ASN 28 H ASN 28 5.903 2.225 -6.189 224 HA ASN 28 HA ASN 28 4.113 -0.029 -6.373 225 1HB ASN 28 2HB ASN 28 4.096 1.877 -7.912 226 2HB ASN 28 1HB ASN 28 5.702 1.460 -8.455 227 1HD2 ASN 28 1HD2 ASN 28 5.343 0.779 -10.605 228 2HD2 ASN 28 2HD2 ASN 28 4.272 -0.462 -11.030 229 H ALA 29 H ALA 29 7.570 0.341 -7.256 230 HA ALA 29 HA ALA 29 8.023 -2.262 -8.355 231 1HB ALA 29 3HB ALA 29 9.511 -0.171 -8.198 232 2HB ALA 29 1HB ALA 29 10.305 -1.733 -7.982 233 3HB ALA 29 2HB ALA 29 9.917 -0.740 -6.573 234 H PHE 30 H PHE 30 8.028 -1.037 -5.025 235 HA PHE 30 HA PHE 30 8.878 -3.429 -3.699 236 1HB PHE 30 2HB PHE 30 7.338 -0.937 -2.997 237 2HB PHE 30 1HB PHE 30 7.500 -2.234 -1.815 238 HD1 PHE 30 HD1 PHE 30 10.315 -3.111 -3.030 239 HD2 PHE 30 HD2 PHE 30 8.684 0.594 -1.614 240 HE1 PHE 30 HE1 PHE 30 12.558 -2.370 -2.420 241 HE2 PHE 30 HE2 PHE 30 10.955 1.337 -0.995 242 HZ PHE 30 HZ PHE 30 12.885 -0.190 -1.393 243 H ILE 31 H ILE 31 5.684 -2.130 -4.486 244 HA ILE 31 HA ILE 31 4.168 -4.300 -3.363 245 HB ILE 31 HB ILE 31 3.650 -2.237 -5.529 246 1HG1 ILE 31 2HG1 ILE 31 2.554 -2.374 -2.751 247 2HG1 ILE 31 1HG1 ILE 31 4.145 -1.694 -3.026 248 1HG2 ILE 31 2HG2 ILE 31 2.096 -4.551 -4.723 249 2HG2 ILE 31 1HG2 ILE 31 1.257 -3.043 -4.380 250 3HG2 ILE 31 3HG2 ILE 31 1.792 -3.396 -6.017 251 1HD1 ILE 31 2HD1 ILE 31 1.614 -0.787 -4.411 252 2HD1 ILE 31 1HD1 ILE 31 2.348 0.010 -3.004 253 3HD1 ILE 31 3HD1 ILE 31 3.227 -0.045 -4.534 254 H GLN 32 H GLN 32 5.931 -3.927 -6.454 255 HA GLN 32 HA GLN 32 4.726 -6.280 -7.717 256 1HB GLN 32 2HB GLN 32 7.222 -4.613 -8.202 257 2HB GLN 32 1HB GLN 32 6.764 -5.965 -9.239 258 1HG GLN 32 2HG GLN 32 4.630 -4.902 -9.762 259 2HG GLN 32 1HG GLN 32 4.973 -3.589 -8.639 260 1HE2 GLN 32 1HE2 GLN 32 5.879 -4.963 -11.798 261 2HE2 GLN 32 2HE2 GLN 32 6.730 -3.594 -12.331 262 H SER 33 H SER 33 7.848 -5.644 -6.032 263 HA SER 33 HA SER 33 8.780 -8.391 -5.997 264 1HB SER 33 2HB SER 33 10.275 -7.377 -4.155 265 2HB SER 33 1HB SER 33 10.407 -6.710 -5.776 266 HG SER 33 HG SER 33 8.847 -5.662 -3.635 267 H LEU 34 H LEU 34 6.695 -6.523 -3.902 268 HA LEU 34 HA LEU 34 6.737 -8.347 -1.620 269 1HB LEU 34 2HB LEU 34 6.489 -5.862 -1.593 270 2HB LEU 34 1HB LEU 34 4.949 -6.023 -2.422 271 HG LEU 34 HG LEU 34 4.202 -7.443 -0.430 272 1HD1 LEU 34 1HD1 LEU 34 6.776 -6.284 0.625 273 2HD1 LEU 34 3HD1 LEU 34 5.474 -6.858 1.667 274 3HD1 LEU 34 2HD1 LEU 34 6.288 -7.979 0.576 275 1HD2 LEU 34 3HD2 LEU 34 3.735 -4.952 -0.903 276 2HD2 LEU 34 2HD2 LEU 34 3.538 -5.504 0.756 277 3HD2 LEU 34 1HD2 LEU 34 4.987 -4.622 0.293 278 H LYS 35 H LYS 35 4.335 -7.554 -4.209 279 HA LYS 35 HA LYS 35 2.337 -9.458 -3.328 280 1HB LYS 35 2HB LYS 35 2.850 -7.759 -5.745 281 2HB LYS 35 1HB LYS 35 1.699 -9.050 -5.918 282 1HG LYS 35 2HG LYS 35 0.983 -7.922 -3.514 283 2HG LYS 35 1HG LYS 35 1.402 -6.540 -4.526 284 1HD LYS 35 2HD LYS 35 -0.357 -6.881 -5.936 285 2HD LYS 35 1HD LYS 35 -0.223 -8.637 -5.842 286 1HE LYS 35 2HE LYS 35 -1.017 -7.427 -3.283 287 2HE LYS 35 1HE LYS 35 -2.182 -7.128 -4.583 288 1HZ LYS 35 3HZ LYS 35 -1.017 -9.781 -3.895 289 2HZ LYS 35 2HZ LYS 35 -2.590 -9.271 -3.505 290 3HZ LYS 35 1HZ LYS 35 -2.144 -9.487 -5.130 291 H ASP 36 H ASP 36 5.078 -9.684 -5.601 292 HA ASP 36 HA ASP 36 4.351 -12.405 -6.462 293 1HB ASP 36 2HB ASP 36 6.786 -10.646 -6.927 294 2HB ASP 36 1HB ASP 36 6.500 -12.182 -7.735 295 H ASP 37 H ASP 37 6.774 -10.937 -4.232 296 HA ASP 37 HA ASP 37 7.546 -13.713 -3.375 297 1HB ASP 37 2HB ASP 37 9.223 -12.061 -4.487 298 2HB ASP 37 1HB ASP 37 9.191 -11.221 -2.936 299 HA PRO 38 HA PRO 38 5.365 -12.207 0.328 300 1HB PRO 38 2HB PRO 38 5.093 -14.677 1.471 301 2HB PRO 38 1HB PRO 38 4.026 -14.078 0.186 302 1HG PRO 38 2HG PRO 38 6.367 -15.906 -0.023 303 2HG PRO 38 1HG PRO 38 4.773 -16.022 -0.789 304 1HD PRO 38 1HD PRO 38 6.930 -15.108 -2.110 305 2HD PRO 38 2HD PRO 38 5.291 -14.489 -2.414 306 H SER 39 H SER 39 8.084 -14.565 0.386 307 HA SER 39 HA SER 39 8.791 -14.250 3.143 308 1HB SER 39 2HB SER 39 10.442 -15.029 0.722 309 2HB SER 39 1HB SER 39 10.933 -15.287 2.395 310 HG SER 39 HG SER 39 9.330 -16.748 2.646 311 H GLN 40 H GLN 40 9.866 -12.375 0.283 312 HA GLN 40 HA GLN 40 11.861 -10.893 1.862 313 1HB GLN 40 2HB GLN 40 11.661 -11.550 -0.742 314 2HB GLN 40 1HB GLN 40 10.891 -9.965 -0.813 315 1HG GLN 40 2HG GLN 40 13.147 -9.435 -1.148 316 2HG GLN 40 1HG GLN 40 12.959 -9.175 0.585 317 1HE2 GLN 40 1HE2 GLN 40 14.136 -10.574 2.022 318 2HE2 GLN 40 2HE2 GLN 40 15.177 -11.793 1.469 319 H SER 41 H SER 41 8.513 -10.679 1.901 320 HA SER 41 HA SER 41 7.898 -7.979 1.403 321 1HB SER 41 2HB SER 41 5.947 -8.423 2.859 322 2HB SER 41 1HB SER 41 6.281 -9.811 1.834 323 HG SER 41 HG SER 41 6.672 -10.943 3.562 324 H ALA 42 H ALA 42 8.974 -9.354 4.611 325 HA ALA 42 HA ALA 42 8.865 -6.837 6.019 326 1HB ALA 42 2HB ALA 42 10.777 -9.157 6.261 327 2HB ALA 42 3HB ALA 42 9.220 -9.019 7.089 328 3HB ALA 42 1HB ALA 42 10.532 -7.904 7.478 329 H ASN 43 H ASN 43 11.545 -8.446 4.260 330 HA ASN 43 HA ASN 43 13.582 -6.477 4.551 331 1HB ASN 43 2HB ASN 43 12.872 -8.691 2.719 332 2HB ASN 43 1HB ASN 43 13.945 -7.463 2.030 333 1HD2 ASN 43 1HD2 ASN 43 15.860 -6.862 3.668 334 2HD2 ASN 43 2HD2 ASN 43 16.580 -8.180 4.461 335 H LEU 44 H LEU 44 10.891 -6.802 2.251 336 HA LEU 44 HA LEU 44 11.587 -4.635 0.512 337 1HB LEU 44 2HB LEU 44 9.067 -6.105 1.209 338 2HB LEU 44 1HB LEU 44 9.061 -4.775 0.045 339 HG LEU 44 HG LEU 44 10.927 -7.138 -0.089 340 1HD1 LEU 44 2HD1 LEU 44 8.323 -7.373 -0.417 341 2HD1 LEU 44 1HD1 LEU 44 8.687 -6.683 -1.998 342 3HD1 LEU 44 3HD1 LEU 44 9.451 -8.195 -1.501 343 1HD2 LEU 44 2HD2 LEU 44 10.896 -4.520 -1.272 344 2HD2 LEU 44 1HD2 LEU 44 12.017 -5.866 -1.558 345 3HD2 LEU 44 3HD2 LEU 44 10.550 -5.742 -2.548 346 H LEU 45 H LEU 45 9.575 -4.821 3.437 347 HA LEU 45 HA LEU 45 8.927 -1.974 3.303 348 1HB LEU 45 2HB LEU 45 7.542 -3.405 4.581 349 2HB LEU 45 1HB LEU 45 8.905 -4.060 5.482 350 HG LEU 45 HG LEU 45 9.241 -1.997 6.635 351 1HD1 LEU 45 3HD1 LEU 45 7.269 -0.851 4.630 352 2HD1 LEU 45 2HD1 LEU 45 7.705 -0.009 6.114 353 3HD1 LEU 45 1HD1 LEU 45 8.941 -0.342 4.902 354 1HD2 LEU 45 2HD2 LEU 45 7.187 -3.551 7.094 355 2HD2 LEU 45 1HD2 LEU 45 7.331 -2.019 7.950 356 3HD2 LEU 45 3HD2 LEU 45 6.250 -2.155 6.564 357 H ALA 46 H ALA 46 11.434 -3.940 4.975 358 HA ALA 46 HA ALA 46 12.818 -1.842 6.361 359 1HB ALA 46 2HB ALA 46 13.515 -4.473 5.081 360 2HB ALA 46 1HB ALA 46 14.832 -3.420 5.619 361 3HB ALA 46 3HB ALA 46 13.628 -3.994 6.782 362 H GLU 47 H GLU 47 13.331 -3.066 2.992 363 HA GLU 47 HA GLU 47 15.365 -1.110 2.397 364 1HB GLU 47 2HB GLU 47 15.084 -1.885 0.060 365 2HB GLU 47 1HB GLU 47 15.280 -3.217 1.185 366 1HG GLU 47 2HG GLU 47 12.757 -3.361 1.174 367 2HG GLU 47 1HG GLU 47 12.823 -2.291 -0.225 368 H ALA 48 H ALA 48 11.781 -1.204 2.019 369 HA ALA 48 HA ALA 48 11.576 1.274 0.570 370 1HB ALA 48 1HB ALA 48 9.892 -0.556 0.982 371 2HB ALA 48 3HB ALA 48 9.754 0.036 2.646 372 3HB ALA 48 2HB ALA 48 9.277 1.068 1.283 373 H LYS 49 H LYS 49 11.780 0.441 4.046 374 HA LYS 49 HA LYS 49 11.403 3.100 5.123 375 1HB LYS 49 2HB LYS 49 12.229 0.377 5.952 376 2HB LYS 49 1HB LYS 49 12.888 1.659 6.951 377 1HG LYS 49 2HG LYS 49 10.831 2.270 7.754 378 2HG LYS 49 1HG LYS 49 10.018 1.894 6.229 379 1HD LYS 49 2HD LYS 49 10.256 -0.485 6.661 380 2HD LYS 49 1HD LYS 49 11.073 -0.151 8.191 381 1HE LYS 49 2HE LYS 49 8.360 1.026 7.642 382 2HE LYS 49 1HE LYS 49 8.507 -0.639 8.218 383 1HZ LYS 49 2HZ LYS 49 9.887 0.150 10.055 384 2HZ LYS 49 1HZ LYS 49 9.699 1.755 9.523 385 3HZ LYS 49 3HZ LYS 49 8.357 0.886 10.088 386 H LYS 50 H LYS 50 14.098 1.082 4.150 387 HA LYS 50 HA LYS 50 16.346 2.692 4.855 388 1HB LYS 50 2HB LYS 50 16.667 0.402 4.331 389 2HB LYS 50 1HB LYS 50 15.615 0.499 2.938 390 1HG LYS 50 2HG LYS 50 17.525 2.094 2.006 391 2HG LYS 50 1HG LYS 50 18.508 1.186 3.156 392 1HD LYS 50 2HD LYS 50 16.652 -0.186 1.178 393 2HD LYS 50 1HD LYS 50 18.338 0.191 0.792 394 1HE LYS 50 2HE LYS 50 19.030 -1.104 2.856 395 2HE LYS 50 1HE LYS 50 17.335 -1.604 3.037 396 1HZ LYS 50 3HZ LYS 50 17.402 -2.449 0.748 397 2HZ LYS 50 2HZ LYS 50 19.046 -2.032 0.632 398 3HZ LYS 50 1HZ LYS 50 18.544 -3.230 1.727 399 H LEU 51 H LEU 51 14.230 2.538 1.985 400 HA LEU 51 HA LEU 51 15.637 4.534 0.398 401 1HB LEU 51 2HB LEU 51 13.143 2.931 0.362 402 2HB LEU 51 1HB LEU 51 13.034 4.468 -0.483 403 HG LEU 51 HG LEU 51 14.599 3.859 -2.077 404 1HD1 LEU 51 3HD1 LEU 51 15.694 2.055 0.057 405 2HD1 LEU 51 2HD1 LEU 51 16.034 1.695 -1.637 406 3HD1 LEU 51 1HD1 LEU 51 16.541 3.238 -0.943 407 1HD2 LEU 51 1HD2 LEU 51 12.987 1.544 -1.117 408 2HD2 LEU 51 3HD2 LEU 51 12.878 2.432 -2.639 409 3HD2 LEU 51 2HD2 LEU 51 14.174 1.258 -2.395 410 H ASN 52 H ASN 52 12.933 4.546 2.677 411 HA ASN 52 HA ASN 52 11.898 7.140 2.311 412 1HB ASN 52 2HB ASN 52 10.995 5.241 3.683 413 2HB ASN 52 1HB ASN 52 12.229 5.583 4.891 414 1HD2 ASN 52 1HD2 ASN 52 11.740 7.163 6.427 415 2HD2 ASN 52 2HD2 ASN 52 10.421 8.225 6.322 416 H ASP 53 H ASP 53 14.606 6.034 4.382 417 HA ASP 53 HA ASP 53 15.170 8.753 5.375 418 1HB ASP 53 2HB ASP 53 16.696 6.139 5.597 419 2HB ASP 53 1HB ASP 53 17.028 7.599 6.525 420 H ALA 54 H ALA 54 16.676 6.481 3.037 421 HA ALA 54 HA ALA 54 18.995 8.094 2.437 422 1HB ALA 54 1HB ALA 54 17.499 6.056 0.751 423 2HB ALA 54 3HB ALA 54 19.171 6.564 0.511 424 3HB ALA 54 2HB ALA 54 18.721 5.667 1.963 425 H GLN 55 H GLN 55 15.898 7.675 0.664 426 HA GLN 55 HA GLN 55 16.385 9.748 -1.293 427 1HB GLN 55 2HB GLN 55 13.849 8.433 -0.289 428 2HB GLN 55 1HB GLN 55 13.934 9.473 -1.706 429 1HG GLN 55 2HG GLN 55 15.663 7.907 -2.671 430 2HG GLN 55 1HG GLN 55 15.354 6.814 -1.316 431 1HE2 GLN 55 1HE2 GLN 55 12.730 6.617 -0.997 432 2HE2 GLN 55 2HE2 GLN 55 11.911 6.219 -2.429 433 H ALA 56 H ALA 56 15.109 9.772 2.002 434 HA ALA 56 HA ALA 56 13.572 12.133 2.083 435 1HB ALA 56 3HB ALA 56 14.977 12.146 4.459 436 2HB ALA 56 1HB ALA 56 15.116 10.462 3.950 437 3HB ALA 56 2HB ALA 56 13.525 11.194 4.151 438 HA PRO 57 HA PRO 57 16.346 15.451 1.454 439 1HB PRO 57 2HB PRO 57 15.123 17.405 2.932 440 2HB PRO 57 1HB PRO 57 14.497 16.831 1.373 441 1HG PRO 57 2HG PRO 57 13.649 16.102 4.128 442 2HG PRO 57 1HG PRO 57 12.661 16.424 2.695 443 1HD PRO 57 1HD PRO 57 13.209 13.916 3.571 444 2HD PRO 57 2HD PRO 57 12.955 14.302 1.854 445 H LYS 58 H LYS 58 18.160 16.375 2.475 446 HA LYS 58 HA LYS 58 18.459 15.948 5.433 447 1HB LYS 58 2HB LYS 58 20.414 15.287 3.197 448 2HB LYS 58 1HB LYS 58 20.778 15.150 4.917 449 1HG LYS 58 2HG LYS 58 18.888 13.538 5.159 450 2HG LYS 58 1HG LYS 58 18.621 13.626 3.418 451 1HD LYS 58 2HD LYS 58 21.026 12.894 3.107 452 2HD LYS 58 1HD LYS 58 21.083 12.586 4.842 453 1HE LYS 58 2HE LYS 58 18.844 11.384 3.220 454 2HE LYS 58 1HE LYS 58 20.441 10.612 3.211 455 1HZ LYS 58 2HZ LYS 58 20.424 10.610 5.633 456 2HZ LYS 58 1HZ LYS 58 18.890 11.343 5.648 457 3HZ LYS 58 3HZ LYS 58 19.074 9.774 5.034 458 H1 VAL 1 2H VAL 1 -11.042 -11.203 -12.553 459 H2 VAL 1 1H VAL 1 -11.952 -12.605 -12.243 460 H3 VAL 1 3H VAL 1 -11.421 -11.638 -10.957 461 HA VAL 1 HA VAL 1 -10.000 -13.530 -11.015 462 HB VAL 1 HB VAL 1 -10.659 -14.132 -13.339 463 1HG1 VAL 1 2HG1 VAL 1 -8.746 -11.913 -14.137 464 2HG1 VAL 1 1HG1 VAL 1 -9.420 -13.105 -15.246 465 3HG1 VAL 1 3HG1 VAL 1 -10.483 -11.957 -14.434 466 1HG2 VAL 1 1HG2 VAL 1 -8.635 -15.131 -12.254 467 2HG2 VAL 1 3HG2 VAL 1 -8.526 -15.084 -14.013 468 3HG2 VAL 1 2HG2 VAL 1 -7.648 -13.901 -13.043 469 H ASP 2 H ASP 2 -7.897 -13.210 -10.271 470 HA ASP 2 HA ASP 2 -6.791 -10.455 -10.547 471 1HB ASP 2 2HB ASP 2 -7.262 -11.857 -8.351 472 2HB ASP 2 1HB ASP 2 -5.695 -12.576 -8.727 473 H ASN 3 H ASN 3 -4.857 -10.068 -11.569 474 HA ASN 3 HA ASN 3 -3.204 -12.400 -12.483 475 1HB ASN 3 2HB ASN 3 -4.222 -9.968 -13.993 476 2HB ASN 3 1HB ASN 3 -2.927 -10.992 -14.609 477 1HD2 ASN 3 1HD2 ASN 3 -6.400 -10.781 -14.137 478 2HD2 ASN 3 2HD2 ASN 3 -6.776 -12.277 -14.842 479 H LYS 4 H LYS 4 -2.432 -11.228 -10.179 480 HA LYS 4 HA LYS 4 -0.708 -10.075 -9.082 481 1HB LYS 4 2HB LYS 4 0.425 -10.394 -11.883 482 2HB LYS 4 1HB LYS 4 1.370 -9.760 -10.539 483 1HG LYS 4 2HG LYS 4 0.889 -11.847 -9.256 484 2HG LYS 4 1HG LYS 4 0.049 -12.487 -10.670 485 1HD LYS 4 2HD LYS 4 2.114 -12.285 -12.002 486 2HD LYS 4 1HD LYS 4 2.959 -11.631 -10.600 487 1HE LYS 4 2HE LYS 4 1.650 -14.112 -9.865 488 2HE LYS 4 1HE LYS 4 2.678 -14.366 -11.288 489 1HZ LYS 4 1HZ LYS 4 3.512 -12.971 -8.788 490 2HZ LYS 4 3HZ LYS 4 3.957 -14.549 -9.224 491 3HZ LYS 4 2HZ LYS 4 4.491 -13.234 -10.155 492 H PHE 5 H PHE 5 -2.657 -8.353 -9.359 493 HA PHE 5 HA PHE 5 -2.086 -6.025 -11.034 494 1HB PHE 5 2HB PHE 5 -3.996 -6.646 -8.760 495 2HB PHE 5 1HB PHE 5 -4.027 -5.141 -9.649 496 HD1 PHE 5 HD1 PHE 5 -3.415 -6.271 -12.439 497 HD2 PHE 5 HD2 PHE 5 -6.102 -7.545 -9.336 498 HE1 PHE 5 HE1 PHE 5 -4.876 -7.332 -14.135 499 HE2 PHE 5 HE2 PHE 5 -7.558 -8.605 -11.035 500 HZ PHE 5 HZ PHE 5 -6.946 -8.499 -13.435 501 H ASN 6 H ASN 6 0.254 -6.037 -9.966 502 HA ASN 6 HA ASN 6 0.475 -4.902 -7.279 503 1HB ASN 6 2HB ASN 6 2.594 -5.091 -9.437 504 2HB ASN 6 1HB ASN 6 2.850 -4.993 -7.699 505 1HD2 ASN 6 1HD2 ASN 6 3.890 -7.162 -9.371 506 2HD2 ASN 6 2HD2 ASN 6 3.145 -8.596 -8.854 507 H LYS 7 H LYS 7 0.746 -3.690 -10.584 508 HA LYS 7 HA LYS 7 1.578 -1.012 -10.016 509 1HB LYS 7 2HB LYS 7 0.942 -2.547 -12.254 510 2HB LYS 7 1HB LYS 7 -0.295 -1.293 -12.248 511 1HG LYS 7 2HG LYS 7 2.707 -0.833 -12.149 512 2HG LYS 7 1HG LYS 7 1.669 -0.558 -13.544 513 1HD LYS 7 2HD LYS 7 0.432 1.175 -12.317 514 2HD LYS 7 1HD LYS 7 1.405 0.873 -10.878 515 1HE LYS 7 2HE LYS 7 3.397 1.330 -12.662 516 2HE LYS 7 1HE LYS 7 2.123 2.346 -13.363 517 1HZ LYS 7 3HZ LYS 7 1.753 3.336 -11.184 518 2HZ LYS 7 2HZ LYS 7 2.977 2.369 -10.508 519 3HZ LYS 7 1HZ LYS 7 3.364 3.553 -11.660 520 H GLU 8 H GLU 8 -1.560 -2.552 -10.023 521 HA GLU 8 HA GLU 8 -3.186 -0.212 -9.778 522 1HB GLU 8 2HB GLU 8 -3.411 -3.120 -9.612 523 2HB GLU 8 1HB GLU 8 -4.493 -2.315 -8.478 524 1HG GLU 8 2HG GLU 8 -5.142 -0.816 -10.493 525 2HG GLU 8 1HG GLU 8 -4.388 -2.068 -11.480 526 H LEU 9 H LEU 9 -1.441 -2.129 -7.363 527 HA LEU 9 HA LEU 9 -2.716 -0.836 -5.085 528 1HB LEU 9 2HB LEU 9 0.027 -2.077 -5.065 529 2HB LEU 9 1HB LEU 9 -1.098 -1.903 -3.766 530 HG LEU 9 HG LEU 9 -1.813 -3.586 -6.141 531 1HD1 LEU 9 2HD1 LEU 9 0.061 -4.131 -3.904 532 2HD1 LEU 9 1HD1 LEU 9 -1.163 -5.377 -4.165 533 3HD1 LEU 9 3HD1 LEU 9 -0.056 -4.937 -5.474 534 1HD2 LEU 9 1HD2 LEU 9 -3.622 -2.793 -4.629 535 2HD2 LEU 9 3HD2 LEU 9 -3.391 -4.542 -4.480 536 3HD2 LEU 9 2HD2 LEU 9 -2.743 -3.466 -3.249 537 H SER 10 H SER 10 0.001 -0.056 -7.164 538 HA SER 10 HA SER 10 1.274 1.885 -5.450 539 1HB SER 10 2HB SER 10 2.520 1.145 -7.271 540 2HB SER 10 1HB SER 10 1.173 1.235 -8.383 541 HG SER 10 HG SER 10 1.566 3.310 -8.692 542 H VAL 11 H VAL 11 -1.239 2.102 -8.021 543 HA VAL 11 HA VAL 11 -1.725 4.971 -7.559 544 HB VAL 11 HB VAL 11 -3.324 2.920 -9.137 545 1HG1 VAL 11 2HG1 VAL 11 -3.178 5.924 -9.067 546 2HG1 VAL 11 1HG1 VAL 11 -3.647 5.100 -10.555 547 3HG1 VAL 11 3HG1 VAL 11 -4.598 4.879 -9.087 548 1HG2 VAL 11 1HG2 VAL 11 -0.907 4.566 -9.970 549 2HG2 VAL 11 3HG2 VAL 11 -0.987 2.805 -9.855 550 3HG2 VAL 11 2HG2 VAL 11 -1.927 3.657 -11.085 551 H ALA 12 H ALA 12 -3.698 1.996 -7.135 552 HA ALA 12 HA ALA 12 -5.878 3.229 -5.743 553 1HB ALA 12 1HB ALA 12 -5.778 0.990 -6.949 554 2HB ALA 12 2HB ALA 12 -6.601 0.976 -5.390 555 3HB ALA 12 3HB ALA 12 -4.946 0.360 -5.517 556 H GLY 13 H GLY 13 -3.171 1.332 -4.527 557 1HA GLY 13 1HA GLY 13 -2.220 1.131 -2.431 558 2HA GLY 13 2HA GLY 13 -3.826 1.453 -1.782 559 H ARG 14 H ARG 14 -1.357 3.393 -3.537 560 HA ARG 14 HA ARG 14 -0.734 4.998 -1.284 561 1HB ARG 14 2HB ARG 14 0.168 4.749 -3.857 562 2HB ARG 14 1HB ARG 14 -0.517 6.370 -3.890 563 1HG ARG 14 2HG ARG 14 1.523 5.299 -1.917 564 2HG ARG 14 1HG ARG 14 1.837 6.458 -3.205 565 1HD ARG 14 2HD ARG 14 0.490 8.140 -2.119 566 2HD ARG 14 1HD ARG 14 -0.108 6.957 -0.936 567 HE ARG 14 HE ARG 14 2.369 6.664 -0.309 568 1HH1 ARG 14 1HH1 ARG 14 3.992 8.369 -1.745 569 2HH1 ARG 14 2HH1 ARG 14 3.902 9.922 -0.984 570 1HH2 ARG 14 1HH2 ARG 14 0.969 9.188 0.758 571 2HH2 ARG 14 2HH2 ARG 14 2.177 10.389 0.444 572 H GLU 15 H GLU 15 -3.252 5.568 -3.810 573 HA GLU 15 HA GLU 15 -4.021 8.193 -2.835 574 1HB GLU 15 2HB GLU 15 -5.374 6.038 -4.476 575 2HB GLU 15 1HB GLU 15 -6.184 7.557 -4.091 576 1HG GLU 15 2HG GLU 15 -4.238 8.788 -5.093 577 2HG GLU 15 1HG GLU 15 -3.565 7.237 -5.592 578 H ILE 16 H ILE 16 -5.123 4.870 -2.103 579 HA ILE 16 HA ILE 16 -7.186 5.540 -0.195 580 HB ILE 16 HB ILE 16 -5.466 3.087 -0.740 581 1HG1 ILE 16 2HG1 ILE 16 -8.439 3.441 -1.157 582 2HG1 ILE 16 1HG1 ILE 16 -7.281 3.969 -2.372 583 1HG2 ILE 16 2HG2 ILE 16 -7.663 3.485 1.297 584 2HG2 ILE 16 1HG2 ILE 16 -7.330 1.893 0.602 585 3HG2 ILE 16 3HG2 ILE 16 -6.079 2.739 1.521 586 1HD1 ILE 16 1HD1 ILE 16 -6.387 1.432 -1.845 587 2HD1 ILE 16 3HD1 ILE 16 -8.127 1.241 -1.624 588 3HD1 ILE 16 2HD1 ILE 16 -7.494 1.845 -3.156 589 H VAL 17 H VAL 17 -3.680 5.243 -0.021 590 HA VAL 17 HA VAL 17 -3.326 5.105 2.842 591 HB VAL 17 HB VAL 17 -1.633 5.767 0.433 592 1HG1 VAL 17 1HG1 VAL 17 -0.981 6.429 3.235 593 2HG1 VAL 17 3HG1 VAL 17 0.261 5.544 2.350 594 3HG1 VAL 17 2HG1 VAL 17 -0.326 7.089 1.739 595 1HG2 VAL 17 1HG2 VAL 17 -2.147 3.469 2.154 596 2HG2 VAL 17 3HG2 VAL 17 -1.456 3.542 0.519 597 3HG2 VAL 17 2HG2 VAL 17 -0.424 3.792 1.922 598 H THR 18 H THR 18 -3.500 7.875 0.534 599 HA THR 18 HA THR 18 -3.560 9.663 2.931 600 HB THR 18 HB THR 18 -1.304 9.429 1.884 601 HG1 THR 18 HG1 THR 18 -2.445 12.012 1.603 602 1HG2 THR 18 2HG2 THR 18 -2.733 10.611 -0.508 603 2HG2 THR 18 1HG2 THR 18 -0.986 10.716 -0.301 604 3HG2 THR 18 3HG2 THR 18 -1.763 9.142 -0.436 605 H LEU 19 H LEU 19 -5.950 8.896 1.143 606 HA LEU 19 HA LEU 19 -6.470 11.172 -0.577 607 1HB LEU 19 2HB LEU 19 -8.883 10.445 -0.305 608 2HB LEU 19 1HB LEU 19 -7.777 9.207 -0.872 609 HG LEU 19 HG LEU 19 -7.992 9.253 2.047 610 1HD1 LEU 19 3HD1 LEU 19 -10.425 9.139 0.308 611 2HD1 LEU 19 2HD1 LEU 19 -10.340 8.081 1.715 612 3HD1 LEU 19 1HD1 LEU 19 -10.222 9.826 1.918 613 1HD2 LEU 19 2HD2 LEU 19 -8.213 7.258 -0.213 614 2HD2 LEU 19 1HD2 LEU 19 -7.014 7.326 1.075 615 3HD2 LEU 19 3HD2 LEU 19 -8.658 6.797 1.431 616 HA PRO 20 HA PRO 20 -6.974 14.596 1.971 617 1HB PRO 20 2HB PRO 20 -9.260 15.819 1.053 618 2HB PRO 20 1HB PRO 20 -7.690 15.840 0.225 619 1HG PRO 20 2HG PRO 20 -10.034 14.037 -0.225 620 2HG PRO 20 1HG PRO 20 -9.044 14.906 -1.412 621 1HD PRO 20 1HD PRO 20 -8.631 12.321 -0.966 622 2HD PRO 20 2HD PRO 20 -7.253 13.425 -1.198 623 H ASN 21 H ASN 21 -9.869 12.495 2.207 624 HA ASN 21 HA ASN 21 -10.434 13.874 4.832 625 1HB ASN 21 2HB ASN 21 -12.307 12.653 2.811 626 2HB ASN 21 1HB ASN 21 -12.813 13.225 4.385 627 1HD2 ASN 21 1HD2 ASN 21 -13.883 14.312 1.993 628 2HD2 ASN 21 2HD2 ASN 21 -13.373 15.927 1.859 629 H LEU 22 H LEU 22 -8.969 11.106 4.047 630 HA LEU 22 HA LEU 22 -10.720 9.305 5.650 631 1HB LEU 22 2HB LEU 22 -9.454 8.808 3.398 632 2HB LEU 22 1HB LEU 22 -8.119 8.473 4.484 633 HG LEU 22 HG LEU 22 -10.033 7.081 5.748 634 1HD1 LEU 22 3HD1 LEU 22 -11.598 7.826 3.788 635 2HD1 LEU 22 2HD1 LEU 22 -10.761 6.571 2.876 636 3HD1 LEU 22 1HD1 LEU 22 -11.650 6.152 4.338 637 1HD2 LEU 22 3HD2 LEU 22 -8.030 6.453 3.649 638 2HD2 LEU 22 2HD2 LEU 22 -8.211 5.793 5.280 639 3HD2 LEU 22 1HD2 LEU 22 -9.228 5.193 3.970 640 H ASN 23 H ASN 23 -9.842 8.062 7.350 641 HA ASN 23 HA ASN 23 -7.677 9.457 8.894 642 1HB ASN 23 2HB ASN 23 -8.717 8.432 10.877 643 2HB ASN 23 1HB ASN 23 -9.903 9.342 9.952 644 1HD2 ASN 23 1HD2 ASN 23 -10.815 7.361 11.733 645 2HD2 ASN 23 2HD2 ASN 23 -11.426 6.046 10.853 646 H ASP 24 H ASP 24 -6.117 8.102 10.063 647 HA ASP 24 HA ASP 24 -4.789 6.255 8.452 648 1HB ASP 24 2HB ASP 24 -3.350 5.859 10.381 649 2HB ASP 24 1HB ASP 24 -3.760 7.562 10.230 650 HA PRO 25 HA PRO 25 -6.468 2.491 10.906 651 1HB PRO 25 2HB PRO 25 -9.052 2.602 11.810 652 2HB PRO 25 1HB PRO 25 -7.652 3.034 12.810 653 1HG PRO 25 2HG PRO 25 -9.561 4.796 11.367 654 2HG PRO 25 1HG PRO 25 -8.817 5.002 12.959 655 1HD PRO 25 1HD PRO 25 -7.972 6.302 10.729 656 2HD PRO 25 2HD PRO 25 -6.919 5.914 12.095 657 H GLN 26 H GLN 26 -8.942 4.412 9.066 658 HA GLN 26 HA GLN 26 -10.185 2.084 7.877 659 1HB GLN 26 2HB GLN 26 -10.125 5.029 7.157 660 2HB GLN 26 1HB GLN 26 -11.090 3.843 6.267 661 1HG GLN 26 2HG GLN 26 -12.074 3.144 8.525 662 2HG GLN 26 1HG GLN 26 -11.321 4.583 9.197 663 1HE2 GLN 26 1HE2 GLN 26 -11.801 6.461 7.104 664 2HE2 GLN 26 2HE2 GLN 26 -13.476 6.660 6.929 665 H LYS 27 H LYS 27 -7.691 4.371 6.596 666 HA LYS 27 HA LYS 27 -7.277 3.046 4.093 667 1HB LYS 27 2HB LYS 27 -4.897 3.986 4.333 668 2HB LYS 27 1HB LYS 27 -6.233 5.141 4.287 669 1HG LYS 27 2HG LYS 27 -6.098 5.067 6.878 670 2HG LYS 27 1HG LYS 27 -4.542 4.286 6.634 671 1HD LYS 27 2HD LYS 27 -4.103 6.636 6.822 672 2HD LYS 27 1HD LYS 27 -3.930 6.218 5.125 673 1HE LYS 27 2HE LYS 27 -5.743 7.464 4.486 674 2HE LYS 27 1HE LYS 27 -6.662 7.054 5.942 675 1HZ LYS 27 1HZ LYS 27 -5.172 8.495 7.226 676 2HZ LYS 27 3HZ LYS 27 -4.352 8.925 5.804 677 3HZ LYS 27 2HZ LYS 27 -5.978 9.365 6.010 678 H LYS 28 H LYS 28 -5.947 2.415 7.305 679 HA LYS 28 HA LYS 28 -3.932 0.517 6.645 680 1HB LYS 28 2HB LYS 28 -5.445 1.456 8.963 681 2HB LYS 28 1HB LYS 28 -5.242 -0.289 9.057 682 1HG LYS 28 2HG LYS 28 -2.887 1.365 8.304 683 2HG LYS 28 1HG LYS 28 -3.382 1.353 9.988 684 1HD LYS 28 2HD LYS 28 -2.878 -0.867 10.271 685 2HD LYS 28 1HD LYS 28 -3.241 -1.272 8.592 686 1HE LYS 28 2HE LYS 28 -1.138 -0.601 7.821 687 2HE LYS 28 1HE LYS 28 -0.858 0.464 9.210 688 1HZ LYS 28 1HZ LYS 28 -1.177 -2.473 9.525 689 2HZ LYS 28 3HZ LYS 28 0.336 -1.762 9.241 690 3HZ LYS 28 2HZ LYS 28 -0.540 -1.358 10.638 691 H ALA 29 H ALA 29 -7.315 -0.209 7.747 692 HA ALA 29 HA ALA 29 -7.292 -2.992 7.000 693 1HB ALA 29 2HB ALA 29 -9.768 -2.728 7.208 694 2HB ALA 29 3HB ALA 29 -9.559 -0.977 7.238 695 3HB ALA 29 1HB ALA 29 -8.912 -1.965 8.549 696 H PHE 30 H PHE 30 -8.020 -0.034 5.201 697 HA PHE 30 HA PHE 30 -9.251 -1.119 2.853 698 1HB PHE 30 2HB PHE 30 -8.233 1.366 3.877 699 2HB PHE 30 1HB PHE 30 -7.579 1.142 2.272 700 HD1 PHE 30 HD1 PHE 30 -10.445 2.075 4.194 701 HD2 PHE 30 HD2 PHE 30 -9.170 0.550 0.392 702 HE1 PHE 30 HE1 PHE 30 -12.603 2.764 3.199 703 HE2 PHE 30 HE2 PHE 30 -11.332 1.230 -0.596 704 HZ PHE 30 HZ PHE 30 -13.044 2.345 0.808 705 H ILE 31 H ILE 31 -5.858 -0.158 3.405 706 HA ILE 31 HA ILE 31 -4.832 -1.116 0.913 707 HB ILE 31 HB ILE 31 -3.750 -0.449 3.647 708 1HG1 ILE 31 2HG1 ILE 31 -4.019 0.845 0.993 709 2HG1 ILE 31 1HG1 ILE 31 -3.988 1.571 2.607 710 1HG2 ILE 31 2HG2 ILE 31 -2.425 -2.386 2.380 711 2HG2 ILE 31 1HG2 ILE 31 -1.810 -1.027 1.422 712 3HG2 ILE 31 3HG2 ILE 31 -1.570 -1.072 3.170 713 1HD1 ILE 31 3HD1 ILE 31 -1.473 0.412 1.497 714 2HD1 ILE 31 2HD1 ILE 31 -2.037 1.951 0.901 715 3HD1 ILE 31 1HD1 ILE 31 -1.707 1.745 2.632 716 H PHE 32 H PHE 32 -5.098 -2.589 4.160 717 HA PHE 32 HA PHE 32 -3.740 -5.020 3.528 718 1HB PHE 32 2HB PHE 32 -5.648 -4.060 5.656 719 2HB PHE 32 1HB PHE 32 -5.206 -5.767 5.601 720 HD1 PHE 32 HD1 PHE 32 -3.351 -6.405 7.003 721 HD2 PHE 32 HD2 PHE 32 -3.337 -2.388 5.223 722 HE1 PHE 32 HE1 PHE 32 -1.222 -5.872 8.050 723 HE2 PHE 32 HE2 PHE 32 -1.228 -1.962 6.348 724 HZ PHE 32 HZ PHE 32 -0.162 -3.722 7.702 725 H SER 33 H SER 33 -7.175 -3.990 2.987 726 HA SER 33 HA SER 33 -7.940 -6.699 2.050 727 1HB SER 33 2HB SER 33 -10.071 -5.644 1.553 728 2HB SER 33 1HB SER 33 -9.522 -5.025 3.101 729 HG SER 33 HG SER 33 -9.387 -3.113 2.262 730 H LEU 34 H LEU 34 -6.818 -3.622 0.678 731 HA LEU 34 HA LEU 34 -7.142 -4.118 -2.136 732 1HB LEU 34 2HB LEU 34 -6.691 -1.922 -1.230 733 2HB LEU 34 1HB LEU 34 -5.237 -2.466 -0.431 734 HG LEU 34 HG LEU 34 -4.381 -2.948 -2.797 735 1HD1 LEU 34 2HD1 LEU 34 -7.006 -1.790 -3.361 736 2HD1 LEU 34 1HD1 LEU 34 -5.701 -0.941 -4.192 737 3HD1 LEU 34 3HD1 LEU 34 -5.919 -2.678 -4.431 738 1HD2 LEU 34 2HD2 LEU 34 -3.813 -0.966 -1.229 739 2HD2 LEU 34 1HD2 LEU 34 -3.472 -0.759 -2.950 740 3HD2 LEU 34 3HD2 LEU 34 -4.915 -0.033 -2.246 741 H TRP 35 H TRP 35 -4.508 -4.848 0.149 742 HA TRP 35 HA TRP 35 -2.620 -5.968 -1.714 743 1HB TRP 35 2HB TRP 35 -2.190 -5.155 0.610 744 2HB TRP 35 1HB TRP 35 -3.040 -6.572 1.224 745 HD1 TRP 35 HD1 TRP 35 -1.630 -8.683 1.512 746 HE1 TRP 35 HE1 TRP 35 0.654 -9.476 0.686 747 HE3 TRP 35 HE3 TRP 35 -0.483 -4.860 -1.625 748 HZ2 TRP 35 HZ2 TRP 35 2.733 -8.580 -1.069 749 HZ3 TRP 35 HZ3 TRP 35 1.650 -4.862 -2.871 750 HH2 TRP 35 HH2 TRP 35 3.247 -6.698 -2.590 751 H ASP 36 H ASP 36 -5.140 -7.444 0.379 752 HA ASP 36 HA ASP 36 -4.562 -10.182 -0.218 753 1HB ASP 36 2HB ASP 36 -5.990 -9.018 1.652 754 2HB ASP 36 1HB ASP 36 -7.300 -9.122 0.478 755 H ASP 37 H ASP 37 -6.909 -7.858 -1.642 756 HA ASP 37 HA ASP 37 -7.033 -9.636 -4.014 757 1HB ASP 37 2HB ASP 37 -9.457 -8.266 -2.807 758 2HB ASP 37 1HB ASP 37 -9.443 -9.483 -4.075 759 HA PRO 38 HA PRO 38 -6.270 -5.260 -5.292 760 1HB PRO 38 2HB PRO 38 -4.546 -5.829 -7.308 761 2HB PRO 38 1HB PRO 38 -4.046 -5.604 -5.629 762 1HG PRO 38 2HG PRO 38 -4.493 -8.140 -7.131 763 2HG PRO 38 1HG PRO 38 -3.209 -7.729 -5.989 764 1HD PRO 38 1HD PRO 38 -5.347 -9.247 -5.296 765 2HD PRO 38 2HD PRO 38 -4.516 -8.174 -4.146 766 H SER 39 H SER 39 -7.782 -8.009 -6.638 767 HA SER 39 HA SER 39 -8.321 -7.160 -9.345 768 1HB SER 39 2HB SER 39 -8.880 -9.338 -7.746 769 2HB SER 39 1HB SER 39 -10.453 -8.563 -7.832 770 HG SER 39 HG SER 39 -10.432 -8.757 -10.023 771 H GLN 40 H GLN 40 -9.715 -6.461 -6.155 772 HA GLN 40 HA GLN 40 -11.784 -4.606 -7.231 773 1HB GLN 40 2HB GLN 40 -11.068 -4.998 -4.321 774 2HB GLN 40 1HB GLN 40 -12.631 -4.601 -5.013 775 1HG GLN 40 2HG GLN 40 -11.226 -7.280 -5.077 776 2HG GLN 40 1HG GLN 40 -12.684 -6.869 -4.187 777 1HE2 GLN 40 1HE2 GLN 40 -12.031 -8.799 -6.591 778 2HE2 GLN 40 2HE2 GLN 40 -13.284 -8.470 -7.688 779 H SER 41 H SER 41 -8.534 -4.266 -6.954 780 HA SER 41 HA SER 41 -7.906 -2.180 -5.192 781 1HB SER 41 2HB SER 41 -6.335 -3.510 -6.435 782 2HB SER 41 1HB SER 41 -6.888 -2.815 -7.948 783 HG SER 41 HG SER 41 -4.968 -1.939 -6.435 784 H ALA 42 H ALA 42 -9.166 -1.929 -8.549 785 HA ALA 42 HA ALA 42 -9.108 0.940 -8.805 786 1HB ALA 42 2HB ALA 42 -11.120 -1.056 -9.917 787 2HB ALA 42 1HB ALA 42 -10.685 0.504 -10.624 788 3HB ALA 42 3HB ALA 42 -9.509 -0.812 -10.601 789 H ASN 43 H ASN 43 -11.639 -1.330 -7.748 790 HA ASN 43 HA ASN 43 -13.620 0.589 -6.998 791 1HB ASN 43 2HB ASN 43 -13.030 -2.308 -6.441 792 2HB ASN 43 1HB ASN 43 -14.417 -1.520 -5.685 793 1HD2 ASN 43 1HD2 ASN 43 -13.333 -3.085 -8.554 794 2HD2 ASN 43 2HD2 ASN 43 -14.652 -2.680 -9.541 795 H LEU 44 H LEU 44 -10.842 -0.839 -5.258 796 HA LEU 44 HA LEU 44 -11.612 -0.069 -2.581 797 1HB LEU 44 2HB LEU 44 -9.262 -1.080 -4.064 798 2HB LEU 44 1HB LEU 44 -8.871 -0.164 -2.612 799 HG LEU 44 HG LEU 44 -11.087 -2.076 -2.284 800 1HD1 LEU 44 1HD1 LEU 44 -8.566 -2.922 -3.498 801 2HD1 LEU 44 3HD1 LEU 44 -8.859 -3.719 -1.947 802 3HD1 LEU 44 2HD1 LEU 44 -10.053 -3.844 -3.240 803 1HD2 LEU 44 2HD2 LEU 44 -8.682 -1.040 -0.803 804 2HD2 LEU 44 1HD2 LEU 44 -10.383 -1.074 -0.316 805 3HD2 LEU 44 3HD2 LEU 44 -9.422 -2.557 -0.272 806 H LEU 45 H LEU 45 -9.485 1.399 -4.953 807 HA LEU 45 HA LEU 45 -8.721 3.767 -3.608 808 1HB LEU 45 2HB LEU 45 -7.673 3.075 -5.672 809 2HB LEU 45 1HB LEU 45 -9.210 3.066 -6.522 810 HG LEU 45 HG LEU 45 -9.352 5.443 -6.514 811 1HD1 LEU 45 2HD1 LEU 45 -7.280 5.219 -4.357 812 2HD1 LEU 45 1HD1 LEU 45 -7.336 6.684 -5.342 813 3HD1 LEU 45 3HD1 LEU 45 -8.748 6.199 -4.410 814 1HD2 LEU 45 2HD2 LEU 45 -7.646 4.349 -8.058 815 2HD2 LEU 45 1HD2 LEU 45 -7.408 6.070 -7.755 816 3HD2 LEU 45 3HD2 LEU 45 -6.407 4.881 -6.920 817 H ALA 46 H ALA 46 -11.501 3.146 -5.777 818 HA ALA 46 HA ALA 46 -12.732 5.728 -5.564 819 1HB ALA 46 2HB ALA 46 -13.613 2.907 -6.181 820 2HB ALA 46 3HB ALA 46 -13.434 4.264 -7.295 821 3HB ALA 46 1HB ALA 46 -14.788 4.224 -6.165 822 H GLU 47 H GLU 47 -13.169 2.684 -3.728 823 HA GLU 47 HA GLU 47 -15.218 3.473 -1.934 824 1HB GLU 47 2HB GLU 47 -14.101 1.170 -2.433 825 2HB GLU 47 1HB GLU 47 -12.892 1.648 -1.238 826 1HG GLU 47 2HG GLU 47 -14.599 0.363 -0.092 827 2HG GLU 47 1HG GLU 47 -14.788 2.046 0.392 828 H ALA 48 H ALA 48 -11.717 4.014 -1.892 829 HA ALA 48 HA ALA 48 -11.418 4.954 0.814 830 1HB ALA 48 2HB ALA 48 -9.259 4.950 0.088 831 2HB ALA 48 3HB ALA 48 -9.605 6.229 -1.073 832 3HB ALA 48 1HB ALA 48 -9.846 4.530 -1.533 833 H LYS 49 H LYS 49 -11.695 6.795 -2.277 834 HA LYS 49 HA LYS 49 -12.022 9.398 -1.113 835 1HB LYS 49 2HB LYS 49 -12.672 8.063 -3.739 836 2HB LYS 49 1HB LYS 49 -13.155 9.736 -3.459 837 1HG LYS 49 2HG LYS 49 -11.064 10.293 -4.147 838 2HG LYS 49 1HG LYS 49 -10.545 9.729 -2.562 839 1HD LYS 49 2HD LYS 49 -9.160 8.623 -4.172 840 2HD LYS 49 1HD LYS 49 -10.291 7.426 -3.564 841 1HE LYS 49 2HE LYS 49 -10.797 6.995 -5.744 842 2HE LYS 49 1HE LYS 49 -11.630 8.562 -5.756 843 1HZ LYS 49 3HZ LYS 49 -8.727 8.148 -6.294 844 2HZ LYS 49 2HZ LYS 49 -9.910 8.464 -7.471 845 3HZ LYS 49 1HZ LYS 49 -9.534 9.642 -6.307 846 H LYS 50 H LYS 50 -14.445 6.965 -2.178 847 HA LYS 50 HA LYS 50 -16.824 8.465 -1.641 848 1HB LYS 50 2HB LYS 50 -16.140 5.511 -1.569 849 2HB LYS 50 1HB LYS 50 -17.790 6.099 -1.354 850 1HG LYS 50 2HG LYS 50 -17.857 7.042 -3.538 851 2HG LYS 50 1HG LYS 50 -16.110 6.921 -3.731 852 1HD LYS 50 2HD LYS 50 -17.031 5.128 -5.019 853 2HD LYS 50 1HD LYS 50 -16.390 4.388 -3.555 854 1HE LYS 50 2HE LYS 50 -19.139 5.220 -3.108 855 2HE LYS 50 1HE LYS 50 -19.035 4.169 -4.533 856 1HZ LYS 50 1HZ LYS 50 -17.700 2.605 -3.243 857 2HZ LYS 50 3HZ LYS 50 -17.824 3.599 -1.873 858 3HZ LYS 50 2HZ LYS 50 -19.210 2.854 -2.508 859 H LEU 51 H LEU 51 -14.879 6.363 0.511 860 HA LEU 51 HA LEU 51 -16.551 6.694 2.860 861 1HB LEU 51 2HB LEU 51 -15.051 4.791 2.518 862 2HB LEU 51 1HB LEU 51 -13.653 5.859 2.438 863 HG LEU 51 HG LEU 51 -13.881 6.445 4.777 864 1HD1 LEU 51 2HD1 LEU 51 -16.560 5.097 4.498 865 2HD1 LEU 51 1HD1 LEU 51 -15.764 5.127 6.071 866 3HD1 LEU 51 3HD1 LEU 51 -16.164 6.641 5.259 867 1HD2 LEU 51 3HD2 LEU 51 -14.053 3.536 4.054 868 2HD2 LEU 51 2HD2 LEU 51 -12.680 4.450 4.681 869 3HD2 LEU 51 1HD2 LEU 51 -14.003 3.994 5.754 870 H ASN 52 H ASN 52 -13.705 8.443 1.577 871 HA ASN 52 HA ASN 52 -13.097 10.082 3.820 872 1HB ASN 52 2HB ASN 52 -11.579 10.871 2.336 873 2HB ASN 52 1HB ASN 52 -12.203 9.677 1.233 874 1HD2 ASN 52 1HD2 ASN 52 -10.929 12.260 0.541 875 2HD2 ASN 52 2HD2 ASN 52 -12.081 13.166 -0.309 876 H ASP 53 H ASP 53 -15.666 10.354 1.373 877 HA ASP 53 HA ASP 53 -16.458 13.042 1.917 878 1HB ASP 53 2HB ASP 53 -17.034 11.204 0.033 879 2HB ASP 53 1HB ASP 53 -18.462 11.003 1.044 880 H ALA 54 H ALA 54 -17.351 9.923 3.391 881 HA ALA 54 HA ALA 54 -19.675 10.783 4.856 882 1HB ALA 54 1HB ALA 54 -18.676 8.447 4.292 883 2HB ALA 54 3HB ALA 54 -17.713 8.673 5.754 884 3HB ALA 54 2HB ALA 54 -19.475 8.651 5.855 885 H GLN 55 H GLN 55 -16.201 10.875 5.616 886 HA GLN 55 HA GLN 55 -16.613 11.852 8.369 887 1HB GLN 55 2HB GLN 55 -14.269 11.297 6.537 888 2HB GLN 55 1HB GLN 55 -14.045 11.927 8.158 889 1HG GLN 55 2HG GLN 55 -15.078 9.988 9.151 890 2HG GLN 55 1HG GLN 55 -15.601 9.396 7.571 891 1HE2 GLN 55 1HE2 GLN 55 -13.424 9.555 5.980 892 2HE2 GLN 55 2HE2 GLN 55 -12.124 8.662 6.617 893 H ALA 56 H ALA 56 -15.608 13.140 5.195 894 HA ALA 56 HA ALA 56 -16.098 15.928 6.138 895 1HB ALA 56 1HB ALA 56 -13.829 15.948 6.512 896 2HB ALA 56 2HB ALA 56 -13.775 16.216 4.769 897 3HB ALA 56 3HB ALA 56 -13.549 14.592 5.418 898 HA PRO 57 HA PRO 57 -17.728 16.207 1.999 899 1HB PRO 57 2HB PRO 57 -17.497 18.891 1.520 900 2HB PRO 57 1HB PRO 57 -18.723 18.206 2.606 901 1HG PRO 57 2HG PRO 57 -16.116 19.481 3.258 902 2HG PRO 57 1HG PRO 57 -17.681 19.643 4.070 903 1HD PRO 57 1HD PRO 57 -15.675 18.073 5.015 904 2HD PRO 57 2HD PRO 57 -17.395 17.712 5.287 905 H LYS 58 H LYS 58 -16.886 16.079 -0.099 906 HA LYS 58 HA LYS 58 -14.000 16.080 -0.468 907 1HB LYS 58 2HB LYS 58 -16.390 15.785 -2.311 908 2HB LYS 58 1HB LYS 58 -14.733 15.687 -2.902 909 1HG LYS 58 2HG LYS 58 -14.301 13.854 -1.248 910 2HG LYS 58 1HG LYS 58 -16.009 13.902 -0.805 911 1HD LYS 58 2HD LYS 58 -16.602 13.453 -3.189 912 2HD LYS 58 1HD LYS 58 -14.885 13.293 -3.557 913 1HE LYS 58 2HE LYS 58 -14.812 11.172 -2.730 914 2HE LYS 58 1HE LYS 58 -15.704 11.635 -1.270 915 1HZ LYS 58 1HZ LYS 58 -16.936 11.280 -3.956 916 2HZ LYS 58 3HZ LYS 58 -16.976 10.119 -2.722 917 3HZ LYS 58 2HZ LYS 58 -17.754 11.612 -2.502 No H/Q in entry = 917 Start of MODEL 2 1 H1 VAL 1 1H VAL 1 -8.269 -13.339 8.730 2 H2 VAL 1 3H VAL 1 -8.667 -13.135 10.367 3 H3 VAL 1 2H VAL 1 -7.207 -12.517 9.767 4 HA VAL 1 HA VAL 1 -6.618 -14.467 10.936 5 HB VAL 1 HB VAL 1 -7.821 -16.653 10.206 6 1HG1 VAL 1 1HG1 VAL 1 -8.102 -15.437 12.391 7 2HG1 VAL 1 3HG1 VAL 1 -9.488 -14.605 11.686 8 3HG1 VAL 1 2HG1 VAL 1 -9.518 -16.355 11.886 9 1HG2 VAL 1 3HG2 VAL 1 -8.976 -15.502 8.226 10 2HG2 VAL 1 2HG2 VAL 1 -10.011 -16.487 9.256 11 3HG2 VAL 1 1HG2 VAL 1 -10.028 -14.731 9.412 12 H ASP 2 H ASP 2 -4.639 -14.493 9.950 13 HA ASP 2 HA ASP 2 -4.300 -16.059 7.466 14 1HB ASP 2 2HB ASP 2 -3.147 -14.163 6.324 15 2HB ASP 2 1HB ASP 2 -4.839 -13.815 6.644 16 H ASN 3 H ASN 3 -1.852 -16.177 6.907 17 HA ASN 3 HA ASN 3 -0.358 -16.918 9.310 18 1HB ASN 3 2HB ASN 3 0.413 -16.717 6.374 19 2HB ASN 3 1HB ASN 3 1.404 -17.474 7.616 20 1HD2 ASN 3 1HD2 ASN 3 0.050 -19.242 8.961 21 2HD2 ASN 3 2HD2 ASN 3 -0.919 -20.263 8.014 22 H LYS 4 H LYS 4 1.978 -16.090 9.592 23 HA LYS 4 HA LYS 4 2.023 -13.311 10.171 24 1HB LYS 4 2HB LYS 4 4.436 -13.658 10.537 25 2HB LYS 4 1HB LYS 4 3.512 -15.005 11.190 26 1HG LYS 4 2HG LYS 4 4.010 -16.296 9.098 27 2HG LYS 4 1HG LYS 4 5.019 -14.956 8.555 28 1HD LYS 4 2HD LYS 4 6.387 -15.203 10.635 29 2HD LYS 4 1HD LYS 4 5.443 -16.636 11.041 30 1HE LYS 4 2HE LYS 4 6.418 -16.766 8.291 31 2HE LYS 4 1HE LYS 4 7.751 -16.581 9.446 32 1HZ LYS 4 3HZ LYS 4 5.533 -18.555 9.687 33 2HZ LYS 4 2HZ LYS 4 7.113 -18.916 9.174 34 3HZ LYS 4 1HZ LYS 4 6.835 -18.383 10.763 35 H PHE 5 H PHE 5 3.346 -14.988 7.271 36 HA PHE 5 HA PHE 5 4.455 -12.638 6.077 37 1HB PHE 5 2HB PHE 5 3.618 -15.333 4.993 38 2HB PHE 5 1HB PHE 5 4.426 -14.121 4.007 39 HD1 PHE 5 HD1 PHE 5 6.055 -13.178 6.698 40 HD2 PHE 5 HD2 PHE 5 5.557 -16.851 4.517 41 HE1 PHE 5 HE1 PHE 5 8.246 -13.966 7.526 42 HE2 PHE 5 HE2 PHE 5 7.752 -17.636 5.358 43 HZ PHE 5 HZ PHE 5 9.093 -16.195 6.864 44 H ASN 6 H ASN 6 1.195 -14.093 5.877 45 HA ASN 6 HA ASN 6 0.198 -12.702 3.609 46 1HB ASN 6 2HB ASN 6 -1.027 -13.727 6.170 47 2HB ASN 6 1HB ASN 6 -2.023 -12.911 4.966 48 1HD2 ASN 6 1HD2 ASN 6 -1.475 -13.855 2.566 49 2HD2 ASN 6 2HD2 ASN 6 -1.430 -15.550 2.490 50 H LYS 7 H LYS 7 -0.132 -11.656 7.073 51 HA LYS 7 HA LYS 7 -1.006 -8.999 6.285 52 1HB LYS 7 2HB LYS 7 -1.722 -9.925 8.378 53 2HB LYS 7 1HB LYS 7 -0.041 -10.090 8.928 54 1HG LYS 7 2HG LYS 7 0.218 -7.634 8.793 55 2HG LYS 7 1HG LYS 7 -1.452 -7.492 8.238 56 1HD LYS 7 2HD LYS 7 -2.274 -8.423 10.297 57 2HD LYS 7 1HD LYS 7 -0.625 -8.741 10.852 58 1HE LYS 7 2HE LYS 7 -0.909 -6.699 11.910 59 2HE LYS 7 1HE LYS 7 -0.456 -6.063 10.319 60 1HZ LYS 7 1HZ LYS 7 -2.836 -6.137 9.701 61 2HZ LYS 7 3HZ LYS 7 -3.221 -6.604 11.288 62 3HZ LYS 7 2HZ LYS 7 -2.533 -5.078 10.994 63 H GLU 8 H GLU 8 2.171 -10.392 7.117 64 HA GLU 8 HA GLU 8 3.690 -8.014 7.480 65 1HB GLU 8 2HB GLU 8 4.227 -10.783 6.451 66 2HB GLU 8 1HB GLU 8 5.460 -9.549 6.203 67 1HG GLU 8 2HG GLU 8 5.574 -9.093 8.573 68 2HG GLU 8 1HG GLU 8 4.230 -10.199 8.894 69 H GLN 9 H GLN 9 2.588 -9.663 4.533 70 HA GLN 9 HA GLN 9 3.938 -8.030 2.654 71 1HB GLN 9 2HB GLN 9 1.415 -9.685 2.545 72 2HB GLN 9 1HB GLN 9 2.063 -8.843 1.150 73 1HG GLN 9 2HG GLN 9 4.109 -10.109 1.245 74 2HG GLN 9 1HG GLN 9 3.598 -10.905 2.731 75 1HE2 GLN 9 1HE2 GLN 9 1.946 -12.585 2.552 76 2HE2 GLN 9 2HE2 GLN 9 1.457 -13.197 1.049 77 H GLN 10 H GLN 10 0.545 -7.884 3.910 78 HA GLN 10 HA GLN 10 -0.042 -5.342 2.628 79 1HB GLN 10 2HB GLN 10 -1.716 -5.276 4.746 80 2HB GLN 10 1HB GLN 10 -2.094 -5.975 3.212 81 1HG GLN 10 2HG GLN 10 -0.778 -7.892 4.961 82 2HG GLN 10 1HG GLN 10 -2.193 -7.206 5.706 83 1HE2 GLN 10 1HE2 GLN 10 -2.455 -9.860 5.157 84 2HE2 GLN 10 2HE2 GLN 10 -3.427 -10.111 3.792 85 H ASN 11 H ASN 11 1.348 -6.113 5.804 86 HA ASN 11 HA ASN 11 1.210 -3.404 6.804 87 1HB ASN 11 2HB ASN 11 1.806 -5.724 7.959 88 2HB ASN 11 1HB ASN 11 3.453 -5.314 7.470 89 1HD2 ASN 11 1HD2 ASN 11 4.528 -3.584 8.594 90 2HD2 ASN 11 2HD2 ASN 11 3.834 -2.786 9.920 91 H ALA 12 H ALA 12 3.765 -5.282 5.137 92 HA ALA 12 HA ALA 12 5.657 -3.124 4.843 93 1HB ALA 12 3HB ALA 12 5.132 -5.823 3.595 94 2HB ALA 12 1HB ALA 12 6.535 -5.282 4.539 95 3HB ALA 12 2HB ALA 12 6.333 -4.741 2.866 96 H PHE 13 H PHE 13 3.110 -4.468 2.729 97 HA PHE 13 HA PHE 13 3.376 -2.852 0.408 98 1HB PHE 13 2HB PHE 13 1.842 -4.785 0.516 99 2HB PHE 13 1HB PHE 13 0.979 -4.074 1.862 100 HD1 PHE 13 HD1 PHE 13 2.103 -2.547 -1.350 101 HD2 PHE 13 HD2 PHE 13 -1.191 -3.691 1.133 102 HE1 PHE 13 HE1 PHE 13 0.532 -1.565 -2.972 103 HE2 PHE 13 HE2 PHE 13 -2.762 -2.691 -0.481 104 HZ PHE 13 HZ PHE 13 -1.902 -1.634 -2.526 105 H TYR 14 H TYR 14 1.235 -2.412 3.194 106 HA TYR 14 HA TYR 14 0.185 0.141 2.720 107 1HB TYR 14 2HB TYR 14 -0.451 -1.547 4.410 108 2HB TYR 14 1HB TYR 14 0.994 -1.134 5.332 109 HD1 TYR 14 HD1 TYR 14 -2.181 0.196 3.982 110 HD2 TYR 14 HD2 TYR 14 1.079 0.838 6.673 111 HE1 TYR 14 HE1 TYR 14 -3.437 1.897 5.039 112 HE2 TYR 14 HE2 TYR 14 -0.196 2.663 7.751 113 HH TYR 14 HH TYR 14 -2.071 4.173 7.252 114 H GLU 15 H GLU 15 3.022 -0.707 4.804 115 HA GLU 15 HA GLU 15 3.795 1.964 5.419 116 1HB GLU 15 2HB GLU 15 5.371 -0.619 5.195 117 2HB GLU 15 1HB GLU 15 6.029 0.870 5.875 118 1HG GLU 15 2HG GLU 15 3.580 -0.605 6.920 119 2HG GLU 15 1HG GLU 15 5.172 -0.628 7.660 120 H ILE 16 H ILE 16 4.804 -0.169 2.677 121 HA ILE 16 HA ILE 16 6.667 1.612 1.428 122 HB ILE 16 HB ILE 16 4.848 -0.639 0.607 123 1HG1 ILE 16 2HG1 ILE 16 7.679 -0.494 -0.222 124 2HG1 ILE 16 1HG1 ILE 16 7.425 -0.412 1.516 125 1HG2 ILE 16 1HG2 ILE 16 4.614 0.916 -1.299 126 2HG2 ILE 16 3HG2 ILE 16 6.372 1.008 -1.425 127 3HG2 ILE 16 2HG2 ILE 16 5.541 -0.519 -1.742 128 1HD1 ILE 16 2HD1 ILE 16 5.820 -2.463 0.128 129 2HD1 ILE 16 1HD1 ILE 16 7.582 -2.732 0.107 130 3HD1 ILE 16 3HD1 ILE 16 6.734 -2.556 1.643 131 H LEU 17 H LEU 17 3.114 1.366 1.038 132 HA LEU 17 HA LEU 17 2.828 3.653 -0.748 133 1HB LEU 17 2HB LEU 17 0.851 2.314 1.139 134 2HB LEU 17 1HB LEU 17 0.420 3.427 -0.157 135 HG LEU 17 HG LEU 17 2.118 1.248 -1.088 136 1HD1 LEU 17 2HD1 LEU 17 0.279 0.454 0.810 137 2HD1 LEU 17 1HD1 LEU 17 -0.575 0.220 -0.725 138 3HD1 LEU 17 3HD1 LEU 17 0.981 -0.551 -0.449 139 1HD2 LEU 17 3HD2 LEU 17 0.500 2.916 -2.329 140 2HD2 LEU 17 2HD2 LEU 17 0.714 1.245 -2.894 141 3HD2 LEU 17 1HD2 LEU 17 -0.704 1.662 -1.909 142 H HIS 18 H HIS 18 2.678 3.295 2.819 143 HA HIS 18 HA HIS 18 1.869 6.100 3.210 144 1HB HIS 18 2HB HIS 18 2.431 3.729 5.002 145 2HB HIS 18 1HB HIS 18 2.106 5.328 5.667 146 HD1 HIS 18 HD1 HIS 18 -0.334 6.178 5.588 147 HD2 HIS 18 HD2 HIS 18 0.139 2.529 3.659 148 HE1 HIS 18 HE1 HIS 18 -2.650 5.264 5.008 149 H LEU 19 H LEU 19 4.896 4.812 2.482 150 HA LEU 19 HA LEU 19 6.525 6.229 4.451 151 1HB LEU 19 2HB LEU 19 6.965 4.734 1.877 152 2HB LEU 19 1HB LEU 19 8.260 5.769 2.471 153 HG LEU 19 HG LEU 19 6.924 3.612 4.134 154 1HD1 LEU 19 3HD1 LEU 19 9.354 3.564 2.360 155 2HD1 LEU 19 2HD1 LEU 19 9.294 2.546 3.802 156 3HD1 LEU 19 1HD1 LEU 19 8.083 2.357 2.534 157 1HD2 LEU 19 3HD2 LEU 19 8.404 5.783 4.965 158 2HD2 LEU 19 2HD2 LEU 19 8.220 4.276 5.859 159 3HD2 LEU 19 1HD2 LEU 19 9.628 4.521 4.825 160 HA PRO 20 HA PRO 20 5.715 10.226 2.630 161 1HB PRO 20 2HB PRO 20 7.605 11.633 4.039 162 2HB PRO 20 1HB PRO 20 6.032 11.139 4.700 163 1HG PRO 20 2HG PRO 20 8.701 9.830 4.998 164 2HG PRO 20 1HG PRO 20 7.463 10.149 6.225 165 1HD PRO 20 1HD PRO 20 7.744 7.722 5.145 166 2HD PRO 20 2HD PRO 20 6.140 8.371 5.547 167 H ASN 21 H ASN 21 8.869 8.612 2.297 168 HA ASN 21 HA ASN 21 9.582 10.675 0.231 169 1HB ASN 21 2HB ASN 21 11.317 8.946 2.008 170 2HB ASN 21 1HB ASN 21 11.942 9.999 0.742 171 1HD2 ASN 21 1HD2 ASN 21 10.668 9.944 4.009 172 2HD2 ASN 21 2HD2 ASN 21 10.791 11.612 4.288 173 H LEU 22 H LEU 22 8.162 7.744 0.195 174 HA LEU 22 HA LEU 22 9.932 6.444 -1.793 175 1HB LEU 22 2HB LEU 22 7.367 5.737 -0.371 176 2HB LEU 22 1HB LEU 22 7.803 4.866 -1.835 177 HG LEU 22 HG LEU 22 9.110 4.826 0.863 178 1HD1 LEU 22 2HD1 LEU 22 8.392 2.866 -1.311 179 2HD1 LEU 22 1HD1 LEU 22 9.482 2.408 0.003 180 3HD1 LEU 22 3HD1 LEU 22 7.826 2.908 0.361 181 1HD2 LEU 22 2HD2 LEU 22 10.582 4.444 -1.765 182 2HD2 LEU 22 1HD2 LEU 22 10.991 5.566 -0.446 183 3HD2 LEU 22 3HD2 LEU 22 11.164 3.820 -0.219 184 H ASN 23 H ASN 23 9.546 6.410 -3.961 185 HA ASN 23 HA ASN 23 7.361 8.203 -4.974 186 1HB ASN 23 2HB ASN 23 8.874 8.305 -7.031 187 2HB ASN 23 1HB ASN 23 9.502 9.051 -5.580 188 1HD2 ASN 23 1HD2 ASN 23 11.554 8.317 -4.858 189 2HD2 ASN 23 2HD2 ASN 23 12.338 6.945 -5.478 190 H GLU 24 H GLU 24 7.030 7.512 -7.499 191 HA GLU 24 HA GLU 24 5.434 5.150 -7.452 192 1HB GLU 24 2HB GLU 24 5.042 6.931 -9.040 193 2HB GLU 24 1HB GLU 24 6.675 6.802 -9.683 194 1HG GLU 24 2HG GLU 24 5.159 5.755 -11.260 195 2HG GLU 24 1HG GLU 24 6.106 4.484 -10.497 196 H GLU 25 H GLU 25 8.813 5.622 -8.515 197 HA GLU 25 HA GLU 25 9.160 2.993 -9.667 198 1HB GLU 25 2HB GLU 25 10.561 5.016 -10.098 199 2HB GLU 25 1HB GLU 25 11.189 4.902 -8.457 200 1HG GLU 25 2HG GLU 25 12.034 2.605 -8.981 201 2HG GLU 25 1HG GLU 25 11.503 2.828 -10.647 202 H GLN 26 H GLN 26 10.040 4.303 -6.421 203 HA GLN 26 HA GLN 26 11.001 1.720 -5.440 204 1HB GLN 26 2HB GLN 26 10.265 4.287 -4.008 205 2HB GLN 26 1HB GLN 26 11.146 2.944 -3.288 206 1HG GLN 26 2HG GLN 26 12.055 4.765 -5.531 207 2HG GLN 26 1HG GLN 26 12.795 4.547 -3.954 208 1HE2 GLN 26 1HE2 GLN 26 13.636 3.962 -6.967 209 2HE2 GLN 26 2HE2 GLN 26 14.339 2.423 -6.843 210 H ARG 27 H ARG 27 8.109 3.669 -4.658 211 HA ARG 27 HA ARG 27 6.859 1.947 -2.805 212 1HB ARG 27 2HB ARG 27 6.367 4.348 -3.677 213 2HB ARG 27 1HB ARG 27 5.420 3.561 -4.924 214 1HG ARG 27 2HG ARG 27 4.940 2.978 -2.019 215 2HG ARG 27 1HG ARG 27 4.245 4.389 -2.794 216 1HD ARG 27 2HD ARG 27 3.611 1.489 -3.248 217 2HD ARG 27 1HD ARG 27 2.513 2.863 -3.074 218 HE ARG 27 HE ARG 27 3.521 1.894 -5.568 219 1HH1 ARG 27 1HH1 ARG 27 4.092 3.363 -7.287 220 2HH1 ARG 27 2HH1 ARG 27 3.421 4.955 -7.236 221 1HH2 ARG 27 1HH2 ARG 27 2.241 4.655 -4.010 222 2HH2 ARG 27 2HH2 ARG 27 2.383 5.688 -5.384 223 H ASN 28 H ASN 28 6.208 2.100 -6.380 224 HA ASN 28 HA ASN 28 4.363 -0.136 -6.412 225 1HB ASN 28 2HB ASN 28 4.398 1.678 -8.058 226 2HB ASN 28 1HB ASN 28 5.987 1.182 -8.575 227 1HD2 ASN 28 1HD2 ASN 28 5.717 0.252 -10.625 228 2HD2 ASN 28 2HD2 ASN 28 4.546 -0.921 -10.997 229 H ALA 29 H ALA 29 7.853 0.137 -7.206 230 HA ALA 29 HA ALA 29 8.294 -2.512 -8.186 231 1HB ALA 29 2HB ALA 29 9.871 -0.612 -8.224 232 2HB ALA 29 3HB ALA 29 10.606 -2.053 -7.515 233 3HB ALA 29 1HB ALA 29 10.046 -0.745 -6.471 234 H PHE 30 H PHE 30 8.145 -1.205 -4.893 235 HA PHE 30 HA PHE 30 8.928 -3.580 -3.481 236 1HB PHE 30 2HB PHE 30 7.371 -1.069 -2.881 237 2HB PHE 30 1HB PHE 30 7.545 -2.332 -1.664 238 HD1 PHE 30 HD1 PHE 30 10.375 -3.209 -2.866 239 HD2 PHE 30 HD2 PHE 30 8.713 0.508 -1.506 240 HE1 PHE 30 HE1 PHE 30 12.612 -2.430 -2.292 241 HE2 PHE 30 HE2 PHE 30 10.985 1.289 -0.930 242 HZ PHE 30 HZ PHE 30 12.925 -0.231 -1.312 243 H ILE 31 H ILE 31 5.807 -2.275 -4.482 244 HA ILE 31 HA ILE 31 4.199 -4.390 -3.375 245 HB ILE 31 HB ILE 31 3.845 -2.388 -5.615 246 1HG1 ILE 31 2HG1 ILE 31 2.585 -2.424 -2.908 247 2HG1 ILE 31 1HG1 ILE 31 4.197 -1.768 -3.116 248 1HG2 ILE 31 1HG2 ILE 31 2.187 -4.633 -4.849 249 2HG2 ILE 31 3HG2 ILE 31 1.369 -3.091 -4.621 250 3HG2 ILE 31 2HG2 ILE 31 2.010 -3.518 -6.203 251 1HD1 ILE 31 1HD1 ILE 31 1.768 -0.873 -4.686 252 2HD1 ILE 31 3HD1 ILE 31 2.392 -0.057 -3.237 253 3HD1 ILE 31 2HD1 ILE 31 3.394 -0.138 -4.690 254 H GLN 32 H GLN 32 6.144 -4.114 -6.371 255 HA GLN 32 HA GLN 32 5.003 -6.484 -7.670 256 1HB GLN 32 2HB GLN 32 7.575 -4.891 -7.994 257 2HB GLN 32 1HB GLN 32 7.147 -6.241 -9.042 258 1HG GLN 32 2HG GLN 32 5.082 -5.112 -9.692 259 2HG GLN 32 1HG GLN 32 5.441 -3.770 -8.615 260 1HE2 GLN 32 1HE2 GLN 32 6.411 -5.338 -11.661 261 2HE2 GLN 32 2HE2 GLN 32 7.358 -4.044 -12.217 262 H SER 33 H SER 33 8.041 -5.847 -5.839 263 HA SER 33 HA SER 33 8.946 -8.587 -5.675 264 1HB SER 33 2HB SER 33 10.366 -7.580 -3.826 265 2HB SER 33 1HB SER 33 10.495 -6.803 -5.399 266 HG SER 33 HG SER 33 9.993 -5.079 -4.304 267 H LEU 34 H LEU 34 6.742 -6.670 -3.731 268 HA LEU 34 HA LEU 34 6.627 -8.503 -1.453 269 1HB LEU 34 2HB LEU 34 6.398 -6.004 -1.448 270 2HB LEU 34 1HB LEU 34 4.875 -6.175 -2.308 271 HG LEU 34 HG LEU 34 4.215 -7.725 -0.315 272 1HD1 LEU 34 2HD1 LEU 34 6.544 -6.147 0.780 273 2HD1 LEU 34 1HD1 LEU 34 5.333 -6.940 1.788 274 3HD1 LEU 34 3HD1 LEU 34 6.368 -7.900 0.731 275 1HD2 LEU 34 1HD2 LEU 34 3.846 -5.040 -0.904 276 2HD2 LEU 34 3HD2 LEU 34 2.992 -5.958 0.333 277 3HD2 LEU 34 2HD2 LEU 34 4.417 -5.017 0.765 278 H LYS 35 H LYS 35 4.365 -7.644 -4.153 279 HA LYS 35 HA LYS 35 2.259 -9.447 -3.373 280 1HB LYS 35 2HB LYS 35 2.986 -7.840 -5.791 281 2HB LYS 35 1HB LYS 35 1.845 -9.126 -6.040 282 1HG LYS 35 2HG LYS 35 0.897 -7.970 -3.746 283 2HG LYS 35 1HG LYS 35 1.457 -6.594 -4.696 284 1HD LYS 35 2HD LYS 35 -0.113 -6.913 -6.331 285 2HD LYS 35 1HD LYS 35 -0.067 -8.670 -6.181 286 1HE LYS 35 2HE LYS 35 -1.123 -7.348 -3.770 287 2HE LYS 35 1HE LYS 35 -2.105 -7.058 -5.216 288 1HZ LYS 35 2HZ LYS 35 -1.124 -9.725 -4.325 289 2HZ LYS 35 1HZ LYS 35 -2.705 -9.148 -4.103 290 3HZ LYS 35 3HZ LYS 35 -2.120 -9.423 -5.670 291 H ASP 36 H ASP 36 5.244 -9.955 -5.203 292 HA ASP 36 HA ASP 36 4.449 -12.707 -5.986 293 1HB ASP 36 2HB ASP 36 6.787 -10.870 -6.532 294 2HB ASP 36 1HB ASP 36 6.824 -12.568 -7.006 295 H ASP 37 H ASP 37 6.669 -11.081 -3.661 296 HA ASP 37 HA ASP 37 7.418 -13.797 -2.609 297 1HB ASP 37 2HB ASP 37 9.135 -12.091 -3.672 298 2HB ASP 37 1HB ASP 37 9.041 -11.318 -2.088 299 HA PRO 38 HA PRO 38 4.978 -12.131 0.868 300 1HB PRO 38 2HB PRO 38 4.619 -14.558 2.077 301 2HB PRO 38 1HB PRO 38 3.638 -14.006 0.707 302 1HG PRO 38 2HG PRO 38 5.985 -15.840 0.713 303 2HG PRO 38 1HG PRO 38 4.441 -15.987 -0.143 304 1HD PRO 38 1HD PRO 38 6.669 -15.127 -1.370 305 2HD PRO 38 2HD PRO 38 5.054 -14.510 -1.788 306 H SER 39 H SER 39 7.785 -14.347 1.052 307 HA SER 39 HA SER 39 8.316 -13.921 3.879 308 1HB SER 39 2HB SER 39 9.997 -14.989 1.591 309 2HB SER 39 1HB SER 39 10.448 -15.099 3.290 310 HG SER 39 HG SER 39 8.531 -16.485 1.845 311 H GLN 40 H GLN 40 9.504 -12.312 0.905 312 HA GLN 40 HA GLN 40 11.608 -10.831 2.318 313 1HB GLN 40 2HB GLN 40 11.204 -11.579 -0.249 314 2HB GLN 40 1HB GLN 40 10.549 -9.941 -0.329 315 1HG GLN 40 2HG GLN 40 12.759 -9.314 0.960 316 2HG GLN 40 1HG GLN 40 13.345 -10.835 0.292 317 1HE2 GLN 40 1HE2 GLN 40 13.111 -7.539 -0.397 318 2HE2 GLN 40 2HE2 GLN 40 13.254 -7.623 -2.087 319 H SER 41 H SER 41 8.253 -10.421 2.385 320 HA SER 41 HA SER 41 7.770 -7.715 1.820 321 1HB SER 41 2HB SER 41 6.606 -9.381 4.085 322 2HB SER 41 1HB SER 41 5.833 -8.002 3.309 323 HG SER 41 HG SER 41 5.863 -10.567 2.564 324 H ALA 42 H ALA 42 8.793 -9.010 5.065 325 HA ALA 42 HA ALA 42 8.787 -6.454 6.378 326 1HB ALA 42 2HB ALA 42 10.660 -8.804 6.710 327 2HB ALA 42 3HB ALA 42 9.072 -8.660 7.477 328 3HB ALA 42 1HB ALA 42 10.367 -7.538 7.906 329 H ASN 43 H ASN 43 11.433 -8.208 4.697 330 HA ASN 43 HA ASN 43 13.508 -6.260 4.913 331 1HB ASN 43 2HB ASN 43 12.752 -8.514 3.124 332 2HB ASN 43 1HB ASN 43 13.940 -7.366 2.493 333 1HD2 ASN 43 1HD2 ASN 43 15.796 -6.870 4.219 334 2HD2 ASN 43 2HD2 ASN 43 16.372 -8.213 5.082 335 H LEU 44 H LEU 44 10.852 -6.708 2.590 336 HA LEU 44 HA LEU 44 11.549 -4.630 0.750 337 1HB LEU 44 2HB LEU 44 9.049 -6.097 1.509 338 2HB LEU 44 1HB LEU 44 9.001 -4.795 0.317 339 HG LEU 44 HG LEU 44 10.853 -7.173 0.211 340 1HD1 LEU 44 3HD1 LEU 44 8.184 -7.185 -0.227 341 2HD1 LEU 44 2HD1 LEU 44 8.770 -6.742 -1.833 342 3HD1 LEU 44 1HD1 LEU 44 9.319 -8.240 -1.073 343 1HD2 LEU 44 1HD2 LEU 44 10.800 -4.547 -1.049 344 2HD2 LEU 44 3HD2 LEU 44 12.018 -5.833 -1.144 345 3HD2 LEU 44 2HD2 LEU 44 10.645 -5.861 -2.263 346 H LEU 45 H LEU 45 9.483 -4.676 3.649 347 HA LEU 45 HA LEU 45 8.840 -1.854 3.364 348 1HB LEU 45 2HB LEU 45 7.451 -3.178 4.735 349 2HB LEU 45 1HB LEU 45 8.810 -3.825 5.648 350 HG LEU 45 HG LEU 45 9.210 -1.703 6.703 351 1HD1 LEU 45 2HD1 LEU 45 7.237 -0.663 4.655 352 2HD1 LEU 45 1HD1 LEU 45 7.644 0.246 6.104 353 3HD1 LEU 45 3HD1 LEU 45 8.897 -0.133 4.927 354 1HD2 LEU 45 1HD2 LEU 45 7.353 -3.082 7.588 355 2HD2 LEU 45 3HD2 LEU 45 7.091 -1.362 7.874 356 3HD2 LEU 45 2HD2 LEU 45 6.222 -2.185 6.577 357 H ALA 46 H ALA 46 11.312 -3.689 5.260 358 HA ALA 46 HA ALA 46 12.667 -1.491 6.482 359 1HB ALA 46 3HB ALA 46 13.431 -4.203 5.373 360 2HB ALA 46 2HB ALA 46 14.714 -3.108 5.912 361 3HB ALA 46 1HB ALA 46 13.463 -3.636 7.052 362 H GLU 47 H GLU 47 13.215 -2.897 3.178 363 HA GLU 47 HA GLU 47 15.298 -0.995 2.557 364 1HB GLU 47 2HB GLU 47 15.027 -1.841 0.231 365 2HB GLU 47 1HB GLU 47 15.243 -3.121 1.412 366 1HG GLU 47 2HG GLU 47 12.721 -3.307 1.403 367 2HG GLU 47 1HG GLU 47 12.778 -2.304 -0.047 368 H ALA 48 H ALA 48 11.726 -1.071 2.109 369 HA ALA 48 HA ALA 48 11.573 1.402 0.627 370 1HB ALA 48 2HB ALA 48 9.908 -0.532 1.185 371 2HB ALA 48 1HB ALA 48 9.602 0.391 2.665 372 3HB ALA 48 3HB ALA 48 9.273 1.109 1.080 373 H LYS 49 H LYS 49 11.713 0.590 4.103 374 HA LYS 49 HA LYS 49 11.303 3.209 5.252 375 1HB LYS 49 2HB LYS 49 12.677 0.637 6.085 376 2HB LYS 49 1HB LYS 49 12.538 1.981 7.188 377 1HG LYS 49 2HG LYS 49 10.279 0.433 5.918 378 2HG LYS 49 1HG LYS 49 10.762 0.377 7.604 379 1HD LYS 49 2HD LYS 49 10.309 2.904 7.615 380 2HD LYS 49 1HD LYS 49 9.468 2.619 6.089 381 1HE LYS 49 2HE LYS 49 7.682 1.701 7.138 382 2HE LYS 49 1HE LYS 49 8.725 0.659 8.125 383 1HZ LYS 49 1HZ LYS 49 8.265 3.565 8.604 384 2HZ LYS 49 3HZ LYS 49 7.518 2.315 9.470 385 3HZ LYS 49 2HZ LYS 49 9.202 2.525 9.569 386 H LYS 50 H LYS 50 14.024 1.267 4.225 387 HA LYS 50 HA LYS 50 16.240 2.928 4.932 388 1HB LYS 50 2HB LYS 50 16.648 0.654 4.481 389 2HB LYS 50 1HB LYS 50 15.552 0.643 3.119 390 1HG LYS 50 2HG LYS 50 17.390 2.246 2.051 391 2HG LYS 50 1HG LYS 50 18.430 1.413 3.209 392 1HD LYS 50 2HD LYS 50 16.550 -0.062 1.322 393 2HD LYS 50 1HD LYS 50 18.238 0.293 0.919 394 1HE LYS 50 2HE LYS 50 18.911 -0.903 3.062 395 2HE LYS 50 1HE LYS 50 17.219 -1.421 3.219 396 1HZ LYS 50 3HZ LYS 50 17.352 -2.339 0.960 397 2HZ LYS 50 2HZ LYS 50 18.994 -1.908 0.874 398 3HZ LYS 50 1HZ LYS 50 18.475 -3.074 1.994 399 H LEU 51 H LEU 51 14.194 2.652 2.020 400 HA LEU 51 HA LEU 51 15.618 4.615 0.416 401 1HB LEU 51 2HB LEU 51 13.111 3.020 0.372 402 2HB LEU 51 1HB LEU 51 13.078 4.500 -0.575 403 HG LEU 51 HG LEU 51 14.704 3.758 -2.043 404 1HD1 LEU 51 3HD1 LEU 51 15.651 2.049 0.239 405 2HD1 LEU 51 2HD1 LEU 51 16.062 1.595 -1.414 406 3HD1 LEU 51 1HD1 LEU 51 16.578 3.159 -0.773 407 1HD2 LEU 51 3HD2 LEU 51 13.048 1.498 -1.014 408 2HD2 LEU 51 2HD2 LEU 51 12.929 2.361 -2.549 409 3HD2 LEU 51 1HD2 LEU 51 14.230 1.195 -2.290 410 H ASN 52 H ASN 52 12.871 4.686 2.641 411 HA ASN 52 HA ASN 52 11.800 7.239 2.143 412 1HB ASN 52 2HB ASN 52 10.939 5.360 3.602 413 2HB ASN 52 1HB ASN 52 12.110 5.857 4.823 414 1HD2 ASN 52 1HD2 ASN 52 11.420 7.446 6.248 415 2HD2 ASN 52 2HD2 ASN 52 10.083 8.460 5.997 416 H ASP 53 H ASP 53 14.588 6.295 4.183 417 HA ASP 53 HA ASP 53 15.056 9.112 5.007 418 1HB ASP 53 2HB ASP 53 15.300 7.135 6.525 419 2HB ASP 53 1HB ASP 53 16.655 6.596 5.534 420 H ALA 54 H ALA 54 16.680 6.591 3.023 421 HA ALA 54 HA ALA 54 19.027 8.089 2.330 422 1HB ALA 54 1HB ALA 54 17.522 6.015 0.696 423 2HB ALA 54 2HB ALA 54 18.596 5.625 2.040 424 3HB ALA 54 3HB ALA 54 19.243 6.391 0.588 425 H GLN 55 H GLN 55 15.938 7.668 0.540 426 HA GLN 55 HA GLN 55 16.567 9.608 -1.533 427 1HB GLN 55 2HB GLN 55 13.952 8.411 -0.572 428 2HB GLN 55 1HB GLN 55 14.140 9.347 -2.052 429 1HG GLN 55 2HG GLN 55 15.873 7.674 -2.808 430 2HG GLN 55 1HG GLN 55 15.463 6.691 -1.401 431 1HE2 GLN 55 1HE2 GLN 55 12.728 6.752 -1.271 432 2HE2 GLN 55 2HE2 GLN 55 12.031 6.181 -2.710 433 H ALA 56 H ALA 56 15.117 9.787 1.695 434 HA ALA 56 HA ALA 56 13.736 12.274 1.544 435 1HB ALA 56 2HB ALA 56 14.940 10.552 3.641 436 2HB ALA 56 3HB ALA 56 13.335 11.278 3.564 437 3HB ALA 56 1HB ALA 56 14.712 12.246 4.082 438 HA PRO 57 HA PRO 57 16.905 15.281 1.304 439 1HB PRO 57 2HB PRO 57 15.664 17.385 2.535 440 2HB PRO 57 1HB PRO 57 15.230 16.820 0.909 441 1HG PRO 57 2HG PRO 57 13.892 16.290 3.511 442 2HG PRO 57 1HG PRO 57 13.180 16.621 1.923 443 1HD PRO 57 1HD PRO 57 13.369 14.122 2.992 444 2HD PRO 57 2HD PRO 57 13.365 14.439 1.242 445 H LYS 58 H LYS 58 18.595 16.136 2.588 446 HA LYS 58 HA LYS 58 18.409 15.749 5.561 447 1HB LYS 58 2HB LYS 58 20.688 15.006 3.682 448 2HB LYS 58 1HB LYS 58 20.754 14.886 5.440 449 1HG LYS 58 2HG LYS 58 18.674 13.448 3.775 450 2HG LYS 58 1HG LYS 58 20.207 12.718 4.251 451 1HD LYS 58 2HD LYS 58 19.654 13.195 6.634 452 2HD LYS 58 1HD LYS 58 18.078 13.796 6.123 453 1HE LYS 58 2HE LYS 58 18.877 11.064 5.176 454 2HE LYS 58 1HE LYS 58 18.385 11.245 6.871 455 1HZ LYS 58 3HZ LYS 58 16.847 12.246 4.526 456 2HZ LYS 58 2HZ LYS 58 16.473 10.847 5.411 457 3HZ LYS 58 1HZ LYS 58 16.377 12.371 6.152 458 H1 VAL 1 2H VAL 1 -6.126 -12.858 -18.497 459 H2 VAL 1 1H VAL 1 -7.723 -13.363 -18.210 460 H3 VAL 1 3H VAL 1 -7.408 -11.757 -18.652 461 HA VAL 1 HA VAL 1 -7.856 -11.828 -16.300 462 HB VAL 1 HB VAL 1 -7.187 -14.302 -16.273 463 1HG1 VAL 1 3HG1 VAL 1 -4.895 -13.941 -17.244 464 2HG1 VAL 1 2HG1 VAL 1 -4.423 -13.174 -15.727 465 3HG1 VAL 1 1HG1 VAL 1 -4.889 -14.874 -15.749 466 1HG2 VAL 1 3HG2 VAL 1 -7.743 -12.914 -14.240 467 2HG2 VAL 1 2HG2 VAL 1 -6.661 -14.269 -13.918 468 3HG2 VAL 1 1HG2 VAL 1 -6.015 -12.633 -14.031 469 H ASP 2 H ASP 2 -6.680 -10.433 -14.817 470 HA ASP 2 HA ASP 2 -4.619 -8.786 -16.122 471 1HB ASP 2 2HB ASP 2 -6.498 -7.844 -14.790 472 2HB ASP 2 1HB ASP 2 -5.882 -8.665 -13.359 473 H ASN 3 H ASN 3 -2.486 -9.294 -15.974 474 HA ASN 3 HA ASN 3 -1.511 -10.849 -13.600 475 1HB ASN 3 2HB ASN 3 -0.498 -10.601 -16.459 476 2HB ASN 3 1HB ASN 3 0.321 -11.524 -15.201 477 1HD2 ASN 3 1HD2 ASN 3 -1.228 -13.236 -14.073 478 2HD2 ASN 3 2HD2 ASN 3 -2.280 -14.071 -15.113 479 H LYS 4 H LYS 4 -1.892 -8.075 -13.353 480 HA LYS 4 HA LYS 4 0.840 -7.161 -12.729 481 1HB LYS 4 2HB LYS 4 0.645 -5.148 -14.173 482 2HB LYS 4 1HB LYS 4 0.571 -6.625 -15.128 483 1HG LYS 4 2HG LYS 4 -2.059 -6.325 -14.705 484 2HG LYS 4 1HG LYS 4 -1.589 -4.637 -14.529 485 1HD LYS 4 2HD LYS 4 -1.995 -4.778 -16.825 486 2HD LYS 4 1HD LYS 4 -0.257 -5.057 -16.754 487 1HE LYS 4 2HE LYS 4 -0.904 -6.856 -18.095 488 2HE LYS 4 1HE LYS 4 -1.043 -7.610 -16.495 489 1HZ LYS 4 2HZ LYS 4 -3.373 -6.916 -16.418 490 2HZ LYS 4 1HZ LYS 4 -3.240 -6.241 -17.973 491 3HZ LYS 4 3HZ LYS 4 -3.085 -7.915 -17.761 492 H PHE 5 H PHE 5 -1.417 -7.714 -11.038 493 HA PHE 5 HA PHE 5 -3.000 -5.451 -10.345 494 1HB PHE 5 2HB PHE 5 -2.053 -7.940 -8.951 495 2HB PHE 5 1HB PHE 5 -3.023 -6.758 -8.096 496 HD1 PHE 5 HD1 PHE 5 -3.172 -9.652 -10.085 497 HD2 PHE 5 HD2 PHE 5 -5.175 -5.902 -9.457 498 HE1 PHE 5 HE1 PHE 5 -5.225 -10.569 -11.126 499 HE2 PHE 5 HE2 PHE 5 -7.223 -6.823 -10.502 500 HZ PHE 5 HZ PHE 5 -7.250 -9.156 -11.334 501 H ASN 6 H ASN 6 0.297 -6.278 -9.509 502 HA ASN 6 HA ASN 6 0.757 -4.665 -7.235 503 1HB ASN 6 2HB ASN 6 3.151 -4.637 -8.110 504 2HB ASN 6 1HB ASN 6 2.426 -6.234 -7.985 505 1HD2 ASN 6 1HD2 ASN 6 3.383 -3.704 -10.341 506 2HD2 ASN 6 2HD2 ASN 6 3.327 -4.725 -11.697 507 H LYS 7 H LYS 7 0.723 -3.744 -10.644 508 HA LYS 7 HA LYS 7 1.661 -1.048 -10.349 509 1HB LYS 7 2HB LYS 7 1.486 -2.384 -12.486 510 2HB LYS 7 1HB LYS 7 -0.267 -2.202 -12.389 511 1HG LYS 7 2HG LYS 7 0.482 -0.473 -13.861 512 2HG LYS 7 1HG LYS 7 0.126 0.325 -12.330 513 1HD LYS 7 2HD LYS 7 2.898 -0.667 -12.540 514 2HD LYS 7 1HD LYS 7 2.493 0.572 -13.725 515 1HE LYS 7 2HE LYS 7 1.765 0.963 -10.815 516 2HE LYS 7 1HE LYS 7 3.388 1.358 -11.402 517 1HZ LYS 7 3HZ LYS 7 2.347 2.698 -13.173 518 2HZ LYS 7 2HZ LYS 7 0.819 2.395 -12.491 519 3HZ LYS 7 1HZ LYS 7 1.977 3.282 -11.626 520 H GLU 8 H GLU 8 -1.554 -2.490 -10.205 521 HA GLU 8 HA GLU 8 -2.964 -0.005 -9.935 522 1HB GLU 8 2HB GLU 8 -3.562 -2.845 -9.895 523 2HB GLU 8 1HB GLU 8 -4.484 -1.979 -8.665 524 1HG GLU 8 2HG GLU 8 -4.297 -1.178 -11.575 525 2HG GLU 8 1HG GLU 8 -5.656 -2.032 -10.851 526 H LEU 9 H LEU 9 -1.430 -2.151 -7.584 527 HA LEU 9 HA LEU 9 -2.576 -0.849 -5.268 528 1HB LEU 9 2HB LEU 9 0.151 -2.129 -5.342 529 2HB LEU 9 1HB LEU 9 -0.917 -1.940 -4.008 530 HG LEU 9 HG LEU 9 -1.646 -3.666 -6.358 531 1HD1 LEU 9 2HD1 LEU 9 0.184 -4.135 -4.110 532 2HD1 LEU 9 1HD1 LEU 9 -1.138 -5.305 -4.147 533 3HD1 LEU 9 3HD1 LEU 9 -0.072 -5.133 -5.548 534 1HD2 LEU 9 2HD2 LEU 9 -3.526 -2.774 -4.969 535 2HD2 LEU 9 1HD2 LEU 9 -3.344 -4.526 -4.765 536 3HD2 LEU 9 3HD2 LEU 9 -2.742 -3.426 -3.526 537 H SER 10 H SER 10 0.054 -0.049 -7.447 538 HA SER 10 HA SER 10 1.417 1.851 -5.768 539 1HB SER 10 2HB SER 10 2.739 1.886 -7.609 540 2HB SER 10 1HB SER 10 1.655 0.715 -8.323 541 HG SER 10 HG SER 10 2.149 2.882 -9.399 542 H VAL 11 H VAL 11 -1.110 2.182 -8.275 543 HA VAL 11 HA VAL 11 -1.622 5.028 -7.730 544 HB VAL 11 HB VAL 11 -3.161 3.027 -9.434 545 1HG1 VAL 11 2HG1 VAL 11 -2.950 6.032 -9.353 546 2HG1 VAL 11 1HG1 VAL 11 -3.449 5.195 -10.823 547 3HG1 VAL 11 3HG1 VAL 11 -4.398 5.024 -9.347 548 1HG2 VAL 11 3HG2 VAL 11 -0.682 4.647 -10.119 549 2HG2 VAL 11 2HG2 VAL 11 -0.810 2.886 -10.077 550 3HG2 VAL 11 1HG2 VAL 11 -1.679 3.810 -11.309 551 H ALA 12 H ALA 12 -3.655 2.073 -7.594 552 HA ALA 12 HA ALA 12 -5.879 3.162 -6.190 553 1HB ALA 12 2HB ALA 12 -5.522 0.908 -7.479 554 2HB ALA 12 3HB ALA 12 -6.594 0.912 -6.080 555 3HB ALA 12 1HB ALA 12 -4.944 0.298 -5.920 556 H GLY 13 H GLY 13 -3.079 1.399 -4.961 557 1HA GLY 13 1HA GLY 13 -2.212 1.134 -2.827 558 2HA GLY 13 2HA GLY 13 -3.838 1.419 -2.214 559 H ARG 14 H ARG 14 -1.316 3.368 -3.830 560 HA ARG 14 HA ARG 14 -0.739 4.988 -1.593 561 1HB ARG 14 2HB ARG 14 0.431 4.707 -3.859 562 2HB ARG 14 1HB ARG 14 -0.635 5.982 -4.437 563 1HG ARG 14 2HG ARG 14 1.374 7.061 -3.694 564 2HG ARG 14 1HG ARG 14 0.150 7.378 -2.465 565 1HD ARG 14 2HD ARG 14 1.375 6.352 -0.889 566 2HD ARG 14 1HD ARG 14 1.568 4.903 -1.895 567 HE ARG 14 HE ARG 14 3.395 6.236 -3.107 568 1HH1 ARG 14 1HH1 ARG 14 4.916 5.310 -0.981 569 2HH1 ARG 14 2HH1 ARG 14 5.361 6.697 -0.046 570 1HH2 ARG 14 1HH2 ARG 14 2.904 8.746 -1.425 571 2HH2 ARG 14 2HH2 ARG 14 4.218 8.654 -0.299 572 H GLU 15 H GLU 15 -3.288 5.524 -4.098 573 HA GLU 15 HA GLU 15 -4.000 8.178 -3.167 574 1HB GLU 15 2HB GLU 15 -5.401 6.029 -4.758 575 2HB GLU 15 1HB GLU 15 -6.179 7.569 -4.392 576 1HG GLU 15 2HG GLU 15 -4.227 8.753 -5.415 577 2HG GLU 15 1HG GLU 15 -3.560 7.186 -5.873 578 H ILE 16 H ILE 16 -5.161 4.899 -2.335 579 HA ILE 16 HA ILE 16 -7.202 5.647 -0.426 580 HB ILE 16 HB ILE 16 -5.476 3.169 -0.868 581 1HG1 ILE 16 2HG1 ILE 16 -8.429 3.508 -1.385 582 2HG1 ILE 16 1HG1 ILE 16 -7.241 4.014 -2.577 583 1HG2 ILE 16 2HG2 ILE 16 -7.695 3.666 1.115 584 2HG2 ILE 16 1HG2 ILE 16 -7.425 2.046 0.453 585 3HG2 ILE 16 3HG2 ILE 16 -6.147 2.858 1.370 586 1HD1 ILE 16 1HD1 ILE 16 -6.343 1.509 -2.022 587 2HD1 ILE 16 3HD1 ILE 16 -8.075 1.294 -1.758 588 3HD1 ILE 16 2HD1 ILE 16 -7.487 1.879 -3.316 589 H VAL 17 H VAL 17 -3.700 5.340 -0.300 590 HA VAL 17 HA VAL 17 -3.324 5.496 2.593 591 HB VAL 17 HB VAL 17 -1.598 5.819 0.117 592 1HG1 VAL 17 2HG1 VAL 17 -0.937 6.591 2.844 593 2HG1 VAL 17 1HG1 VAL 17 0.179 5.402 2.173 594 3HG1 VAL 17 3HG1 VAL 17 -0.090 6.927 1.328 595 1HG2 VAL 17 1HG2 VAL 17 -2.357 3.589 1.835 596 2HG2 VAL 17 3HG2 VAL 17 -1.630 3.597 0.215 597 3HG2 VAL 17 2HG2 VAL 17 -0.606 3.748 1.637 598 H THR 18 H THR 18 -3.180 7.797 -0.148 599 HA THR 18 HA THR 18 -2.266 10.013 1.511 600 HB THR 18 HB THR 18 -2.339 11.234 -0.656 601 HG1 THR 18 HG1 THR 18 -3.910 10.417 -1.841 602 1HG2 THR 18 1HG2 THR 18 -0.981 8.591 -0.325 603 2HG2 THR 18 3HG2 THR 18 -0.827 9.435 -1.862 604 3HG2 THR 18 2HG2 THR 18 -0.285 10.209 -0.375 605 H LEU 19 H LEU 19 -5.587 9.000 0.569 606 HA LEU 19 HA LEU 19 -6.572 11.734 0.579 607 1HB LEU 19 2HB LEU 19 -8.759 10.750 0.681 608 2HB LEU 19 1HB LEU 19 -7.751 9.810 -0.398 609 HG LEU 19 HG LEU 19 -7.505 8.759 2.262 610 1HD1 LEU 19 3HD1 LEU 19 -10.292 9.091 1.158 611 2HD1 LEU 19 2HD1 LEU 19 -9.868 8.129 2.570 612 3HD1 LEU 19 1HD1 LEU 19 -9.653 9.887 2.595 613 1HD2 LEU 19 2HD2 LEU 19 -8.603 7.805 -0.388 614 2HD2 LEU 19 1HD2 LEU 19 -7.075 7.368 0.374 615 3HD2 LEU 19 3HD2 LEU 19 -8.594 6.774 1.043 616 HA PRO 20 HA PRO 20 -6.088 12.473 4.903 617 1HB PRO 20 2HB PRO 20 -6.900 15.074 4.850 618 2HB PRO 20 1HB PRO 20 -5.346 14.525 4.199 619 1HG PRO 20 2HG PRO 20 -7.760 15.401 2.782 620 2HG PRO 20 1HG PRO 20 -6.081 15.357 2.234 621 1HD PRO 20 1HD PRO 20 -8.172 13.486 1.643 622 2HD PRO 20 2HD PRO 20 -6.470 13.435 1.129 623 H ASN 21 H ASN 21 -9.258 12.997 3.365 624 HA ASN 21 HA ASN 21 -10.736 13.814 5.679 625 1HB ASN 21 2HB ASN 21 -11.327 12.516 3.054 626 2HB ASN 21 1HB ASN 21 -12.616 12.641 4.244 627 1HD2 ASN 21 1HD2 ASN 21 -13.738 14.185 2.814 628 2HD2 ASN 21 2HD2 ASN 21 -13.201 15.793 2.689 629 H LEU 22 H LEU 22 -9.772 10.567 4.567 630 HA LEU 22 HA LEU 22 -11.385 9.344 6.718 631 1HB LEU 22 2HB LEU 22 -11.571 7.704 5.241 632 2HB LEU 22 1HB LEU 22 -10.569 8.602 4.123 633 HG LEU 22 HG LEU 22 -9.257 6.912 6.234 634 1HD1 LEU 22 2HD1 LEU 22 -11.217 5.802 4.732 635 2HD1 LEU 22 1HD1 LEU 22 -9.860 5.650 3.615 636 3HD1 LEU 22 3HD1 LEU 22 -9.763 4.925 5.221 637 1HD2 LEU 22 2HD2 LEU 22 -8.103 8.485 4.473 638 2HD2 LEU 22 1HD2 LEU 22 -7.464 6.861 4.706 639 3HD2 LEU 22 3HD2 LEU 22 -8.496 7.204 3.325 640 H ASN 23 H ASN 23 -10.423 7.872 8.247 641 HA ASN 23 HA ASN 23 -7.915 9.025 9.332 642 1HB ASN 23 2HB ASN 23 -8.542 7.703 11.357 643 2HB ASN 23 1HB ASN 23 -9.813 8.785 10.808 644 1HD2 ASN 23 1HD2 ASN 23 -11.572 7.528 11.695 645 2HD2 ASN 23 2HD2 ASN 23 -11.974 5.989 11.104 646 H ASP 24 H ASP 24 -6.232 7.601 10.293 647 HA ASP 24 HA ASP 24 -5.013 5.966 8.375 648 1HB ASP 24 2HB ASP 24 -3.364 5.475 10.106 649 2HB ASP 24 1HB ASP 24 -3.832 7.169 10.140 650 HA PRO 25 HA PRO 25 -6.428 2.011 10.747 651 1HB PRO 25 2HB PRO 25 -8.980 2.052 11.766 652 2HB PRO 25 1HB PRO 25 -7.531 2.384 12.736 653 1HG PRO 25 2HG PRO 25 -9.455 4.289 11.498 654 2HG PRO 25 1HG PRO 25 -8.687 4.339 13.092 655 1HD PRO 25 1HD PRO 25 -7.824 5.849 11.040 656 2HD PRO 25 2HD PRO 25 -6.728 5.210 12.275 657 H GLN 26 H GLN 26 -8.924 4.085 9.151 658 HA GLN 26 HA GLN 26 -10.244 1.926 7.762 659 1HB GLN 26 2HB GLN 26 -10.040 4.926 7.404 660 2HB GLN 26 1HB GLN 26 -10.997 3.920 6.308 661 1HG GLN 26 2HG GLN 26 -12.362 3.108 8.119 662 2HG GLN 26 1HG GLN 26 -11.314 3.860 9.317 663 1HE2 GLN 26 1HE2 GLN 26 -13.715 4.703 9.772 664 2HE2 GLN 26 2HE2 GLN 26 -14.084 6.202 9.076 665 H LYS 27 H LYS 27 -7.744 4.293 6.579 666 HA LYS 27 HA LYS 27 -7.371 3.080 4.016 667 1HB LYS 27 2HB LYS 27 -4.989 4.053 4.243 668 2HB LYS 27 1HB LYS 27 -6.352 5.183 4.242 669 1HG LYS 27 2HG LYS 27 -6.198 5.133 6.794 670 2HG LYS 27 1HG LYS 27 -4.694 4.250 6.596 671 1HD LYS 27 2HD LYS 27 -3.859 6.403 6.664 672 2HD LYS 27 1HD LYS 27 -4.147 6.261 4.931 673 1HE LYS 27 2HE LYS 27 -5.753 7.871 4.971 674 2HE LYS 27 1HE LYS 27 -6.546 7.154 6.382 675 1HZ LYS 27 3HZ LYS 27 -4.759 8.070 7.777 676 2HZ LYS 27 2HZ LYS 27 -4.078 8.821 6.413 677 3HZ LYS 27 1HZ LYS 27 -5.613 9.290 6.968 678 H LYS 28 H LYS 28 -5.929 2.317 7.160 679 HA LYS 28 HA LYS 28 -3.909 0.478 6.350 680 1HB LYS 28 2HB LYS 28 -5.409 1.222 8.766 681 2HB LYS 28 1HB LYS 28 -5.077 -0.506 8.745 682 1HG LYS 28 2HG LYS 28 -2.852 1.320 8.008 683 2HG LYS 28 1HG LYS 28 -3.314 1.266 9.701 684 1HD LYS 28 2HD LYS 28 -2.682 -0.939 9.955 685 2HD LYS 28 1HD LYS 28 -3.028 -1.341 8.273 686 1HE LYS 28 2HE LYS 28 -0.954 -0.630 7.523 687 2HE LYS 28 1HE LYS 28 -0.778 0.565 8.819 688 1HZ LYS 28 3HZ LYS 28 -0.819 -2.364 9.328 689 2HZ LYS 28 2HZ LYS 28 0.617 -1.494 9.075 690 3HZ LYS 28 1HZ LYS 28 -0.376 -1.129 10.404 691 H ALA 29 H ALA 29 -7.219 -0.390 7.551 692 HA ALA 29 HA ALA 29 -7.191 -3.115 6.664 693 1HB ALA 29 1HB ALA 29 -9.663 -2.896 6.942 694 2HB ALA 29 2HB ALA 29 -9.479 -1.146 7.031 695 3HB ALA 29 3HB ALA 29 -8.787 -2.170 8.290 696 H PHE 30 H PHE 30 -7.951 -0.097 4.990 697 HA PHE 30 HA PHE 30 -9.232 -1.120 2.639 698 1HB PHE 30 2HB PHE 30 -8.249 1.349 3.728 699 2HB PHE 30 1HB PHE 30 -7.620 1.197 2.101 700 HD1 PHE 30 HD1 PHE 30 -10.515 1.893 4.125 701 HD2 PHE 30 HD2 PHE 30 -9.188 0.691 0.227 702 HE1 PHE 30 HE1 PHE 30 -12.722 2.514 3.191 703 HE2 PHE 30 HE2 PHE 30 -11.397 1.305 -0.702 704 HZ PHE 30 HZ PHE 30 -13.162 2.223 0.781 705 H ILE 31 H ILE 31 -5.829 -0.140 3.154 706 HA ILE 31 HA ILE 31 -4.856 -1.053 0.609 707 HB ILE 31 HB ILE 31 -3.728 -0.375 3.316 708 1HG1 ILE 31 2HG1 ILE 31 -3.923 0.849 0.608 709 2HG1 ILE 31 1HG1 ILE 31 -3.987 1.615 2.204 710 1HG2 ILE 31 1HG2 ILE 31 -2.435 -2.352 2.054 711 2HG2 ILE 31 3HG2 ILE 31 -1.794 -1.000 1.104 712 3HG2 ILE 31 2HG2 ILE 31 -1.567 -1.055 2.858 713 1HD1 ILE 31 3HD1 ILE 31 -1.399 0.446 1.308 714 2HD1 ILE 31 2HD1 ILE 31 -1.934 1.934 0.576 715 3HD1 ILE 31 1HD1 ILE 31 -1.722 1.840 2.334 716 H PHE 32 H PHE 32 -5.101 -2.573 3.834 717 HA PHE 32 HA PHE 32 -3.729 -4.995 3.196 718 1HB PHE 32 2HB PHE 32 -5.705 -4.096 5.291 719 2HB PHE 32 1HB PHE 32 -5.196 -5.777 5.235 720 HD1 PHE 32 HD1 PHE 32 -3.306 -2.420 4.746 721 HD2 PHE 32 HD2 PHE 32 -3.535 -6.258 6.870 722 HE1 PHE 32 HE1 PHE 32 -1.260 -1.933 5.938 723 HE2 PHE 32 HE2 PHE 32 -1.442 -5.672 8.000 724 HZ PHE 32 HZ PHE 32 -0.310 -3.563 7.513 725 H SER 33 H SER 33 -7.185 -4.005 2.718 726 HA SER 33 HA SER 33 -7.943 -6.681 1.712 727 1HB SER 33 2HB SER 33 -10.075 -5.582 1.206 728 2HB SER 33 1HB SER 33 -9.541 -5.093 2.804 729 HG SER 33 HG SER 33 -9.397 -3.122 2.120 730 H LEU 34 H LEU 34 -6.826 -3.583 0.364 731 HA LEU 34 HA LEU 34 -7.163 -4.110 -2.461 732 1HB LEU 34 2HB LEU 34 -6.768 -1.884 -1.662 733 2HB LEU 34 1HB LEU 34 -5.359 -2.362 -0.748 734 HG LEU 34 HG LEU 34 -4.402 -2.947 -3.103 735 1HD1 LEU 34 3HD1 LEU 34 -6.817 -2.359 -4.051 736 2HD1 LEU 34 2HD1 LEU 34 -6.177 -0.714 -4.031 737 3HD1 LEU 34 1HD1 LEU 34 -5.367 -1.969 -4.974 738 1HD2 LEU 34 2HD2 LEU 34 -3.755 -1.048 -1.487 739 2HD2 LEU 34 1HD2 LEU 34 -3.399 -0.776 -3.196 740 3HD2 LEU 34 3HD2 LEU 34 -4.816 -0.028 -2.462 741 H TRP 35 H TRP 35 -4.610 -4.853 -0.106 742 HA TRP 35 HA TRP 35 -2.612 -5.861 -1.906 743 1HB TRP 35 2HB TRP 35 -2.282 -5.153 0.453 744 2HB TRP 35 1HB TRP 35 -3.185 -6.575 0.989 745 HD1 TRP 35 HD1 TRP 35 -1.807 -8.681 1.332 746 HE1 TRP 35 HE1 TRP 35 0.470 -9.511 0.524 747 HE3 TRP 35 HE3 TRP 35 -0.524 -4.870 -1.780 748 HZ2 TRP 35 HZ2 TRP 35 2.597 -8.662 -1.188 749 HZ3 TRP 35 HZ3 TRP 35 1.629 -4.916 -2.996 750 HH2 TRP 35 HH2 TRP 35 3.177 -6.786 -2.694 751 H ASP 36 H ASP 36 -5.075 -7.578 0.106 752 HA ASP 36 HA ASP 36 -4.415 -10.218 -0.894 753 1HB ASP 36 2HB ASP 36 -6.809 -9.091 0.599 754 2HB ASP 36 1HB ASP 36 -6.547 -10.809 0.320 755 H ASP 37 H ASP 37 -6.934 -7.810 -1.689 756 HA ASP 37 HA ASP 37 -7.605 -9.476 -4.057 757 1HB ASP 37 2HB ASP 37 -9.388 -8.034 -2.083 758 2HB ASP 37 1HB ASP 37 -9.980 -8.607 -3.642 759 HA PRO 38 HA PRO 38 -6.549 -5.131 -5.398 760 1HB PRO 38 2HB PRO 38 -4.881 -5.847 -7.424 761 2HB PRO 38 1HB PRO 38 -4.337 -5.571 -5.762 762 1HG PRO 38 2HG PRO 38 -4.941 -8.155 -7.139 763 2HG PRO 38 1HG PRO 38 -3.591 -7.745 -6.073 764 1HD PRO 38 1HD PRO 38 -5.723 -9.138 -5.199 765 2HD PRO 38 2HD PRO 38 -4.845 -7.989 -4.157 766 H SER 39 H SER 39 -8.149 -7.904 -6.619 767 HA SER 39 HA SER 39 -8.704 -7.200 -9.354 768 1HB SER 39 2HB SER 39 -9.345 -9.239 -7.641 769 2HB SER 39 1HB SER 39 -10.870 -8.367 -7.675 770 HG SER 39 HG SER 39 -10.929 -9.762 -9.377 771 H GLN 40 H GLN 40 -10.045 -6.228 -6.223 772 HA GLN 40 HA GLN 40 -12.002 -4.334 -7.427 773 1HB GLN 40 2HB GLN 40 -11.410 -4.653 -4.492 774 2HB GLN 40 1HB GLN 40 -12.941 -4.253 -5.263 775 1HG GLN 40 2HG GLN 40 -12.595 -6.733 -6.259 776 2HG GLN 40 1HG GLN 40 -11.672 -6.890 -4.761 777 1HE2 GLN 40 1HE2 GLN 40 -13.132 -5.407 -2.924 778 2HE2 GLN 40 2HE2 GLN 40 -14.706 -6.023 -2.782 779 H SER 41 H SER 41 -8.809 -4.029 -7.310 780 HA SER 41 HA SER 41 -8.081 -2.028 -5.468 781 1HB SER 41 2HB SER 41 -6.270 -1.567 -7.079 782 2HB SER 41 1HB SER 41 -6.507 -3.279 -6.767 783 HG SER 41 HG SER 41 -7.078 -1.758 -9.057 784 H ALA 42 H ALA 42 -9.456 -1.601 -8.769 785 HA ALA 42 HA ALA 42 -9.333 1.288 -8.808 786 1HB ALA 42 1HB ALA 42 -11.226 -0.689 -10.148 787 2HB ALA 42 3HB ALA 42 -11.034 1.001 -10.618 788 3HB ALA 42 2HB ALA 42 -9.689 -0.125 -10.807 789 H ASN 43 H ASN 43 -11.839 -1.054 -7.792 790 HA ASN 43 HA ASN 43 -13.810 0.841 -6.946 791 1HB ASN 43 2HB ASN 43 -14.131 -1.603 -7.487 792 2HB ASN 43 1HB ASN 43 -13.311 -1.990 -5.974 793 1HD2 ASN 43 1HD2 ASN 43 -14.514 -1.788 -4.014 794 2HD2 ASN 43 2HD2 ASN 43 -16.137 -1.294 -3.966 795 H LEU 44 H LEU 44 -10.998 -0.665 -5.314 796 HA LEU 44 HA LEU 44 -11.644 0.110 -2.612 797 1HB LEU 44 2HB LEU 44 -9.363 -0.924 -4.194 798 2HB LEU 44 1HB LEU 44 -8.917 -0.059 -2.726 799 HG LEU 44 HG LEU 44 -11.163 -1.956 -2.430 800 1HD1 LEU 44 1HD1 LEU 44 -8.672 -2.780 -3.684 801 2HD1 LEU 44 3HD1 LEU 44 -8.891 -3.579 -2.123 802 3HD1 LEU 44 2HD1 LEU 44 -10.131 -3.734 -3.373 803 1HD2 LEU 44 3HD2 LEU 44 -8.797 -0.899 -0.921 804 2HD2 LEU 44 2HD2 LEU 44 -10.490 -1.040 -0.425 805 3HD2 LEU 44 1HD2 LEU 44 -9.451 -2.472 -0.439 806 H LEU 45 H LEU 45 -9.580 1.535 -5.055 807 HA LEU 45 HA LEU 45 -8.690 3.876 -3.750 808 1HB LEU 45 2HB LEU 45 -7.765 3.164 -5.854 809 2HB LEU 45 1HB LEU 45 -9.345 3.164 -6.624 810 HG LEU 45 HG LEU 45 -9.452 5.545 -6.636 811 1HD1 LEU 45 1HD1 LEU 45 -7.281 5.287 -4.591 812 2HD1 LEU 45 3HD1 LEU 45 -7.323 6.737 -5.600 813 3HD1 LEU 45 2HD1 LEU 45 -8.710 6.329 -4.594 814 1HD2 LEU 45 1HD2 LEU 45 -7.902 4.443 -8.294 815 2HD2 LEU 45 3HD2 LEU 45 -7.519 6.130 -7.959 816 3HD2 LEU 45 2HD2 LEU 45 -6.563 4.847 -7.220 817 H ALA 46 H ALA 46 -11.600 3.333 -5.748 818 HA ALA 46 HA ALA 46 -12.755 5.955 -5.449 819 1HB ALA 46 2HB ALA 46 -14.825 4.612 -6.140 820 2HB ALA 46 1HB ALA 46 -13.433 4.456 -7.212 821 3HB ALA 46 3HB ALA 46 -13.798 3.179 -6.051 822 H GLU 47 H GLU 47 -13.220 2.869 -3.706 823 HA GLU 47 HA GLU 47 -15.208 3.664 -1.847 824 1HB GLU 47 2HB GLU 47 -14.099 1.354 -2.497 825 2HB GLU 47 1HB GLU 47 -12.998 1.726 -1.174 826 1HG GLU 47 2HG GLU 47 -14.797 0.443 -0.226 827 2HG GLU 47 1HG GLU 47 -15.078 2.115 0.264 828 H ALA 48 H ALA 48 -11.694 4.049 -1.844 829 HA ALA 48 HA ALA 48 -11.303 4.883 0.887 830 1HB ALA 48 1HB ALA 48 -9.192 4.692 0.057 831 2HB ALA 48 2HB ALA 48 -9.430 6.176 -0.864 832 3HB ALA 48 3HB ALA 48 -9.825 4.599 -1.591 833 H LYS 49 H LYS 49 -11.871 6.674 -2.158 834 HA LYS 49 HA LYS 49 -11.939 9.327 -1.015 835 1HB LYS 49 2HB LYS 49 -13.220 8.158 -3.515 836 2HB LYS 49 1HB LYS 49 -13.005 9.879 -3.202 837 1HG LYS 49 2HG LYS 49 -10.540 9.522 -3.078 838 2HG LYS 49 1HG LYS 49 -10.786 7.826 -3.485 839 1HD LYS 49 2HD LYS 49 -12.114 8.809 -5.541 840 2HD LYS 49 1HD LYS 49 -11.166 10.258 -5.208 841 1HE LYS 49 2HE LYS 49 -9.900 7.515 -5.545 842 2HE LYS 49 1HE LYS 49 -10.103 8.657 -6.885 843 1HZ LYS 49 2HZ LYS 49 -8.949 10.344 -5.485 844 2HZ LYS 49 1HZ LYS 49 -8.606 9.122 -4.354 845 3HZ LYS 49 3HZ LYS 49 -7.962 9.033 -5.919 846 H LYS 50 H LYS 50 -14.458 6.917 -1.788 847 HA LYS 50 HA LYS 50 -16.790 8.408 -1.039 848 1HB LYS 50 2HB LYS 50 -16.105 5.449 -1.065 849 2HB LYS 50 1HB LYS 50 -17.742 6.059 -0.819 850 1HG LYS 50 2HG LYS 50 -17.801 7.052 -2.998 851 2HG LYS 50 1HG LYS 50 -16.071 6.808 -3.234 852 1HD LYS 50 2HD LYS 50 -16.443 4.340 -3.104 853 2HD LYS 50 1HD LYS 50 -18.179 4.636 -3.004 854 1HE LYS 50 2HE LYS 50 -18.268 5.490 -5.222 855 2HE LYS 50 1HE LYS 50 -16.509 5.712 -5.293 856 1HZ LYS 50 1HZ LYS 50 -16.252 3.295 -5.025 857 2HZ LYS 50 3HZ LYS 50 -17.938 3.109 -5.062 858 3HZ LYS 50 2HZ LYS 50 -17.119 3.681 -6.434 859 H LEU 51 H LEU 51 -14.707 6.186 0.878 860 HA LEU 51 HA LEU 51 -16.220 6.352 3.324 861 1HB LEU 51 2HB LEU 51 -14.613 4.560 2.866 862 2HB LEU 51 1HB LEU 51 -13.295 5.720 2.741 863 HG LEU 51 HG LEU 51 -13.386 6.209 5.090 864 1HD1 LEU 51 1HD1 LEU 51 -15.968 4.605 5.170 865 2HD1 LEU 51 3HD1 LEU 51 -15.148 5.275 6.580 866 3HD1 LEU 51 2HD1 LEU 51 -15.833 6.355 5.363 867 1HD2 LEU 51 2HD2 LEU 51 -13.844 3.247 4.630 868 2HD2 LEU 51 1HD2 LEU 51 -12.293 4.088 4.622 869 3HD2 LEU 51 3HD2 LEU 51 -13.203 3.931 6.123 870 H ASN 52 H ASN 52 -13.438 8.224 2.065 871 HA ASN 52 HA ASN 52 -13.015 9.863 4.372 872 1HB ASN 52 2HB ASN 52 -11.398 10.709 3.018 873 2HB ASN 52 1HB ASN 52 -11.879 9.464 1.902 874 1HD2 ASN 52 1HD2 ASN 52 -11.235 10.731 0.030 875 2HD2 ASN 52 2HD2 ASN 52 -12.127 12.085 -0.475 876 H ASP 53 H ASP 53 -15.235 10.101 1.601 877 HA ASP 53 HA ASP 53 -16.259 12.715 2.043 878 1HB ASP 53 2HB ASP 53 -16.461 11.205 0.011 879 2HB ASP 53 1HB ASP 53 -17.714 10.324 0.881 880 H ALA 54 H ALA 54 -17.205 9.533 3.372 881 HA ALA 54 HA ALA 54 -19.714 10.272 4.551 882 1HB ALA 54 3HB ALA 54 -18.455 7.997 4.118 883 2HB ALA 54 2HB ALA 54 -17.826 8.259 5.745 884 3HB ALA 54 1HB ALA 54 -19.567 8.129 5.483 885 H GLN 55 H GLN 55 -16.373 10.527 5.751 886 HA GLN 55 HA GLN 55 -17.220 11.479 8.424 887 1HB GLN 55 2HB GLN 55 -14.632 10.872 6.989 888 2HB GLN 55 1HB GLN 55 -14.636 11.570 8.596 889 1HG GLN 55 2HG GLN 55 -15.757 9.687 9.534 890 2HG GLN 55 1HG GLN 55 -16.188 9.064 7.941 891 1HE2 GLN 55 1HE2 GLN 55 -13.831 9.137 6.536 892 2HE2 GLN 55 2HE2 GLN 55 -12.668 8.157 7.293 893 H ALA 56 H ALA 56 -15.714 12.763 5.452 894 HA ALA 56 HA ALA 56 -16.283 15.554 6.367 895 1HB ALA 56 1HB ALA 56 -14.022 15.223 7.001 896 2HB ALA 56 2HB ALA 56 -13.901 15.998 5.420 897 3HB ALA 56 3HB ALA 56 -13.684 14.251 5.564 898 HA PRO 57 HA PRO 57 -17.587 15.861 2.104 899 1HB PRO 57 2HB PRO 57 -17.425 18.573 1.745 900 2HB PRO 57 1HB PRO 57 -18.725 17.794 2.673 901 1HG PRO 57 2HG PRO 57 -16.248 19.132 3.645 902 2HG PRO 57 1HG PRO 57 -17.897 19.220 4.283 903 1HD PRO 57 1HD PRO 57 -15.982 17.681 5.412 904 2HD PRO 57 2HD PRO 57 -17.704 17.233 5.431 905 H LYS 58 H LYS 58 -16.562 15.914 0.070 906 HA LYS 58 HA LYS 58 -13.653 15.997 -0.013 907 1HB LYS 58 2HB LYS 58 -15.840 15.763 -2.103 908 2HB LYS 58 1HB LYS 58 -14.127 15.699 -2.515 909 1HG LYS 58 2HG LYS 58 -13.846 13.787 -0.947 910 2HG LYS 58 1HG LYS 58 -15.578 13.824 -0.622 911 1HD LYS 58 2HD LYS 58 -15.974 13.516 -3.095 912 2HD LYS 58 1HD LYS 58 -14.237 13.280 -3.286 913 1HE LYS 58 2HE LYS 58 -14.536 11.088 -2.783 914 2HE LYS 58 1HE LYS 58 -15.043 11.574 -1.156 915 1HZ LYS 58 3HZ LYS 58 -17.284 12.033 -2.126 916 2HZ LYS 58 2HZ LYS 58 -16.757 11.308 -3.570 917 3HZ LYS 58 1HZ LYS 58 -16.846 10.396 -2.141 No H/Q in entry = 917 Start of MODEL 3 1 H1 VAL 1 1H VAL 1 -0.820 -20.896 14.505 2 H2 VAL 1 3H VAL 1 -1.204 -22.550 14.437 3 H3 VAL 1 2H VAL 1 -0.694 -21.742 13.038 4 HA VAL 1 HA VAL 1 -3.003 -21.918 12.765 5 HB VAL 1 HB VAL 1 -3.188 -22.647 15.193 6 1HG1 VAL 1 3HG1 VAL 1 -2.179 -20.337 15.962 7 2HG1 VAL 1 2HG1 VAL 1 -3.857 -19.801 15.888 8 3HG1 VAL 1 1HG1 VAL 1 -3.403 -21.133 16.949 9 1HG2 VAL 1 2HG2 VAL 1 -5.134 -22.096 13.555 10 2HG2 VAL 1 1HG2 VAL 1 -5.504 -22.264 15.272 11 3HG2 VAL 1 3HG2 VAL 1 -5.363 -20.660 14.553 12 H ASP 2 H ASP 2 -1.074 -19.833 12.181 13 HA ASP 2 HA ASP 2 -2.899 -17.516 11.900 14 1HB ASP 2 2HB ASP 2 -1.315 -15.988 12.993 15 2HB ASP 2 1HB ASP 2 -1.757 -17.272 14.110 16 H ASN 3 H ASN 3 -1.639 -15.711 10.614 17 HA ASN 3 HA ASN 3 -0.025 -17.053 8.473 18 1HB ASN 3 2HB ASN 3 -0.969 -15.413 6.970 19 2HB ASN 3 1HB ASN 3 -2.289 -16.070 7.923 20 1HD2 ASN 3 1HD2 ASN 3 -3.329 -14.631 9.502 21 2HD2 ASN 3 2HD2 ASN 3 -3.034 -12.961 9.502 22 H LYS 4 H LYS 4 2.044 -16.328 8.081 23 HA LYS 4 HA LYS 4 3.082 -14.122 9.804 24 1HB LYS 4 2HB LYS 4 4.155 -16.321 9.965 25 2HB LYS 4 1HB LYS 4 4.415 -16.359 8.224 26 1HG LYS 4 2HG LYS 4 5.882 -14.350 8.424 27 2HG LYS 4 1HG LYS 4 5.660 -14.392 10.175 28 1HD LYS 4 2HD LYS 4 6.631 -16.673 10.229 29 2HD LYS 4 1HD LYS 4 6.878 -16.597 8.484 30 1HE LYS 4 2HE LYS 4 8.262 -14.477 8.904 31 2HE LYS 4 1HE LYS 4 8.222 -14.918 10.622 32 1HZ LYS 4 2HZ LYS 4 9.131 -16.699 8.414 33 2HZ LYS 4 1HZ LYS 4 10.155 -15.879 9.493 34 3HZ LYS 4 3HZ LYS 4 9.114 -17.088 10.070 35 H PHE 5 H PHE 5 4.230 -15.214 6.580 36 HA PHE 5 HA PHE 5 4.947 -12.600 5.734 37 1HB PHE 5 2HB PHE 5 4.490 -15.201 4.265 38 2HB PHE 5 1HB PHE 5 5.124 -13.758 3.471 39 HD1 PHE 5 HD1 PHE 5 7.024 -12.525 5.073 40 HD2 PHE 5 HD2 PHE 5 6.128 -16.727 4.917 41 HE1 PHE 5 HE1 PHE 5 9.280 -13.040 5.957 42 HE2 PHE 5 HE2 PHE 5 8.389 -17.235 5.797 43 HZ PHE 5 HZ PHE 5 9.955 -15.392 6.326 44 H ASN 6 H ASN 6 1.855 -14.307 5.446 45 HA ASN 6 HA ASN 6 0.651 -12.918 3.291 46 1HB ASN 6 2HB ASN 6 -0.466 -13.931 5.926 47 2HB ASN 6 1HB ASN 6 -1.482 -13.387 4.596 48 1HD2 ASN 6 1HD2 ASN 6 -1.010 -14.570 2.404 49 2HD2 ASN 6 2HD2 ASN 6 -0.628 -16.221 2.501 50 H LYS 7 H LYS 7 0.445 -11.986 6.804 51 HA LYS 7 HA LYS 7 -0.558 -9.336 6.084 52 1HB LYS 7 2HB LYS 7 -1.390 -10.186 8.098 53 2HB LYS 7 1HB LYS 7 0.236 -10.632 8.682 54 1HG LYS 7 2HG LYS 7 0.815 -8.219 8.778 55 2HG LYS 7 1HG LYS 7 -0.807 -7.813 8.215 56 1HD LYS 7 2HD LYS 7 -1.811 -8.702 10.159 57 2HD LYS 7 1HD LYS 7 -0.300 -9.481 10.661 58 1HE LYS 7 2HE LYS 7 -0.379 -6.481 10.315 59 2HE LYS 7 1HE LYS 7 -1.003 -7.205 11.807 60 1HZ LYS 7 3HZ LYS 7 1.090 -8.441 12.025 61 2HZ LYS 7 2HZ LYS 7 1.695 -7.678 10.632 62 3HZ LYS 7 1HZ LYS 7 1.360 -6.767 12.024 63 H GLU 8 H GLU 8 2.662 -10.676 6.824 64 HA GLU 8 HA GLU 8 4.010 -8.209 7.376 65 1HB GLU 8 2HB GLU 8 4.902 -10.782 6.043 66 2HB GLU 8 1HB GLU 8 5.999 -9.431 6.318 67 1HG GLU 8 2HG GLU 8 4.449 -10.919 8.455 68 2HG GLU 8 1HG GLU 8 6.184 -11.047 8.138 69 H GLN 9 H GLN 9 3.107 -9.838 4.346 70 HA GLN 9 HA GLN 9 4.255 -7.924 2.547 71 1HB GLN 9 2HB GLN 9 1.941 -9.867 2.340 72 2HB GLN 9 1HB GLN 9 2.526 -8.922 0.979 73 1HG GLN 9 2HG GLN 9 4.667 -10.004 1.039 74 2HG GLN 9 1HG GLN 9 4.271 -10.822 2.554 75 1HE2 GLN 9 1HE2 GLN 9 3.612 -10.787 -0.941 76 2HE2 GLN 9 2HE2 GLN 9 2.795 -12.273 -0.972 77 H GLN 10 H GLN 10 1.115 -8.304 4.145 78 HA GLN 10 HA GLN 10 -0.359 -6.108 3.017 79 1HB GLN 10 2HB GLN 10 -0.605 -8.145 4.953 80 2HB GLN 10 1HB GLN 10 -0.916 -6.654 5.802 81 1HG GLN 10 2HG GLN 10 -3.017 -6.847 5.006 82 2HG GLN 10 1HG GLN 10 -2.338 -6.307 3.484 83 1HE2 GLN 10 1HE2 GLN 10 -3.956 -7.677 2.306 84 2HE2 GLN 10 2HE2 GLN 10 -3.766 -9.361 2.243 85 H ASN 11 H ASN 11 1.607 -6.340 5.992 86 HA ASN 11 HA ASN 11 1.317 -3.561 6.751 87 1HB ASN 11 2HB ASN 11 1.945 -5.637 8.168 88 2HB ASN 11 1HB ASN 11 3.572 -5.462 7.498 89 1HD2 ASN 11 1HD2 ASN 11 4.915 -3.801 8.373 90 2HD2 ASN 11 2HD2 ASN 11 4.399 -2.723 9.579 91 H ALA 12 H ALA 12 3.911 -5.433 5.110 92 HA ALA 12 HA ALA 12 5.744 -3.250 4.750 93 1HB ALA 12 2HB ALA 12 5.234 -5.902 3.394 94 2HB ALA 12 3HB ALA 12 6.590 -5.440 4.432 95 3HB ALA 12 1HB ALA 12 6.475 -4.797 2.791 96 H PHE 13 H PHE 13 3.136 -4.588 2.704 97 HA PHE 13 HA PHE 13 3.375 -2.881 0.425 98 1HB PHE 13 2HB PHE 13 1.890 -4.829 0.427 99 2HB PHE 13 1HB PHE 13 1.019 -4.230 1.827 100 HD1 PHE 13 HD1 PHE 13 2.074 -2.642 -1.386 101 HD2 PHE 13 HD2 PHE 13 -1.147 -3.665 1.234 102 HE1 PHE 13 HE1 PHE 13 0.479 -1.561 -2.924 103 HE2 PHE 13 HE2 PHE 13 -2.745 -2.567 -0.293 104 HZ PHE 13 HZ PHE 13 -1.927 -1.518 -2.366 105 H TYR 14 H TYR 14 1.244 -2.613 3.270 106 HA TYR 14 HA TYR 14 0.166 -0.051 2.897 107 1HB TYR 14 2HB TYR 14 -0.457 -1.746 4.563 108 2HB TYR 14 1HB TYR 14 1.031 -1.413 5.448 109 HD1 TYR 14 HD1 TYR 14 -2.161 0.090 4.266 110 HD2 TYR 14 HD2 TYR 14 1.250 0.510 6.831 111 HE1 TYR 14 HE1 TYR 14 -3.265 1.867 5.404 112 HE2 TYR 14 HE2 TYR 14 0.130 2.385 7.988 113 HH TYR 14 HH TYR 14 -1.693 4.038 7.518 114 H GLU 15 H GLU 15 3.083 -0.887 4.868 115 HA GLU 15 HA GLU 15 3.829 1.787 5.520 116 1HB GLU 15 2HB GLU 15 5.414 -0.783 5.254 117 2HB GLU 15 1HB GLU 15 6.083 0.704 5.924 118 1HG GLU 15 2HG GLU 15 3.652 -0.771 7.010 119 2HG GLU 15 1HG GLU 15 5.261 -0.802 7.719 120 H ILE 16 H ILE 16 4.828 -0.296 2.739 121 HA ILE 16 HA ILE 16 6.695 1.499 1.519 122 HB ILE 16 HB ILE 16 4.874 -0.731 0.677 123 1HG1 ILE 16 2HG1 ILE 16 7.687 -0.510 -0.228 124 2HG1 ILE 16 1HG1 ILE 16 7.461 -0.530 1.517 125 1HG2 ILE 16 3HG2 ILE 16 6.120 1.188 -1.285 126 2HG2 ILE 16 2HG2 ILE 16 5.761 -0.487 -1.714 127 3HG2 ILE 16 1HG2 ILE 16 4.459 0.601 -1.239 128 1HD1 ILE 16 3HD1 ILE 16 5.856 -2.518 0.032 129 2HD1 ILE 16 2HD1 ILE 16 7.623 -2.770 -0.012 130 3HD1 ILE 16 1HD1 ILE 16 6.781 -2.685 1.533 131 H LEU 17 H LEU 17 3.146 1.285 1.190 132 HA LEU 17 HA LEU 17 2.831 3.609 -0.552 133 1HB LEU 17 2HB LEU 17 0.895 2.259 1.367 134 2HB LEU 17 1HB LEU 17 0.446 3.375 0.086 135 HG LEU 17 HG LEU 17 2.079 1.160 -0.896 136 1HD1 LEU 17 3HD1 LEU 17 0.306 0.396 1.066 137 2HD1 LEU 17 2HD1 LEU 17 -0.653 0.241 -0.411 138 3HD1 LEU 17 1HD1 LEU 17 0.872 -0.621 -0.253 139 1HD2 LEU 17 1HD2 LEU 17 0.443 2.889 -2.057 140 2HD2 LEU 17 3HD2 LEU 17 0.615 1.225 -2.661 141 3HD2 LEU 17 2HD2 LEU 17 -0.754 1.634 -1.614 142 H HIS 18 H HIS 18 2.632 3.157 3.005 143 HA HIS 18 HA HIS 18 1.875 5.956 3.479 144 1HB HIS 18 2HB HIS 18 2.415 3.523 5.185 145 2HB HIS 18 1HB HIS 18 2.118 5.101 5.911 146 HD1 HIS 18 HD1 HIS 18 -0.294 6.034 5.809 147 HD2 HIS 18 HD2 HIS 18 0.101 2.390 3.857 148 HE1 HIS 18 HE1 HIS 18 -2.621 5.178 5.231 149 H LEU 19 H LEU 19 4.912 4.645 2.782 150 HA LEU 19 HA LEU 19 6.540 5.925 4.806 151 1HB LEU 19 2HB LEU 19 6.937 4.678 2.109 152 2HB LEU 19 1HB LEU 19 8.224 5.718 2.712 153 HG LEU 19 HG LEU 19 7.042 3.382 4.251 154 1HD1 LEU 19 2HD1 LEU 19 9.506 3.636 2.529 155 2HD1 LEU 19 1HD1 LEU 19 9.389 2.424 3.805 156 3HD1 LEU 19 3HD1 LEU 19 8.246 2.404 2.462 157 1HD2 LEU 19 2HD2 LEU 19 8.689 5.601 5.037 158 2HD2 LEU 19 1HD2 LEU 19 8.112 4.254 6.020 159 3HD2 LEU 19 3HD2 LEU 19 9.637 4.120 5.144 160 HA PRO 20 HA PRO 20 5.850 10.103 3.502 161 1HB PRO 20 2HB PRO 20 7.933 11.299 4.818 162 2HB PRO 20 1HB PRO 20 6.443 10.754 5.618 163 1HG PRO 20 2HG PRO 20 9.099 9.408 5.444 164 2HG PRO 20 1HG PRO 20 8.004 9.567 6.829 165 1HD PRO 20 1HD PRO 20 8.166 7.302 5.382 166 2HD PRO 20 2HD PRO 20 6.645 7.841 6.130 167 H ASN 21 H ASN 21 8.870 8.424 2.714 168 HA ASN 21 HA ASN 21 9.485 10.625 0.764 169 1HB ASN 21 2HB ASN 21 11.313 8.692 2.188 170 2HB ASN 21 1HB ASN 21 11.842 9.948 1.080 171 1HD2 ASN 21 1HD2 ASN 21 11.471 12.212 1.789 172 2HD2 ASN 21 2HD2 ASN 21 11.327 12.566 3.441 173 H LEU 22 H LEU 22 8.055 7.648 0.688 174 HA LEU 22 HA LEU 22 9.607 6.535 -1.575 175 1HB LEU 22 2HB LEU 22 7.201 5.667 0.032 176 2HB LEU 22 1HB LEU 22 7.560 4.886 -1.503 177 HG LEU 22 HG LEU 22 9.080 4.782 1.083 178 1HD1 LEU 22 1HD1 LEU 22 8.235 2.870 -1.094 179 2HD1 LEU 22 3HD1 LEU 22 9.432 2.403 0.121 180 3HD1 LEU 22 2HD1 LEU 22 7.795 2.851 0.613 181 1HD2 LEU 22 3HD2 LEU 22 10.318 4.558 -1.674 182 2HD2 LEU 22 2HD2 LEU 22 10.829 5.611 -0.341 183 3HD2 LEU 22 1HD2 LEU 22 11.051 3.862 -0.227 184 H ASN 23 H ASN 23 8.910 6.533 -3.686 185 HA ASN 23 HA ASN 23 6.570 8.306 -4.326 186 1HB ASN 23 2HB ASN 23 7.888 8.710 -6.484 187 2HB ASN 23 1HB ASN 23 8.573 9.388 -5.024 188 1HD2 ASN 23 1HD2 ASN 23 10.683 8.658 -4.397 189 2HD2 ASN 23 2HD2 ASN 23 11.540 7.462 -5.245 190 H GLU 24 H GLU 24 6.074 7.813 -6.870 191 HA GLU 24 HA GLU 24 4.640 5.350 -6.935 192 1HB GLU 24 2HB GLU 24 4.324 7.496 -8.293 193 2HB GLU 24 1HB GLU 24 5.641 6.938 -9.323 194 1HG GLU 24 2HG GLU 24 3.661 6.196 -10.412 195 2HG GLU 24 1HG GLU 24 4.289 4.764 -9.599 196 H GLU 25 H GLU 25 7.905 6.147 -8.166 197 HA GLU 25 HA GLU 25 8.316 3.632 -9.565 198 1HB GLU 25 2HB GLU 25 9.525 5.780 -9.977 199 2HB GLU 25 1HB GLU 25 10.305 5.619 -8.408 200 1HG GLU 25 2HG GLU 25 11.230 3.400 -9.173 201 2HG GLU 25 1HG GLU 25 10.587 3.749 -10.778 202 H GLN 26 H GLN 26 9.446 4.820 -6.349 203 HA GLN 26 HA GLN 26 10.716 2.313 -5.587 204 1HB GLN 26 2HB GLN 26 10.140 4.974 -4.437 205 2HB GLN 26 1HB GLN 26 10.250 3.672 -3.257 206 1HG GLN 26 2HG GLN 26 12.467 4.625 -3.577 207 2HG GLN 26 1HG GLN 26 12.438 3.002 -4.259 208 1HE2 GLN 26 1HE2 GLN 26 13.104 2.812 -6.421 209 2HE2 GLN 26 2HE2 GLN 26 13.269 4.119 -7.493 210 H ARG 27 H ARG 27 7.644 3.834 -4.512 211 HA ARG 27 HA ARG 27 6.796 1.752 -2.778 212 1HB ARG 27 2HB ARG 27 5.760 3.927 -2.758 213 2HB ARG 27 1HB ARG 27 5.336 3.813 -4.463 214 1HG ARG 27 2HG ARG 27 3.850 1.846 -3.861 215 2HG ARG 27 1HG ARG 27 4.139 2.245 -2.169 216 1HD ARG 27 2HD ARG 27 2.024 3.254 -3.017 217 2HD ARG 27 1HD ARG 27 3.186 4.493 -2.539 218 HE ARG 27 HE ARG 27 3.029 3.612 -5.398 219 1HH1 ARG 27 1HH1 ARG 27 4.660 5.914 -3.875 220 2HH1 ARG 27 2HH1 ARG 27 3.875 7.290 -4.568 221 1HH2 ARG 27 1HH2 ARG 27 1.237 5.455 -5.899 222 2HH2 ARG 27 2HH2 ARG 27 1.931 7.030 -5.717 223 H ASN 28 H ASN 28 5.922 2.255 -6.267 224 HA ASN 28 HA ASN 28 4.212 -0.036 -6.531 225 1HB ASN 28 2HB ASN 28 4.358 1.949 -8.031 226 2HB ASN 28 1HB ASN 28 5.911 1.386 -8.571 227 1HD2 ASN 28 1HD2 ASN 28 4.304 1.630 -10.645 228 2HD2 ASN 28 2HD2 ASN 28 3.598 0.165 -11.136 229 H ALA 29 H ALA 29 7.709 0.379 -7.233 230 HA ALA 29 HA ALA 29 8.282 -2.213 -8.289 231 1HB ALA 29 1HB ALA 29 9.689 -0.038 -7.932 232 2HB ALA 29 3HB ALA 29 10.076 -0.764 -6.369 233 3HB ALA 29 2HB ALA 29 10.500 -1.603 -7.865 234 H PHE 30 H PHE 30 8.108 -1.007 -4.955 235 HA PHE 30 HA PHE 30 8.950 -3.387 -3.607 236 1HB PHE 30 2HB PHE 30 7.345 -0.926 -2.958 237 2HB PHE 30 1HB PHE 30 7.497 -2.221 -1.770 238 HD1 PHE 30 HD1 PHE 30 10.303 -3.137 -2.732 239 HD2 PHE 30 HD2 PHE 30 8.672 0.694 -1.721 240 HE1 PHE 30 HE1 PHE 30 12.522 -2.383 -2.072 241 HE2 PHE 30 HE2 PHE 30 10.920 1.450 -1.036 242 HZ PHE 30 HZ PHE 30 12.840 -0.136 -1.211 243 H ILE 31 H ILE 31 5.777 -2.141 -4.479 244 HA ILE 31 HA ILE 31 4.242 -4.322 -3.388 245 HB ILE 31 HB ILE 31 3.763 -2.297 -5.593 246 1HG1 ILE 31 2HG1 ILE 31 2.811 -2.322 -2.750 247 2HG1 ILE 31 1HG1 ILE 31 4.327 -1.577 -3.189 248 1HG2 ILE 31 2HG2 ILE 31 2.269 -4.531 -5.187 249 2HG2 ILE 31 1HG2 ILE 31 1.530 -3.383 -4.071 250 3HG2 ILE 31 3HG2 ILE 31 1.631 -3.000 -5.782 251 1HD1 ILE 31 3HD1 ILE 31 1.648 -0.875 -4.389 252 2HD1 ILE 31 2HD1 ILE 31 2.456 0.031 -3.092 253 3HD1 ILE 31 1HD1 ILE 31 3.198 -0.062 -4.690 254 H GLN 32 H GLN 32 6.050 -3.874 -6.446 255 HA GLN 32 HA GLN 32 4.943 -6.233 -7.760 256 1HB GLN 32 2HB GLN 32 7.391 -4.490 -8.170 257 2HB GLN 32 1HB GLN 32 6.984 -5.830 -9.245 258 1HG GLN 32 2HG GLN 32 4.838 -4.821 -9.783 259 2HG GLN 32 1HG GLN 32 5.095 -3.540 -8.604 260 1HE2 GLN 32 1HE2 GLN 32 6.139 -4.761 -11.785 261 2HE2 GLN 32 2HE2 GLN 32 6.935 -3.338 -12.253 262 H SER 33 H SER 33 7.992 -5.575 -5.979 263 HA SER 33 HA SER 33 8.972 -8.309 -6.007 264 1HB SER 33 2HB SER 33 10.478 -7.361 -4.208 265 2HB SER 33 1HB SER 33 10.490 -6.482 -5.733 266 HG SER 33 HG SER 33 10.075 -4.863 -4.433 267 H LEU 34 H LEU 34 6.800 -6.518 -3.917 268 HA LEU 34 HA LEU 34 6.820 -8.394 -1.677 269 1HB LEU 34 2HB LEU 34 6.483 -5.915 -1.605 270 2HB LEU 34 1HB LEU 34 4.964 -6.120 -2.464 271 HG LEU 34 HG LEU 34 4.307 -7.681 -0.511 272 1HD1 LEU 34 3HD1 LEU 34 6.764 -6.310 0.546 273 2HD1 LEU 34 2HD1 LEU 34 5.481 -6.874 1.617 274 3HD1 LEU 34 1HD1 LEU 34 6.349 -8.021 0.596 275 1HD2 LEU 34 1HD2 LEU 34 3.896 -5.032 -1.006 276 2HD2 LEU 34 3HD2 LEU 34 3.183 -5.908 0.345 277 3HD2 LEU 34 2HD2 LEU 34 4.646 -4.961 0.589 278 H LYS 35 H LYS 35 4.443 -7.590 -4.289 279 HA LYS 35 HA LYS 35 2.481 -9.564 -3.504 280 1HB LYS 35 2HB LYS 35 3.007 -7.764 -5.828 281 2HB LYS 35 1HB LYS 35 1.952 -9.111 -6.142 282 1HG LYS 35 2HG LYS 35 1.018 -8.157 -3.729 283 2HG LYS 35 1HG LYS 35 1.410 -6.703 -4.649 284 1HD LYS 35 2HD LYS 35 -0.116 -7.192 -6.336 285 2HD LYS 35 1HD LYS 35 -0.091 -8.923 -6.000 286 1HE LYS 35 2HE LYS 35 -1.046 -7.312 -3.719 287 2HE LYS 35 1HE LYS 35 -2.079 -7.198 -5.156 288 1HZ LYS 35 2HZ LYS 35 -1.074 -9.746 -3.984 289 2HZ LYS 35 1HZ LYS 35 -2.639 -9.127 -3.757 290 3HZ LYS 35 3HZ LYS 35 -2.130 -9.595 -5.306 291 H ASP 36 H ASP 36 5.307 -9.696 -5.682 292 HA ASP 36 HA ASP 36 4.687 -12.424 -6.604 293 1HB ASP 36 2HB ASP 36 7.076 -10.576 -6.935 294 2HB ASP 36 1HB ASP 36 6.932 -12.140 -7.726 295 H ASP 37 H ASP 37 6.995 -10.926 -4.268 296 HA ASP 37 HA ASP 37 7.760 -13.694 -3.374 297 1HB ASP 37 2HB ASP 37 9.458 -12.033 -4.432 298 2HB ASP 37 1HB ASP 37 9.363 -11.182 -2.892 299 HA PRO 38 HA PRO 38 5.442 -12.180 0.243 300 1HB PRO 38 2HB PRO 38 5.105 -14.650 1.370 301 2HB PRO 38 1HB PRO 38 4.090 -14.036 0.050 302 1HG PRO 38 2HG PRO 38 6.418 -15.889 -0.079 303 2HG PRO 38 1HG PRO 38 4.854 -15.980 -0.908 304 1HD PRO 38 1HD PRO 38 7.076 -15.088 -2.136 305 2HD PRO 38 2HD PRO 38 5.455 -14.458 -2.506 306 H SER 39 H SER 39 8.147 -14.552 0.408 307 HA SER 39 HA SER 39 8.739 -14.220 3.193 308 1HB SER 39 2HB SER 39 9.466 -16.077 1.684 309 2HB SER 39 1HB SER 39 10.601 -14.967 0.918 310 HG SER 39 HG SER 39 11.839 -15.033 2.653 311 H GLN 40 H GLN 40 9.928 -12.367 0.360 312 HA GLN 40 HA GLN 40 11.885 -10.885 1.984 313 1HB GLN 40 2HB GLN 40 11.808 -11.534 -0.599 314 2HB GLN 40 1HB GLN 40 10.922 -10.012 -0.729 315 1HG GLN 40 2HG GLN 40 13.160 -9.354 -1.034 316 2HG GLN 40 1HG GLN 40 12.875 -9.011 0.671 317 1HE2 GLN 40 1HE2 GLN 40 14.174 -11.622 -1.467 318 2HE2 GLN 40 2HE2 GLN 40 15.291 -12.194 -0.325 319 H SER 41 H SER 41 8.539 -10.669 1.957 320 HA SER 41 HA SER 41 7.922 -7.976 1.452 321 1HB SER 41 2HB SER 41 5.960 -8.430 2.893 322 2HB SER 41 1HB SER 41 6.309 -9.811 1.864 323 HG SER 41 HG SER 41 6.638 -10.944 3.600 324 H ALA 42 H ALA 42 8.985 -9.331 4.668 325 HA ALA 42 HA ALA 42 8.818 -6.805 6.065 326 1HB ALA 42 2HB ALA 42 10.754 -9.102 6.363 327 2HB ALA 42 3HB ALA 42 9.171 -8.992 7.144 328 3HB ALA 42 1HB ALA 42 10.452 -7.854 7.571 329 H ASN 43 H ASN 43 11.555 -8.413 4.401 330 HA ASN 43 HA ASN 43 13.568 -6.422 4.690 331 1HB ASN 43 2HB ASN 43 12.876 -8.620 2.805 332 2HB ASN 43 1HB ASN 43 14.061 -7.434 2.244 333 1HD2 ASN 43 1HD2 ASN 43 15.879 -6.990 4.014 334 2HD2 ASN 43 2HD2 ASN 43 16.452 -8.355 4.843 335 H LEU 44 H LEU 44 10.925 -6.822 2.343 336 HA LEU 44 HA LEU 44 11.614 -4.683 0.575 337 1HB LEU 44 2HB LEU 44 9.120 -6.188 1.275 338 2HB LEU 44 1HB LEU 44 9.070 -4.844 0.127 339 HG LEU 44 HG LEU 44 10.936 -7.206 -0.052 340 1HD1 LEU 44 2HD1 LEU 44 8.275 -7.230 -0.490 341 2HD1 LEU 44 1HD1 LEU 44 8.850 -6.712 -2.078 342 3HD1 LEU 44 3HD1 LEU 44 9.420 -8.236 -1.387 343 1HD2 LEU 44 1HD2 LEU 44 10.889 -4.543 -1.216 344 2HD2 LEU 44 3HD2 LEU 44 12.095 -5.836 -1.379 345 3HD2 LEU 44 2HD2 LEU 44 10.710 -5.804 -2.482 346 H LEU 45 H LEU 45 9.539 -4.828 3.472 347 HA LEU 45 HA LEU 45 8.888 -1.998 3.268 348 1HB LEU 45 2HB LEU 45 7.503 -3.355 4.606 349 2HB LEU 45 1HB LEU 45 8.862 -4.031 5.496 350 HG LEU 45 HG LEU 45 9.266 -1.943 6.616 351 1HD1 LEU 45 3HD1 LEU 45 7.294 -0.833 4.604 352 2HD1 LEU 45 2HD1 LEU 45 7.700 0.027 6.084 353 3HD1 LEU 45 1HD1 LEU 45 8.955 -0.312 4.897 354 1HD2 LEU 45 3HD2 LEU 45 7.368 -3.377 7.398 355 2HD2 LEU 45 2HD2 LEU 45 7.199 -1.677 7.842 356 3HD2 LEU 45 1HD2 LEU 45 6.268 -2.338 6.495 357 H ALA 46 H ALA 46 11.363 -3.876 5.121 358 HA ALA 46 HA ALA 46 12.711 -1.699 6.395 359 1HB ALA 46 1HB ALA 46 13.501 -4.376 5.207 360 2HB ALA 46 3HB ALA 46 14.757 -3.296 5.834 361 3HB ALA 46 2HB ALA 46 13.474 -3.878 6.910 362 H GLU 47 H GLU 47 13.257 -3.024 3.059 363 HA GLU 47 HA GLU 47 15.345 -1.105 2.494 364 1HB GLU 47 2HB GLU 47 15.123 -1.916 0.163 365 2HB GLU 47 1HB GLU 47 15.292 -3.227 1.320 366 1HG GLU 47 2HG GLU 47 12.780 -3.385 1.252 367 2HG GLU 47 1HG GLU 47 12.869 -2.322 -0.150 368 H ALA 48 H ALA 48 11.773 -1.182 2.046 369 HA ALA 48 HA ALA 48 11.622 1.298 0.579 370 1HB ALA 48 2HB ALA 48 9.945 -0.618 1.066 371 2HB ALA 48 1HB ALA 48 9.661 0.213 2.602 372 3HB ALA 48 3HB ALA 48 9.312 1.025 1.069 373 H LYS 49 H LYS 49 11.747 0.439 4.048 374 HA LYS 49 HA LYS 49 11.349 3.052 5.230 375 1HB LYS 49 2HB LYS 49 12.745 0.468 6.023 376 2HB LYS 49 1HB LYS 49 12.606 1.799 7.142 377 1HG LYS 49 2HG LYS 49 10.353 0.233 5.884 378 2HG LYS 49 1HG LYS 49 10.846 0.186 7.567 379 1HD LYS 49 2HD LYS 49 10.366 2.713 7.567 380 2HD LYS 49 1HD LYS 49 9.508 2.402 6.055 381 1HE LYS 49 2HE LYS 49 7.749 1.471 7.136 382 2HE LYS 49 1HE LYS 49 8.819 0.453 8.121 383 1HZ LYS 49 2HZ LYS 49 8.324 3.361 8.571 384 2HZ LYS 49 1HZ LYS 49 7.614 2.105 9.468 385 3HZ LYS 49 3HZ LYS 49 9.293 2.346 9.536 386 H LYS 50 H LYS 50 14.070 1.092 4.214 387 HA LYS 50 HA LYS 50 16.287 2.759 4.873 388 1HB LYS 50 2HB LYS 50 16.635 0.465 4.413 389 2HB LYS 50 1HB LYS 50 15.593 0.512 3.010 390 1HG LYS 50 2HG LYS 50 17.483 2.101 2.041 391 2HG LYS 50 1HG LYS 50 18.475 1.256 3.235 392 1HD LYS 50 2HD LYS 50 16.673 -0.207 1.266 393 2HD LYS 50 1HD LYS 50 18.372 0.156 0.926 394 1HE LYS 50 2HE LYS 50 18.993 -1.066 3.054 395 2HE LYS 50 1HE LYS 50 17.293 -1.554 3.203 396 1HZ LYS 50 3HZ LYS 50 17.424 -2.481 0.947 397 2HZ LYS 50 2HZ LYS 50 19.075 -2.080 0.871 398 3HZ LYS 50 1HZ LYS 50 18.526 -3.232 1.993 399 H LEU 51 H LEU 51 14.170 2.541 2.004 400 HA LEU 51 HA LEU 51 15.612 4.501 0.403 401 1HB LEU 51 2HB LEU 51 13.151 2.860 0.307 402 2HB LEU 51 1HB LEU 51 13.035 4.385 -0.560 403 HG LEU 51 HG LEU 51 14.683 3.800 -2.091 404 1HD1 LEU 51 2HD1 LEU 51 15.726 2.070 0.120 405 2HD1 LEU 51 1HD1 LEU 51 16.112 1.632 -1.545 406 3HD1 LEU 51 3HD1 LEU 51 16.592 3.211 -0.912 407 1HD2 LEU 51 1HD2 LEU 51 12.716 1.854 -1.451 408 2HD2 LEU 51 3HD2 LEU 51 13.482 2.145 -3.014 409 3HD2 LEU 51 2HD2 LEU 51 14.189 0.984 -1.888 410 H ASN 52 H ASN 52 12.744 4.573 2.519 411 HA ASN 52 HA ASN 52 11.972 7.261 1.975 412 1HB ASN 52 2HB ASN 52 10.273 6.648 3.345 413 2HB ASN 52 1HB ASN 52 11.066 5.090 3.492 414 1HD2 ASN 52 1HD2 ASN 52 11.017 8.346 5.044 415 2HD2 ASN 52 2HD2 ASN 52 11.375 7.765 6.595 416 H ASP 53 H ASP 53 14.289 5.932 4.358 417 HA ASP 53 HA ASP 53 14.857 8.580 5.516 418 1HB ASP 53 2HB ASP 53 16.262 5.899 5.743 419 2HB ASP 53 1HB ASP 53 16.588 7.308 6.748 420 H ALA 54 H ALA 54 16.479 6.381 3.184 421 HA ALA 54 HA ALA 54 18.879 7.981 2.862 422 1HB ALA 54 3HB ALA 54 17.530 5.972 1.022 423 2HB ALA 54 2HB ALA 54 19.207 6.503 0.901 424 3HB ALA 54 1HB ALA 54 18.674 5.573 2.303 425 H GLN 55 H GLN 55 15.931 7.629 0.838 426 HA GLN 55 HA GLN 55 16.586 9.724 -1.046 427 1HB GLN 55 2HB GLN 55 13.945 8.484 -0.222 428 2HB GLN 55 1HB GLN 55 14.169 9.513 -1.631 429 1HG GLN 55 2HG GLN 55 15.840 7.885 -2.526 430 2HG GLN 55 1HG GLN 55 15.518 6.826 -1.150 431 1HE2 GLN 55 1HE2 GLN 55 12.789 6.822 -0.887 432 2HE2 GLN 55 2HE2 GLN 55 12.036 6.306 -2.317 433 H ALA 56 H ALA 56 15.135 9.725 2.175 434 HA ALA 56 HA ALA 56 13.654 12.130 2.191 435 1HB ALA 56 1HB ALA 56 14.794 12.073 4.676 436 2HB ALA 56 2HB ALA 56 15.046 10.404 4.153 437 3HB ALA 56 3HB ALA 56 13.416 11.082 4.202 438 HA PRO 57 HA PRO 57 16.626 15.363 1.983 439 1HB PRO 57 2HB PRO 57 15.241 17.350 3.247 440 2HB PRO 57 1HB PRO 57 14.792 16.746 1.639 441 1HG PRO 57 2HG PRO 57 13.603 16.127 4.287 442 2HG PRO 57 1HG PRO 57 12.807 16.363 2.724 443 1HD PRO 57 1HD PRO 57 13.304 13.923 3.871 444 2HD PRO 57 2HD PRO 57 13.093 14.184 2.126 445 H LYS 58 H LYS 58 17.821 13.867 3.674 446 HA LYS 58 HA LYS 58 19.165 13.668 5.579 447 1HB LYS 58 2HB LYS 58 19.726 15.987 4.715 448 2HB LYS 58 1HB LYS 58 18.578 16.635 5.882 449 1HG LYS 58 2HG LYS 58 19.923 15.276 7.645 450 2HG LYS 58 1HG LYS 58 21.174 15.193 6.405 451 1HD LYS 58 2HD LYS 58 21.853 17.179 7.290 452 2HD LYS 58 1HD LYS 58 20.549 17.850 6.311 453 1HE LYS 58 2HE LYS 58 20.030 16.855 9.127 454 2HE LYS 58 1HE LYS 58 20.585 18.508 8.819 455 1HZ LYS 58 3HZ LYS 58 18.723 18.613 7.112 456 2HZ LYS 58 2HZ LYS 58 18.114 17.195 7.828 457 3HZ LYS 58 1HZ LYS 58 18.251 18.619 8.741 458 H1 VAL 1 3H VAL 1 1.493 -6.993 -21.451 459 H2 VAL 1 2H VAL 1 3.006 -6.232 -21.429 460 H3 VAL 1 1H VAL 1 2.478 -7.037 -22.826 461 HA VAL 1 HA VAL 1 2.637 -9.166 -21.810 462 HB VAL 1 HB VAL 1 5.071 -9.206 -21.276 463 1HG1 VAL 1 1HG1 VAL 1 4.139 -8.976 -23.636 464 2HG1 VAL 1 3HG1 VAL 1 4.560 -7.265 -23.535 465 3HG1 VAL 1 2HG1 VAL 1 5.820 -8.494 -23.416 466 1HG2 VAL 1 3HG2 VAL 1 5.083 -7.035 -19.966 467 2HG2 VAL 1 2HG2 VAL 1 6.383 -7.186 -21.141 468 3HG2 VAL 1 1HG2 VAL 1 4.983 -6.180 -21.505 469 H ASP 2 H ASP 2 3.026 -6.560 -19.390 470 HA ASP 2 HA ASP 2 3.289 -8.403 -17.134 471 1HB ASP 2 2HB ASP 2 2.866 -5.430 -17.496 472 2HB ASP 2 1HB ASP 2 2.858 -6.165 -15.895 473 H ASN 3 H ASN 3 1.642 -9.406 -16.097 474 HA ASN 3 HA ASN 3 -1.121 -8.259 -16.245 475 1HB ASN 3 2HB ASN 3 -1.956 -10.567 -16.606 476 2HB ASN 3 1HB ASN 3 -0.832 -10.104 -17.878 477 1HD2 ASN 3 1HD2 ASN 3 -1.471 -12.501 -15.481 478 2HD2 ASN 3 2HD2 ASN 3 0.010 -13.321 -15.587 479 H LYS 4 H LYS 4 0.659 -7.829 -14.117 480 HA LYS 4 HA LYS 4 -0.259 -9.678 -11.941 481 1HB LYS 4 2HB LYS 4 2.072 -7.751 -12.217 482 2HB LYS 4 1HB LYS 4 1.707 -8.633 -10.734 483 1HG LYS 4 2HG LYS 4 1.902 -10.777 -11.991 484 2HG LYS 4 1HG LYS 4 2.358 -9.864 -13.432 485 1HD LYS 4 2HD LYS 4 4.295 -8.920 -12.205 486 2HD LYS 4 1HD LYS 4 3.855 -9.881 -10.795 487 1HE LYS 4 2HE LYS 4 4.292 -11.947 -11.948 488 2HE LYS 4 1HE LYS 4 4.436 -11.114 -13.509 489 1HZ LYS 4 1HZ LYS 4 6.183 -10.611 -11.146 490 2HZ LYS 4 3HZ LYS 4 6.617 -11.559 -12.483 491 3HZ LYS 4 2HZ LYS 4 6.334 -9.897 -12.682 492 H PHE 5 H PHE 5 -1.067 -8.765 -9.969 493 HA PHE 5 HA PHE 5 -2.533 -6.229 -10.264 494 1HB PHE 5 2HB PHE 5 -2.346 -8.440 -8.215 495 2HB PHE 5 1HB PHE 5 -3.292 -6.998 -7.938 496 HD1 PHE 5 HD1 PHE 5 -2.931 -9.967 -10.125 497 HD2 PHE 5 HD2 PHE 5 -5.385 -6.615 -9.047 498 HE1 PHE 5 HE1 PHE 5 -4.802 -10.909 -11.446 499 HE2 PHE 5 HE2 PHE 5 -7.250 -7.550 -10.370 500 HZ PHE 5 HZ PHE 5 -6.965 -9.701 -11.572 501 H ASN 6 H ASN 6 0.642 -6.739 -9.480 502 HA ASN 6 HA ASN 6 0.799 -5.144 -7.024 503 1HB ASN 6 2HB ASN 6 3.255 -5.534 -7.357 504 2HB ASN 6 1HB ASN 6 2.297 -7.000 -7.302 505 1HD2 ASN 6 1HD2 ASN 6 4.074 -8.098 -8.515 506 2HD2 ASN 6 2HD2 ASN 6 4.236 -7.855 -10.184 507 H LYS 7 H LYS 7 0.541 -4.267 -10.279 508 HA LYS 7 HA LYS 7 2.161 -1.798 -9.986 509 1HB LYS 7 2HB LYS 7 0.541 -3.046 -12.228 510 2HB LYS 7 1HB LYS 7 1.393 -1.508 -12.397 511 1HG LYS 7 2HG LYS 7 3.531 -2.618 -11.883 512 2HG LYS 7 1HG LYS 7 2.692 -4.152 -11.670 513 1HD LYS 7 2HD LYS 7 1.889 -3.981 -14.043 514 2HD LYS 7 1HD LYS 7 2.893 -2.543 -14.229 515 1HE LYS 7 2HE LYS 7 4.207 -4.385 -15.062 516 2HE LYS 7 1HE LYS 7 4.873 -4.001 -13.466 517 1HZ LYS 7 2HZ LYS 7 2.688 -5.985 -13.812 518 2HZ LYS 7 1HZ LYS 7 4.323 -6.431 -13.917 519 3HZ LYS 7 3HZ LYS 7 3.717 -5.775 -12.476 520 H GLU 8 H GLU 8 -1.155 -2.877 -10.099 521 HA GLU 8 HA GLU 8 -2.284 -0.205 -10.128 522 1HB GLU 8 2HB GLU 8 -4.414 -1.421 -9.716 523 2HB GLU 8 1HB GLU 8 -3.504 -2.113 -11.053 524 1HG GLU 8 2HG GLU 8 -2.573 -3.803 -9.399 525 2HG GLU 8 1HG GLU 8 -3.740 -3.190 -8.230 526 H LEU 9 H LEU 9 -1.079 -2.296 -7.558 527 HA LEU 9 HA LEU 9 -2.593 -0.939 -5.462 528 1HB LEU 9 2HB LEU 9 0.071 -2.273 -5.008 529 2HB LEU 9 1HB LEU 9 -1.240 -2.038 -3.909 530 HG LEU 9 HG LEU 9 -1.740 -3.740 -6.312 531 1HD1 LEU 9 2HD1 LEU 9 0.199 -4.233 -4.191 532 2HD1 LEU 9 1HD1 LEU 9 -1.110 -5.409 -4.103 533 3HD1 LEU 9 3HD1 LEU 9 -0.166 -5.254 -5.586 534 1HD2 LEU 9 2HD2 LEU 9 -2.768 -3.665 -3.446 535 2HD2 LEU 9 1HD2 LEU 9 -3.616 -3.012 -4.851 536 3HD2 LEU 9 3HD2 LEU 9 -3.347 -4.756 -4.702 537 H SER 10 H SER 10 0.345 -0.203 -7.256 538 HA SER 10 HA SER 10 1.565 1.581 -5.353 539 1HB SER 10 2HB SER 10 2.799 2.333 -7.264 540 2HB SER 10 1HB SER 10 2.500 0.621 -7.497 541 HG SER 10 HG SER 10 1.775 2.716 -9.017 542 H VAL 11 H VAL 11 -0.828 2.096 -7.961 543 HA VAL 11 HA VAL 11 -1.245 4.936 -7.260 544 HB VAL 11 HB VAL 11 -2.734 3.127 -9.195 545 1HG1 VAL 11 3HG1 VAL 11 -2.301 6.128 -9.101 546 2HG1 VAL 11 2HG1 VAL 11 -3.127 5.263 -10.399 547 3HG1 VAL 11 1HG1 VAL 11 -3.815 5.283 -8.774 548 1HG2 VAL 11 3HG2 VAL 11 -0.180 4.729 -9.602 549 2HG2 VAL 11 2HG2 VAL 11 -0.336 2.971 -9.676 550 3HG2 VAL 11 1HG2 VAL 11 -1.107 3.982 -10.904 551 H ALA 12 H ALA 12 -3.245 1.937 -7.251 552 HA ALA 12 HA ALA 12 -5.577 3.050 -6.030 553 1HB ALA 12 1HB ALA 12 -5.299 0.835 -7.240 554 2HB ALA 12 2HB ALA 12 -6.240 0.762 -5.752 555 3HB ALA 12 3HB ALA 12 -4.559 0.217 -5.758 556 H GLY 13 H GLY 13 -2.906 1.267 -4.607 557 1HA GLY 13 1HA GLY 13 -2.129 1.077 -2.447 558 2HA GLY 13 2HA GLY 13 -3.782 1.372 -1.913 559 H ARG 14 H ARG 14 -1.279 3.370 -3.548 560 HA ARG 14 HA ARG 14 -0.769 5.003 -1.289 561 1HB ARG 14 2HB ARG 14 0.548 4.748 -3.450 562 2HB ARG 14 1HB ARG 14 -0.564 5.918 -4.162 563 1HG ARG 14 2HG ARG 14 1.372 7.114 -3.326 564 2HG ARG 14 1HG ARG 14 -0.005 7.492 -2.295 565 1HD ARG 14 2HD ARG 14 0.984 6.592 -0.477 566 2HD ARG 14 1HD ARG 14 1.447 5.130 -1.366 567 HE ARG 14 HE ARG 14 3.527 6.148 -1.889 568 1HH1 ARG 14 1HH1 ARG 14 3.580 7.369 0.760 569 2HH1 ARG 14 2HH1 ARG 14 3.763 9.060 0.427 570 1HH2 ARG 14 1HH2 ARG 14 2.795 8.778 -2.910 571 2HH2 ARG 14 2HH2 ARG 14 3.314 9.862 -1.664 572 H GLU 15 H GLU 15 -3.245 5.480 -3.865 573 HA GLU 15 HA GLU 15 -4.073 8.126 -3.016 574 1HB GLU 15 2HB GLU 15 -5.379 5.845 -4.522 575 2HB GLU 15 1HB GLU 15 -6.234 7.355 -4.212 576 1HG GLU 15 2HG GLU 15 -3.556 7.157 -5.628 577 2HG GLU 15 1HG GLU 15 -5.108 7.327 -6.444 578 H ILE 16 H ILE 16 -5.155 4.838 -2.168 579 HA ILE 16 HA ILE 16 -7.206 5.567 -0.271 580 HB ILE 16 HB ILE 16 -5.533 3.087 -0.817 581 1HG1 ILE 16 2HG1 ILE 16 -8.493 3.430 -1.252 582 2HG1 ILE 16 1HG1 ILE 16 -7.363 4.123 -2.407 583 1HG2 ILE 16 2HG2 ILE 16 -7.729 3.531 1.209 584 2HG2 ILE 16 1HG2 ILE 16 -7.468 1.939 0.485 585 3HG2 ILE 16 3HG2 ILE 16 -6.183 2.708 1.423 586 1HD1 ILE 16 1HD1 ILE 16 -6.385 1.561 -2.063 587 2HD1 ILE 16 3HD1 ILE 16 -8.131 1.333 -1.986 588 3HD1 ILE 16 2HD1 ILE 16 -7.407 2.103 -3.399 589 H VAL 17 H VAL 17 -3.713 5.227 -0.107 590 HA VAL 17 HA VAL 17 -3.354 5.117 2.763 591 HB VAL 17 HB VAL 17 -1.684 5.680 0.319 592 1HG1 VAL 17 3HG1 VAL 17 -0.982 6.510 3.046 593 2HG1 VAL 17 2HG1 VAL 17 0.219 5.491 2.260 594 3HG1 VAL 17 1HG1 VAL 17 -0.290 6.999 1.496 595 1HG2 VAL 17 3HG2 VAL 17 -2.214 3.449 2.104 596 2HG2 VAL 17 2HG2 VAL 17 -1.490 3.478 0.476 597 3HG2 VAL 17 1HG2 VAL 17 -0.483 3.753 1.889 598 H THR 18 H THR 18 -3.488 7.826 0.388 599 HA THR 18 HA THR 18 -3.423 9.695 2.728 600 HB THR 18 HB THR 18 -1.252 9.379 1.523 601 HG1 THR 18 HG1 THR 18 -1.238 11.276 2.458 602 1HG2 THR 18 1HG2 THR 18 -2.842 9.589 -0.783 603 2HG2 THR 18 3HG2 THR 18 -1.907 11.083 -0.737 604 3HG2 THR 18 2HG2 THR 18 -1.082 9.525 -0.716 605 H LEU 19 H LEU 19 -5.923 8.887 1.017 606 HA LEU 19 HA LEU 19 -6.492 11.180 -0.665 607 1HB LEU 19 2HB LEU 19 -8.894 10.462 -0.335 608 2HB LEU 19 1HB LEU 19 -7.809 9.214 -0.930 609 HG LEU 19 HG LEU 19 -7.947 9.266 1.993 610 1HD1 LEU 19 1HD1 LEU 19 -10.427 9.142 0.316 611 2HD1 LEU 19 3HD1 LEU 19 -10.308 8.124 1.750 612 3HD1 LEU 19 2HD1 LEU 19 -10.177 9.874 1.901 613 1HD2 LEU 19 2HD2 LEU 19 -8.210 7.282 -0.266 614 2HD2 LEU 19 1HD2 LEU 19 -7.016 7.328 1.023 615 3HD2 LEU 19 3HD2 LEU 19 -8.665 6.812 1.372 616 HA PRO 20 HA PRO 20 -6.896 14.577 1.938 617 1HB PRO 20 2HB PRO 20 -9.170 15.846 1.061 618 2HB PRO 20 1HB PRO 20 -7.613 15.846 0.206 619 1HG PRO 20 2HG PRO 20 -9.998 14.092 -0.219 620 2HG PRO 20 1HG PRO 20 -9.009 14.950 -1.415 621 1HD PRO 20 1HD PRO 20 -8.644 12.352 -0.988 622 2HD PRO 20 2HD PRO 20 -7.249 13.427 -1.246 623 H ASN 21 H ASN 21 -9.820 12.522 2.186 624 HA ASN 21 HA ASN 21 -10.350 13.896 4.819 625 1HB ASN 21 2HB ASN 21 -12.253 12.693 2.816 626 2HB ASN 21 1HB ASN 21 -12.737 13.300 4.384 627 1HD2 ASN 21 1HD2 ASN 21 -13.763 14.354 1.929 628 2HD2 ASN 21 2HD2 ASN 21 -13.233 15.962 1.783 629 H LEU 22 H LEU 22 -8.879 11.155 4.087 630 HA LEU 22 HA LEU 22 -10.656 9.338 5.657 631 1HB LEU 22 2HB LEU 22 -9.387 8.863 3.395 632 2HB LEU 22 1HB LEU 22 -8.058 8.509 4.483 633 HG LEU 22 HG LEU 22 -9.935 7.093 5.731 634 1HD1 LEU 22 2HD1 LEU 22 -11.555 7.925 3.837 635 2HD1 LEU 22 1HD1 LEU 22 -10.784 6.658 2.883 636 3HD1 LEU 22 3HD1 LEU 22 -11.632 6.249 4.373 637 1HD2 LEU 22 1HD2 LEU 22 -8.061 6.489 3.496 638 2HD2 LEU 22 3HD2 LEU 22 -8.117 5.836 5.137 639 3HD2 LEU 22 2HD2 LEU 22 -9.233 5.232 3.912 640 H ASN 23 H ASN 23 -9.796 8.103 7.365 641 HA ASN 23 HA ASN 23 -7.610 9.469 8.901 642 1HB ASN 23 2HB ASN 23 -8.637 8.424 10.879 643 2HB ASN 23 1HB ASN 23 -9.836 9.326 9.966 644 1HD2 ASN 23 1HD2 ASN 23 -11.359 7.822 11.258 645 2HD2 ASN 23 2HD2 ASN 23 -11.696 6.297 10.597 646 H ASP 24 H ASP 24 -6.079 8.020 10.114 647 HA ASP 24 HA ASP 24 -4.754 6.231 8.418 648 1HB ASP 24 2HB ASP 24 -3.326 5.744 10.331 649 2HB ASP 24 1HB ASP 24 -3.715 7.455 10.255 650 HA PRO 25 HA PRO 25 -6.553 2.421 10.765 651 1HB PRO 25 2HB PRO 25 -9.164 2.586 11.592 652 2HB PRO 25 1HB PRO 25 -7.782 2.942 12.645 653 1HG PRO 25 2HG PRO 25 -9.572 4.814 11.178 654 2HG PRO 25 1HG PRO 25 -8.906 4.940 12.813 655 1HD PRO 25 1HD PRO 25 -7.893 6.300 10.711 656 2HD PRO 25 2HD PRO 25 -6.907 5.763 12.078 657 H GLN 26 H GLN 26 -8.969 4.437 8.929 658 HA GLN 26 HA GLN 26 -10.264 2.218 7.632 659 1HB GLN 26 2HB GLN 26 -9.919 5.150 6.959 660 2HB GLN 26 1HB GLN 26 -10.915 4.069 5.985 661 1HG GLN 26 2HG GLN 26 -12.342 3.562 7.860 662 2HG GLN 26 1HG GLN 26 -11.265 4.390 8.978 663 1HE2 GLN 26 1HE2 GLN 26 -13.725 5.339 9.195 664 2HE2 GLN 26 2HE2 GLN 26 -13.960 6.795 8.361 665 H LYS 27 H LYS 27 -7.669 4.409 6.390 666 HA LYS 27 HA LYS 27 -7.198 3.053 3.928 667 1HB LYS 27 2HB LYS 27 -4.812 3.961 4.231 668 2HB LYS 27 1HB LYS 27 -6.129 5.129 4.147 669 1HG LYS 27 2HG LYS 27 -6.065 5.036 6.753 670 2HG LYS 27 1HG LYS 27 -4.497 4.275 6.531 671 1HD LYS 27 2HD LYS 27 -4.081 6.625 6.738 672 2HD LYS 27 1HD LYS 27 -3.885 6.225 5.039 673 1HE LYS 27 2HE LYS 27 -5.693 7.466 4.389 674 2HE LYS 27 1HE LYS 27 -6.634 7.025 5.821 675 1HZ LYS 27 2HZ LYS 27 -5.174 8.459 7.154 676 2HZ LYS 27 1HZ LYS 27 -4.349 8.929 5.744 677 3HZ LYS 27 3HZ LYS 27 -5.983 9.340 5.948 678 H LYS 28 H LYS 28 -5.956 2.396 7.167 679 HA LYS 28 HA LYS 28 -3.954 0.474 6.534 680 1HB LYS 28 2HB LYS 28 -5.430 1.476 8.828 681 2HB LYS 28 1HB LYS 28 -5.326 -0.279 8.942 682 1HG LYS 28 2HG LYS 28 -2.885 1.251 8.188 683 2HG LYS 28 1HG LYS 28 -3.383 1.248 9.874 684 1HD LYS 28 2HD LYS 28 -2.955 -0.985 10.145 685 2HD LYS 28 1HD LYS 28 -3.416 -1.374 8.487 686 1HE LYS 28 2HE LYS 28 -1.049 -1.737 8.601 687 2HE LYS 28 1HE LYS 28 -1.269 -0.200 7.754 688 1HZ LYS 28 3HZ LYS 28 -0.795 -0.484 10.684 689 2HZ LYS 28 2HZ LYS 28 0.388 -0.038 9.550 690 3HZ LYS 28 1HZ LYS 28 -0.943 0.979 9.835 691 H ALA 29 H ALA 29 -7.342 -0.233 7.623 692 HA ALA 29 HA ALA 29 -7.320 -3.015 6.879 693 1HB ALA 29 2HB ALA 29 -9.791 -2.757 7.093 694 2HB ALA 29 3HB ALA 29 -9.592 -1.006 7.104 695 3HB ALA 29 1HB ALA 29 -8.939 -1.975 8.426 696 H PHE 30 H PHE 30 -8.047 -0.057 5.086 697 HA PHE 30 HA PHE 30 -9.268 -1.142 2.732 698 1HB PHE 30 2HB PHE 30 -8.215 1.346 3.756 699 2HB PHE 30 1HB PHE 30 -7.641 1.121 2.121 700 HD1 PHE 30 HD1 PHE 30 -10.454 1.977 4.198 701 HD2 PHE 30 HD2 PHE 30 -9.270 0.600 0.313 702 HE1 PHE 30 HE1 PHE 30 -12.660 2.654 3.300 703 HE2 PHE 30 HE2 PHE 30 -11.484 1.266 -0.585 704 HZ PHE 30 HZ PHE 30 -13.173 2.301 0.909 705 H ILE 31 H ILE 31 -5.879 -0.216 3.343 706 HA ILE 31 HA ILE 31 -4.871 -1.140 0.823 707 HB ILE 31 HB ILE 31 -3.776 -0.430 3.536 708 1HG1 ILE 31 2HG1 ILE 31 -4.041 0.789 0.846 709 2HG1 ILE 31 1HG1 ILE 31 -4.033 1.557 2.441 710 1HG2 ILE 31 1HG2 ILE 31 -2.443 -2.392 2.293 711 2HG2 ILE 31 3HG2 ILE 31 -1.824 -1.040 1.331 712 3HG2 ILE 31 2HG2 ILE 31 -1.596 -1.072 3.082 713 1HD1 ILE 31 3HD1 ILE 31 -1.510 0.393 1.360 714 2HD1 ILE 31 2HD1 ILE 31 -2.078 1.929 0.764 715 3HD1 ILE 31 1HD1 ILE 31 -1.750 1.723 2.496 716 H PHE 32 H PHE 32 -5.108 -2.604 4.074 717 HA PHE 32 HA PHE 32 -3.746 -5.035 3.455 718 1HB PHE 32 2HB PHE 32 -5.649 -4.054 5.575 719 2HB PHE 32 1HB PHE 32 -5.249 -5.771 5.521 720 HD1 PHE 32 HD1 PHE 32 -3.307 -2.437 5.148 721 HD2 PHE 32 HD2 PHE 32 -3.419 -6.460 6.928 722 HE1 PHE 32 HE1 PHE 32 -1.185 -2.059 6.268 723 HE2 PHE 32 HE2 PHE 32 -1.271 -5.980 7.976 724 HZ PHE 32 HZ PHE 32 -0.160 -3.845 7.624 725 H SER 33 H SER 33 -7.155 -3.991 2.867 726 HA SER 33 HA SER 33 -7.919 -6.703 1.938 727 1HB SER 33 2HB SER 33 -10.048 -5.603 1.380 728 2HB SER 33 1HB SER 33 -9.546 -5.143 2.997 729 HG SER 33 HG SER 33 -9.512 -3.166 2.342 730 H LEU 34 H LEU 34 -6.730 -3.645 0.565 731 HA LEU 34 HA LEU 34 -7.102 -4.180 -2.254 732 1HB LEU 34 2HB LEU 34 -6.646 -1.959 -1.422 733 2HB LEU 34 1HB LEU 34 -5.194 -2.477 -0.601 734 HG LEU 34 HG LEU 34 -4.316 -3.017 -2.946 735 1HD1 LEU 34 2HD1 LEU 34 -6.519 -2.883 -4.095 736 2HD1 LEU 34 1HD1 LEU 34 -6.595 -1.160 -3.706 737 3HD1 LEU 34 3HD1 LEU 34 -5.340 -1.769 -4.789 738 1HD2 LEU 34 2HD2 LEU 34 -3.796 -0.962 -1.439 739 2HD2 LEU 34 1HD2 LEU 34 -3.428 -0.827 -3.162 740 3HD2 LEU 34 3HD2 LEU 34 -4.892 -0.087 -2.518 741 H TRP 35 H TRP 35 -4.463 -4.864 0.035 742 HA TRP 35 HA TRP 35 -2.596 -6.034 -1.825 743 1HB TRP 35 2HB TRP 35 -2.123 -5.147 0.461 744 2HB TRP 35 1HB TRP 35 -2.969 -6.535 1.138 745 HD1 TRP 35 HD1 TRP 35 -1.559 -8.645 1.485 746 HE1 TRP 35 HE1 TRP 35 0.704 -9.482 0.628 747 HE3 TRP 35 HE3 TRP 35 -0.452 -4.922 -1.788 748 HZ2 TRP 35 HZ2 TRP 35 2.753 -8.649 -1.199 749 HZ3 TRP 35 HZ3 TRP 35 1.655 -4.972 -3.074 750 HH2 TRP 35 HH2 TRP 35 3.248 -6.811 -2.777 751 H ASP 36 H ASP 36 -5.075 -7.447 0.361 752 HA ASP 36 HA ASP 36 -4.513 -10.210 -0.243 753 1HB ASP 36 2HB ASP 36 -5.751 -9.038 1.755 754 2HB ASP 36 1HB ASP 36 -7.168 -9.136 0.713 755 H ASP 37 H ASP 37 -7.035 -7.918 -1.388 756 HA ASP 37 HA ASP 37 -7.450 -9.724 -3.710 757 1HB ASP 37 2HB ASP 37 -9.676 -8.210 -2.314 758 2HB ASP 37 1HB ASP 37 -9.831 -9.504 -3.493 759 HA PRO 38 HA PRO 38 -6.586 -5.383 -5.126 760 1HB PRO 38 2HB PRO 38 -4.995 -6.108 -7.215 761 2HB PRO 38 1HB PRO 38 -4.395 -5.808 -5.576 762 1HG PRO 38 2HG PRO 38 -5.041 -8.415 -6.893 763 2HG PRO 38 1HG PRO 38 -3.644 -7.983 -5.893 764 1HD PRO 38 1HD PRO 38 -5.709 -9.375 -4.893 765 2HD PRO 38 2HD PRO 38 -4.824 -8.174 -3.918 766 H SER 39 H SER 39 -8.221 -8.158 -6.319 767 HA SER 39 HA SER 39 -8.891 -7.390 -9.011 768 1HB SER 39 2HB SER 39 -9.468 -9.463 -7.285 769 2HB SER 39 1HB SER 39 -11.002 -8.611 -7.322 770 HG SER 39 HG SER 39 -9.585 -9.861 -9.401 771 H GLN 40 H GLN 40 -10.075 -6.461 -5.802 772 HA GLN 40 HA GLN 40 -12.143 -4.597 -6.857 773 1HB GLN 40 2HB GLN 40 -11.263 -4.865 -3.980 774 2HB GLN 40 1HB GLN 40 -12.853 -4.447 -4.596 775 1HG GLN 40 2HG GLN 40 -11.540 -7.174 -4.591 776 2HG GLN 40 1HG GLN 40 -12.935 -6.669 -3.652 777 1HE2 GLN 40 1HE2 GLN 40 -12.485 -8.760 -5.945 778 2HE2 GLN 40 2HE2 GLN 40 -13.776 -8.450 -7.004 779 H SER 41 H SER 41 -8.909 -4.296 -6.896 780 HA SER 41 HA SER 41 -8.055 -2.195 -5.246 781 1HB SER 41 2HB SER 41 -6.639 -3.553 -6.623 782 2HB SER 41 1HB SER 41 -7.364 -2.897 -8.084 783 HG SER 41 HG SER 41 -5.331 -1.926 -7.459 784 H ALA 42 H ALA 42 -9.543 -1.908 -8.524 785 HA ALA 42 HA ALA 42 -9.457 0.975 -8.666 786 1HB ALA 42 1HB ALA 42 -11.361 -1.059 -9.905 787 2HB ALA 42 3HB ALA 42 -11.175 0.611 -10.443 788 3HB ALA 42 2HB ALA 42 -9.833 -0.521 -10.605 789 H ASN 43 H ASN 43 -11.940 -1.341 -7.528 790 HA ASN 43 HA ASN 43 -13.905 0.582 -6.732 791 1HB ASN 43 2HB ASN 43 -14.217 -1.887 -7.163 792 2HB ASN 43 1HB ASN 43 -13.384 -2.202 -5.642 793 1HD2 ASN 43 1HD2 ASN 43 -14.563 -1.875 -3.674 794 2HD2 ASN 43 2HD2 ASN 43 -16.191 -1.400 -3.641 795 H LEU 44 H LEU 44 -11.034 -0.801 -5.109 796 HA LEU 44 HA LEU 44 -11.652 0.040 -2.419 797 1HB LEU 44 2HB LEU 44 -9.334 -0.933 -4.006 798 2HB LEU 44 1HB LEU 44 -8.951 -0.097 -2.506 799 HG LEU 44 HG LEU 44 -11.135 -2.099 -2.365 800 1HD1 LEU 44 1HD1 LEU 44 -8.578 -2.764 -3.513 801 2HD1 LEU 44 3HD1 LEU 44 -8.715 -3.515 -1.918 802 3HD1 LEU 44 2HD1 LEU 44 -9.937 -3.837 -3.149 803 1HD2 LEU 44 3HD2 LEU 44 -8.839 -1.094 -0.670 804 2HD2 LEU 44 2HD2 LEU 44 -10.578 -1.013 -0.351 805 3HD2 LEU 44 1HD2 LEU 44 -9.731 -2.558 -0.228 806 H LEU 45 H LEU 45 -9.586 1.457 -4.889 807 HA LEU 45 HA LEU 45 -8.806 3.853 -3.586 808 1HB LEU 45 2HB LEU 45 -8.356 2.650 -6.001 809 2HB LEU 45 1HB LEU 45 -9.418 3.967 -6.497 810 HG LEU 45 HG LEU 45 -6.824 4.224 -4.951 811 1HD1 LEU 45 1HD1 LEU 45 -6.847 3.788 -7.493 812 2HD1 LEU 45 3HD1 LEU 45 -7.524 5.411 -7.636 813 3HD1 LEU 45 2HD1 LEU 45 -5.931 5.181 -6.917 814 1HD2 LEU 45 2HD2 LEU 45 -9.075 6.120 -5.480 815 2HD2 LEU 45 1HD2 LEU 45 -8.011 5.991 -4.075 816 3HD2 LEU 45 3HD2 LEU 45 -7.430 6.751 -5.560 817 H ALA 46 H ALA 46 -11.660 3.127 -5.601 818 HA ALA 46 HA ALA 46 -12.909 5.736 -5.485 819 1HB ALA 46 3HB ALA 46 -14.934 4.229 -6.061 820 2HB ALA 46 2HB ALA 46 -13.562 4.176 -7.169 821 3HB ALA 46 1HB ALA 46 -13.791 2.889 -5.983 822 H GLU 47 H GLU 47 -13.332 2.717 -3.600 823 HA GLU 47 HA GLU 47 -15.361 3.554 -1.805 824 1HB GLU 47 2HB GLU 47 -14.289 1.229 -2.311 825 2HB GLU 47 1HB GLU 47 -13.089 1.678 -1.098 826 1HG GLU 47 2HG GLU 47 -14.827 0.438 0.033 827 2HG GLU 47 1HG GLU 47 -15.027 2.128 0.488 828 H ALA 48 H ALA 48 -11.844 3.973 -1.748 829 HA ALA 48 HA ALA 48 -11.539 4.933 0.950 830 1HB ALA 48 2HB ALA 48 -9.412 4.677 0.174 831 2HB ALA 48 3HB ALA 48 -9.607 6.164 -0.753 832 3HB ALA 48 1HB ALA 48 -9.986 4.594 -1.496 833 H LYS 49 H LYS 49 -11.934 6.640 -2.185 834 HA LYS 49 HA LYS 49 -12.123 9.316 -1.105 835 1HB LYS 49 2HB LYS 49 -13.158 8.029 -3.660 836 2HB LYS 49 1HB LYS 49 -13.109 9.770 -3.381 837 1HG LYS 49 2HG LYS 49 -10.639 9.602 -3.006 838 2HG LYS 49 1HG LYS 49 -10.723 7.893 -3.425 839 1HD LYS 49 2HD LYS 49 -11.747 8.584 -5.638 840 2HD LYS 49 1HD LYS 49 -11.360 10.252 -5.213 841 1HE LYS 49 2HE LYS 49 -9.197 8.155 -5.078 842 2HE LYS 49 1HE LYS 49 -9.626 8.874 -6.639 843 1HZ LYS 49 2HZ LYS 49 -9.330 11.078 -5.670 844 2HZ LYS 49 1HZ LYS 49 -8.907 10.391 -4.175 845 3HZ LYS 49 3HZ LYS 49 -7.902 10.169 -5.523 846 H LYS 50 H LYS 50 -14.602 6.857 -1.954 847 HA LYS 50 HA LYS 50 -16.958 8.393 -1.392 848 1HB LYS 50 2HB LYS 50 -16.260 5.444 -1.243 849 2HB LYS 50 1HB LYS 50 -17.897 6.028 -0.951 850 1HG LYS 50 2HG LYS 50 -18.171 6.770 -3.158 851 2HG LYS 50 1HG LYS 50 -16.435 6.878 -3.442 852 1HD LYS 50 2HD LYS 50 -17.254 4.947 -4.645 853 2HD LYS 50 1HD LYS 50 -16.325 4.365 -3.268 854 1HE LYS 50 2HE LYS 50 -18.484 4.106 -1.990 855 2HE LYS 50 1HE LYS 50 -19.353 4.519 -3.479 856 1HZ LYS 50 2HZ LYS 50 -17.318 2.351 -3.292 857 2HZ LYS 50 1HZ LYS 50 -18.991 2.087 -3.171 858 3HZ LYS 50 3HZ LYS 50 -18.335 2.692 -4.612 859 H LEU 51 H LEU 51 -14.929 6.352 0.743 860 HA LEU 51 HA LEU 51 -16.489 6.752 3.152 861 1HB LEU 51 2HB LEU 51 -14.996 4.845 2.801 862 2HB LEU 51 1HB LEU 51 -13.608 5.915 2.626 863 HG LEU 51 HG LEU 51 -13.737 6.570 4.955 864 1HD1 LEU 51 1HD1 LEU 51 -16.369 5.072 4.924 865 2HD1 LEU 51 3HD1 LEU 51 -15.519 5.441 6.425 866 3HD1 LEU 51 2HD1 LEU 51 -16.079 6.752 5.384 867 1HD2 LEU 51 2HD2 LEU 51 -14.029 3.607 4.443 868 2HD2 LEU 51 1HD2 LEU 51 -12.551 4.527 4.727 869 3HD2 LEU 51 3HD2 LEU 51 -13.677 4.234 6.051 870 H ASN 52 H ASN 52 -13.693 8.468 1.711 871 HA ASN 52 HA ASN 52 -13.040 10.179 3.891 872 1HB ASN 52 2HB ASN 52 -11.541 10.909 2.360 873 2HB ASN 52 1HB ASN 52 -12.189 9.684 1.303 874 1HD2 ASN 52 1HD2 ASN 52 -10.921 12.271 0.547 875 2HD2 ASN 52 2HD2 ASN 52 -12.084 13.146 -0.322 876 H ASP 53 H ASP 53 -15.640 10.354 1.476 877 HA ASP 53 HA ASP 53 -16.447 13.059 1.917 878 1HB ASP 53 2HB ASP 53 -16.993 11.432 0.010 879 2HB ASP 53 1HB ASP 53 -18.204 10.732 1.084 880 H ALA 54 H ALA 54 -17.335 9.982 3.503 881 HA ALA 54 HA ALA 54 -19.615 10.908 4.994 882 1HB ALA 54 2HB ALA 54 -18.639 8.543 4.482 883 2HB ALA 54 1HB ALA 54 -17.653 8.810 5.920 884 3HB ALA 54 3HB ALA 54 -19.412 8.803 6.047 885 H GLN 55 H GLN 55 -16.124 11.000 5.656 886 HA GLN 55 HA GLN 55 -16.450 12.055 8.389 887 1HB GLN 55 2HB GLN 55 -14.177 11.390 6.509 888 2HB GLN 55 1HB GLN 55 -13.879 12.101 8.082 889 1HG GLN 55 2HG GLN 55 -14.901 10.240 9.218 890 2HG GLN 55 1HG GLN 55 -15.499 9.576 7.696 891 1HE2 GLN 55 1HE2 GLN 55 -13.396 9.580 6.012 892 2HE2 GLN 55 2HE2 GLN 55 -12.087 8.700 6.647 893 H ALA 56 H ALA 56 -15.568 13.259 5.145 894 HA ALA 56 HA ALA 56 -15.999 16.067 6.035 895 1HB ALA 56 1HB ALA 56 -13.731 16.085 6.402 896 2HB ALA 56 2HB ALA 56 -13.679 16.309 4.653 897 3HB ALA 56 3HB ALA 56 -13.463 14.700 5.344 898 HA PRO 57 HA PRO 57 -17.609 16.321 1.888 899 1HB PRO 57 2HB PRO 57 -17.315 18.991 1.369 900 2HB PRO 57 1HB PRO 57 -18.557 18.352 2.464 901 1HG PRO 57 2HG PRO 57 -15.923 19.580 3.100 902 2HG PRO 57 1HG PRO 57 -17.485 19.785 3.908 903 1HD PRO 57 1HD PRO 57 -15.511 18.186 4.875 904 2HD PRO 57 2HD PRO 57 -17.238 17.870 5.156 905 H LYS 58 H LYS 58 -16.773 16.165 -0.214 906 HA LYS 58 HA LYS 58 -13.885 16.091 -0.574 907 1HB LYS 58 2HB LYS 58 -16.273 15.813 -2.422 908 2HB LYS 58 1HB LYS 58 -14.614 15.640 -2.991 909 1HG LYS 58 2HG LYS 58 -14.251 13.835 -1.317 910 2HG LYS 58 1HG LYS 58 -15.937 13.978 -0.824 911 1HD LYS 58 2HD LYS 58 -16.609 13.499 -3.201 912 2HD LYS 58 1HD LYS 58 -14.912 13.191 -3.565 913 1HE LYS 58 2HE LYS 58 -15.160 11.061 -2.833 914 2HE LYS 58 1HE LYS 58 -15.577 11.677 -1.225 915 1HZ LYS 58 3HZ LYS 58 -17.860 12.076 -2.077 916 2HZ LYS 58 2HZ LYS 58 -17.429 11.289 -3.521 917 3HZ LYS 58 1HZ LYS 58 -17.432 10.436 -2.052 No H/Q in entry = 917 Start of MODEL 4 1 H1 VAL 1 2H VAL 1 -0.650 -17.750 3.845 2 H2 VAL 1 1H VAL 1 -1.377 -19.248 3.503 3 H3 VAL 1 3H VAL 1 -2.339 -17.884 3.804 4 HA VAL 1 HA VAL 1 -1.730 -17.820 6.097 5 HB VAL 1 HB VAL 1 -2.332 -20.619 5.049 6 1HG1 VAL 1 2HG1 VAL 1 -2.539 -19.462 7.844 7 2HG1 VAL 1 1HG1 VAL 1 -3.389 -20.923 7.342 8 3HG1 VAL 1 3HG1 VAL 1 -1.626 -20.883 7.336 9 1HG2 VAL 1 2HG2 VAL 1 -4.039 -18.258 5.880 10 2HG2 VAL 1 1HG2 VAL 1 -4.052 -19.124 4.342 11 3HG2 VAL 1 3HG2 VAL 1 -4.687 -19.896 5.795 12 H ASP 2 H ASP 2 0.262 -17.569 7.050 13 HA ASP 2 HA ASP 2 2.044 -19.905 7.334 14 1HB ASP 2 2HB ASP 2 3.979 -18.652 6.333 15 2HB ASP 2 1HB ASP 2 2.709 -19.007 5.168 16 H ASN 3 H ASN 3 4.285 -18.750 8.399 17 HA ASN 3 HA ASN 3 3.485 -18.039 11.047 18 1HB ASN 3 2HB ASN 3 5.777 -18.146 11.518 19 2HB ASN 3 1HB ASN 3 5.618 -19.177 10.104 20 1HD2 ASN 3 1HD2 ASN 3 6.219 -18.082 7.929 21 2HD2 ASN 3 2HD2 ASN 3 7.405 -16.874 7.958 22 H LYS 4 H LYS 4 4.621 -15.846 8.399 23 HA LYS 4 HA LYS 4 3.478 -13.559 9.903 24 1HB LYS 4 2HB LYS 4 5.595 -12.336 10.010 25 2HB LYS 4 1HB LYS 4 5.757 -13.880 10.838 26 1HG LYS 4 2HG LYS 4 6.795 -14.805 8.734 27 2HG LYS 4 1HG LYS 4 6.751 -13.178 8.060 28 1HD LYS 4 2HD LYS 4 7.933 -13.222 10.734 29 2HD LYS 4 1HD LYS 4 8.808 -14.252 9.602 30 1HE LYS 4 2HE LYS 4 9.845 -12.307 8.973 31 2HE LYS 4 1HE LYS 4 8.351 -11.996 8.068 32 1HZ LYS 4 2HZ LYS 4 7.432 -11.024 10.163 33 2HZ LYS 4 1HZ LYS 4 8.986 -11.134 10.843 34 3HZ LYS 4 3HZ LYS 4 8.719 -10.139 9.498 35 H PHE 5 H PHE 5 5.306 -14.546 6.996 36 HA PHE 5 HA PHE 5 5.256 -12.297 5.396 37 1HB PHE 5 2HB PHE 5 4.681 -15.158 4.576 38 2HB PHE 5 1HB PHE 5 5.218 -13.885 3.491 39 HD1 PHE 5 HD1 PHE 5 7.070 -12.728 5.963 40 HD2 PHE 5 HD2 PHE 5 6.688 -16.464 3.855 41 HE1 PHE 5 HE1 PHE 5 9.426 -13.277 6.493 42 HE2 PHE 5 HE2 PHE 5 9.042 -17.008 4.405 43 HZ PHE 5 HZ PHE 5 10.410 -15.418 5.722 44 H ASN 6 H ASN 6 2.407 -14.317 6.132 45 HA ASN 6 HA ASN 6 0.615 -13.547 4.093 46 1HB ASN 6 2HB ASN 6 0.431 -15.110 6.220 47 2HB ASN 6 1HB ASN 6 -0.259 -13.673 6.972 48 1HD2 ASN 6 1HD2 ASN 6 -2.056 -12.580 5.451 49 2HD2 ASN 6 2HD2 ASN 6 -3.129 -13.668 4.716 50 H LYS 7 H LYS 7 0.971 -11.858 7.296 51 HA LYS 7 HA LYS 7 -0.321 -9.462 6.102 52 1HB LYS 7 2HB LYS 7 -1.185 -10.031 8.227 53 2HB LYS 7 1HB LYS 7 0.440 -10.253 8.913 54 1HG LYS 7 2HG LYS 7 0.810 -7.772 8.468 55 2HG LYS 7 1HG LYS 7 -0.906 -7.668 8.072 56 1HD LYS 7 2HD LYS 7 -1.535 -8.369 10.253 57 2HD LYS 7 1HD LYS 7 0.132 -8.816 10.648 58 1HE LYS 7 2HE LYS 7 -0.504 -5.965 9.872 59 2HE LYS 7 1HE LYS 7 -0.804 -6.513 11.531 60 1HZ LYS 7 3HZ LYS 7 1.479 -7.338 11.632 61 2HZ LYS 7 2HZ LYS 7 1.771 -6.782 10.052 62 3HZ LYS 7 1HZ LYS 7 1.459 -5.676 11.300 63 H GLU 8 H GLU 8 2.925 -10.565 6.918 64 HA GLU 8 HA GLU 8 4.222 -8.057 7.333 65 1HB GLU 8 2HB GLU 8 5.123 -10.641 6.036 66 2HB GLU 8 1HB GLU 8 6.199 -9.265 6.254 67 1HG GLU 8 2HG GLU 8 4.679 -10.615 8.503 68 2HG GLU 8 1HG GLU 8 6.374 -10.932 8.098 69 H GLN 9 H GLN 9 3.222 -9.773 4.377 70 HA GLN 9 HA GLN 9 4.288 -7.894 2.497 71 1HB GLN 9 2HB GLN 9 1.948 -9.819 2.403 72 2HB GLN 9 1HB GLN 9 2.529 -8.924 1.005 73 1HG GLN 9 2HG GLN 9 4.675 -10.030 1.110 74 2HG GLN 9 1HG GLN 9 4.225 -10.848 2.608 75 1HE2 GLN 9 1HE2 GLN 9 3.675 -10.782 -0.902 76 2HE2 GLN 9 2HE2 GLN 9 2.811 -12.243 -0.965 77 H GLN 10 H GLN 10 1.215 -8.236 4.228 78 HA GLN 10 HA GLN 10 -0.295 -6.057 3.113 79 1HB GLN 10 2HB GLN 10 -0.476 -8.061 5.113 80 2HB GLN 10 1HB GLN 10 -0.792 -6.544 5.908 81 1HG GLN 10 2HG GLN 10 -2.911 -6.942 5.178 82 2HG GLN 10 1HG GLN 10 -2.294 -6.183 3.721 83 1HE2 GLN 10 1HE2 GLN 10 -3.992 -7.575 2.566 84 2HE2 GLN 10 2HE2 GLN 10 -3.621 -9.196 2.235 85 H ASN 11 H ASN 11 1.709 -6.257 6.065 86 HA ASN 11 HA ASN 11 1.435 -3.477 6.800 87 1HB ASN 11 2HB ASN 11 2.113 -5.562 8.197 88 2HB ASN 11 1HB ASN 11 3.727 -5.342 7.515 89 1HD2 ASN 11 1HD2 ASN 11 5.058 -3.776 8.509 90 2HD2 ASN 11 2HD2 ASN 11 4.517 -2.670 9.677 91 H ALA 12 H ALA 12 3.977 -5.346 5.090 92 HA ALA 12 HA ALA 12 5.816 -3.175 4.689 93 1HB ALA 12 2HB ALA 12 5.253 -5.802 3.299 94 2HB ALA 12 3HB ALA 12 6.601 -5.403 4.370 95 3HB ALA 12 1HB ALA 12 6.531 -4.713 2.744 96 H PHE 13 H PHE 13 3.170 -4.511 2.683 97 HA PHE 13 HA PHE 13 3.398 -2.790 0.410 98 1HB PHE 13 2HB PHE 13 1.929 -4.736 0.385 99 2HB PHE 13 1HB PHE 13 1.060 -4.171 1.802 100 HD1 PHE 13 HD1 PHE 13 -1.119 -3.604 1.229 101 HD2 PHE 13 HD2 PHE 13 2.090 -2.494 -1.381 102 HE1 PHE 13 HE1 PHE 13 -2.730 -2.500 -0.276 103 HE2 PHE 13 HE2 PHE 13 0.479 -1.389 -2.886 104 HZ PHE 13 HZ PHE 13 -1.929 -1.397 -2.326 105 H TYR 14 H TYR 14 1.274 -2.547 3.265 106 HA TYR 14 HA TYR 14 0.175 0.004 2.888 107 1HB TYR 14 2HB TYR 14 -0.453 -1.667 4.567 108 2HB TYR 14 1HB TYR 14 1.051 -1.361 5.437 109 HD1 TYR 14 HD1 TYR 14 1.301 0.537 6.850 110 HD2 TYR 14 HD2 TYR 14 -2.105 0.235 4.247 111 HE1 TYR 14 HE1 TYR 14 0.248 2.463 7.976 112 HE2 TYR 14 HE2 TYR 14 -3.143 2.054 5.371 113 HH TYR 14 HH TYR 14 -1.491 4.208 7.414 114 H GLU 15 H GLU 15 3.107 -0.810 4.843 115 HA GLU 15 HA GLU 15 3.826 1.880 5.466 116 1HB GLU 15 2HB GLU 15 5.374 -0.712 5.274 117 2HB GLU 15 1HB GLU 15 6.112 0.791 5.828 118 1HG GLU 15 2HG GLU 15 3.814 0.736 7.334 119 2HG GLU 15 1HG GLU 15 4.182 -0.984 7.211 120 H ILE 16 H ILE 16 4.837 -0.222 2.694 121 HA ILE 16 HA ILE 16 6.681 1.579 1.458 122 HB ILE 16 HB ILE 16 4.859 -0.651 0.613 123 1HG1 ILE 16 2HG1 ILE 16 7.686 -0.413 -0.257 124 2HG1 ILE 16 1HG1 ILE 16 7.429 -0.470 1.482 125 1HG2 ILE 16 2HG2 ILE 16 6.091 1.297 -1.326 126 2HG2 ILE 16 1HG2 ILE 16 5.808 -0.388 -1.772 127 3HG2 ILE 16 3HG2 ILE 16 4.454 0.646 -1.315 128 1HD1 ILE 16 1HD1 ILE 16 5.844 -2.431 -0.033 129 2HD1 ILE 16 3HD1 ILE 16 7.605 -2.671 -0.129 130 3HD1 ILE 16 2HD1 ILE 16 6.805 -2.632 1.442 131 H LEU 17 H LEU 17 3.130 1.378 1.151 132 HA LEU 17 HA LEU 17 2.824 3.713 -0.583 133 1HB LEU 17 2HB LEU 17 0.870 2.364 1.312 134 2HB LEU 17 1HB LEU 17 0.439 3.484 0.025 135 HG LEU 17 HG LEU 17 2.080 1.271 -0.940 136 1HD1 LEU 17 1HD1 LEU 17 0.244 0.542 1.009 137 2HD1 LEU 17 3HD1 LEU 17 -0.633 0.309 -0.510 138 3HD1 LEU 17 2HD1 LEU 17 0.907 -0.501 -0.240 139 1HD2 LEU 17 2HD2 LEU 17 0.443 3.011 -2.106 140 2HD2 LEU 17 1HD2 LEU 17 0.653 1.354 -2.725 141 3HD2 LEU 17 3HD2 LEU 17 -0.750 1.723 -1.702 142 H HIS 18 H HIS 18 2.737 3.257 2.974 143 HA HIS 18 HA HIS 18 1.934 6.068 3.417 144 1HB HIS 18 2HB HIS 18 2.383 3.638 5.157 145 2HB HIS 18 1HB HIS 18 2.078 5.225 5.857 146 HD1 HIS 18 HD1 HIS 18 -0.330 6.175 5.673 147 HD2 HIS 18 HD2 HIS 18 0.100 2.504 3.774 148 HE1 HIS 18 HE1 HIS 18 -2.652 5.324 5.037 149 H LEU 19 H LEU 19 4.981 4.707 2.807 150 HA LEU 19 HA LEU 19 6.562 6.015 4.875 151 1HB LEU 19 2HB LEU 19 7.081 4.755 2.183 152 2HB LEU 19 1HB LEU 19 8.361 5.691 2.945 153 HG LEU 19 HG LEU 19 6.924 3.427 4.364 154 1HD1 LEU 19 1HD1 LEU 19 9.398 3.405 2.622 155 2HD1 LEU 19 3HD1 LEU 19 9.094 2.164 3.837 156 3HD1 LEU 19 2HD1 LEU 19 7.972 2.378 2.497 157 1HD2 LEU 19 2HD2 LEU 19 8.349 5.302 5.567 158 2HD2 LEU 19 1HD2 LEU 19 8.553 3.611 6.030 159 3HD2 LEU 19 3HD2 LEU 19 9.713 4.377 4.946 160 HA PRO 20 HA PRO 20 5.870 10.146 3.350 161 1HB PRO 20 2HB PRO 20 7.862 11.401 4.764 162 2HB PRO 20 1HB PRO 20 6.302 10.917 5.457 163 1HG PRO 20 2HG PRO 20 8.929 9.500 5.555 164 2HG PRO 20 1HG PRO 20 7.757 9.785 6.855 165 1HD PRO 20 1HD PRO 20 7.895 7.419 5.622 166 2HD PRO 20 2HD PRO 20 6.331 8.108 6.116 167 H ASN 21 H ASN 21 8.944 8.458 2.779 168 HA ASN 21 HA ASN 21 9.625 10.602 0.784 169 1HB ASN 21 2HB ASN 21 11.403 8.775 2.422 170 2HB ASN 21 1HB ASN 21 11.992 9.886 1.187 171 1HD2 ASN 21 1HD2 ASN 21 10.891 9.674 4.500 172 2HD2 ASN 21 2HD2 ASN 21 11.021 11.327 4.853 173 H LEU 22 H LEU 22 8.149 7.706 0.706 174 HA LEU 22 HA LEU 22 9.806 6.452 -1.414 175 1HB LEU 22 2HB LEU 22 7.387 5.700 0.209 176 2HB LEU 22 1HB LEU 22 7.617 4.907 -1.342 177 HG LEU 22 HG LEU 22 9.169 4.616 1.188 178 1HD1 LEU 22 3HD1 LEU 22 8.404 2.874 -1.160 179 2HD1 LEU 22 2HD1 LEU 22 9.462 2.304 0.138 180 3HD1 LEU 22 1HD1 LEU 22 7.800 2.784 0.496 181 1HD2 LEU 22 3HD2 LEU 22 10.464 4.478 -1.552 182 2HD2 LEU 22 2HD2 LEU 22 10.931 5.539 -0.203 183 3HD2 LEU 22 1HD2 LEU 22 11.163 3.790 -0.082 184 H ASN 23 H ASN 23 9.360 6.625 -3.552 185 HA ASN 23 HA ASN 23 6.976 8.272 -4.332 186 1HB ASN 23 2HB ASN 23 8.308 8.999 -6.232 187 2HB ASN 23 1HB ASN 23 9.236 9.219 -4.771 188 1HD2 ASN 23 1HD2 ASN 23 10.312 8.901 -7.517 189 2HD2 ASN 23 2HD2 ASN 23 11.296 7.519 -7.488 190 H GLU 24 H GLU 24 6.801 7.770 -6.952 191 HA GLU 24 HA GLU 24 5.404 5.263 -7.104 192 1HB GLU 24 2HB GLU 24 5.096 5.889 -9.447 193 2HB GLU 24 1HB GLU 24 4.980 7.340 -8.459 194 1HG GLU 24 2HG GLU 24 7.408 7.800 -8.985 195 2HG GLU 24 1HG GLU 24 7.366 6.439 -10.107 196 H GLU 25 H GLU 25 8.756 6.132 -8.024 197 HA GLU 25 HA GLU 25 9.318 3.711 -9.498 198 1HB GLU 25 2HB GLU 25 10.653 5.822 -9.538 199 2HB GLU 25 1HB GLU 25 11.143 5.522 -7.871 200 1HG GLU 25 2HG GLU 25 12.081 3.291 -8.673 201 2HG GLU 25 1HG GLU 25 11.814 3.868 -10.319 202 H GLN 26 H GLN 26 10.069 4.643 -6.115 203 HA GLN 26 HA GLN 26 11.028 2.010 -5.356 204 1HB GLN 26 2HB GLN 26 10.175 4.379 -3.670 205 2HB GLN 26 1HB GLN 26 11.168 3.030 -3.127 206 1HG GLN 26 2HG GLN 26 11.969 4.830 -5.436 207 2HG GLN 26 1HG GLN 26 12.435 5.148 -3.775 208 1HE2 GLN 26 1HE2 GLN 26 14.721 4.807 -4.197 209 2HE2 GLN 26 2HE2 GLN 26 15.346 3.264 -4.531 210 H ARG 27 H ARG 27 8.059 3.800 -4.334 211 HA ARG 27 HA ARG 27 6.920 1.719 -2.790 212 1HB ARG 27 2HB ARG 27 6.089 4.017 -2.763 213 2HB ARG 27 1HB ARG 27 5.620 3.905 -4.455 214 1HG ARG 27 2HG ARG 27 4.046 2.047 -3.813 215 2HG ARG 27 1HG ARG 27 4.392 2.422 -2.127 216 1HD ARG 27 2HD ARG 27 2.412 3.656 -2.646 217 2HD ARG 27 1HD ARG 27 3.724 4.838 -2.732 218 HE ARG 27 HE ARG 27 2.815 3.409 -5.199 219 1HH1 ARG 27 1HH1 ARG 27 1.181 5.294 -5.846 220 2HH1 ARG 27 2HH1 ARG 27 2.026 6.773 -6.157 221 1HH2 ARG 27 1HH2 ARG 27 4.938 5.766 -4.551 222 2HH2 ARG 27 2HH2 ARG 27 4.160 7.040 -5.422 223 H ASN 28 H ASN 28 6.261 2.468 -6.282 224 HA ASN 28 HA ASN 28 4.307 0.379 -6.639 225 1HB ASN 28 2HB ASN 28 6.095 1.623 -8.720 226 2HB ASN 28 1HB ASN 28 4.563 0.854 -9.018 227 1HD2 ASN 28 1HD2 ASN 28 4.628 3.306 -10.052 228 2HD2 ASN 28 2HD2 ASN 28 3.834 4.448 -9.081 229 H ALA 29 H ALA 29 7.837 0.492 -7.328 230 HA ALA 29 HA ALA 29 8.092 -2.142 -8.456 231 1HB ALA 29 1HB ALA 29 9.752 -0.177 -8.276 232 2HB ALA 29 2HB ALA 29 10.401 -1.806 -8.061 233 3HB ALA 29 3HB ALA 29 10.087 -0.787 -6.652 234 H PHE 30 H PHE 30 8.127 -0.938 -5.111 235 HA PHE 30 HA PHE 30 8.863 -3.350 -3.775 236 1HB PHE 30 2HB PHE 30 7.350 -0.841 -3.093 237 2HB PHE 30 1HB PHE 30 7.461 -2.147 -1.918 238 HD1 PHE 30 HD1 PHE 30 10.302 -3.043 -3.113 239 HD2 PHE 30 HD2 PHE 30 8.677 0.633 -1.608 240 HE1 PHE 30 HE1 PHE 30 12.542 -2.334 -2.453 241 HE2 PHE 30 HE2 PHE 30 10.945 1.346 -0.944 242 HZ PHE 30 HZ PHE 30 12.872 -0.188 -1.361 243 H ILE 31 H ILE 31 5.708 -2.019 -4.625 244 HA ILE 31 HA ILE 31 4.162 -4.168 -3.486 245 HB ILE 31 HB ILE 31 3.660 -2.125 -5.671 246 1HG1 ILE 31 2HG1 ILE 31 2.710 -2.159 -2.826 247 2HG1 ILE 31 1HG1 ILE 31 4.262 -1.470 -3.242 248 1HG2 ILE 31 3HG2 ILE 31 2.144 -4.357 -5.265 249 2HG2 ILE 31 2HG2 ILE 31 1.422 -3.216 -4.134 250 3HG2 ILE 31 1HG2 ILE 31 1.514 -2.817 -5.845 251 1HD1 ILE 31 1HD1 ILE 31 1.646 -0.647 -4.506 252 2HD1 ILE 31 3HD1 ILE 31 2.407 0.189 -3.137 253 3HD1 ILE 31 2HD1 ILE 31 3.236 0.137 -4.695 254 H GLN 32 H GLN 32 5.915 -3.798 -6.587 255 HA GLN 32 HA GLN 32 4.682 -6.150 -7.842 256 1HB GLN 32 2HB GLN 32 7.187 -4.507 -8.371 257 2HB GLN 32 1HB GLN 32 6.646 -5.817 -9.424 258 1HG GLN 32 2HG GLN 32 4.486 -4.668 -9.750 259 2HG GLN 32 1HG GLN 32 5.009 -3.365 -8.695 260 1HE2 GLN 32 1HE2 GLN 32 4.478 -3.752 -11.825 261 2HE2 GLN 32 2HE2 GLN 32 5.785 -2.910 -12.506 262 H SER 33 H SER 33 7.798 -5.511 -6.136 263 HA SER 33 HA SER 33 8.765 -8.252 -6.184 264 1HB SER 33 2HB SER 33 10.340 -7.311 -4.455 265 2HB SER 33 1HB SER 33 10.290 -6.416 -5.969 266 HG SER 33 HG SER 33 9.945 -4.819 -4.618 267 H LEU 34 H LEU 34 6.734 -6.416 -3.997 268 HA LEU 34 HA LEU 34 6.793 -8.301 -1.773 269 1HB LEU 34 2HB LEU 34 6.542 -5.824 -1.660 270 2HB LEU 34 1HB LEU 34 4.999 -5.955 -2.488 271 HG LEU 34 HG LEU 34 4.295 -7.481 -0.534 272 1HD1 LEU 34 2HD1 LEU 34 6.836 -6.259 0.510 273 2HD1 LEU 34 1HD1 LEU 34 5.541 -6.802 1.579 274 3HD1 LEU 34 3HD1 LEU 34 6.346 -7.953 0.515 275 1HD2 LEU 34 2HD2 LEU 34 3.909 -4.884 -1.002 276 2HD2 LEU 34 1HD2 LEU 34 3.385 -5.638 0.499 277 3HD2 LEU 34 3HD2 LEU 34 4.890 -4.730 0.454 278 H LYS 35 H LYS 35 4.376 -7.482 -4.337 279 HA LYS 35 HA LYS 35 2.357 -9.339 -3.428 280 1HB LYS 35 2HB LYS 35 2.874 -7.654 -5.840 281 2HB LYS 35 1HB LYS 35 1.734 -8.953 -6.040 282 1HG LYS 35 2HG LYS 35 1.004 -7.857 -3.619 283 2HG LYS 35 1HG LYS 35 1.397 -6.466 -4.630 284 1HD LYS 35 2HD LYS 35 -0.314 -6.872 -6.081 285 2HD LYS 35 1HD LYS 35 -0.211 -8.620 -5.895 286 1HE LYS 35 2HE LYS 35 -1.003 -7.286 -3.405 287 2HE LYS 35 1HE LYS 35 -2.146 -6.994 -4.727 288 1HZ LYS 35 3HZ LYS 35 -1.076 -9.664 -3.945 289 2HZ LYS 35 2HZ LYS 35 -2.628 -9.083 -3.568 290 3HZ LYS 35 1HZ LYS 35 -2.196 -9.366 -5.187 291 H ASP 36 H ASP 36 5.130 -9.721 -5.625 292 HA ASP 36 HA ASP 36 4.283 -12.471 -6.357 293 1HB ASP 36 2HB ASP 36 6.541 -10.619 -7.154 294 2HB ASP 36 1HB ASP 36 6.443 -12.283 -7.725 295 H ASP 37 H ASP 37 6.659 -10.894 -4.192 296 HA ASP 37 HA ASP 37 7.643 -13.626 -3.410 297 1HB ASP 37 2HB ASP 37 9.176 -11.838 -4.558 298 2HB ASP 37 1HB ASP 37 9.188 -11.078 -2.967 299 HA PRO 38 HA PRO 38 5.471 -12.174 0.348 300 1HB PRO 38 2HB PRO 38 5.159 -14.678 1.413 301 2HB PRO 38 1HB PRO 38 4.078 -14.006 0.175 302 1HG PRO 38 2HG PRO 38 6.374 -15.878 -0.155 303 2HG PRO 38 1HG PRO 38 4.758 -15.934 -0.883 304 1HD PRO 38 1HD PRO 38 6.890 -15.023 -2.235 305 2HD PRO 38 2HD PRO 38 5.263 -14.343 -2.461 306 H SER 39 H SER 39 8.195 -14.509 0.202 307 HA SER 39 HA SER 39 8.967 -14.342 2.964 308 1HB SER 39 2HB SER 39 9.605 -16.076 1.235 309 2HB SER 39 1HB SER 39 10.721 -14.895 0.555 310 HG SER 39 HG SER 39 12.007 -15.145 2.230 311 H GLN 40 H GLN 40 10.000 -12.387 0.139 312 HA GLN 40 HA GLN 40 11.959 -10.890 1.754 313 1HB GLN 40 2HB GLN 40 11.807 -11.535 -0.856 314 2HB GLN 40 1HB GLN 40 11.003 -9.966 -0.929 315 1HG GLN 40 2HG GLN 40 13.252 -9.396 -1.241 316 2HG GLN 40 1HG GLN 40 13.033 -9.131 0.488 317 1HE2 GLN 40 1HE2 GLN 40 14.209 -10.511 1.953 318 2HE2 GLN 40 2HE2 GLN 40 15.289 -11.703 1.420 319 H SER 41 H SER 41 8.610 -10.742 1.745 320 HA SER 41 HA SER 41 7.944 -8.054 1.251 321 1HB SER 41 2HB SER 41 5.963 -8.560 2.600 322 2HB SER 41 1HB SER 41 6.399 -9.978 1.658 323 HG SER 41 HG SER 41 6.747 -11.015 3.457 324 H ALA 42 H ALA 42 9.037 -9.437 4.441 325 HA ALA 42 HA ALA 42 8.825 -6.922 5.866 326 1HB ALA 42 2HB ALA 42 10.734 -9.244 6.170 327 2HB ALA 42 3HB ALA 42 9.158 -9.090 6.961 328 3HB ALA 42 1HB ALA 42 10.468 -7.980 7.374 329 H ASN 43 H ASN 43 11.543 -8.498 4.138 330 HA ASN 43 HA ASN 43 13.563 -6.520 4.491 331 1HB ASN 43 2HB ASN 43 12.964 -8.793 2.753 332 2HB ASN 43 1HB ASN 43 13.826 -7.506 1.895 333 1HD2 ASN 43 1HD2 ASN 43 14.073 -8.824 5.281 334 2HD2 ASN 43 2HD2 ASN 43 15.752 -9.066 5.207 335 H LEU 44 H LEU 44 10.890 -6.834 2.168 336 HA LEU 44 HA LEU 44 11.580 -4.648 0.453 337 1HB LEU 44 2HB LEU 44 9.071 -6.143 1.126 338 2HB LEU 44 1HB LEU 44 9.048 -4.791 -0.009 339 HG LEU 44 HG LEU 44 10.929 -7.140 -0.202 340 1HD1 LEU 44 3HD1 LEU 44 8.263 -7.247 -0.583 341 2HD1 LEU 44 2HD1 LEU 44 8.786 -6.726 -2.189 342 3HD1 LEU 44 1HD1 LEU 44 9.416 -8.225 -1.495 343 1HD2 LEU 44 1HD2 LEU 44 10.848 -4.499 -1.356 344 2HD2 LEU 44 3HD2 LEU 44 12.012 -5.813 -1.623 345 3HD2 LEU 44 2HD2 LEU 44 10.559 -5.727 -2.637 346 H LEU 45 H LEU 45 9.562 -4.870 3.377 347 HA LEU 45 HA LEU 45 8.914 -2.020 3.271 348 1HB LEU 45 2HB LEU 45 7.539 -3.477 4.544 349 2HB LEU 45 1HB LEU 45 8.907 -4.097 5.461 350 HG LEU 45 HG LEU 45 9.220 -1.998 6.564 351 1HD1 LEU 45 3HD1 LEU 45 7.227 -0.949 4.533 352 2HD1 LEU 45 2HD1 LEU 45 7.618 -0.066 6.004 353 3HD1 LEU 45 1HD1 LEU 45 8.879 -0.385 4.815 354 1HD2 LEU 45 3HD2 LEU 45 7.181 -3.580 7.061 355 2HD2 LEU 45 2HD2 LEU 45 7.343 -2.042 7.906 356 3HD2 LEU 45 1HD2 LEU 45 6.236 -2.184 6.540 357 H ALA 46 H ALA 46 11.403 -4.004 4.940 358 HA ALA 46 HA ALA 46 12.777 -1.920 6.359 359 1HB ALA 46 2HB ALA 46 13.536 -4.517 5.009 360 2HB ALA 46 1HB ALA 46 14.786 -3.495 5.731 361 3HB ALA 46 3HB ALA 46 13.487 -4.142 6.738 362 H GLU 47 H GLU 47 13.299 -3.105 2.981 363 HA GLU 47 HA GLU 47 15.354 -1.156 2.426 364 1HB GLU 47 2HB GLU 47 15.094 -1.915 0.081 365 2HB GLU 47 1HB GLU 47 15.259 -3.260 1.195 366 1HG GLU 47 2HG GLU 47 12.741 -3.388 1.151 367 2HG GLU 47 1HG GLU 47 12.822 -2.291 -0.224 368 H ALA 48 H ALA 48 11.776 -1.244 2.000 369 HA ALA 48 HA ALA 48 11.593 1.251 0.579 370 1HB ALA 48 2HB ALA 48 9.884 -0.545 0.869 371 2HB ALA 48 1HB ALA 48 9.742 -0.082 2.574 372 3HB ALA 48 3HB ALA 48 9.268 1.049 1.297 373 H LYS 49 H LYS 49 11.742 0.387 4.043 374 HA LYS 49 HA LYS 49 11.304 3.085 5.037 375 1HB LYS 49 2HB LYS 49 11.860 0.349 5.997 376 2HB LYS 49 1HB LYS 49 12.482 1.611 7.046 377 1HG LYS 49 2HG LYS 49 10.381 2.457 7.507 378 2HG LYS 49 1HG LYS 49 9.740 1.984 5.934 379 1HD LYS 49 2HD LYS 49 8.689 0.459 7.310 380 2HD LYS 49 1HD LYS 49 10.128 -0.447 6.837 381 1HE LYS 49 2HE LYS 49 11.206 -0.025 8.892 382 2HE LYS 49 1HE LYS 49 10.095 1.303 9.290 383 1HZ LYS 49 1HZ LYS 49 9.308 -1.559 8.988 384 2HZ LYS 49 3HZ LYS 49 9.495 -0.754 10.470 385 3HZ LYS 49 2HZ LYS 49 8.270 -0.275 9.396 386 H LYS 50 H LYS 50 13.996 1.022 4.182 387 HA LYS 50 HA LYS 50 16.235 2.587 5.081 388 1HB LYS 50 2HB LYS 50 16.614 0.322 4.511 389 2HB LYS 50 1HB LYS 50 15.577 0.422 3.106 390 1HG LYS 50 2HG LYS 50 17.493 2.063 2.236 391 2HG LYS 50 1HG LYS 50 18.462 1.114 3.366 392 1HD LYS 50 2HD LYS 50 16.619 -0.192 1.331 393 2HD LYS 50 1HD LYS 50 18.305 0.202 0.962 394 1HE LYS 50 2HE LYS 50 19.000 -1.157 2.980 395 2HE LYS 50 1HE LYS 50 17.307 -1.664 3.150 396 1HZ LYS 50 1HZ LYS 50 17.370 -2.427 0.826 397 2HZ LYS 50 3HZ LYS 50 19.018 -2.029 0.738 398 3HZ LYS 50 2HZ LYS 50 18.495 -3.253 1.793 399 H LEU 51 H LEU 51 14.238 2.477 2.126 400 HA LEU 51 HA LEU 51 15.684 4.500 0.617 401 1HB LEU 51 2HB LEU 51 13.190 2.900 0.492 402 2HB LEU 51 1HB LEU 51 13.110 4.444 -0.342 403 HG LEU 51 HG LEU 51 14.680 3.831 -1.913 404 1HD1 LEU 51 3HD1 LEU 51 15.798 2.075 0.246 405 2HD1 LEU 51 2HD1 LEU 51 16.173 1.717 -1.440 406 3HD1 LEU 51 1HD1 LEU 51 16.626 3.278 -0.745 407 1HD2 LEU 51 1HD2 LEU 51 13.137 1.475 -0.948 408 2HD2 LEU 51 3HD2 LEU 51 12.997 2.356 -2.468 409 3HD2 LEU 51 2HD2 LEU 51 14.333 1.229 -2.224 410 H ASN 52 H ASN 52 12.909 4.472 2.813 411 HA ASN 52 HA ASN 52 11.880 7.065 2.460 412 1HB ASN 52 2HB ASN 52 10.962 5.131 3.786 413 2HB ASN 52 1HB ASN 52 12.150 5.492 5.038 414 1HD2 ASN 52 1HD2 ASN 52 11.538 7.006 6.580 415 2HD2 ASN 52 2HD2 ASN 52 10.223 8.068 6.422 416 H ASP 53 H ASP 53 14.578 5.941 4.534 417 HA ASP 53 HA ASP 53 15.118 8.660 5.563 418 1HB ASP 53 2HB ASP 53 15.370 6.605 6.916 419 2HB ASP 53 1HB ASP 53 16.625 6.042 5.811 420 H ALA 54 H ALA 54 16.746 6.321 3.367 421 HA ALA 54 HA ALA 54 19.072 7.879 2.776 422 1HB ALA 54 1HB ALA 54 19.271 6.340 0.889 423 2HB ALA 54 2HB ALA 54 17.554 5.953 0.982 424 3HB ALA 54 3HB ALA 54 18.640 5.452 2.276 425 H GLN 55 H GLN 55 15.972 7.616 0.978 426 HA GLN 55 HA GLN 55 16.583 9.722 -0.929 427 1HB GLN 55 2HB GLN 55 13.985 8.442 -0.035 428 2HB GLN 55 1HB GLN 55 14.139 9.519 -1.421 429 1HG GLN 55 2HG GLN 55 15.809 7.943 -2.417 430 2HG GLN 55 1HG GLN 55 15.528 6.836 -1.069 431 1HE2 GLN 55 1HE2 GLN 55 12.886 6.663 -0.713 432 2HE2 GLN 55 2HE2 GLN 55 12.057 6.256 -2.138 433 H ALA 56 H ALA 56 15.177 9.639 2.323 434 HA ALA 56 HA ALA 56 13.754 12.086 2.410 435 1HB ALA 56 1HB ALA 56 14.919 11.896 4.894 436 2HB ALA 56 2HB ALA 56 15.033 10.232 4.315 437 3HB ALA 56 3HB ALA 56 13.464 11.031 4.403 438 HA PRO 57 HA PRO 57 16.814 15.210 2.213 439 1HB PRO 57 2HB PRO 57 15.522 17.204 3.569 440 2HB PRO 57 1HB PRO 57 15.067 16.700 1.928 441 1HG PRO 57 2HG PRO 57 13.834 15.965 4.536 442 2HG PRO 57 1HG PRO 57 13.055 16.381 3.001 443 1HD PRO 57 1HD PRO 57 13.342 13.828 3.870 444 2HD PRO 57 2HD PRO 57 13.322 14.263 2.145 445 H LYS 58 H LYS 58 18.539 15.938 3.488 446 HA LYS 58 HA LYS 58 18.369 15.643 6.462 447 1HB LYS 58 2HB LYS 58 20.382 14.407 4.555 448 2HB LYS 58 1HB LYS 58 20.662 14.525 6.292 449 1HG LYS 58 2HG LYS 58 18.539 13.260 6.681 450 2HG LYS 58 1HG LYS 58 18.370 13.065 4.936 451 1HD LYS 58 2HD LYS 58 20.570 11.913 4.870 452 2HD LYS 58 1HD LYS 58 20.680 12.055 6.624 453 1HE LYS 58 2HE LYS 58 19.202 10.344 6.977 454 2HE LYS 58 1HE LYS 58 18.144 10.862 5.652 455 1HZ LYS 58 1HZ LYS 58 20.802 9.568 5.281 456 2HZ LYS 58 3HZ LYS 58 19.317 8.757 5.171 457 3HZ LYS 58 2HZ LYS 58 19.695 9.982 4.056 458 H1 VAL 1 3H VAL 1 -11.523 -10.785 -11.612 459 H2 VAL 1 2H VAL 1 -11.368 -10.604 -13.295 460 H3 VAL 1 1H VAL 1 -12.336 -11.846 -12.654 461 HA VAL 1 HA VAL 1 -10.443 -13.020 -11.810 462 HB VAL 1 HB VAL 1 -10.178 -11.955 -14.650 463 1HG1 VAL 1 3HG1 VAL 1 -8.692 -14.192 -13.252 464 2HG1 VAL 1 2HG1 VAL 1 -8.876 -14.140 -15.005 465 3HG1 VAL 1 1HG1 VAL 1 -8.017 -12.845 -14.170 466 1HG2 VAL 1 1HG2 VAL 1 -11.465 -14.392 -13.393 467 2HG2 VAL 1 3HG2 VAL 1 -12.226 -13.155 -14.393 468 3HG2 VAL 1 2HG2 VAL 1 -11.106 -14.308 -15.118 469 H ASP 2 H ASP 2 -8.576 -12.710 -10.645 470 HA ASP 2 HA ASP 2 -7.148 -10.121 -10.839 471 1HB ASP 2 2HB ASP 2 -7.891 -11.405 -8.701 472 2HB ASP 2 1HB ASP 2 -6.504 -12.445 -9.016 473 H ASN 3 H ASN 3 -5.565 -9.992 -12.377 474 HA ASN 3 HA ASN 3 -3.930 -12.422 -13.009 475 1HB ASN 3 2HB ASN 3 -5.287 -11.221 -14.795 476 2HB ASN 3 1HB ASN 3 -4.242 -9.822 -14.555 477 1HD2 ASN 3 1HD2 ASN 3 -4.076 -13.328 -15.411 478 2HD2 ASN 3 2HD2 ASN 3 -2.680 -13.173 -16.366 479 H LYS 4 H LYS 4 -2.893 -11.807 -10.816 480 HA LYS 4 HA LYS 4 -1.120 -10.924 -9.566 481 1HB LYS 4 2HB LYS 4 -0.118 -10.731 -12.421 482 2HB LYS 4 1HB LYS 4 0.907 -10.341 -11.040 483 1HG LYS 4 2HG LYS 4 0.377 -12.621 -10.102 484 2HG LYS 4 1HG LYS 4 -0.437 -12.994 -11.621 485 1HD LYS 4 2HD LYS 4 1.646 -12.570 -12.860 486 2HD LYS 4 1HD LYS 4 2.469 -12.157 -11.356 487 1HE LYS 4 2HE LYS 4 1.089 -14.824 -11.526 488 2HE LYS 4 1HE LYS 4 2.653 -14.622 -12.338 489 1HZ LYS 4 3HZ LYS 4 3.556 -13.706 -10.265 490 2HZ LYS 4 2HZ LYS 4 2.068 -13.976 -9.488 491 3HZ LYS 4 1HZ LYS 4 2.990 -15.288 -10.045 492 H PHE 5 H PHE 5 -3.077 -9.103 -9.513 493 HA PHE 5 HA PHE 5 -2.432 -6.483 -10.633 494 1HB PHE 5 2HB PHE 5 -4.246 -7.490 -8.422 495 2HB PHE 5 1HB PHE 5 -4.178 -5.821 -8.922 496 HD1 PHE 5 HD1 PHE 5 -3.636 -6.756 -11.985 497 HD2 PHE 5 HD2 PHE 5 -6.652 -7.545 -9.027 498 HE1 PHE 5 HE1 PHE 5 -5.280 -7.205 -13.779 499 HE2 PHE 5 HE2 PHE 5 -8.291 -7.997 -10.825 500 HZ PHE 5 HZ PHE 5 -7.609 -7.827 -13.200 501 H ASN 6 H ASN 6 -0.253 -6.140 -10.029 502 HA ASN 6 HA ASN 6 0.147 -5.349 -7.172 503 1HB ASN 6 2HB ASN 6 2.528 -6.085 -7.477 504 2HB ASN 6 1HB ASN 6 1.380 -7.406 -7.656 505 1HD2 ASN 6 1HD2 ASN 6 2.155 -8.762 -9.289 506 2HD2 ASN 6 2HD2 ASN 6 2.776 -8.234 -10.775 507 H LYS 7 H LYS 7 -0.086 -4.218 -10.309 508 HA LYS 7 HA LYS 7 1.800 -1.957 -9.952 509 1HB LYS 7 2HB LYS 7 1.512 -3.409 -12.091 510 2HB LYS 7 1HB LYS 7 -0.043 -2.585 -12.272 511 1HG LYS 7 2HG LYS 7 1.222 -0.389 -12.152 512 2HG LYS 7 1HG LYS 7 2.720 -1.317 -12.238 513 1HD LYS 7 2HD LYS 7 0.530 -1.629 -14.301 514 2HD LYS 7 1HD LYS 7 1.791 -0.408 -14.460 515 1HE LYS 7 2HE LYS 7 3.528 -2.175 -14.353 516 2HE LYS 7 1HE LYS 7 2.260 -3.405 -14.199 517 1HZ LYS 7 3HZ LYS 7 2.519 -1.471 -16.449 518 2HZ LYS 7 2HZ LYS 7 2.933 -3.117 -16.515 519 3HZ LYS 7 1HZ LYS 7 1.312 -2.657 -16.294 520 H GLU 8 H GLU 8 -1.604 -2.797 -10.102 521 HA GLU 8 HA GLU 8 -2.491 -0.064 -10.088 522 1HB GLU 8 2HB GLU 8 -4.727 -1.095 -9.571 523 2HB GLU 8 1HB GLU 8 -3.957 -1.662 -11.035 524 1HG GLU 8 2HG GLU 8 -5.179 -3.288 -9.395 525 2HG GLU 8 1HG GLU 8 -3.728 -3.782 -10.267 526 H LEU 9 H LEU 9 -1.244 -2.102 -7.534 527 HA LEU 9 HA LEU 9 -2.668 -0.700 -5.399 528 1HB LEU 9 2HB LEU 9 0.032 -2.017 -5.086 529 2HB LEU 9 1HB LEU 9 -1.187 -1.743 -3.897 530 HG LEU 9 HG LEU 9 -1.883 -3.503 -6.198 531 1HD1 LEU 9 2HD1 LEU 9 0.014 -4.049 -3.948 532 2HD1 LEU 9 1HD1 LEU 9 -1.125 -5.329 -4.367 533 3HD1 LEU 9 3HD1 LEU 9 0.015 -4.729 -5.572 534 1HD2 LEU 9 2HD2 LEU 9 -2.681 -3.341 -3.270 535 2HD2 LEU 9 1HD2 LEU 9 -3.647 -2.791 -4.642 536 3HD2 LEU 9 3HD2 LEU 9 -3.318 -4.515 -4.419 537 H SER 10 H SER 10 0.036 0.033 -7.468 538 HA SER 10 HA SER 10 1.484 1.886 -5.818 539 1HB SER 10 2HB SER 10 2.602 1.570 -7.775 540 2HB SER 10 1HB SER 10 1.160 1.104 -8.630 541 HG SER 10 HG SER 10 1.937 3.774 -8.027 542 H VAL 11 H VAL 11 -1.133 2.353 -8.203 543 HA VAL 11 HA VAL 11 -1.675 5.141 -7.436 544 HB VAL 11 HB VAL 11 -3.214 3.266 -9.271 545 1HG1 VAL 11 2HG1 VAL 11 -3.065 6.237 -8.882 546 2HG1 VAL 11 1HG1 VAL 11 -3.434 5.592 -10.482 547 3HG1 VAL 11 3HG1 VAL 11 -4.477 5.205 -9.115 548 1HG2 VAL 11 3HG2 VAL 11 -0.738 4.929 -9.858 549 2HG2 VAL 11 2HG2 VAL 11 -0.872 3.168 -9.943 550 3HG2 VAL 11 1HG2 VAL 11 -1.750 4.181 -11.097 551 H ALA 12 H ALA 12 -3.614 2.110 -7.467 552 HA ALA 12 HA ALA 12 -5.877 3.074 -6.040 553 1HB ALA 12 3HB ALA 12 -5.435 0.863 -7.385 554 2HB ALA 12 1HB ALA 12 -6.521 0.804 -5.997 555 3HB ALA 12 2HB ALA 12 -4.855 0.235 -5.837 556 H GLY 13 H GLY 13 -2.964 1.486 -4.863 557 1HA GLY 13 1HA GLY 13 -2.089 1.175 -2.745 558 2HA GLY 13 2HA GLY 13 -3.723 1.347 -2.113 559 H ARG 14 H ARG 14 -1.285 3.464 -3.650 560 HA ARG 14 HA ARG 14 -0.829 5.048 -1.352 561 1HB ARG 14 2HB ARG 14 0.521 4.885 -3.483 562 2HB ARG 14 1HB ARG 14 -0.636 5.998 -4.220 563 1HG ARG 14 2HG ARG 14 1.155 7.350 -3.401 564 2HG ARG 14 1HG ARG 14 -0.179 7.566 -2.274 565 1HD ARG 14 2HD ARG 14 1.177 6.919 -0.590 566 2HD ARG 14 1HD ARG 14 1.335 5.327 -1.357 567 HE ARG 14 HE ARG 14 3.086 6.636 -2.848 568 1HH1 ARG 14 1HH1 ARG 14 2.980 8.967 -0.860 569 2HH1 ARG 14 2HH1 ARG 14 4.366 8.627 0.120 570 1HH2 ARG 14 1HH2 ARG 14 4.685 5.342 -0.992 571 2HH2 ARG 14 2HH2 ARG 14 5.333 6.565 0.048 572 H GLU 15 H GLU 15 -3.355 5.531 -3.879 573 HA GLU 15 HA GLU 15 -4.178 8.155 -2.928 574 1HB GLU 15 2HB GLU 15 -5.486 5.958 -4.537 575 2HB GLU 15 1HB GLU 15 -6.311 7.479 -4.196 576 1HG GLU 15 2HG GLU 15 -4.373 8.694 -5.224 577 2HG GLU 15 1HG GLU 15 -3.680 7.135 -5.671 578 H ILE 16 H ILE 16 -5.329 4.825 -2.262 579 HA ILE 16 HA ILE 16 -7.379 5.440 -0.333 580 HB ILE 16 HB ILE 16 -5.586 3.015 -0.818 581 1HG1 ILE 16 2HG1 ILE 16 -8.515 3.426 -1.499 582 2HG1 ILE 16 1HG1 ILE 16 -7.219 3.760 -2.633 583 1HG2 ILE 16 3HG2 ILE 16 -7.876 3.426 1.097 584 2HG2 ILE 16 2HG2 ILE 16 -7.579 1.831 0.398 585 3HG2 ILE 16 1HG2 ILE 16 -6.331 2.621 1.370 586 1HD1 ILE 16 1HD1 ILE 16 -6.491 1.284 -2.017 587 2HD1 ILE 16 3HD1 ILE 16 -8.190 1.133 -1.562 588 3HD1 ILE 16 2HD1 ILE 16 -7.756 1.577 -3.215 589 H VAL 17 H VAL 17 -3.883 5.192 -0.154 590 HA VAL 17 HA VAL 17 -3.479 4.956 2.681 591 HB VAL 17 HB VAL 17 -1.880 5.776 0.271 592 1HG1 VAL 17 2HG1 VAL 17 -1.225 6.591 3.011 593 2HG1 VAL 17 1HG1 VAL 17 0.052 5.689 2.201 594 3HG1 VAL 17 3HG1 VAL 17 -0.577 7.168 1.473 595 1HG2 VAL 17 2HG2 VAL 17 -2.179 3.473 2.013 596 2HG2 VAL 17 1HG2 VAL 17 -1.532 3.589 0.358 597 3HG2 VAL 17 3HG2 VAL 17 -0.490 3.919 1.740 598 H THR 18 H THR 18 -3.769 7.820 0.516 599 HA THR 18 HA THR 18 -4.146 9.471 2.962 600 HB THR 18 HB THR 18 -1.740 9.352 2.357 601 HG1 THR 18 HG1 THR 18 -1.474 11.419 2.779 602 1HG2 THR 18 3HG2 THR 18 -2.000 9.094 -0.094 603 2HG2 THR 18 2HG2 THR 18 -2.595 10.750 -0.200 604 3HG2 THR 18 1HG2 THR 18 -0.934 10.442 0.304 605 H LEU 19 H LEU 19 -6.275 8.828 1.028 606 HA LEU 19 HA LEU 19 -6.518 11.013 -0.843 607 1HB LEU 19 2HB LEU 19 -8.948 10.366 -0.941 608 2HB LEU 19 1HB LEU 19 -7.847 9.065 -1.247 609 HG LEU 19 HG LEU 19 -9.936 8.613 0.120 610 1HD1 LEU 19 1HD1 LEU 19 -7.575 7.301 0.079 611 2HD1 LEU 19 3HD1 LEU 19 -7.658 7.718 1.796 612 3HD1 LEU 19 2HD1 LEU 19 -8.957 6.794 1.052 613 1HD2 LEU 19 3HD2 LEU 19 -9.526 10.720 1.469 614 2HD2 LEU 19 2HD2 LEU 19 -10.048 9.291 2.345 615 3HD2 LEU 19 1HD2 LEU 19 -8.351 9.777 2.381 616 HA PRO 20 HA PRO 20 -7.378 14.627 1.285 617 1HB PRO 20 2HB PRO 20 -9.931 15.492 0.693 618 2HB PRO 20 1HB PRO 20 -8.517 15.644 -0.371 619 1HG PRO 20 2HG PRO 20 -10.617 13.515 -0.324 620 2HG PRO 20 1HG PRO 20 -9.972 14.419 -1.709 621 1HD PRO 20 1HD PRO 20 -9.089 11.981 -1.248 622 2HD PRO 20 2HD PRO 20 -7.925 13.255 -1.670 623 H ASN 21 H ASN 21 -9.957 12.285 2.193 624 HA ASN 21 HA ASN 21 -9.971 13.679 4.868 625 1HB ASN 21 2HB ASN 21 -12.319 12.778 3.217 626 2HB ASN 21 1HB ASN 21 -12.457 13.305 4.882 627 1HD2 ASN 21 1HD2 ASN 21 -13.282 14.479 2.072 628 2HD2 ASN 21 2HD2 ASN 21 -12.811 16.106 2.206 629 H LEU 22 H LEU 22 -8.783 10.886 4.092 630 HA LEU 22 HA LEU 22 -10.626 9.110 5.636 631 1HB LEU 22 2HB LEU 22 -9.114 8.559 3.498 632 2HB LEU 22 1HB LEU 22 -7.955 8.185 4.753 633 HG LEU 22 HG LEU 22 -10.033 6.885 5.783 634 1HD1 LEU 22 3HD1 LEU 22 -10.535 6.895 2.788 635 2HD1 LEU 22 2HD1 LEU 22 -11.321 5.812 3.940 636 3HD1 LEU 22 1HD1 LEU 22 -11.611 7.549 4.025 637 1HD2 LEU 22 1HD2 LEU 22 -8.064 6.074 3.653 638 2HD2 LEU 22 3HD2 LEU 22 -8.061 5.694 5.379 639 3HD2 LEU 22 2HD2 LEU 22 -9.210 4.896 4.307 640 H ASN 23 H ASN 23 -9.953 7.967 7.469 641 HA ASN 23 HA ASN 23 -7.870 9.353 9.117 642 1HB ASN 23 2HB ASN 23 -8.982 8.240 11.034 643 2HB ASN 23 1HB ASN 23 -10.115 9.193 10.089 644 1HD2 ASN 23 1HD2 ASN 23 -11.962 7.904 10.791 645 2HD2 ASN 23 2HD2 ASN 23 -12.191 6.312 10.251 646 H ASP 24 H ASP 24 -6.343 7.997 10.378 647 HA ASP 24 HA ASP 24 -4.904 6.205 8.795 648 1HB ASP 24 2HB ASP 24 -3.547 5.795 10.781 649 2HB ASP 24 1HB ASP 24 -3.969 7.494 10.636 650 HA PRO 25 HA PRO 25 -6.669 2.397 11.154 651 1HB PRO 25 2HB PRO 25 -9.320 2.488 11.856 652 2HB PRO 25 1HB PRO 25 -7.998 2.904 12.966 653 1HG PRO 25 2HG PRO 25 -9.768 4.698 11.376 654 2HG PRO 25 1HG PRO 25 -9.193 4.868 13.043 655 1HD PRO 25 1HD PRO 25 -8.105 6.232 10.989 656 2HD PRO 25 2HD PRO 25 -7.171 5.719 12.403 657 H GLN 26 H GLN 26 -9.021 4.306 9.179 658 HA GLN 26 HA GLN 26 -10.138 1.995 7.846 659 1HB GLN 26 2HB GLN 26 -10.095 4.962 7.235 660 2HB GLN 26 1HB GLN 26 -10.993 3.795 6.258 661 1HG GLN 26 2HG GLN 26 -12.185 3.038 8.324 662 2HG GLN 26 1HG GLN 26 -11.358 4.298 9.230 663 1HE2 GLN 26 1HE2 GLN 26 -11.547 6.438 7.289 664 2HE2 GLN 26 2HE2 GLN 26 -13.186 6.829 7.113 665 H LYS 27 H LYS 27 -7.606 4.367 6.800 666 HA LYS 27 HA LYS 27 -7.101 3.200 4.250 667 1HB LYS 27 2HB LYS 27 -4.724 4.131 4.620 668 2HB LYS 27 1HB LYS 27 -6.071 5.275 4.578 669 1HG LYS 27 2HG LYS 27 -6.037 5.087 7.163 670 2HG LYS 27 1HG LYS 27 -4.470 4.318 6.955 671 1HD LYS 27 2HD LYS 27 -3.988 6.631 7.258 672 2HD LYS 27 1HD LYS 27 -3.839 6.355 5.531 673 1HE LYS 27 2HE LYS 27 -6.263 7.126 5.297 674 2HE LYS 27 1HE LYS 27 -6.150 7.663 6.980 675 1HZ LYS 27 2HZ LYS 27 -4.275 8.452 4.815 676 2HZ LYS 27 1HZ LYS 27 -5.525 9.427 5.427 677 3HZ LYS 27 3HZ LYS 27 -4.227 8.991 6.427 678 H LYS 28 H LYS 28 -5.748 2.345 7.442 679 HA LYS 28 HA LYS 28 -3.802 0.456 6.523 680 1HB LYS 28 2HB LYS 28 -5.450 0.842 9.051 681 2HB LYS 28 1HB LYS 28 -4.466 -0.613 8.893 682 1HG LYS 28 2HG LYS 28 -2.932 1.631 8.081 683 2HG LYS 28 1HG LYS 28 -3.619 1.990 9.649 684 1HD LYS 28 2HD LYS 28 -1.546 0.898 10.084 685 2HD LYS 28 1HD LYS 28 -2.785 -0.330 10.351 686 1HE LYS 28 2HE LYS 28 -2.267 -1.469 8.373 687 2HE LYS 28 1HE LYS 28 -1.543 -0.037 7.613 688 1HZ LYS 28 2HZ LYS 28 0.212 -0.118 9.339 689 2HZ LYS 28 1HZ LYS 28 -0.443 -1.575 9.922 690 3HZ LYS 28 3HZ LYS 28 0.205 -1.503 8.357 691 H ALA 29 H ALA 29 -7.147 -0.201 7.790 692 HA ALA 29 HA ALA 29 -7.293 -2.955 7.015 693 1HB ALA 29 3HB ALA 29 -9.744 -2.569 7.267 694 2HB ALA 29 1HB ALA 29 -9.454 -0.830 7.271 695 3HB ALA 29 2HB ALA 29 -8.831 -1.831 8.582 696 H PHE 30 H PHE 30 -7.920 0.025 5.206 697 HA PHE 30 HA PHE 30 -9.208 -1.097 2.891 698 1HB PHE 30 2HB PHE 30 -8.151 1.424 3.858 699 2HB PHE 30 1HB PHE 30 -7.661 1.179 2.195 700 HD1 PHE 30 HD1 PHE 30 -9.402 0.505 0.504 701 HD2 PHE 30 HD2 PHE 30 -10.340 2.088 4.380 702 HE1 PHE 30 HE1 PHE 30 -11.698 1.098 -0.274 703 HE2 PHE 30 HE2 PHE 30 -12.612 2.679 3.610 704 HZ PHE 30 HZ PHE 30 -13.291 2.188 1.291 705 H ILE 31 H ILE 31 -5.813 -0.106 3.417 706 HA ILE 31 HA ILE 31 -4.877 -1.073 0.881 707 HB ILE 31 HB ILE 31 -3.712 -0.270 3.531 708 1HG1 ILE 31 2HG1 ILE 31 -4.020 0.816 0.785 709 2HG1 ILE 31 1HG1 ILE 31 -4.023 1.657 2.343 710 1HG2 ILE 31 2HG2 ILE 31 -2.398 -2.282 2.311 711 2HG2 ILE 31 1HG2 ILE 31 -1.787 -0.940 1.325 712 3HG2 ILE 31 3HG2 ILE 31 -1.550 -0.947 3.075 713 1HD1 ILE 31 1HD1 ILE 31 -1.508 0.470 1.261 714 2HD1 ILE 31 3HD1 ILE 31 -2.077 2.021 0.694 715 3HD1 ILE 31 2HD1 ILE 31 -1.719 1.786 2.416 716 H PHE 32 H PHE 32 -5.029 -2.495 4.155 717 HA PHE 32 HA PHE 32 -3.646 -4.919 3.548 718 1HB PHE 32 2HB PHE 32 -5.548 -3.942 5.669 719 2HB PHE 32 1HB PHE 32 -5.125 -5.654 5.627 720 HD1 PHE 32 HD1 PHE 32 -3.254 -6.333 6.964 721 HD2 PHE 32 HD2 PHE 32 -3.252 -2.276 5.271 722 HE1 PHE 32 HE1 PHE 32 -1.104 -5.828 7.992 723 HE2 PHE 32 HE2 PHE 32 -1.137 -1.865 6.390 724 HZ PHE 32 HZ PHE 32 -0.047 -3.667 7.681 725 H SER 33 H SER 33 -7.089 -3.926 3.028 726 HA SER 33 HA SER 33 -7.822 -6.647 2.106 727 1HB SER 33 2HB SER 33 -9.973 -5.550 1.547 728 2HB SER 33 1HB SER 33 -9.477 -5.166 3.187 729 HG SER 33 HG SER 33 -9.404 -3.156 2.631 730 H LEU 34 H LEU 34 -6.697 -3.577 0.712 731 HA LEU 34 HA LEU 34 -7.116 -4.090 -2.100 732 1HB LEU 34 2HB LEU 34 -6.589 -1.887 -1.137 733 2HB LEU 34 1HB LEU 34 -5.049 -2.467 -0.555 734 HG LEU 34 HG LEU 34 -4.572 -2.958 -3.039 735 1HD1 LEU 34 2HD1 LEU 34 -7.153 -1.537 -3.179 736 2HD1 LEU 34 1HD1 LEU 34 -5.912 -0.917 -4.269 737 3HD1 LEU 34 3HD1 LEU 34 -6.392 -2.612 -4.353 738 1HD2 LEU 34 2HD2 LEU 34 -3.766 -0.978 -1.461 739 2HD2 LEU 34 1HD2 LEU 34 -3.465 -0.899 -3.201 740 3HD2 LEU 34 3HD2 LEU 34 -4.821 -0.018 -2.501 741 H TRP 35 H TRP 35 -4.427 -4.787 0.126 742 HA TRP 35 HA TRP 35 -2.601 -5.954 -1.776 743 1HB TRP 35 2HB TRP 35 -2.092 -5.061 0.498 744 2HB TRP 35 1HB TRP 35 -2.911 -6.459 1.194 745 HD1 TRP 35 HD1 TRP 35 -1.516 -8.592 1.453 746 HE1 TRP 35 HE1 TRP 35 0.755 -9.390 0.588 747 HE3 TRP 35 HE3 TRP 35 -0.424 -4.781 -1.723 748 HZ2 TRP 35 HZ2 TRP 35 2.805 -8.493 -1.205 749 HZ3 TRP 35 HZ3 TRP 35 1.690 -4.781 -3.000 750 HH2 TRP 35 HH2 TRP 35 3.293 -6.616 -2.739 751 H ASP 36 H ASP 36 -4.994 -7.384 0.489 752 HA ASP 36 HA ASP 36 -4.437 -10.138 -0.113 753 1HB ASP 36 2HB ASP 36 -5.762 -8.834 1.828 754 2HB ASP 36 1HB ASP 36 -7.141 -9.229 0.804 755 H ASP 37 H ASP 37 -6.886 -7.822 -1.332 756 HA ASP 37 HA ASP 37 -7.314 -9.655 -3.624 757 1HB ASP 37 2HB ASP 37 -9.380 -8.342 -1.839 758 2HB ASP 37 1HB ASP 37 -9.783 -9.096 -3.379 759 HA PRO 38 HA PRO 38 -6.627 -5.277 -5.051 760 1HB PRO 38 2HB PRO 38 -4.942 -5.904 -7.096 761 2HB PRO 38 1HB PRO 38 -4.399 -5.570 -5.442 762 1HG PRO 38 2HG PRO 38 -4.834 -8.201 -6.787 763 2HG PRO 38 1HG PRO 38 -3.513 -7.690 -5.730 764 1HD PRO 38 1HD PRO 38 -5.546 -9.221 -4.840 765 2HD PRO 38 2HD PRO 38 -4.737 -8.015 -3.809 766 H SER 39 H SER 39 -8.100 -8.128 -6.233 767 HA SER 39 HA SER 39 -8.732 -7.422 -8.958 768 1HB SER 39 2HB SER 39 -9.200 -9.532 -7.247 769 2HB SER 39 1HB SER 39 -10.793 -8.796 -7.322 770 HG SER 39 HG SER 39 -9.185 -9.758 -9.452 771 H GLN 40 H GLN 40 -10.063 -6.592 -5.783 772 HA GLN 40 HA GLN 40 -12.210 -4.854 -6.892 773 1HB GLN 40 2HB GLN 40 -11.423 -5.054 -3.993 774 2HB GLN 40 1HB GLN 40 -13.023 -4.807 -4.681 775 1HG GLN 40 2HG GLN 40 -12.565 -7.267 -5.637 776 2HG GLN 40 1HG GLN 40 -11.492 -7.321 -4.237 777 1HE2 GLN 40 1HE2 GLN 40 -12.908 -5.891 -2.299 778 2HE2 GLN 40 2HE2 GLN 40 -14.395 -6.646 -1.991 779 H SER 41 H SER 41 -9.018 -4.368 -6.872 780 HA SER 41 HA SER 41 -8.298 -2.243 -5.194 781 1HB SER 41 2HB SER 41 -6.797 -3.503 -6.577 782 2HB SER 41 1HB SER 41 -7.551 -2.880 -8.039 783 HG SER 41 HG SER 41 -5.509 -1.875 -6.959 784 H ALA 42 H ALA 42 -9.901 -2.046 -8.419 785 HA ALA 42 HA ALA 42 -9.938 0.832 -8.622 786 1HB ALA 42 3HB ALA 42 -11.834 -1.300 -9.692 787 2HB ALA 42 2HB ALA 42 -11.756 0.364 -10.272 788 3HB ALA 42 1HB ALA 42 -10.379 -0.714 -10.502 789 H ASN 43 H ASN 43 -12.283 -1.543 -7.317 790 HA ASN 43 HA ASN 43 -14.227 0.355 -6.399 791 1HB ASN 43 2HB ASN 43 -14.600 -2.083 -6.835 792 2HB ASN 43 1HB ASN 43 -13.612 -2.452 -5.423 793 1HD2 ASN 43 1HD2 ASN 43 -16.594 -0.628 -6.349 794 2HD2 ASN 43 2HD2 ASN 43 -17.356 -0.833 -4.846 795 H LEU 44 H LEU 44 -11.286 -1.061 -4.928 796 HA LEU 44 HA LEU 44 -11.745 -0.238 -2.215 797 1HB LEU 44 2HB LEU 44 -9.532 -1.187 -3.946 798 2HB LEU 44 1HB LEU 44 -9.045 -0.327 -2.486 799 HG LEU 44 HG LEU 44 -11.206 -2.339 -2.178 800 1HD1 LEU 44 2HD1 LEU 44 -8.653 -2.993 -3.397 801 2HD1 LEU 44 1HD1 LEU 44 -8.824 -3.786 -1.827 802 3HD1 LEU 44 3HD1 LEU 44 -10.040 -4.048 -3.080 803 1HD2 LEU 44 1HD2 LEU 44 -8.789 -1.351 -0.630 804 2HD2 LEU 44 3HD2 LEU 44 -10.506 -1.106 -0.264 805 3HD2 LEU 44 2HD2 LEU 44 -9.781 -2.711 -0.084 806 H LEU 45 H LEU 45 -9.921 1.240 -4.825 807 HA LEU 45 HA LEU 45 -9.099 3.649 -3.544 808 1HB LEU 45 2HB LEU 45 -8.259 2.877 -5.726 809 2HB LEU 45 1HB LEU 45 -9.869 3.068 -6.426 810 HG LEU 45 HG LEU 45 -9.680 5.518 -5.539 811 1HD1 LEU 45 3HD1 LEU 45 -6.799 4.623 -5.635 812 2HD1 LEU 45 2HD1 LEU 45 -7.331 6.301 -5.539 813 3HD1 LEU 45 1HD1 LEU 45 -7.692 5.186 -4.218 814 1HD2 LEU 45 2HD2 LEU 45 -8.374 4.302 -7.953 815 2HD2 LEU 45 1HD2 LEU 45 -9.839 5.287 -7.839 816 3HD2 LEU 45 3HD2 LEU 45 -8.250 6.041 -7.670 817 H ALA 46 H ALA 46 -12.011 2.857 -5.445 818 HA ALA 46 HA ALA 46 -13.321 5.392 -5.347 819 1HB ALA 46 1HB ALA 46 -15.260 4.051 -5.976 820 2HB ALA 46 3HB ALA 46 -13.843 3.316 -6.730 821 3HB ALA 46 2HB ALA 46 -14.530 2.605 -5.267 822 H GLU 47 H GLU 47 -13.607 2.486 -3.299 823 HA GLU 47 HA GLU 47 -15.445 3.398 -1.351 824 1HB GLU 47 2HB GLU 47 -13.239 1.332 -1.514 825 2HB GLU 47 1HB GLU 47 -14.147 1.540 -0.018 826 1HG GLU 47 2HG GLU 47 -15.350 0.906 -2.730 827 2HG GLU 47 1HG GLU 47 -15.165 -0.230 -1.398 828 H ALA 48 H ALA 48 -11.922 3.739 -1.582 829 HA ALA 48 HA ALA 48 -11.435 4.789 1.070 830 1HB ALA 48 1HB ALA 48 -9.493 4.071 0.064 831 2HB ALA 48 3HB ALA 48 -10.043 4.496 -1.560 832 3HB ALA 48 2HB ALA 48 -9.397 5.750 -0.477 833 H LYS 49 H LYS 49 -11.726 6.388 -2.124 834 HA LYS 49 HA LYS 49 -11.633 9.087 -1.149 835 1HB LYS 49 2HB LYS 49 -12.741 7.829 -3.675 836 2HB LYS 49 1HB LYS 49 -12.551 9.569 -3.453 837 1HG LYS 49 2HG LYS 49 -10.119 9.231 -3.035 838 2HG LYS 49 1HG LYS 49 -10.323 7.506 -3.332 839 1HD LYS 49 2HD LYS 49 -11.244 8.091 -5.610 840 2HD LYS 49 1HD LYS 49 -10.777 9.763 -5.302 841 1HE LYS 49 2HE LYS 49 -8.430 9.127 -5.085 842 2HE LYS 49 1HE LYS 49 -8.854 7.410 -5.225 843 1HZ LYS 49 3HZ LYS 49 -9.797 7.845 -7.409 844 2HZ LYS 49 2HZ LYS 49 -9.391 9.494 -7.285 845 3HZ LYS 49 1HZ LYS 49 -8.168 8.318 -7.369 846 H LYS 50 H LYS 50 -14.412 6.993 -2.046 847 HA LYS 50 HA LYS 50 -16.500 8.883 -1.475 848 1HB LYS 50 2HB LYS 50 -16.383 5.847 -1.435 849 2HB LYS 50 1HB LYS 50 -17.886 6.759 -1.282 850 1HG LYS 50 2HG LYS 50 -17.362 7.889 -3.463 851 2HG LYS 50 1HG LYS 50 -15.965 6.831 -3.636 852 1HD LYS 50 2HD LYS 50 -18.830 5.868 -3.351 853 2HD LYS 50 1HD LYS 50 -17.962 6.003 -4.879 854 1HE LYS 50 2HE LYS 50 -16.299 4.366 -4.122 855 2HE LYS 50 1HE LYS 50 -17.097 4.252 -2.543 856 1HZ LYS 50 2HZ LYS 50 -19.140 3.580 -3.680 857 2HZ LYS 50 1HZ LYS 50 -18.339 3.634 -5.180 858 3HZ LYS 50 3HZ LYS 50 -17.873 2.498 -4.008 859 H LEU 51 H LEU 51 -14.789 6.531 0.618 860 HA LEU 51 HA LEU 51 -16.421 6.923 2.968 861 1HB LEU 51 2HB LEU 51 -14.931 4.999 2.609 862 2HB LEU 51 1HB LEU 51 -13.525 6.058 2.621 863 HG LEU 51 HG LEU 51 -13.821 6.568 4.950 864 1HD1 LEU 51 3HD1 LEU 51 -16.477 5.104 4.744 865 2HD1 LEU 51 2HD1 LEU 51 -15.769 5.704 6.245 866 3HD1 LEU 51 1HD1 LEU 51 -16.264 6.840 4.987 867 1HD2 LEU 51 1HD2 LEU 51 -14.033 3.718 4.103 868 2HD2 LEU 51 3HD2 LEU 51 -12.749 4.532 4.993 869 3HD2 LEU 51 2HD2 LEU 51 -14.231 4.057 5.819 870 H ASN 52 H ASN 52 -13.430 8.533 1.777 871 HA ASN 52 HA ASN 52 -12.999 10.257 4.028 872 1HB ASN 52 2HB ASN 52 -11.286 10.954 2.708 873 2HB ASN 52 1HB ASN 52 -11.769 9.670 1.635 874 1HD2 ASN 52 1HD2 ASN 52 -11.238 10.653 -0.374 875 2HD2 ASN 52 2HD2 ASN 52 -11.952 12.081 -0.936 876 H ASP 53 H ASP 53 -15.045 10.546 1.124 877 HA ASP 53 HA ASP 53 -15.948 13.226 1.505 878 1HB ASP 53 2HB ASP 53 -16.124 11.796 -0.559 879 2HB ASP 53 1HB ASP 53 -17.389 10.867 0.245 880 H ALA 54 H ALA 54 -17.043 10.120 2.868 881 HA ALA 54 HA ALA 54 -19.584 11.025 3.917 882 1HB ALA 54 3HB ALA 54 -18.459 8.662 3.497 883 2HB ALA 54 2HB ALA 54 -17.914 8.859 5.164 884 3HB ALA 54 1HB ALA 54 -19.641 8.860 4.797 885 H GLN 55 H GLN 55 -16.267 10.979 5.200 886 HA GLN 55 HA GLN 55 -17.016 11.920 7.880 887 1HB GLN 55 2HB GLN 55 -14.456 11.443 6.334 888 2HB GLN 55 1HB GLN 55 -14.444 12.031 7.986 889 1HG GLN 55 2HG GLN 55 -15.599 10.048 8.773 890 2HG GLN 55 1HG GLN 55 -15.826 9.480 7.117 891 1HE2 GLN 55 1HE2 GLN 55 -13.434 9.718 5.908 892 2HE2 GLN 55 2HE2 GLN 55 -12.203 8.884 6.748 893 H ALA 56 H ALA 56 -15.695 13.303 4.869 894 HA ALA 56 HA ALA 56 -16.318 16.060 5.793 895 1HB ALA 56 1HB ALA 56 -14.148 15.993 6.594 896 2HB ALA 56 2HB ALA 56 -13.815 16.448 4.920 897 3HB ALA 56 3HB ALA 56 -13.665 14.763 5.425 898 HA PRO 57 HA PRO 57 -17.124 16.554 1.433 899 1HB PRO 57 2HB PRO 57 -16.632 19.228 1.092 900 2HB PRO 57 1HB PRO 57 -18.082 18.608 1.908 901 1HG PRO 57 2HG PRO 57 -15.561 19.674 3.079 902 2HG PRO 57 1HG PRO 57 -17.238 19.947 3.582 903 1HD PRO 57 1HD PRO 57 -15.592 18.214 4.859 904 2HD PRO 57 2HD PRO 57 -17.351 17.963 4.750 905 H LYS 58 H LYS 58 -15.914 16.450 -0.490 906 HA LYS 58 HA LYS 58 -13.065 16.078 -0.369 907 1HB LYS 58 2HB LYS 58 -14.993 16.535 -2.670 908 2HB LYS 58 1HB LYS 58 -13.309 16.069 -2.895 909 1HG LYS 58 2HG LYS 58 -13.711 14.037 -1.513 910 2HG LYS 58 1HG LYS 58 -15.409 14.492 -1.377 911 1HD LYS 58 2HD LYS 58 -15.502 14.501 -3.915 912 2HD LYS 58 1HD LYS 58 -13.897 13.773 -3.901 913 1HE LYS 58 2HE LYS 58 -16.219 12.552 -2.379 914 2HE LYS 58 1HE LYS 58 -15.868 12.131 -4.062 915 1HZ LYS 58 2HZ LYS 58 -13.493 11.764 -3.269 916 2HZ LYS 58 1HZ LYS 58 -14.125 11.783 -1.690 917 3HZ LYS 58 3HZ LYS 58 -14.640 10.608 -2.794 No H/Q in entry = 917 Start of MODEL 5 1 H1 VAL 1 2H VAL 1 5.063 -23.030 9.614 2 H2 VAL 1 1H VAL 1 6.443 -22.469 10.428 3 H3 VAL 1 3H VAL 1 6.191 -24.135 10.234 4 HA VAL 1 HA VAL 1 4.390 -24.181 11.734 5 HB VAL 1 HB VAL 1 6.830 -23.982 12.520 6 1HG1 VAL 1 3HG1 VAL 1 7.017 -21.506 12.128 7 2HG1 VAL 1 2HG1 VAL 1 5.893 -21.253 13.464 8 3HG1 VAL 1 1HG1 VAL 1 7.464 -21.994 13.762 9 1HG2 VAL 1 2HG2 VAL 1 4.944 -24.770 13.937 10 2HG2 VAL 1 1HG2 VAL 1 6.168 -23.913 14.870 11 3HG2 VAL 1 3HG2 VAL 1 4.658 -23.106 14.447 12 H ASP 2 H ASP 2 5.178 -20.839 10.778 13 HA ASP 2 HA ASP 2 2.514 -19.977 11.856 14 1HB ASP 2 2HB ASP 2 3.568 -17.909 12.595 15 2HB ASP 2 1HB ASP 2 4.491 -19.262 13.242 16 H ASN 3 H ASN 3 1.904 -17.759 10.790 17 HA ASN 3 HA ASN 3 2.628 -17.808 7.875 18 1HB ASN 3 2HB ASN 3 0.256 -17.210 7.446 19 2HB ASN 3 1HB ASN 3 0.387 -18.733 8.317 20 1HD2 ASN 3 1HD2 ASN 3 -0.313 -18.764 10.595 21 2HD2 ASN 3 2HD2 ASN 3 -1.237 -17.496 11.245 22 H LYS 4 H LYS 4 4.078 -16.178 9.662 23 HA LYS 4 HA LYS 4 3.142 -13.528 10.093 24 1HB LYS 4 2HB LYS 4 5.573 -12.957 10.163 25 2HB LYS 4 1HB LYS 4 5.209 -14.424 11.070 26 1HG LYS 4 2HG LYS 4 5.894 -15.736 8.990 27 2HG LYS 4 1HG LYS 4 6.471 -14.212 8.320 28 1HD LYS 4 2HD LYS 4 8.044 -13.932 10.139 29 2HD LYS 4 1HD LYS 4 7.394 -15.343 10.977 30 1HE LYS 4 2HE LYS 4 8.396 -15.696 8.166 31 2HE LYS 4 1HE LYS 4 9.579 -15.576 9.481 32 1HZ LYS 4 1HZ LYS 4 8.358 -17.301 10.683 33 2HZ LYS 4 3HZ LYS 4 7.251 -17.434 9.403 34 3HZ LYS 4 2HZ LYS 4 8.874 -17.871 9.169 35 H PHE 5 H PHE 5 4.743 -14.864 7.165 36 HA PHE 5 HA PHE 5 5.030 -12.447 5.727 37 1HB PHE 5 2HB PHE 5 4.586 -15.296 4.803 38 2HB PHE 5 1HB PHE 5 5.085 -13.987 3.736 39 HD1 PHE 5 HD1 PHE 5 6.810 -12.662 6.141 40 HD2 PHE 5 HD2 PHE 5 6.663 -16.537 4.275 41 HE1 PHE 5 HE1 PHE 5 9.166 -13.056 6.770 42 HE2 PHE 5 HE2 PHE 5 9.025 -16.926 4.917 43 HZ PHE 5 HZ PHE 5 10.274 -15.187 6.168 44 H ASN 6 H ASN 6 2.114 -14.379 6.268 45 HA ASN 6 HA ASN 6 0.476 -13.568 4.108 46 1HB ASN 6 2HB ASN 6 -0.053 -15.238 5.911 47 2HB ASN 6 1HB ASN 6 -0.301 -13.902 7.032 48 1HD2 ASN 6 1HD2 ASN 6 -1.538 -15.218 3.905 49 2HD2 ASN 6 2HD2 ASN 6 -3.095 -14.569 4.086 50 H LYS 7 H LYS 7 0.687 -11.916 7.352 51 HA LYS 7 HA LYS 7 -0.504 -9.499 6.100 52 1HB LYS 7 2HB LYS 7 -1.401 -10.294 8.241 53 2HB LYS 7 1HB LYS 7 0.192 -10.070 8.994 54 1HG LYS 7 2HG LYS 7 -0.750 -7.700 7.556 55 2HG LYS 7 1HG LYS 7 -1.871 -8.189 8.822 56 1HD LYS 7 2HD LYS 7 1.101 -7.865 9.291 57 2HD LYS 7 1HD LYS 7 -0.059 -6.558 9.521 58 1HE LYS 7 2HE LYS 7 -1.137 -7.663 11.320 59 2HE LYS 7 1HE LYS 7 -0.442 -9.236 10.884 60 1HZ LYS 7 3HZ LYS 7 1.111 -6.857 11.786 61 2HZ LYS 7 2HZ LYS 7 0.760 -8.219 12.739 62 3HZ LYS 7 1HZ LYS 7 1.762 -8.371 11.377 63 H GLU 8 H GLU 8 2.713 -10.660 6.715 64 HA GLU 8 HA GLU 8 3.922 -8.095 7.361 65 1HB GLU 8 2HB GLU 8 4.928 -10.719 6.247 66 2HB GLU 8 1HB GLU 8 5.982 -9.308 6.329 67 1HG GLU 8 2HG GLU 8 4.479 -10.474 8.690 68 2HG GLU 8 1HG GLU 8 6.193 -10.753 8.336 69 H GLN 9 H GLN 9 3.150 -9.870 4.382 70 HA GLN 9 HA GLN 9 4.232 -7.989 2.510 71 1HB GLN 9 2HB GLN 9 1.899 -9.928 2.388 72 2HB GLN 9 1HB GLN 9 2.527 -9.065 0.991 73 1HG GLN 9 2HG GLN 9 4.671 -10.171 1.201 74 2HG GLN 9 1HG GLN 9 4.163 -10.954 2.699 75 1HE2 GLN 9 1HE2 GLN 9 3.761 -10.983 -0.830 76 2HE2 GLN 9 2HE2 GLN 9 2.889 -12.438 -0.890 77 H GLN 10 H GLN 10 1.155 -8.319 4.242 78 HA GLN 10 HA GLN 10 -0.342 -6.158 3.051 79 1HB GLN 10 2HB GLN 10 -0.597 -8.167 5.027 80 2HB GLN 10 1HB GLN 10 -0.909 -6.658 5.837 81 1HG GLN 10 2HG GLN 10 -3.019 -6.977 5.055 82 2HG GLN 10 1HG GLN 10 -2.353 -6.266 3.596 83 1HE2 GLN 10 1HE2 GLN 10 -4.123 -7.644 2.489 84 2HE2 GLN 10 2HE2 GLN 10 -3.783 -9.276 2.174 85 H ASN 11 H ASN 11 1.604 -6.339 6.055 86 HA ASN 11 HA ASN 11 1.293 -3.547 6.753 87 1HB ASN 11 2HB ASN 11 1.930 -5.596 8.210 88 2HB ASN 11 1HB ASN 11 3.563 -5.388 7.570 89 1HD2 ASN 11 1HD2 ASN 11 4.853 -3.729 8.496 90 2HD2 ASN 11 2HD2 ASN 11 4.280 -2.625 9.652 91 H ALA 12 H ALA 12 3.926 -5.416 5.190 92 HA ALA 12 HA ALA 12 5.746 -3.234 4.801 93 1HB ALA 12 3HB ALA 12 5.242 -5.891 3.446 94 2HB ALA 12 1HB ALA 12 6.575 -5.444 4.520 95 3HB ALA 12 2HB ALA 12 6.507 -4.795 2.879 96 H PHE 13 H PHE 13 3.115 -4.580 2.788 97 HA PHE 13 HA PHE 13 3.388 -2.909 0.483 98 1HB PHE 13 2HB PHE 13 1.897 -4.843 0.489 99 2HB PHE 13 1HB PHE 13 1.016 -4.228 1.880 100 HD1 PHE 13 HD1 PHE 13 2.113 -2.603 -1.303 101 HD2 PHE 13 HD2 PHE 13 -1.160 -3.705 1.229 102 HE1 PHE 13 HE1 PHE 13 0.539 -1.542 -2.863 103 HE2 PHE 13 HE2 PHE 13 -2.734 -2.626 -0.328 104 HZ PHE 13 HZ PHE 13 -1.880 -1.549 -2.370 105 H TYR 14 H TYR 14 1.248 -2.578 3.321 106 HA TYR 14 HA TYR 14 0.192 -0.017 2.881 107 1HB TYR 14 2HB TYR 14 -0.448 -1.676 4.585 108 2HB TYR 14 1HB TYR 14 1.027 -1.304 5.482 109 HD1 TYR 14 HD1 TYR 14 -2.129 0.149 4.169 110 HD2 TYR 14 HD2 TYR 14 1.180 0.664 6.838 111 HE1 TYR 14 HE1 TYR 14 -3.268 1.962 5.203 112 HE2 TYR 14 HE2 TYR 14 0.041 2.592 7.859 113 HH TYR 14 HH TYR 14 -2.240 3.454 8.138 114 H GLU 15 H GLU 15 3.083 -0.837 4.892 115 HA GLU 15 HA GLU 15 3.857 1.837 5.494 116 1HB GLU 15 2HB GLU 15 5.424 -0.748 5.254 117 2HB GLU 15 1HB GLU 15 6.096 0.741 5.917 118 1HG GLU 15 2HG GLU 15 3.663 -0.726 7.004 119 2HG GLU 15 1HG GLU 15 5.269 -0.741 7.721 120 H ILE 16 H ILE 16 4.865 -0.299 2.744 121 HA ILE 16 HA ILE 16 6.731 1.478 1.503 122 HB ILE 16 HB ILE 16 4.907 -0.757 0.672 123 1HG1 ILE 16 2HG1 ILE 16 7.760 -0.537 -0.139 124 2HG1 ILE 16 1HG1 ILE 16 7.450 -0.604 1.593 125 1HG2 ILE 16 2HG2 ILE 16 6.271 1.076 -1.307 126 2HG2 ILE 16 1HG2 ILE 16 5.792 -0.579 -1.700 127 3HG2 ILE 16 3HG2 ILE 16 4.570 0.615 -1.261 128 1HD1 ILE 16 1HD1 ILE 16 5.893 -2.542 0.020 129 2HD1 ILE 16 3HD1 ILE 16 7.654 -2.794 -0.033 130 3HD1 ILE 16 2HD1 ILE 16 6.814 -2.761 1.518 131 H LEU 17 H LEU 17 3.180 1.263 1.121 132 HA LEU 17 HA LEU 17 2.907 3.554 -0.660 133 1HB LEU 17 2HB LEU 17 0.941 2.255 1.260 134 2HB LEU 17 1HB LEU 17 0.508 3.383 -0.018 135 HG LEU 17 HG LEU 17 2.108 1.168 -1.032 136 1HD1 LEU 17 2HD1 LEU 17 0.270 0.444 0.953 137 2HD1 LEU 17 1HD1 LEU 17 -0.559 0.153 -0.587 138 3HD1 LEU 17 3HD1 LEU 17 0.996 -0.601 -0.263 139 1HD2 LEU 17 3HD2 LEU 17 0.431 2.891 -2.151 140 2HD2 LEU 17 2HD2 LEU 17 0.610 1.227 -2.762 141 3HD2 LEU 17 1HD2 LEU 17 -0.749 1.628 -1.694 142 H HIS 18 H HIS 18 2.651 3.207 2.915 143 HA HIS 18 HA HIS 18 1.925 6.025 3.284 144 1HB HIS 18 2HB HIS 18 2.478 3.674 5.102 145 2HB HIS 18 1HB HIS 18 2.164 5.286 5.746 146 HD1 HIS 18 HD1 HIS 18 -0.269 6.174 5.616 147 HD2 HIS 18 HD2 HIS 18 0.188 2.476 3.783 148 HE1 HIS 18 HE1 HIS 18 -2.586 5.281 5.012 149 H LEU 19 H LEU 19 4.961 4.641 2.657 150 HA LEU 19 HA LEU 19 6.598 6.082 4.576 151 1HB LEU 19 2HB LEU 19 7.006 4.642 1.966 152 2HB LEU 19 1HB LEU 19 8.303 5.674 2.558 153 HG LEU 19 HG LEU 19 7.014 3.461 4.187 154 1HD1 LEU 19 1HD1 LEU 19 9.468 3.518 2.435 155 2HD1 LEU 19 3HD1 LEU 19 9.357 2.410 3.806 156 3HD1 LEU 19 2HD1 LEU 19 8.182 2.313 2.492 157 1HD2 LEU 19 2HD2 LEU 19 8.525 5.649 5.018 158 2HD2 LEU 19 1HD2 LEU 19 8.266 4.158 5.924 159 3HD2 LEU 19 3HD2 LEU 19 9.701 4.340 4.916 160 HA PRO 20 HA PRO 20 5.777 10.116 2.838 161 1HB PRO 20 2HB PRO 20 7.730 11.485 4.200 162 2HB PRO 20 1HB PRO 20 6.173 11.005 4.907 163 1HG PRO 20 2HG PRO 20 8.831 9.654 5.104 164 2HG PRO 20 1HG PRO 20 7.640 9.979 6.375 165 1HD PRO 20 1HD PRO 20 7.841 7.558 5.269 166 2HD PRO 20 2HD PRO 20 6.258 8.235 5.717 167 H ASN 21 H ASN 21 8.917 8.487 2.459 168 HA ASN 21 HA ASN 21 9.628 10.524 0.375 169 1HB ASN 21 2HB ASN 21 11.279 8.695 2.119 170 2HB ASN 21 1HB ASN 21 11.967 9.603 0.777 171 1HD2 ASN 21 1HD2 ASN 21 11.316 9.801 4.103 172 2HD2 ASN 21 2HD2 ASN 21 11.382 11.488 4.265 173 H LEU 22 H LEU 22 8.082 7.627 0.395 174 HA LEU 22 HA LEU 22 9.607 6.393 -1.843 175 1HB LEU 22 2HB LEU 22 7.257 5.586 -0.118 176 2HB LEU 22 1HB LEU 22 7.562 4.748 -1.632 177 HG LEU 22 HG LEU 22 9.116 4.687 0.922 178 1HD1 LEU 22 2HD1 LEU 22 8.322 2.777 -1.275 179 2HD1 LEU 22 1HD1 LEU 22 9.496 2.315 -0.034 180 3HD1 LEU 22 3HD1 LEU 22 7.846 2.747 0.424 181 1HD2 LEU 22 2HD2 LEU 22 10.375 4.472 -1.829 182 2HD2 LEU 22 1HD2 LEU 22 10.853 5.554 -0.505 183 3HD2 LEU 22 3HD2 LEU 22 11.114 3.810 -0.370 184 H ASN 23 H ASN 23 8.883 6.470 -3.951 185 HA ASN 23 HA ASN 23 6.439 8.141 -4.459 186 1HB ASN 23 2HB ASN 23 7.541 8.915 -6.473 187 2HB ASN 23 1HB ASN 23 8.628 9.117 -5.126 188 1HD2 ASN 23 1HD2 ASN 23 9.290 8.797 -8.042 189 2HD2 ASN 23 2HD2 ASN 23 10.321 7.453 -8.128 190 H GLU 24 H GLU 24 5.949 7.687 -7.024 191 HA GLU 24 HA GLU 24 4.469 5.258 -7.121 192 1HB GLU 24 2HB GLU 24 4.448 7.495 -8.529 193 2HB GLU 24 1HB GLU 24 5.550 6.621 -9.586 194 1HG GLU 24 2HG GLU 24 3.479 6.095 -10.532 195 2HG GLU 24 1HG GLU 24 3.742 4.719 -9.466 196 H GLU 25 H GLU 25 7.790 5.964 -8.232 197 HA GLU 25 HA GLU 25 8.169 3.424 -9.606 198 1HB GLU 25 2HB GLU 25 9.387 5.523 -10.120 199 2HB GLU 25 1HB GLU 25 10.138 5.472 -8.529 200 1HG GLU 25 2HG GLU 25 11.690 4.571 -10.196 201 2HG GLU 25 1HG GLU 25 11.177 3.282 -9.110 202 H GLN 26 H GLN 26 9.496 4.679 -6.483 203 HA GLN 26 HA GLN 26 10.691 2.166 -5.684 204 1HB GLN 26 2HB GLN 26 9.833 4.609 -4.109 205 2HB GLN 26 1HB GLN 26 10.835 3.314 -3.461 206 1HG GLN 26 2HG GLN 26 11.532 5.112 -5.808 207 2HG GLN 26 1HG GLN 26 12.256 5.167 -4.207 208 1HE2 GLN 26 1HE2 GLN 26 13.451 4.501 -6.975 209 2HE2 GLN 26 2HE2 GLN 26 14.237 3.018 -6.729 210 H ARG 27 H ARG 27 7.621 3.716 -4.670 211 HA ARG 27 HA ARG 27 6.809 1.689 -2.835 212 1HB ARG 27 2HB ARG 27 5.765 3.855 -2.849 213 2HB ARG 27 1HB ARG 27 5.342 3.719 -4.554 214 1HG ARG 27 2HG ARG 27 3.837 1.790 -3.949 215 2HG ARG 27 1HG ARG 27 4.147 2.159 -2.253 216 1HD ARG 27 2HD ARG 27 2.042 3.217 -3.033 217 2HD ARG 27 1HD ARG 27 3.240 4.443 -2.607 218 HE ARG 27 HE ARG 27 2.999 3.530 -5.448 219 1HH1 ARG 27 1HH1 ARG 27 4.632 5.860 -3.949 220 2HH1 ARG 27 2HH1 ARG 27 3.841 7.222 -4.665 221 1HH2 ARG 27 1HH2 ARG 27 1.223 5.353 -5.981 222 2HH2 ARG 27 2HH2 ARG 27 1.907 6.935 -5.818 223 H ASN 28 H ASN 28 5.908 2.095 -6.340 224 HA ASN 28 HA ASN 28 4.227 -0.236 -6.507 225 1HB ASN 28 2HB ASN 28 4.229 1.661 -8.071 226 2HB ASN 28 1HB ASN 28 5.823 1.228 -8.591 227 1HD2 ASN 28 1HD2 ASN 28 4.772 1.044 -10.803 228 2HD2 ASN 28 2HD2 ASN 28 3.975 -0.401 -11.200 229 H ALA 29 H ALA 29 7.694 0.246 -7.298 230 HA ALA 29 HA ALA 29 8.294 -2.350 -8.329 231 1HB ALA 29 3HB ALA 29 9.669 -0.143 -8.027 232 2HB ALA 29 2HB ALA 29 10.102 -0.848 -6.464 233 3HB ALA 29 1HB ALA 29 10.509 -1.692 -7.960 234 H PHE 30 H PHE 30 8.117 -1.092 -5.017 235 HA PHE 30 HA PHE 30 8.973 -3.465 -3.647 236 1HB PHE 30 2HB PHE 30 7.411 -0.972 -3.003 237 2HB PHE 30 1HB PHE 30 7.547 -2.258 -1.808 238 HD1 PHE 30 HD1 PHE 30 10.369 -3.178 -2.875 239 HD2 PHE 30 HD2 PHE 30 8.744 0.606 -1.680 240 HE1 PHE 30 HE1 PHE 30 12.599 -2.440 -2.224 241 HE2 PHE 30 HE2 PHE 30 11.004 1.345 -1.009 242 HZ PHE 30 HZ PHE 30 12.926 -0.225 -1.283 243 H ILE 31 H ILE 31 5.791 -2.190 -4.521 244 HA ILE 31 HA ILE 31 4.270 -4.371 -3.419 245 HB ILE 31 HB ILE 31 3.759 -2.314 -5.604 246 1HG1 ILE 31 2HG1 ILE 31 2.659 -2.438 -2.822 247 2HG1 ILE 31 1HG1 ILE 31 4.245 -1.747 -3.100 248 1HG2 ILE 31 1HG2 ILE 31 2.231 -4.641 -4.815 249 2HG2 ILE 31 3HG2 ILE 31 1.379 -3.154 -4.409 250 3HG2 ILE 31 2HG2 ILE 31 1.886 -3.452 -6.068 251 1HD1 ILE 31 1HD1 ILE 31 1.676 -0.867 -4.431 252 2HD1 ILE 31 3HD1 ILE 31 2.499 -0.028 -3.105 253 3HD1 ILE 31 2HD1 ILE 31 3.285 -0.155 -4.679 254 H GLN 32 H GLN 32 6.110 -3.988 -6.455 255 HA GLN 32 HA GLN 32 4.958 -6.338 -7.766 256 1HB GLN 32 2HB GLN 32 7.432 -4.625 -8.166 257 2HB GLN 32 1HB GLN 32 7.051 -5.990 -9.218 258 1HG GLN 32 2HG GLN 32 4.934 -4.989 -9.855 259 2HG GLN 32 1HG GLN 32 5.140 -3.694 -8.679 260 1HE2 GLN 32 1HE2 GLN 32 6.371 -4.960 -11.785 261 2HE2 GLN 32 2HE2 GLN 32 7.152 -3.525 -12.241 262 H SER 33 H SER 33 7.984 -5.693 -5.936 263 HA SER 33 HA SER 33 8.935 -8.448 -5.924 264 1HB SER 33 2HB SER 33 10.483 -7.475 -4.179 265 2HB SER 33 1HB SER 33 10.482 -6.632 -5.724 266 HG SER 33 HG SER 33 10.130 -4.987 -4.427 267 H LEU 34 H LEU 34 6.814 -6.572 -3.873 268 HA LEU 34 HA LEU 34 6.849 -8.364 -1.563 269 1HB LEU 34 2HB LEU 34 6.591 -5.890 -1.547 270 2HB LEU 34 1HB LEU 34 5.075 -6.049 -2.418 271 HG LEU 34 HG LEU 34 4.266 -7.456 -0.442 272 1HD1 LEU 34 2HD1 LEU 34 6.829 -6.331 0.661 273 2HD1 LEU 34 1HD1 LEU 34 5.489 -6.845 1.689 274 3HD1 LEU 34 3HD1 LEU 34 6.295 -8.013 0.642 275 1HD2 LEU 34 1HD2 LEU 34 3.853 -4.951 -0.941 276 2HD2 LEU 34 3HD2 LEU 34 3.556 -5.521 0.696 277 3HD2 LEU 34 2HD2 LEU 34 5.039 -4.650 0.328 278 H LYS 35 H LYS 35 4.447 -7.618 -4.168 279 HA LYS 35 HA LYS 35 2.437 -9.474 -3.241 280 1HB LYS 35 2HB LYS 35 2.984 -7.855 -5.692 281 2HB LYS 35 1HB LYS 35 1.859 -9.168 -5.875 282 1HG LYS 35 2HG LYS 35 1.043 -8.015 -3.518 283 2HG LYS 35 1HG LYS 35 1.483 -6.640 -4.534 284 1HD LYS 35 2HD LYS 35 -0.194 -7.046 -6.036 285 2HD LYS 35 1HD LYS 35 -0.087 -8.795 -5.844 286 1HE LYS 35 2HE LYS 35 -0.957 -7.555 -3.360 287 2HE LYS 35 1HE LYS 35 -2.030 -7.112 -4.697 288 1HZ LYS 35 3HZ LYS 35 -1.132 -9.882 -4.064 289 2HZ LYS 35 2HZ LYS 35 -2.666 -9.245 -3.705 290 3HZ LYS 35 1HZ LYS 35 -2.184 -9.441 -5.324 291 H ASP 36 H ASP 36 5.236 -9.869 -5.411 292 HA ASP 36 HA ASP 36 4.455 -12.644 -6.097 293 1HB ASP 36 2HB ASP 36 6.717 -10.777 -6.847 294 2HB ASP 36 1HB ASP 36 6.683 -12.460 -7.371 295 H ASP 37 H ASP 37 6.812 -11.006 -3.937 296 HA ASP 37 HA ASP 37 7.765 -13.720 -3.057 297 1HB ASP 37 2HB ASP 37 9.314 -11.894 -4.159 298 2HB ASP 37 1HB ASP 37 9.276 -11.166 -2.554 299 HA PRO 38 HA PRO 38 5.461 -12.301 0.619 300 1HB PRO 38 2HB PRO 38 5.245 -14.793 1.732 301 2HB PRO 38 1HB PRO 38 4.161 -14.201 0.455 302 1HG PRO 38 2HG PRO 38 6.551 -15.967 0.221 303 2HG PRO 38 1HG PRO 38 4.961 -16.116 -0.545 304 1HD PRO 38 1HD PRO 38 7.082 -15.130 -1.865 305 2HD PRO 38 2HD PRO 38 5.430 -14.536 -2.144 306 H SER 39 H SER 39 8.255 -14.555 0.615 307 HA SER 39 HA SER 39 8.986 -14.218 3.377 308 1HB SER 39 2HB SER 39 10.603 -14.980 0.926 309 2HB SER 39 1HB SER 39 11.145 -15.201 2.587 310 HG SER 39 HG SER 39 9.346 -16.644 1.099 311 H GLN 40 H GLN 40 9.961 -12.401 0.447 312 HA GLN 40 HA GLN 40 11.957 -10.797 1.878 313 1HB GLN 40 2HB GLN 40 11.787 -11.484 -0.642 314 2HB GLN 40 1HB GLN 40 10.669 -10.122 -0.774 315 1HG GLN 40 2HG GLN 40 12.448 -8.664 0.254 316 2HG GLN 40 1HG GLN 40 13.558 -10.026 0.131 317 1HE2 GLN 40 1HE2 GLN 40 14.634 -10.273 -1.864 318 2HE2 GLN 40 2HE2 GLN 40 14.194 -9.465 -3.290 319 H SER 41 H SER 41 8.534 -10.663 1.912 320 HA SER 41 HA SER 41 7.899 -7.971 1.495 321 1HB SER 41 2HB SER 41 5.943 -8.446 2.905 322 2HB SER 41 1HB SER 41 6.321 -9.852 1.917 323 HG SER 41 HG SER 41 6.711 -10.937 3.680 324 H ALA 42 H ALA 42 8.977 -9.336 4.710 325 HA ALA 42 HA ALA 42 8.825 -6.812 6.105 326 1HB ALA 42 1HB ALA 42 10.766 -9.107 6.398 327 2HB ALA 42 2HB ALA 42 9.176 -9.011 7.170 328 3HB ALA 42 3HB ALA 42 10.450 -7.870 7.610 329 H ASN 43 H ASN 43 11.555 -8.424 4.427 330 HA ASN 43 HA ASN 43 13.571 -6.436 4.719 331 1HB ASN 43 2HB ASN 43 12.882 -8.641 2.842 332 2HB ASN 43 1HB ASN 43 14.057 -7.451 2.268 333 1HD2 ASN 43 1HD2 ASN 43 15.881 -6.985 4.035 334 2HD2 ASN 43 2HD2 ASN 43 16.469 -8.348 4.860 335 H LEU 44 H LEU 44 10.931 -6.828 2.375 336 HA LEU 44 HA LEU 44 11.628 -4.699 0.599 337 1HB LEU 44 2HB LEU 44 9.127 -6.199 1.296 338 2HB LEU 44 1HB LEU 44 9.093 -4.872 0.130 339 HG LEU 44 HG LEU 44 10.968 -7.229 0.001 340 1HD1 LEU 44 2HD1 LEU 44 8.327 -7.331 -0.426 341 2HD1 LEU 44 1HD1 LEU 44 8.853 -6.766 -2.014 342 3HD1 LEU 44 3HD1 LEU 44 9.483 -8.282 -1.364 343 1HD2 LEU 44 1HD2 LEU 44 10.922 -4.590 -1.195 344 2HD2 LEU 44 3HD2 LEU 44 12.114 -5.897 -1.366 345 3HD2 LEU 44 2HD2 LEU 44 10.713 -5.860 -2.451 346 H LEU 45 H LEU 45 9.548 -4.849 3.488 347 HA LEU 45 HA LEU 45 8.892 -2.020 3.275 348 1HB LEU 45 2HB LEU 45 7.503 -3.388 4.605 349 2HB LEU 45 1HB LEU 45 8.861 -4.040 5.517 350 HG LEU 45 HG LEU 45 9.236 -1.933 6.610 351 1HD1 LEU 45 2HD1 LEU 45 7.245 -0.868 4.587 352 2HD1 LEU 45 1HD1 LEU 45 7.689 0.024 6.037 353 3HD1 LEU 45 3HD1 LEU 45 8.917 -0.354 4.832 354 1HD2 LEU 45 1HD2 LEU 45 7.313 -3.394 7.358 355 2HD2 LEU 45 3HD2 LEU 45 7.191 -1.702 7.844 356 3HD2 LEU 45 2HD2 LEU 45 6.237 -2.302 6.486 357 H ALA 46 H ALA 46 11.352 -3.900 5.146 358 HA ALA 46 HA ALA 46 12.695 -1.731 6.427 359 1HB ALA 46 3HB ALA 46 13.515 -4.388 5.214 360 2HB ALA 46 2HB ALA 46 14.742 -3.314 5.901 361 3HB ALA 46 1HB ALA 46 13.436 -3.930 6.926 362 H GLU 47 H GLU 47 13.255 -3.039 3.087 363 HA GLU 47 HA GLU 47 15.349 -1.120 2.538 364 1HB GLU 47 2HB GLU 47 15.132 -1.921 0.201 365 2HB GLU 47 1HB GLU 47 15.299 -3.236 1.352 366 1HG GLU 47 2HG GLU 47 12.782 -3.388 1.276 367 2HG GLU 47 1HG GLU 47 12.880 -2.328 -0.131 368 H ALA 48 H ALA 48 11.781 -1.200 2.043 369 HA ALA 48 HA ALA 48 11.636 1.299 0.605 370 1HB ALA 48 1HB ALA 48 9.961 -0.633 1.088 371 2HB ALA 48 3HB ALA 48 9.662 0.210 2.613 372 3HB ALA 48 2HB ALA 48 9.323 1.012 1.067 373 H LYS 49 H LYS 49 11.737 0.409 4.068 374 HA LYS 49 HA LYS 49 11.318 3.000 5.276 375 1HB LYS 49 2HB LYS 49 12.690 0.408 6.058 376 2HB LYS 49 1HB LYS 49 12.541 1.727 7.190 377 1HG LYS 49 2HG LYS 49 10.292 0.211 5.866 378 2HG LYS 49 1HG LYS 49 10.764 0.106 7.553 379 1HD LYS 49 2HD LYS 49 10.315 2.640 7.619 380 2HD LYS 49 1HD LYS 49 9.469 2.382 6.090 381 1HE LYS 49 2HE LYS 49 7.692 1.440 7.128 382 2HE LYS 49 1HE LYS 49 8.741 0.382 8.092 383 1HZ LYS 49 2HZ LYS 49 8.265 3.277 8.627 384 2HZ LYS 49 1HZ LYS 49 7.544 1.999 9.482 385 3HZ LYS 49 3HZ LYS 49 9.222 2.229 9.564 386 H LYS 50 H LYS 50 14.055 1.072 4.259 387 HA LYS 50 HA LYS 50 16.261 2.721 5.004 388 1HB LYS 50 2HB LYS 50 16.642 0.446 4.506 389 2HB LYS 50 1HB LYS 50 15.597 0.497 3.107 390 1HG LYS 50 2HG LYS 50 17.446 2.080 2.110 391 2HG LYS 50 1HG LYS 50 18.467 1.312 3.330 392 1HD LYS 50 2HD LYS 50 16.720 -0.284 1.415 393 2HD LYS 50 1HD LYS 50 18.401 0.140 1.052 394 1HE LYS 50 2HE LYS 50 18.910 -0.914 3.414 395 2HE LYS 50 1HE LYS 50 17.338 -1.708 3.192 396 1HZ LYS 50 1HZ LYS 50 18.080 -2.478 1.012 397 2HZ LYS 50 3HZ LYS 50 19.596 -1.747 1.247 398 3HZ LYS 50 2HZ LYS 50 19.114 -3.043 2.235 399 H LEU 51 H LEU 51 14.221 2.520 2.085 400 HA LEU 51 HA LEU 51 15.645 4.507 0.515 401 1HB LEU 51 2HB LEU 51 13.162 2.903 0.442 402 2HB LEU 51 1HB LEU 51 13.051 4.440 -0.400 403 HG LEU 51 HG LEU 51 14.671 3.857 -1.959 404 1HD1 LEU 51 3HD1 LEU 51 15.696 2.030 0.187 405 2HD1 LEU 51 2HD1 LEU 51 16.062 1.657 -1.498 406 3HD1 LEU 51 1HD1 LEU 51 16.581 3.196 -0.800 407 1HD2 LEU 51 3HD2 LEU 51 13.090 1.479 -1.070 408 2HD2 LEU 51 2HD2 LEU 51 12.892 2.467 -2.518 409 3HD2 LEU 51 1HD2 LEU 51 14.230 1.319 -2.408 410 H ASN 52 H ASN 52 12.930 4.568 2.786 411 HA ASN 52 HA ASN 52 11.960 7.183 2.344 412 1HB ASN 52 2HB ASN 52 10.977 5.307 3.717 413 2HB ASN 52 1HB ASN 52 12.158 5.684 4.969 414 1HD2 ASN 52 1HD2 ASN 52 11.577 7.284 6.441 415 2HD2 ASN 52 2HD2 ASN 52 10.290 8.369 6.228 416 H ASP 53 H ASP 53 14.555 6.021 4.523 417 HA ASP 53 HA ASP 53 15.206 8.722 5.499 418 1HB ASP 53 2HB ASP 53 16.630 6.050 5.748 419 2HB ASP 53 1HB ASP 53 17.015 7.498 6.674 420 H ALA 54 H ALA 54 16.635 6.404 3.175 421 HA ALA 54 HA ALA 54 19.029 7.917 2.586 422 1HB ALA 54 3HB ALA 54 17.471 5.906 0.923 423 2HB ALA 54 2HB ALA 54 19.157 6.361 0.673 424 3HB ALA 54 1HB ALA 54 18.684 5.499 2.137 425 H GLN 55 H GLN 55 15.820 7.745 1.007 426 HA GLN 55 HA GLN 55 16.509 9.846 -0.960 427 1HB GLN 55 2HB GLN 55 13.925 8.379 -0.352 428 2HB GLN 55 1HB GLN 55 14.223 9.383 -1.766 429 1HG GLN 55 2HG GLN 55 16.025 7.850 -2.490 430 2HG GLN 55 1HG GLN 55 15.742 6.838 -1.072 431 1HE2 GLN 55 1HE2 GLN 55 12.990 6.632 -0.937 432 2HE2 GLN 55 2HE2 GLN 55 12.372 5.943 -2.359 433 H ALA 56 H ALA 56 15.698 9.980 2.293 434 HA ALA 56 HA ALA 56 13.570 11.923 2.368 435 1HB ALA 56 1HB ALA 56 15.301 12.168 4.623 436 2HB ALA 56 3HB ALA 56 13.747 11.342 4.534 437 3HB ALA 56 2HB ALA 56 15.234 10.457 4.184 438 HA PRO 57 HA PRO 57 15.685 15.655 1.522 439 1HB PRO 57 2HB PRO 57 14.186 17.413 2.985 440 2HB PRO 57 1HB PRO 57 13.607 16.665 1.484 441 1HG PRO 57 2HG PRO 57 13.021 15.932 4.308 442 2HG PRO 57 1HG PRO 57 11.937 15.981 2.906 443 1HD PRO 57 1HD PRO 57 13.005 13.685 3.892 444 2HD PRO 57 2HD PRO 57 12.568 13.904 2.184 445 H LYS 58 H LYS 58 17.262 17.045 2.440 446 HA LYS 58 HA LYS 58 18.922 17.740 3.933 447 1HB LYS 58 2HB LYS 58 16.788 18.664 4.946 448 2HB LYS 58 1HB LYS 58 16.759 17.262 6.016 449 1HG LYS 58 2HG LYS 58 19.016 17.887 6.860 450 2HG LYS 58 1HG LYS 58 18.978 19.324 5.835 451 1HD LYS 58 2HD LYS 58 16.890 20.050 7.005 452 2HD LYS 58 1HD LYS 58 17.058 18.668 8.089 453 1HE LYS 58 2HE LYS 58 19.241 19.509 8.867 454 2HE LYS 58 1HE LYS 58 19.118 20.881 7.750 455 1HZ LYS 58 3HZ LYS 58 17.159 20.226 9.896 456 2HZ LYS 58 2HZ LYS 58 18.311 21.473 9.964 457 3HZ LYS 58 1HZ LYS 58 17.053 21.540 8.824 458 H1 VAL 1 2H VAL 1 0.296 -18.119 -16.880 459 H2 VAL 1 1H VAL 1 -0.978 -18.896 -16.071 460 H3 VAL 1 3H VAL 1 -0.920 -18.897 -17.767 461 HA VAL 1 HA VAL 1 -1.400 -16.587 -17.907 462 HB VAL 1 HB VAL 1 -3.075 -18.015 -15.795 463 1HG1 VAL 1 1HG1 VAL 1 -3.607 -15.540 -17.454 464 2HG1 VAL 1 3HG1 VAL 1 -4.911 -16.501 -16.753 465 3HG1 VAL 1 2HG1 VAL 1 -3.729 -15.724 -15.702 466 1HG2 VAL 1 1HG2 VAL 1 -3.143 -17.927 -18.820 467 2HG2 VAL 1 3HG2 VAL 1 -3.071 -19.345 -17.772 468 3HG2 VAL 1 2HG2 VAL 1 -4.554 -18.397 -17.873 469 H ASP 2 H ASP 2 0.232 -15.186 -17.090 470 HA ASP 2 HA ASP 2 0.474 -14.736 -14.168 471 1HB ASP 2 2HB ASP 2 2.425 -14.905 -15.749 472 2HB ASP 2 1HB ASP 2 1.873 -13.423 -16.529 473 H ASN 3 H ASN 3 -0.999 -13.369 -13.243 474 HA ASN 3 HA ASN 3 -1.697 -10.823 -14.670 475 1HB ASN 3 2HB ASN 3 -3.445 -12.962 -13.463 476 2HB ASN 3 1HB ASN 3 -4.014 -11.293 -13.483 477 1HD2 ASN 3 1HD2 ASN 3 -4.447 -10.299 -15.596 478 2HD2 ASN 3 2HD2 ASN 3 -4.549 -11.240 -17.004 479 H LYS 4 H LYS 4 -0.064 -9.845 -13.251 480 HA LYS 4 HA LYS 4 -0.648 -9.853 -10.326 481 1HB LYS 4 2HB LYS 4 1.662 -9.196 -12.115 482 2HB LYS 4 1HB LYS 4 1.577 -8.375 -10.558 483 1HG LYS 4 2HG LYS 4 2.455 -10.219 -9.604 484 2HG LYS 4 1HG LYS 4 0.967 -11.075 -10.008 485 1HD LYS 4 2HD LYS 4 2.725 -12.357 -10.981 486 2HD LYS 4 1HD LYS 4 1.987 -11.477 -12.316 487 1HE LYS 4 2HE LYS 4 3.862 -10.209 -12.684 488 2HE LYS 4 1HE LYS 4 4.214 -10.053 -10.954 489 1HZ LYS 4 2HZ LYS 4 4.584 -12.532 -12.562 490 2HZ LYS 4 1HZ LYS 4 5.832 -11.488 -12.074 491 3HZ LYS 4 3HZ LYS 4 4.948 -12.348 -10.911 492 H PHE 5 H PHE 5 -1.552 -8.126 -9.314 493 HA PHE 5 HA PHE 5 -2.264 -5.696 -10.897 494 1HB PHE 5 2HB PHE 5 -3.277 -7.184 -8.482 495 2HB PHE 5 1HB PHE 5 -3.712 -5.501 -8.693 496 HD1 PHE 5 HD1 PHE 5 -3.492 -8.598 -10.823 497 HD2 PHE 5 HD2 PHE 5 -5.734 -5.099 -9.745 498 HE1 PHE 5 HE1 PHE 5 -5.275 -9.257 -12.398 499 HE2 PHE 5 HE2 PHE 5 -7.518 -5.759 -11.327 500 HZ PHE 5 HZ PHE 5 -7.295 -7.839 -12.656 501 H ASN 6 H ASN 6 0.486 -6.205 -9.644 502 HA ASN 6 HA ASN 6 0.829 -4.746 -7.221 503 1HB ASN 6 2HB ASN 6 2.877 -4.982 -9.426 504 2HB ASN 6 1HB ASN 6 3.162 -4.871 -7.694 505 1HD2 ASN 6 1HD2 ASN 6 4.083 -7.046 -9.529 506 2HD2 ASN 6 2HD2 ASN 6 3.410 -8.478 -8.918 507 H LYS 7 H LYS 7 1.092 -3.663 -10.579 508 HA LYS 7 HA LYS 7 1.924 -0.967 -10.092 509 1HB LYS 7 2HB LYS 7 1.817 -2.280 -12.290 510 2HB LYS 7 1HB LYS 7 0.087 -1.932 -12.296 511 1HG LYS 7 2HG LYS 7 1.224 0.556 -11.805 512 2HG LYS 7 1HG LYS 7 2.350 -0.175 -12.946 513 1HD LYS 7 2HD LYS 7 0.861 0.666 -14.476 514 2HD LYS 7 1HD LYS 7 0.031 -0.854 -14.147 515 1HE LYS 7 2HE LYS 7 -0.644 1.267 -12.210 516 2HE LYS 7 1HE LYS 7 -1.114 1.655 -13.875 517 1HZ LYS 7 3HZ LYS 7 -1.703 -0.916 -12.490 518 2HZ LYS 7 2HZ LYS 7 -2.821 0.337 -12.732 519 3HZ LYS 7 1HZ LYS 7 -2.180 -0.498 -14.063 520 H GLU 8 H GLU 8 -1.247 -2.466 -10.185 521 HA GLU 8 HA GLU 8 -2.790 -0.066 -9.923 522 1HB GLU 8 2HB GLU 8 -3.173 -3.000 -9.715 523 2HB GLU 8 1HB GLU 8 -4.380 -2.009 -8.890 524 1HG GLU 8 2HG GLU 8 -4.997 -0.899 -10.886 525 2HG GLU 8 1HG GLU 8 -3.550 -1.437 -11.733 526 H LEU 9 H LEU 9 -1.229 -2.153 -7.511 527 HA LEU 9 HA LEU 9 -2.560 -0.917 -5.245 528 1HB LEU 9 2HB LEU 9 0.177 -2.171 -5.193 529 2HB LEU 9 1HB LEU 9 -0.941 -1.973 -3.895 530 HG LEU 9 HG LEU 9 -1.702 -3.644 -6.253 531 1HD1 LEU 9 2HD1 LEU 9 0.152 -4.239 -3.994 532 2HD1 LEU 9 1HD1 LEU 9 -1.051 -5.477 -4.354 533 3HD1 LEU 9 3HD1 LEU 9 0.098 -4.974 -5.600 534 1HD2 LEU 9 1HD2 LEU 9 -2.622 -3.331 -3.376 535 2HD2 LEU 9 3HD2 LEU 9 -3.540 -2.948 -4.839 536 3HD2 LEU 9 2HD2 LEU 9 -3.176 -4.632 -4.421 537 H SER 10 H SER 10 0.294 -0.112 -7.154 538 HA SER 10 HA SER 10 1.457 1.789 -5.331 539 1HB SER 10 2HB SER 10 2.672 0.906 -7.191 540 2HB SER 10 1HB SER 10 1.472 1.470 -8.335 541 HG SER 10 HG SER 10 2.313 3.415 -8.236 542 H VAL 11 H VAL 11 -0.921 2.092 -8.010 543 HA VAL 11 HA VAL 11 -1.417 4.956 -7.511 544 HB VAL 11 HB VAL 11 -2.953 2.966 -9.224 545 1HG1 VAL 11 2HG1 VAL 11 -2.697 5.973 -9.158 546 2HG1 VAL 11 1HG1 VAL 11 -3.235 5.127 -10.610 547 3HG1 VAL 11 3HG1 VAL 11 -4.162 4.993 -9.116 548 1HG2 VAL 11 3HG2 VAL 11 -0.515 2.884 -9.751 549 2HG2 VAL 11 2HG2 VAL 11 -1.454 3.589 -11.072 550 3HG2 VAL 11 1HG2 VAL 11 -0.530 4.634 -9.994 551 H ALA 12 H ALA 12 -3.428 1.982 -7.310 552 HA ALA 12 HA ALA 12 -5.706 3.136 -6.040 553 1HB ALA 12 2HB ALA 12 -5.438 0.881 -7.239 554 2HB ALA 12 3HB ALA 12 -6.408 0.866 -5.766 555 3HB ALA 12 1HB ALA 12 -4.738 0.278 -5.726 556 H GLY 13 H GLY 13 -3.051 1.291 -4.648 557 1HA GLY 13 1HA GLY 13 -2.229 1.101 -2.496 558 2HA GLY 13 2HA GLY 13 -3.867 1.441 -1.939 559 H ARG 14 H ARG 14 -1.352 3.378 -3.630 560 HA ARG 14 HA ARG 14 -0.749 4.987 -1.371 561 1HB ARG 14 2HB ARG 14 0.528 4.727 -3.543 562 2HB ARG 14 1HB ARG 14 -0.590 5.895 -4.251 563 1HG ARG 14 2HG ARG 14 1.379 7.080 -3.456 564 2HG ARG 14 1HG ARG 14 0.011 7.497 -2.429 565 1HD ARG 14 2HD ARG 14 0.995 6.617 -0.596 566 2HD ARG 14 1HD ARG 14 1.446 5.137 -1.461 567 HE ARG 14 HE ARG 14 3.533 6.128 -1.994 568 1HH1 ARG 14 1HH1 ARG 14 2.831 8.728 -3.100 569 2HH1 ARG 14 2HH1 ARG 14 3.348 9.847 -1.887 570 1HH2 ARG 14 1HH2 ARG 14 3.579 7.429 0.616 571 2HH2 ARG 14 2HH2 ARG 14 3.776 9.106 0.233 572 H GLU 15 H GLU 15 -3.291 5.548 -3.873 573 HA GLU 15 HA GLU 15 -3.990 8.208 -2.918 574 1HB GLU 15 2HB GLU 15 -5.409 6.078 -4.540 575 2HB GLU 15 1HB GLU 15 -6.160 7.632 -4.177 576 1HG GLU 15 2HG GLU 15 -4.159 8.773 -5.183 577 2HG GLU 15 1HG GLU 15 -3.550 7.192 -5.664 578 H ILE 16 H ILE 16 -5.161 4.923 -2.184 579 HA ILE 16 HA ILE 16 -7.185 5.610 -0.237 580 HB ILE 16 HB ILE 16 -5.514 3.133 -0.832 581 1HG1 ILE 16 2HG1 ILE 16 -8.461 3.572 -1.337 582 2HG1 ILE 16 1HG1 ILE 16 -7.261 4.153 -2.483 583 1HG2 ILE 16 2HG2 ILE 16 -7.765 3.552 1.141 584 2HG2 ILE 16 1HG2 ILE 16 -7.460 1.967 0.421 585 3HG2 ILE 16 3HG2 ILE 16 -6.214 2.751 1.398 586 1HD1 ILE 16 3HD1 ILE 16 -6.405 1.593 -2.103 587 2HD1 ILE 16 2HD1 ILE 16 -8.145 1.398 -1.901 588 3HD1 ILE 16 1HD1 ILE 16 -7.506 2.091 -3.392 589 H VAL 17 H VAL 17 -3.698 5.302 -0.155 590 HA VAL 17 HA VAL 17 -3.261 5.061 2.692 591 HB VAL 17 HB VAL 17 -1.668 5.719 0.228 592 1HG1 VAL 17 3HG1 VAL 17 -0.917 6.559 2.936 593 2HG1 VAL 17 2HG1 VAL 17 0.292 5.565 2.125 594 3HG1 VAL 17 1HG1 VAL 17 -0.268 7.060 1.370 595 1HG2 VAL 17 1HG2 VAL 17 -2.106 3.459 1.977 596 2HG2 VAL 17 3HG2 VAL 17 -1.390 3.525 0.355 597 3HG2 VAL 17 2HG2 VAL 17 -0.383 3.809 1.769 598 H THR 18 H THR 18 -3.522 7.852 0.445 599 HA THR 18 HA THR 18 -3.594 9.627 2.845 600 HB THR 18 HB THR 18 -1.316 9.454 1.856 601 HG1 THR 18 HG1 THR 18 -1.000 11.521 2.184 602 1HG2 THR 18 2HG2 THR 18 -2.810 9.968 -0.618 603 2HG2 THR 18 1HG2 THR 18 -1.415 11.026 -0.425 604 3HG2 THR 18 3HG2 THR 18 -1.204 9.275 -0.396 605 H LEU 19 H LEU 19 -5.961 8.823 1.193 606 HA LEU 19 HA LEU 19 -6.573 10.940 -0.699 607 1HB LEU 19 2HB LEU 19 -8.945 10.187 -0.293 608 2HB LEU 19 1HB LEU 19 -7.830 8.905 -0.729 609 HG LEU 19 HG LEU 19 -7.945 9.326 2.156 610 1HD1 LEU 19 3HD1 LEU 19 -10.441 9.054 0.552 611 2HD1 LEU 19 2HD1 LEU 19 -10.310 8.105 2.033 612 3HD1 LEU 19 1HD1 LEU 19 -10.168 9.865 2.096 613 1HD2 LEU 19 3HD2 LEU 19 -7.341 7.271 0.372 614 2HD2 LEU 19 2HD2 LEU 19 -7.566 7.083 2.111 615 3HD2 LEU 19 1HD2 LEU 19 -8.913 6.788 1.019 616 HA PRO 20 HA PRO 20 -7.293 14.567 1.522 617 1HB PRO 20 2HB PRO 20 -9.820 15.422 0.848 618 2HB PRO 20 1HB PRO 20 -8.395 15.535 -0.203 619 1HG PRO 20 2HG PRO 20 -10.524 13.436 -0.140 620 2HG PRO 20 1HG PRO 20 -9.832 14.288 -1.533 621 1HD PRO 20 1HD PRO 20 -9.021 11.835 -0.944 622 2HD PRO 20 2HD PRO 20 -7.842 13.063 -1.459 623 H ASN 21 H ASN 21 -10.039 12.308 2.253 624 HA ASN 21 HA ASN 21 -10.180 13.713 4.930 625 1HB ASN 21 2HB ASN 21 -12.376 12.656 3.163 626 2HB ASN 21 1HB ASN 21 -12.644 13.215 4.801 627 1HD2 ASN 21 1HD2 ASN 21 -13.658 14.345 2.196 628 2HD2 ASN 21 2HD2 ASN 21 -13.158 15.970 2.194 629 H LEU 22 H LEU 22 -8.871 10.952 4.174 630 HA LEU 22 HA LEU 22 -10.647 9.153 5.766 631 1HB LEU 22 2HB LEU 22 -9.301 8.652 3.552 632 2HB LEU 22 1HB LEU 22 -8.012 8.318 4.689 633 HG LEU 22 HG LEU 22 -9.923 6.922 5.900 634 1HD1 LEU 22 1HD1 LEU 22 -11.525 7.701 4.007 635 2HD1 LEU 22 3HD1 LEU 22 -10.686 6.509 3.014 636 3HD1 LEU 22 2HD1 LEU 22 -11.544 5.999 4.468 637 1HD2 LEU 22 3HD2 LEU 22 -7.956 6.308 3.765 638 2HD2 LEU 22 2HD2 LEU 22 -8.120 5.630 5.388 639 3HD2 LEU 22 1HD2 LEU 22 -9.159 5.053 4.087 640 H ASN 23 H ASN 23 -9.858 7.979 7.525 641 HA ASN 23 HA ASN 23 -7.710 9.359 9.096 642 1HB ASN 23 2HB ASN 23 -8.739 8.217 11.045 643 2HB ASN 23 1HB ASN 23 -9.911 9.187 10.165 644 1HD2 ASN 23 1HD2 ASN 23 -11.680 7.840 11.038 645 2HD2 ASN 23 2HD2 ASN 23 -11.955 6.277 10.436 646 H ASP 24 H ASP 24 -6.140 7.966 10.286 647 HA ASP 24 HA ASP 24 -4.789 6.179 8.605 648 1HB ASP 24 2HB ASP 24 -3.337 5.752 10.517 649 2HB ASP 24 1HB ASP 24 -3.759 7.455 10.414 650 HA PRO 25 HA PRO 25 -6.505 2.396 11.068 651 1HB PRO 25 2HB PRO 25 -9.130 2.525 11.844 652 2HB PRO 25 1HB PRO 25 -7.770 2.929 12.912 653 1HG PRO 25 2HG PRO 25 -9.557 4.738 11.360 654 2HG PRO 25 1HG PRO 25 -8.940 4.907 13.010 655 1HD PRO 25 1HD PRO 25 -7.883 6.250 10.932 656 2HD PRO 25 2HD PRO 25 -6.912 5.716 12.314 657 H GLN 26 H GLN 26 -8.934 4.299 9.184 658 HA GLN 26 HA GLN 26 -10.097 2.000 7.884 659 1HB GLN 26 2HB GLN 26 -10.049 4.965 7.258 660 2HB GLN 26 1HB GLN 26 -10.992 3.800 6.322 661 1HG GLN 26 2HG GLN 26 -12.100 3.058 8.449 662 2HG GLN 26 1HG GLN 26 -11.243 4.336 9.301 663 1HE2 GLN 26 1HE2 GLN 26 -11.517 6.460 7.374 664 2HE2 GLN 26 2HE2 GLN 26 -13.163 6.829 7.234 665 H LYS 27 H LYS 27 -7.527 4.307 6.789 666 HA LYS 27 HA LYS 27 -7.158 3.111 4.219 667 1HB LYS 27 2HB LYS 27 -4.763 4.033 4.471 668 2HB LYS 27 1HB LYS 27 -6.106 5.177 4.440 669 1HG LYS 27 2HG LYS 27 -5.963 5.077 7.028 670 2HG LYS 27 1HG LYS 27 -4.400 4.318 6.772 671 1HD LYS 27 2HD LYS 27 -3.855 6.606 6.910 672 2HD LYS 27 1HD LYS 27 -3.942 6.320 5.175 673 1HE LYS 27 2HE LYS 27 -6.477 7.008 5.462 674 2HE LYS 27 1HE LYS 27 -5.887 7.789 6.939 675 1HZ LYS 27 2HZ LYS 27 -4.130 8.840 5.581 676 2HZ LYS 27 1HZ LYS 27 -4.851 8.193 4.184 677 3HZ LYS 27 3HZ LYS 27 -5.693 9.325 5.124 678 H LYS 28 H LYS 28 -5.703 2.270 7.378 679 HA LYS 28 HA LYS 28 -3.795 0.363 6.409 680 1HB LYS 28 2HB LYS 28 -5.398 0.686 8.978 681 2HB LYS 28 1HB LYS 28 -4.403 -0.750 8.761 682 1HG LYS 28 2HG LYS 28 -2.841 1.459 8.006 683 2HG LYS 28 1HG LYS 28 -3.594 1.901 9.514 684 1HD LYS 28 2HD LYS 28 -1.755 0.791 10.343 685 2HD LYS 28 1HD LYS 28 -2.827 -0.593 10.150 686 1HE LYS 28 2HE LYS 28 -1.764 -0.639 7.704 687 2HE LYS 28 1HE LYS 28 -0.453 0.223 8.527 688 1HZ LYS 28 2HZ LYS 28 -0.554 -1.503 10.297 689 2HZ LYS 28 1HZ LYS 28 -1.620 -2.392 9.314 690 3HZ LYS 28 3HZ LYS 28 -0.034 -2.089 8.793 691 H ALA 29 H ALA 29 -7.148 -0.242 7.679 692 HA ALA 29 HA ALA 29 -7.351 -2.988 6.884 693 1HB ALA 29 2HB ALA 29 -9.795 -2.551 7.132 694 2HB ALA 29 3HB ALA 29 -9.465 -0.818 7.152 695 3HB ALA 29 1HB ALA 29 -8.868 -1.847 8.456 696 H PHE 30 H PHE 30 -7.923 0.018 5.099 697 HA PHE 30 HA PHE 30 -9.220 -1.058 2.768 698 1HB PHE 30 2HB PHE 30 -8.194 1.432 3.791 699 2HB PHE 30 1HB PHE 30 -7.604 1.220 2.155 700 HD1 PHE 30 HD1 PHE 30 -9.260 0.592 0.346 701 HD2 PHE 30 HD2 PHE 30 -10.407 2.109 4.192 702 HE1 PHE 30 HE1 PHE 30 -11.484 1.213 -0.551 703 HE2 PHE 30 HE2 PHE 30 -12.625 2.735 3.292 704 HZ PHE 30 HZ PHE 30 -13.161 2.287 0.924 705 H ILE 31 H ILE 31 -5.817 -0.131 3.316 706 HA ILE 31 HA ILE 31 -4.854 -1.076 0.776 707 HB ILE 31 HB ILE 31 -3.725 -0.338 3.461 708 1HG1 ILE 31 2HG1 ILE 31 -4.051 0.829 0.763 709 2HG1 ILE 31 1HG1 ILE 31 -3.977 1.628 2.340 710 1HG2 ILE 31 1HG2 ILE 31 -2.407 -2.328 2.262 711 2HG2 ILE 31 3HG2 ILE 31 -1.810 -1.014 1.239 712 3HG2 ILE 31 2HG2 ILE 31 -1.541 -0.982 2.981 713 1HD1 ILE 31 1HD1 ILE 31 -1.533 0.417 1.120 714 2HD1 ILE 31 3HD1 ILE 31 -2.089 2.005 0.635 715 3HD1 ILE 31 2HD1 ILE 31 -1.667 1.700 2.332 716 H PHE 32 H PHE 32 -5.078 -2.546 4.023 717 HA PHE 32 HA PHE 32 -3.714 -4.974 3.389 718 1HB PHE 32 2HB PHE 32 -5.633 -4.018 5.506 719 2HB PHE 32 1HB PHE 32 -5.203 -5.726 5.445 720 HD1 PHE 32 HD1 PHE 32 -3.363 -6.401 6.835 721 HD2 PHE 32 HD2 PHE 32 -3.317 -2.353 5.118 722 HE1 PHE 32 HE1 PHE 32 -1.237 -5.894 7.901 723 HE2 PHE 32 HE2 PHE 32 -1.217 -1.946 6.267 724 HZ PHE 32 HZ PHE 32 -0.166 -3.747 7.595 725 H SER 33 H SER 33 -7.144 -3.932 2.850 726 HA SER 33 HA SER 33 -7.910 -6.632 1.896 727 1HB SER 33 2HB SER 33 -10.029 -5.521 1.325 728 2HB SER 33 1HB SER 33 -9.535 -5.067 2.947 729 HG SER 33 HG SER 33 -9.445 -3.087 2.302 730 H LEU 34 H LEU 34 -6.696 -3.580 0.528 731 HA LEU 34 HA LEU 34 -7.059 -4.094 -2.292 732 1HB LEU 34 2HB LEU 34 -6.488 -1.903 -1.274 733 2HB LEU 34 1HB LEU 34 -4.947 -2.529 -0.742 734 HG LEU 34 HG LEU 34 -4.567 -3.008 -3.258 735 1HD1 LEU 34 2HD1 LEU 34 -6.979 -1.226 -3.284 736 2HD1 LEU 34 1HD1 LEU 34 -5.779 -1.083 -4.570 737 3HD1 LEU 34 3HD1 LEU 34 -6.608 -2.618 -4.304 738 1HD2 LEU 34 1HD2 LEU 34 -3.696 -1.046 -1.636 739 2HD2 LEU 34 3HD2 LEU 34 -3.339 -1.044 -3.367 740 3HD2 LEU 34 2HD2 LEU 34 -4.666 -0.069 -2.742 741 H TRP 35 H TRP 35 -4.430 -4.820 -0.004 742 HA TRP 35 HA TRP 35 -2.562 -6.014 -1.831 743 1HB TRP 35 2HB TRP 35 -2.162 -5.175 0.494 744 2HB TRP 35 1HB TRP 35 -3.019 -6.587 1.107 745 HD1 TRP 35 HD1 TRP 35 -1.615 -8.695 1.434 746 HE1 TRP 35 HE1 TRP 35 0.688 -9.487 0.657 747 HE3 TRP 35 HE3 TRP 35 -0.418 -4.896 -1.720 748 HZ2 TRP 35 HZ2 TRP 35 2.797 -8.601 -1.068 749 HZ3 TRP 35 HZ3 TRP 35 1.739 -4.903 -2.925 750 HH2 TRP 35 HH2 TRP 35 3.333 -6.733 -2.598 751 H ASP 36 H ASP 36 -5.139 -7.423 0.246 752 HA ASP 36 HA ASP 36 -4.601 -10.181 -0.394 753 1HB ASP 36 2HB ASP 36 -5.913 -9.032 1.566 754 2HB ASP 36 1HB ASP 36 -7.281 -9.077 0.455 755 H ASP 37 H ASP 37 -7.000 -7.806 -1.641 756 HA ASP 37 HA ASP 37 -7.275 -9.522 -4.049 757 1HB ASP 37 2HB ASP 37 -9.617 -8.115 -2.732 758 2HB ASP 37 1HB ASP 37 -9.669 -9.360 -3.973 759 HA PRO 38 HA PRO 38 -6.458 -5.101 -5.183 760 1HB PRO 38 2HB PRO 38 -4.698 -5.624 -7.177 761 2HB PRO 38 1HB PRO 38 -4.229 -5.432 -5.484 762 1HG PRO 38 2HG PRO 38 -4.639 -7.939 -7.052 763 2HG PRO 38 1HG PRO 38 -3.379 -7.551 -5.871 764 1HD PRO 38 1HD PRO 38 -5.531 -9.087 -5.267 765 2HD PRO 38 2HD PRO 38 -4.723 -8.046 -4.071 766 H SER 39 H SER 39 -7.888 -7.840 -6.657 767 HA SER 39 HA SER 39 -8.359 -6.949 -9.353 768 1HB SER 39 2HB SER 39 -9.000 -9.128 -7.792 769 2HB SER 39 1HB SER 39 -10.559 -8.326 -7.915 770 HG SER 39 HG SER 39 -9.924 -9.877 -9.641 771 H GLN 40 H GLN 40 -9.822 -6.223 -6.215 772 HA GLN 40 HA GLN 40 -11.877 -4.392 -7.340 773 1HB GLN 40 2HB GLN 40 -11.191 -4.737 -4.417 774 2HB GLN 40 1HB GLN 40 -12.751 -4.369 -5.133 775 1HG GLN 40 2HG GLN 40 -11.312 -7.034 -5.128 776 2HG GLN 40 1HG GLN 40 -12.789 -6.625 -4.270 777 1HE2 GLN 40 1HE2 GLN 40 -12.091 -8.608 -6.599 778 2HE2 GLN 40 2HE2 GLN 40 -13.323 -8.315 -7.732 779 H SER 41 H SER 41 -8.686 -3.913 -7.255 780 HA SER 41 HA SER 41 -8.070 -1.895 -5.392 781 1HB SER 41 2HB SER 41 -6.268 -1.322 -6.935 782 2HB SER 41 1HB SER 41 -6.443 -3.059 -6.752 783 HG SER 41 HG SER 41 -6.774 -3.145 -8.829 784 H ALA 42 H ALA 42 -9.533 -1.525 -8.654 785 HA ALA 42 HA ALA 42 -9.557 1.369 -8.690 786 1HB ALA 42 2HB ALA 42 -11.383 -0.699 -9.984 787 2HB ALA 42 1HB ALA 42 -11.282 0.996 -10.460 788 3HB ALA 42 3HB ALA 42 -9.892 -0.068 -10.681 789 H ASN 43 H ASN 43 -11.926 -1.099 -7.645 790 HA ASN 43 HA ASN 43 -13.965 0.688 -6.734 791 1HB ASN 43 2HB ASN 43 -14.200 -1.755 -7.279 792 2HB ASN 43 1HB ASN 43 -13.294 -2.127 -5.813 793 1HD2 ASN 43 1HD2 ASN 43 -16.304 -0.474 -6.921 794 2HD2 ASN 43 2HD2 ASN 43 -17.146 -0.720 -5.468 795 H LEU 44 H LEU 44 -11.044 -0.685 -5.175 796 HA LEU 44 HA LEU 44 -11.678 0.063 -2.459 797 1HB LEU 44 2HB LEU 44 -9.363 -0.860 -4.071 798 2HB LEU 44 1HB LEU 44 -8.967 -0.035 -2.566 799 HG LEU 44 HG LEU 44 -11.137 -2.046 -2.402 800 1HD1 LEU 44 1HD1 LEU 44 -8.610 -2.691 -3.627 801 2HD1 LEU 44 3HD1 LEU 44 -8.718 -3.482 -2.050 802 3HD1 LEU 44 2HD1 LEU 44 -9.967 -3.767 -3.266 803 1HD2 LEU 44 1HD2 LEU 44 -8.789 -1.072 -0.759 804 2HD2 LEU 44 3HD2 LEU 44 -10.518 -0.984 -0.391 805 3HD2 LEU 44 2HD2 LEU 44 -9.674 -2.537 -0.312 806 H LEU 45 H LEU 45 -9.680 1.567 -4.922 807 HA LEU 45 HA LEU 45 -8.883 3.924 -3.549 808 1HB LEU 45 2HB LEU 45 -8.464 2.778 -6.009 809 2HB LEU 45 1HB LEU 45 -9.492 4.142 -6.447 810 HG LEU 45 HG LEU 45 -6.872 4.243 -4.933 811 1HD1 LEU 45 3HD1 LEU 45 -7.197 4.075 -7.585 812 2HD1 LEU 45 2HD1 LEU 45 -7.446 5.813 -7.402 813 3HD1 LEU 45 1HD1 LEU 45 -5.940 5.073 -6.857 814 1HD2 LEU 45 2HD2 LEU 45 -9.081 6.231 -5.252 815 2HD2 LEU 45 1HD2 LEU 45 -7.985 5.971 -3.893 816 3HD2 LEU 45 3HD2 LEU 45 -7.426 6.823 -5.332 817 H ALA 46 H ALA 46 -11.741 3.229 -5.566 818 HA ALA 46 HA ALA 46 -12.998 5.828 -5.384 819 1HB ALA 46 2HB ALA 46 -15.017 4.382 -6.011 820 2HB ALA 46 1HB ALA 46 -13.625 4.239 -7.086 821 3HB ALA 46 3HB ALA 46 -13.937 2.992 -5.879 822 H GLU 47 H GLU 47 -13.387 2.770 -3.559 823 HA GLU 47 HA GLU 47 -15.387 3.567 -1.715 824 1HB GLU 47 2HB GLU 47 -14.303 1.254 -2.280 825 2HB GLU 47 1HB GLU 47 -13.097 1.686 -1.064 826 1HG GLU 47 2HG GLU 47 -14.840 0.406 0.035 827 2HG GLU 47 1HG GLU 47 -15.008 2.082 0.553 828 H ALA 48 H ALA 48 -11.870 3.984 -1.695 829 HA ALA 48 HA ALA 48 -11.545 4.916 1.012 830 1HB ALA 48 1HB ALA 48 -9.448 4.549 0.189 831 2HB ALA 48 2HB ALA 48 -9.564 6.127 -0.593 832 3HB ALA 48 3HB ALA 48 -10.011 4.651 -1.484 833 H LYS 49 H LYS 49 -11.908 6.655 -2.109 834 HA LYS 49 HA LYS 49 -12.024 9.318 -1.024 835 1HB LYS 49 2HB LYS 49 -13.121 8.062 -3.563 836 2HB LYS 49 1HB LYS 49 -13.055 9.802 -3.280 837 1HG LYS 49 2HG LYS 49 -10.587 9.637 -2.973 838 2HG LYS 49 1HG LYS 49 -10.674 7.914 -3.341 839 1HD LYS 49 2HD LYS 49 -11.724 8.523 -5.554 840 2HD LYS 49 1HD LYS 49 -11.379 10.213 -5.188 841 1HE LYS 49 2HE LYS 49 -9.083 8.336 -4.882 842 2HE LYS 49 1HE LYS 49 -9.634 8.627 -6.541 843 1HZ LYS 49 3HZ LYS 49 -9.018 10.742 -4.534 844 2HZ LYS 49 2HZ LYS 49 -8.016 10.298 -5.831 845 3HZ LYS 49 1HZ LYS 49 -9.530 11.008 -6.131 846 H LYS 50 H LYS 50 -14.588 6.961 -1.870 847 HA LYS 50 HA LYS 50 -16.889 8.548 -1.229 848 1HB LYS 50 2HB LYS 50 -16.276 5.578 -1.201 849 2HB LYS 50 1HB LYS 50 -17.893 6.199 -0.872 850 1HG LYS 50 2HG LYS 50 -18.170 7.012 -3.048 851 2HG LYS 50 1HG LYS 50 -16.433 7.105 -3.343 852 1HD LYS 50 2HD LYS 50 -17.325 5.228 -4.605 853 2HD LYS 50 1HD LYS 50 -16.343 4.597 -3.287 854 1HE LYS 50 2HE LYS 50 -18.513 4.377 -1.939 855 2HE LYS 50 1HE LYS 50 -19.371 4.688 -3.462 856 1HZ LYS 50 3HZ LYS 50 -17.261 2.610 -3.149 857 2HZ LYS 50 2HZ LYS 50 -18.922 2.286 -3.022 858 3HZ LYS 50 1HZ LYS 50 -18.277 2.847 -4.488 859 H LEU 51 H LEU 51 -14.892 6.372 0.804 860 HA LEU 51 HA LEU 51 -16.445 6.663 3.218 861 1HB LEU 51 2HB LEU 51 -14.895 4.808 2.756 862 2HB LEU 51 1HB LEU 51 -13.532 5.924 2.725 863 HG LEU 51 HG LEU 51 -13.742 6.378 5.077 864 1HD1 LEU 51 2HD1 LEU 51 -16.362 4.847 4.928 865 2HD1 LEU 51 1HD1 LEU 51 -15.602 5.369 6.432 866 3HD1 LEU 51 3HD1 LEU 51 -16.170 6.569 5.268 867 1HD2 LEU 51 1HD2 LEU 51 -13.991 3.496 4.265 868 2HD2 LEU 51 3HD2 LEU 51 -12.592 4.353 4.906 869 3HD2 LEU 51 2HD2 LEU 51 -13.916 3.904 5.977 870 H ASN 52 H ASN 52 -13.618 8.440 1.910 871 HA ASN 52 HA ASN 52 -13.128 10.142 4.164 872 1HB ASN 52 2HB ASN 52 -11.530 10.923 2.751 873 2HB ASN 52 1HB ASN 52 -12.052 9.649 1.689 874 1HD2 ASN 52 1HD2 ASN 52 -11.353 10.881 -0.206 875 2HD2 ASN 52 2HD2 ASN 52 -12.255 12.210 -0.758 876 H ASP 53 H ASP 53 -15.406 10.334 1.444 877 HA ASP 53 HA ASP 53 -16.349 12.984 1.836 878 1HB ASP 53 2HB ASP 53 -16.659 11.351 -0.120 879 2HB ASP 53 1HB ASP 53 -17.957 10.625 0.823 880 H ALA 54 H ALA 54 -17.243 9.891 3.371 881 HA ALA 54 HA ALA 54 -19.710 10.742 4.610 882 1HB ALA 54 3HB ALA 54 -18.567 8.409 4.176 883 2HB ALA 54 2HB ALA 54 -17.831 8.686 5.757 884 3HB ALA 54 1HB ALA 54 -19.588 8.618 5.601 885 H GLN 55 H GLN 55 -16.304 10.848 5.635 886 HA GLN 55 HA GLN 55 -16.892 11.877 8.326 887 1HB GLN 55 2HB GLN 55 -14.429 11.387 6.633 888 2HB GLN 55 1HB GLN 55 -14.322 12.028 8.261 889 1HG GLN 55 2HG GLN 55 -15.370 10.054 9.189 890 2HG GLN 55 1HG GLN 55 -15.724 9.433 7.573 891 1HE2 GLN 55 1HE2 GLN 55 -13.431 9.674 6.170 892 2HE2 GLN 55 2HE2 GLN 55 -12.135 8.870 6.931 893 H ALA 56 H ALA 56 -15.769 13.152 5.190 894 HA ALA 56 HA ALA 56 -16.385 15.939 6.047 895 1HB ALA 56 1HB ALA 56 -14.147 15.903 6.672 896 2HB ALA 56 2HB ALA 56 -13.976 16.343 4.971 897 3HB ALA 56 3HB ALA 56 -13.744 14.667 5.478 898 HA PRO 57 HA PRO 57 -17.567 16.157 1.748 899 1HB PRO 57 2HB PRO 57 -17.337 18.845 1.283 900 2HB PRO 57 1HB PRO 57 -18.663 18.138 2.230 901 1HG PRO 57 2HG PRO 57 -16.174 19.474 3.162 902 2HG PRO 57 1HG PRO 57 -17.823 19.597 3.795 903 1HD PRO 57 1HD PRO 57 -15.893 18.078 4.959 904 2HD PRO 57 2HD PRO 57 -17.626 17.682 5.047 905 H LYS 58 H LYS 58 -16.506 16.096 -0.267 906 HA LYS 58 HA LYS 58 -13.593 16.118 -0.300 907 1HB LYS 58 2HB LYS 58 -15.739 15.834 -2.427 908 2HB LYS 58 1HB LYS 58 -14.018 15.694 -2.783 909 1HG LYS 58 2HG LYS 58 -13.845 13.864 -1.104 910 2HG LYS 58 1HG LYS 58 -15.583 13.973 -0.834 911 1HD LYS 58 2HD LYS 58 -15.921 13.539 -3.295 912 2HD LYS 58 1HD LYS 58 -14.188 13.238 -3.423 913 1HE LYS 58 2HE LYS 58 -14.561 11.092 -2.792 914 2HE LYS 58 1HE LYS 58 -15.122 11.688 -1.219 915 1HZ LYS 58 3HZ LYS 58 -17.307 12.131 -2.283 916 2HZ LYS 58 2HZ LYS 58 -16.747 11.353 -3.688 917 3HZ LYS 58 1HZ LYS 58 -16.905 10.485 -2.237 No H/Q in entry = 917 Start of MODEL 6 1 H1 VAL 1 1H VAL 1 4.071 -23.392 13.345 2 H2 VAL 1 3H VAL 1 5.282 -23.655 14.507 3 H3 VAL 1 2H VAL 1 3.803 -22.964 14.965 4 HA VAL 1 HA VAL 1 5.328 -21.174 14.885 5 HB VAL 1 HB VAL 1 6.614 -20.820 12.690 6 1HG1 VAL 1 1HG1 VAL 1 7.557 -21.752 14.850 7 2HG1 VAL 1 3HG1 VAL 1 7.330 -23.362 14.167 8 3HG1 VAL 1 2HG1 VAL 1 8.425 -22.219 13.389 9 1HG2 VAL 1 1HG2 VAL 1 5.197 -22.476 11.381 10 2HG2 VAL 1 3HG2 VAL 1 6.939 -22.693 11.212 11 3HG2 VAL 1 2HG2 VAL 1 6.015 -23.765 12.264 12 H ASP 2 H ASP 2 4.575 -19.145 14.239 13 HA ASP 2 HA ASP 2 2.032 -19.062 12.768 14 1HB ASP 2 2HB ASP 2 2.511 -17.739 14.826 15 2HB ASP 2 1HB ASP 2 3.770 -16.866 13.954 16 H ASN 3 H ASN 3 1.763 -18.432 10.649 17 HA ASN 3 HA ASN 3 4.166 -17.870 9.006 18 1HB ASN 3 2HB ASN 3 1.223 -18.374 8.447 19 2HB ASN 3 1HB ASN 3 2.373 -17.980 7.170 20 1HD2 ASN 3 1HD2 ASN 3 1.168 -20.561 9.153 21 2HD2 ASN 3 2HD2 ASN 3 2.281 -21.742 8.656 22 H LYS 4 H LYS 4 4.558 -15.767 10.081 23 HA LYS 4 HA LYS 4 2.764 -13.551 10.108 24 1HB LYS 4 2HB LYS 4 4.828 -12.222 10.419 25 2HB LYS 4 1HB LYS 4 4.858 -13.684 11.402 26 1HG LYS 4 2HG LYS 4 6.260 -14.786 9.641 27 2HG LYS 4 1HG LYS 4 6.280 -13.267 8.748 28 1HD LYS 4 2HD LYS 4 7.104 -13.223 11.626 29 2HD LYS 4 1HD LYS 4 8.234 -13.881 10.443 30 1HE LYS 4 2HE LYS 4 8.427 -11.833 9.292 31 2HE LYS 4 1HE LYS 4 6.900 -11.218 9.947 32 1HZ LYS 4 2HZ LYS 4 7.882 -11.203 12.158 33 2HZ LYS 4 1HZ LYS 4 9.354 -11.783 11.534 34 3HZ LYS 4 3HZ LYS 4 8.796 -10.242 11.099 35 H PHE 5 H PHE 5 4.912 -14.698 7.516 36 HA PHE 5 HA PHE 5 5.088 -12.495 5.833 37 1HB PHE 5 2HB PHE 5 4.740 -15.428 5.180 38 2HB PHE 5 1HB PHE 5 5.235 -14.224 3.997 39 HD1 PHE 5 HD1 PHE 5 6.975 -16.502 4.502 40 HD2 PHE 5 HD2 PHE 5 6.746 -12.771 6.645 41 HE1 PHE 5 HE1 PHE 5 9.328 -16.767 5.235 42 HE2 PHE 5 HE2 PHE 5 9.099 -13.044 7.360 43 HZ PHE 5 HZ PHE 5 10.387 -15.039 6.661 44 H ASN 6 H ASN 6 2.176 -14.501 6.298 45 HA ASN 6 HA ASN 6 0.689 -13.781 3.984 46 1HB ASN 6 2HB ASN 6 -0.101 -14.316 6.865 47 2HB ASN 6 1HB ASN 6 -1.291 -14.115 5.581 48 1HD2 ASN 6 1HD2 ASN 6 -0.863 -15.644 3.577 49 2HD2 ASN 6 2HD2 ASN 6 -0.342 -17.218 3.943 50 H LYS 7 H LYS 7 0.771 -12.062 7.178 51 HA LYS 7 HA LYS 7 -0.531 -9.709 5.911 52 1HB LYS 7 2HB LYS 7 -1.482 -10.259 7.992 53 2HB LYS 7 1HB LYS 7 0.113 -10.498 8.750 54 1HG LYS 7 2HG LYS 7 0.517 -8.021 8.362 55 2HG LYS 7 1HG LYS 7 -1.172 -7.901 7.869 56 1HD LYS 7 2HD LYS 7 -1.934 -8.605 10.000 57 2HD LYS 7 1HD LYS 7 -0.301 -9.086 10.487 58 1HE LYS 7 2HE LYS 7 -0.848 -6.215 9.710 59 2HE LYS 7 1HE LYS 7 -1.241 -6.779 11.345 60 1HZ LYS 7 3HZ LYS 7 1.023 -7.648 11.546 61 2HZ LYS 7 2HZ LYS 7 1.402 -7.060 9.997 62 3HZ LYS 7 1HZ LYS 7 1.040 -5.978 11.252 63 H GLU 8 H GLU 8 2.707 -10.715 6.877 64 HA GLU 8 HA GLU 8 3.915 -8.178 7.350 65 1HB GLU 8 2HB GLU 8 4.939 -10.730 6.078 66 2HB GLU 8 1HB GLU 8 5.972 -9.330 6.346 67 1HG GLU 8 2HG GLU 8 4.387 -10.703 8.532 68 2HG GLU 8 1HG GLU 8 6.093 -11.019 8.183 69 H GLN 9 H GLN 9 3.091 -9.897 4.351 70 HA GLN 9 HA GLN 9 4.193 -7.996 2.513 71 1HB GLN 9 2HB GLN 9 1.873 -9.938 2.318 72 2HB GLN 9 1HB GLN 9 2.558 -9.081 0.944 73 1HG GLN 9 2HG GLN 9 4.697 -10.193 1.257 74 2HG GLN 9 1HG GLN 9 4.098 -10.998 2.708 75 1HE2 GLN 9 1HE2 GLN 9 2.411 -12.678 2.419 76 2HE2 GLN 9 2HE2 GLN 9 2.156 -13.386 0.898 77 H GLN 10 H GLN 10 1.055 -8.420 4.101 78 HA GLN 10 HA GLN 10 -0.467 -6.270 2.954 79 1HB GLN 10 2HB GLN 10 -0.681 -8.319 4.891 80 2HB GLN 10 1HB GLN 10 -1.035 -6.831 5.734 81 1HG GLN 10 2HG GLN 10 -3.133 -7.188 4.937 82 2HG GLN 10 1HG GLN 10 -2.485 -6.444 3.486 83 1HE2 GLN 10 1HE2 GLN 10 -4.119 -7.820 2.265 84 2HE2 GLN 10 2HE2 GLN 10 -3.768 -9.455 1.979 85 H ASN 11 H ASN 11 1.475 -6.438 5.951 86 HA ASN 11 HA ASN 11 1.096 -3.661 6.693 87 1HB ASN 11 2HB ASN 11 1.761 -5.755 8.098 88 2HB ASN 11 1HB ASN 11 3.400 -5.460 7.511 89 1HD2 ASN 11 1HD2 ASN 11 4.592 -3.763 8.508 90 2HD2 ASN 11 2HD2 ASN 11 3.946 -2.732 9.692 91 H ALA 12 H ALA 12 3.764 -5.466 5.100 92 HA ALA 12 HA ALA 12 5.571 -3.253 4.806 93 1HB ALA 12 3HB ALA 12 5.135 -5.897 3.412 94 2HB ALA 12 1HB ALA 12 6.457 -5.421 4.486 95 3HB ALA 12 2HB ALA 12 6.372 -4.765 2.847 96 H PHE 13 H PHE 13 3.023 -4.589 2.684 97 HA PHE 13 HA PHE 13 3.324 -2.846 0.426 98 1HB PHE 13 2HB PHE 13 1.884 -4.807 0.334 99 2HB PHE 13 1HB PHE 13 0.968 -4.273 1.735 100 HD1 PHE 13 HD1 PHE 13 -1.184 -3.559 1.195 101 HD2 PHE 13 HD2 PHE 13 2.053 -2.693 -1.464 102 HE1 PHE 13 HE1 PHE 13 -2.756 -2.462 -0.350 103 HE2 PHE 13 HE2 PHE 13 0.484 -1.587 -3.017 104 HZ PHE 13 HZ PHE 13 -1.923 -1.483 -2.449 105 H TYR 14 H TYR 14 1.099 -2.697 3.178 106 HA TYR 14 HA TYR 14 -0.082 -0.184 2.865 107 1HB TYR 14 2HB TYR 14 -0.683 -1.931 4.449 108 2HB TYR 14 1HB TYR 14 0.838 -1.726 5.303 109 HD1 TYR 14 HD1 TYR 14 1.104 -0.087 6.956 110 HD2 TYR 14 HD2 TYR 14 -2.336 0.003 4.384 111 HE1 TYR 14 HE1 TYR 14 0.063 1.623 8.409 112 HE2 TYR 14 HE2 TYR 14 -3.375 1.670 5.818 113 HH TYR 14 HH TYR 14 -1.818 3.548 7.902 114 H GLU 15 H GLU 15 2.815 -0.919 4.878 115 HA GLU 15 HA GLU 15 3.497 1.769 5.516 116 1HB GLU 15 2HB GLU 15 5.110 -0.785 5.293 117 2HB GLU 15 1HB GLU 15 5.754 0.708 5.971 118 1HG GLU 15 2HG GLU 15 3.289 -0.736 7.009 119 2HG GLU 15 1HG GLU 15 4.888 -0.827 7.738 120 H ILE 16 H ILE 16 4.627 -0.305 2.754 121 HA ILE 16 HA ILE 16 6.484 1.526 1.578 122 HB ILE 16 HB ILE 16 4.733 -0.740 0.673 123 1HG1 ILE 16 2HG1 ILE 16 7.567 -0.413 -0.155 124 2HG1 ILE 16 1HG1 ILE 16 7.285 -0.498 1.581 125 1HG2 ILE 16 2HG2 ILE 16 6.015 1.182 -1.277 126 2HG2 ILE 16 1HG2 ILE 16 5.600 -0.485 -1.695 127 3HG2 ILE 16 3HG2 ILE 16 4.332 0.650 -1.223 128 1HD1 ILE 16 1HD1 ILE 16 5.792 -2.481 -0.018 129 2HD1 ILE 16 3HD1 ILE 16 7.562 -2.678 -0.018 130 3HD1 ILE 16 2HD1 ILE 16 6.674 -2.669 1.507 131 H LEU 17 H LEU 17 2.964 1.251 1.120 132 HA LEU 17 HA LEU 17 2.632 3.532 -0.653 133 1HB LEU 17 2HB LEU 17 0.736 2.164 1.293 134 2HB LEU 17 1HB LEU 17 0.238 3.272 0.026 135 HG LEU 17 HG LEU 17 1.942 1.091 -0.941 136 1HD1 LEU 17 3HD1 LEU 17 -0.010 0.386 0.938 137 2HD1 LEU 17 2HD1 LEU 17 -0.770 0.153 -0.652 138 3HD1 LEU 17 1HD1 LEU 17 0.739 -0.667 -0.269 139 1HD2 LEU 17 1HD2 LEU 17 0.411 2.810 -2.198 140 2HD2 LEU 17 3HD2 LEU 17 0.483 1.115 -2.736 141 3HD2 LEU 17 2HD2 LEU 17 -0.875 1.651 -1.722 142 H HIS 18 H HIS 18 2.419 3.177 2.918 143 HA HIS 18 HA HIS 18 1.517 5.891 3.408 144 1HB HIS 18 2HB HIS 18 2.555 3.604 5.078 145 2HB HIS 18 1HB HIS 18 2.282 5.183 5.805 146 HD1 HIS 18 HD1 HIS 18 -0.234 6.130 5.698 147 HD2 HIS 18 HD2 HIS 18 0.186 2.123 4.650 148 HE1 HIS 18 HE1 HIS 18 -2.552 5.027 5.631 149 H LEU 19 H LEU 19 4.772 4.493 3.036 150 HA LEU 19 HA LEU 19 6.330 6.275 4.592 151 1HB LEU 19 2HB LEU 19 6.814 4.839 1.974 152 2HB LEU 19 1HB LEU 19 8.075 5.811 2.723 153 HG LEU 19 HG LEU 19 6.643 3.552 4.155 154 1HD1 LEU 19 2HD1 LEU 19 9.239 3.573 2.599 155 2HD1 LEU 19 1HD1 LEU 19 8.790 2.292 3.726 156 3HD1 LEU 19 3HD1 LEU 19 7.820 2.583 2.283 157 1HD2 LEU 19 3HD2 LEU 19 7.941 5.482 5.397 158 2HD2 LEU 19 2HD2 LEU 19 8.218 3.804 5.877 159 3HD2 LEU 19 1HD2 LEU 19 9.371 4.625 4.828 160 HA PRO 20 HA PRO 20 5.245 10.133 2.582 161 1HB PRO 20 2HB PRO 20 6.995 11.714 3.983 162 2HB PRO 20 1HB PRO 20 5.444 11.144 4.629 163 1HG PRO 20 2HG PRO 20 8.185 10.028 5.045 164 2HG PRO 20 1HG PRO 20 6.893 10.311 6.227 165 1HD PRO 20 1HD PRO 20 7.369 7.869 5.249 166 2HD PRO 20 2HD PRO 20 5.717 8.420 5.599 167 H ASN 21 H ASN 21 8.489 8.699 2.489 168 HA ASN 21 HA ASN 21 9.249 10.684 0.375 169 1HB ASN 21 2HB ASN 21 10.871 8.963 2.264 170 2HB ASN 21 1HB ASN 21 11.585 9.941 0.982 171 1HD2 ASN 21 1HD2 ASN 21 10.708 10.034 4.257 172 2HD2 ASN 21 2HD2 ASN 21 10.649 11.718 4.450 173 H LEU 22 H LEU 22 7.803 7.756 0.417 174 HA LEU 22 HA LEU 22 9.563 6.413 -1.548 175 1HB LEU 22 2HB LEU 22 7.166 5.719 0.102 176 2HB LEU 22 1HB LEU 22 7.315 4.889 -1.439 177 HG LEU 22 HG LEU 22 8.860 4.527 1.049 178 1HD1 LEU 22 1HD1 LEU 22 8.319 2.901 -1.440 179 2HD1 LEU 22 3HD1 LEU 22 9.245 2.289 -0.064 180 3HD1 LEU 22 2HD1 LEU 22 7.546 2.729 0.137 181 1HD2 LEU 22 1HD2 LEU 22 10.311 4.509 -1.619 182 2HD2 LEU 22 3HD2 LEU 22 10.629 5.614 -0.264 183 3HD2 LEU 22 2HD2 LEU 22 10.953 3.881 -0.097 184 H ASN 23 H ASN 23 9.362 6.792 -3.637 185 HA ASN 23 HA ASN 23 6.996 8.288 -4.653 186 1HB ASN 23 2HB ASN 23 8.450 8.450 -6.743 187 2HB ASN 23 1HB ASN 23 9.085 9.235 -5.315 188 1HD2 ASN 23 1HD2 ASN 23 11.195 8.603 -4.656 189 2HD2 ASN 23 2HD2 ASN 23 12.023 7.266 -5.294 190 H GLU 24 H GLU 24 6.607 7.542 -7.129 191 HA GLU 24 HA GLU 24 5.272 4.992 -6.923 192 1HB GLU 24 2HB GLU 24 4.730 5.399 -9.305 193 2HB GLU 24 1HB GLU 24 4.509 6.859 -8.358 194 1HG GLU 24 2HG GLU 24 7.220 6.644 -9.467 195 2HG GLU 24 1HG GLU 24 5.978 6.645 -10.711 196 H GLU 25 H GLU 25 8.479 5.879 -8.271 197 HA GLU 25 HA GLU 25 8.962 3.357 -9.610 198 1HB GLU 25 2HB GLU 25 10.230 5.507 -9.913 199 2HB GLU 25 1HB GLU 25 10.928 5.281 -8.312 200 1HG GLU 25 2HG GLU 25 11.827 3.061 -9.087 201 2HG GLU 25 1HG GLU 25 11.272 3.465 -10.713 202 H GLN 26 H GLN 26 9.823 4.547 -6.335 203 HA GLN 26 HA GLN 26 10.984 2.036 -5.433 204 1HB GLN 26 2HB GLN 26 9.986 4.471 -3.929 205 2HB GLN 26 1HB GLN 26 11.018 3.212 -3.256 206 1HG GLN 26 2HG GLN 26 11.819 4.792 -5.715 207 2HG GLN 26 1HG GLN 26 12.188 5.350 -4.090 208 1HE2 GLN 26 1HE2 GLN 26 14.485 5.035 -4.157 209 2HE2 GLN 26 2HE2 GLN 26 15.200 3.507 -4.342 210 H ARG 27 H ARG 27 7.925 3.701 -4.532 211 HA ARG 27 HA ARG 27 6.884 1.636 -2.878 212 1HB ARG 27 2HB ARG 27 6.064 3.959 -2.963 213 2HB ARG 27 1HB ARG 27 5.468 3.702 -4.598 214 1HG ARG 27 2HG ARG 27 4.469 1.698 -2.743 215 2HG ARG 27 1HG ARG 27 4.018 3.331 -2.277 216 1HD ARG 27 2HD ARG 27 3.716 2.489 -5.141 217 2HD ARG 27 1HD ARG 27 2.481 2.028 -3.958 218 HE ARG 27 HE ARG 27 2.168 4.383 -3.450 219 1HH1 ARG 27 1HH1 ARG 27 1.637 4.337 -6.383 220 2HH1 ARG 27 2HH1 ARG 27 2.634 5.624 -6.967 221 1HH2 ARG 27 1HH2 ARG 27 4.550 5.813 -4.067 222 2HH2 ARG 27 2HH2 ARG 27 4.276 6.475 -5.642 223 H ASN 28 H ASN 28 6.159 2.246 -6.401 224 HA ASN 28 HA ASN 28 4.281 0.067 -6.659 225 1HB ASN 28 2HB ASN 28 6.015 1.324 -8.786 226 2HB ASN 28 1HB ASN 28 4.566 0.405 -9.079 227 1HD2 ASN 28 1HD2 ASN 28 4.426 2.804 -10.232 228 2HD2 ASN 28 2HD2 ASN 28 3.505 3.907 -9.330 229 H ALA 29 H ALA 29 7.803 0.297 -7.332 230 HA ALA 29 HA ALA 29 8.204 -2.355 -8.363 231 1HB ALA 29 3HB ALA 29 9.787 -0.377 -8.299 232 2HB ALA 29 1HB ALA 29 10.505 -1.921 -7.834 233 3HB ALA 29 2HB ALA 29 10.051 -0.752 -6.591 234 H PHE 30 H PHE 30 8.132 -1.046 -5.060 235 HA PHE 30 HA PHE 30 8.930 -3.399 -3.645 236 1HB PHE 30 2HB PHE 30 7.339 -0.913 -3.053 237 2HB PHE 30 1HB PHE 30 7.477 -2.182 -1.837 238 HD1 PHE 30 HD1 PHE 30 8.611 0.643 -1.612 239 HD2 PHE 30 HD2 PHE 30 10.355 -3.031 -2.982 240 HE1 PHE 30 HE1 PHE 30 10.851 1.442 -0.958 241 HE2 PHE 30 HE2 PHE 30 12.567 -2.239 -2.328 242 HZ PHE 30 HZ PHE 30 12.826 -0.047 -1.310 243 H ILE 31 H ILE 31 5.765 -2.172 -4.588 244 HA ILE 31 HA ILE 31 4.237 -4.314 -3.432 245 HB ILE 31 HB ILE 31 3.776 -2.331 -5.668 246 1HG1 ILE 31 2HG1 ILE 31 2.701 -2.367 -2.876 247 2HG1 ILE 31 1HG1 ILE 31 4.248 -1.634 -3.236 248 1HG2 ILE 31 1HG2 ILE 31 2.190 -4.599 -4.866 249 2HG2 ILE 31 3HG2 ILE 31 1.358 -3.093 -4.492 250 3HG2 ILE 31 2HG2 ILE 31 1.878 -3.423 -6.142 251 1HD1 ILE 31 1HD1 ILE 31 1.688 -0.904 -4.666 252 2HD1 ILE 31 3HD1 ILE 31 2.285 -0.063 -3.218 253 3HD1 ILE 31 2HD1 ILE 31 3.254 -0.045 -4.694 254 H GLN 32 H GLN 32 6.101 -4.029 -6.468 255 HA GLN 32 HA GLN 32 4.948 -6.433 -7.695 256 1HB GLN 32 2HB GLN 32 7.465 -4.792 -8.171 257 2HB GLN 32 1HB GLN 32 6.983 -6.147 -9.193 258 1HG GLN 32 2HG GLN 32 4.843 -5.022 -9.685 259 2HG GLN 32 1HG GLN 32 5.311 -3.672 -8.661 260 1HE2 GLN 32 1HE2 GLN 32 5.948 -5.253 -11.775 261 2HE2 GLN 32 2HE2 GLN 32 6.894 -3.996 -12.411 262 H SER 33 H SER 33 8.031 -5.698 -5.968 263 HA SER 33 HA SER 33 9.019 -8.417 -5.835 264 1HB SER 33 2HB SER 33 10.494 -7.374 -4.065 265 2HB SER 33 1HB SER 33 10.512 -6.561 -5.626 266 HG SER 33 HG SER 33 10.073 -4.897 -4.387 267 H LEU 34 H LEU 34 6.873 -6.530 -3.806 268 HA LEU 34 HA LEU 34 6.860 -8.320 -1.504 269 1HB LEU 34 2HB LEU 34 6.560 -5.850 -1.514 270 2HB LEU 34 1HB LEU 34 5.062 -6.047 -2.410 271 HG LEU 34 HG LEU 34 4.244 -7.456 -0.448 272 1HD1 LEU 34 2HD1 LEU 34 6.781 -6.307 0.689 273 2HD1 LEU 34 1HD1 LEU 34 5.429 -6.813 1.702 274 3HD1 LEU 34 3HD1 LEU 34 6.251 -7.991 0.678 275 1HD2 LEU 34 2HD2 LEU 34 3.804 -4.958 -0.959 276 2HD2 LEU 34 1HD2 LEU 34 3.485 -5.529 0.673 277 3HD2 LEU 34 3HD2 LEU 34 4.963 -4.638 0.331 278 H LYS 35 H LYS 35 4.507 -7.619 -4.170 279 HA LYS 35 HA LYS 35 2.522 -9.535 -3.299 280 1HB LYS 35 2HB LYS 35 3.070 -7.872 -5.725 281 2HB LYS 35 1HB LYS 35 1.990 -9.212 -5.944 282 1HG LYS 35 2HG LYS 35 1.065 -8.120 -3.607 283 2HG LYS 35 1HG LYS 35 1.515 -6.713 -4.573 284 1HD LYS 35 2HD LYS 35 -0.066 -7.136 -6.183 285 2HD LYS 35 1HD LYS 35 0.022 -8.885 -5.964 286 1HE LYS 35 2HE LYS 35 -0.964 -7.597 -3.545 287 2HE LYS 35 1HE LYS 35 -1.968 -7.179 -4.944 288 1HZ LYS 35 2HZ LYS 35 -1.103 -9.937 -4.225 289 2HZ LYS 35 1HZ LYS 35 -2.651 -9.296 -3.941 290 3HZ LYS 35 3HZ LYS 35 -2.105 -9.512 -5.532 291 H ASP 36 H ASP 36 5.398 -9.809 -5.374 292 HA ASP 36 HA ASP 36 4.754 -12.556 -6.230 293 1HB ASP 36 2HB ASP 36 6.980 -10.568 -6.647 294 2HB ASP 36 1HB ASP 36 7.209 -12.251 -7.114 295 H ASP 37 H ASP 37 7.016 -11.021 -3.870 296 HA ASP 37 HA ASP 37 7.749 -13.777 -2.921 297 1HB ASP 37 2HB ASP 37 9.450 -12.090 -3.968 298 2HB ASP 37 1HB ASP 37 9.362 -11.290 -2.400 299 HA PRO 38 HA PRO 38 5.472 -12.332 0.723 300 1HB PRO 38 2HB PRO 38 5.305 -14.784 1.916 301 2HB PRO 38 1HB PRO 38 4.243 -14.279 0.587 302 1HG PRO 38 2HG PRO 38 6.674 -15.992 0.499 303 2HG PRO 38 1HG PRO 38 5.120 -16.191 -0.327 304 1HD PRO 38 1HD PRO 38 7.310 -15.194 -1.556 305 2HD PRO 38 2HD PRO 38 5.653 -14.711 -1.979 306 H SER 39 H SER 39 8.301 -14.567 0.939 307 HA SER 39 HA SER 39 8.902 -14.021 3.702 308 1HB SER 39 2HB SER 39 10.922 -15.258 3.246 309 2HB SER 39 1HB SER 39 9.635 -15.987 2.297 310 HG SER 39 HG SER 39 10.446 -15.037 0.479 311 H GLN 40 H GLN 40 9.853 -12.323 0.732 312 HA GLN 40 HA GLN 40 11.908 -10.698 2.081 313 1HB GLN 40 2HB GLN 40 10.897 -11.238 -0.623 314 2HB GLN 40 1HB GLN 40 11.278 -9.538 -0.372 315 1HG GLN 40 2HG GLN 40 13.300 -10.505 -1.124 316 2HG GLN 40 1HG GLN 40 13.503 -10.344 0.618 317 1HE2 GLN 40 1HE2 GLN 40 13.186 -12.672 -2.013 318 2HE2 GLN 40 2HE2 GLN 40 13.420 -14.058 -1.062 319 H SER 41 H SER 41 8.508 -10.534 2.122 320 HA SER 41 HA SER 41 7.893 -7.851 1.563 321 1HB SER 41 2HB SER 41 5.930 -8.277 3.019 322 2HB SER 41 1HB SER 41 6.277 -9.674 2.010 323 HG SER 41 HG SER 41 6.675 -10.786 3.753 324 H ALA 42 H ALA 42 8.913 -9.121 4.831 325 HA ALA 42 HA ALA 42 8.740 -6.568 6.160 326 1HB ALA 42 3HB ALA 42 10.649 -8.875 6.541 327 2HB ALA 42 1HB ALA 42 9.065 -8.711 7.308 328 3HB ALA 42 2HB ALA 42 10.364 -7.582 7.708 329 H ASN 43 H ASN 43 11.489 -8.196 4.519 330 HA ASN 43 HA ASN 43 13.492 -6.189 4.831 331 1HB ASN 43 2HB ASN 43 12.919 -8.511 3.133 332 2HB ASN 43 1HB ASN 43 13.832 -7.252 2.288 333 1HD2 ASN 43 1HD2 ASN 43 13.933 -8.479 5.715 334 2HD2 ASN 43 2HD2 ASN 43 15.606 -8.761 5.707 335 H LEU 44 H LEU 44 10.876 -6.625 2.469 336 HA LEU 44 HA LEU 44 11.578 -4.486 0.699 337 1HB LEU 44 2HB LEU 44 9.094 -6.039 1.328 338 2HB LEU 44 1HB LEU 44 9.075 -4.728 0.142 339 HG LEU 44 HG LEU 44 11.079 -6.978 0.120 340 1HD1 LEU 44 2HD1 LEU 44 8.449 -7.313 -0.315 341 2HD1 LEU 44 1HD1 LEU 44 8.956 -6.808 -1.930 342 3HD1 LEU 44 3HD1 LEU 44 9.697 -8.226 -1.175 343 1HD2 LEU 44 3HD2 LEU 44 10.872 -4.411 -1.154 344 2HD2 LEU 44 2HD2 LEU 44 12.113 -5.660 -1.351 345 3HD2 LEU 44 1HD2 LEU 44 10.672 -5.690 -2.388 346 H LEU 45 H LEU 45 9.452 -4.645 3.557 347 HA LEU 45 HA LEU 45 8.761 -1.816 3.303 348 1HB LEU 45 2HB LEU 45 7.345 -3.218 4.587 349 2HB LEU 45 1HB LEU 45 8.683 -3.810 5.567 350 HG LEU 45 HG LEU 45 8.979 -1.658 6.591 351 1HD1 LEU 45 3HD1 LEU 45 6.950 -0.699 4.544 352 2HD1 LEU 45 2HD1 LEU 45 7.424 0.255 5.947 353 3HD1 LEU 45 1HD1 LEU 45 8.624 -0.156 4.723 354 1HD2 LEU 45 3HD2 LEU 45 7.160 -3.150 7.396 355 2HD2 LEU 45 2HD2 LEU 45 6.877 -1.445 7.757 356 3HD2 LEU 45 1HD2 LEU 45 6.016 -2.223 6.427 357 H ALA 46 H ALA 46 11.237 -3.684 5.117 358 HA ALA 46 HA ALA 46 12.521 -1.525 6.512 359 1HB ALA 46 3HB ALA 46 13.373 -4.147 5.274 360 2HB ALA 46 2HB ALA 46 14.583 -3.070 5.983 361 3HB ALA 46 1HB ALA 46 13.273 -3.711 6.986 362 H GLU 47 H GLU 47 13.187 -2.814 3.196 363 HA GLU 47 HA GLU 47 15.204 -0.828 2.640 364 1HB GLU 47 2HB GLU 47 15.036 -1.666 0.315 365 2HB GLU 47 1HB GLU 47 15.199 -2.971 1.475 366 1HG GLU 47 2HG GLU 47 12.689 -3.167 1.359 367 2HG GLU 47 1HG GLU 47 12.782 -2.105 -0.045 368 H ALA 48 H ALA 48 11.646 -1.023 2.094 369 HA ALA 48 HA ALA 48 11.440 1.414 0.586 370 1HB ALA 48 2HB ALA 48 9.766 -0.408 0.908 371 2HB ALA 48 1HB ALA 48 9.580 0.113 2.590 372 3HB ALA 48 3HB ALA 48 9.105 1.184 1.264 373 H LYS 49 H LYS 49 11.496 0.682 4.079 374 HA LYS 49 HA LYS 49 10.963 3.395 4.974 375 1HB LYS 49 2HB LYS 49 11.596 0.711 6.034 376 2HB LYS 49 1HB LYS 49 12.143 2.029 7.057 377 1HG LYS 49 2HG LYS 49 9.995 2.815 7.429 378 2HG LYS 49 1HG LYS 49 9.408 2.236 5.871 379 1HD LYS 49 2HD LYS 49 8.405 0.752 7.351 380 2HD LYS 49 1HD LYS 49 9.858 -0.126 6.865 381 1HE LYS 49 2HE LYS 49 11.011 0.532 8.874 382 2HE LYS 49 1HE LYS 49 9.702 1.649 9.312 383 1HZ LYS 49 3HZ LYS 49 8.171 -0.229 9.409 384 2HZ LYS 49 2HZ LYS 49 9.426 -1.304 8.997 385 3HZ LYS 49 1HZ LYS 49 9.464 -0.476 10.479 386 H LYS 50 H LYS 50 13.742 1.374 4.310 387 HA LYS 50 HA LYS 50 15.908 3.038 5.183 388 1HB LYS 50 2HB LYS 50 16.348 0.760 4.706 389 2HB LYS 50 1HB LYS 50 15.361 0.792 3.262 390 1HG LYS 50 2HG LYS 50 17.270 2.447 2.409 391 2HG LYS 50 1HG LYS 50 18.219 1.558 3.602 392 1HD LYS 50 2HD LYS 50 16.478 0.142 1.552 393 2HD LYS 50 1HD LYS 50 18.164 0.568 1.225 394 1HE LYS 50 2HE LYS 50 18.826 -0.709 3.306 395 2HE LYS 50 1HE LYS 50 17.140 -1.251 3.441 396 1HZ LYS 50 3HZ LYS 50 17.293 -2.098 1.155 397 2HZ LYS 50 2HZ LYS 50 18.930 -1.644 1.089 398 3HZ LYS 50 1HZ LYS 50 18.422 -2.850 2.171 399 H LEU 51 H LEU 51 13.981 2.783 2.193 400 HA LEU 51 HA LEU 51 15.423 4.788 0.650 401 1HB LEU 51 2HB LEU 51 12.992 3.102 0.504 402 2HB LEU 51 1HB LEU 51 12.866 4.623 -0.365 403 HG LEU 51 HG LEU 51 14.491 4.043 -1.891 404 1HD1 LEU 51 2HD1 LEU 51 15.639 2.400 0.339 405 2HD1 LEU 51 1HD1 LEU 51 16.063 2.007 -1.328 406 3HD1 LEU 51 3HD1 LEU 51 16.433 3.609 -0.677 407 1HD2 LEU 51 1HD2 LEU 51 13.019 1.647 -0.904 408 2HD2 LEU 51 3HD2 LEU 51 12.898 2.475 -2.458 409 3HD2 LEU 51 2HD2 LEU 51 14.268 1.410 -2.131 410 H ASN 52 H ASN 52 12.575 4.769 2.760 411 HA ASN 52 HA ASN 52 11.535 7.349 2.269 412 1HB ASN 52 2HB ASN 52 10.552 5.444 3.589 413 2HB ASN 52 1HB ASN 52 11.665 5.840 4.896 414 1HD2 ASN 52 1HD2 ASN 52 11.056 7.504 6.313 415 2HD2 ASN 52 2HD2 ASN 52 9.705 8.508 6.077 416 H ASP 53 H ASP 53 14.069 6.287 4.569 417 HA ASP 53 HA ASP 53 14.553 9.006 5.591 418 1HB ASP 53 2HB ASP 53 16.097 6.406 5.884 419 2HB ASP 53 1HB ASP 53 16.357 7.861 6.842 420 H ALA 54 H ALA 54 16.189 6.783 3.307 421 HA ALA 54 HA ALA 54 18.530 8.421 2.845 422 1HB ALA 54 3HB ALA 54 17.158 6.349 1.095 423 2HB ALA 54 2HB ALA 54 18.829 6.889 0.932 424 3HB ALA 54 1HB ALA 54 18.328 5.991 2.364 425 H GLN 55 H GLN 55 15.441 8.057 1.068 426 HA GLN 55 HA GLN 55 16.066 10.157 -0.882 427 1HB GLN 55 2HB GLN 55 13.518 8.669 -0.191 428 2HB GLN 55 1HB GLN 55 13.728 9.707 -1.598 429 1HG GLN 55 2HG GLN 55 15.579 8.232 -2.385 430 2HG GLN 55 1HG GLN 55 15.291 7.161 -1.008 431 1HE2 GLN 55 1HE2 GLN 55 12.625 6.815 -0.851 432 2HE2 GLN 55 2HE2 GLN 55 11.964 6.251 -2.308 433 H ALA 56 H ALA 56 14.932 10.187 2.378 434 HA ALA 56 HA ALA 56 12.990 12.275 2.369 435 1HB ALA 56 2HB ALA 56 14.479 12.484 4.738 436 2HB ALA 56 1HB ALA 56 13.026 11.518 4.494 437 3HB ALA 56 3HB ALA 56 14.614 10.786 4.268 438 HA PRO 57 HA PRO 57 15.310 15.916 1.684 439 1HB PRO 57 2HB PRO 57 13.812 17.728 3.084 440 2HB PRO 57 1HB PRO 57 13.286 17.018 1.545 441 1HG PRO 57 2HG PRO 57 12.501 16.293 4.323 442 2HG PRO 57 1HG PRO 57 11.509 16.393 2.860 443 1HD PRO 57 1HD PRO 57 12.427 14.052 3.897 444 2HD PRO 57 2HD PRO 57 12.087 14.292 2.169 445 H LYS 58 H LYS 58 16.864 17.291 2.719 446 HA LYS 58 HA LYS 58 17.825 16.367 5.340 447 1HB LYS 58 2HB LYS 58 19.242 16.959 3.325 448 2HB LYS 58 1HB LYS 58 18.798 18.645 3.580 449 1HG LYS 58 2HG LYS 58 19.619 18.040 6.080 450 2HG LYS 58 1HG LYS 58 20.610 16.897 5.175 451 1HD LYS 58 2HD LYS 58 22.033 18.660 4.950 452 2HD LYS 58 1HD LYS 58 20.932 19.154 3.666 453 1HE LYS 58 2HE LYS 58 20.298 19.976 6.492 454 2HE LYS 58 1HE LYS 58 21.544 20.863 5.600 455 1HZ LYS 58 1HZ LYS 58 19.908 21.013 3.724 456 2HZ LYS 58 3HZ LYS 58 18.723 20.403 4.775 457 3HZ LYS 58 2HZ LYS 58 19.469 21.890 5.110 458 H1 VAL 1 3H VAL 1 8.816 -12.255 -12.542 459 H2 VAL 1 2H VAL 1 10.048 -11.712 -13.582 460 H3 VAL 1 1H VAL 1 9.514 -10.729 -12.305 461 HA VAL 1 HA VAL 1 8.582 -9.897 -14.348 462 HB VAL 1 HB VAL 1 8.885 -12.203 -15.410 463 1HG1 VAL 1 2HG1 VAL 1 7.561 -13.442 -13.660 464 2HG1 VAL 1 1HG1 VAL 1 6.101 -12.693 -14.306 465 3HG1 VAL 1 3HG1 VAL 1 7.053 -13.784 -15.312 466 1HG2 VAL 1 3HG2 VAL 1 7.735 -10.281 -16.522 467 2HG2 VAL 1 2HG2 VAL 1 7.105 -11.847 -17.035 468 3HG2 VAL 1 1HG2 VAL 1 6.202 -10.868 -15.878 469 H ASP 2 H ASP 2 6.442 -8.978 -14.361 470 HA ASP 2 HA ASP 2 4.984 -9.258 -11.805 471 1HB ASP 2 2HB ASP 2 5.574 -7.085 -13.035 472 2HB ASP 2 1HB ASP 2 4.343 -7.522 -14.214 473 H ASN 3 H ASN 3 3.491 -10.883 -11.659 474 HA ASN 3 HA ASN 3 1.707 -11.408 -14.010 475 1HB ASN 3 2HB ASN 3 1.731 -13.809 -13.277 476 2HB ASN 3 1HB ASN 3 3.326 -13.229 -13.745 477 1HD2 ASN 3 1HD2 ASN 3 4.978 -13.171 -12.112 478 2HD2 ASN 3 2HD2 ASN 3 4.720 -13.702 -10.520 479 H LYS 4 H LYS 4 1.301 -9.595 -11.781 480 HA LYS 4 HA LYS 4 -1.290 -10.641 -10.737 481 1HB LYS 4 2HB LYS 4 1.158 -9.781 -9.181 482 2HB LYS 4 1HB LYS 4 -0.445 -9.640 -8.463 483 1HG LYS 4 2HG LYS 4 -0.832 -12.024 -8.718 484 2HG LYS 4 1HG LYS 4 0.678 -12.214 -9.609 485 1HD LYS 4 2HD LYS 4 0.680 -11.056 -6.827 486 2HD LYS 4 1HD LYS 4 0.672 -12.803 -7.075 487 1HE LYS 4 2HE LYS 4 2.653 -11.343 -8.732 488 2HE LYS 4 1HE LYS 4 2.964 -11.303 -6.991 489 1HZ LYS 4 3HZ LYS 4 2.323 -13.771 -8.528 490 2HZ LYS 4 2HZ LYS 4 3.891 -13.300 -8.080 491 3HZ LYS 4 1HZ LYS 4 2.748 -13.684 -6.885 492 H PHE 5 H PHE 5 -2.105 -8.560 -9.192 493 HA PHE 5 HA PHE 5 -2.178 -6.250 -11.049 494 1HB PHE 5 2HB PHE 5 -3.679 -7.043 -8.534 495 2HB PHE 5 1HB PHE 5 -4.006 -5.587 -9.439 496 HD1 PHE 5 HD1 PHE 5 -3.484 -6.982 -12.242 497 HD2 PHE 5 HD2 PHE 5 -5.903 -7.949 -8.822 498 HE1 PHE 5 HE1 PHE 5 -5.034 -8.257 -13.692 499 HE2 PHE 5 HE2 PHE 5 -7.445 -9.224 -10.277 500 HZ PHE 5 HZ PHE 5 -7.013 -9.380 -12.711 501 H ASN 6 H ASN 6 0.368 -6.524 -9.834 502 HA ASN 6 HA ASN 6 0.668 -5.091 -7.350 503 1HB ASN 6 2HB ASN 6 2.706 -5.276 -9.580 504 2HB ASN 6 1HB ASN 6 3.014 -5.113 -7.855 505 1HD2 ASN 6 1HD2 ASN 6 4.140 -7.259 -9.467 506 2HD2 ASN 6 2HD2 ASN 6 3.486 -8.719 -8.903 507 H LYS 7 H LYS 7 0.813 -4.104 -10.731 508 HA LYS 7 HA LYS 7 1.496 -1.342 -10.401 509 1HB LYS 7 2HB LYS 7 1.440 -2.751 -12.522 510 2HB LYS 7 1HB LYS 7 -0.320 -2.596 -12.482 511 1HG LYS 7 2HG LYS 7 -0.079 -0.120 -12.554 512 2HG LYS 7 1HG LYS 7 1.672 -0.310 -12.666 513 1HD LYS 7 2HD LYS 7 1.338 -1.665 -14.748 514 2HD LYS 7 1HD LYS 7 -0.386 -1.304 -14.663 515 1HE LYS 7 2HE LYS 7 1.536 1.003 -14.552 516 2HE LYS 7 1HE LYS 7 1.237 0.230 -16.118 517 1HZ LYS 7 3HZ LYS 7 -0.873 1.202 -14.251 518 2HZ LYS 7 2HZ LYS 7 -0.383 1.988 -15.675 519 3HZ LYS 7 1HZ LYS 7 -1.142 0.471 -15.760 520 H GLU 8 H GLU 8 -1.539 -3.080 -10.157 521 HA GLU 8 HA GLU 8 -3.295 -0.809 -10.071 522 1HB GLU 8 2HB GLU 8 -3.370 -3.719 -9.682 523 2HB GLU 8 1HB GLU 8 -4.536 -2.860 -8.678 524 1HG GLU 8 2HG GLU 8 -5.640 -1.938 -10.534 525 2HG GLU 8 1HG GLU 8 -4.264 -2.208 -11.603 526 H LEU 9 H LEU 9 -1.434 -2.490 -7.563 527 HA LEU 9 HA LEU 9 -2.739 -1.056 -5.369 528 1HB LEU 9 2HB LEU 9 0.023 -2.240 -5.196 529 2HB LEU 9 1HB LEU 9 -1.182 -2.063 -3.972 530 HG LEU 9 HG LEU 9 -1.757 -3.856 -6.292 531 1HD1 LEU 9 1HD1 LEU 9 0.190 -4.242 -4.097 532 2HD1 LEU 9 3HD1 LEU 9 -0.974 -5.554 -4.271 533 3HD1 LEU 9 2HD1 LEU 9 0.066 -5.113 -5.630 534 1HD2 LEU 9 1HD2 LEU 9 -2.666 -3.672 -3.399 535 2HD2 LEU 9 3HD2 LEU 9 -3.604 -3.158 -4.810 536 3HD2 LEU 9 2HD2 LEU 9 -3.231 -4.873 -4.551 537 H SER 10 H SER 10 -0.178 -0.424 -7.619 538 HA SER 10 HA SER 10 1.280 1.582 -6.171 539 1HB SER 10 2HB SER 10 2.441 1.083 -8.062 540 2HB SER 10 1HB SER 10 1.044 0.412 -8.847 541 HG SER 10 HG SER 10 0.942 2.170 -9.978 542 H VAL 11 H VAL 11 -1.411 1.711 -8.559 543 HA VAL 11 HA VAL 11 -1.910 4.589 -8.157 544 HB VAL 11 HB VAL 11 -3.571 2.493 -9.608 545 1HG1 VAL 11 1HG1 VAL 11 -3.252 5.490 -9.951 546 2HG1 VAL 11 3HG1 VAL 11 -4.173 4.451 -11.038 547 3HG1 VAL 11 2HG1 VAL 11 -4.684 4.645 -9.362 548 1HG2 VAL 11 1HG2 VAL 11 -1.155 4.057 -10.588 549 2HG2 VAL 11 3HG2 VAL 11 -1.279 2.301 -10.425 550 3HG2 VAL 11 2HG2 VAL 11 -2.245 3.152 -11.639 551 H ALA 12 H ALA 12 -3.818 1.591 -7.584 552 HA ALA 12 HA ALA 12 -5.973 2.822 -6.155 553 1HB ALA 12 1HB ALA 12 -5.827 0.510 -7.258 554 2HB ALA 12 2HB ALA 12 -6.632 0.573 -5.692 555 3HB ALA 12 3HB ALA 12 -4.968 -0.020 -5.801 556 H GLY 13 H GLY 13 -3.227 0.976 -4.941 557 1HA GLY 13 1HA GLY 13 -2.127 0.945 -2.916 558 2HA GLY 13 2HA GLY 13 -3.706 1.254 -2.191 559 H ARG 14 H ARG 14 -1.380 3.136 -4.154 560 HA ARG 14 HA ARG 14 -0.668 4.839 -2.037 561 1HB ARG 14 2HB ARG 14 0.435 4.507 -4.305 562 2HB ARG 14 1HB ARG 14 -0.696 5.705 -4.920 563 1HG ARG 14 2HG ARG 14 1.596 6.571 -4.151 564 2HG ARG 14 1HG ARG 14 0.189 7.422 -3.538 565 1HD ARG 14 2HD ARG 14 0.674 6.855 -1.372 566 2HD ARG 14 1HD ARG 14 1.064 5.185 -1.810 567 HE ARG 14 HE ARG 14 3.324 5.863 -2.289 568 1HH1 ARG 14 1HH1 ARG 14 3.022 8.509 -3.514 569 2HH1 ARG 14 2HH1 ARG 14 3.544 9.591 -2.266 570 1HH2 ARG 14 1HH2 ARG 14 3.257 7.221 0.274 571 2HH2 ARG 14 2HH2 ARG 14 3.678 8.858 -0.107 572 H GLU 15 H GLU 15 -3.359 5.322 -4.393 573 HA GLU 15 HA GLU 15 -4.027 8.006 -3.483 574 1HB GLU 15 2HB GLU 15 -5.490 5.793 -4.934 575 2HB GLU 15 1HB GLU 15 -6.276 7.325 -4.553 576 1HG GLU 15 2HG GLU 15 -3.612 7.294 -5.963 577 2HG GLU 15 1HG GLU 15 -5.108 7.072 -6.870 578 H ILE 16 H ILE 16 -5.208 4.768 -2.615 579 HA ILE 16 HA ILE 16 -7.213 5.401 -0.671 580 HB ILE 16 HB ILE 16 -5.322 3.071 -1.153 581 1HG1 ILE 16 2HG1 ILE 16 -8.311 3.276 -1.668 582 2HG1 ILE 16 1HG1 ILE 16 -7.116 3.754 -2.866 583 1HG2 ILE 16 2HG2 ILE 16 -7.505 3.396 0.886 584 2HG2 ILE 16 1HG2 ILE 16 -7.253 1.808 0.148 585 3HG2 ILE 16 3HG2 ILE 16 -5.943 2.593 1.042 586 1HD1 ILE 16 3HD1 ILE 16 -6.154 1.319 -2.294 587 2HD1 ILE 16 2HD1 ILE 16 -7.843 1.039 -1.885 588 3HD1 ILE 16 1HD1 ILE 16 -7.407 1.572 -3.510 589 H VAL 17 H VAL 17 -3.723 5.082 -0.461 590 HA VAL 17 HA VAL 17 -3.659 5.188 2.476 591 HB VAL 17 HB VAL 17 -2.353 3.822 0.679 592 1HG1 VAL 17 2HG1 VAL 17 -0.889 6.410 0.627 593 2HG1 VAL 17 1HG1 VAL 17 -0.063 4.886 0.323 594 3HG1 VAL 17 3HG1 VAL 17 -1.410 5.366 -0.691 595 1HG2 VAL 17 2HG2 VAL 17 -1.096 5.022 3.102 596 2HG2 VAL 17 1HG2 VAL 17 -1.915 3.450 2.945 597 3HG2 VAL 17 3HG2 VAL 17 -0.351 3.728 2.165 598 H THR 18 H THR 18 -3.558 7.570 -0.102 599 HA THR 18 HA THR 18 -2.224 9.523 1.749 600 HB THR 18 HB THR 18 -1.570 10.724 -0.305 601 HG1 THR 18 HG1 THR 18 -2.868 10.296 -1.908 602 1HG2 THR 18 1HG2 THR 18 -0.170 8.889 0.691 603 2HG2 THR 18 3HG2 THR 18 -0.871 7.799 -0.499 604 3HG2 THR 18 2HG2 THR 18 0.105 9.164 -1.030 605 H LEU 19 H LEU 19 -5.420 8.898 0.587 606 HA LEU 19 HA LEU 19 -6.143 11.588 -0.147 607 1HB LEU 19 2HB LEU 19 -8.484 10.882 0.407 608 2HB LEU 19 1HB LEU 19 -7.631 9.826 -0.698 609 HG LEU 19 HG LEU 19 -7.320 9.037 2.116 610 1HD1 LEU 19 2HD1 LEU 19 -10.026 9.117 0.764 611 2HD1 LEU 19 1HD1 LEU 19 -9.675 8.203 2.232 612 3HD1 LEU 19 3HD1 LEU 19 -9.559 9.965 2.237 613 1HD2 LEU 19 3HD2 LEU 19 -8.067 7.773 -0.531 614 2HD2 LEU 19 2HD2 LEU 19 -6.672 7.439 0.489 615 3HD2 LEU 19 1HD2 LEU 19 -8.268 6.879 0.976 616 HA PRO 20 HA PRO 20 -5.746 13.890 3.490 617 1HB PRO 20 2HB PRO 20 -7.435 15.966 2.956 618 2HB PRO 20 1HB PRO 20 -5.884 15.716 2.135 619 1HG PRO 20 2HG PRO 20 -8.639 15.139 1.193 620 2HG PRO 20 1HG PRO 20 -7.230 15.715 0.290 621 1HD PRO 20 1HD PRO 20 -8.147 13.111 0.286 622 2HD PRO 20 2HD PRO 20 -6.486 13.607 -0.123 623 H ASN 21 H ASN 21 -9.217 13.224 2.767 624 HA ASN 21 HA ASN 21 -9.997 14.046 5.504 625 1HB ASN 21 2HB ASN 21 -11.523 12.800 3.217 626 2HB ASN 21 1HB ASN 21 -12.256 13.369 4.701 627 1HD2 ASN 21 1HD2 ASN 21 -13.209 14.515 2.431 628 2HD2 ASN 21 2HD2 ASN 21 -12.628 16.102 2.250 629 H LEU 22 H LEU 22 -8.448 11.299 4.580 630 HA LEU 22 HA LEU 22 -10.210 9.377 5.985 631 1HB LEU 22 2HB LEU 22 -8.985 9.047 3.782 632 2HB LEU 22 1HB LEU 22 -7.529 8.917 4.739 633 HG LEU 22 HG LEU 22 -8.593 7.044 6.006 634 1HD1 LEU 22 3HD1 LEU 22 -10.967 7.893 5.060 635 2HD1 LEU 22 2HD1 LEU 22 -10.594 6.706 3.813 636 3HD1 LEU 22 1HD1 LEU 22 -10.682 6.211 5.505 637 1HD2 LEU 22 3HD2 LEU 22 -7.248 7.033 3.648 638 2HD2 LEU 22 2HD2 LEU 22 -7.743 5.569 4.497 639 3HD2 LEU 22 1HD2 LEU 22 -8.723 6.192 3.171 640 H ASN 23 H ASN 23 -9.343 7.982 7.566 641 HA ASN 23 HA ASN 23 -7.207 9.185 9.303 642 1HB ASN 23 2HB ASN 23 -8.415 8.163 11.195 643 2HB ASN 23 1HB ASN 23 -9.469 9.238 10.286 644 1HD2 ASN 23 1HD2 ASN 23 -10.732 7.363 11.880 645 2HD2 ASN 23 2HD2 ASN 23 -11.404 6.126 10.934 646 H ASP 24 H ASP 24 -5.820 7.625 10.444 647 HA ASP 24 HA ASP 24 -4.610 5.749 8.791 648 1HB ASP 24 2HB ASP 24 -3.350 5.053 10.764 649 2HB ASP 24 1HB ASP 24 -3.554 6.796 10.713 650 HA PRO 25 HA PRO 25 -6.844 2.031 10.876 651 1HB PRO 25 2HB PRO 25 -9.466 2.381 11.593 652 2HB PRO 25 1HB PRO 25 -8.108 2.574 12.721 653 1HG PRO 25 2HG PRO 25 -9.658 4.653 11.258 654 2HG PRO 25 1HG PRO 25 -9.073 4.651 12.929 655 1HD PRO 25 1HD PRO 25 -7.837 6.008 10.954 656 2HD PRO 25 2HD PRO 25 -6.970 5.318 12.334 657 H GLN 26 H GLN 26 -8.885 4.341 8.971 658 HA GLN 26 HA GLN 26 -10.227 2.183 7.539 659 1HB GLN 26 2HB GLN 26 -10.056 5.178 7.134 660 2HB GLN 26 1HB GLN 26 -11.082 4.118 6.164 661 1HG GLN 26 2HG GLN 26 -12.056 3.238 8.348 662 2HG GLN 26 1HG GLN 26 -11.208 4.544 9.166 663 1HE2 GLN 26 1HE2 GLN 26 -11.649 6.718 7.431 664 2HE2 GLN 26 2HE2 GLN 26 -13.317 7.002 7.298 665 H LYS 27 H LYS 27 -7.531 4.451 6.611 666 HA LYS 27 HA LYS 27 -7.099 3.404 3.986 667 1HB LYS 27 2HB LYS 27 -4.627 3.995 4.485 668 2HB LYS 27 1HB LYS 27 -5.810 5.287 4.442 669 1HG LYS 27 2HG LYS 27 -5.908 4.900 7.046 670 2HG LYS 27 1HG LYS 27 -4.355 4.122 6.786 671 1HD LYS 27 2HD LYS 27 -3.870 6.419 7.242 672 2HD LYS 27 1HD LYS 27 -3.656 6.201 5.511 673 1HE LYS 27 2HE LYS 27 -5.431 7.544 4.972 674 2HE LYS 27 1HE LYS 27 -6.392 7.008 6.359 675 1HZ LYS 27 1HZ LYS 27 -4.860 8.257 7.810 676 2HZ LYS 27 3HZ LYS 27 -4.044 8.836 6.440 677 3HZ LYS 27 2HZ LYS 27 -5.664 9.270 6.710 678 H LYS 28 H LYS 28 -6.016 2.271 7.140 679 HA LYS 28 HA LYS 28 -4.315 0.125 6.366 680 1HB LYS 28 2HB LYS 28 -5.955 1.003 8.687 681 2HB LYS 28 1HB LYS 28 -5.772 -0.744 8.611 682 1HG LYS 28 2HG LYS 28 -3.356 0.891 8.185 683 2HG LYS 28 1HG LYS 28 -3.980 0.829 9.817 684 1HD LYS 28 2HD LYS 28 -3.695 -1.490 9.978 685 2HD LYS 28 1HD LYS 28 -3.656 -1.702 8.224 686 1HE LYS 28 2HE LYS 28 -1.430 -1.025 8.047 687 2HE LYS 28 1HE LYS 28 -1.495 -0.070 9.540 688 1HZ LYS 28 1HZ LYS 28 -1.835 -3.022 9.522 689 2HZ LYS 28 3HZ LYS 28 -0.320 -2.282 9.712 690 3HZ LYS 28 2HZ LYS 28 -1.547 -2.011 10.857 691 H ALA 29 H ALA 29 -7.854 0.256 6.962 692 HA ALA 29 HA ALA 29 -8.538 -2.461 6.547 693 1HB ALA 29 1HB ALA 29 -10.775 -1.639 6.497 694 2HB ALA 29 3HB ALA 29 -9.884 -0.516 7.521 695 3HB ALA 29 2HB ALA 29 -10.267 -0.078 5.856 696 H PHE 30 H PHE 30 -8.754 0.227 4.060 697 HA PHE 30 HA PHE 30 -9.408 -1.796 2.050 698 1HB PHE 30 2HB PHE 30 -8.467 0.567 0.727 699 2HB PHE 30 1HB PHE 30 -10.068 -0.124 0.742 700 HD1 PHE 30 HD1 PHE 30 -7.796 2.202 2.473 701 HD2 PHE 30 HD2 PHE 30 -11.856 0.932 1.934 702 HE1 PHE 30 HE1 PHE 30 -8.619 4.268 3.572 703 HE2 PHE 30 HE2 PHE 30 -12.653 2.968 3.031 704 HZ PHE 30 HZ PHE 30 -11.041 4.654 3.858 705 H ILE 31 H ILE 31 -6.339 -0.124 2.979 706 HA ILE 31 HA ILE 31 -4.866 -1.007 0.696 707 HB ILE 31 HB ILE 31 -4.044 -0.383 3.538 708 1HG1 ILE 31 2HG1 ILE 31 -4.193 1.071 0.954 709 2HG1 ILE 31 1HG1 ILE 31 -4.134 1.718 2.605 710 1HG2 ILE 31 3HG2 ILE 31 -2.580 -2.231 2.424 711 2HG2 ILE 31 2HG2 ILE 31 -2.057 -0.958 1.308 712 3HG2 ILE 31 1HG2 ILE 31 -1.752 -0.808 3.036 713 1HD1 ILE 31 3HD1 ILE 31 -1.758 0.597 1.136 714 2HD1 ILE 31 2HD1 ILE 31 -2.175 2.301 1.171 715 3HD1 ILE 31 1HD1 ILE 31 -1.759 1.480 2.676 716 H PHE 32 H PHE 32 -5.256 -2.590 3.912 717 HA PHE 32 HA PHE 32 -3.759 -4.943 3.288 718 1HB PHE 32 2HB PHE 32 -5.778 -4.115 5.348 719 2HB PHE 32 1HB PHE 32 -5.401 -5.832 5.219 720 HD1 PHE 32 HD1 PHE 32 -3.427 -2.537 5.117 721 HD2 PHE 32 HD2 PHE 32 -3.657 -6.620 6.687 722 HE1 PHE 32 HE1 PHE 32 -1.325 -2.257 6.333 723 HE2 PHE 32 HE2 PHE 32 -1.550 -6.228 7.847 724 HZ PHE 32 HZ PHE 32 -0.385 -4.104 7.647 725 H SER 33 H SER 33 -7.278 -4.245 2.827 726 HA SER 33 HA SER 33 -7.863 -6.909 1.755 727 1HB SER 33 2HB SER 33 -10.013 -5.878 1.152 728 2HB SER 33 1HB SER 33 -9.556 -5.402 2.779 729 HG SER 33 HG SER 33 -10.282 -3.655 1.455 730 H LEU 34 H LEU 34 -6.806 -3.813 0.387 731 HA LEU 34 HA LEU 34 -7.125 -4.352 -2.430 732 1HB LEU 34 2HB LEU 34 -6.798 -2.119 -1.645 733 2HB LEU 34 1HB LEU 34 -5.393 -2.551 -0.704 734 HG LEU 34 HG LEU 34 -4.355 -3.086 -3.025 735 1HD1 LEU 34 3HD1 LEU 34 -6.592 -2.814 -4.205 736 2HD1 LEU 34 2HD1 LEU 34 -6.477 -1.084 -3.865 737 3HD1 LEU 34 1HD1 LEU 34 -5.273 -1.867 -4.893 738 1HD2 LEU 34 2HD2 LEU 34 -3.848 -1.145 -1.404 739 2HD2 LEU 34 1HD2 LEU 34 -3.472 -0.864 -3.108 740 3HD2 LEU 34 3HD2 LEU 34 -4.939 -0.187 -2.407 741 H TRP 35 H TRP 35 -4.492 -4.935 -0.110 742 HA TRP 35 HA TRP 35 -2.542 -5.991 -1.944 743 1HB TRP 35 2HB TRP 35 -2.149 -5.166 0.370 744 2HB TRP 35 1HB TRP 35 -3.007 -6.578 0.995 745 HD1 TRP 35 HD1 TRP 35 -1.588 -8.675 1.358 746 HE1 TRP 35 HE1 TRP 35 0.715 -9.470 0.588 747 HE3 TRP 35 HE3 TRP 35 -0.413 -4.906 -1.823 748 HZ2 TRP 35 HZ2 TRP 35 2.821 -8.588 -1.144 749 HZ3 TRP 35 HZ3 TRP 35 1.739 -4.908 -3.030 750 HH2 TRP 35 HH2 TRP 35 3.349 -6.725 -2.689 751 H ASP 36 H ASP 36 -5.042 -7.574 0.100 752 HA ASP 36 HA ASP 36 -4.367 -10.289 -0.626 753 1HB ASP 36 2HB ASP 36 -5.762 -9.141 1.363 754 2HB ASP 36 1HB ASP 36 -7.110 -9.497 0.286 755 H ASP 37 H ASP 37 -6.892 -7.992 -1.715 756 HA ASP 37 HA ASP 37 -7.270 -9.685 -4.126 757 1HB ASP 37 2HB ASP 37 -9.346 -8.438 -2.298 758 2HB ASP 37 1HB ASP 37 -9.736 -9.130 -3.871 759 HA PRO 38 HA PRO 38 -6.497 -5.262 -5.291 760 1HB PRO 38 2HB PRO 38 -4.807 -5.795 -7.351 761 2HB PRO 38 1HB PRO 38 -4.279 -5.591 -5.676 762 1HG PRO 38 2HG PRO 38 -4.722 -8.104 -7.216 763 2HG PRO 38 1HG PRO 38 -3.441 -7.708 -6.061 764 1HD PRO 38 1HD PRO 38 -5.592 -9.249 -5.431 765 2HD PRO 38 2HD PRO 38 -4.738 -8.239 -4.244 766 H SER 39 H SER 39 -7.984 -7.999 -6.700 767 HA SER 39 HA SER 39 -8.542 -7.143 -9.389 768 1HB SER 39 2HB SER 39 -9.124 -9.299 -7.793 769 2HB SER 39 1HB SER 39 -10.686 -8.492 -7.827 770 HG SER 39 HG SER 39 -10.832 -8.823 -9.944 771 H GLN 40 H GLN 40 -9.937 -6.384 -6.225 772 HA GLN 40 HA GLN 40 -12.011 -4.562 -7.331 773 1HB GLN 40 2HB GLN 40 -11.290 -4.923 -4.422 774 2HB GLN 40 1HB GLN 40 -12.860 -4.544 -5.119 775 1HG GLN 40 2HG GLN 40 -12.524 -6.960 -6.219 776 2HG GLN 40 1HG GLN 40 -11.484 -7.164 -4.807 777 1HE2 GLN 40 1HE2 GLN 40 -12.851 -5.785 -2.804 778 2HE2 GLN 40 2HE2 GLN 40 -14.386 -6.466 -2.570 779 H SER 41 H SER 41 -8.848 -4.061 -7.335 780 HA SER 41 HA SER 41 -8.132 -2.058 -5.503 781 1HB SER 41 2HB SER 41 -6.468 -1.435 -7.187 782 2HB SER 41 1HB SER 41 -6.594 -3.172 -6.992 783 HG SER 41 HG SER 41 -7.186 -3.300 -9.011 784 H ALA 42 H ALA 42 -9.881 -1.681 -8.620 785 HA ALA 42 HA ALA 42 -9.925 1.215 -8.650 786 1HB ALA 42 1HB ALA 42 -11.824 -0.875 -9.796 787 2HB ALA 42 3HB ALA 42 -11.807 0.826 -10.257 788 3HB ALA 42 2HB ALA 42 -10.417 -0.196 -10.616 789 H ASN 43 H ASN 43 -12.206 -1.265 -7.440 790 HA ASN 43 HA ASN 43 -14.159 0.508 -6.331 791 1HB ASN 43 2HB ASN 43 -14.443 -1.927 -6.885 792 2HB ASN 43 1HB ASN 43 -13.403 -2.318 -5.516 793 1HD2 ASN 43 1HD2 ASN 43 -16.485 -0.591 -6.285 794 2HD2 ASN 43 2HD2 ASN 43 -17.196 -0.899 -4.776 795 H LEU 44 H LEU 44 -11.104 -0.852 -5.076 796 HA LEU 44 HA LEU 44 -11.490 -0.124 -2.296 797 1HB LEU 44 2HB LEU 44 -9.330 -1.050 -4.127 798 2HB LEU 44 1HB LEU 44 -8.825 -0.320 -2.605 799 HG LEU 44 HG LEU 44 -11.059 -2.256 -2.430 800 1HD1 LEU 44 1HD1 LEU 44 -8.516 -2.937 -3.701 801 2HD1 LEU 44 3HD1 LEU 44 -8.807 -3.884 -2.238 802 3HD1 LEU 44 2HD1 LEU 44 -9.988 -3.907 -3.549 803 1HD2 LEU 44 3HD2 LEU 44 -8.772 -1.184 -0.852 804 2HD2 LEU 44 2HD2 LEU 44 -10.428 -1.557 -0.351 805 3HD2 LEU 44 1HD2 LEU 44 -9.243 -2.858 -0.515 806 H LEU 45 H LEU 45 -9.679 1.326 -4.923 807 HA LEU 45 HA LEU 45 -8.755 3.706 -3.693 808 1HB LEU 45 2HB LEU 45 -7.949 2.915 -5.849 809 2HB LEU 45 1HB LEU 45 -9.567 2.996 -6.533 810 HG LEU 45 HG LEU 45 -9.530 5.330 -6.684 811 1HD1 LEU 45 2HD1 LEU 45 -7.491 5.159 -4.483 812 2HD1 LEU 45 1HD1 LEU 45 -7.566 6.595 -5.509 813 3HD1 LEU 45 3HD1 LEU 45 -8.972 6.119 -4.566 814 1HD2 LEU 45 2HD2 LEU 45 -6.712 4.298 -7.076 815 2HD2 LEU 45 1HD2 LEU 45 -7.973 4.477 -8.296 816 3HD2 LEU 45 3HD2 LEU 45 -7.224 5.908 -7.587 817 H ALA 46 H ALA 46 -11.783 2.972 -5.427 818 HA ALA 46 HA ALA 46 -13.001 5.568 -5.166 819 1HB ALA 46 1HB ALA 46 -13.777 3.890 -6.749 820 2HB ALA 46 3HB ALA 46 -14.053 2.737 -5.442 821 3HB ALA 46 2HB ALA 46 -15.080 4.166 -5.589 822 H GLU 47 H GLU 47 -13.168 2.568 -3.191 823 HA GLU 47 HA GLU 47 -14.986 3.412 -1.189 824 1HB GLU 47 2HB GLU 47 -14.077 1.084 -1.626 825 2HB GLU 47 1HB GLU 47 -12.559 1.593 -0.879 826 1HG GLU 47 2HG GLU 47 -14.003 0.420 0.752 827 2HG GLU 47 1HG GLU 47 -13.755 2.099 1.222 828 H ALA 48 H ALA 48 -11.505 3.901 -1.542 829 HA ALA 48 HA ALA 48 -10.949 5.031 1.051 830 1HB ALA 48 3HB ALA 48 -8.948 4.567 0.059 831 2HB ALA 48 1HB ALA 48 -9.122 6.106 -0.789 832 3HB ALA 48 2HB ALA 48 -9.654 4.592 -1.561 833 H LYS 49 H LYS 49 -11.569 6.540 -2.148 834 HA LYS 49 HA LYS 49 -11.605 9.281 -1.253 835 1HB LYS 49 2HB LYS 49 -12.883 7.856 -3.618 836 2HB LYS 49 1HB LYS 49 -12.759 9.609 -3.470 837 1HG LYS 49 2HG LYS 49 -10.289 9.415 -3.337 838 2HG LYS 49 1HG LYS 49 -10.422 7.668 -3.525 839 1HD LYS 49 2HD LYS 49 -11.630 8.092 -5.712 840 2HD LYS 49 1HD LYS 49 -11.200 9.793 -5.538 841 1HE LYS 49 2HE LYS 49 -8.793 8.388 -5.083 842 2HE LYS 49 1HE LYS 49 -9.547 7.586 -6.472 843 1HZ LYS 49 1HZ LYS 49 -9.197 10.531 -6.176 844 2HZ LYS 49 3HZ LYS 49 -8.227 9.527 -7.142 845 3HZ LYS 49 2HZ LYS 49 -9.872 9.733 -7.517 846 H LYS 50 H LYS 50 -14.252 6.912 -1.786 847 HA LYS 50 HA LYS 50 -16.468 8.606 -1.104 848 1HB LYS 50 2HB LYS 50 -15.951 5.622 -0.998 849 2HB LYS 50 1HB LYS 50 -17.526 6.308 -0.609 850 1HG LYS 50 2HG LYS 50 -17.877 7.079 -2.799 851 2HG LYS 50 1HG LYS 50 -16.160 7.043 -3.192 852 1HD LYS 50 2HD LYS 50 -17.290 5.181 -4.308 853 2HD LYS 50 1HD LYS 50 -16.209 4.553 -3.067 854 1HE LYS 50 2HE LYS 50 -18.861 5.079 -1.960 855 2HE LYS 50 1HE LYS 50 -18.941 3.955 -3.330 856 1HZ LYS 50 1HZ LYS 50 -17.080 2.710 -2.324 857 2HZ LYS 50 3HZ LYS 50 -17.132 3.735 -0.971 858 3HZ LYS 50 2HZ LYS 50 -18.452 2.729 -1.326 859 H LEU 51 H LEU 51 -14.443 6.438 0.900 860 HA LEU 51 HA LEU 51 -15.892 6.811 3.356 861 1HB LEU 51 2HB LEU 51 -14.327 4.942 2.709 862 2HB LEU 51 1HB LEU 51 -12.976 6.042 2.918 863 HG LEU 51 HG LEU 51 -13.209 6.073 5.244 864 1HD1 LEU 51 3HD1 LEU 51 -16.116 5.544 4.705 865 2HD1 LEU 51 2HD1 LEU 51 -15.453 5.086 6.269 866 3HD1 LEU 51 1HD1 LEU 51 -15.381 6.766 5.743 867 1HD2 LEU 51 3HD2 LEU 51 -13.951 3.421 4.075 868 2HD2 LEU 51 2HD2 LEU 51 -12.542 3.874 5.029 869 3HD2 LEU 51 1HD2 LEU 51 -14.088 3.602 5.825 870 H ASN 52 H ASN 52 -13.169 8.628 1.891 871 HA ASN 52 HA ASN 52 -12.489 10.226 4.169 872 1HB ASN 52 2HB ASN 52 -10.988 11.027 2.676 873 2HB ASN 52 1HB ASN 52 -11.622 9.838 1.573 874 1HD2 ASN 52 1HD2 ASN 52 -10.472 12.688 1.226 875 2HD2 ASN 52 2HD2 ASN 52 -11.611 13.479 0.252 876 H ASP 53 H ASP 53 -15.072 10.498 1.749 877 HA ASP 53 HA ASP 53 -15.934 13.170 2.320 878 1HB ASP 53 2HB ASP 53 -16.426 11.650 0.322 879 2HB ASP 53 1HB ASP 53 -17.618 10.850 1.345 880 H ALA 54 H ALA 54 -16.741 10.019 3.762 881 HA ALA 54 HA ALA 54 -19.094 10.774 5.220 882 1HB ALA 54 1HB ALA 54 -17.994 8.487 4.669 883 2HB ALA 54 3HB ALA 54 -17.036 8.760 6.125 884 3HB ALA 54 2HB ALA 54 -18.794 8.657 6.234 885 H GLN 55 H GLN 55 -15.640 11.087 5.974 886 HA GLN 55 HA GLN 55 -16.146 12.053 8.729 887 1HB GLN 55 2HB GLN 55 -13.734 11.509 6.982 888 2HB GLN 55 1HB GLN 55 -13.583 12.131 8.614 889 1HG GLN 55 2HG GLN 55 -14.641 10.175 9.552 890 2HG GLN 55 1HG GLN 55 -15.082 9.585 7.945 891 1HE2 GLN 55 1HE2 GLN 55 -12.859 9.774 6.449 892 2HE2 GLN 55 2HE2 GLN 55 -11.566 8.911 7.136 893 H ALA 56 H ALA 56 -14.974 13.296 5.582 894 HA ALA 56 HA ALA 56 -15.512 16.098 6.478 895 1HB ALA 56 3HB ALA 56 -13.234 16.029 6.901 896 2HB ALA 56 1HB ALA 56 -13.190 16.428 5.182 897 3HB ALA 56 2HB ALA 56 -12.961 14.759 5.707 898 HA PRO 57 HA PRO 57 -17.090 16.380 2.321 899 1HB PRO 57 2HB PRO 57 -16.800 19.058 1.828 900 2HB PRO 57 1HB PRO 57 -18.050 18.403 2.905 901 1HG PRO 57 2HG PRO 57 -15.426 19.630 3.580 902 2HG PRO 57 1HG PRO 57 -16.998 19.829 4.370 903 1HD PRO 57 1HD PRO 57 -15.040 18.226 5.353 904 2HD PRO 57 2HD PRO 57 -16.771 17.899 5.599 905 H LYS 58 H LYS 58 -16.238 16.254 0.222 906 HA LYS 58 HA LYS 58 -13.357 16.155 -0.127 907 1HB LYS 58 2HB LYS 58 -15.731 16.002 -2.006 908 2HB LYS 58 1HB LYS 58 -14.071 15.813 -2.564 909 1HG LYS 58 2HG LYS 58 -13.768 13.937 -0.956 910 2HG LYS 58 1HG LYS 58 -15.457 14.099 -0.478 911 1HD LYS 58 2HD LYS 58 -16.109 13.725 -2.879 912 2HD LYS 58 1HD LYS 58 -14.414 13.397 -3.238 913 1HE LYS 58 2HE LYS 58 -14.765 11.238 -2.636 914 2HE LYS 58 1HE LYS 58 -15.073 11.793 -0.981 915 1HZ LYS 58 2HZ LYS 58 -17.378 12.345 -1.722 916 2HZ LYS 58 1HZ LYS 58 -17.047 11.550 -3.189 917 3HZ LYS 58 3HZ LYS 58 -17.025 10.682 -1.733 No H/Q in entry = 917 Start of MODEL 7 1 H1 VAL 1 3H VAL 1 -4.236 -22.424 7.953 2 H2 VAL 1 2H VAL 1 -4.895 -21.408 6.762 3 H3 VAL 1 1H VAL 1 -4.309 -22.948 6.343 4 HA VAL 1 HA VAL 1 -2.055 -22.319 6.739 5 HB VAL 1 HB VAL 1 -3.698 -20.240 5.236 6 1HG1 VAL 1 3HG1 VAL 1 -0.707 -20.738 5.263 7 2HG1 VAL 1 2HG1 VAL 1 -1.524 -19.851 3.977 8 3HG1 VAL 1 1HG1 VAL 1 -1.547 -19.230 5.627 9 1HG2 VAL 1 1HG2 VAL 1 -2.292 -22.808 4.446 10 2HG2 VAL 1 3HG2 VAL 1 -4.000 -22.409 4.264 11 3HG2 VAL 1 2HG2 VAL 1 -2.796 -21.604 3.260 12 H ASP 2 H ASP 2 -0.778 -21.369 8.276 13 HA ASP 2 HA ASP 2 -1.632 -18.751 9.469 14 1HB ASP 2 2HB ASP 2 -0.629 -21.259 10.868 15 2HB ASP 2 1HB ASP 2 -0.886 -19.712 11.669 16 H ASN 3 H ASN 3 -0.051 -17.612 8.252 17 HA ASN 3 HA ASN 3 2.782 -18.084 9.094 18 1HB ASN 3 2HB ASN 3 3.507 -17.860 6.778 19 2HB ASN 3 1HB ASN 3 2.284 -19.121 6.864 20 1HD2 ASN 3 1HD2 ASN 3 3.192 -16.720 4.849 21 2HD2 ASN 3 2HD2 ASN 3 1.686 -16.220 4.249 22 H LYS 4 H LYS 4 3.993 -16.182 9.379 23 HA LYS 4 HA LYS 4 2.565 -13.713 9.831 24 1HB LYS 4 2HB LYS 4 4.768 -12.821 10.380 25 2HB LYS 4 1HB LYS 4 4.621 -14.443 11.044 26 1HG LYS 4 2HG LYS 4 5.923 -15.343 9.157 27 2HG LYS 4 1HG LYS 4 6.021 -13.737 8.442 28 1HD LYS 4 2HD LYS 4 6.902 -13.789 11.242 29 2HD LYS 4 1HD LYS 4 7.869 -14.830 10.198 30 1HE LYS 4 2HE LYS 4 9.000 -12.851 9.800 31 2HE LYS 4 1HE LYS 4 7.707 -12.626 8.607 32 1HZ LYS 4 2HZ LYS 4 6.381 -11.515 10.321 33 2HZ LYS 4 1HZ LYS 4 7.656 -11.682 11.433 34 3HZ LYS 4 3HZ LYS 4 7.849 -10.704 10.062 35 H PHE 5 H PHE 5 4.545 -14.850 7.092 36 HA PHE 5 HA PHE 5 5.008 -12.453 5.724 37 1HB PHE 5 2HB PHE 5 4.427 -15.234 4.691 38 2HB PHE 5 1HB PHE 5 5.054 -13.939 3.684 39 HD1 PHE 5 HD1 PHE 5 6.562 -16.409 3.883 40 HD2 PHE 5 HD2 PHE 5 6.633 -13.006 6.522 41 HE1 PHE 5 HE1 PHE 5 8.863 -16.993 4.585 42 HE2 PHE 5 HE2 PHE 5 8.937 -13.596 7.206 43 HZ PHE 5 HZ PHE 5 10.051 -15.587 6.245 44 H ASN 6 H ASN 6 1.946 -14.277 5.875 45 HA ASN 6 HA ASN 6 0.581 -13.167 3.652 46 1HB ASN 6 2HB ASN 6 -0.052 -14.939 5.535 47 2HB ASN 6 1HB ASN 6 -0.821 -13.543 6.285 48 1HD2 ASN 6 1HD2 ASN 6 -2.248 -12.208 4.586 49 2HD2 ASN 6 2HD2 ASN 6 -3.191 -13.151 3.540 50 H LYS 7 H LYS 7 0.168 -11.934 7.048 51 HA LYS 7 HA LYS 7 -0.840 -9.381 6.114 52 1HB LYS 7 2HB LYS 7 -1.600 -10.022 8.216 53 2HB LYS 7 1HB LYS 7 0.022 -10.494 8.768 54 1HG LYS 7 2HG LYS 7 0.706 -8.153 8.843 55 2HG LYS 7 1HG LYS 7 -0.837 -7.653 8.150 56 1HD LYS 7 2HD LYS 7 -2.031 -8.233 10.074 57 2HD LYS 7 1HD LYS 7 -0.718 -9.254 10.677 58 1HE LYS 7 2HE LYS 7 -0.711 -7.200 11.995 59 2HE LYS 7 1HE LYS 7 0.688 -7.138 10.909 60 1HZ LYS 7 2HZ LYS 7 -1.945 -6.037 10.089 61 2HZ LYS 7 1HZ LYS 7 -0.837 -5.104 10.976 62 3HZ LYS 7 3HZ LYS 7 -0.404 -5.700 9.450 63 H GLU 8 H GLU 8 2.415 -10.504 7.041 64 HA GLU 8 HA GLU 8 3.754 -8.044 7.372 65 1HB GLU 8 2HB GLU 8 4.572 -10.705 6.197 66 2HB GLU 8 1HB GLU 8 5.708 -9.362 6.274 67 1HG GLU 8 2HG GLU 8 4.245 -10.551 8.650 68 2HG GLU 8 1HG GLU 8 5.937 -10.846 8.227 69 H GLN 9 H GLN 9 2.747 -9.723 4.408 70 HA GLN 9 HA GLN 9 4.050 -7.947 2.603 71 1HB GLN 9 2HB GLN 9 1.716 -9.839 2.342 72 2HB GLN 9 1HB GLN 9 2.368 -8.926 0.987 73 1HG GLN 9 2HG GLN 9 4.509 -9.991 1.180 74 2HG GLN 9 1HG GLN 9 4.033 -10.792 2.678 75 1HE2 GLN 9 1HE2 GLN 9 3.550 -10.787 -0.848 76 2HE2 GLN 9 2HE2 GLN 9 2.755 -12.286 -0.910 77 H GLN 10 H GLN 10 0.633 -8.072 3.833 78 HA GLN 10 HA GLN 10 -0.111 -5.580 2.507 79 1HB GLN 10 2HB GLN 10 -1.778 -5.632 4.657 80 2HB GLN 10 1HB GLN 10 -2.146 -6.242 3.085 81 1HG GLN 10 2HG GLN 10 -0.787 -8.210 4.781 82 2HG GLN 10 1HG GLN 10 -2.298 -7.626 5.450 83 1HE2 GLN 10 1HE2 GLN 10 -1.116 -10.031 3.434 84 2HE2 GLN 10 2HE2 GLN 10 -2.523 -10.316 2.529 85 H ASN 11 H ASN 11 1.266 -6.270 5.707 86 HA ASN 11 HA ASN 11 1.041 -3.543 6.658 87 1HB ASN 11 2HB ASN 11 1.642 -5.827 7.870 88 2HB ASN 11 1HB ASN 11 3.294 -5.403 7.420 89 1HD2 ASN 11 1HD2 ASN 11 4.307 -3.616 8.525 90 2HD2 ASN 11 2HD2 ASN 11 3.564 -2.811 9.822 91 H ALA 12 H ALA 12 3.616 -5.374 4.959 92 HA ALA 12 HA ALA 12 5.511 -3.199 4.773 93 1HB ALA 12 1HB ALA 12 5.031 -5.833 3.380 94 2HB ALA 12 2HB ALA 12 6.384 -5.357 4.416 95 3HB ALA 12 3HB ALA 12 6.262 -4.718 2.772 96 H PHE 13 H PHE 13 3.004 -4.477 2.568 97 HA PHE 13 HA PHE 13 3.317 -2.717 0.334 98 1HB PHE 13 2HB PHE 13 1.859 -4.681 0.263 99 2HB PHE 13 1HB PHE 13 0.935 -4.113 1.641 100 HD1 PHE 13 HD1 PHE 13 2.054 -2.613 -1.592 101 HD2 PHE 13 HD2 PHE 13 -1.193 -3.416 1.068 102 HE1 PHE 13 HE1 PHE 13 0.492 -1.553 -3.182 103 HE2 PHE 13 HE2 PHE 13 -2.758 -2.344 -0.506 104 HZ PHE 13 HZ PHE 13 -1.914 -1.414 -2.626 105 H TYR 14 H TYR 14 1.113 -2.558 3.085 106 HA TYR 14 HA TYR 14 -0.073 -0.045 2.809 107 1HB TYR 14 2HB TYR 14 -0.640 -1.844 4.370 108 2HB TYR 14 1HB TYR 14 0.863 -1.584 5.248 109 HD1 TYR 14 HD1 TYR 14 -2.330 0.009 4.245 110 HD2 TYR 14 HD2 TYR 14 1.028 0.066 6.909 111 HE1 TYR 14 HE1 TYR 14 -3.477 1.647 5.629 112 HE2 TYR 14 HE2 TYR 14 -0.109 1.756 8.314 113 HH TYR 14 HH TYR 14 -2.031 3.585 7.794 114 H GLU 15 H GLU 15 2.811 -0.829 4.826 115 HA GLU 15 HA GLU 15 3.503 1.861 5.476 116 1HB GLU 15 2HB GLU 15 5.104 -0.703 5.275 117 2HB GLU 15 1HB GLU 15 5.743 0.789 5.960 118 1HG GLU 15 2HG GLU 15 3.279 -0.676 6.973 119 2HG GLU 15 1HG GLU 15 4.866 -0.722 7.729 120 H ILE 16 H ILE 16 4.603 -0.226 2.725 121 HA ILE 16 HA ILE 16 6.482 1.579 1.539 122 HB ILE 16 HB ILE 16 4.706 -0.674 0.646 123 1HG1 ILE 16 2HG1 ILE 16 7.557 -0.412 -0.135 124 2HG1 ILE 16 1HG1 ILE 16 7.246 -0.462 1.596 125 1HG2 ILE 16 1HG2 ILE 16 6.004 1.242 -1.283 126 2HG2 ILE 16 3HG2 ILE 16 5.681 -0.442 -1.709 127 3HG2 ILE 16 2HG2 ILE 16 4.349 0.634 -1.291 128 1HD1 ILE 16 2HD1 ILE 16 5.765 -2.452 -0.017 129 2HD1 ILE 16 1HD1 ILE 16 7.536 -2.672 0.063 130 3HD1 ILE 16 3HD1 ILE 16 6.580 -2.622 1.546 131 H LEU 17 H LEU 17 2.961 1.324 1.113 132 HA LEU 17 HA LEU 17 2.634 3.605 -0.666 133 1HB LEU 17 2HB LEU 17 0.746 2.199 1.260 134 2HB LEU 17 1HB LEU 17 0.234 3.347 0.031 135 HG LEU 17 HG LEU 17 1.937 1.197 -1.015 136 1HD1 LEU 17 3HD1 LEU 17 -0.015 0.421 0.840 137 2HD1 LEU 17 2HD1 LEU 17 -0.773 0.245 -0.757 138 3HD1 LEU 17 1HD1 LEU 17 0.736 -0.586 -0.404 139 1HD2 LEU 17 1HD2 LEU 17 0.355 2.968 -2.179 140 2HD2 LEU 17 3HD2 LEU 17 0.520 1.310 -2.815 141 3HD2 LEU 17 2HD2 LEU 17 -0.877 1.721 -1.789 142 H HIS 18 H HIS 18 2.420 3.231 2.900 143 HA HIS 18 HA HIS 18 1.509 5.942 3.403 144 1HB HIS 18 2HB HIS 18 2.504 3.627 5.062 145 2HB HIS 18 1HB HIS 18 2.226 5.194 5.806 146 HD1 HIS 18 HD1 HIS 18 -0.281 6.153 5.679 147 HD2 HIS 18 HD2 HIS 18 0.131 2.163 4.564 148 HE1 HIS 18 HE1 HIS 18 -2.601 5.064 5.568 149 H LEU 19 H LEU 19 4.772 4.524 3.123 150 HA LEU 19 HA LEU 19 6.293 6.283 4.731 151 1HB LEU 19 2HB LEU 19 6.846 4.858 2.122 152 2HB LEU 19 1HB LEU 19 8.091 5.825 2.903 153 HG LEU 19 HG LEU 19 6.610 3.600 4.335 154 1HD1 LEU 19 3HD1 LEU 19 9.124 3.534 2.662 155 2HD1 LEU 19 2HD1 LEU 19 8.821 2.345 3.928 156 3HD1 LEU 19 1HD1 LEU 19 7.717 2.477 2.564 157 1HD2 LEU 19 1HD2 LEU 19 7.988 5.513 5.533 158 2HD2 LEU 19 3HD2 LEU 19 8.176 3.835 6.056 159 3HD2 LEU 19 2HD2 LEU 19 9.373 4.571 4.992 160 HA PRO 20 HA PRO 20 5.302 10.181 2.782 161 1HB PRO 20 2HB PRO 20 7.088 11.710 4.200 162 2HB PRO 20 1HB PRO 20 5.527 11.157 4.839 163 1HG PRO 20 2HG PRO 20 8.249 9.983 5.227 164 2HG PRO 20 1HG PRO 20 6.969 10.273 6.420 165 1HD PRO 20 1HD PRO 20 7.387 7.837 5.407 166 2HD PRO 20 2HD PRO 20 5.744 8.421 5.760 167 H ASN 21 H ASN 21 8.558 8.740 2.648 168 HA ASN 21 HA ASN 21 9.269 10.760 0.546 169 1HB ASN 21 2HB ASN 21 10.998 9.015 2.324 170 2HB ASN 21 1HB ASN 21 11.617 10.129 1.106 171 1HD2 ASN 21 1HD2 ASN 21 10.311 9.923 4.353 172 2HD2 ASN 21 2HD2 ASN 21 10.388 11.583 4.694 173 H LEU 22 H LEU 22 7.893 7.775 0.600 174 HA LEU 22 HA LEU 22 9.624 6.491 -1.420 175 1HB LEU 22 2HB LEU 22 7.156 5.766 0.138 176 2HB LEU 22 1HB LEU 22 7.450 4.921 -1.374 177 HG LEU 22 HG LEU 22 8.903 4.730 1.219 178 1HD1 LEU 22 1HD1 LEU 22 8.276 2.910 -1.111 179 2HD1 LEU 22 3HD1 LEU 22 9.294 2.398 0.240 180 3HD1 LEU 22 2HD1 LEU 22 7.610 2.849 0.522 181 1HD2 LEU 22 3HD2 LEU 22 10.331 4.532 -1.455 182 2HD2 LEU 22 2HD2 LEU 22 10.699 5.665 -0.129 183 3HD2 LEU 22 1HD2 LEU 22 10.976 3.930 0.078 184 H ASN 23 H ASN 23 9.282 6.604 -3.554 185 HA ASN 23 HA ASN 23 6.945 8.215 -4.521 186 1HB ASN 23 2HB ASN 23 8.467 8.513 -6.565 187 2HB ASN 23 1HB ASN 23 8.999 9.282 -5.085 188 1HD2 ASN 23 1HD2 ASN 23 11.124 8.766 -4.395 189 2HD2 ASN 23 2HD2 ASN 23 12.035 7.473 -5.011 190 H GLU 24 H GLU 24 6.705 7.573 -7.066 191 HA GLU 24 HA GLU 24 5.385 5.024 -7.089 192 1HB GLU 24 2HB GLU 24 5.016 5.539 -9.448 193 2HB GLU 24 1HB GLU 24 4.883 7.029 -8.525 194 1HG GLU 24 2HG GLU 24 7.283 7.528 -9.119 195 2HG GLU 24 1HG GLU 24 7.262 6.115 -10.173 196 H GLU 25 H GLU 25 8.701 5.952 -8.083 197 HA GLU 25 HA GLU 25 9.310 3.471 -9.447 198 1HB GLU 25 2HB GLU 25 10.563 5.634 -9.632 199 2HB GLU 25 1HB GLU 25 11.140 5.410 -7.983 200 1HG GLU 25 2HG GLU 25 12.187 3.252 -8.673 201 2HG GLU 25 1HG GLU 25 11.682 3.571 -10.334 202 H GLN 26 H GLN 26 9.994 4.589 -6.088 203 HA GLN 26 HA GLN 26 11.061 2.013 -5.233 204 1HB GLN 26 2HB GLN 26 10.122 4.432 -3.676 205 2HB GLN 26 1HB GLN 26 11.050 3.095 -3.006 206 1HG GLN 26 2HG GLN 26 11.934 5.130 -5.067 207 2HG GLN 26 1HG GLN 26 12.648 4.798 -3.495 208 1HE2 GLN 26 1HE2 GLN 26 13.524 4.501 -6.565 209 2HE2 GLN 26 2HE2 GLN 26 14.321 3.002 -6.546 210 H ARG 27 H ARG 27 8.025 3.730 -4.320 211 HA ARG 27 HA ARG 27 6.918 1.663 -2.737 212 1HB ARG 27 2HB ARG 27 6.064 3.961 -2.816 213 2HB ARG 27 1HB ARG 27 5.575 3.748 -4.494 214 1HG ARG 27 2HG ARG 27 4.084 1.860 -3.705 215 2HG ARG 27 1HG ARG 27 4.414 2.398 -2.058 216 1HD ARG 27 2HD ARG 27 2.372 3.472 -2.747 217 2HD ARG 27 1HD ARG 27 3.641 4.712 -2.807 218 HE ARG 27 HE ARG 27 2.857 3.146 -5.247 219 1HH1 ARG 27 1HH1 ARG 27 4.810 5.697 -4.277 220 2HH1 ARG 27 2HH1 ARG 27 4.206 6.835 -5.430 221 1HH2 ARG 27 1HH2 ARG 27 1.580 4.814 -6.481 222 2HH2 ARG 27 2HH2 ARG 27 2.379 6.336 -6.679 223 H ASN 28 H ASN 28 6.279 2.298 -6.260 224 HA ASN 28 HA ASN 28 4.435 0.097 -6.581 225 1HB ASN 28 2HB ASN 28 6.169 1.416 -8.665 226 2HB ASN 28 1HB ASN 28 4.706 0.525 -8.975 227 1HD2 ASN 28 1HD2 ASN 28 4.682 3.043 -10.003 228 2HD2 ASN 28 2HD2 ASN 28 3.737 4.088 -9.058 229 H ALA 29 H ALA 29 7.968 0.389 -7.138 230 HA ALA 29 HA ALA 29 8.435 -2.232 -8.229 231 1HB ALA 29 3HB ALA 29 10.005 -0.279 -8.096 232 2HB ALA 29 1HB ALA 29 10.716 -1.795 -7.538 233 3HB ALA 29 2HB ALA 29 10.164 -0.597 -6.364 234 H PHE 30 H PHE 30 8.192 -0.998 -4.909 235 HA PHE 30 HA PHE 30 8.944 -3.386 -3.512 236 1HB PHE 30 2HB PHE 30 7.333 -0.907 -2.923 237 2HB PHE 30 1HB PHE 30 7.462 -2.194 -1.727 238 HD1 PHE 30 HD1 PHE 30 10.345 -3.037 -2.773 239 HD2 PHE 30 HD2 PHE 30 8.591 0.665 -1.497 240 HE1 PHE 30 HE1 PHE 30 12.545 -2.249 -2.075 241 HE2 PHE 30 HE2 PHE 30 10.822 1.459 -0.792 242 HZ PHE 30 HZ PHE 30 12.794 -0.050 -1.076 243 H ILE 31 H ILE 31 5.830 -2.114 -4.567 244 HA ILE 31 HA ILE 31 4.233 -4.257 -3.511 245 HB ILE 31 HB ILE 31 3.884 -2.237 -5.743 246 1HG1 ILE 31 2HG1 ILE 31 2.681 -2.302 -3.006 247 2HG1 ILE 31 1HG1 ILE 31 4.253 -1.585 -3.273 248 1HG2 ILE 31 1HG2 ILE 31 2.264 -4.505 -5.094 249 2HG2 ILE 31 3HG2 ILE 31 1.418 -3.024 -4.642 250 3HG2 ILE 31 2HG2 ILE 31 1.979 -3.255 -6.301 251 1HD1 ILE 31 3HD1 ILE 31 1.725 -0.798 -4.730 252 2HD1 ILE 31 2HD1 ILE 31 2.401 0.053 -3.316 253 3HD1 ILE 31 1HD1 ILE 31 3.316 -0.002 -4.824 254 H GLN 32 H GLN 32 6.252 -3.939 -6.440 255 HA GLN 32 HA GLN 32 5.192 -6.325 -7.768 256 1HB GLN 32 2HB GLN 32 7.707 -4.655 -8.068 257 2HB GLN 32 1HB GLN 32 7.328 -6.014 -9.122 258 1HG GLN 32 2HG GLN 32 5.251 -4.944 -9.824 259 2HG GLN 32 1HG GLN 32 5.516 -3.616 -8.699 260 1HE2 GLN 32 1HE2 GLN 32 6.728 -5.093 -11.721 261 2HE2 GLN 32 2HE2 GLN 32 7.603 -3.728 -12.224 262 H SER 33 H SER 33 8.170 -5.619 -5.886 263 HA SER 33 HA SER 33 9.131 -8.345 -5.738 264 1HB SER 33 2HB SER 33 10.542 -7.318 -3.903 265 2HB SER 33 1HB SER 33 10.632 -6.512 -5.464 266 HG SER 33 HG SER 33 10.147 -4.835 -4.269 267 H LEU 34 H LEU 34 6.842 -6.513 -3.810 268 HA LEU 34 HA LEU 34 6.831 -8.305 -1.501 269 1HB LEU 34 2HB LEU 34 6.451 -5.841 -1.511 270 2HB LEU 34 1HB LEU 34 4.971 -6.091 -2.423 271 HG LEU 34 HG LEU 34 4.241 -7.600 -0.466 272 1HD1 LEU 34 3HD1 LEU 34 6.623 -6.169 0.698 273 2HD1 LEU 34 2HD1 LEU 34 5.319 -6.823 1.691 274 3HD1 LEU 34 1HD1 LEU 34 6.287 -7.899 0.684 275 1HD2 LEU 34 3HD2 LEU 34 3.861 -4.958 -1.026 276 2HD2 LEU 34 2HD2 LEU 34 3.086 -5.811 0.302 277 3HD2 LEU 34 1HD2 LEU 34 4.540 -4.864 0.599 278 H LYS 35 H LYS 35 4.457 -7.619 -4.149 279 HA LYS 35 HA LYS 35 2.580 -9.693 -3.321 280 1HB LYS 35 2HB LYS 35 2.868 -7.690 -5.465 281 2HB LYS 35 1HB LYS 35 2.068 -9.142 -6.003 282 1HG LYS 35 2HG LYS 35 0.980 -8.521 -3.474 283 2HG LYS 35 1HG LYS 35 0.981 -7.047 -4.437 284 1HD LYS 35 2HD LYS 35 -0.046 -9.696 -5.467 285 2HD LYS 35 1HD LYS 35 -1.076 -8.491 -4.694 286 1HE LYS 35 2HE LYS 35 0.160 -6.899 -6.504 287 2HE LYS 35 1HE LYS 35 0.189 -8.437 -7.390 288 1HZ LYS 35 1HZ LYS 35 -2.196 -8.701 -6.835 289 2HZ LYS 35 3HZ LYS 35 -2.188 -7.147 -6.153 290 3HZ LYS 35 2HZ LYS 35 -1.897 -7.348 -7.813 291 H ASP 36 H ASP 36 5.358 -9.649 -5.546 292 HA ASP 36 HA ASP 36 4.801 -12.360 -6.551 293 1HB ASP 36 2HB ASP 36 7.180 -10.481 -6.801 294 2HB ASP 36 1HB ASP 36 7.026 -12.000 -7.670 295 H ASP 37 H ASP 37 7.023 -10.875 -4.133 296 HA ASP 37 HA ASP 37 7.804 -13.644 -3.253 297 1HB ASP 37 2HB ASP 37 9.514 -12.000 -4.311 298 2HB ASP 37 1HB ASP 37 9.410 -11.129 -2.783 299 HA PRO 38 HA PRO 38 5.428 -12.072 0.321 300 1HB PRO 38 2HB PRO 38 5.058 -14.536 1.458 301 2HB PRO 38 1HB PRO 38 4.065 -13.922 0.122 302 1HG PRO 38 2HG PRO 38 6.391 -15.781 0.028 303 2HG PRO 38 1HG PRO 38 4.831 -15.884 -0.807 304 1HD PRO 38 1HD PRO 38 7.042 -15.005 -2.046 305 2HD PRO 38 2HD PRO 38 5.429 -14.348 -2.406 306 H SER 39 H SER 39 8.171 -14.386 0.483 307 HA SER 39 HA SER 39 8.709 -14.123 3.294 308 1HB SER 39 2HB SER 39 10.508 -14.835 0.959 309 2HB SER 39 1HB SER 39 10.900 -15.127 2.650 310 HG SER 39 HG SER 39 9.797 -16.897 2.433 311 H GLN 40 H GLN 40 9.959 -12.214 0.524 312 HA GLN 40 HA GLN 40 11.816 -10.713 2.243 313 1HB GLN 40 2HB GLN 40 11.934 -11.345 -0.310 314 2HB GLN 40 1HB GLN 40 10.935 -9.907 -0.528 315 1HG GLN 40 2HG GLN 40 13.142 -9.098 -0.742 316 2HG GLN 40 1HG GLN 40 12.708 -8.693 0.916 317 1HE2 GLN 40 1HE2 GLN 40 14.814 -10.703 -1.069 318 2HE2 GLN 40 2HE2 GLN 40 15.696 -11.370 0.217 319 H SER 41 H SER 41 8.470 -10.553 2.064 320 HA SER 41 HA SER 41 7.816 -7.873 1.554 321 1HB SER 41 2HB SER 41 5.814 -8.369 2.922 322 2HB SER 41 1HB SER 41 6.230 -9.750 1.918 323 HG SER 41 HG SER 41 6.555 -10.866 3.671 324 H ALA 42 H ALA 42 8.802 -9.208 4.805 325 HA ALA 42 HA ALA 42 8.542 -6.663 6.174 326 1HB ALA 42 2HB ALA 42 10.446 -8.972 6.589 327 2HB ALA 42 3HB ALA 42 8.845 -8.806 7.323 328 3HB ALA 42 1HB ALA 42 10.139 -7.686 7.756 329 H ASN 43 H ASN 43 11.352 -8.259 4.611 330 HA ASN 43 HA ASN 43 13.336 -6.257 5.000 331 1HB ASN 43 2HB ASN 43 12.807 -8.551 3.241 332 2HB ASN 43 1HB ASN 43 13.773 -7.288 2.468 333 1HD2 ASN 43 1HD2 ASN 43 13.707 -8.564 5.875 334 2HD2 ASN 43 2HD2 ASN 43 15.373 -8.880 5.931 335 H LEU 44 H LEU 44 10.774 -6.647 2.566 336 HA LEU 44 HA LEU 44 11.518 -4.494 0.833 337 1HB LEU 44 2HB LEU 44 8.987 -5.982 1.440 338 2HB LEU 44 1HB LEU 44 9.011 -4.660 0.272 339 HG LEU 44 HG LEU 44 10.865 -7.037 0.215 340 1HD1 LEU 44 2HD1 LEU 44 8.233 -7.102 -0.301 341 2HD1 LEU 44 1HD1 LEU 44 8.827 -6.571 -1.877 342 3HD1 LEU 44 3HD1 LEU 44 9.407 -8.087 -1.178 343 1HD2 LEU 44 1HD2 LEU 44 10.884 -4.408 -1.003 344 2HD2 LEU 44 3HD2 LEU 44 12.067 -5.725 -1.131 345 3HD2 LEU 44 2HD2 LEU 44 10.701 -5.680 -2.255 346 H LEU 45 H LEU 45 9.368 -4.663 3.673 347 HA LEU 45 HA LEU 45 8.706 -1.828 3.470 348 1HB LEU 45 2HB LEU 45 7.286 -3.252 4.731 349 2HB LEU 45 1HB LEU 45 8.624 -3.857 5.704 350 HG LEU 45 HG LEU 45 8.910 -1.735 6.778 351 1HD1 LEU 45 1HD1 LEU 45 6.960 -0.723 4.683 352 2HD1 LEU 45 3HD1 LEU 45 7.345 0.191 6.139 353 3HD1 LEU 45 2HD1 LEU 45 8.614 -0.169 4.969 354 1HD2 LEU 45 1HD2 LEU 45 7.043 -3.230 7.501 355 2HD2 LEU 45 3HD2 LEU 45 6.798 -1.533 7.920 356 3HD2 LEU 45 2HD2 LEU 45 5.939 -2.237 6.549 357 H ALA 46 H ALA 46 11.162 -3.734 5.282 358 HA ALA 46 HA ALA 46 12.455 -1.593 6.693 359 1HB ALA 46 1HB ALA 46 13.249 -4.235 5.478 360 2HB ALA 46 3HB ALA 46 14.515 -3.165 6.091 361 3HB ALA 46 2HB ALA 46 13.247 -3.745 7.181 362 H GLU 47 H GLU 47 13.132 -2.860 3.372 363 HA GLU 47 HA GLU 47 15.156 -0.874 2.841 364 1HB GLU 47 2HB GLU 47 15.003 -1.699 0.511 365 2HB GLU 47 1HB GLU 47 15.161 -3.010 1.668 366 1HG GLU 47 2HG GLU 47 12.647 -3.198 1.537 367 2HG GLU 47 1HG GLU 47 12.757 -2.139 0.133 368 H ALA 48 H ALA 48 11.600 -1.054 2.276 369 HA ALA 48 HA ALA 48 11.413 1.386 0.766 370 1HB ALA 48 2HB ALA 48 9.728 -0.424 1.069 371 2HB ALA 48 1HB ALA 48 9.537 0.082 2.755 372 3HB ALA 48 3HB ALA 48 9.073 1.167 1.437 373 H LYS 49 H LYS 49 11.469 0.642 4.255 374 HA LYS 49 HA LYS 49 10.939 3.358 5.154 375 1HB LYS 49 2HB LYS 49 11.546 0.665 6.207 376 2HB LYS 49 1HB LYS 49 12.101 1.974 7.237 377 1HG LYS 49 2HG LYS 49 9.957 2.780 7.601 378 2HG LYS 49 1HG LYS 49 9.373 2.207 6.039 379 1HD LYS 49 2HD LYS 49 8.351 0.729 7.507 380 2HD LYS 49 1HD LYS 49 9.802 -0.162 7.035 381 1HE LYS 49 2HE LYS 49 10.945 0.511 9.050 382 2HE LYS 49 1HE LYS 49 9.624 1.615 9.481 383 1HZ LYS 49 3HZ LYS 49 8.108 -0.274 9.566 384 2HZ LYS 49 2HZ LYS 49 9.368 -1.339 9.152 385 3HZ LYS 49 1HZ LYS 49 9.398 -0.520 10.639 386 H LYS 50 H LYS 50 13.707 1.321 4.486 387 HA LYS 50 HA LYS 50 15.879 2.974 5.371 388 1HB LYS 50 2HB LYS 50 16.307 0.693 4.893 389 2HB LYS 50 1HB LYS 50 15.328 0.735 3.447 390 1HG LYS 50 2HG LYS 50 17.252 2.385 2.608 391 2HG LYS 50 1HG LYS 50 18.188 1.483 3.801 392 1HD LYS 50 2HD LYS 50 16.450 0.088 1.737 393 2HD LYS 50 1HD LYS 50 18.140 0.507 1.417 394 1HE LYS 50 2HE LYS 50 18.782 -0.780 3.502 395 2HE LYS 50 1HE LYS 50 17.095 -1.323 3.613 396 1HZ LYS 50 1HZ LYS 50 17.275 -2.144 1.315 397 2HZ LYS 50 3HZ LYS 50 18.914 -1.704 1.283 398 3HZ LYS 50 2HZ LYS 50 18.380 -2.916 2.346 399 H LEU 51 H LEU 51 13.963 2.734 2.371 400 HA LEU 51 HA LEU 51 15.422 4.736 0.838 401 1HB LEU 51 2HB LEU 51 12.964 3.081 0.679 402 2HB LEU 51 1HB LEU 51 12.893 4.593 -0.211 403 HG LEU 51 HG LEU 51 14.583 3.972 -1.670 404 1HD1 LEU 51 3HD1 LEU 51 15.525 2.220 0.575 405 2HD1 LEU 51 2HD1 LEU 51 15.965 1.797 -1.079 406 3HD1 LEU 51 1HD1 LEU 51 16.446 3.358 -0.409 407 1HD2 LEU 51 1HD2 LEU 51 12.921 1.662 -0.792 408 2HD2 LEU 51 3HD2 LEU 51 12.887 2.553 -2.315 409 3HD2 LEU 51 2HD2 LEU 51 14.176 1.388 -2.005 410 H ASN 52 H ASN 52 12.561 4.720 2.932 411 HA ASN 52 HA ASN 52 11.492 7.276 2.433 412 1HB ASN 52 2HB ASN 52 10.549 5.381 3.792 413 2HB ASN 52 1HB ASN 52 11.676 5.807 5.078 414 1HD2 ASN 52 1HD2 ASN 52 10.977 7.376 6.531 415 2HD2 ASN 52 2HD2 ASN 52 9.653 8.407 6.278 416 H ASP 53 H ASP 53 14.115 6.295 4.669 417 HA ASP 53 HA ASP 53 14.543 9.074 5.597 418 1HB ASP 53 2HB ASP 53 16.005 6.457 6.075 419 2HB ASP 53 1HB ASP 53 16.371 7.971 6.898 420 H ALA 54 H ALA 54 16.243 6.704 3.502 421 HA ALA 54 HA ALA 54 18.595 8.292 2.993 422 1HB ALA 54 3HB ALA 54 18.910 6.677 1.161 423 2HB ALA 54 2HB ALA 54 18.322 5.843 2.602 424 3HB ALA 54 1HB ALA 54 17.215 6.198 1.275 425 H GLN 55 H GLN 55 15.637 7.803 1.002 426 HA GLN 55 HA GLN 55 16.274 9.802 -0.987 427 1HB GLN 55 2HB GLN 55 13.656 8.564 -0.095 428 2HB GLN 55 1HB GLN 55 13.845 9.553 -1.540 429 1HG GLN 55 2HG GLN 55 15.597 7.926 -2.343 430 2HG GLN 55 1HG GLN 55 15.192 6.888 -0.972 431 1HE2 GLN 55 1HE2 GLN 55 12.501 6.835 -0.824 432 2HE2 GLN 55 2HE2 GLN 55 11.787 6.354 -2.287 433 H ALA 56 H ALA 56 14.707 9.925 2.188 434 HA ALA 56 HA ALA 56 13.323 12.404 2.038 435 1HB ALA 56 3HB ALA 56 14.540 10.694 4.163 436 2HB ALA 56 1HB ALA 56 12.881 11.269 3.996 437 3HB ALA 56 2HB ALA 56 14.130 12.353 4.602 438 HA PRO 57 HA PRO 57 16.508 15.441 2.155 439 1HB PRO 57 2HB PRO 57 15.157 17.501 3.343 440 2HB PRO 57 1HB PRO 57 14.809 16.950 1.692 441 1HG PRO 57 2HG PRO 57 13.328 16.441 4.205 442 2HG PRO 57 1HG PRO 57 12.719 16.660 2.558 443 1HD PRO 57 1HD PRO 57 13.014 14.231 3.861 444 2HD PRO 57 2HD PRO 57 12.862 14.440 2.104 445 H LYS 58 H LYS 58 17.258 13.701 4.018 446 HA LYS 58 HA LYS 58 18.018 15.330 6.388 447 1HB LYS 58 2HB LYS 58 17.309 13.449 7.888 448 2HB LYS 58 1HB LYS 58 15.959 14.187 7.036 449 1HG LYS 58 2HG LYS 58 15.432 12.236 6.037 450 2HG LYS 58 1HG LYS 58 17.083 12.004 5.474 451 1HD LYS 58 2HD LYS 58 16.264 11.464 8.332 452 2HD LYS 58 1HD LYS 58 16.166 10.226 7.082 453 1HE LYS 58 2HE LYS 58 18.743 11.746 7.563 454 2HE LYS 58 1HE LYS 58 18.338 10.302 8.507 455 1HZ LYS 58 1HZ LYS 58 18.363 10.439 5.528 456 2HZ LYS 58 3HZ LYS 58 19.590 9.757 6.478 457 3HZ LYS 58 2HZ LYS 58 18.044 9.059 6.469 458 H1 VAL 1 2H VAL 1 -8.719 -11.848 -6.168 459 H2 VAL 1 1H VAL 1 -8.257 -11.763 -4.534 460 H3 VAL 1 3H VAL 1 -8.228 -10.371 -5.496 461 HA VAL 1 HA VAL 1 -5.983 -11.109 -5.252 462 HB VAL 1 HB VAL 1 -6.846 -13.433 -4.630 463 1HG1 VAL 1 3HG1 VAL 1 -8.167 -13.767 -6.748 464 2HG1 VAL 1 2HG1 VAL 1 -6.640 -13.925 -7.617 465 3HG1 VAL 1 1HG1 VAL 1 -7.073 -15.098 -6.374 466 1HG2 VAL 1 1HG2 VAL 1 -4.431 -12.846 -4.905 467 2HG2 VAL 1 3HG2 VAL 1 -4.779 -14.530 -5.298 468 3HG2 VAL 1 2HG2 VAL 1 -4.532 -13.355 -6.589 469 H ASP 2 H ASP 2 -4.475 -10.917 -7.008 470 HA ASP 2 HA ASP 2 -5.676 -10.762 -9.764 471 1HB ASP 2 2HB ASP 2 -4.199 -8.821 -8.088 472 2HB ASP 2 1HB ASP 2 -3.639 -8.928 -9.751 473 H ASN 3 H ASN 3 -4.068 -11.032 -11.521 474 HA ASN 3 HA ASN 3 -2.070 -13.114 -10.884 475 1HB ASN 3 2HB ASN 3 -3.712 -13.087 -12.853 476 2HB ASN 3 1HB ASN 3 -2.712 -11.813 -13.551 477 1HD2 ASN 3 1HD2 ASN 3 -0.838 -12.476 -14.690 478 2HD2 ASN 3 2HD2 ASN 3 -0.253 -14.070 -14.705 479 H LYS 4 H LYS 4 -0.719 -11.611 -9.580 480 HA LYS 4 HA LYS 4 1.183 -10.294 -9.237 481 1HB LYS 4 2HB LYS 4 1.548 -11.106 -12.139 482 2HB LYS 4 1HB LYS 4 2.804 -10.332 -11.176 483 1HG LYS 4 2HG LYS 4 2.721 -12.179 -9.549 484 2HG LYS 4 1HG LYS 4 1.439 -12.952 -10.482 485 1HD LYS 4 2HD LYS 4 3.401 -14.062 -11.196 486 2HD LYS 4 1HD LYS 4 3.094 -12.880 -12.467 487 1HE LYS 4 2HE LYS 4 5.358 -12.469 -12.081 488 2HE LYS 4 1HE LYS 4 4.653 -11.346 -10.905 489 1HZ LYS 4 3HZ LYS 4 5.410 -14.170 -10.326 490 2HZ LYS 4 2HZ LYS 4 6.322 -12.809 -9.883 491 3HZ LYS 4 1HZ LYS 4 4.783 -13.056 -9.211 492 H PHE 5 H PHE 5 -1.209 -8.759 -9.837 493 HA PHE 5 HA PHE 5 -0.356 -6.564 -11.650 494 1HB PHE 5 2HB PHE 5 -2.822 -7.324 -10.106 495 2HB PHE 5 1HB PHE 5 -2.646 -5.716 -10.772 496 HD1 PHE 5 HD1 PHE 5 -2.675 -5.305 -13.164 497 HD2 PHE 5 HD2 PHE 5 -2.939 -9.289 -11.601 498 HE1 PHE 5 HE1 PHE 5 -3.355 -6.134 -15.396 499 HE2 PHE 5 HE2 PHE 5 -3.622 -10.122 -13.832 500 HZ PHE 5 HZ PHE 5 -3.831 -8.546 -15.732 501 H ASN 6 H ASN 6 1.384 -5.633 -10.532 502 HA ASN 6 HA ASN 6 0.965 -4.729 -7.726 503 1HB ASN 6 2HB ASN 6 3.434 -4.533 -9.459 504 2HB ASN 6 1HB ASN 6 3.349 -4.476 -7.699 505 1HD2 ASN 6 1HD2 ASN 6 4.120 -6.578 -10.211 506 2HD2 ASN 6 2HD2 ASN 6 3.824 -8.052 -9.422 507 H LYS 7 H LYS 7 1.168 -3.528 -10.979 508 HA LYS 7 HA LYS 7 1.670 -0.739 -10.564 509 1HB LYS 7 2HB LYS 7 0.102 -2.334 -12.600 510 2HB LYS 7 1HB LYS 7 0.456 -0.614 -12.795 511 1HG LYS 7 2HG LYS 7 2.906 -1.145 -12.616 512 2HG LYS 7 1HG LYS 7 2.491 -2.859 -12.582 513 1HD LYS 7 2HD LYS 7 1.352 -2.595 -14.785 514 2HD LYS 7 1HD LYS 7 1.886 -0.915 -14.828 515 1HE LYS 7 2HE LYS 7 4.258 -1.684 -14.693 516 2HE LYS 7 1HE LYS 7 3.688 -3.365 -14.746 517 1HZ LYS 7 2HZ LYS 7 3.104 -1.281 -16.794 518 2HZ LYS 7 1HZ LYS 7 4.224 -2.546 -16.971 519 3HZ LYS 7 3HZ LYS 7 2.568 -2.895 -16.838 520 H GLU 8 H GLU 8 -1.227 -2.710 -10.438 521 HA GLU 8 HA GLU 8 -3.134 -0.582 -10.280 522 1HB GLU 8 2HB GLU 8 -4.680 -2.371 -9.762 523 2HB GLU 8 1HB GLU 8 -3.494 -3.026 -10.907 524 1HG GLU 8 2HG GLU 8 -2.255 -4.057 -9.141 525 2HG GLU 8 1HG GLU 8 -3.260 -3.307 -7.903 526 H LEU 9 H LEU 9 -1.261 -2.282 -7.780 527 HA LEU 9 HA LEU 9 -2.717 -0.943 -5.620 528 1HB LEU 9 2HB LEU 9 0.015 -2.159 -5.266 529 2HB LEU 9 1HB LEU 9 -1.301 -2.048 -4.149 530 HG LEU 9 HG LEU 9 -1.687 -3.738 -6.591 531 1HD1 LEU 9 3HD1 LEU 9 0.183 -4.183 -4.324 532 2HD1 LEU 9 2HD1 LEU 9 -0.911 -5.540 -4.655 533 3HD1 LEU 9 1HD1 LEU 9 0.168 -4.942 -5.922 534 1HD2 LEU 9 1HD2 LEU 9 -3.579 -3.096 -5.024 535 2HD2 LEU 9 3HD2 LEU 9 -3.285 -4.846 -5.087 536 3HD2 LEU 9 2HD2 LEU 9 -2.700 -3.902 -3.716 537 H SER 10 H SER 10 -0.065 -0.259 -7.726 538 HA SER 10 HA SER 10 1.373 1.689 -6.177 539 1HB SER 10 2HB SER 10 2.577 1.210 -8.050 540 2HB SER 10 1HB SER 10 1.186 0.604 -8.898 541 HG SER 10 HG SER 10 1.138 2.411 -9.955 542 H VAL 11 H VAL 11 -1.294 1.863 -8.591 543 HA VAL 11 HA VAL 11 -1.786 4.737 -8.129 544 HB VAL 11 HB VAL 11 -3.385 2.673 -9.692 545 1HG1 VAL 11 1HG1 VAL 11 -3.266 5.679 -9.629 546 2HG1 VAL 11 3HG1 VAL 11 -3.765 4.842 -11.099 547 3HG1 VAL 11 2HG1 VAL 11 -4.678 4.623 -9.606 548 1HG2 VAL 11 3HG2 VAL 11 -1.009 4.356 -10.568 549 2HG2 VAL 11 2HG2 VAL 11 -1.052 2.594 -10.439 550 3HG2 VAL 11 1HG2 VAL 11 -2.031 3.417 -11.657 551 H ALA 12 H ALA 12 -3.736 1.730 -7.713 552 HA ALA 12 HA ALA 12 -5.910 2.917 -6.283 553 1HB ALA 12 1HB ALA 12 -5.756 0.634 -7.421 554 2HB ALA 12 2HB ALA 12 -6.552 0.646 -5.848 555 3HB ALA 12 3HB ALA 12 -4.884 0.072 -5.985 556 H GLY 13 H GLY 13 -3.146 1.103 -5.065 557 1HA GLY 13 1HA GLY 13 -2.101 1.030 -3.009 558 2HA GLY 13 2HA GLY 13 -3.691 1.330 -2.310 559 H ARG 14 H ARG 14 -1.352 3.246 -4.236 560 HA ARG 14 HA ARG 14 -0.621 4.936 -2.113 561 1HB ARG 14 2HB ARG 14 0.478 4.683 -4.369 562 2HB ARG 14 1HB ARG 14 -0.734 5.798 -5.007 563 1HG ARG 14 2HG ARG 14 1.079 7.201 -4.411 564 2HG ARG 14 1HG ARG 14 -0.048 7.352 -3.069 565 1HD ARG 14 2HD ARG 14 1.461 5.192 -2.277 566 2HD ARG 14 1HD ARG 14 2.658 6.202 -3.104 567 HE ARG 14 HE ARG 14 0.991 7.083 -0.801 568 1HH1 ARG 14 1HH1 ARG 14 3.901 6.773 -0.403 569 2HH1 ARG 14 2HH1 ARG 14 4.506 8.374 -0.665 570 1HH2 ARG 14 1HH2 ARG 14 1.613 9.486 -2.268 571 2HH2 ARG 14 2HH2 ARG 14 3.200 9.922 -1.729 572 H GLU 15 H GLU 15 -3.357 5.440 -4.434 573 HA GLU 15 HA GLU 15 -4.046 8.093 -3.453 574 1HB GLU 15 2HB GLU 15 -5.544 5.917 -4.938 575 2HB GLU 15 1HB GLU 15 -6.261 7.490 -4.591 576 1HG GLU 15 2HG GLU 15 -4.373 8.592 -5.778 577 2HG GLU 15 1HG GLU 15 -3.715 7.003 -6.169 578 H ILE 16 H ILE 16 -5.244 4.831 -2.696 579 HA ILE 16 HA ILE 16 -7.246 5.399 -0.729 580 HB ILE 16 HB ILE 16 -5.320 3.104 -1.266 581 1HG1 ILE 16 2HG1 ILE 16 -8.317 3.307 -1.766 582 2HG1 ILE 16 1HG1 ILE 16 -7.118 3.769 -2.966 583 1HG2 ILE 16 2HG2 ILE 16 -7.420 3.396 0.841 584 2HG2 ILE 16 1HG2 ILE 16 -7.302 1.828 0.027 585 3HG2 ILE 16 3HG2 ILE 16 -5.905 2.499 0.884 586 1HD1 ILE 16 3HD1 ILE 16 -6.185 1.321 -2.397 587 2HD1 ILE 16 2HD1 ILE 16 -7.877 1.061 -1.978 588 3HD1 ILE 16 1HD1 ILE 16 -7.443 1.585 -3.606 589 H VAL 17 H VAL 17 -3.749 5.051 -0.510 590 HA VAL 17 HA VAL 17 -3.676 5.114 2.415 591 HB VAL 17 HB VAL 17 -2.322 3.850 0.602 592 1HG1 VAL 17 2HG1 VAL 17 -1.012 6.498 0.528 593 2HG1 VAL 17 1HG1 VAL 17 -0.063 5.033 0.290 594 3HG1 VAL 17 3HG1 VAL 17 -1.420 5.381 -0.765 595 1HG2 VAL 17 2HG2 VAL 17 -1.109 5.056 3.037 596 2HG2 VAL 17 1HG2 VAL 17 -1.856 3.452 2.851 597 3HG2 VAL 17 3HG2 VAL 17 -0.307 3.815 2.074 598 H THR 18 H THR 18 -3.668 7.604 -0.067 599 HA THR 18 HA THR 18 -2.501 9.528 1.935 600 HB THR 18 HB THR 18 -1.604 10.764 0.009 601 HG1 THR 18 HG1 THR 18 -2.726 10.401 -1.740 602 1HG2 THR 18 1HG2 THR 18 -0.622 8.499 1.081 603 2HG2 THR 18 3HG2 THR 18 -0.745 8.007 -0.603 604 3HG2 THR 18 2HG2 THR 18 0.219 9.416 -0.168 605 H LEU 19 H LEU 19 -5.576 8.886 0.686 606 HA LEU 19 HA LEU 19 -6.264 11.511 -0.306 607 1HB LEU 19 2HB LEU 19 -8.632 10.842 0.254 608 2HB LEU 19 1HB LEU 19 -7.746 9.778 -0.816 609 HG LEU 19 HG LEU 19 -7.522 9.056 2.031 610 1HD1 LEU 19 3HD1 LEU 19 -10.146 9.051 0.528 611 2HD1 LEU 19 2HD1 LEU 19 -9.854 8.138 2.009 612 3HD1 LEU 19 1HD1 LEU 19 -9.782 9.901 2.025 613 1HD2 LEU 19 2HD2 LEU 19 -8.074 7.718 -0.625 614 2HD2 LEU 19 1HD2 LEU 19 -6.746 7.433 0.491 615 3HD2 LEU 19 3HD2 LEU 19 -8.357 6.849 0.884 616 HA PRO 20 HA PRO 20 -6.034 14.203 3.035 617 1HB PRO 20 2HB PRO 20 -7.956 16.041 2.396 618 2HB PRO 20 1HB PRO 20 -6.409 15.880 1.543 619 1HG PRO 20 2HG PRO 20 -9.102 14.858 0.787 620 2HG PRO 20 1HG PRO 20 -7.850 15.595 -0.226 621 1HD PRO 20 1HD PRO 20 -8.287 12.916 -0.124 622 2HD PRO 20 2HD PRO 20 -6.687 13.630 -0.448 623 H ASN 21 H ASN 21 -9.491 13.273 2.525 624 HA ASN 21 HA ASN 21 -10.171 14.160 5.270 625 1HB ASN 21 2HB ASN 21 -11.717 12.711 3.128 626 2HB ASN 21 1HB ASN 21 -12.409 13.272 4.630 627 1HD2 ASN 21 1HD2 ASN 21 -13.722 14.319 2.657 628 2HD2 ASN 21 2HD2 ASN 21 -13.249 15.910 2.282 629 H LEU 22 H LEU 22 -8.558 11.438 4.296 630 HA LEU 22 HA LEU 22 -10.061 9.566 6.060 631 1HB LEU 22 2HB LEU 22 -9.058 9.342 3.564 632 2HB LEU 22 1HB LEU 22 -7.704 8.740 4.498 633 HG LEU 22 HG LEU 22 -9.429 7.267 5.703 634 1HD1 LEU 22 3HD1 LEU 22 -11.041 8.436 3.483 635 2HD1 LEU 22 2HD1 LEU 22 -11.257 6.717 3.802 636 3HD1 LEU 22 1HD1 LEU 22 -11.558 7.893 5.076 637 1HD2 LEU 22 1HD2 LEU 22 -7.903 6.976 3.309 638 2HD2 LEU 22 3HD2 LEU 22 -8.392 5.720 4.451 639 3HD2 LEU 22 2HD2 LEU 22 -9.424 6.114 3.076 640 H ASN 23 H ASN 23 -8.847 8.215 7.487 641 HA ASN 23 HA ASN 23 -6.231 9.373 8.414 642 1HB ASN 23 2HB ASN 23 -6.932 8.931 10.734 643 2HB ASN 23 1HB ASN 23 -8.068 10.003 9.933 644 1HD2 ASN 23 1HD2 ASN 23 -9.015 8.716 12.180 645 2HD2 ASN 23 2HD2 ASN 23 -10.088 7.473 11.753 646 H ASP 24 H ASP 24 -4.970 7.671 9.760 647 HA ASP 24 HA ASP 24 -4.201 5.567 8.169 648 1HB ASP 24 2HB ASP 24 -2.986 4.708 10.101 649 2HB ASP 24 1HB ASP 24 -2.910 6.460 10.025 650 HA PRO 25 HA PRO 25 -6.890 2.260 10.437 651 1HB PRO 25 2HB PRO 25 -9.408 3.029 11.213 652 2HB PRO 25 1HB PRO 25 -8.006 3.010 12.301 653 1HG PRO 25 2HG PRO 25 -9.219 5.298 10.826 654 2HG PRO 25 1HG PRO 25 -8.634 5.218 12.495 655 1HD PRO 25 1HD PRO 25 -7.178 6.343 10.547 656 2HD PRO 25 2HD PRO 25 -6.434 5.455 11.883 657 H GLN 26 H GLN 26 -8.621 4.797 8.487 658 HA GLN 26 HA GLN 26 -10.380 2.877 7.172 659 1HB GLN 26 2HB GLN 26 -9.424 5.581 6.178 660 2HB GLN 26 1HB GLN 26 -10.861 4.728 5.643 661 1HG GLN 26 2HG GLN 26 -10.351 6.049 8.294 662 2HG GLN 26 1HG GLN 26 -11.630 6.387 7.154 663 1HE2 GLN 26 1HE2 GLN 26 -11.386 5.296 10.117 664 2HE2 GLN 26 2HE2 GLN 26 -12.528 4.037 10.132 665 H LYS 27 H LYS 27 -7.502 4.665 5.957 666 HA LYS 27 HA LYS 27 -7.118 3.256 3.539 667 1HB LYS 27 2HB LYS 27 -4.637 3.829 3.960 668 2HB LYS 27 1HB LYS 27 -5.781 5.138 3.788 669 1HG LYS 27 2HG LYS 27 -5.861 4.936 6.450 670 2HG LYS 27 1HG LYS 27 -4.278 4.225 6.193 671 1HD LYS 27 2HD LYS 27 -3.925 6.571 6.464 672 2HD LYS 27 1HD LYS 27 -3.715 6.212 4.756 673 1HE LYS 27 2HE LYS 27 -6.474 6.787 5.047 674 2HE LYS 27 1HE LYS 27 -5.629 8.021 5.995 675 1HZ LYS 27 2HZ LYS 27 -4.073 8.185 4.000 676 2HZ LYS 27 1HZ LYS 27 -5.266 7.330 3.136 677 3HZ LYS 27 3HZ LYS 27 -5.628 8.842 3.816 678 H LYS 28 H LYS 28 -6.076 2.400 6.806 679 HA LYS 28 HA LYS 28 -4.418 0.168 6.236 680 1HB LYS 28 2HB LYS 28 -5.947 1.297 8.469 681 2HB LYS 28 1HB LYS 28 -6.040 -0.456 8.506 682 1HG LYS 28 2HG LYS 28 -3.421 0.863 8.059 683 2HG LYS 28 1HG LYS 28 -4.047 0.763 9.687 684 1HD LYS 28 2HD LYS 28 -3.968 -1.570 9.707 685 2HD LYS 28 1HD LYS 28 -4.012 -1.681 7.946 686 1HE LYS 28 2HE LYS 28 -1.757 -2.245 8.699 687 2HE LYS 28 1HE LYS 28 -1.699 -0.675 7.883 688 1HZ LYS 28 3HZ LYS 28 -2.062 -0.992 10.823 689 2HZ LYS 28 2HZ LYS 28 -0.553 -0.736 10.090 690 3HZ LYS 28 1HZ LYS 28 -1.763 0.447 9.976 691 H ALA 29 H ALA 29 -7.961 0.366 6.785 692 HA ALA 29 HA ALA 29 -8.644 -2.377 6.510 693 1HB ALA 29 3HB ALA 29 -10.895 -1.537 6.369 694 2HB ALA 29 2HB ALA 29 -10.006 -0.438 7.422 695 3HB ALA 29 1HB ALA 29 -10.338 0.019 5.752 696 H PHE 30 H PHE 30 -8.739 0.210 3.927 697 HA PHE 30 HA PHE 30 -9.416 -1.896 1.992 698 1HB PHE 30 2HB PHE 30 -8.605 0.451 0.579 699 2HB PHE 30 1HB PHE 30 -10.186 -0.281 0.683 700 HD1 PHE 30 HD1 PHE 30 -7.923 2.188 2.168 701 HD2 PHE 30 HD2 PHE 30 -11.938 0.729 1.991 702 HE1 PHE 30 HE1 PHE 30 -8.743 4.274 3.221 703 HE2 PHE 30 HE2 PHE 30 -12.749 2.783 3.050 704 HZ PHE 30 HZ PHE 30 -11.160 4.577 3.672 705 H ILE 31 H ILE 31 -6.376 -0.183 2.891 706 HA ILE 31 HA ILE 31 -4.904 -0.986 0.577 707 HB ILE 31 HB ILE 31 -4.060 -0.414 3.429 708 1HG1 ILE 31 2HG1 ILE 31 -4.230 1.095 0.870 709 2HG1 ILE 31 1HG1 ILE 31 -4.191 1.707 2.536 710 1HG2 ILE 31 1HG2 ILE 31 -2.581 -2.219 2.254 711 2HG2 ILE 31 3HG2 ILE 31 -2.083 -0.910 1.168 712 3HG2 ILE 31 2HG2 ILE 31 -1.764 -0.808 2.900 713 1HD1 ILE 31 1HD1 ILE 31 -1.802 0.678 1.020 714 2HD1 ILE 31 3HD1 ILE 31 -2.240 2.368 1.163 715 3HD1 ILE 31 2HD1 ILE 31 -1.806 1.471 2.612 716 H PHE 32 H PHE 32 -5.271 -2.671 3.749 717 HA PHE 32 HA PHE 32 -3.727 -4.979 3.042 718 1HB PHE 32 2HB PHE 32 -5.781 -4.308 5.129 719 2HB PHE 32 1HB PHE 32 -5.284 -5.977 4.951 720 HD1 PHE 32 HD1 PHE 32 -3.653 -6.620 6.543 721 HD2 PHE 32 HD2 PHE 32 -3.425 -2.606 4.818 722 HE1 PHE 32 HE1 PHE 32 -1.576 -6.160 7.744 723 HE2 PHE 32 HE2 PHE 32 -1.371 -2.244 6.075 724 HZ PHE 32 HZ PHE 32 -0.433 -4.017 7.485 725 H SER 33 H SER 33 -7.261 -4.326 2.661 726 HA SER 33 HA SER 33 -7.835 -6.953 1.513 727 1HB SER 33 2HB SER 33 -9.995 -5.913 0.937 728 2HB SER 33 1HB SER 33 -9.539 -5.500 2.582 729 HG SER 33 HG SER 33 -10.290 -3.726 1.248 730 H LEU 34 H LEU 34 -6.792 -3.816 0.211 731 HA LEU 34 HA LEU 34 -7.075 -4.364 -2.622 732 1HB LEU 34 2HB LEU 34 -6.820 -2.113 -1.898 733 2HB LEU 34 1HB LEU 34 -5.461 -2.480 -0.868 734 HG LEU 34 HG LEU 34 -4.283 -3.035 -3.144 735 1HD1 LEU 34 1HD1 LEU 34 -6.495 -2.784 -4.410 736 2HD1 LEU 34 3HD1 LEU 34 -6.382 -1.049 -4.093 737 3HD1 LEU 34 2HD1 LEU 34 -5.143 -1.857 -5.061 738 1HD2 LEU 34 3HD2 LEU 34 -3.854 -1.088 -1.521 739 2HD2 LEU 34 2HD2 LEU 34 -3.465 -0.768 -3.215 740 3HD2 LEU 34 1HD2 LEU 34 -4.960 -0.144 -2.526 741 H TRP 35 H TRP 35 -4.565 -4.975 -0.192 742 HA TRP 35 HA TRP 35 -2.534 -5.925 -2.017 743 1HB TRP 35 2HB TRP 35 -2.116 -5.024 0.246 744 2HB TRP 35 1HB TRP 35 -2.954 -6.413 0.953 745 HD1 TRP 35 HD1 TRP 35 -1.571 -8.508 1.314 746 HE1 TRP 35 HE1 TRP 35 0.687 -9.366 0.471 747 HE3 TRP 35 HE3 TRP 35 -0.421 -4.799 -1.941 748 HZ2 TRP 35 HZ2 TRP 35 2.764 -8.539 -1.336 749 HZ3 TRP 35 HZ3 TRP 35 1.689 -4.848 -3.220 750 HH2 TRP 35 HH2 TRP 35 3.263 -6.697 -2.927 751 H ASP 36 H ASP 36 -4.662 -7.692 0.305 752 HA ASP 36 HA ASP 36 -3.884 -10.322 -0.605 753 1HB ASP 36 2HB ASP 36 -4.947 -9.364 1.642 754 2HB ASP 36 1HB ASP 36 -6.460 -9.768 0.835 755 H ASP 37 H ASP 37 -6.757 -8.266 -1.186 756 HA ASP 37 HA ASP 37 -7.407 -10.035 -3.480 757 1HB ASP 37 2HB ASP 37 -9.170 -8.904 -1.303 758 2HB ASP 37 1HB ASP 37 -9.845 -9.459 -2.835 759 HA PRO 38 HA PRO 38 -6.913 -5.574 -4.852 760 1HB PRO 38 2HB PRO 38 -5.453 -6.223 -7.054 761 2HB PRO 38 1HB PRO 38 -4.727 -5.891 -5.474 762 1HG PRO 38 2HG PRO 38 -5.420 -8.529 -6.712 763 2HG PRO 38 1HG PRO 38 -3.917 -8.034 -5.911 764 1HD PRO 38 1HD PRO 38 -5.694 -9.478 -4.600 765 2HD PRO 38 2HD PRO 38 -4.863 -8.122 -3.796 766 H SER 39 H SER 39 -8.537 -8.376 -5.931 767 HA SER 39 HA SER 39 -9.264 -7.829 -8.629 768 1HB SER 39 2HB SER 39 -9.875 -9.679 -6.684 769 2HB SER 39 1HB SER 39 -11.393 -8.803 -6.807 770 HG SER 39 HG SER 39 -11.588 -9.402 -8.881 771 H GLN 40 H GLN 40 -10.405 -6.511 -5.550 772 HA GLN 40 HA GLN 40 -12.448 -4.758 -6.813 773 1HB GLN 40 2HB GLN 40 -11.559 -4.880 -3.925 774 2HB GLN 40 1HB GLN 40 -13.105 -4.318 -4.551 775 1HG GLN 40 2HG GLN 40 -13.423 -6.729 -5.405 776 2HG GLN 40 1HG GLN 40 -12.063 -7.133 -4.354 777 1HE2 GLN 40 1HE2 GLN 40 -12.487 -5.661 -2.080 778 2HE2 GLN 40 2HE2 GLN 40 -13.983 -6.047 -1.376 779 H SER 41 H SER 41 -9.285 -4.423 -7.058 780 HA SER 41 HA SER 41 -8.294 -2.263 -5.571 781 1HB SER 41 2HB SER 41 -7.065 -3.682 -7.141 782 2HB SER 41 1HB SER 41 -7.882 -2.904 -8.490 783 HG SER 41 HG SER 41 -5.665 -2.149 -7.617 784 H ALA 42 H ALA 42 -10.207 -2.047 -8.628 785 HA ALA 42 HA ALA 42 -10.148 0.839 -8.829 786 1HB ALA 42 1HB ALA 42 -12.192 -1.219 -9.763 787 2HB ALA 42 3HB ALA 42 -12.089 0.443 -10.349 788 3HB ALA 42 2HB ALA 42 -10.779 -0.690 -10.674 789 H ASN 43 H ASN 43 -12.446 -1.468 -7.354 790 HA ASN 43 HA ASN 43 -14.285 0.462 -6.296 791 1HB ASN 43 2HB ASN 43 -14.693 -1.983 -6.735 792 2HB ASN 43 1HB ASN 43 -13.659 -2.354 -5.357 793 1HD2 ASN 43 1HD2 ASN 43 -16.678 -0.568 -6.205 794 2HD2 ASN 43 2HD2 ASN 43 -17.378 -0.737 -4.669 795 H LEU 44 H LEU 44 -11.217 -0.894 -5.102 796 HA LEU 44 HA LEU 44 -11.509 -0.131 -2.321 797 1HB LEU 44 2HB LEU 44 -9.412 -1.097 -4.206 798 2HB LEU 44 1HB LEU 44 -8.860 -0.369 -2.701 799 HG LEU 44 HG LEU 44 -11.106 -2.292 -2.472 800 1HD1 LEU 44 2HD1 LEU 44 -8.668 -3.003 -3.857 801 2HD1 LEU 44 1HD1 LEU 44 -8.756 -3.855 -2.314 802 3HD1 LEU 44 3HD1 LEU 44 -10.067 -4.022 -3.481 803 1HD2 LEU 44 1HD2 LEU 44 -8.900 -1.121 -0.917 804 2HD2 LEU 44 3HD2 LEU 44 -10.470 -1.738 -0.380 805 3HD2 LEU 44 2HD2 LEU 44 -9.126 -2.854 -0.638 806 H LEU 45 H LEU 45 -9.734 1.261 -5.003 807 HA LEU 45 HA LEU 45 -8.750 3.640 -3.830 808 1HB LEU 45 2HB LEU 45 -8.004 2.866 -5.996 809 2HB LEU 45 1HB LEU 45 -9.645 2.876 -6.628 810 HG LEU 45 HG LEU 45 -9.727 5.254 -6.672 811 1HD1 LEU 45 2HD1 LEU 45 -7.417 5.012 -4.787 812 2HD1 LEU 45 1HD1 LEU 45 -7.500 6.439 -5.826 813 3HD1 LEU 45 3HD1 LEU 45 -8.826 6.078 -4.719 814 1HD2 LEU 45 3HD2 LEU 45 -8.399 4.226 -8.478 815 2HD2 LEU 45 2HD2 LEU 45 -7.775 5.823 -8.068 816 3HD2 LEU 45 1HD2 LEU 45 -6.941 4.375 -7.496 817 H ALA 46 H ALA 46 -11.833 2.932 -5.465 818 HA ALA 46 HA ALA 46 -12.993 5.554 -5.160 819 1HB ALA 46 1HB ALA 46 -13.752 3.875 -6.785 820 2HB ALA 46 3HB ALA 46 -14.142 2.763 -5.474 821 3HB ALA 46 2HB ALA 46 -15.079 4.245 -5.684 822 H GLU 47 H GLU 47 -13.186 2.513 -3.263 823 HA GLU 47 HA GLU 47 -15.014 3.265 -1.234 824 1HB GLU 47 2HB GLU 47 -14.005 0.984 -1.750 825 2HB GLU 47 1HB GLU 47 -12.526 1.527 -0.960 826 1HG GLU 47 2HG GLU 47 -13.845 1.951 1.118 827 2HG GLU 47 1HG GLU 47 -15.270 1.302 0.319 828 H ALA 48 H ALA 48 -11.544 3.835 -1.586 829 HA ALA 48 HA ALA 48 -11.005 4.951 1.014 830 1HB ALA 48 1HB ALA 48 -8.999 4.495 0.019 831 2HB ALA 48 2HB ALA 48 -9.173 6.045 -0.802 832 3HB ALA 48 3HB ALA 48 -9.698 4.545 -1.605 833 H LYS 49 H LYS 49 -11.531 6.506 -2.187 834 HA LYS 49 HA LYS 49 -11.603 9.229 -1.267 835 1HB LYS 49 2HB LYS 49 -12.872 7.837 -3.658 836 2HB LYS 49 1HB LYS 49 -12.734 9.586 -3.489 837 1HG LYS 49 2HG LYS 49 -10.263 9.363 -3.343 838 2HG LYS 49 1HG LYS 49 -10.420 7.621 -3.572 839 1HD LYS 49 2HD LYS 49 -11.650 8.137 -5.741 840 2HD LYS 49 1HD LYS 49 -11.140 9.812 -5.533 841 1HE LYS 49 2HE LYS 49 -8.752 8.539 -5.167 842 2HE LYS 49 1HE LYS 49 -9.534 7.437 -6.315 843 1HZ LYS 49 3HZ LYS 49 -10.075 9.340 -7.720 844 2HZ LYS 49 2HZ LYS 49 -9.296 10.390 -6.631 845 3HZ LYS 49 1HZ LYS 49 -8.399 9.225 -7.482 846 H LYS 50 H LYS 50 -14.275 6.899 -1.870 847 HA LYS 50 HA LYS 50 -16.450 8.653 -1.184 848 1HB LYS 50 2HB LYS 50 -16.097 5.638 -1.149 849 2HB LYS 50 1HB LYS 50 -17.653 6.431 -0.904 850 1HG LYS 50 2HG LYS 50 -17.471 7.508 -3.109 851 2HG LYS 50 1HG LYS 50 -15.895 6.760 -3.359 852 1HD LYS 50 2HD LYS 50 -16.993 4.514 -3.102 853 2HD LYS 50 1HD LYS 50 -18.553 5.333 -3.055 854 1HE LYS 50 2HE LYS 50 -18.379 6.056 -5.305 855 2HE LYS 50 1HE LYS 50 -16.625 5.790 -5.344 856 1HZ LYS 50 3HZ LYS 50 -17.021 3.410 -5.029 857 2HZ LYS 50 2HZ LYS 50 -18.702 3.675 -5.042 858 3HZ LYS 50 1HZ LYS 50 -17.780 3.970 -6.437 859 H LEU 51 H LEU 51 -14.541 6.345 0.786 860 HA LEU 51 HA LEU 51 -16.050 6.662 3.221 861 1HB LEU 51 2HB LEU 51 -14.429 4.821 2.530 862 2HB LEU 51 1HB LEU 51 -13.111 5.917 2.939 863 HG LEU 51 HG LEU 51 -15.327 5.399 4.910 864 1HD1 LEU 51 2HD1 LEU 51 -14.209 3.220 3.935 865 2HD1 LEU 51 1HD1 LEU 51 -12.852 3.704 4.953 866 3HD1 LEU 51 3HD1 LEU 51 -14.429 3.393 5.678 867 1HD2 LEU 51 3HD2 LEU 51 -13.697 7.171 5.398 868 2HD2 LEU 51 2HD2 LEU 51 -13.546 5.842 6.543 869 3HD2 LEU 51 1HD2 LEU 51 -12.386 6.006 5.229 870 H ASN 52 H ASN 52 -13.252 8.459 1.878 871 HA ASN 52 HA ASN 52 -12.492 9.992 4.149 872 1HB ASN 52 2HB ASN 52 -11.123 10.907 2.594 873 2HB ASN 52 1HB ASN 52 -11.807 9.742 1.491 874 1HD2 ASN 52 1HD2 ASN 52 -10.691 12.522 1.008 875 2HD2 ASN 52 2HD2 ASN 52 -11.931 13.367 0.214 876 H ASP 53 H ASP 53 -15.263 10.373 1.964 877 HA ASP 53 HA ASP 53 -16.074 13.001 2.751 878 1HB ASP 53 2HB ASP 53 -16.757 11.567 0.737 879 2HB ASP 53 1HB ASP 53 -17.844 10.716 1.837 880 H ALA 54 H ALA 54 -16.584 9.794 4.218 881 HA ALA 54 HA ALA 54 -18.854 10.484 5.881 882 1HB ALA 54 3HB ALA 54 -17.787 8.225 5.108 883 2HB ALA 54 2HB ALA 54 -16.766 8.413 6.535 884 3HB ALA 54 1HB ALA 54 -18.518 8.311 6.713 885 H GLN 55 H GLN 55 -15.328 10.612 6.392 886 HA GLN 55 HA GLN 55 -15.588 11.504 9.194 887 1HB GLN 55 2HB GLN 55 -13.340 10.994 7.235 888 2HB GLN 55 1HB GLN 55 -13.036 11.585 8.858 889 1HG GLN 55 2HG GLN 55 -13.997 9.627 9.859 890 2HG GLN 55 1HG GLN 55 -14.660 9.090 8.315 891 1HE2 GLN 55 1HE2 GLN 55 -12.532 9.330 6.577 892 2HE2 GLN 55 2HE2 GLN 55 -11.236 8.357 7.088 893 H ALA 56 H ALA 56 -14.776 12.905 6.010 894 HA ALA 56 HA ALA 56 -15.101 15.649 7.156 895 1HB ALA 56 3HB ALA 56 -12.721 14.302 6.129 896 2HB ALA 56 2HB ALA 56 -13.040 15.821 5.294 897 3HB ALA 56 1HB ALA 56 -12.841 15.805 7.046 898 HA PRO 57 HA PRO 57 -17.394 16.197 3.386 899 1HB PRO 57 2HB PRO 57 -17.348 18.921 3.165 900 2HB PRO 57 1HB PRO 57 -18.335 18.067 4.369 901 1HG PRO 57 2HG PRO 57 -15.753 19.485 4.698 902 2HG PRO 57 1HG PRO 57 -17.125 19.365 5.808 903 1HD PRO 57 1HD PRO 57 -14.793 17.910 6.027 904 2HD PRO 57 2HD PRO 57 -16.349 17.439 6.743 905 H LYS 58 H LYS 58 -16.987 16.473 1.153 906 HA LYS 58 HA LYS 58 -14.177 16.709 0.321 907 1HB LYS 58 2HB LYS 58 -16.823 16.190 -1.054 908 2HB LYS 58 1HB LYS 58 -15.333 16.389 -1.978 909 1HG LYS 58 2HG LYS 58 -14.296 14.550 -0.671 910 2HG LYS 58 1HG LYS 58 -15.815 14.326 0.194 911 1HD LYS 58 2HD LYS 58 -16.966 13.835 -1.930 912 2HD LYS 58 1HD LYS 58 -15.456 14.073 -2.810 913 1HE LYS 58 2HE LYS 58 -15.527 12.078 -0.555 914 2HE LYS 58 1HE LYS 58 -16.183 11.624 -2.138 915 1HZ LYS 58 2HZ LYS 58 -14.113 12.351 -3.172 916 2HZ LYS 58 1HZ LYS 58 -13.475 12.772 -1.653 917 3HZ LYS 58 3HZ LYS 58 -13.806 11.149 -2.012 No H/Q in entry = 917 Start of MODEL 8 1 H1 VAL 1 2H VAL 1 -2.953 -13.903 12.929 2 H2 VAL 1 1H VAL 1 -4.075 -14.755 13.875 3 H3 VAL 1 3H VAL 1 -3.860 -13.090 14.109 4 HA VAL 1 HA VAL 1 -1.722 -13.354 15.035 5 HB VAL 1 HB VAL 1 -3.847 -13.896 16.358 6 1HG1 VAL 1 1HG1 VAL 1 -4.223 -16.155 15.308 7 2HG1 VAL 1 3HG1 VAL 1 -2.803 -16.740 16.175 8 3HG1 VAL 1 2HG1 VAL 1 -4.216 -16.183 17.071 9 1HG2 VAL 1 3HG2 VAL 1 -1.637 -13.476 17.400 10 2HG2 VAL 1 2HG2 VAL 1 -2.577 -14.656 18.312 11 3HG2 VAL 1 1HG2 VAL 1 -1.261 -15.195 17.269 12 H ASP 2 H ASP 2 -2.842 -16.417 13.561 13 HA ASP 2 HA ASP 2 -0.205 -17.708 13.965 14 1HB ASP 2 2HB ASP 2 -1.351 -19.665 13.085 15 2HB ASP 2 1HB ASP 2 -2.425 -18.867 14.227 16 H ASN 3 H ASN 3 -1.314 -15.480 11.694 17 HA ASN 3 HA ASN 3 0.183 -16.736 9.423 18 1HB ASN 3 2HB ASN 3 -1.909 -14.533 9.566 19 2HB ASN 3 1HB ASN 3 -1.155 -15.098 8.081 20 1HD2 ASN 3 1HD2 ASN 3 -1.372 -17.636 7.764 21 2HD2 ASN 3 2HD2 ASN 3 -2.874 -18.303 8.194 22 H LYS 4 H LYS 4 2.220 -15.933 9.126 23 HA LYS 4 HA LYS 4 2.965 -13.299 10.292 24 1HB LYS 4 2HB LYS 4 4.355 -15.238 10.796 25 2HB LYS 4 1HB LYS 4 4.532 -15.611 9.084 26 1HG LYS 4 2HG LYS 4 5.820 -13.582 8.710 27 2HG LYS 4 1HG LYS 4 5.512 -13.034 10.359 28 1HD LYS 4 2HD LYS 4 7.742 -13.974 10.275 29 2HD LYS 4 1HD LYS 4 6.719 -15.082 11.188 30 1HE LYS 4 2HE LYS 4 6.763 -16.707 9.532 31 2HE LYS 4 1HE LYS 4 6.945 -15.518 8.229 32 1HZ LYS 4 2HZ LYS 4 9.022 -16.189 10.256 33 2HZ LYS 4 1HZ LYS 4 9.028 -16.697 8.637 34 3HZ LYS 4 3HZ LYS 4 9.189 -15.052 9.002 35 H PHE 5 H PHE 5 4.075 -14.832 7.226 36 HA PHE 5 HA PHE 5 4.526 -12.392 5.879 37 1HB PHE 5 2HB PHE 5 4.016 -15.197 4.874 38 2HB PHE 5 1HB PHE 5 4.548 -13.881 3.826 39 HD1 PHE 5 HD1 PHE 5 6.447 -12.388 5.483 40 HD2 PHE 5 HD2 PHE 5 5.856 -16.635 5.170 41 HE1 PHE 5 HE1 PHE 5 8.773 -12.767 6.235 42 HE2 PHE 5 HE2 PHE 5 8.188 -17.008 5.918 43 HZ PHE 5 HZ PHE 5 9.639 -15.073 6.458 44 H ASN 6 H ASN 6 1.491 -14.164 6.246 45 HA ASN 6 HA ASN 6 0.003 -13.145 4.043 46 1HB ASN 6 2HB ASN 6 -0.792 -13.775 6.909 47 2HB ASN 6 1HB ASN 6 -1.954 -13.496 5.614 48 1HD2 ASN 6 1HD2 ASN 6 -1.817 -15.056 3.699 49 2HD2 ASN 6 2HD2 ASN 6 -1.261 -16.633 3.987 50 H LYS 7 H LYS 7 0.297 -11.728 7.380 51 HA LYS 7 HA LYS 7 -0.794 -9.179 6.319 52 1HB LYS 7 2HB LYS 7 -1.647 -10.144 8.440 53 2HB LYS 7 1HB LYS 7 -0.046 -9.887 9.162 54 1HG LYS 7 2HG LYS 7 -0.870 -7.471 7.867 55 2HG LYS 7 1HG LYS 7 -2.221 -8.034 8.845 56 1HD LYS 7 2HD LYS 7 0.612 -7.708 9.869 57 2HD LYS 7 1HD LYS 7 -0.668 -6.513 10.070 58 1HE LYS 7 2HE LYS 7 -1.409 -7.613 11.907 59 2HE LYS 7 1HE LYS 7 -1.684 -9.067 10.931 60 1HZ LYS 7 1HZ LYS 7 0.938 -8.226 12.070 61 2HZ LYS 7 3HZ LYS 7 -0.041 -9.471 12.678 62 3HZ LYS 7 2HZ LYS 7 0.662 -9.621 11.139 63 H GLU 8 H GLU 8 2.373 -10.547 6.893 64 HA GLU 8 HA GLU 8 3.723 -8.056 7.584 65 1HB GLU 8 2HB GLU 8 4.594 -10.705 6.409 66 2HB GLU 8 1HB GLU 8 5.717 -9.355 6.542 67 1HG GLU 8 2HG GLU 8 4.175 -10.594 8.840 68 2HG GLU 8 1HG GLU 8 5.897 -10.835 8.491 69 H GLN 9 H GLN 9 2.928 -9.803 4.601 70 HA GLN 9 HA GLN 9 4.082 -7.979 2.721 71 1HB GLN 9 2HB GLN 9 1.712 -9.872 2.627 72 2HB GLN 9 1HB GLN 9 2.329 -9.013 1.222 73 1HG GLN 9 2HG GLN 9 4.466 -10.382 2.629 74 2HG GLN 9 1HG GLN 9 3.193 -11.498 2.137 75 1HE2 GLN 9 1HE2 GLN 9 2.512 -11.373 -0.233 76 2HE2 GLN 9 2HE2 GLN 9 3.680 -10.910 -1.374 77 H GLN 10 H GLN 10 0.960 -8.225 4.375 78 HA GLN 10 HA GLN 10 -0.455 -6.048 3.129 79 1HB GLN 10 2HB GLN 10 -0.802 -8.035 5.098 80 2HB GLN 10 1HB GLN 10 -1.088 -6.518 5.911 81 1HG GLN 10 2HG GLN 10 -3.175 -6.703 5.062 82 2HG GLN 10 1HG GLN 10 -2.437 -6.132 3.580 83 1HE2 GLN 10 1HE2 GLN 10 -2.848 -9.273 5.353 84 2HE2 GLN 10 2HE2 GLN 10 -3.195 -10.172 3.956 85 H ASN 11 H ASN 11 1.441 -6.236 6.152 86 HA ASN 11 HA ASN 11 1.175 -3.438 6.823 87 1HB ASN 11 2HB ASN 11 1.755 -5.441 8.327 88 2HB ASN 11 1HB ASN 11 3.383 -5.366 7.644 89 1HD2 ASN 11 1HD2 ASN 11 4.808 -3.778 8.499 90 2HD2 ASN 11 2HD2 ASN 11 4.340 -2.603 9.630 91 H ALA 12 H ALA 12 3.758 -5.365 5.234 92 HA ALA 12 HA ALA 12 5.611 -3.198 4.848 93 1HB ALA 12 1HB ALA 12 5.116 -5.903 3.601 94 2HB ALA 12 2HB ALA 12 6.471 -5.383 4.614 95 3HB ALA 12 3HB ALA 12 6.350 -4.821 2.943 96 H PHE 13 H PHE 13 3.019 -4.582 2.811 97 HA PHE 13 HA PHE 13 3.342 -2.948 0.483 98 1HB PHE 13 2HB PHE 13 1.855 -4.880 0.443 99 2HB PHE 13 1HB PHE 13 0.959 -4.288 1.837 100 HD1 PHE 13 HD1 PHE 13 -1.230 -3.745 1.179 101 HD2 PHE 13 HD2 PHE 13 2.072 -2.605 -1.315 102 HE1 PHE 13 HE1 PHE 13 -2.783 -2.657 -0.385 103 HE2 PHE 13 HE2 PHE 13 0.513 -1.524 -2.869 104 HZ PHE 13 HZ PHE 13 -1.912 -1.554 -2.402 105 H TYR 14 H TYR 14 1.105 -2.597 3.238 106 HA TYR 14 HA TYR 14 0.061 -0.038 2.741 107 1HB TYR 14 2HB TYR 14 -0.692 -1.640 4.418 108 2HB TYR 14 1HB TYR 14 0.792 -1.394 5.339 109 HD1 TYR 14 HD1 TYR 14 -2.369 0.168 4.215 110 HD2 TYR 14 HD2 TYR 14 1.175 0.628 6.594 111 HE1 TYR 14 HE1 TYR 14 -3.382 2.029 5.354 112 HE2 TYR 14 HE2 TYR 14 0.148 2.565 7.741 113 HH TYR 14 HH TYR 14 -2.487 3.243 8.182 114 H GLU 15 H GLU 15 2.851 -0.847 4.892 115 HA GLU 15 HA GLU 15 3.620 1.815 5.503 116 1HB GLU 15 2HB GLU 15 5.165 -0.786 5.330 117 2HB GLU 15 1HB GLU 15 5.862 0.702 5.961 118 1HG GLU 15 2HG GLU 15 3.397 -0.692 7.061 119 2HG GLU 15 1HG GLU 15 4.991 -0.694 7.803 120 H ILE 16 H ILE 16 4.660 -0.294 2.749 121 HA ILE 16 HA ILE 16 6.558 1.513 1.574 122 HB ILE 16 HB ILE 16 4.777 -0.729 0.685 123 1HG1 ILE 16 2HG1 ILE 16 7.626 -0.408 -0.080 124 2HG1 ILE 16 1HG1 ILE 16 7.288 -0.555 1.642 125 1HG2 ILE 16 2HG2 ILE 16 6.018 1.254 -1.215 126 2HG2 ILE 16 1HG2 ILE 16 5.825 -0.439 -1.673 127 3HG2 ILE 16 3HG2 ILE 16 4.409 0.532 -1.268 128 1HD1 ILE 16 3HD1 ILE 16 5.685 -2.515 0.519 129 2HD1 ILE 16 2HD1 ILE 16 7.167 -2.585 -0.450 130 3HD1 ILE 16 1HD1 ILE 16 7.259 -2.773 1.302 131 H LEU 17 H LEU 17 3.022 1.251 1.086 132 HA LEU 17 HA LEU 17 2.735 3.539 -0.674 133 1HB LEU 17 2HB LEU 17 0.786 2.241 1.264 134 2HB LEU 17 1HB LEU 17 0.340 3.364 -0.013 135 HG LEU 17 HG LEU 17 1.931 1.142 -1.035 136 1HD1 LEU 17 1HD1 LEU 17 0.003 0.475 0.940 137 2HD1 LEU 17 3HD1 LEU 17 -0.691 0.080 -0.641 138 3HD1 LEU 17 2HD1 LEU 17 0.858 -0.606 -0.160 139 1HD2 LEU 17 2HD2 LEU 17 0.183 2.885 -2.091 140 2HD2 LEU 17 1HD2 LEU 17 0.465 1.257 -2.765 141 3HD2 LEU 17 3HD2 LEU 17 -0.925 1.528 -1.693 142 H HIS 18 H HIS 18 2.576 3.181 2.882 143 HA HIS 18 HA HIS 18 1.851 6.013 3.296 144 1HB HIS 18 2HB HIS 18 2.286 3.595 5.067 145 2HB HIS 18 1HB HIS 18 1.938 5.189 5.729 146 HD1 HIS 18 HD1 HIS 18 -0.482 6.064 5.524 147 HD2 HIS 18 HD2 HIS 18 0.043 2.396 3.651 148 HE1 HIS 18 HE1 HIS 18 -2.769 5.157 4.868 149 H LEU 19 H LEU 19 4.874 4.613 2.694 150 HA LEU 19 HA LEU 19 6.476 5.765 4.811 151 1HB LEU 19 2HB LEU 19 6.934 4.616 2.083 152 2HB LEU 19 1HB LEU 19 8.227 5.589 2.769 153 HG LEU 19 HG LEU 19 6.943 3.228 4.186 154 1HD1 LEU 19 3HD1 LEU 19 9.508 3.456 2.598 155 2HD1 LEU 19 2HD1 LEU 19 9.121 2.089 3.645 156 3HD1 LEU 19 1HD1 LEU 19 8.131 2.419 2.228 157 1HD2 LEU 19 3HD2 LEU 19 8.032 5.000 5.632 158 2HD2 LEU 19 2HD2 LEU 19 8.784 3.410 5.761 159 3HD2 LEU 19 1HD2 LEU 19 9.543 4.672 4.788 160 HA PRO 20 HA PRO 20 6.224 10.020 3.711 161 1HB PRO 20 2HB PRO 20 8.542 10.954 4.829 162 2HB PRO 20 1HB PRO 20 7.102 10.512 5.768 163 1HG PRO 20 2HG PRO 20 9.585 8.950 5.264 164 2HG PRO 20 1HG PRO 20 8.647 9.123 6.756 165 1HD PRO 20 1HD PRO 20 8.480 6.939 5.172 166 2HD PRO 20 2HD PRO 20 7.106 7.534 6.131 167 H ASN 21 H ASN 21 9.156 8.229 2.654 168 HA ASN 21 HA ASN 21 9.531 10.379 0.584 169 1HB ASN 21 2HB ASN 21 11.649 8.568 1.757 170 2HB ASN 21 1HB ASN 21 11.910 9.952 0.711 171 1HD2 ASN 21 1HD2 ASN 21 11.488 12.122 1.635 172 2HD2 ASN 21 2HD2 ASN 21 11.463 12.343 3.316 173 H LEU 22 H LEU 22 8.261 7.318 0.729 174 HA LEU 22 HA LEU 22 9.657 6.167 -1.607 175 1HB LEU 22 2HB LEU 22 7.332 5.410 0.155 176 2HB LEU 22 1HB LEU 22 7.461 4.654 -1.423 177 HG LEU 22 HG LEU 22 9.058 4.202 1.025 178 1HD1 LEU 22 3HD1 LEU 22 8.396 2.640 -1.477 179 2HD1 LEU 22 2HD1 LEU 22 9.359 1.979 -0.146 180 3HD1 LEU 22 1HD1 LEU 22 7.677 2.449 0.124 181 1HD2 LEU 22 1HD2 LEU 22 10.401 4.389 -1.686 182 2HD2 LEU 22 3HD2 LEU 22 10.891 5.175 -0.174 183 3HD2 LEU 22 2HD2 LEU 22 11.047 3.419 -0.358 184 H ASN 23 H ASN 23 9.101 6.592 -3.684 185 HA ASN 23 HA ASN 23 6.671 8.276 -4.170 186 1HB ASN 23 2HB ASN 23 7.889 8.815 -6.342 187 2HB ASN 23 1HB ASN 23 8.658 9.381 -4.878 188 1HD2 ASN 23 1HD2 ASN 23 10.835 8.739 -4.559 189 2HD2 ASN 23 2HD2 ASN 23 11.617 7.552 -5.486 190 H GLU 24 H GLU 24 6.091 7.924 -6.728 191 HA GLU 24 HA GLU 24 4.601 5.504 -6.869 192 1HB GLU 24 2HB GLU 24 4.253 7.670 -8.136 193 2HB GLU 24 1HB GLU 24 5.605 7.218 -9.172 194 1HG GLU 24 2HG GLU 24 3.634 6.518 -10.332 195 2HG GLU 24 1HG GLU 24 4.338 5.049 -9.659 196 H GLU 25 H GLU 25 7.830 6.292 -8.195 197 HA GLU 25 HA GLU 25 8.174 3.790 -9.638 198 1HB GLU 25 2HB GLU 25 9.392 5.932 -10.057 199 2HB GLU 25 1HB GLU 25 10.215 5.742 -8.511 200 1HG GLU 25 2HG GLU 25 11.045 3.486 -9.358 201 2HG GLU 25 1HG GLU 25 10.435 3.954 -10.946 202 H GLN 26 H GLN 26 9.308 4.915 -6.403 203 HA GLN 26 HA GLN 26 10.663 2.426 -5.735 204 1HB GLN 26 2HB GLN 26 9.673 4.723 -4.014 205 2HB GLN 26 1HB GLN 26 10.807 3.483 -3.490 206 1HG GLN 26 2HG GLN 26 11.319 5.293 -5.870 207 2HG GLN 26 1HG GLN 26 11.869 5.662 -4.241 208 1HE2 GLN 26 1HE2 GLN 26 12.465 3.638 -7.058 209 2HE2 GLN 26 2HE2 GLN 26 13.860 2.890 -6.446 210 H ARG 27 H ARG 27 7.635 3.883 -4.449 211 HA ARG 27 HA ARG 27 6.799 1.722 -2.808 212 1HB ARG 27 2HB ARG 27 5.784 3.908 -2.692 213 2HB ARG 27 1HB ARG 27 5.342 3.880 -4.395 214 1HG ARG 27 2HG ARG 27 3.805 1.943 -3.875 215 2HG ARG 27 1HG ARG 27 4.132 2.226 -2.167 216 1HD ARG 27 2HD ARG 27 2.070 3.395 -2.802 217 2HD ARG 27 1HD ARG 27 3.330 4.595 -2.468 218 HE ARG 27 HE ARG 27 2.845 3.650 -5.274 219 1HH1 ARG 27 1HH1 ARG 27 4.643 5.919 -3.741 220 2HH1 ARG 27 2HH1 ARG 27 3.954 7.307 -4.511 221 1HH2 ARG 27 1HH2 ARG 27 1.299 5.551 -5.913 222 2HH2 ARG 27 2HH2 ARG 27 2.057 7.098 -5.743 223 H ASN 28 H ASN 28 5.935 2.350 -6.303 224 HA ASN 28 HA ASN 28 4.188 0.078 -6.632 225 1HB ASN 28 2HB ASN 28 4.337 2.106 -8.077 226 2HB ASN 28 1HB ASN 28 5.889 1.558 -8.637 227 1HD2 ASN 28 1HD2 ASN 28 4.051 1.935 -10.604 228 2HD2 ASN 28 2HD2 ASN 28 3.439 0.458 -11.179 229 H ALA 29 H ALA 29 7.648 0.518 -7.524 230 HA ALA 29 HA ALA 29 8.142 -2.114 -8.538 231 1HB ALA 29 1HB ALA 29 9.717 -0.350 -8.863 232 2HB ALA 29 2HB ALA 29 10.514 -1.501 -7.791 233 3HB ALA 29 3HB ALA 29 9.805 -0.024 -7.133 234 H PHE 30 H PHE 30 8.108 -0.797 -5.260 235 HA PHE 30 HA PHE 30 9.164 -3.067 -3.835 236 1HB PHE 30 2HB PHE 30 7.632 -0.563 -3.321 237 2HB PHE 30 1HB PHE 30 7.551 -1.818 -2.082 238 HD1 PHE 30 HD1 PHE 30 10.331 -0.724 -4.408 239 HD2 PHE 30 HD2 PHE 30 8.965 -1.386 -0.413 240 HE1 PHE 30 HE1 PHE 30 12.603 -0.210 -3.534 241 HE2 PHE 30 HE2 PHE 30 11.162 -0.857 0.415 242 HZ PHE 30 HZ PHE 30 13.008 -0.335 -1.105 243 H ILE 31 H ILE 31 5.875 -1.980 -4.608 244 HA ILE 31 HA ILE 31 4.463 -4.196 -3.396 245 HB ILE 31 HB ILE 31 3.823 -2.200 -5.585 246 1HG1 ILE 31 2HG1 ILE 31 2.780 -2.294 -2.775 247 2HG1 ILE 31 1HG1 ILE 31 4.330 -1.544 -3.110 248 1HG2 ILE 31 1HG2 ILE 31 2.396 -4.547 -4.698 249 2HG2 ILE 31 3HG2 ILE 31 1.499 -3.070 -4.362 250 3HG2 ILE 31 2HG2 ILE 31 2.015 -3.432 -6.002 251 1HD1 ILE 31 1HD1 ILE 31 1.732 -0.818 -4.476 252 2HD1 ILE 31 3HD1 ILE 31 2.446 0.069 -3.119 253 3HD1 ILE 31 2HD1 ILE 31 3.301 -0.006 -4.661 254 H GLN 32 H GLN 32 6.173 -3.758 -6.523 255 HA GLN 32 HA GLN 32 5.054 -6.165 -7.762 256 1HB GLN 32 2HB GLN 32 7.500 -4.436 -8.276 257 2HB GLN 32 1HB GLN 32 7.061 -5.802 -9.300 258 1HG GLN 32 2HG GLN 32 4.882 -4.776 -9.773 259 2HG GLN 32 1HG GLN 32 5.260 -3.427 -8.710 260 1HE2 GLN 32 1HE2 GLN 32 6.093 -4.934 -11.834 261 2HE2 GLN 32 2HE2 GLN 32 6.905 -3.579 -12.454 262 H SER 33 H SER 33 8.125 -5.408 -6.021 263 HA SER 33 HA SER 33 9.145 -8.128 -5.997 264 1HB SER 33 2HB SER 33 10.644 -7.150 -4.215 265 2HB SER 33 1HB SER 33 10.641 -6.272 -5.738 266 HG SER 33 HG SER 33 10.367 -4.754 -4.188 267 H LEU 34 H LEU 34 6.953 -6.328 -3.926 268 HA LEU 34 HA LEU 34 6.956 -8.233 -1.707 269 1HB LEU 34 2HB LEU 34 6.604 -5.757 -1.574 270 2HB LEU 34 1HB LEU 34 5.114 -5.937 -2.484 271 HG LEU 34 HG LEU 34 4.334 -7.498 -0.607 272 1HD1 LEU 34 2HD1 LEU 34 6.775 -6.283 0.664 273 2HD1 LEU 34 1HD1 LEU 34 5.443 -6.977 1.589 274 3HD1 LEU 34 3HD1 LEU 34 6.383 -7.996 0.496 275 1HD2 LEU 34 1HD2 LEU 34 3.780 -4.991 -0.956 276 2HD2 LEU 34 3HD2 LEU 34 3.485 -5.684 0.638 277 3HD2 LEU 34 2HD2 LEU 34 4.922 -4.704 0.356 278 H LYS 35 H LYS 35 4.580 -7.389 -4.311 279 HA LYS 35 HA LYS 35 2.650 -9.410 -3.627 280 1HB LYS 35 2HB LYS 35 3.216 -7.619 -5.960 281 2HB LYS 35 1HB LYS 35 2.139 -8.954 -6.240 282 1HG LYS 35 2HG LYS 35 1.239 -7.947 -3.839 283 2HG LYS 35 1HG LYS 35 1.634 -6.514 -4.788 284 1HD LYS 35 2HD LYS 35 0.028 -6.957 -6.375 285 2HD LYS 35 1HD LYS 35 0.152 -8.704 -6.169 286 1HE LYS 35 2HE LYS 35 -0.798 -7.472 -3.710 287 2HE LYS 35 1HE LYS 35 -1.840 -7.032 -5.073 288 1HZ LYS 35 1HZ LYS 35 -0.935 -9.797 -4.436 289 2HZ LYS 35 3HZ LYS 35 -2.474 -9.174 -4.085 290 3HZ LYS 35 2HZ LYS 35 -1.982 -9.352 -5.702 291 H ASP 36 H ASP 36 5.606 -9.540 -5.594 292 HA ASP 36 HA ASP 36 5.006 -12.256 -6.594 293 1HB ASP 36 2HB ASP 36 7.404 -10.404 -6.818 294 2HB ASP 36 1HB ASP 36 7.293 -11.962 -7.624 295 H ASP 37 H ASP 37 7.119 -10.764 -4.083 296 HA ASP 37 HA ASP 37 7.933 -13.533 -3.228 297 1HB ASP 37 2HB ASP 37 9.617 -11.703 -4.071 298 2HB ASP 37 1HB ASP 37 9.391 -11.004 -2.468 299 HA PRO 38 HA PRO 38 5.280 -12.313 0.255 300 1HB PRO 38 2HB PRO 38 5.085 -14.819 1.323 301 2HB PRO 38 1HB PRO 38 4.109 -14.264 -0.050 302 1HG PRO 38 2HG PRO 38 6.589 -15.915 -0.056 303 2HG PRO 38 1HG PRO 38 5.097 -16.116 -0.989 304 1HD PRO 38 1HD PRO 38 7.310 -15.013 -2.049 305 2HD PRO 38 2HD PRO 38 5.671 -14.508 -2.517 306 H SER 39 H SER 39 8.072 -14.547 0.661 307 HA SER 39 HA SER 39 8.474 -14.064 3.465 308 1HB SER 39 2HB SER 39 10.328 -15.015 1.266 309 2HB SER 39 1HB SER 39 10.701 -15.118 2.983 310 HG SER 39 HG SER 39 9.187 -16.628 3.235 311 H GLN 40 H GLN 40 9.728 -12.308 0.620 312 HA GLN 40 HA GLN 40 11.704 -10.799 2.169 313 1HB GLN 40 2HB GLN 40 11.511 -11.438 -0.409 314 2HB GLN 40 1HB GLN 40 10.632 -9.908 -0.493 315 1HG GLN 40 2HG GLN 40 12.613 -8.885 0.777 316 2HG GLN 40 1HG GLN 40 13.479 -10.373 0.405 317 1HE2 GLN 40 1HE2 GLN 40 13.151 -7.288 -0.725 318 2HE2 GLN 40 2HE2 GLN 40 13.404 -7.555 -2.382 319 H SER 41 H SER 41 8.333 -10.552 2.201 320 HA SER 41 HA SER 41 7.745 -7.849 1.751 321 1HB SER 41 2HB SER 41 5.821 -8.273 3.270 322 2HB SER 41 1HB SER 41 6.099 -9.622 2.182 323 HG SER 41 HG SER 41 6.562 -10.839 3.838 324 H ALA 42 H ALA 42 8.768 -9.210 4.989 325 HA ALA 42 HA ALA 42 8.701 -6.655 6.329 326 1HB ALA 42 2HB ALA 42 10.542 -9.022 6.682 327 2HB ALA 42 3HB ALA 42 8.971 -8.812 7.468 328 3HB ALA 42 1HB ALA 42 10.308 -7.728 7.857 329 H ASN 43 H ASN 43 11.364 -8.354 4.622 330 HA ASN 43 HA ASN 43 13.444 -6.422 4.909 331 1HB ASN 43 2HB ASN 43 12.759 -8.715 3.228 332 2HB ASN 43 1HB ASN 43 13.657 -7.476 2.338 333 1HD2 ASN 43 1HD2 ASN 43 13.886 -8.725 5.752 334 2HD2 ASN 43 2HD2 ASN 43 15.553 -9.030 5.670 335 H LEU 44 H LEU 44 10.740 -6.725 2.635 336 HA LEU 44 HA LEU 44 11.486 -4.605 0.858 337 1HB LEU 44 2HB LEU 44 8.965 -6.083 1.530 338 2HB LEU 44 1HB LEU 44 8.946 -4.741 0.381 339 HG LEU 44 HG LEU 44 10.855 -7.071 0.221 340 1HD1 LEU 44 2HD1 LEU 44 8.269 -7.383 -0.097 341 2HD1 LEU 44 1HD1 LEU 44 8.588 -6.638 -1.664 342 3HD1 LEU 44 3HD1 LEU 44 9.405 -8.137 -1.216 343 1HD2 LEU 44 1HD2 LEU 44 10.725 -4.455 -0.964 344 2HD2 LEU 44 3HD2 LEU 44 11.896 -5.759 -1.239 345 3HD2 LEU 44 2HD2 LEU 44 10.427 -5.694 -2.229 346 H LEU 45 H LEU 45 9.386 -4.723 3.756 347 HA LEU 45 HA LEU 45 8.794 -1.869 3.563 348 1HB LEU 45 2HB LEU 45 7.365 -3.231 4.865 349 2HB LEU 45 1HB LEU 45 8.705 -3.901 5.792 350 HG LEU 45 HG LEU 45 9.105 -1.799 6.874 351 1HD1 LEU 45 2HD1 LEU 45 7.154 -0.705 4.832 352 2HD1 LEU 45 1HD1 LEU 45 7.523 0.169 6.318 353 3HD1 LEU 45 3HD1 LEU 45 8.807 -0.166 5.152 354 1HD2 LEU 45 2HD2 LEU 45 7.241 -3.227 7.678 355 2HD2 LEU 45 1HD2 LEU 45 7.025 -1.520 8.078 356 3HD2 LEU 45 3HD2 LEU 45 6.119 -2.237 6.744 357 H ALA 46 H ALA 46 11.253 -3.830 5.300 358 HA ALA 46 HA ALA 46 12.650 -1.729 6.677 359 1HB ALA 46 2HB ALA 46 13.373 -4.365 5.383 360 2HB ALA 46 1HB ALA 46 14.640 -3.340 6.075 361 3HB ALA 46 3HB ALA 46 13.339 -3.950 7.105 362 H GLU 47 H GLU 47 13.166 -3.008 3.332 363 HA GLU 47 HA GLU 47 15.244 -1.095 2.733 364 1HB GLU 47 2HB GLU 47 15.004 -1.905 0.425 365 2HB GLU 47 1HB GLU 47 15.059 -3.251 1.554 366 1HG GLU 47 2HG GLU 47 12.626 -3.383 1.447 367 2HG GLU 47 1HG GLU 47 12.631 -2.078 0.273 368 H ALA 48 H ALA 48 11.664 -1.139 2.358 369 HA ALA 48 HA ALA 48 11.477 1.290 0.811 370 1HB ALA 48 3HB ALA 48 9.794 -0.616 1.505 371 2HB ALA 48 2HB ALA 48 9.527 0.379 2.935 372 3HB ALA 48 1HB ALA 48 9.176 1.022 1.310 373 H LYS 49 H LYS 49 11.625 0.545 4.293 374 HA LYS 49 HA LYS 49 11.291 3.245 5.277 375 1HB LYS 49 2HB LYS 49 12.067 0.519 6.231 376 2HB LYS 49 1HB LYS 49 12.395 1.869 7.303 377 1HG LYS 49 2HG LYS 49 10.121 2.485 7.426 378 2HG LYS 49 1HG LYS 49 9.721 1.620 5.943 379 1HD LYS 49 2HD LYS 49 8.874 0.225 7.605 380 2HD LYS 49 1HD LYS 49 10.446 -0.494 7.249 381 1HE LYS 49 2HE LYS 49 11.440 0.561 9.169 382 2HE LYS 49 1HE LYS 49 9.987 1.543 9.441 383 1HZ LYS 49 2HZ LYS 49 10.091 -1.438 9.513 384 2HZ LYS 49 1HZ LYS 49 10.007 -0.431 10.877 385 3HZ LYS 49 3HZ LYS 49 8.710 -0.483 9.785 386 H LYS 50 H LYS 50 13.936 1.133 4.384 387 HA LYS 50 HA LYS 50 16.211 2.710 5.147 388 1HB LYS 50 2HB LYS 50 16.484 0.396 4.664 389 2HB LYS 50 1HB LYS 50 15.494 0.508 3.227 390 1HG LYS 50 2HG LYS 50 17.466 2.054 2.363 391 2HG LYS 50 1HG LYS 50 18.387 1.149 3.566 392 1HD LYS 50 2HD LYS 50 16.596 -0.225 1.531 393 2HD LYS 50 1HD LYS 50 18.301 0.122 1.209 394 1HE LYS 50 2HE LYS 50 18.911 -1.165 3.283 395 2HE LYS 50 1HE LYS 50 17.200 -1.602 3.466 396 1HZ LYS 50 2HZ LYS 50 17.247 -2.510 1.201 397 2HZ LYS 50 1HZ LYS 50 18.905 -2.151 1.083 398 3HZ LYS 50 3HZ LYS 50 18.363 -3.301 2.207 399 H LEU 51 H LEU 51 14.123 2.522 2.250 400 HA LEU 51 HA LEU 51 15.538 4.466 0.614 401 1HB LEU 51 2HB LEU 51 13.002 2.934 0.643 402 2HB LEU 51 1HB LEU 51 12.893 4.480 -0.179 403 HG LEU 51 HG LEU 51 14.434 3.859 -1.825 404 1HD1 LEU 51 3HD1 LEU 51 15.462 1.979 0.258 405 2HD1 LEU 51 2HD1 LEU 51 15.679 1.540 -1.437 406 3HD1 LEU 51 1HD1 LEU 51 16.354 3.052 -0.821 407 1HD2 LEU 51 1HD2 LEU 51 12.624 1.685 -0.944 408 2HD2 LEU 51 3HD2 LEU 51 12.647 2.595 -2.454 409 3HD2 LEU 51 2HD2 LEU 51 13.813 1.296 -2.191 410 H ASN 52 H ASN 52 12.891 4.577 2.969 411 HA ASN 52 HA ASN 52 11.979 7.226 2.592 412 1HB ASN 52 2HB ASN 52 10.560 6.274 4.066 413 2HB ASN 52 1HB ASN 52 11.739 5.052 4.503 414 1HD2 ASN 52 1HD2 ASN 52 12.372 5.130 6.675 415 2HD2 ASN 52 2HD2 ASN 52 12.302 6.512 7.657 416 H ASP 53 H ASP 53 14.615 5.981 4.684 417 HA ASP 53 HA ASP 53 15.398 8.662 5.609 418 1HB ASP 53 2HB ASP 53 16.777 5.963 5.783 419 2HB ASP 53 1HB ASP 53 17.232 7.404 6.687 420 H ALA 54 H ALA 54 16.663 6.311 3.216 421 HA ALA 54 HA ALA 54 19.064 7.768 2.527 422 1HB ALA 54 3HB ALA 54 17.390 5.794 0.931 423 2HB ALA 54 2HB ALA 54 19.072 6.213 0.604 424 3HB ALA 54 1HB ALA 54 18.649 5.361 2.090 425 H GLN 55 H GLN 55 15.822 7.630 1.004 426 HA GLN 55 HA GLN 55 16.464 9.691 -0.990 427 1HB GLN 55 2HB GLN 55 13.872 8.359 -0.167 428 2HB GLN 55 1HB GLN 55 14.078 9.376 -1.588 429 1HG GLN 55 2HG GLN 55 15.806 7.787 -2.442 430 2HG GLN 55 1HG GLN 55 15.490 6.734 -1.058 431 1HE2 GLN 55 1HE2 GLN 55 12.823 6.563 -0.806 432 2HE2 GLN 55 2HE2 GLN 55 12.070 6.056 -2.240 433 H ALA 56 H ALA 56 15.596 9.800 2.330 434 HA ALA 56 HA ALA 56 13.749 11.979 2.436 435 1HB ALA 56 2HB ALA 56 15.348 12.139 4.711 436 2HB ALA 56 1HB ALA 56 13.880 11.176 4.545 437 3HB ALA 56 3HB ALA 56 15.456 10.438 4.243 438 HA PRO 57 HA PRO 57 16.218 15.467 1.526 439 1HB PRO 57 2HB PRO 57 14.905 17.376 2.990 440 2HB PRO 57 1HB PRO 57 14.266 16.693 1.480 441 1HG PRO 57 2HG PRO 57 13.587 16.003 4.300 442 2HG PRO 57 1HG PRO 57 12.522 16.188 2.896 443 1HD PRO 57 1HD PRO 57 13.307 13.776 3.837 444 2HD PRO 57 2HD PRO 57 12.958 14.070 2.120 445 H LYS 58 H LYS 58 15.601 14.677 4.941 446 HA LYS 58 HA LYS 58 18.322 15.724 5.634 447 1HB LYS 58 2HB LYS 58 16.417 17.284 6.236 448 2HB LYS 58 1HB LYS 58 15.805 16.025 7.310 449 1HG LYS 58 2HG LYS 58 17.963 16.047 8.537 450 2HG LYS 58 1HG LYS 58 18.534 17.344 7.487 451 1HD LYS 58 2HD LYS 58 16.566 18.724 8.232 452 2HD LYS 58 1HD LYS 58 16.174 17.453 9.390 453 1HE LYS 58 2HE LYS 58 17.490 18.806 10.750 454 2HE LYS 58 1HE LYS 58 18.766 17.795 10.048 455 1HZ LYS 58 1HZ LYS 58 19.038 19.423 8.271 456 2HZ LYS 58 3HZ LYS 58 17.825 20.401 8.949 457 3HZ LYS 58 2HZ LYS 58 19.282 20.152 9.786 458 H1 VAL 1 1H VAL 1 -1.826 -9.671 -22.077 459 H2 VAL 1 3H VAL 1 -3.250 -10.570 -21.881 460 H3 VAL 1 2H VAL 1 -3.315 -9.010 -22.552 461 HA VAL 1 HA VAL 1 -2.749 -7.979 -20.488 462 HB VAL 1 HB VAL 1 -4.806 -10.217 -20.279 463 1HG1 VAL 1 1HG1 VAL 1 -4.266 -7.860 -18.453 464 2HG1 VAL 1 3HG1 VAL 1 -5.827 -8.679 -18.505 465 3HG1 VAL 1 2HG1 VAL 1 -4.383 -9.564 -18.017 466 1HG2 VAL 1 3HG2 VAL 1 -4.914 -7.299 -21.085 467 2HG2 VAL 1 2HG2 VAL 1 -5.400 -8.704 -22.033 468 3HG2 VAL 1 1HG2 VAL 1 -6.359 -8.205 -20.641 469 H ASP 2 H ASP 2 -1.444 -8.081 -18.685 470 HA ASP 2 HA ASP 2 -0.040 -10.586 -18.044 471 1HB ASP 2 2HB ASP 2 1.323 -9.148 -16.649 472 2HB ASP 2 1HB ASP 2 0.987 -8.271 -18.137 473 H ASN 3 H ASN 3 0.156 -11.255 -15.668 474 HA ASN 3 HA ASN 3 -2.525 -11.094 -14.324 475 1HB ASN 3 2HB ASN 3 -0.390 -13.254 -14.427 476 2HB ASN 3 1HB ASN 3 -1.812 -13.346 -13.388 477 1HD2 ASN 3 1HD2 ASN 3 -3.998 -12.943 -14.713 478 2HD2 ASN 3 2HD2 ASN 3 -4.080 -13.719 -16.221 479 H LYS 4 H LYS 4 -0.706 -9.023 -13.837 480 HA LYS 4 HA LYS 4 0.142 -9.575 -11.007 481 1HB LYS 4 2HB LYS 4 1.550 -8.054 -13.224 482 2HB LYS 4 1HB LYS 4 2.026 -7.940 -11.532 483 1HG LYS 4 2HG LYS 4 2.333 -10.421 -11.492 484 2HG LYS 4 1HG LYS 4 1.976 -10.460 -13.220 485 1HD LYS 4 2HD LYS 4 3.881 -8.910 -13.623 486 2HD LYS 4 1HD LYS 4 4.264 -8.964 -11.903 487 1HE LYS 4 2HE LYS 4 3.993 -11.609 -13.250 488 2HE LYS 4 1HE LYS 4 5.412 -10.644 -13.691 489 1HZ LYS 4 1HZ LYS 4 4.540 -11.227 -10.902 490 2HZ LYS 4 3HZ LYS 4 5.820 -12.000 -11.703 491 3HZ LYS 4 2HZ LYS 4 5.919 -10.340 -11.355 492 H PHE 5 H PHE 5 -1.033 -8.307 -9.653 493 HA PHE 5 HA PHE 5 -2.237 -5.765 -10.651 494 1HB PHE 5 2HB PHE 5 -2.846 -7.861 -8.655 495 2HB PHE 5 1HB PHE 5 -3.205 -6.220 -8.133 496 HD1 PHE 5 HD1 PHE 5 -4.948 -4.906 -9.177 497 HD2 PHE 5 HD2 PHE 5 -3.938 -8.805 -10.676 498 HE1 PHE 5 HE1 PHE 5 -7.003 -4.907 -10.560 499 HE2 PHE 5 HE2 PHE 5 -5.996 -8.803 -12.059 500 HZ PHE 5 HZ PHE 5 -7.528 -6.855 -12.000 501 H ASN 6 H ASN 6 0.660 -6.528 -9.248 502 HA ASN 6 HA ASN 6 0.867 -4.846 -6.958 503 1HB ASN 6 2HB ASN 6 3.385 -4.780 -7.753 504 2HB ASN 6 1HB ASN 6 2.682 -6.276 -7.172 505 1HD2 ASN 6 1HD2 ASN 6 3.650 -7.896 -8.440 506 2HD2 ASN 6 2HD2 ASN 6 3.730 -7.868 -10.135 507 H LYS 7 H LYS 7 1.232 -4.113 -10.368 508 HA LYS 7 HA LYS 7 2.145 -1.400 -10.159 509 1HB LYS 7 2HB LYS 7 0.471 -2.905 -12.183 510 2HB LYS 7 1HB LYS 7 1.109 -1.285 -12.481 511 1HG LYS 7 2HG LYS 7 3.421 -2.165 -12.072 512 2HG LYS 7 1HG LYS 7 2.740 -3.784 -11.922 513 1HD LYS 7 2HD LYS 7 1.792 -3.549 -14.227 514 2HD LYS 7 1HD LYS 7 2.627 -2.001 -14.371 515 1HE LYS 7 2HE LYS 7 4.200 -4.451 -13.582 516 2HE LYS 7 1HE LYS 7 3.807 -4.170 -15.288 517 1HZ LYS 7 1HZ LYS 7 4.726 -1.933 -15.100 518 2HZ LYS 7 3HZ LYS 7 5.119 -2.206 -13.471 519 3HZ LYS 7 2HZ LYS 7 5.896 -3.093 -14.692 520 H GLU 8 H GLU 8 -1.050 -2.834 -10.105 521 HA GLU 8 HA GLU 8 -2.512 -0.350 -10.109 522 1HB GLU 8 2HB GLU 8 -3.044 -3.239 -9.541 523 2HB GLU 8 1HB GLU 8 -4.269 -2.053 -9.082 524 1HG GLU 8 2HG GLU 8 -4.967 -2.355 -11.225 525 2HG GLU 8 1HG GLU 8 -3.692 -1.193 -11.572 526 H LEU 9 H LEU 9 -1.117 -2.324 -7.533 527 HA LEU 9 HA LEU 9 -2.478 -0.943 -5.391 528 1HB LEU 9 2HB LEU 9 0.249 -2.185 -5.133 529 2HB LEU 9 1HB LEU 9 -0.962 -1.962 -3.927 530 HG LEU 9 HG LEU 9 -1.497 -3.750 -6.269 531 1HD1 LEU 9 1HD1 LEU 9 0.332 -4.152 -4.030 532 2HD1 LEU 9 3HD1 LEU 9 -0.973 -5.339 -4.011 533 3HD1 LEU 9 2HD1 LEU 9 0.066 -5.195 -5.433 534 1HD2 LEU 9 2HD2 LEU 9 -2.677 -3.350 -3.496 535 2HD2 LEU 9 1HD2 LEU 9 -3.473 -3.066 -5.048 536 3HD2 LEU 9 3HD2 LEU 9 -3.093 -4.714 -4.530 537 H SER 10 H SER 10 0.343 -0.144 -7.340 538 HA SER 10 HA SER 10 1.526 1.757 -5.524 539 1HB SER 10 2HB SER 10 2.797 2.363 -7.405 540 2HB SER 10 1HB SER 10 2.395 0.681 -7.697 541 HG SER 10 HG SER 10 1.753 2.908 -9.108 542 H VAL 11 H VAL 11 -0.906 2.063 -8.138 543 HA VAL 11 HA VAL 11 -1.419 4.917 -7.511 544 HB VAL 11 HB VAL 11 -2.801 3.037 -9.460 545 1HG1 VAL 11 1HG1 VAL 11 -2.437 6.048 -9.395 546 2HG1 VAL 11 3HG1 VAL 11 -3.197 5.150 -10.710 547 3HG1 VAL 11 2HG1 VAL 11 -3.941 5.170 -9.111 548 1HG2 VAL 11 1HG2 VAL 11 -0.262 4.676 -9.814 549 2HG2 VAL 11 3HG2 VAL 11 -0.398 2.915 -9.888 550 3HG2 VAL 11 2HG2 VAL 11 -1.145 3.919 -11.140 551 H ALA 12 H ALA 12 -3.339 1.880 -7.614 552 HA ALA 12 HA ALA 12 -5.718 2.879 -6.408 553 1HB ALA 12 3HB ALA 12 -5.193 0.647 -7.669 554 2HB ALA 12 1HB ALA 12 -6.363 0.602 -6.345 555 3HB ALA 12 2HB ALA 12 -4.704 0.051 -6.073 556 H GLY 13 H GLY 13 -2.989 1.179 -4.971 557 1HA GLY 13 1HA GLY 13 -2.237 0.966 -2.792 558 2HA GLY 13 2HA GLY 13 -3.904 1.214 -2.274 559 H ARG 14 H ARG 14 -1.385 3.256 -3.827 560 HA ARG 14 HA ARG 14 -0.951 4.903 -1.576 561 1HB ARG 14 2HB ARG 14 0.476 4.778 -3.598 562 2HB ARG 14 1HB ARG 14 -0.747 5.680 -4.499 563 1HG ARG 14 2HG ARG 14 0.553 7.447 -3.814 564 2HG ARG 14 1HG ARG 14 -0.514 7.326 -2.421 565 1HD ARG 14 2HD ARG 14 1.571 5.514 -1.901 566 2HD ARG 14 1HD ARG 14 2.348 6.987 -2.510 567 HE ARG 14 HE ARG 14 0.427 6.913 -0.229 568 1HH1 ARG 14 1HH1 ARG 14 2.945 7.475 0.852 569 2HH1 ARG 14 2HH1 ARG 14 3.179 9.183 0.675 570 1HH2 ARG 14 1HH2 ARG 14 0.692 9.543 -1.738 571 2HH2 ARG 14 2HH2 ARG 14 1.893 10.360 -0.799 572 H GLU 15 H GLU 15 -3.415 5.372 -4.196 573 HA GLU 15 HA GLU 15 -4.333 7.976 -3.332 574 1HB GLU 15 2HB GLU 15 -5.590 5.643 -4.808 575 2HB GLU 15 1HB GLU 15 -6.495 7.120 -4.489 576 1HG GLU 15 2HG GLU 15 -3.843 7.006 -5.960 577 2HG GLU 15 1HG GLU 15 -5.419 7.139 -6.737 578 H ILE 16 H ILE 16 -5.283 4.677 -2.470 579 HA ILE 16 HA ILE 16 -7.339 5.271 -0.549 580 HB ILE 16 HB ILE 16 -5.535 2.923 -1.228 581 1HG1 ILE 16 2HG1 ILE 16 -8.535 3.109 -1.449 582 2HG1 ILE 16 1HG1 ILE 16 -7.501 3.831 -2.677 583 1HG2 ILE 16 2HG2 ILE 16 -7.450 3.221 1.035 584 2HG2 ILE 16 1HG2 ILE 16 -7.416 1.674 0.175 585 3HG2 ILE 16 3HG2 ILE 16 -5.953 2.295 0.952 586 1HD1 ILE 16 1HD1 ILE 16 -6.398 1.322 -2.390 587 2HD1 ILE 16 3HD1 ILE 16 -8.119 1.011 -2.168 588 3HD1 ILE 16 2HD1 ILE 16 -7.549 1.793 -3.645 589 H VAL 17 H VAL 17 -3.823 5.222 -0.413 590 HA VAL 17 HA VAL 17 -3.527 5.136 2.493 591 HB VAL 17 HB VAL 17 -1.765 5.658 0.092 592 1HG1 VAL 17 3HG1 VAL 17 -1.170 6.327 2.913 593 2HG1 VAL 17 2HG1 VAL 17 0.081 5.454 2.032 594 3HG1 VAL 17 1HG1 VAL 17 -0.510 7.001 1.425 595 1HG2 VAL 17 1HG2 VAL 17 -2.382 3.409 1.857 596 2HG2 VAL 17 3HG2 VAL 17 -1.670 3.437 0.227 597 3HG2 VAL 17 2HG2 VAL 17 -0.650 3.688 1.640 598 H THR 18 H THR 18 -3.506 7.725 -0.015 599 HA THR 18 HA THR 18 -3.399 9.725 2.210 600 HB THR 18 HB THR 18 -1.283 9.371 0.989 601 HG1 THR 18 HG1 THR 18 -1.387 11.380 1.715 602 1HG2 THR 18 1HG2 THR 18 -3.018 9.497 -1.329 603 2HG2 THR 18 3HG2 THR 18 -1.730 10.697 -1.458 604 3HG2 THR 18 2HG2 THR 18 -1.329 8.993 -1.228 605 H LEU 19 H LEU 19 -5.950 8.827 0.684 606 HA LEU 19 HA LEU 19 -6.717 10.963 -1.106 607 1HB LEU 19 2HB LEU 19 -9.069 10.268 -0.432 608 2HB LEU 19 1HB LEU 19 -8.040 9.006 -1.084 609 HG LEU 19 HG LEU 19 -7.801 9.226 1.818 610 1HD1 LEU 19 2HD1 LEU 19 -10.485 8.917 0.505 611 2HD1 LEU 19 1HD1 LEU 19 -10.141 8.113 2.034 612 3HD1 LEU 19 3HD1 LEU 19 -10.046 9.873 1.924 613 1HD2 LEU 19 3HD2 LEU 19 -8.051 7.186 -0.331 614 2HD2 LEU 19 2HD2 LEU 19 -7.060 7.175 1.121 615 3HD2 LEU 19 1HD2 LEU 19 -8.757 6.722 1.219 616 HA PRO 20 HA PRO 20 -7.150 14.618 1.139 617 1HB PRO 20 2HB PRO 20 -9.668 15.560 0.563 618 2HB PRO 20 1HB PRO 20 -8.288 15.600 -0.553 619 1HG PRO 20 2HG PRO 20 -10.492 13.585 -0.357 620 2HG PRO 20 1HG PRO 20 -9.838 14.394 -1.793 621 1HD PRO 20 1HD PRO 20 -9.091 11.921 -1.212 622 2HD PRO 20 2HD PRO 20 -7.893 13.100 -1.797 623 H ASN 21 H ASN 21 -9.936 12.481 2.039 624 HA ASN 21 HA ASN 21 -10.009 14.017 4.652 625 1HB ASN 21 2HB ASN 21 -12.180 12.694 3.049 626 2HB ASN 21 1HB ASN 21 -12.432 13.354 4.648 627 1HD2 ASN 21 1HD2 ASN 21 -13.913 14.312 2.487 628 2HD2 ASN 21 2HD2 ASN 21 -13.444 15.911 2.152 629 H LEU 22 H LEU 22 -8.484 11.428 4.117 630 HA LEU 22 HA LEU 22 -10.095 9.606 5.874 631 1HB LEU 22 2HB LEU 22 -9.128 9.136 3.457 632 2HB LEU 22 1HB LEU 22 -7.698 8.726 4.385 633 HG LEU 22 HG LEU 22 -9.247 7.283 5.823 634 1HD1 LEU 22 3HD1 LEU 22 -11.329 8.364 4.692 635 2HD1 LEU 22 2HD1 LEU 22 -10.991 7.260 3.361 636 3HD1 LEU 22 1HD1 LEU 22 -11.343 6.623 4.964 637 1HD2 LEU 22 2HD2 LEU 22 -7.638 6.722 3.751 638 2HD2 LEU 22 1HD2 LEU 22 -8.597 5.492 4.571 639 3HD2 LEU 22 3HD2 LEU 22 -9.173 6.189 3.061 640 H ASN 23 H ASN 23 -9.029 8.378 7.451 641 HA ASN 23 HA ASN 23 -6.457 9.576 8.476 642 1HB ASN 23 2HB ASN 23 -7.270 9.172 10.745 643 2HB ASN 23 1HB ASN 23 -8.438 10.136 9.856 644 1HD2 ASN 23 1HD2 ASN 23 -9.179 8.631 12.184 645 2HD2 ASN 23 2HD2 ASN 23 -10.229 7.388 11.699 646 H ASP 24 H ASP 24 -5.106 8.023 9.772 647 HA ASP 24 HA ASP 24 -4.195 5.894 8.324 648 1HB ASP 24 2HB ASP 24 -2.970 5.200 10.315 649 2HB ASP 24 1HB ASP 24 -2.997 6.948 10.143 650 HA PRO 25 HA PRO 25 -6.648 2.478 10.666 651 1HB PRO 25 2HB PRO 25 -9.221 3.068 11.412 652 2HB PRO 25 1HB PRO 25 -7.828 3.206 12.505 653 1HG PRO 25 2HG PRO 25 -9.223 5.330 10.942 654 2HG PRO 25 1HG PRO 25 -8.642 5.360 12.616 655 1HD PRO 25 1HD PRO 25 -7.282 6.529 10.619 656 2HD PRO 25 2HD PRO 25 -6.473 5.772 11.998 657 H GLN 26 H GLN 26 -8.547 4.834 8.708 658 HA GLN 26 HA GLN 26 -10.190 2.831 7.387 659 1HB GLN 26 2HB GLN 26 -9.417 5.600 6.422 660 2HB GLN 26 1HB GLN 26 -10.850 4.691 5.964 661 1HG GLN 26 2HG GLN 26 -10.315 5.454 8.834 662 2HG GLN 26 1HG GLN 26 -11.117 6.556 7.730 663 1HE2 GLN 26 1HE2 GLN 26 -13.082 6.456 8.920 664 2HE2 GLN 26 2HE2 GLN 26 -14.081 5.078 8.908 665 H LYS 27 H LYS 27 -7.426 4.798 6.160 666 HA LYS 27 HA LYS 27 -7.038 3.529 3.675 667 1HB LYS 27 2HB LYS 27 -4.558 4.160 4.082 668 2HB LYS 27 1HB LYS 27 -5.755 5.442 4.011 669 1HG LYS 27 2HG LYS 27 -5.775 5.059 6.665 670 2HG LYS 27 1HG LYS 27 -4.171 4.436 6.333 671 1HD LYS 27 2HD LYS 27 -4.059 6.836 6.828 672 2HD LYS 27 1HD LYS 27 -3.597 6.531 5.165 673 1HE LYS 27 2HE LYS 27 -5.707 7.312 4.323 674 2HE LYS 27 1HE LYS 27 -6.411 7.349 5.947 675 1HZ LYS 27 1HZ LYS 27 -4.051 8.943 5.081 676 2HZ LYS 27 3HZ LYS 27 -5.627 9.550 5.217 677 3HZ LYS 27 2HZ LYS 27 -4.809 9.011 6.603 678 H LYS 28 H LYS 28 -5.813 2.547 6.846 679 HA LYS 28 HA LYS 28 -4.170 0.343 6.066 680 1HB LYS 28 2HB LYS 28 -5.711 1.295 8.457 681 2HB LYS 28 1HB LYS 28 -5.385 -0.431 8.448 682 1HG LYS 28 2HG LYS 28 -3.094 1.266 7.749 683 2HG LYS 28 1HG LYS 28 -3.660 1.444 9.397 684 1HD LYS 28 2HD LYS 28 -3.113 -0.713 9.970 685 2HD LYS 28 1HD LYS 28 -3.435 -1.332 8.349 686 1HE LYS 28 2HE LYS 28 -1.071 -1.485 8.586 687 2HE LYS 28 1HE LYS 28 -1.334 -0.022 7.627 688 1HZ LYS 28 2HZ LYS 28 -1.025 -0.100 10.592 689 2HZ LYS 28 1HZ LYS 28 0.183 0.379 9.499 690 3HZ LYS 28 3HZ LYS 28 -1.233 1.300 9.648 691 H ALA 29 H ALA 29 -7.669 0.520 6.903 692 HA ALA 29 HA ALA 29 -8.377 -2.211 6.731 693 1HB ALA 29 1HB ALA 29 -10.624 -1.381 6.693 694 2HB ALA 29 3HB ALA 29 -9.681 -0.213 7.616 695 3HB ALA 29 2HB ALA 29 -10.122 0.133 5.944 696 H PHE 30 H PHE 30 -8.703 0.251 4.049 697 HA PHE 30 HA PHE 30 -9.445 -1.937 2.238 698 1HB PHE 30 2HB PHE 30 -8.691 0.349 0.691 699 2HB PHE 30 1HB PHE 30 -10.266 -0.372 0.890 700 HD1 PHE 30 HD1 PHE 30 -7.905 2.042 2.383 701 HD2 PHE 30 HD2 PHE 30 -11.988 0.810 2.034 702 HE1 PHE 30 HE1 PHE 30 -8.658 4.172 3.389 703 HE2 PHE 30 HE2 PHE 30 -12.728 2.911 3.047 704 HZ PHE 30 HZ PHE 30 -11.065 4.613 3.737 705 H ILE 31 H ILE 31 -6.375 -0.236 2.964 706 HA ILE 31 HA ILE 31 -4.966 -1.158 0.626 707 HB ILE 31 HB ILE 31 -4.153 -0.265 3.369 708 1HG1 ILE 31 2HG1 ILE 31 -4.433 0.811 0.659 709 2HG1 ILE 31 1HG1 ILE 31 -4.252 1.679 2.185 710 1HG2 ILE 31 1HG2 ILE 31 -2.604 -2.183 2.615 711 2HG2 ILE 31 3HG2 ILE 31 -2.174 -1.171 1.227 712 3HG2 ILE 31 2HG2 ILE 31 -1.799 -0.641 2.860 713 1HD1 ILE 31 3HD1 ILE 31 -1.925 0.348 0.839 714 2HD1 ILE 31 2HD1 ILE 31 -2.444 1.965 0.405 715 3HD1 ILE 31 1HD1 ILE 31 -1.923 1.625 2.066 716 H PHE 32 H PHE 32 -5.244 -2.556 3.903 717 HA PHE 32 HA PHE 32 -3.659 -4.861 3.407 718 1HB PHE 32 2HB PHE 32 -5.747 -4.002 5.390 719 2HB PHE 32 1HB PHE 32 -5.267 -5.701 5.384 720 HD1 PHE 32 HD1 PHE 32 -3.432 -2.302 5.037 721 HD2 PHE 32 HD2 PHE 32 -3.524 -6.274 6.926 722 HE1 PHE 32 HE1 PHE 32 -1.351 -1.862 6.222 723 HE2 PHE 32 HE2 PHE 32 -1.434 -5.719 8.044 724 HZ PHE 32 HZ PHE 32 -0.348 -3.584 7.664 725 H SER 33 H SER 33 -7.161 -4.271 2.811 726 HA SER 33 HA SER 33 -7.632 -6.985 1.788 727 1HB SER 33 2HB SER 33 -9.825 -6.049 1.163 728 2HB SER 33 1HB SER 33 -9.408 -5.576 2.801 729 HG SER 33 HG SER 33 -10.206 -3.853 1.476 730 H LEU 34 H LEU 34 -6.622 -3.857 0.411 731 HA LEU 34 HA LEU 34 -6.975 -4.368 -2.404 732 1HB LEU 34 2HB LEU 34 -6.395 -2.174 -1.277 733 2HB LEU 34 1HB LEU 34 -4.791 -2.792 -0.971 734 HG LEU 34 HG LEU 34 -4.765 -3.177 -3.566 735 1HD1 LEU 34 3HD1 LEU 34 -7.151 -1.445 -3.120 736 2HD1 LEU 34 2HD1 LEU 34 -6.095 -1.029 -4.471 737 3HD1 LEU 34 1HD1 LEU 34 -6.838 -2.629 -4.391 738 1HD2 LEU 34 3HD2 LEU 34 -3.753 -1.227 -1.874 739 2HD2 LEU 34 2HD2 LEU 34 -3.369 -1.368 -3.593 740 3HD2 LEU 34 1HD2 LEU 34 -4.646 -0.277 -3.065 741 H TRP 35 H TRP 35 -4.311 -5.027 -0.138 742 HA TRP 35 HA TRP 35 -2.455 -6.185 -1.999 743 1HB TRP 35 2HB TRP 35 -2.029 -5.346 0.319 744 2HB TRP 35 1HB TRP 35 -2.846 -6.781 0.939 745 HD1 TRP 35 HD1 TRP 35 -1.416 -8.927 1.129 746 HE1 TRP 35 HE1 TRP 35 0.889 -9.633 0.274 747 HE3 TRP 35 HE3 TRP 35 -0.300 -4.926 -1.803 748 HZ2 TRP 35 HZ2 TRP 35 2.960 -8.620 -1.412 749 HZ3 TRP 35 HZ3 TRP 35 1.835 -4.837 -3.024 750 HH2 TRP 35 HH2 TRP 35 3.452 -6.652 -2.825 751 H ASP 36 H ASP 36 -4.988 -7.661 0.110 752 HA ASP 36 HA ASP 36 -4.444 -10.408 -0.592 753 1HB ASP 36 2HB ASP 36 -6.841 -8.949 0.569 754 2HB ASP 36 1HB ASP 36 -6.808 -10.697 0.365 755 H ASP 37 H ASP 37 -6.927 -8.067 -1.737 756 HA ASP 37 HA ASP 37 -7.163 -9.692 -4.206 757 1HB ASP 37 2HB ASP 37 -9.422 -8.573 -2.500 758 2HB ASP 37 1HB ASP 37 -9.644 -9.340 -4.070 759 HA PRO 38 HA PRO 38 -6.542 -5.200 -5.169 760 1HB PRO 38 2HB PRO 38 -4.793 -5.583 -7.212 761 2HB PRO 38 1HB PRO 38 -4.308 -5.430 -5.516 762 1HG PRO 38 2HG PRO 38 -4.641 -7.898 -7.159 763 2HG PRO 38 1HG PRO 38 -3.381 -7.498 -5.984 764 1HD PRO 38 1HD PRO 38 -5.457 -9.141 -5.405 765 2HD PRO 38 2HD PRO 38 -4.680 -8.100 -4.187 766 H SER 39 H SER 39 -7.835 -7.960 -6.761 767 HA SER 39 HA SER 39 -8.425 -6.963 -9.395 768 1HB SER 39 2HB SER 39 -8.906 -9.244 -7.922 769 2HB SER 39 1HB SER 39 -10.512 -8.535 -7.987 770 HG SER 39 HG SER 39 -8.839 -9.405 -10.080 771 H GLN 40 H GLN 40 -9.806 -6.431 -6.200 772 HA GLN 40 HA GLN 40 -12.082 -4.768 -7.127 773 1HB GLN 40 2HB GLN 40 -11.093 -5.047 -4.284 774 2HB GLN 40 1HB GLN 40 -12.744 -4.840 -4.848 775 1HG GLN 40 2HG GLN 40 -12.594 -7.169 -5.828 776 2HG GLN 40 1HG GLN 40 -11.035 -7.324 -5.017 777 1HE2 GLN 40 1HE2 GLN 40 -14.254 -8.064 -4.592 778 2HE2 GLN 40 2HE2 GLN 40 -14.296 -8.101 -2.896 779 H SER 41 H SER 41 -8.912 -4.041 -7.258 780 HA SER 41 HA SER 41 -8.291 -1.966 -5.494 781 1HB SER 41 2HB SER 41 -6.748 -1.231 -7.267 782 2HB SER 41 1HB SER 41 -6.710 -2.964 -6.993 783 HG SER 41 HG SER 41 -7.365 -3.243 -8.978 784 H ALA 42 H ALA 42 -10.135 -1.715 -8.574 785 HA ALA 42 HA ALA 42 -10.358 1.170 -8.601 786 1HB ALA 42 3HB ALA 42 -12.169 -1.025 -9.692 787 2HB ALA 42 2HB ALA 42 -12.246 0.673 -10.165 788 3HB ALA 42 1HB ALA 42 -10.815 -0.285 -10.548 789 H ASN 43 H ASN 43 -12.451 -1.439 -7.320 790 HA ASN 43 HA ASN 43 -14.470 0.241 -6.168 791 1HB ASN 43 2HB ASN 43 -14.636 -2.208 -6.735 792 2HB ASN 43 1HB ASN 43 -13.569 -2.549 -5.373 793 1HD2 ASN 43 1HD2 ASN 43 -16.750 -1.021 -6.138 794 2HD2 ASN 43 2HD2 ASN 43 -17.429 -1.339 -4.618 795 H LEU 44 H LEU 44 -11.332 -0.984 -4.986 796 HA LEU 44 HA LEU 44 -11.696 -0.306 -2.193 797 1HB LEU 44 2HB LEU 44 -9.518 -1.100 -4.066 798 2HB LEU 44 1HB LEU 44 -9.037 -0.389 -2.528 799 HG LEU 44 HG LEU 44 -11.160 -2.463 -2.425 800 1HD1 LEU 44 3HD1 LEU 44 -8.745 -2.956 -3.832 801 2HD1 LEU 44 2HD1 LEU 44 -8.585 -3.732 -2.254 802 3HD1 LEU 44 1HD1 LEU 44 -9.939 -4.145 -3.303 803 1HD2 LEU 44 1HD2 LEU 44 -8.948 -1.315 -0.772 804 2HD2 LEU 44 3HD2 LEU 44 -10.611 -1.713 -0.319 805 3HD2 LEU 44 2HD2 LEU 44 -9.405 -2.998 -0.464 806 H LEU 45 H LEU 45 -10.015 1.291 -4.838 807 HA LEU 45 HA LEU 45 -9.168 3.660 -3.481 808 1HB LEU 45 2HB LEU 45 -8.894 2.565 -5.990 809 2HB LEU 45 1HB LEU 45 -9.981 3.915 -6.319 810 HG LEU 45 HG LEU 45 -7.384 4.169 -4.781 811 1HD1 LEU 45 2HD1 LEU 45 -7.273 3.485 -7.272 812 2HD1 LEU 45 1HD1 LEU 45 -7.869 5.111 -7.602 813 3HD1 LEU 45 3HD1 LEU 45 -6.336 4.889 -6.760 814 1HD2 LEU 45 2HD2 LEU 45 -9.604 5.989 -5.559 815 2HD2 LEU 45 1HD2 LEU 45 -8.511 6.065 -4.176 816 3HD2 LEU 45 3HD2 LEU 45 -7.972 6.627 -5.757 817 H ALA 46 H ALA 46 -12.166 2.838 -5.229 818 HA ALA 46 HA ALA 46 -13.498 5.394 -4.954 819 1HB ALA 46 3HB ALA 46 -14.353 3.863 -6.553 820 2HB ALA 46 1HB ALA 46 -15.522 3.757 -5.238 821 3HB ALA 46 2HB ALA 46 -14.285 2.516 -5.415 822 H GLU 47 H GLU 47 -13.486 2.367 -3.050 823 HA GLU 47 HA GLU 47 -15.299 3.065 -0.975 824 1HB GLU 47 2HB GLU 47 -14.313 0.800 -1.545 825 2HB GLU 47 1HB GLU 47 -12.791 1.343 -0.841 826 1HG GLU 47 2HG GLU 47 -13.928 1.694 1.328 827 2HG GLU 47 1HG GLU 47 -15.444 1.138 0.623 828 H ALA 48 H ALA 48 -11.848 3.717 -1.437 829 HA ALA 48 HA ALA 48 -11.279 4.785 1.187 830 1HB ALA 48 1HB ALA 48 -9.275 4.351 0.192 831 2HB ALA 48 2HB ALA 48 -9.462 5.901 -0.629 832 3HB ALA 48 3HB ALA 48 -9.980 4.403 -1.429 833 H LYS 49 H LYS 49 -11.734 6.435 -1.985 834 HA LYS 49 HA LYS 49 -11.820 9.110 -0.956 835 1HB LYS 49 2HB LYS 49 -12.966 7.806 -3.445 836 2HB LYS 49 1HB LYS 49 -12.925 9.554 -3.197 837 1HG LYS 49 2HG LYS 49 -10.445 9.414 -2.893 838 2HG LYS 49 1HG LYS 49 -10.525 7.695 -3.276 839 1HD LYS 49 2HD LYS 49 -11.558 8.279 -5.477 840 2HD LYS 49 1HD LYS 49 -11.318 9.985 -5.099 841 1HE LYS 49 2HE LYS 49 -8.895 8.315 -4.754 842 2HE LYS 49 1HE LYS 49 -9.469 8.443 -6.426 843 1HZ LYS 49 3HZ LYS 49 -9.072 10.747 -4.578 844 2HZ LYS 49 2HZ LYS 49 -7.993 10.292 -5.810 845 3HZ LYS 49 1HZ LYS 49 -9.555 10.838 -6.204 846 H LYS 50 H LYS 50 -14.506 6.834 -1.722 847 HA LYS 50 HA LYS 50 -16.616 8.631 -0.941 848 1HB LYS 50 2HB LYS 50 -16.409 5.635 -1.235 849 2HB LYS 50 1HB LYS 50 -17.920 6.429 -0.782 850 1HG LYS 50 2HG LYS 50 -17.707 7.884 -2.822 851 2HG LYS 50 1HG LYS 50 -16.300 6.931 -3.299 852 1HD LYS 50 2HD LYS 50 -17.693 4.882 -3.322 853 2HD LYS 50 1HD LYS 50 -19.101 5.844 -2.871 854 1HE LYS 50 2HE LYS 50 -19.375 5.847 -5.180 855 2HE LYS 50 1HE LYS 50 -18.327 7.268 -5.027 856 1HZ LYS 50 2HZ LYS 50 -16.393 5.796 -5.282 857 2HZ LYS 50 1HZ LYS 50 -17.431 4.472 -5.523 858 3HZ LYS 50 3HZ LYS 50 -17.405 5.742 -6.645 859 H LEU 51 H LEU 51 -14.649 6.315 0.936 860 HA LEU 51 HA LEU 51 -16.207 6.510 3.380 861 1HB LEU 51 2HB LEU 51 -14.506 4.736 2.761 862 2HB LEU 51 1HB LEU 51 -13.229 5.920 3.040 863 HG LEU 51 HG LEU 51 -15.320 5.203 5.109 864 1HD1 LEU 51 3HD1 LEU 51 -13.829 3.249 4.310 865 2HD1 LEU 51 2HD1 LEU 51 -12.511 4.120 5.095 866 3HD1 LEU 51 1HD1 LEU 51 -13.895 3.575 6.043 867 1HD2 LEU 51 1HD2 LEU 51 -13.179 7.130 4.967 868 2HD2 LEU 51 3HD2 LEU 51 -14.403 6.925 6.215 869 3HD2 LEU 51 2HD2 LEU 51 -12.896 6.009 6.291 870 H ASN 52 H ASN 52 -13.433 8.346 2.039 871 HA ASN 52 HA ASN 52 -12.850 10.050 4.252 872 1HB ASN 52 2HB ASN 52 -11.416 10.926 2.720 873 2HB ASN 52 1HB ASN 52 -11.973 9.639 1.687 874 1HD2 ASN 52 1HD2 ASN 52 -11.455 10.956 -0.226 875 2HD2 ASN 52 2HD2 ASN 52 -12.475 12.233 -0.686 876 H ASP 53 H ASP 53 -15.474 10.120 1.867 877 HA ASP 53 HA ASP 53 -16.426 12.760 2.274 878 1HB ASP 53 2HB ASP 53 -17.938 10.211 1.595 879 2HB ASP 53 1HB ASP 53 -18.559 11.833 1.363 880 H ALA 54 H ALA 54 -16.909 9.737 4.122 881 HA ALA 54 HA ALA 54 -19.157 10.608 5.731 882 1HB ALA 54 1HB ALA 54 -18.017 8.278 5.222 883 2HB ALA 54 3HB ALA 54 -17.059 8.663 6.651 884 3HB ALA 54 2HB ALA 54 -18.814 8.543 6.774 885 H GLN 55 H GLN 55 -15.626 10.840 6.127 886 HA GLN 55 HA GLN 55 -15.786 12.011 8.822 887 1HB GLN 55 2HB GLN 55 -13.643 11.356 6.790 888 2HB GLN 55 1HB GLN 55 -13.245 12.184 8.285 889 1HG GLN 55 2HG GLN 55 -14.069 10.367 9.626 890 2HG GLN 55 1HG GLN 55 -14.791 9.583 8.221 891 1HE2 GLN 55 1HE2 GLN 55 -12.783 9.590 6.346 892 2HE2 GLN 55 2HE2 GLN 55 -11.422 8.750 6.923 893 H ALA 56 H ALA 56 -15.455 13.160 5.473 894 HA ALA 56 HA ALA 56 -15.902 15.957 6.360 895 1HB ALA 56 2HB ALA 56 -13.622 16.178 6.368 896 2HB ALA 56 3HB ALA 56 -13.831 16.299 4.622 897 3HB ALA 56 1HB ALA 56 -13.395 14.754 5.351 898 HA PRO 57 HA PRO 57 -18.224 15.833 2.551 899 1HB PRO 57 2HB PRO 57 -18.638 18.507 2.168 900 2HB PRO 57 1HB PRO 57 -19.456 17.577 3.439 901 1HG PRO 57 2HG PRO 57 -17.105 19.380 3.630 902 2HG PRO 57 1HG PRO 57 -18.462 19.180 4.747 903 1HD PRO 57 1HD PRO 57 -15.978 18.092 5.125 904 2HD PRO 57 2HD PRO 57 -17.474 17.421 5.814 905 H LYS 58 H LYS 58 -15.923 15.153 1.612 906 HA LYS 58 HA LYS 58 -14.244 15.324 -0.028 907 1HB LYS 58 2HB LYS 58 -16.667 16.727 -1.187 908 2HB LYS 58 1HB LYS 58 -15.236 16.380 -2.157 909 1HG LYS 58 2HG LYS 58 -15.444 13.970 -1.520 910 2HG LYS 58 1HG LYS 58 -16.947 14.354 -0.683 911 1HD LYS 58 2HD LYS 58 -17.886 15.216 -2.824 912 2HD LYS 58 1HD LYS 58 -16.399 14.742 -3.644 913 1HE LYS 58 2HE LYS 58 -17.767 12.867 -4.040 914 2HE LYS 58 1HE LYS 58 -16.920 12.364 -2.567 915 1HZ LYS 58 2HZ LYS 58 -18.742 13.294 -1.250 916 2HZ LYS 58 1HZ LYS 58 -19.567 13.734 -2.669 917 3HZ LYS 58 3HZ LYS 58 -19.311 12.097 -2.308 No H/Q in entry = 917 Start of MODEL 9 1 H1 VAL 1 3H VAL 1 0.827 -23.988 13.085 2 H2 VAL 1 2H VAL 1 1.454 -25.357 12.294 3 H3 VAL 1 1H VAL 1 2.437 -24.453 13.340 4 HA VAL 1 HA VAL 1 3.101 -23.837 11.167 5 HB VAL 1 HB VAL 1 1.258 -22.949 9.594 6 1HG1 VAL 1 1HG1 VAL 1 2.398 -25.136 9.322 7 2HG1 VAL 1 3HG1 VAL 1 1.166 -25.887 10.334 8 3HG1 VAL 1 2HG1 VAL 1 0.723 -25.184 8.781 9 1HG2 VAL 1 1HG2 VAL 1 -0.503 -22.805 11.411 10 2HG2 VAL 1 3HG2 VAL 1 -1.017 -23.677 9.968 11 3HG2 VAL 1 2HG2 VAL 1 -0.554 -24.567 11.418 12 H ASP 2 H ASP 2 4.029 -21.839 11.261 13 HA ASP 2 HA ASP 2 2.834 -19.746 12.979 14 1HB ASP 2 2HB ASP 2 5.256 -20.448 13.029 15 2HB ASP 2 1HB ASP 2 5.433 -19.784 11.404 16 H ASN 3 H ASN 3 1.553 -18.158 12.130 17 HA ASN 3 HA ASN 3 1.646 -17.622 9.187 18 1HB ASN 3 2HB ASN 3 -0.464 -18.339 10.455 19 2HB ASN 3 1HB ASN 3 -0.427 -16.756 11.228 20 1HD2 ASN 3 1HD2 ASN 3 -1.308 -15.000 10.043 21 2HD2 ASN 3 2HD2 ASN 3 -1.794 -15.106 8.420 22 H LYS 4 H LYS 4 3.388 -16.140 9.064 23 HA LYS 4 HA LYS 4 2.974 -13.517 10.468 24 1HB LYS 4 2HB LYS 4 5.464 -13.367 10.608 25 2HB LYS 4 1HB LYS 4 4.818 -14.733 11.508 26 1HG LYS 4 2HG LYS 4 5.384 -16.222 9.584 27 2HG LYS 4 1HG LYS 4 6.094 -14.839 8.755 28 1HD LYS 4 2HD LYS 4 7.734 -14.554 10.529 29 2HD LYS 4 1HD LYS 4 6.989 -15.845 11.470 30 1HE LYS 4 2HE LYS 4 7.853 -16.480 8.666 31 2HE LYS 4 1HE LYS 4 9.100 -16.352 9.920 32 1HZ LYS 4 2HZ LYS 4 6.628 -18.008 10.112 33 2HZ LYS 4 1HZ LYS 4 8.189 -18.605 9.805 34 3HZ LYS 4 3HZ LYS 4 7.837 -17.887 11.300 35 H PHE 5 H PHE 5 4.471 -15.069 7.581 36 HA PHE 5 HA PHE 5 5.083 -12.694 6.154 37 1HB PHE 5 2HB PHE 5 4.382 -15.495 5.230 38 2HB PHE 5 1HB PHE 5 5.042 -14.257 4.168 39 HD1 PHE 5 HD1 PHE 5 6.823 -13.129 6.644 40 HD2 PHE 5 HD2 PHE 5 6.338 -16.938 4.713 41 HE1 PHE 5 HE1 PHE 5 9.113 -13.763 7.323 42 HE2 PHE 5 HE2 PHE 5 8.632 -17.571 5.403 43 HZ PHE 5 HZ PHE 5 10.019 -15.986 6.707 44 H ASN 6 H ASN 6 2.002 -14.359 6.584 45 HA ASN 6 HA ASN 6 0.517 -13.469 4.355 46 1HB ASN 6 2HB ASN 6 -0.047 -14.216 7.196 47 2HB ASN 6 1HB ASN 6 -1.349 -13.452 6.287 48 1HD2 ASN 6 1HD2 ASN 6 1.065 -16.133 5.867 49 2HD2 ASN 6 2HD2 ASN 6 0.001 -17.130 5.001 50 H LYS 7 H LYS 7 0.758 -11.766 7.568 51 HA LYS 7 HA LYS 7 -0.346 -9.338 6.275 52 1HB LYS 7 2HB LYS 7 -1.178 -10.099 8.478 53 2HB LYS 7 1HB LYS 7 0.433 -9.804 9.161 54 1HG LYS 7 2HG LYS 7 -0.341 -7.461 7.748 55 2HG LYS 7 1HG LYS 7 -1.742 -7.962 8.685 56 1HD LYS 7 2HD LYS 7 1.028 -7.732 9.879 57 2HD LYS 7 1HD LYS 7 -0.129 -6.400 9.871 58 1HE LYS 7 2HE LYS 7 -1.134 -7.256 11.712 59 2HE LYS 7 1HE LYS 7 -1.483 -8.754 10.830 60 1HZ LYS 7 1HZ LYS 7 0.774 -9.513 11.290 61 2HZ LYS 7 3HZ LYS 7 1.104 -8.087 12.149 62 3HZ LYS 7 2HZ LYS 7 -0.051 -9.185 12.737 63 H GLU 8 H GLU 8 2.831 -10.592 6.735 64 HA GLU 8 HA GLU 8 4.200 -8.095 7.351 65 1HB GLU 8 2HB GLU 8 4.975 -10.758 6.161 66 2HB GLU 8 1HB GLU 8 6.096 -9.395 6.112 67 1HG GLU 8 2HG GLU 8 6.025 -9.153 8.503 68 2HG GLU 8 1HG GLU 8 4.770 -10.393 8.644 69 H GLN 9 H GLN 9 3.220 -9.816 4.403 70 HA GLN 9 HA GLN 9 4.243 -7.959 2.476 71 1HB GLN 9 2HB GLN 9 1.853 -9.834 2.446 72 2HB GLN 9 1HB GLN 9 2.524 -9.049 1.023 73 1HG GLN 9 2HG GLN 9 4.621 -10.237 1.285 74 2HG GLN 9 1HG GLN 9 4.067 -10.953 2.799 75 1HE2 GLN 9 1HE2 GLN 9 2.604 -12.761 2.677 76 2HE2 GLN 9 2HE2 GLN 9 2.134 -13.458 1.202 77 H GLN 10 H GLN 10 1.236 -8.237 4.331 78 HA GLN 10 HA GLN 10 -0.290 -6.077 3.176 79 1HB GLN 10 2HB GLN 10 -0.456 -8.041 5.217 80 2HB GLN 10 1HB GLN 10 -0.756 -6.504 5.983 81 1HG GLN 10 2HG GLN 10 -2.887 -6.980 5.291 82 2HG GLN 10 1HG GLN 10 -2.303 -6.148 3.857 83 1HE2 GLN 10 1HE2 GLN 10 -3.968 -7.521 2.661 84 2HE2 GLN 10 2HE2 GLN 10 -3.553 -9.112 2.245 85 H ASN 11 H ASN 11 1.725 -6.255 6.121 86 HA ASN 11 HA ASN 11 1.484 -3.477 6.826 87 1HB ASN 11 2HB ASN 11 2.171 -5.496 8.264 88 2HB ASN 11 1HB ASN 11 3.760 -5.391 7.497 89 1HD2 ASN 11 1HD2 ASN 11 5.207 -3.795 8.304 90 2HD2 ASN 11 2HD2 ASN 11 4.785 -2.646 9.480 91 H ALA 12 H ALA 12 4.031 -5.351 5.130 92 HA ALA 12 HA ALA 12 5.828 -3.170 4.644 93 1HB ALA 12 1HB ALA 12 5.267 -5.846 3.356 94 2HB ALA 12 2HB ALA 12 6.658 -5.368 4.340 95 3HB ALA 12 3HB ALA 12 6.487 -4.755 2.692 96 H PHE 13 H PHE 13 3.122 -4.526 2.736 97 HA PHE 13 HA PHE 13 3.338 -2.874 0.413 98 1HB PHE 13 2HB PHE 13 1.843 -4.806 0.460 99 2HB PHE 13 1HB PHE 13 0.995 -4.181 1.866 100 HD1 PHE 13 HD1 PHE 13 2.041 -2.517 -1.322 101 HD2 PHE 13 HD2 PHE 13 -1.187 -3.707 1.236 102 HE1 PHE 13 HE1 PHE 13 0.426 -1.465 -2.861 103 HE2 PHE 13 HE2 PHE 13 -2.796 -2.638 -0.291 104 HZ PHE 13 HZ PHE 13 -1.989 -1.529 -2.329 105 H TYR 14 H TYR 14 1.225 -2.510 3.263 106 HA TYR 14 HA TYR 14 0.190 0.059 2.808 107 1HB TYR 14 2HB TYR 14 -0.461 -1.590 4.519 108 2HB TYR 14 1HB TYR 14 1.021 -1.233 5.408 109 HD1 TYR 14 HD1 TYR 14 1.229 0.743 6.725 110 HD2 TYR 14 HD2 TYR 14 -2.141 0.243 4.139 111 HE1 TYR 14 HE1 TYR 14 0.100 2.664 7.794 112 HE2 TYR 14 HE2 TYR 14 -3.258 2.051 5.195 113 HH TYR 14 HH TYR 14 -3.180 3.299 7.445 114 H GLU 15 H GLU 15 3.078 -0.797 4.803 115 HA GLU 15 HA GLU 15 3.871 1.868 5.416 116 1HB GLU 15 2HB GLU 15 5.401 -0.738 5.179 117 2HB GLU 15 1HB GLU 15 6.104 0.741 5.826 118 1HG GLU 15 2HG GLU 15 3.665 -0.687 6.942 119 2HG GLU 15 1HG GLU 15 5.272 -0.690 7.656 120 H ILE 16 H ILE 16 4.839 -0.254 2.638 121 HA ILE 16 HA ILE 16 6.711 1.534 1.409 122 HB ILE 16 HB ILE 16 4.886 -0.693 0.552 123 1HG1 ILE 16 2HG1 ILE 16 7.719 -0.462 -0.306 124 2HG1 ILE 16 1HG1 ILE 16 7.458 -0.514 1.433 125 1HG2 ILE 16 2HG2 ILE 16 6.180 1.220 -1.387 126 2HG2 ILE 16 1HG2 ILE 16 5.795 -0.447 -1.824 127 3HG2 ILE 16 3HG2 ILE 16 4.507 0.663 -1.358 128 1HD1 ILE 16 2HD1 ILE 16 5.851 -2.476 -0.042 129 2HD1 ILE 16 1HD1 ILE 16 7.610 -2.712 -0.206 130 3HD1 ILE 16 3HD1 ILE 16 6.869 -2.680 1.394 131 H LEU 17 H LEU 17 3.160 1.315 1.036 132 HA LEU 17 HA LEU 17 2.860 3.613 -0.718 133 1HB LEU 17 2HB LEU 17 0.925 2.303 1.222 134 2HB LEU 17 1HB LEU 17 0.472 3.437 -0.043 135 HG LEU 17 HG LEU 17 2.062 1.224 -1.085 136 1HD1 LEU 17 3HD1 LEU 17 0.224 0.505 0.901 137 2HD1 LEU 17 2HD1 LEU 17 -0.604 0.220 -0.639 138 3HD1 LEU 17 1HD1 LEU 17 0.950 -0.538 -0.311 139 1HD2 LEU 17 2HD2 LEU 17 0.313 2.977 -2.117 140 2HD2 LEU 17 1HD2 LEU 17 0.622 1.377 -2.828 141 3HD2 LEU 17 3HD2 LEU 17 -0.785 1.601 -1.768 142 H HIS 18 H HIS 18 2.758 3.258 2.844 143 HA HIS 18 HA HIS 18 1.999 6.080 3.248 144 1HB HIS 18 2HB HIS 18 2.481 3.674 5.013 145 2HB HIS 18 1HB HIS 18 2.195 5.271 5.698 146 HD1 HIS 18 HD1 HIS 18 -0.212 6.193 5.614 147 HD2 HIS 18 HD2 HIS 18 0.167 2.547 3.663 148 HE1 HIS 18 HE1 HIS 18 -2.546 5.345 5.038 149 H LEU 19 H LEU 19 5.060 4.661 2.687 150 HA LEU 19 HA LEU 19 6.640 5.995 4.719 151 1HB LEU 19 2HB LEU 19 7.147 4.731 2.035 152 2HB LEU 19 1HB LEU 19 8.426 5.693 2.766 153 HG LEU 19 HG LEU 19 7.047 3.373 4.157 154 1HD1 LEU 19 3HD1 LEU 19 9.598 3.553 2.551 155 2HD1 LEU 19 2HD1 LEU 19 9.316 2.268 3.727 156 3HD1 LEU 19 1HD1 LEU 19 8.252 2.434 2.332 157 1HD2 LEU 19 3HD2 LEU 19 8.281 5.311 5.466 158 2HD2 LEU 19 2HD2 LEU 19 8.586 3.627 5.906 159 3HD2 LEU 19 1HD2 LEU 19 9.734 4.497 4.891 160 HA PRO 20 HA PRO 20 5.990 10.133 3.174 161 1HB PRO 20 2HB PRO 20 7.891 11.384 4.704 162 2HB PRO 20 1HB PRO 20 6.301 10.882 5.313 163 1HG PRO 20 2HG PRO 20 8.936 9.499 5.552 164 2HG PRO 20 1HG PRO 20 7.680 9.748 6.777 165 1HD PRO 20 1HD PRO 20 7.952 7.405 5.507 166 2HD PRO 20 2HD PRO 20 6.355 8.036 5.964 167 H ASN 21 H ASN 21 8.989 8.364 2.620 168 HA ASN 21 HA ASN 21 9.876 10.596 0.810 169 1HB ASN 21 2HB ASN 21 11.545 8.562 2.295 170 2HB ASN 21 1HB ASN 21 12.171 9.868 1.310 171 1HD2 ASN 21 1HD2 ASN 21 11.567 12.130 2.085 172 2HD2 ASN 21 2HD2 ASN 21 11.399 12.380 3.752 173 H LEU 22 H LEU 22 8.312 7.732 0.549 174 HA LEU 22 HA LEU 22 10.007 6.544 -1.572 175 1HB LEU 22 2HB LEU 22 7.527 5.751 -0.060 176 2HB LEU 22 1HB LEU 22 7.846 4.990 -1.612 177 HG LEU 22 HG LEU 22 9.365 4.752 0.968 178 1HD1 LEU 22 2HD1 LEU 22 8.440 2.920 -1.250 179 2HD1 LEU 22 1HD1 LEU 22 9.562 2.375 0.004 180 3HD1 LEU 22 3HD1 LEU 22 7.939 2.919 0.441 181 1HD2 LEU 22 3HD2 LEU 22 10.571 4.420 -1.803 182 2HD2 LEU 22 2HD2 LEU 22 11.104 5.547 -0.527 183 3HD2 LEU 22 1HD2 LEU 22 11.298 3.805 -0.311 184 H ASN 23 H ASN 23 9.518 6.593 -3.713 185 HA ASN 23 HA ASN 23 7.291 8.419 -4.550 186 1HB ASN 23 2HB ASN 23 8.668 8.554 -6.698 187 2HB ASN 23 1HB ASN 23 9.405 9.260 -5.276 188 1HD2 ASN 23 1HD2 ASN 23 11.548 8.595 -4.884 189 2HD2 ASN 23 2HD2 ASN 23 12.250 7.188 -5.519 190 H GLU 24 H GLU 24 6.809 7.747 -7.062 191 HA GLU 24 HA GLU 24 5.287 5.304 -6.884 192 1HB GLU 24 2HB GLU 24 4.671 5.838 -9.179 193 2HB GLU 24 1HB GLU 24 4.765 7.341 -8.274 194 1HG GLU 24 2HG GLU 24 7.098 7.657 -9.170 195 2HG GLU 24 1HG GLU 24 6.849 6.236 -10.183 196 H GLU 25 H GLU 25 8.489 6.002 -8.376 197 HA GLU 25 HA GLU 25 8.764 3.473 -9.727 198 1HB GLU 25 2HB GLU 25 10.150 5.527 -10.084 199 2HB GLU 25 1HB GLU 25 10.897 5.266 -8.509 200 1HG GLU 25 2HG GLU 25 12.354 4.357 -10.246 201 2HG GLU 25 1HG GLU 25 11.694 3.030 -9.292 202 H GLN 26 H GLN 26 9.755 4.519 -6.449 203 HA GLN 26 HA GLN 26 10.818 1.895 -5.701 204 1HB GLN 26 2HB GLN 26 10.251 4.467 -4.236 205 2HB GLN 26 1HB GLN 26 11.005 3.058 -3.475 206 1HG GLN 26 2HG GLN 26 12.791 3.077 -5.166 207 2HG GLN 26 1HG GLN 26 12.039 4.454 -5.965 208 1HE2 GLN 26 1HE2 GLN 26 14.735 4.233 -4.630 209 2HE2 GLN 26 2HE2 GLN 26 14.753 5.473 -3.476 210 H ARG 27 H ARG 27 7.958 3.775 -4.567 211 HA ARG 27 HA ARG 27 6.892 1.798 -2.834 212 1HB ARG 27 2HB ARG 27 6.136 4.163 -2.989 213 2HB ARG 27 1HB ARG 27 5.456 3.839 -4.581 214 1HG ARG 27 2HG ARG 27 4.004 2.085 -3.501 215 2HG ARG 27 1HG ARG 27 4.540 2.706 -1.940 216 1HD ARG 27 2HD ARG 27 2.441 3.802 -2.507 217 2HD ARG 27 1HD ARG 27 3.735 5.000 -2.695 218 HE ARG 27 HE ARG 27 2.757 3.393 -5.034 219 1HH1 ARG 27 1HH1 ARG 27 4.803 5.923 -4.324 220 2HH1 ARG 27 2HH1 ARG 27 4.087 7.063 -5.409 221 1HH2 ARG 27 1HH2 ARG 27 1.316 5.075 -6.110 222 2HH2 ARG 27 2HH2 ARG 27 2.108 6.583 -6.423 223 H ASN 28 H ASN 28 6.099 2.399 -6.318 224 HA ASN 28 HA ASN 28 4.130 0.293 -6.535 225 1HB ASN 28 2HB ASN 28 5.805 1.586 -8.693 226 2HB ASN 28 1HB ASN 28 4.296 0.744 -8.941 227 1HD2 ASN 28 1HD2 ASN 28 4.329 3.308 -9.902 228 2HD2 ASN 28 2HD2 ASN 28 3.453 4.351 -8.892 229 H ALA 29 H ALA 29 7.613 0.443 -7.429 230 HA ALA 29 HA ALA 29 7.851 -2.204 -8.527 231 1HB ALA 29 1HB ALA 29 9.524 -0.353 -8.624 232 2HB ALA 29 2HB ALA 29 10.219 -1.875 -8.061 233 3HB ALA 29 3HB ALA 29 9.838 -0.599 -6.902 234 H PHE 30 H PHE 30 8.023 -0.952 -5.203 235 HA PHE 30 HA PHE 30 8.869 -3.338 -3.880 236 1HB PHE 30 2HB PHE 30 7.370 -0.830 -3.162 237 2HB PHE 30 1HB PHE 30 7.524 -2.124 -1.974 238 HD1 PHE 30 HD1 PHE 30 10.349 -2.968 -3.373 239 HD2 PHE 30 HD2 PHE 30 8.742 0.609 -1.618 240 HE1 PHE 30 HE1 PHE 30 12.607 -2.252 -2.785 241 HE2 PHE 30 HE2 PHE 30 11.033 1.329 -1.035 242 HZ PHE 30 HZ PHE 30 12.959 -0.154 -1.608 243 H ILE 31 H ILE 31 5.654 -2.086 -4.653 244 HA ILE 31 HA ILE 31 4.170 -4.246 -3.450 245 HB ILE 31 HB ILE 31 3.637 -2.236 -5.647 246 1HG1 ILE 31 2HG1 ILE 31 2.462 -2.334 -2.908 247 2HG1 ILE 31 1HG1 ILE 31 4.074 -1.676 -3.126 248 1HG2 ILE 31 2HG2 ILE 31 2.062 -4.524 -4.737 249 2HG2 ILE 31 1HG2 ILE 31 1.223 -2.981 -4.652 250 3HG2 ILE 31 3HG2 ILE 31 1.888 -3.534 -6.183 251 1HD1 ILE 31 2HD1 ILE 31 1.646 -0.752 -4.683 252 2HD1 ILE 31 1HD1 ILE 31 2.238 0.027 -3.196 253 3HD1 ILE 31 3HD1 ILE 31 3.266 0.004 -4.634 254 H GLN 32 H GLN 32 5.867 -3.909 -6.597 255 HA GLN 32 HA GLN 32 4.665 -6.293 -7.804 256 1HB GLN 32 2HB GLN 32 7.265 -4.800 -8.358 257 2HB GLN 32 1HB GLN 32 6.556 -6.012 -9.419 258 1HG GLN 32 2HG GLN 32 5.165 -3.443 -8.594 259 2HG GLN 32 1HG GLN 32 6.032 -3.655 -10.114 260 1HE2 GLN 32 1HE2 GLN 32 5.202 -5.869 -11.307 261 2HE2 GLN 32 2HE2 GLN 32 3.512 -6.022 -11.355 262 H SER 33 H SER 33 7.791 -5.618 -6.140 263 HA SER 33 HA SER 33 8.744 -8.361 -6.085 264 1HB SER 33 2HB SER 33 10.318 -7.357 -4.379 265 2HB SER 33 1HB SER 33 10.288 -6.545 -5.940 266 HG SER 33 HG SER 33 10.001 -4.893 -4.611 267 H LEU 34 H LEU 34 6.687 -6.456 -3.987 268 HA LEU 34 HA LEU 34 6.760 -8.257 -1.688 269 1HB LEU 34 2HB LEU 34 6.505 -5.784 -1.657 270 2HB LEU 34 1HB LEU 34 4.972 -5.939 -2.499 271 HG LEU 34 HG LEU 34 4.203 -7.358 -0.518 272 1HD1 LEU 34 1HD1 LEU 34 6.773 -6.223 0.561 273 2HD1 LEU 34 3HD1 LEU 34 5.455 -6.784 1.591 274 3HD1 LEU 34 2HD1 LEU 34 6.270 -7.913 0.506 275 1HD2 LEU 34 1HD2 LEU 34 3.771 -4.856 -0.994 276 2HD2 LEU 34 3HD2 LEU 34 3.517 -5.430 0.648 277 3HD2 LEU 34 2HD2 LEU 34 4.987 -4.554 0.246 278 H LYS 35 H LYS 35 4.324 -7.515 -4.261 279 HA LYS 35 HA LYS 35 2.336 -9.384 -3.304 280 1HB LYS 35 2HB LYS 35 2.811 -7.740 -5.763 281 2HB LYS 35 1HB LYS 35 1.674 -9.048 -5.906 282 1HG LYS 35 2HG LYS 35 0.987 -7.880 -3.502 283 2HG LYS 35 1HG LYS 35 1.338 -6.522 -4.571 284 1HD LYS 35 2HD LYS 35 -0.422 -6.996 -5.958 285 2HD LYS 35 1HD LYS 35 -0.291 -8.734 -5.706 286 1HE LYS 35 2HE LYS 35 -1.006 -7.364 -3.230 287 2HE LYS 35 1HE LYS 35 -2.184 -7.051 -4.514 288 1HZ LYS 35 2HZ LYS 35 -1.143 -9.733 -3.741 289 2HZ LYS 35 1HZ LYS 35 -2.682 -9.127 -3.355 290 3HZ LYS 35 3HZ LYS 35 -2.275 -9.428 -4.974 291 H ASP 36 H ASP 36 5.046 -9.720 -5.607 292 HA ASP 36 HA ASP 36 4.285 -12.493 -6.281 293 1HB ASP 36 2HB ASP 36 6.509 -10.597 -7.055 294 2HB ASP 36 1HB ASP 36 6.510 -12.281 -7.576 295 H ASP 37 H ASP 37 6.710 -10.872 -4.183 296 HA ASP 37 HA ASP 37 7.673 -13.590 -3.327 297 1HB ASP 37 2HB ASP 37 9.190 -11.728 -4.424 298 2HB ASP 37 1HB ASP 37 9.166 -11.028 -2.806 299 HA PRO 38 HA PRO 38 5.340 -12.208 0.343 300 1HB PRO 38 2HB PRO 38 5.125 -14.709 1.437 301 2HB PRO 38 1HB PRO 38 4.054 -14.112 0.155 302 1HG PRO 38 2HG PRO 38 6.454 -15.866 -0.070 303 2HG PRO 38 1HG PRO 38 4.869 -16.016 -0.850 304 1HD PRO 38 1HD PRO 38 6.996 -15.012 -2.144 305 2HD PRO 38 2HD PRO 38 5.343 -14.419 -2.432 306 H SER 39 H SER 39 8.138 -14.477 0.407 307 HA SER 39 HA SER 39 8.787 -14.076 3.190 308 1HB SER 39 2HB SER 39 10.801 -15.302 2.621 309 2HB SER 39 1HB SER 39 9.464 -15.996 1.715 310 HG SER 39 HG SER 39 10.236 -15.116 -0.111 311 H GLN 40 H GLN 40 9.768 -12.286 0.257 312 HA GLN 40 HA GLN 40 11.854 -10.757 1.655 313 1HB GLN 40 2HB GLN 40 11.629 -11.416 -0.864 314 2HB GLN 40 1HB GLN 40 10.536 -10.032 -0.969 315 1HG GLN 40 2HG GLN 40 12.361 -8.614 0.037 316 2HG GLN 40 1HG GLN 40 13.442 -9.999 -0.111 317 1HE2 GLN 40 1HE2 GLN 40 14.457 -10.284 -2.137 318 2HE2 GLN 40 2HE2 GLN 40 14.020 -9.445 -3.547 319 H SER 41 H SER 41 8.447 -10.548 1.776 320 HA SER 41 HA SER 41 7.845 -7.850 1.381 321 1HB SER 41 2HB SER 41 5.945 -8.296 2.908 322 2HB SER 41 1HB SER 41 6.224 -9.656 1.829 323 HG SER 41 HG SER 41 6.713 -10.847 3.500 324 H ALA 42 H ALA 42 8.908 -9.222 4.597 325 HA ALA 42 HA ALA 42 8.891 -6.691 5.963 326 1HB ALA 42 2HB ALA 42 10.725 -9.072 6.232 327 2HB ALA 42 3HB ALA 42 9.177 -8.868 7.061 328 3HB ALA 42 1HB ALA 42 10.529 -7.797 7.435 329 H ASN 43 H ASN 43 11.489 -8.385 4.158 330 HA ASN 43 HA ASN 43 13.588 -6.466 4.437 331 1HB ASN 43 2HB ASN 43 12.858 -8.732 2.723 332 2HB ASN 43 1HB ASN 43 13.796 -7.497 1.871 333 1HD2 ASN 43 1HD2 ASN 43 13.957 -8.786 5.272 334 2HD2 ASN 43 2HD2 ASN 43 15.616 -9.143 5.200 335 H LEU 44 H LEU 44 10.847 -6.726 2.196 336 HA LEU 44 HA LEU 44 11.581 -4.590 0.427 337 1HB LEU 44 2HB LEU 44 9.040 -6.020 1.132 338 2HB LEU 44 1HB LEU 44 9.054 -4.695 -0.037 339 HG LEU 44 HG LEU 44 10.873 -7.096 -0.169 340 1HD1 LEU 44 1HD1 LEU 44 8.231 -7.201 -0.526 341 2HD1 LEU 44 3HD1 LEU 44 8.697 -6.630 -2.128 342 3HD1 LEU 44 2HD1 LEU 44 9.355 -8.148 -1.505 343 1HD2 LEU 44 3HD2 LEU 44 10.919 -4.488 -1.359 344 2HD2 LEU 44 1HD2 LEU 44 10.498 -5.688 -2.626 345 3HD2 LEU 44 2HD2 LEU 44 11.977 -5.883 -1.670 346 H LEU 45 H LEU 45 9.560 -4.740 3.360 347 HA LEU 45 HA LEU 45 8.973 -1.881 3.207 348 1HB LEU 45 2HB LEU 45 7.554 -3.284 4.492 349 2HB LEU 45 1HB LEU 45 8.903 -3.927 5.424 350 HG LEU 45 HG LEU 45 9.273 -1.821 6.495 351 1HD1 LEU 45 2HD1 LEU 45 7.284 -0.747 4.468 352 2HD1 LEU 45 1HD1 LEU 45 7.741 0.152 5.913 353 3HD1 LEU 45 3HD1 LEU 45 8.960 -0.241 4.699 354 1HD2 LEU 45 3HD2 LEU 45 7.392 -3.274 7.264 355 2HD2 LEU 45 2HD2 LEU 45 7.214 -1.574 7.709 356 3HD2 LEU 45 1HD2 LEU 45 6.287 -2.237 6.362 357 H ALA 46 H ALA 46 11.419 -3.905 4.875 358 HA ALA 46 HA ALA 46 12.846 -1.851 6.283 359 1HB ALA 46 1HB ALA 46 13.615 -4.433 4.891 360 2HB ALA 46 3HB ALA 46 14.805 -3.461 5.763 361 3HB ALA 46 2HB ALA 46 13.422 -4.147 6.628 362 H GLU 47 H GLU 47 13.293 -3.050 2.897 363 HA GLU 47 HA GLU 47 15.411 -1.159 2.339 364 1HB GLU 47 2HB GLU 47 15.141 -1.912 0.000 365 2HB GLU 47 1HB GLU 47 15.257 -3.266 1.112 366 1HG GLU 47 2HG GLU 47 12.747 -3.330 1.057 367 2HG GLU 47 1HG GLU 47 12.848 -2.206 -0.302 368 H ALA 48 H ALA 48 11.833 -1.177 1.902 369 HA ALA 48 HA ALA 48 11.691 1.320 0.483 370 1HB ALA 48 1HB ALA 48 9.959 -0.474 0.823 371 2HB ALA 48 3HB ALA 48 9.818 0.059 2.505 372 3HB ALA 48 2HB ALA 48 9.368 1.147 1.179 373 H LYS 49 H LYS 49 11.840 0.454 3.947 374 HA LYS 49 HA LYS 49 11.472 3.165 4.949 375 1HB LYS 49 2HB LYS 49 11.947 0.414 5.911 376 2HB LYS 49 1HB LYS 49 12.584 1.663 6.966 377 1HG LYS 49 2HG LYS 49 10.490 2.580 7.373 378 2HG LYS 49 1HG LYS 49 9.851 2.050 5.817 379 1HD LYS 49 2HD LYS 49 8.790 0.609 7.303 380 2HD LYS 49 1HD LYS 49 10.181 -0.339 6.772 381 1HE LYS 49 2HE LYS 49 11.427 0.273 8.758 382 2HE LYS 49 1HE LYS 49 10.136 1.384 9.262 383 1HZ LYS 49 3HZ LYS 49 9.813 -1.553 8.853 384 2HZ LYS 49 2HZ LYS 49 9.921 -0.783 10.363 385 3HZ LYS 49 1HZ LYS 49 8.594 -0.479 9.347 386 H LYS 50 H LYS 50 14.102 1.022 4.104 387 HA LYS 50 HA LYS 50 16.387 2.498 5.032 388 1HB LYS 50 2HB LYS 50 16.691 0.236 4.398 389 2HB LYS 50 1HB LYS 50 15.663 0.414 2.995 390 1HG LYS 50 2HG LYS 50 17.613 1.995 2.148 391 2HG LYS 50 1HG LYS 50 18.564 1.038 3.287 392 1HD LYS 50 2HD LYS 50 16.723 -0.241 1.232 393 2HD LYS 50 1HD LYS 50 18.424 0.112 0.895 394 1HE LYS 50 2HE LYS 50 19.049 -1.264 2.922 395 2HE LYS 50 1HE LYS 50 17.339 -1.718 3.075 396 1HZ LYS 50 2HZ LYS 50 17.402 -2.497 0.758 397 2HZ LYS 50 1HZ LYS 50 19.064 -2.145 0.682 398 3HZ LYS 50 3HZ LYS 50 18.499 -3.348 1.735 399 H LEU 51 H LEU 51 14.356 2.521 2.100 400 HA LEU 51 HA LEU 51 15.827 4.561 0.636 401 1HB LEU 51 2HB LEU 51 13.301 3.013 0.498 402 2HB LEU 51 1HB LEU 51 13.211 4.597 -0.251 403 HG LEU 51 HG LEU 51 14.638 4.024 -1.937 404 1HD1 LEU 51 1HD1 LEU 51 15.983 2.279 0.097 405 2HD1 LEU 51 3HD1 LEU 51 16.309 2.055 -1.624 406 3HD1 LEU 51 2HD1 LEU 51 16.668 3.608 -0.849 407 1HD2 LEU 51 3HD2 LEU 51 13.239 1.596 -0.940 408 2HD2 LEU 51 2HD2 LEU 51 13.073 2.444 -2.483 409 3HD2 LEU 51 1HD2 LEU 51 14.448 1.370 -2.210 410 H ASN 52 H ASN 52 13.061 4.507 2.848 411 HA ASN 52 HA ASN 52 12.198 7.188 2.644 412 1HB ASN 52 2HB ASN 52 11.112 5.175 3.737 413 2HB ASN 52 1HB ASN 52 12.191 5.434 5.106 414 1HD2 ASN 52 1HD2 ASN 52 11.631 7.058 6.597 415 2HD2 ASN 52 2HD2 ASN 52 10.304 8.098 6.405 416 H ASP 53 H ASP 53 14.614 5.713 4.836 417 HA ASP 53 HA ASP 53 15.258 8.253 6.170 418 1HB ASP 53 2HB ASP 53 15.336 5.970 7.192 419 2HB ASP 53 1HB ASP 53 16.708 5.592 6.151 420 H ALA 54 H ALA 54 16.862 6.175 3.718 421 HA ALA 54 HA ALA 54 19.293 7.697 3.472 422 1HB ALA 54 2HB ALA 54 19.528 6.415 1.385 423 2HB ALA 54 3HB ALA 54 17.807 6.022 1.417 424 3HB ALA 54 1HB ALA 54 18.882 5.373 2.656 425 H GLN 55 H GLN 55 16.180 7.864 1.717 426 HA GLN 55 HA GLN 55 17.028 10.196 0.108 427 1HB GLN 55 2HB GLN 55 14.378 8.766 0.425 428 2HB GLN 55 1HB GLN 55 14.746 9.973 -0.802 429 1HG GLN 55 2HG GLN 55 16.503 8.507 -1.736 430 2HG GLN 55 1HG GLN 55 16.147 7.284 -0.505 431 1HE2 GLN 55 1HE2 GLN 55 13.522 6.981 -0.391 432 2HE2 GLN 55 2HE2 GLN 55 12.823 6.665 -1.904 433 H ALA 56 H ALA 56 15.787 9.744 3.278 434 HA ALA 56 HA ALA 56 13.844 11.808 3.533 435 1HB ALA 56 2HB ALA 56 15.345 11.628 5.933 436 2HB ALA 56 3HB ALA 56 15.336 10.010 5.221 437 3HB ALA 56 1HB ALA 56 13.815 10.835 5.560 438 HA PRO 57 HA PRO 57 16.156 15.507 3.380 439 1HB PRO 57 2HB PRO 57 14.580 17.103 4.957 440 2HB PRO 57 1HB PRO 57 14.141 16.625 3.305 441 1HG PRO 57 2HG PRO 57 13.246 15.464 5.902 442 2HG PRO 57 1HG PRO 57 12.304 15.822 4.444 443 1HD PRO 57 1HD PRO 57 13.139 13.331 5.061 444 2HD PRO 57 2HD PRO 57 12.969 13.890 3.381 445 H LYS 58 H LYS 58 15.284 14.175 6.562 446 HA LYS 58 HA LYS 58 17.839 15.282 7.668 447 1HB LYS 58 2HB LYS 58 15.215 16.095 8.295 448 2HB LYS 58 1HB LYS 58 15.695 15.055 9.634 449 1HG LYS 58 2HG LYS 58 17.865 16.841 8.852 450 2HG LYS 58 1HG LYS 58 16.409 17.742 9.272 451 1HD LYS 58 2HD LYS 58 17.420 17.500 11.361 452 2HD LYS 58 1HD LYS 58 16.326 16.119 11.338 453 1HE LYS 58 2HE LYS 58 18.829 15.378 10.078 454 2HE LYS 58 1HE LYS 58 19.141 16.052 11.689 455 1HZ LYS 58 2HZ LYS 58 17.070 13.994 11.097 456 2HZ LYS 58 1HZ LYS 58 18.603 13.654 11.740 457 3HZ LYS 58 3HZ LYS 58 17.503 14.586 12.632 458 H1 VAL 1 3H VAL 1 5.886 -15.254 -12.252 459 H2 VAL 1 2H VAL 1 5.966 -14.198 -13.581 460 H3 VAL 1 1H VAL 1 7.085 -14.057 -12.311 461 HA VAL 1 HA VAL 1 5.374 -13.349 -10.785 462 HB VAL 1 HB VAL 1 5.682 -12.000 -13.477 463 1HG1 VAL 1 2HG1 VAL 1 4.017 -11.041 -11.137 464 2HG1 VAL 1 1HG1 VAL 1 4.713 -9.927 -12.312 465 3HG1 VAL 1 3HG1 VAL 1 3.549 -11.145 -12.832 466 1HG2 VAL 1 2HG2 VAL 1 6.670 -11.448 -10.662 467 2HG2 VAL 1 1HG2 VAL 1 7.631 -11.987 -12.041 468 3HG2 VAL 1 3HG2 VAL 1 6.941 -10.364 -12.025 469 H ASP 2 H ASP 2 3.242 -13.519 -10.189 470 HA ASP 2 HA ASP 2 1.343 -14.946 -11.890 471 1HB ASP 2 2HB ASP 2 1.495 -15.289 -9.464 472 2HB ASP 2 1HB ASP 2 1.094 -13.601 -9.186 473 H ASN 3 H ASN 3 -0.491 -14.131 -12.906 474 HA ASN 3 HA ASN 3 -0.463 -11.302 -13.653 475 1HB ASN 3 2HB ASN 3 -2.258 -13.677 -14.260 476 2HB ASN 3 1HB ASN 3 -2.525 -12.079 -14.956 477 1HD2 ASN 3 1HD2 ASN 3 -0.646 -14.991 -15.248 478 2HD2 ASN 3 2HD2 ASN 3 0.374 -14.453 -16.493 479 H LYS 4 H LYS 4 -0.824 -10.314 -11.564 480 HA LYS 4 HA LYS 4 -3.683 -10.406 -10.632 481 1HB LYS 4 2HB LYS 4 -2.854 -10.221 -8.363 482 2HB LYS 4 1HB LYS 4 -1.971 -11.529 -9.142 483 1HG LYS 4 2HG LYS 4 -0.142 -9.837 -9.668 484 2HG LYS 4 1HG LYS 4 -0.998 -8.706 -8.622 485 1HD LYS 4 2HD LYS 4 0.572 -9.695 -7.183 486 2HD LYS 4 1HD LYS 4 -0.907 -10.595 -6.850 487 1HE LYS 4 2HE LYS 4 -0.061 -12.535 -7.713 488 2HE LYS 4 1HE LYS 4 0.727 -11.697 -9.062 489 1HZ LYS 4 3HZ LYS 4 2.354 -10.814 -7.430 490 2HZ LYS 4 2HZ LYS 4 1.658 -11.811 -6.242 491 3HZ LYS 4 1HZ LYS 4 2.417 -12.498 -7.597 492 H PHE 5 H PHE 5 -3.979 -8.281 -9.110 493 HA PHE 5 HA PHE 5 -3.400 -5.963 -10.854 494 1HB PHE 5 2HB PHE 5 -5.213 -6.627 -8.546 495 2HB PHE 5 1HB PHE 5 -4.984 -4.958 -9.028 496 HD1 PHE 5 HD1 PHE 5 -6.253 -8.259 -10.084 497 HD2 PHE 5 HD2 PHE 5 -5.839 -4.116 -11.135 498 HE1 PHE 5 HE1 PHE 5 -7.882 -8.564 -11.926 499 HE2 PHE 5 HE2 PHE 5 -7.465 -4.422 -12.979 500 HZ PHE 5 HZ PHE 5 -8.489 -6.645 -13.375 501 H ASN 6 H ASN 6 -1.032 -6.910 -9.510 502 HA ASN 6 HA ASN 6 -0.524 -5.483 -7.058 503 1HB ASN 6 2HB ASN 6 1.948 -5.901 -7.766 504 2HB ASN 6 1HB ASN 6 0.934 -7.292 -7.435 505 1HD2 ASN 6 1HD2 ASN 6 2.266 -8.673 -8.825 506 2HD2 ASN 6 2HD2 ASN 6 2.211 -8.534 -10.516 507 H LYS 7 H LYS 7 -0.062 -4.643 -10.435 508 HA LYS 7 HA LYS 7 1.325 -2.142 -10.066 509 1HB LYS 7 2HB LYS 7 -0.555 -3.191 -12.208 510 2HB LYS 7 1HB LYS 7 0.376 -1.702 -12.380 511 1HG LYS 7 2HG LYS 7 2.481 -2.986 -12.080 512 2HG LYS 7 1HG LYS 7 1.547 -4.473 -11.947 513 1HD LYS 7 2HD LYS 7 2.175 -4.462 -14.210 514 2HD LYS 7 1HD LYS 7 0.549 -3.785 -14.253 515 1HE LYS 7 2HE LYS 7 1.660 -2.190 -15.537 516 2HE LYS 7 1HE LYS 7 1.917 -1.485 -13.929 517 1HZ LYS 7 2HZ LYS 7 4.003 -2.712 -13.759 518 2HZ LYS 7 1HZ LYS 7 3.766 -3.373 -15.309 519 3HZ LYS 7 3HZ LYS 7 4.016 -1.706 -15.127 520 H GLU 8 H GLU 8 -2.053 -3.047 -9.892 521 HA GLU 8 HA GLU 8 -3.081 -0.362 -9.930 522 1HB GLU 8 2HB GLU 8 -4.069 -3.052 -9.743 523 2HB GLU 8 1HB GLU 8 -4.846 -2.052 -8.508 524 1HG GLU 8 2HG GLU 8 -4.547 -1.185 -11.376 525 2HG GLU 8 1HG GLU 8 -5.968 -2.046 -10.786 526 H LEU 9 H LEU 9 -1.680 -2.331 -7.398 527 HA LEU 9 HA LEU 9 -2.782 -0.869 -5.163 528 1HB LEU 9 2HB LEU 9 -0.046 -2.109 -5.201 529 2HB LEU 9 1HB LEU 9 -1.107 -1.870 -3.866 530 HG LEU 9 HG LEU 9 -1.851 -3.725 -6.111 531 1HD1 LEU 9 1HD1 LEU 9 0.120 -4.035 -3.973 532 2HD1 LEU 9 3HD1 LEU 9 -1.181 -5.223 -3.826 533 3HD1 LEU 9 2HD1 LEU 9 -0.231 -5.137 -5.313 534 1HD2 LEU 9 2HD2 LEU 9 -2.833 -3.256 -3.274 535 2HD2 LEU 9 1HD2 LEU 9 -3.722 -2.927 -4.768 536 3HD2 LEU 9 3HD2 LEU 9 -3.366 -4.594 -4.287 537 H SER 10 H SER 10 -0.229 -0.214 -7.463 538 HA SER 10 HA SER 10 1.251 1.749 -5.973 539 1HB SER 10 2HB SER 10 2.354 1.290 -7.916 540 2HB SER 10 1HB SER 10 0.912 0.719 -8.699 541 HG SER 10 HG SER 10 1.011 2.509 -9.788 542 H VAL 11 H VAL 11 -1.421 2.047 -8.333 543 HA VAL 11 HA VAL 11 -1.930 4.891 -7.784 544 HB VAL 11 HB VAL 11 -3.563 2.875 -9.373 545 1HG1 VAL 11 1HG1 VAL 11 -3.317 5.877 -9.347 546 2HG1 VAL 11 3HG1 VAL 11 -3.891 5.028 -10.783 547 3HG1 VAL 11 2HG1 VAL 11 -4.771 4.883 -9.262 548 1HG2 VAL 11 1HG2 VAL 11 -1.092 4.434 -10.206 549 2HG2 VAL 11 3HG2 VAL 11 -1.270 2.676 -10.155 550 3HG2 VAL 11 2HG2 VAL 11 -2.175 3.625 -11.341 551 H ALA 12 H ALA 12 -3.920 1.916 -7.509 552 HA ALA 12 HA ALA 12 -6.086 3.014 -6.021 553 1HB ALA 12 3HB ALA 12 -5.782 0.760 -7.312 554 2HB ALA 12 1HB ALA 12 -6.783 0.758 -5.859 555 3HB ALA 12 2HB ALA 12 -5.123 0.154 -5.783 556 H GLY 13 H GLY 13 -3.165 1.373 -4.921 557 1HA GLY 13 1HA GLY 13 -2.208 1.110 -2.826 558 2HA GLY 13 2HA GLY 13 -3.816 1.324 -2.141 559 H ARG 14 H ARG 14 -1.403 3.373 -3.821 560 HA ARG 14 HA ARG 14 -0.861 4.991 -1.575 561 1HB ARG 14 2HB ARG 14 0.034 4.803 -4.162 562 2HB ARG 14 1HB ARG 14 -0.703 6.401 -4.166 563 1HG ARG 14 2HG ARG 14 1.400 5.371 -2.237 564 2HG ARG 14 1HG ARG 14 1.643 6.580 -3.493 565 1HD ARG 14 2HD ARG 14 0.244 8.172 -2.338 566 2HD ARG 14 1HD ARG 14 -0.293 6.930 -1.186 567 HE ARG 14 HE ARG 14 2.247 6.730 -0.641 568 1HH1 ARG 14 1HH1 ARG 14 0.742 8.901 0.824 569 2HH1 ARG 14 2HH1 ARG 14 1.762 10.278 0.570 570 1HH2 ARG 14 1HH2 ARG 14 3.537 8.807 -2.046 571 2HH2 ARG 14 2HH2 ARG 14 3.356 10.223 -1.065 572 H GLU 15 H GLU 15 -3.444 5.484 -4.056 573 HA GLU 15 HA GLU 15 -4.249 8.105 -3.108 574 1HB GLU 15 2HB GLU 15 -5.611 5.885 -4.652 575 2HB GLU 15 1HB GLU 15 -6.432 7.403 -4.283 576 1HG GLU 15 2HG GLU 15 -4.541 8.637 -5.367 577 2HG GLU 15 1HG GLU 15 -3.847 7.087 -5.836 578 H ILE 16 H ILE 16 -5.288 4.786 -2.272 579 HA ILE 16 HA ILE 16 -7.290 5.500 -0.314 580 HB ILE 16 HB ILE 16 -5.603 3.024 -0.838 581 1HG1 ILE 16 2HG1 ILE 16 -8.559 3.476 -1.297 582 2HG1 ILE 16 1HG1 ILE 16 -7.358 3.868 -2.518 583 1HG2 ILE 16 2HG2 ILE 16 -7.805 3.492 1.177 584 2HG2 ILE 16 1HG2 ILE 16 -7.478 1.880 0.527 585 3HG2 ILE 16 3HG2 ILE 16 -6.229 2.743 1.433 586 1HD1 ILE 16 3HD1 ILE 16 -6.605 1.333 -1.896 587 2HD1 ILE 16 2HD1 ILE 16 -8.341 1.229 -1.594 588 3HD1 ILE 16 1HD1 ILE 16 -7.748 1.723 -3.182 589 H VAL 17 H VAL 17 -3.783 5.241 -0.251 590 HA VAL 17 HA VAL 17 -3.343 5.153 2.605 591 HB VAL 17 HB VAL 17 -1.713 5.809 0.149 592 1HG1 VAL 17 1HG1 VAL 17 -1.022 6.497 2.926 593 2HG1 VAL 17 3HG1 VAL 17 0.200 5.555 2.073 594 3HG1 VAL 17 2HG1 VAL 17 -0.347 7.096 1.415 595 1HG2 VAL 17 3HG2 VAL 17 -2.192 3.510 1.881 596 2HG2 VAL 17 2HG2 VAL 17 -1.555 3.583 0.220 597 3HG2 VAL 17 1HG2 VAL 17 -0.475 3.826 1.590 598 H THR 18 H THR 18 -3.645 7.863 0.251 599 HA THR 18 HA THR 18 -3.694 9.706 2.603 600 HB THR 18 HB THR 18 -1.424 9.478 1.605 601 HG1 THR 18 HG1 THR 18 -2.590 12.030 1.170 602 1HG2 THR 18 2HG2 THR 18 -2.919 10.175 -0.877 603 2HG2 THR 18 1HG2 THR 18 -1.328 10.907 -0.678 604 3HG2 THR 18 3HG2 THR 18 -1.499 9.152 -0.662 605 H LEU 19 H LEU 19 -6.079 8.892 0.910 606 HA LEU 19 HA LEU 19 -6.616 11.058 -0.946 607 1HB LEU 19 2HB LEU 19 -9.019 10.329 -0.618 608 2HB LEU 19 1HB LEU 19 -7.906 9.065 -1.112 609 HG LEU 19 HG LEU 19 -8.101 9.299 1.798 610 1HD1 LEU 19 2HD1 LEU 19 -10.551 8.915 0.090 611 2HD1 LEU 19 1HD1 LEU 19 -10.432 8.186 1.691 612 3HD1 LEU 19 3HD1 LEU 19 -10.340 9.937 1.513 613 1HD2 LEU 19 1HD2 LEU 19 -8.266 7.177 -0.338 614 2HD2 LEU 19 3HD2 LEU 19 -7.135 7.305 1.004 615 3HD2 LEU 19 2HD2 LEU 19 -8.796 6.797 1.299 616 HA PRO 20 HA PRO 20 -7.266 14.634 1.354 617 1HB PRO 20 2HB PRO 20 -9.698 15.630 0.541 618 2HB PRO 20 1HB PRO 20 -8.199 15.699 -0.409 619 1HG PRO 20 2HG PRO 20 -10.427 13.708 -0.549 620 2HG PRO 20 1HG PRO 20 -9.599 14.559 -1.868 621 1HD PRO 20 1HD PRO 20 -8.956 12.050 -1.293 622 2HD PRO 20 2HD PRO 20 -7.685 13.231 -1.695 623 H ASN 21 H ASN 21 -10.062 12.427 1.920 624 HA ASN 21 HA ASN 21 -10.434 13.902 4.529 625 1HB ASN 21 2HB ASN 21 -12.472 12.540 2.777 626 2HB ASN 21 1HB ASN 21 -12.824 13.265 4.327 627 1HD2 ASN 21 1HD2 ASN 21 -14.008 14.051 1.792 628 2HD2 ASN 21 2HD2 ASN 21 -13.570 15.673 1.520 629 H LEU 22 H LEU 22 -9.061 11.064 3.678 630 HA LEU 22 HA LEU 22 -10.653 9.333 5.496 631 1HB LEU 22 2HB LEU 22 -9.472 8.776 3.195 632 2HB LEU 22 1HB LEU 22 -8.102 8.471 4.248 633 HG LEU 22 HG LEU 22 -9.995 7.137 5.619 634 1HD1 LEU 22 2HD1 LEU 22 -11.629 7.779 3.719 635 2HD1 LEU 22 1HD1 LEU 22 -10.765 6.579 2.758 636 3HD1 LEU 22 3HD1 LEU 22 -11.595 6.093 4.236 637 1HD2 LEU 22 1HD2 LEU 22 -8.039 6.416 3.500 638 2HD2 LEU 22 3HD2 LEU 22 -8.162 5.852 5.171 639 3HD2 LEU 22 2HD2 LEU 22 -9.218 5.170 3.933 640 H ASN 23 H ASN 23 -9.642 8.156 7.195 641 HA ASN 23 HA ASN 23 -7.419 9.645 8.556 642 1HB ASN 23 2HB ASN 23 -8.368 8.740 10.641 643 2HB ASN 23 1HB ASN 23 -9.594 9.602 9.723 644 1HD2 ASN 23 1HD2 ASN 23 -10.505 7.788 11.622 645 2HD2 ASN 23 2HD2 ASN 23 -11.128 6.402 10.866 646 H ASP 24 H ASP 24 -5.817 8.329 9.735 647 HA ASP 24 HA ASP 24 -4.564 6.400 8.169 648 1HB ASP 24 2HB ASP 24 -3.074 6.061 10.071 649 2HB ASP 24 1HB ASP 24 -3.464 7.760 9.858 650 HA PRO 25 HA PRO 25 -6.201 2.754 10.826 651 1HB PRO 25 2HB PRO 25 -8.756 2.925 11.801 652 2HB PRO 25 1HB PRO 25 -7.321 3.381 12.740 653 1HG PRO 25 2HG PRO 25 -9.254 5.106 11.283 654 2HG PRO 25 1HG PRO 25 -8.464 5.366 12.845 655 1HD PRO 25 1HD PRO 25 -7.666 6.572 10.549 656 2HD PRO 25 2HD PRO 25 -6.577 6.214 11.896 657 H GLN 26 H GLN 26 -8.758 4.605 9.022 658 HA GLN 26 HA GLN 26 -10.034 2.241 7.950 659 1HB GLN 26 2HB GLN 26 -9.990 5.154 7.105 660 2HB GLN 26 1HB GLN 26 -11.006 3.937 6.322 661 1HG GLN 26 2HG GLN 26 -11.915 3.367 8.633 662 2HG GLN 26 1HG GLN 26 -11.083 4.797 9.230 663 1HE2 GLN 26 1HE2 GLN 26 -11.593 6.633 7.104 664 2HE2 GLN 26 2HE2 GLN 26 -13.266 6.886 6.994 665 H LYS 27 H LYS 27 -7.593 4.483 6.509 666 HA LYS 27 HA LYS 27 -7.270 3.075 4.038 667 1HB LYS 27 2HB LYS 27 -4.903 4.057 4.137 668 2HB LYS 27 1HB LYS 27 -6.258 5.188 4.111 669 1HG LYS 27 2HG LYS 27 -6.001 5.205 6.697 670 2HG LYS 27 1HG LYS 27 -4.445 4.448 6.403 671 1HD LYS 27 2HD LYS 27 -4.078 6.828 6.505 672 2HD LYS 27 1HD LYS 27 -3.914 6.327 4.829 673 1HE LYS 27 2HE LYS 27 -5.811 7.443 4.152 674 2HE LYS 27 1HE LYS 27 -6.643 7.174 5.691 675 1HZ LYS 27 1HZ LYS 27 -5.130 8.749 6.746 676 2HZ LYS 27 3HZ LYS 27 -4.348 9.020 5.264 677 3HZ LYS 27 2HZ LYS 27 -5.968 9.488 5.466 678 H LYS 28 H LYS 28 -5.803 2.562 7.212 679 HA LYS 28 HA LYS 28 -3.794 0.660 6.536 680 1HB LYS 28 2HB LYS 28 -5.244 1.640 8.882 681 2HB LYS 28 1HB LYS 28 -5.017 -0.099 9.010 682 1HG LYS 28 2HG LYS 28 -2.698 1.547 8.151 683 2HG LYS 28 1HG LYS 28 -3.154 1.604 9.843 684 1HD LYS 28 2HD LYS 28 -2.600 -0.586 10.213 685 2HD LYS 28 1HD LYS 28 -3.035 -1.082 8.578 686 1HE LYS 28 2HE LYS 28 -0.974 -0.433 7.676 687 2HE LYS 28 1HE LYS 28 -0.638 0.696 9.000 688 1HZ LYS 28 2HZ LYS 28 -0.917 -2.228 9.453 689 2HZ LYS 28 1HZ LYS 28 0.578 -1.509 9.090 690 3HZ LYS 28 3HZ LYS 28 -0.254 -1.061 10.497 691 H ALA 29 H ALA 29 -7.132 -0.058 7.766 692 HA ALA 29 HA ALA 29 -7.111 -2.857 7.086 693 1HB ALA 29 1HB ALA 29 -9.566 -2.623 7.397 694 2HB ALA 29 2HB ALA 29 -9.399 -0.866 7.334 695 3HB ALA 29 3HB ALA 29 -8.680 -1.775 8.665 696 H PHE 30 H PHE 30 -7.903 0.049 5.231 697 HA PHE 30 HA PHE 30 -9.213 -1.131 2.968 698 1HB PHE 30 2HB PHE 30 -8.234 1.410 3.882 699 2HB PHE 30 1HB PHE 30 -7.646 1.161 2.252 700 HD1 PHE 30 HD1 PHE 30 -9.264 0.497 0.458 701 HD2 PHE 30 HD2 PHE 30 -10.487 1.976 4.296 702 HE1 PHE 30 HE1 PHE 30 -11.507 1.025 -0.449 703 HE2 PHE 30 HE2 PHE 30 -12.726 2.510 3.386 704 HZ PHE 30 HZ PHE 30 -13.236 2.036 1.016 705 H ILE 31 H ILE 31 -5.816 -0.081 3.345 706 HA ILE 31 HA ILE 31 -4.874 -1.102 0.838 707 HB ILE 31 HB ILE 31 -3.709 -0.318 3.500 708 1HG1 ILE 31 2HG1 ILE 31 -4.039 0.835 0.786 709 2HG1 ILE 31 1HG1 ILE 31 -3.999 1.644 2.361 710 1HG2 ILE 31 2HG2 ILE 31 -2.408 -2.309 2.273 711 2HG2 ILE 31 1HG2 ILE 31 -1.813 -0.978 1.265 712 3HG2 ILE 31 3HG2 ILE 31 -1.545 -0.971 3.010 713 1HD1 ILE 31 3HD1 ILE 31 -1.502 0.448 1.245 714 2HD1 ILE 31 2HD1 ILE 31 -2.077 1.983 0.646 715 3HD1 ILE 31 1HD1 ILE 31 -1.708 1.793 2.374 716 H PHE 32 H PHE 32 -5.009 -2.475 4.137 717 HA PHE 32 HA PHE 32 -3.645 -4.910 3.547 718 1HB PHE 32 2HB PHE 32 -5.523 -3.905 5.677 719 2HB PHE 32 1HB PHE 32 -5.096 -5.616 5.654 720 HD1 PHE 32 HD1 PHE 32 -3.227 -6.249 7.031 721 HD2 PHE 32 HD2 PHE 32 -3.214 -2.258 5.195 722 HE1 PHE 32 HE1 PHE 32 -1.084 -5.710 8.050 723 HE2 PHE 32 HE2 PHE 32 -1.089 -1.822 6.289 724 HZ PHE 32 HZ PHE 32 -0.016 -3.567 7.664 725 H SER 33 H SER 33 -7.106 -3.933 3.073 726 HA SER 33 HA SER 33 -7.852 -6.662 2.191 727 1HB SER 33 2HB SER 33 -10.016 -5.661 1.763 728 2HB SER 33 1HB SER 33 -9.422 -4.982 3.265 729 HG SER 33 HG SER 33 -9.342 -3.095 2.363 730 H LEU 34 H LEU 34 -6.755 -3.608 0.742 731 HA LEU 34 HA LEU 34 -7.175 -4.137 -2.054 732 1HB LEU 34 2HB LEU 34 -6.587 -1.942 -1.064 733 2HB LEU 34 1HB LEU 34 -5.039 -2.564 -0.548 734 HG LEU 34 HG LEU 34 -4.673 -3.043 -3.056 735 1HD1 LEU 34 2HD1 LEU 34 -7.258 -1.735 -3.102 736 2HD1 LEU 34 1HD1 LEU 34 -6.081 -0.838 -4.062 737 3HD1 LEU 34 3HD1 LEU 34 -6.392 -2.541 -4.409 738 1HD2 LEU 34 1HD2 LEU 34 -3.781 -1.082 -1.467 739 2HD2 LEU 34 3HD2 LEU 34 -3.483 -1.043 -3.211 740 3HD2 LEU 34 2HD2 LEU 34 -4.803 -0.101 -2.519 741 H TRP 35 H TRP 35 -4.490 -4.873 0.168 742 HA TRP 35 HA TRP 35 -2.704 -6.122 -1.721 743 1HB TRP 35 2HB TRP 35 -2.199 -5.184 0.547 744 2HB TRP 35 1HB TRP 35 -2.998 -6.591 1.246 745 HD1 TRP 35 HD1 TRP 35 -1.587 -8.728 1.468 746 HE1 TRP 35 HE1 TRP 35 0.707 -9.477 0.627 747 HE3 TRP 35 HE3 TRP 35 -0.502 -4.861 -1.648 748 HZ2 TRP 35 HZ2 TRP 35 2.763 -8.537 -1.124 749 HZ3 TRP 35 HZ3 TRP 35 1.625 -4.823 -2.897 750 HH2 TRP 35 HH2 TRP 35 3.246 -6.638 -2.634 751 H ASP 36 H ASP 36 -5.211 -7.426 0.521 752 HA ASP 36 HA ASP 36 -4.777 -10.220 0.090 753 1HB ASP 36 2HB ASP 36 -7.074 -8.486 1.001 754 2HB ASP 36 1HB ASP 36 -7.353 -10.199 0.727 755 H ASP 37 H ASP 37 -7.067 -7.932 -1.454 756 HA ASP 37 HA ASP 37 -7.109 -9.706 -3.822 757 1HB ASP 37 2HB ASP 37 -9.383 -8.816 -2.068 758 2HB ASP 37 1HB ASP 37 -9.686 -9.103 -3.781 759 HA PRO 38 HA PRO 38 -6.542 -5.281 -5.018 760 1HB PRO 38 2HB PRO 38 -4.772 -5.747 -7.019 761 2HB PRO 38 1HB PRO 38 -4.297 -5.555 -5.330 762 1HG PRO 38 2HG PRO 38 -4.682 -8.069 -6.895 763 2HG PRO 38 1HG PRO 38 -3.391 -7.646 -5.760 764 1HD PRO 38 1HD PRO 38 -5.458 -9.232 -5.057 765 2HD PRO 38 2HD PRO 38 -4.675 -8.122 -3.906 766 H SER 39 H SER 39 -7.931 -8.069 -6.433 767 HA SER 39 HA SER 39 -8.438 -7.252 -9.142 768 1HB SER 39 2HB SER 39 -9.034 -9.398 -7.522 769 2HB SER 39 1HB SER 39 -10.607 -8.623 -7.650 770 HG SER 39 HG SER 39 -10.601 -8.933 -9.797 771 H GLN 40 H GLN 40 -9.905 -6.478 -6.019 772 HA GLN 40 HA GLN 40 -11.983 -4.696 -7.182 773 1HB GLN 40 2HB GLN 40 -11.316 -4.987 -4.258 774 2HB GLN 40 1HB GLN 40 -12.881 -4.676 -4.998 775 1HG GLN 40 2HG GLN 40 -12.422 -7.118 -6.019 776 2HG GLN 40 1HG GLN 40 -11.438 -7.236 -4.557 777 1HE2 GLN 40 1HE2 GLN 40 -12.910 -5.867 -2.650 778 2HE2 GLN 40 2HE2 GLN 40 -14.439 -6.575 -2.459 779 H SER 41 H SER 41 -8.793 -4.195 -7.058 780 HA SER 41 HA SER 41 -8.201 -2.125 -5.254 781 1HB SER 41 2HB SER 41 -6.430 -1.565 -6.893 782 2HB SER 41 1HB SER 41 -6.545 -3.279 -6.530 783 HG SER 41 HG SER 41 -7.298 -1.871 -8.850 784 H ALA 42 H ALA 42 -9.644 -1.843 -8.537 785 HA ALA 42 HA ALA 42 -9.680 1.045 -8.645 786 1HB ALA 42 2HB ALA 42 -11.475 -1.075 -9.898 787 2HB ALA 42 1HB ALA 42 -11.420 0.615 -10.401 788 3HB ALA 42 3HB ALA 42 -10.004 -0.414 -10.608 789 H ASN 43 H ASN 43 -12.038 -1.404 -7.533 790 HA ASN 43 HA ASN 43 -14.078 0.411 -6.665 791 1HB ASN 43 2HB ASN 43 -14.345 -2.032 -7.164 792 2HB ASN 43 1HB ASN 43 -13.418 -2.393 -5.708 793 1HD2 ASN 43 1HD2 ASN 43 -16.426 -0.704 -6.776 794 2HD2 ASN 43 2HD2 ASN 43 -17.249 -0.941 -5.310 795 H LEU 44 H LEU 44 -11.169 -0.950 -5.076 796 HA LEU 44 HA LEU 44 -11.789 -0.158 -2.371 797 1HB LEU 44 2HB LEU 44 -9.504 -1.138 -3.980 798 2HB LEU 44 1HB LEU 44 -9.061 -0.236 -2.535 799 HG LEU 44 HG LEU 44 -11.232 -2.196 -2.140 800 1HD1 LEU 44 3HD1 LEU 44 -8.765 -2.970 -3.484 801 2HD1 LEU 44 2HD1 LEU 44 -8.926 -3.773 -1.918 802 3HD1 LEU 44 1HD1 LEU 44 -10.198 -3.948 -3.133 803 1HD2 LEU 44 3HD2 LEU 44 -8.797 -1.115 -0.743 804 2HD2 LEU 44 2HD2 LEU 44 -10.474 -1.212 -0.183 805 3HD2 LEU 44 1HD2 LEU 44 -9.463 -2.665 -0.206 806 H LEU 45 H LEU 45 -9.833 1.312 -4.880 807 HA LEU 45 HA LEU 45 -9.002 3.694 -3.593 808 1HB LEU 45 2HB LEU 45 -8.042 2.978 -5.690 809 2HB LEU 45 1HB LEU 45 -9.620 2.944 -6.470 810 HG LEU 45 HG LEU 45 -9.772 5.320 -6.499 811 1HD1 LEU 45 1HD1 LEU 45 -7.647 5.127 -4.404 812 2HD1 LEU 45 3HD1 LEU 45 -7.664 6.557 -5.441 813 3HD1 LEU 45 2HD1 LEU 45 -9.081 6.157 -4.471 814 1HD2 LEU 45 3HD2 LEU 45 -8.171 4.242 -8.127 815 2HD2 LEU 45 2HD2 LEU 45 -7.837 5.940 -7.801 816 3HD2 LEU 45 1HD2 LEU 45 -6.857 4.688 -7.038 817 H ALA 46 H ALA 46 -11.899 2.993 -5.560 818 HA ALA 46 HA ALA 46 -13.148 5.583 -5.314 819 1HB ALA 46 2HB ALA 46 -15.182 4.151 -5.925 820 2HB ALA 46 1HB ALA 46 -13.808 4.006 -7.022 821 3HB ALA 46 3HB ALA 46 -14.110 2.754 -5.817 822 H GLU 47 H GLU 47 -13.472 2.511 -3.499 823 HA GLU 47 HA GLU 47 -15.444 3.258 -1.614 824 1HB GLU 47 2HB GLU 47 -14.193 0.993 -2.208 825 2HB GLU 47 1HB GLU 47 -13.124 1.473 -0.896 826 1HG GLU 47 2HG GLU 47 -14.874 0.093 0.046 827 2HG GLU 47 1HG GLU 47 -15.187 1.754 0.550 828 H ALA 48 H ALA 48 -11.952 3.816 -1.685 829 HA ALA 48 HA ALA 48 -11.632 4.811 1.014 830 1HB ALA 48 2HB ALA 48 -9.528 4.492 0.197 831 2HB ALA 48 3HB ALA 48 -9.701 6.022 -0.661 832 3HB ALA 48 1HB ALA 48 -10.105 4.492 -1.475 833 H LYS 49 H LYS 49 -12.047 6.447 -2.154 834 HA LYS 49 HA LYS 49 -12.210 9.152 -1.176 835 1HB LYS 49 2HB LYS 49 -13.329 7.781 -3.648 836 2HB LYS 49 1HB LYS 49 -13.236 9.529 -3.443 837 1HG LYS 49 2HG LYS 49 -10.774 9.359 -3.181 838 2HG LYS 49 1HG LYS 49 -10.874 7.617 -3.429 839 1HD LYS 49 2HD LYS 49 -12.001 8.125 -5.659 840 2HD LYS 49 1HD LYS 49 -11.531 9.808 -5.411 841 1HE LYS 49 2HE LYS 49 -9.146 8.574 -4.918 842 2HE LYS 49 1HE LYS 49 -9.843 7.464 -6.113 843 1HZ LYS 49 2HZ LYS 49 -10.333 9.365 -7.540 844 2HZ LYS 49 1HZ LYS 49 -9.635 10.421 -6.403 845 3HZ LYS 49 3HZ LYS 49 -8.671 9.278 -7.204 846 H LYS 50 H LYS 50 -14.763 6.726 -1.896 847 HA LYS 50 HA LYS 50 -17.024 8.414 -1.300 848 1HB LYS 50 2HB LYS 50 -16.624 5.401 -1.223 849 2HB LYS 50 1HB LYS 50 -18.200 6.188 -1.133 850 1HG LYS 50 2HG LYS 50 -17.775 7.277 -3.324 851 2HG LYS 50 1HG LYS 50 -16.224 6.459 -3.428 852 1HD LYS 50 2HD LYS 50 -18.970 5.171 -3.423 853 2HD LYS 50 1HD LYS 50 -17.807 5.209 -4.749 854 1HE LYS 50 2HE LYS 50 -16.212 3.908 -3.259 855 2HE LYS 50 1HE LYS 50 -17.560 3.680 -2.136 856 1HZ LYS 50 1HZ LYS 50 -18.862 2.744 -3.956 857 2HZ LYS 50 3HZ LYS 50 -17.555 2.941 -5.022 858 3HZ LYS 50 2HZ LYS 50 -17.435 1.855 -3.720 859 H LEU 51 H LEU 51 -15.098 6.185 0.751 860 HA LEU 51 HA LEU 51 -16.664 6.527 3.168 861 1HB LEU 51 2HB LEU 51 -15.180 4.625 2.834 862 2HB LEU 51 1HB LEU 51 -13.794 5.685 2.608 863 HG LEU 51 HG LEU 51 -13.815 6.347 4.921 864 1HD1 LEU 51 2HD1 LEU 51 -16.583 5.265 4.845 865 2HD1 LEU 51 1HD1 LEU 51 -15.685 4.966 6.332 866 3HD1 LEU 51 3HD1 LEU 51 -15.927 6.621 5.770 867 1HD2 LEU 51 3HD2 LEU 51 -14.100 3.420 4.341 868 2HD2 LEU 51 2HD2 LEU 51 -12.670 4.328 4.828 869 3HD2 LEU 51 1HD2 LEU 51 -13.915 3.941 6.013 870 H ASN 52 H ASN 52 -13.850 8.242 1.792 871 HA ASN 52 HA ASN 52 -13.212 9.944 3.985 872 1HB ASN 52 2HB ASN 52 -11.714 10.706 2.463 873 2HB ASN 52 1HB ASN 52 -12.332 9.450 1.424 874 1HD2 ASN 52 1HD2 ASN 52 -11.105 11.758 0.318 875 2HD2 ASN 52 2HD2 ASN 52 -12.284 12.703 -0.453 876 H ASP 53 H ASP 53 -15.831 10.074 1.611 877 HA ASP 53 HA ASP 53 -16.637 12.768 1.975 878 1HB ASP 53 2HB ASP 53 -17.269 10.911 0.235 879 2HB ASP 53 1HB ASP 53 -18.562 10.537 1.375 880 H ALA 54 H ALA 54 -17.424 9.783 3.758 881 HA ALA 54 HA ALA 54 -19.673 10.747 5.274 882 1HB ALA 54 1HB ALA 54 -18.653 8.381 4.856 883 2HB ALA 54 3HB ALA 54 -17.633 8.749 6.250 884 3HB ALA 54 2HB ALA 54 -19.389 8.707 6.428 885 H GLN 55 H GLN 55 -16.165 10.926 5.818 886 HA GLN 55 HA GLN 55 -16.416 12.144 8.492 887 1HB GLN 55 2HB GLN 55 -14.165 11.487 6.566 888 2HB GLN 55 1HB GLN 55 -13.878 12.190 8.147 889 1HG GLN 55 2HG GLN 55 -14.865 10.282 9.265 890 2HG GLN 55 1HG GLN 55 -15.413 9.608 7.726 891 1HE2 GLN 55 1HE2 GLN 55 -13.295 9.719 6.074 892 2HE2 GLN 55 2HE2 GLN 55 -11.953 8.895 6.715 893 H ALA 56 H ALA 56 -15.664 13.136 5.150 894 HA ALA 56 HA ALA 56 -16.199 15.987 5.799 895 1HB ALA 56 3HB ALA 56 -13.935 16.163 6.146 896 2HB ALA 56 2HB ALA 56 -13.596 14.683 5.242 897 3HB ALA 56 1HB ALA 56 -13.885 16.197 4.381 898 HA PRO 57 HA PRO 57 -17.875 15.590 1.675 899 1HB PRO 57 2HB PRO 57 -18.065 18.225 0.963 900 2HB PRO 57 1HB PRO 57 -19.169 17.450 2.117 901 1HG PRO 57 2HG PRO 57 -16.824 19.201 2.627 902 2HG PRO 57 1HG PRO 57 -18.385 19.134 3.459 903 1HD PRO 57 1HD PRO 57 -16.086 18.018 4.437 904 2HD PRO 57 2HD PRO 57 -17.717 17.433 4.840 905 H LYS 58 H LYS 58 -17.110 15.535 -0.485 906 HA LYS 58 HA LYS 58 -14.235 16.132 -0.879 907 1HB LYS 58 2HB LYS 58 -16.370 14.738 -2.526 908 2HB LYS 58 1HB LYS 58 -14.724 14.977 -3.109 909 1HG LYS 58 2HG LYS 58 -14.011 13.876 -0.860 910 2HG LYS 58 1HG LYS 58 -15.673 13.302 -0.790 911 1HD LYS 58 2HD LYS 58 -13.844 12.848 -3.169 912 2HD LYS 58 1HD LYS 58 -14.045 11.684 -1.865 913 1HE LYS 58 2HE LYS 58 -16.355 12.727 -3.553 914 2HE LYS 58 1HE LYS 58 -15.510 11.201 -3.864 915 1HZ LYS 58 1HZ LYS 58 -15.960 10.739 -1.387 916 2HZ LYS 58 3HZ LYS 58 -17.126 11.965 -1.516 917 3HZ LYS 58 2HZ LYS 58 -17.249 10.576 -2.481 No H/Q in entry = 917 Start of MODEL 10 1 H1 VAL 1 2H VAL 1 -0.935 -14.542 10.450 2 H2 VAL 1 1H VAL 1 -2.391 -15.178 9.849 3 H3 VAL 1 3H VAL 1 -2.397 -13.729 10.730 4 HA VAL 1 HA VAL 1 -1.869 -14.818 12.762 5 HB VAL 1 HB VAL 1 -3.946 -16.236 11.048 6 1HG1 VAL 1 2HG1 VAL 1 -3.388 -16.474 14.016 7 2HG1 VAL 1 1HG1 VAL 1 -4.955 -16.868 13.313 8 3HG1 VAL 1 3HG1 VAL 1 -3.521 -17.775 12.832 9 1HG2 VAL 1 1HG2 VAL 1 -4.030 -13.983 13.077 10 2HG2 VAL 1 3HG2 VAL 1 -4.472 -13.914 11.370 11 3HG2 VAL 1 2HG2 VAL 1 -5.480 -14.810 12.506 12 H ASP 2 H ASP 2 -2.153 -17.408 10.262 13 HA ASP 2 HA ASP 2 -0.739 -19.422 11.740 14 1HB ASP 2 2HB ASP 2 -1.186 -18.997 8.761 15 2HB ASP 2 1HB ASP 2 -0.589 -20.499 9.465 16 H ASN 3 H ASN 3 0.400 -17.038 9.321 17 HA ASN 3 HA ASN 3 3.214 -17.544 10.216 18 1HB ASN 3 2HB ASN 3 2.607 -18.751 8.082 19 2HB ASN 3 1HB ASN 3 2.274 -17.184 7.348 20 1HD2 ASN 3 1HD2 ASN 3 4.931 -19.043 8.931 21 2HD2 ASN 3 2HD2 ASN 3 6.178 -18.225 8.122 22 H LYS 4 H LYS 4 4.586 -15.689 10.029 23 HA LYS 4 HA LYS 4 3.427 -13.117 10.512 24 1HB LYS 4 2HB LYS 4 5.783 -12.317 10.209 25 2HB LYS 4 1HB LYS 4 5.675 -13.728 11.259 26 1HG LYS 4 2HG LYS 4 6.254 -15.159 9.248 27 2HG LYS 4 1HG LYS 4 6.532 -13.670 8.349 28 1HD LYS 4 2HD LYS 4 8.277 -12.998 9.911 29 2HD LYS 4 1HD LYS 4 7.958 -14.410 10.917 30 1HE LYS 4 2HE LYS 4 9.215 -15.758 9.585 31 2HE LYS 4 1HE LYS 4 8.460 -15.123 8.112 32 1HZ LYS 4 3HZ LYS 4 9.809 -13.097 8.373 33 2HZ LYS 4 2HZ LYS 4 10.584 -13.788 9.718 34 3HZ LYS 4 1HZ LYS 4 10.774 -14.476 8.178 35 H PHE 5 H PHE 5 4.686 -14.520 7.465 36 HA PHE 5 HA PHE 5 4.648 -12.188 5.872 37 1HB PHE 5 2HB PHE 5 4.209 -15.094 5.156 38 2HB PHE 5 1HB PHE 5 4.524 -13.826 3.978 39 HD1 PHE 5 HD1 PHE 5 6.483 -12.313 6.045 40 HD2 PHE 5 HD2 PHE 5 6.242 -16.313 4.475 41 HE1 PHE 5 HE1 PHE 5 8.911 -12.601 6.403 42 HE2 PHE 5 HE2 PHE 5 8.676 -16.596 4.850 43 HZ PHE 5 HZ PHE 5 10.007 -14.742 5.816 44 H ASN 6 H ASN 6 1.901 -14.171 6.915 45 HA ASN 6 HA ASN 6 -0.027 -13.579 4.936 46 1HB ASN 6 2HB ASN 6 -0.211 -13.854 7.953 47 2HB ASN 6 1HB ASN 6 -1.640 -13.704 6.936 48 1HD2 ASN 6 1HD2 ASN 6 -1.285 -15.352 4.813 49 2HD2 ASN 6 2HD2 ASN 6 -0.909 -16.935 5.291 50 H LYS 7 H LYS 7 0.657 -11.616 7.905 51 HA LYS 7 HA LYS 7 -0.786 -9.323 6.670 52 1HB LYS 7 2HB LYS 7 -1.399 -9.792 8.918 53 2HB LYS 7 1HB LYS 7 0.297 -9.867 9.440 54 1HG LYS 7 2HG LYS 7 0.500 -7.439 8.786 55 2HG LYS 7 1HG LYS 7 -1.234 -7.438 8.466 56 1HD LYS 7 2HD LYS 7 -1.768 -7.850 10.713 57 2HD LYS 7 1HD LYS 7 -0.111 -8.334 11.101 58 1HE LYS 7 2HE LYS 7 -0.631 -5.541 10.083 59 2HE LYS 7 1HE LYS 7 -0.929 -5.917 11.789 60 1HZ LYS 7 2HZ LYS 7 1.602 -6.480 10.317 61 2HZ LYS 7 1HZ LYS 7 1.373 -5.217 11.429 62 3HZ LYS 7 3HZ LYS 7 1.308 -6.827 11.956 63 H GLU 8 H GLU 8 2.538 -10.287 7.497 64 HA GLU 8 HA GLU 8 3.849 -7.792 7.539 65 1HB GLU 8 2HB GLU 8 4.621 -10.567 6.679 66 2HB GLU 8 1HB GLU 8 5.749 -9.241 6.422 67 1HG GLU 8 2HG GLU 8 4.518 -10.029 9.081 68 2HG GLU 8 1HG GLU 8 6.184 -10.339 8.571 69 H GLN 9 H GLN 9 2.746 -9.708 4.770 70 HA GLN 9 HA GLN 9 3.991 -8.136 2.771 71 1HB GLN 9 2HB GLN 9 1.539 -9.895 2.766 72 2HB GLN 9 1HB GLN 9 2.229 -9.180 1.316 73 1HG GLN 9 2HG GLN 9 4.348 -10.332 1.700 74 2HG GLN 9 1HG GLN 9 3.717 -11.029 3.191 75 1HE2 GLN 9 1HE2 GLN 9 2.854 -10.837 -0.325 76 2HE2 GLN 9 2HE2 GLN 9 2.221 -12.411 -0.394 77 H GLN 10 H GLN 10 0.785 -7.900 4.359 78 HA GLN 10 HA GLN 10 0.013 -5.501 2.824 79 1HB GLN 10 2HB GLN 10 -1.526 -5.525 5.129 80 2HB GLN 10 1HB GLN 10 -2.026 -6.004 3.541 81 1HG GLN 10 2HG GLN 10 -0.699 -7.959 5.402 82 2HG GLN 10 1HG GLN 10 -2.418 -7.617 5.503 83 1HE2 GLN 10 1HE2 GLN 10 -3.734 -8.051 3.481 84 2HE2 GLN 10 2HE2 GLN 10 -3.190 -9.235 2.394 85 H ASN 11 H ASN 11 1.426 -6.129 6.030 86 HA ASN 11 HA ASN 11 1.301 -3.376 6.896 87 1HB ASN 11 2HB ASN 11 1.845 -5.597 8.196 88 2HB ASN 11 1HB ASN 11 3.498 -5.315 7.648 89 1HD2 ASN 11 1HD2 ASN 11 4.686 -3.548 8.602 90 2HD2 ASN 11 2HD2 ASN 11 4.072 -2.636 9.893 91 H ALA 12 H ALA 12 3.774 -5.321 5.179 92 HA ALA 12 HA ALA 12 5.710 -3.195 4.864 93 1HB ALA 12 1HB ALA 12 5.135 -5.857 3.550 94 2HB ALA 12 2HB ALA 12 6.503 -5.408 4.582 95 3HB ALA 12 3HB ALA 12 6.403 -4.792 2.927 96 H PHE 13 H PHE 13 3.107 -4.518 2.792 97 HA PHE 13 HA PHE 13 3.418 -2.851 0.489 98 1HB PHE 13 2HB PHE 13 1.916 -4.785 0.479 99 2HB PHE 13 1HB PHE 13 1.031 -4.168 1.867 100 HD1 PHE 13 HD1 PHE 13 2.127 -2.534 -1.317 101 HD2 PHE 13 HD2 PHE 13 -1.131 -3.670 1.216 102 HE1 PHE 13 HE1 PHE 13 0.540 -1.485 -2.881 103 HE2 PHE 13 HE2 PHE 13 -2.717 -2.600 -0.338 104 HZ PHE 13 HZ PHE 13 -1.883 -1.510 -2.380 105 H TYR 14 H TYR 14 1.266 -2.492 3.287 106 HA TYR 14 HA TYR 14 0.200 0.067 2.872 107 1HB TYR 14 2HB TYR 14 -0.424 -1.641 4.545 108 2HB TYR 14 1HB TYR 14 1.034 -1.251 5.456 109 HD1 TYR 14 HD1 TYR 14 -2.167 0.100 4.190 110 HD2 TYR 14 HD2 TYR 14 1.164 0.724 6.803 111 HE1 TYR 14 HE1 TYR 14 -3.377 1.828 5.269 112 HE2 TYR 14 HE2 TYR 14 -0.067 2.566 7.903 113 HH TYR 14 HH TYR 14 -2.469 3.248 8.231 114 H GLU 15 H GLU 15 3.054 -0.788 4.932 115 HA GLU 15 HA GLU 15 3.824 1.878 5.559 116 1HB GLU 15 2HB GLU 15 5.373 -0.718 5.335 117 2HB GLU 15 1HB GLU 15 6.085 0.771 5.961 118 1HG GLU 15 2HG GLU 15 3.655 -0.661 7.108 119 2HG GLU 15 1HG GLU 15 5.263 -0.634 7.815 120 H ILE 16 H ILE 16 4.790 -0.223 2.776 121 HA ILE 16 HA ILE 16 6.659 1.583 1.557 122 HB ILE 16 HB ILE 16 4.835 -0.642 0.696 123 1HG1 ILE 16 2HG1 ILE 16 7.716 -0.359 0.005 124 2HG1 ILE 16 1HG1 ILE 16 7.307 -0.563 1.703 125 1HG2 ILE 16 3HG2 ILE 16 6.141 1.297 -1.208 126 2HG2 ILE 16 2HG2 ILE 16 5.917 -0.396 -1.658 127 3HG2 ILE 16 1HG2 ILE 16 4.519 0.608 -1.274 128 1HD1 ILE 16 3HD1 ILE 16 5.725 -2.467 0.543 129 2HD1 ILE 16 2HD1 ILE 16 7.152 -2.498 -0.506 130 3HD1 ILE 16 1HD1 ILE 16 7.338 -2.767 1.227 131 H LEU 17 H LEU 17 3.105 1.336 1.160 132 HA LEU 17 HA LEU 17 2.815 3.645 -0.593 133 1HB LEU 17 2HB LEU 17 0.855 2.317 1.322 134 2HB LEU 17 1HB LEU 17 0.415 3.441 0.041 135 HG LEU 17 HG LEU 17 2.047 1.255 -0.972 136 1HD1 LEU 17 3HD1 LEU 17 0.285 0.458 1.021 137 2HD1 LEU 17 2HD1 LEU 17 -0.614 0.205 -0.481 138 3HD1 LEU 17 1HD1 LEU 17 0.958 -0.552 -0.252 139 1HD2 LEU 17 3HD2 LEU 17 0.350 2.930 -2.103 140 2HD2 LEU 17 2HD2 LEU 17 0.534 1.260 -2.696 141 3HD2 LEU 17 1HD2 LEU 17 -0.819 1.668 -1.624 142 H HIS 18 H HIS 18 2.635 3.240 2.968 143 HA HIS 18 HA HIS 18 1.932 6.062 3.410 144 1HB HIS 18 2HB HIS 18 2.478 3.657 5.167 145 2HB HIS 18 1HB HIS 18 2.162 5.251 5.847 146 HD1 HIS 18 HD1 HIS 18 -0.275 6.114 5.777 147 HD2 HIS 18 HD2 HIS 18 0.174 2.468 3.837 148 HE1 HIS 18 HE1 HIS 18 -2.593 5.195 5.228 149 H LEU 19 H LEU 19 4.926 4.635 2.691 150 HA LEU 19 HA LEU 19 6.633 5.959 4.636 151 1HB LEU 19 2HB LEU 19 6.943 4.505 2.029 152 2HB LEU 19 1HB LEU 19 8.274 5.546 2.522 153 HG LEU 19 HG LEU 19 7.081 3.341 4.243 154 1HD1 LEU 19 3HD1 LEU 19 9.565 3.438 2.514 155 2HD1 LEU 19 2HD1 LEU 19 9.360 2.260 3.810 156 3HD1 LEU 19 1HD1 LEU 19 8.251 2.265 2.439 157 1HD2 LEU 19 3HD2 LEU 19 8.648 5.582 4.947 158 2HD2 LEU 19 2HD2 LEU 19 8.296 4.169 5.942 159 3HD2 LEU 19 1HD2 LEU 19 9.749 4.205 4.943 160 HA PRO 20 HA PRO 20 5.911 10.045 2.984 161 1HB PRO 20 2HB PRO 20 7.904 11.342 4.361 162 2HB PRO 20 1HB PRO 20 6.336 10.894 5.062 163 1HG PRO 20 2HG PRO 20 8.959 9.478 5.241 164 2HG PRO 20 1HG PRO 20 7.767 9.803 6.513 165 1HD PRO 20 1HD PRO 20 7.933 7.398 5.349 166 2HD PRO 20 2HD PRO 20 6.365 8.090 5.824 167 H ASN 21 H ASN 21 9.000 8.337 2.533 168 HA ASN 21 HA ASN 21 9.712 10.391 0.468 169 1HB ASN 21 2HB ASN 21 11.362 8.577 2.217 170 2HB ASN 21 1HB ASN 21 12.054 9.419 0.833 171 1HD2 ASN 21 1HD2 ASN 21 11.487 9.750 4.156 172 2HD2 ASN 21 2HD2 ASN 21 11.581 11.439 4.257 173 H LEU 22 H LEU 22 8.229 7.415 0.563 174 HA LEU 22 HA LEU 22 9.674 6.227 -1.744 175 1HB LEU 22 2HB LEU 22 7.357 5.440 0.029 176 2HB LEU 22 1HB LEU 22 7.536 4.660 -1.534 177 HG LEU 22 HG LEU 22 9.135 4.326 0.947 178 1HD1 LEU 22 2HD1 LEU 22 8.421 2.662 -1.471 179 2HD1 LEU 22 1HD1 LEU 22 9.479 2.064 -0.185 180 3HD1 LEU 22 3HD1 LEU 22 7.802 2.499 0.175 181 1HD2 LEU 22 1HD2 LEU 22 10.444 4.400 -1.791 182 2HD2 LEU 22 3HD2 LEU 22 10.926 5.290 -0.330 183 3HD2 LEU 22 2HD2 LEU 22 11.125 3.529 -0.410 184 H ASN 23 H ASN 23 9.018 6.570 -3.828 185 HA ASN 23 HA ASN 23 6.598 8.289 -4.240 186 1HB ASN 23 2HB ASN 23 7.741 8.809 -6.456 187 2HB ASN 23 1HB ASN 23 8.563 9.375 -5.020 188 1HD2 ASN 23 1HD2 ASN 23 10.742 8.708 -4.760 189 2HD2 ASN 23 2HD2 ASN 23 11.486 7.517 -5.714 190 H GLU 24 H GLU 24 5.900 7.956 -6.745 191 HA GLU 24 HA GLU 24 4.352 5.580 -6.866 192 1HB GLU 24 2HB GLU 24 4.188 7.828 -8.145 193 2HB GLU 24 1HB GLU 24 5.357 7.136 -9.268 194 1HG GLU 24 2HG GLU 24 3.360 6.526 -10.297 195 2HG GLU 24 1HG GLU 24 3.667 5.101 -9.310 196 H GLU 25 H GLU 25 7.583 6.268 -8.233 197 HA GLU 25 HA GLU 25 7.796 3.734 -9.669 198 1HB GLU 25 2HB GLU 25 8.994 5.863 -10.216 199 2HB GLU 25 1HB GLU 25 9.922 5.692 -8.729 200 1HG GLU 25 2HG GLU 25 10.711 3.442 -9.572 201 2HG GLU 25 1HG GLU 25 9.935 3.817 -11.111 202 H GLN 26 H GLN 26 9.230 4.937 -6.572 203 HA GLN 26 HA GLN 26 10.573 2.454 -5.917 204 1HB GLN 26 2HB GLN 26 9.709 4.806 -4.216 205 2HB GLN 26 1HB GLN 26 10.816 3.545 -3.686 206 1HG GLN 26 2HG GLN 26 11.276 5.342 -6.092 207 2HG GLN 26 1HG GLN 26 12.006 5.584 -4.509 208 1HE2 GLN 26 1HE2 GLN 26 13.769 4.161 -3.888 209 2HE2 GLN 26 2HE2 GLN 26 14.460 3.054 -4.972 210 H ARG 27 H ARG 27 7.560 3.898 -4.585 211 HA ARG 27 HA ARG 27 6.846 1.746 -2.848 212 1HB ARG 27 2HB ARG 27 5.756 3.867 -2.665 213 2HB ARG 27 1HB ARG 27 5.338 3.904 -4.375 214 1HG ARG 27 2HG ARG 27 3.832 1.901 -3.938 215 2HG ARG 27 1HG ARG 27 4.104 2.170 -2.218 216 1HD ARG 27 2HD ARG 27 2.031 3.283 -2.918 217 2HD ARG 27 1HD ARG 27 3.240 4.504 -2.507 218 HE ARG 27 HE ARG 27 2.946 3.617 -5.350 219 1HH1 ARG 27 1HH1 ARG 27 1.152 5.420 -5.848 220 2HH1 ARG 27 2HH1 ARG 27 1.818 7.009 -5.679 221 1HH2 ARG 27 1HH2 ARG 27 4.579 5.950 -3.849 222 2HH2 ARG 27 2HH2 ARG 27 3.762 7.310 -4.543 223 H ASN 28 H ASN 28 5.869 2.321 -6.308 224 HA ASN 28 HA ASN 28 4.151 0.021 -6.587 225 1HB ASN 28 2HB ASN 28 4.193 2.020 -8.030 226 2HB ASN 28 1HB ASN 28 5.772 1.589 -8.582 227 1HD2 ASN 28 1HD2 ASN 28 3.542 1.934 -10.352 228 2HD2 ASN 28 2HD2 ASN 28 3.186 0.432 -11.059 229 H ALA 29 H ALA 29 7.577 0.514 -7.567 230 HA ALA 29 HA ALA 29 8.089 -2.109 -8.588 231 1HB ALA 29 2HB ALA 29 9.620 -0.303 -8.933 232 2HB ALA 29 3HB ALA 29 10.465 -1.464 -7.907 233 3HB ALA 29 1HB ALA 29 9.758 -0.010 -7.201 234 H PHE 30 H PHE 30 8.098 -0.784 -5.312 235 HA PHE 30 HA PHE 30 9.177 -3.049 -3.893 236 1HB PHE 30 2HB PHE 30 7.654 -0.541 -3.371 237 2HB PHE 30 1HB PHE 30 7.565 -1.791 -2.131 238 HD1 PHE 30 HD1 PHE 30 8.977 -1.364 -0.461 239 HD2 PHE 30 HD2 PHE 30 10.352 -0.699 -4.450 240 HE1 PHE 30 HE1 PHE 30 11.171 -0.823 0.374 241 HE2 PHE 30 HE2 PHE 30 12.616 -0.164 -3.568 242 HZ PHE 30 HZ PHE 30 13.015 -0.293 -1.138 243 H ILE 31 H ILE 31 5.878 -1.949 -4.631 244 HA ILE 31 HA ILE 31 4.455 -4.161 -3.426 245 HB ILE 31 HB ILE 31 3.812 -2.132 -5.596 246 1HG1 ILE 31 2HG1 ILE 31 2.772 -2.294 -2.792 247 2HG1 ILE 31 1HG1 ILE 31 4.328 -1.546 -3.100 248 1HG2 ILE 31 1HG2 ILE 31 2.347 -4.463 -4.597 249 2HG2 ILE 31 3HG2 ILE 31 1.465 -2.945 -4.515 250 3HG2 ILE 31 2HG2 ILE 31 2.103 -3.515 -6.051 251 1HD1 ILE 31 1HD1 ILE 31 1.722 -0.768 -4.421 252 2HD1 ILE 31 3HD1 ILE 31 2.493 0.099 -3.084 253 3HD1 ILE 31 2HD1 ILE 31 3.298 0.015 -4.652 254 H GLN 32 H GLN 32 6.158 -3.751 -6.561 255 HA GLN 32 HA GLN 32 4.999 -6.130 -7.803 256 1HB GLN 32 2HB GLN 32 7.497 -4.471 -8.281 257 2HB GLN 32 1HB GLN 32 7.051 -5.834 -9.306 258 1HG GLN 32 2HG GLN 32 4.909 -4.760 -9.839 259 2HG GLN 32 1HG GLN 32 5.296 -3.411 -8.777 260 1HE2 GLN 32 1HE2 GLN 32 6.585 -5.123 -11.689 261 2HE2 GLN 32 2HE2 GLN 32 7.278 -3.733 -12.371 262 H SER 33 H SER 33 8.108 -5.453 -6.108 263 HA SER 33 HA SER 33 9.033 -8.198 -6.027 264 1HB SER 33 2HB SER 33 10.557 -7.219 -4.250 265 2HB SER 33 1HB SER 33 10.602 -6.417 -5.815 266 HG SER 33 HG SER 33 10.341 -4.783 -4.422 267 H LEU 34 H LEU 34 6.895 -6.309 -3.989 268 HA LEU 34 HA LEU 34 6.873 -8.139 -1.711 269 1HB LEU 34 2HB LEU 34 6.564 -5.650 -1.692 270 2HB LEU 34 1HB LEU 34 5.052 -5.858 -2.560 271 HG LEU 34 HG LEU 34 4.277 -7.296 -0.607 272 1HD1 LEU 34 1HD1 LEU 34 6.804 -6.144 0.560 273 2HD1 LEU 34 3HD1 LEU 34 5.485 -6.792 1.536 274 3HD1 LEU 34 2HD1 LEU 34 6.359 -7.846 0.423 275 1HD2 LEU 34 2HD2 LEU 34 3.702 -4.863 -0.982 276 2HD2 LEU 34 1HD2 LEU 34 3.661 -5.375 0.702 277 3HD2 LEU 34 3HD2 LEU 34 5.034 -4.455 0.099 278 H LYS 35 H LYS 35 4.580 -7.408 -4.403 279 HA LYS 35 HA LYS 35 2.598 -9.370 -3.591 280 1HB LYS 35 2HB LYS 35 3.104 -7.552 -5.909 281 2HB LYS 35 1HB LYS 35 2.050 -8.898 -6.214 282 1HG LYS 35 2HG LYS 35 1.137 -7.962 -3.790 283 2HG LYS 35 1HG LYS 35 1.519 -6.499 -4.700 284 1HD LYS 35 2HD LYS 35 -0.046 -6.947 -6.342 285 2HD LYS 35 1HD LYS 35 0.040 -8.690 -6.101 286 1HE LYS 35 2HE LYS 35 -0.938 -7.228 -3.728 287 2HE LYS 35 1HE LYS 35 -1.996 -7.091 -5.144 288 1HZ LYS 35 3HZ LYS 35 -0.871 -9.643 -4.098 289 2HZ LYS 35 2HZ LYS 35 -2.459 -9.103 -3.833 290 3HZ LYS 35 1HZ LYS 35 -1.941 -9.483 -5.406 291 H ASP 36 H ASP 36 5.324 -9.426 -5.913 292 HA ASP 36 HA ASP 36 4.775 -12.151 -6.827 293 1HB ASP 36 2HB ASP 36 7.182 -10.308 -7.056 294 2HB ASP 36 1HB ASP 36 7.056 -11.857 -7.880 295 H ASP 37 H ASP 37 6.937 -10.693 -4.344 296 HA ASP 37 HA ASP 37 7.700 -13.471 -3.480 297 1HB ASP 37 2HB ASP 37 9.409 -11.662 -4.386 298 2HB ASP 37 1HB ASP 37 9.272 -11.010 -2.753 299 HA PRO 38 HA PRO 38 5.087 -12.037 -0.015 300 1HB PRO 38 2HB PRO 38 4.701 -14.543 1.026 301 2HB PRO 38 1HB PRO 38 3.767 -13.899 -0.341 302 1HG PRO 38 2HG PRO 38 6.125 -15.724 -0.370 303 2HG PRO 38 1HG PRO 38 4.612 -15.818 -1.292 304 1HD PRO 38 1HD PRO 38 6.874 -14.872 -2.382 305 2HD PRO 38 2HD PRO 38 5.274 -14.219 -2.803 306 H SER 39 H SER 39 7.772 -14.427 0.296 307 HA SER 39 HA SER 39 8.171 -14.052 3.126 308 1HB SER 39 2HB SER 39 10.222 -15.346 2.715 309 2HB SER 39 1HB SER 39 8.867 -16.036 1.830 310 HG SER 39 HG SER 39 11.119 -14.655 0.906 311 H GLN 40 H GLN 40 9.478 -12.278 0.333 312 HA GLN 40 HA GLN 40 11.559 -10.932 1.916 313 1HB GLN 40 2HB GLN 40 11.300 -11.487 -0.691 314 2HB GLN 40 1HB GLN 40 10.545 -9.890 -0.709 315 1HG GLN 40 2HG GLN 40 12.636 -9.140 0.645 316 2HG GLN 40 1HG GLN 40 13.362 -10.635 0.056 317 1HE2 GLN 40 1HE2 GLN 40 13.035 -7.382 -0.718 318 2HE2 GLN 40 2HE2 GLN 40 13.276 -7.486 -2.394 319 H SER 41 H SER 41 8.214 -10.540 1.989 320 HA SER 41 HA SER 41 7.742 -7.806 1.587 321 1HB SER 41 2HB SER 41 5.785 -8.185 3.071 322 2HB SER 41 1HB SER 41 6.012 -9.515 1.944 323 HG SER 41 HG SER 41 6.305 -10.786 3.594 324 H ALA 42 H ALA 42 8.800 -9.287 4.749 325 HA ALA 42 HA ALA 42 8.749 -6.787 6.194 326 1HB ALA 42 1HB ALA 42 10.578 -9.179 6.439 327 2HB ALA 42 2HB ALA 42 9.014 -8.991 7.243 328 3HB ALA 42 3HB ALA 42 10.362 -7.930 7.665 329 H ASN 43 H ASN 43 11.401 -8.452 4.433 330 HA ASN 43 HA ASN 43 13.478 -6.518 4.745 331 1HB ASN 43 2HB ASN 43 12.776 -8.764 2.985 332 2HB ASN 43 1HB ASN 43 13.731 -7.516 2.175 333 1HD2 ASN 43 1HD2 ASN 43 13.829 -8.850 5.562 334 2HD2 ASN 43 2HD2 ASN 43 15.486 -9.217 5.513 335 H LEU 44 H LEU 44 10.772 -6.807 2.463 336 HA LEU 44 HA LEU 44 11.495 -4.657 0.715 337 1HB LEU 44 2HB LEU 44 8.993 -6.154 1.401 338 2HB LEU 44 1HB LEU 44 8.939 -4.778 0.292 339 HG LEU 44 HG LEU 44 10.825 -7.115 0.024 340 1HD1 LEU 44 1HD1 LEU 44 8.249 -7.388 -0.279 341 2HD1 LEU 44 3HD1 LEU 44 8.532 -6.531 -1.793 342 3HD1 LEU 44 2HD1 LEU 44 9.352 -8.064 -1.483 343 1HD2 LEU 44 3HD2 LEU 44 10.707 -4.443 -1.078 344 2HD2 LEU 44 2HD2 LEU 44 11.896 -5.729 -1.349 345 3HD2 LEU 44 1HD2 LEU 44 10.450 -5.657 -2.370 346 H LEU 45 H LEU 45 9.418 -4.817 3.627 347 HA LEU 45 HA LEU 45 8.827 -1.968 3.476 348 1HB LEU 45 2HB LEU 45 7.429 -3.309 4.810 349 2HB LEU 45 1HB LEU 45 8.778 -4.036 5.670 350 HG LEU 45 HG LEU 45 9.239 -1.982 6.835 351 1HD1 LEU 45 1HD1 LEU 45 7.212 -0.754 4.944 352 2HD1 LEU 45 3HD1 LEU 45 7.803 0.065 6.389 353 3HD1 LEU 45 2HD1 LEU 45 8.917 -0.341 5.085 354 1HD2 LEU 45 3HD2 LEU 45 7.300 -3.398 7.585 355 2HD2 LEU 45 2HD2 LEU 45 7.205 -1.711 8.096 356 3HD2 LEU 45 1HD2 LEU 45 6.230 -2.279 6.740 357 H ALA 46 H ALA 46 11.266 -3.920 5.293 358 HA ALA 46 HA ALA 46 12.696 -1.815 6.579 359 1HB ALA 46 1HB ALA 46 13.437 -4.455 5.267 360 2HB ALA 46 3HB ALA 46 14.683 -3.436 6.008 361 3HB ALA 46 2HB ALA 46 13.357 -4.065 6.998 362 H GLU 47 H GLU 47 13.183 -3.084 3.213 363 HA GLU 47 HA GLU 47 15.306 -1.209 2.652 364 1HB GLU 47 2HB GLU 47 15.044 -1.959 0.327 365 2HB GLU 47 1HB GLU 47 15.072 -3.331 1.424 366 1HG GLU 47 2HG GLU 47 12.648 -3.431 1.319 367 2HG GLU 47 1HG GLU 47 12.659 -2.076 0.192 368 H ALA 48 H ALA 48 11.726 -1.173 2.284 369 HA ALA 48 HA ALA 48 11.607 1.333 0.844 370 1HB ALA 48 2HB ALA 48 9.907 -0.650 1.610 371 2HB ALA 48 1HB ALA 48 9.522 0.558 2.832 372 3HB ALA 48 3HB ALA 48 9.332 0.943 1.112 373 H LYS 49 H LYS 49 11.723 0.419 4.291 374 HA LYS 49 HA LYS 49 11.391 3.000 5.525 375 1HB LYS 49 2HB LYS 49 12.718 0.368 6.244 376 2HB LYS 49 1HB LYS 49 12.546 1.650 7.415 377 1HG LYS 49 2HG LYS 49 10.298 0.248 5.966 378 2HG LYS 49 1HG LYS 49 10.755 -0.031 7.634 379 1HD LYS 49 2HD LYS 49 9.908 2.658 6.573 380 2HD LYS 49 1HD LYS 49 8.783 1.499 7.272 381 1HE LYS 49 2HE LYS 49 9.978 1.510 9.381 382 2HE LYS 49 1HE LYS 49 11.245 2.542 8.693 383 1HZ LYS 49 2HZ LYS 49 8.359 3.263 8.900 384 2HZ LYS 49 1HZ LYS 49 9.591 3.863 9.902 385 3HZ LYS 49 3HZ LYS 49 9.585 4.246 8.250 386 H LYS 50 H LYS 50 14.057 1.027 4.401 387 HA LYS 50 HA LYS 50 16.312 2.647 5.115 388 1HB LYS 50 2HB LYS 50 16.638 0.347 4.656 389 2HB LYS 50 1HB LYS 50 15.591 0.401 3.256 390 1HG LYS 50 2HG LYS 50 17.514 1.990 2.307 391 2HG LYS 50 1HG LYS 50 18.484 1.075 3.464 392 1HD LYS 50 2HD LYS 50 16.620 -0.265 1.471 393 2HD LYS 50 1HD LYS 50 18.324 0.056 1.122 394 1HE LYS 50 2HE LYS 50 18.938 -1.253 3.193 395 2HE LYS 50 1HE LYS 50 17.225 -1.682 3.368 396 1HZ LYS 50 1HZ LYS 50 17.269 -2.554 1.088 397 2HZ LYS 50 3HZ LYS 50 18.926 -2.209 0.980 398 3HZ LYS 50 2HZ LYS 50 18.373 -3.371 2.086 399 H LEU 51 H LEU 51 14.232 2.417 2.225 400 HA LEU 51 HA LEU 51 15.645 4.330 0.565 401 1HB LEU 51 2HB LEU 51 13.151 2.759 0.596 402 2HB LEU 51 1HB LEU 51 12.969 4.315 -0.195 403 HG LEU 51 HG LEU 51 14.616 3.807 -1.817 404 1HD1 LEU 51 1HD1 LEU 51 15.517 1.826 0.204 405 2HD1 LEU 51 3HD1 LEU 51 15.700 1.361 -1.488 406 3HD1 LEU 51 2HD1 LEU 51 16.469 2.833 -0.886 407 1HD2 LEU 51 3HD2 LEU 51 12.594 1.774 -1.175 408 2HD2 LEU 51 2HD2 LEU 51 12.887 2.642 -2.684 409 3HD2 LEU 51 1HD2 LEU 51 13.868 1.234 -2.272 410 H ASN 52 H ASN 52 13.021 4.501 2.928 411 HA ASN 52 HA ASN 52 12.071 7.110 2.457 412 1HB ASN 52 2HB ASN 52 11.114 5.273 3.889 413 2HB ASN 52 1HB ASN 52 12.331 5.663 5.103 414 1HD2 ASN 52 1HD2 ASN 52 11.801 7.298 6.560 415 2HD2 ASN 52 2HD2 ASN 52 10.514 8.387 6.358 416 H ASP 53 H ASP 53 14.731 5.971 4.563 417 HA ASP 53 HA ASP 53 15.444 8.693 5.445 418 1HB ASP 53 2HB ASP 53 16.839 6.009 5.728 419 2HB ASP 53 1HB ASP 53 17.273 7.480 6.596 420 H ALA 54 H ALA 54 16.746 6.284 3.137 421 HA ALA 54 HA ALA 54 19.143 7.732 2.416 422 1HB ALA 54 2HB ALA 54 17.490 5.714 0.858 423 2HB ALA 54 1HB ALA 54 19.182 6.112 0.560 424 3HB ALA 54 3HB ALA 54 18.716 5.305 2.058 425 H GLN 55 H GLN 55 15.881 7.567 0.950 426 HA GLN 55 HA GLN 55 16.532 9.604 -1.092 427 1HB GLN 55 2HB GLN 55 13.961 8.176 -0.363 428 2HB GLN 55 1HB GLN 55 14.204 9.169 -1.796 429 1HG GLN 55 2HG GLN 55 16.020 7.615 -2.529 430 2HG GLN 55 1HG GLN 55 15.670 6.586 -1.135 431 1HE2 GLN 55 1HE2 GLN 55 13.003 6.338 -1.001 432 2HE2 GLN 55 2HE2 GLN 55 12.334 5.773 -2.453 433 H ALA 56 H ALA 56 15.818 9.833 2.180 434 HA ALA 56 HA ALA 56 13.721 11.794 2.293 435 1HB ALA 56 2HB ALA 56 15.603 12.116 4.426 436 2HB ALA 56 1HB ALA 56 14.027 11.327 4.474 437 3HB ALA 56 3HB ALA 56 15.467 10.392 4.069 438 HA PRO 57 HA PRO 57 15.753 15.481 1.138 439 1HB PRO 57 2HB PRO 57 14.383 17.302 2.663 440 2HB PRO 57 1HB PRO 57 13.696 16.516 1.228 441 1HG PRO 57 2HG PRO 57 13.312 15.850 4.108 442 2HG PRO 57 1HG PRO 57 12.127 15.895 2.791 443 1HD PRO 57 1HD PRO 57 13.211 13.591 3.715 444 2HD PRO 57 2HD PRO 57 12.702 13.807 2.025 445 H LYS 58 H LYS 58 15.519 14.705 4.599 446 HA LYS 58 HA LYS 58 17.903 16.428 5.172 447 1HB LYS 58 2HB LYS 58 15.725 16.752 6.414 448 2HB LYS 58 1HB LYS 58 15.916 15.122 7.062 449 1HG LYS 58 2HG LYS 58 18.104 15.793 8.039 450 2HG LYS 58 1HG LYS 58 17.840 17.436 7.450 451 1HD LYS 58 2HD LYS 58 15.736 17.540 8.782 452 2HD LYS 58 1HD LYS 58 16.093 15.938 9.429 453 1HE LYS 58 2HE LYS 58 18.215 18.057 9.654 454 2HE LYS 58 1HE LYS 58 16.836 18.116 10.768 455 1HZ LYS 58 3HZ LYS 58 17.221 15.762 11.285 456 2HZ LYS 58 2HZ LYS 58 18.589 15.757 10.274 457 3HZ LYS 58 1HZ LYS 58 18.570 16.712 11.677 458 H1 VAL 1 1H VAL 1 1.016 -5.481 -22.171 459 H2 VAL 1 3H VAL 1 1.603 -4.106 -22.973 460 H3 VAL 1 2H VAL 1 2.677 -5.319 -22.478 461 HA VAL 1 HA VAL 1 2.896 -3.519 -20.934 462 HB VAL 1 HB VAL 1 0.818 -2.779 -19.685 463 1HG1 VAL 1 2HG1 VAL 1 1.820 -1.624 -21.743 464 2HG1 VAL 1 1HG1 VAL 1 0.498 -2.353 -22.657 465 3HG1 VAL 1 3HG1 VAL 1 0.148 -1.228 -21.344 466 1HG2 VAL 1 2HG2 VAL 1 -0.487 -4.898 -20.352 467 2HG2 VAL 1 1HG2 VAL 1 -1.360 -3.368 -20.436 468 3HG2 VAL 1 3HG2 VAL 1 -0.740 -4.112 -21.910 469 H ASP 2 H ASP 2 2.559 -3.726 -18.430 470 HA ASP 2 HA ASP 2 3.066 -6.508 -17.666 471 1HB ASP 2 2HB ASP 2 4.267 -4.554 -16.721 472 2HB ASP 2 1HB ASP 2 2.757 -3.957 -16.039 473 H ASN 3 H ASN 3 1.486 -7.947 -17.104 474 HA ASN 3 HA ASN 3 -1.214 -6.912 -16.322 475 1HB ASN 3 2HB ASN 3 -0.835 -8.425 -18.340 476 2HB ASN 3 1HB ASN 3 -0.383 -9.698 -17.206 477 1HD2 ASN 3 1HD2 ASN 3 -3.117 -7.446 -17.938 478 2HD2 ASN 3 2HD2 ASN 3 -4.319 -8.499 -17.365 479 H LYS 4 H LYS 4 0.046 -6.521 -14.146 480 HA LYS 4 HA LYS 4 -0.257 -8.962 -12.417 481 1HB LYS 4 2HB LYS 4 1.875 -6.803 -12.354 482 2HB LYS 4 1HB LYS 4 1.680 -8.028 -11.108 483 1HG LYS 4 2HG LYS 4 1.970 -9.792 -12.871 484 2HG LYS 4 1HG LYS 4 2.332 -8.510 -14.029 485 1HD LYS 4 2HD LYS 4 4.214 -7.762 -12.606 486 2HD LYS 4 1HD LYS 4 3.865 -9.071 -11.476 487 1HE LYS 4 2HE LYS 4 4.049 -10.499 -13.783 488 2HE LYS 4 1HE LYS 4 5.188 -9.183 -14.133 489 1HZ LYS 4 2HZ LYS 4 5.159 -10.823 -11.642 490 2HZ LYS 4 1HZ LYS 4 6.274 -10.987 -12.913 491 3HZ LYS 4 3HZ LYS 4 6.249 -9.565 -11.989 492 H PHE 5 H PHE 5 -0.807 -8.437 -10.147 493 HA PHE 5 HA PHE 5 -2.630 -6.136 -9.949 494 1HB PHE 5 2HB PHE 5 -1.940 -8.496 -8.203 495 2HB PHE 5 1HB PHE 5 -3.098 -7.277 -7.744 496 HD1 PHE 5 HD1 PHE 5 -5.222 -6.993 -8.947 497 HD2 PHE 5 HD2 PHE 5 -2.445 -10.094 -10.002 498 HE1 PHE 5 HE1 PHE 5 -6.980 -8.109 -10.276 499 HE2 PHE 5 HE2 PHE 5 -4.210 -11.213 -11.336 500 HZ PHE 5 HZ PHE 5 -6.478 -10.221 -11.473 501 H ASN 6 H ASN 6 0.602 -6.075 -9.647 502 HA ASN 6 HA ASN 6 0.711 -4.796 -6.978 503 1HB ASN 6 2HB ASN 6 3.253 -4.794 -7.580 504 2HB ASN 6 1HB ASN 6 2.467 -6.294 -7.128 505 1HD2 ASN 6 1HD2 ASN 6 3.597 -7.831 -8.372 506 2HD2 ASN 6 2HD2 ASN 6 3.773 -7.748 -10.054 507 H LYS 7 H LYS 7 1.202 -3.926 -10.362 508 HA LYS 7 HA LYS 7 2.229 -1.274 -9.851 509 1HB LYS 7 2HB LYS 7 0.806 -2.566 -12.188 510 2HB LYS 7 1HB LYS 7 1.454 -0.924 -12.259 511 1HG LYS 7 2HG LYS 7 3.698 -1.883 -11.565 512 2HG LYS 7 1HG LYS 7 3.005 -3.487 -11.797 513 1HD LYS 7 2HD LYS 7 2.510 -2.950 -14.145 514 2HD LYS 7 1HD LYS 7 3.168 -1.330 -13.926 515 1HE LYS 7 2HE LYS 7 4.855 -3.760 -13.294 516 2HE LYS 7 1HE LYS 7 4.739 -3.141 -14.950 517 1HZ LYS 7 3HZ LYS 7 5.308 -0.915 -14.076 518 2HZ LYS 7 2HZ LYS 7 5.557 -1.598 -12.537 519 3HZ LYS 7 1HZ LYS 7 6.552 -2.043 -13.839 520 H GLU 8 H GLU 8 -0.962 -2.610 -10.166 521 HA GLU 8 HA GLU 8 -2.386 -0.111 -10.128 522 1HB GLU 8 2HB GLU 8 -4.329 -1.582 -9.784 523 2HB GLU 8 1HB GLU 8 -3.256 -2.236 -11.024 524 1HG GLU 8 2HG GLU 8 -2.249 -3.743 -9.340 525 2HG GLU 8 1HG GLU 8 -3.374 -3.123 -8.126 526 H LEU 9 H LEU 9 -1.070 -2.155 -7.555 527 HA LEU 9 HA LEU 9 -2.624 -0.925 -5.435 528 1HB LEU 9 2HB LEU 9 0.126 -2.118 -5.098 529 2HB LEU 9 1HB LEU 9 -1.109 -1.913 -3.911 530 HG LEU 9 HG LEU 9 -1.622 -3.693 -6.271 531 1HD1 LEU 9 3HD1 LEU 9 0.321 -4.064 -4.135 532 2HD1 LEU 9 2HD1 LEU 9 -0.985 -5.243 -3.969 533 3HD1 LEU 9 1HD1 LEU 9 -0.056 -5.165 -5.467 534 1HD2 LEU 9 2HD2 LEU 9 -2.701 -3.522 -3.426 535 2HD2 LEU 9 1HD2 LEU 9 -3.548 -2.972 -4.874 536 3HD2 LEU 9 3HD2 LEU 9 -3.222 -4.695 -4.633 537 H SER 10 H SER 10 0.328 -0.051 -7.155 538 HA SER 10 HA SER 10 1.387 1.849 -5.275 539 1HB SER 10 2HB SER 10 2.665 1.084 -7.138 540 2HB SER 10 1HB SER 10 1.449 1.611 -8.283 541 HG SER 10 HG SER 10 2.191 3.593 -8.135 542 H VAL 11 H VAL 11 -0.952 2.133 -7.970 543 HA VAL 11 HA VAL 11 -1.549 4.973 -7.455 544 HB VAL 11 HB VAL 11 -2.974 2.922 -9.196 545 1HG1 VAL 11 3HG1 VAL 11 -2.919 5.930 -9.064 546 2HG1 VAL 11 2HG1 VAL 11 -3.306 5.108 -10.575 547 3HG1 VAL 11 1HG1 VAL 11 -4.309 4.850 -9.150 548 1HG2 VAL 11 1HG2 VAL 11 -0.604 4.701 -9.879 549 2HG2 VAL 11 3HG2 VAL 11 -0.560 2.941 -9.724 550 3HG2 VAL 11 2HG2 VAL 11 -1.488 3.694 -11.025 551 H ALA 12 H ALA 12 -3.454 1.922 -7.271 552 HA ALA 12 HA ALA 12 -5.784 3.003 -6.020 553 1HB ALA 12 1HB ALA 12 -5.489 0.788 -7.223 554 2HB ALA 12 2HB ALA 12 -6.380 0.688 -5.706 555 3HB ALA 12 3HB ALA 12 -4.686 0.189 -5.766 556 H GLY 13 H GLY 13 -3.062 1.282 -4.600 557 1HA GLY 13 1HA GLY 13 -2.289 1.083 -2.433 558 2HA GLY 13 2HA GLY 13 -3.937 1.402 -1.897 559 H ARG 14 H ARG 14 -1.419 3.374 -3.547 560 HA ARG 14 HA ARG 14 -0.869 4.989 -1.281 561 1HB ARG 14 2HB ARG 14 0.447 4.756 -3.427 562 2HB ARG 14 1HB ARG 14 -0.690 5.888 -4.163 563 1HG ARG 14 2HG ARG 14 1.230 7.136 -3.357 564 2HG ARG 14 1HG ARG 14 -0.159 7.522 -2.344 565 1HD ARG 14 2HD ARG 14 0.847 6.704 -0.497 566 2HD ARG 14 1HD ARG 14 1.312 5.209 -1.331 567 HE ARG 14 HE ARG 14 3.386 6.215 -1.906 568 1HH1 ARG 14 1HH1 ARG 14 3.493 7.493 0.699 569 2HH1 ARG 14 2HH1 ARG 14 3.657 9.178 0.329 570 1HH2 ARG 14 1HH2 ARG 14 2.612 8.826 -2.977 571 2HH2 ARG 14 2HH2 ARG 14 3.152 9.938 -1.766 572 H GLU 15 H GLU 15 -3.383 5.483 -3.810 573 HA GLU 15 HA GLU 15 -4.157 8.132 -2.900 574 1HB GLU 15 2HB GLU 15 -5.496 5.933 -4.490 575 2HB GLU 15 1HB GLU 15 -6.307 7.464 -4.153 576 1HG GLU 15 2HG GLU 15 -4.381 8.670 -5.190 577 2HG GLU 15 1HG GLU 15 -3.662 7.113 -5.601 578 H ILE 16 H ILE 16 -5.307 4.830 -2.146 579 HA ILE 16 HA ILE 16 -7.355 5.488 -0.232 580 HB ILE 16 HB ILE 16 -5.559 3.060 -0.677 581 1HG1 ILE 16 2HG1 ILE 16 -8.500 3.340 -1.307 582 2HG1 ILE 16 1HG1 ILE 16 -7.267 3.839 -2.454 583 1HG2 ILE 16 1HG2 ILE 16 -7.820 3.492 1.264 584 2HG2 ILE 16 3HG2 ILE 16 -7.554 1.890 0.565 585 3HG2 ILE 16 2HG2 ILE 16 -6.280 2.664 1.515 586 1HD1 ILE 16 1HD1 ILE 16 -6.324 1.396 -1.918 587 2HD1 ILE 16 3HD1 ILE 16 -8.022 1.102 -1.533 588 3HD1 ILE 16 2HD1 ILE 16 -7.566 1.663 -3.144 589 H VAL 17 H VAL 17 -3.857 5.169 -0.062 590 HA VAL 17 HA VAL 17 -3.431 5.040 2.774 591 HB VAL 17 HB VAL 17 -1.835 5.708 0.315 592 1HG1 VAL 17 1HG1 VAL 17 -1.107 6.578 3.024 593 2HG1 VAL 17 3HG1 VAL 17 0.131 5.637 2.193 594 3HG1 VAL 17 2HG1 VAL 17 -0.492 7.112 1.457 595 1HG2 VAL 17 1HG2 VAL 17 -2.201 3.455 2.100 596 2HG2 VAL 17 3HG2 VAL 17 -1.503 3.522 0.469 597 3HG2 VAL 17 2HG2 VAL 17 -0.495 3.860 1.870 598 H THR 18 H THR 18 -3.720 7.823 0.506 599 HA THR 18 HA THR 18 -3.959 9.578 2.900 600 HB THR 18 HB THR 18 -1.591 9.398 2.184 601 HG1 THR 18 HG1 THR 18 -2.696 11.956 1.641 602 1HG2 THR 18 2HG2 THR 18 -2.683 10.466 -0.428 603 2HG2 THR 18 1HG2 THR 18 -0.985 10.622 0.019 604 3HG2 THR 18 3HG2 THR 18 -1.704 9.024 -0.165 605 H LEU 19 H LEU 19 -6.180 8.886 1.067 606 HA LEU 19 HA LEU 19 -6.472 11.064 -0.822 607 1HB LEU 19 2HB LEU 19 -8.871 10.382 -0.926 608 2HB LEU 19 1HB LEU 19 -7.767 9.074 -1.190 609 HG LEU 19 HG LEU 19 -9.852 8.616 0.155 610 1HD1 LEU 19 2HD1 LEU 19 -7.473 7.352 0.236 611 2HD1 LEU 19 1HD1 LEU 19 -7.589 7.863 1.925 612 3HD1 LEU 19 3HD1 LEU 19 -8.859 6.871 1.216 613 1HD2 LEU 19 2HD2 LEU 19 -9.557 10.782 1.417 614 2HD2 LEU 19 1HD2 LEU 19 -10.034 9.376 2.356 615 3HD2 LEU 19 3HD2 LEU 19 -8.362 9.936 2.396 616 HA PRO 20 HA PRO 20 -7.305 14.642 1.359 617 1HB PRO 20 2HB PRO 20 -9.847 15.531 0.771 618 2HB PRO 20 1HB PRO 20 -8.432 15.681 -0.293 619 1HG PRO 20 2HG PRO 20 -10.557 13.580 -0.271 620 2HG PRO 20 1HG PRO 20 -9.889 14.481 -1.644 621 1HD PRO 20 1HD PRO 20 -9.056 12.020 -1.178 622 2HD PRO 20 2HD PRO 20 -7.875 13.272 -1.620 623 H ASN 21 H ASN 21 -9.937 12.329 2.218 624 HA ASN 21 HA ASN 21 -9.935 13.691 4.915 625 1HB ASN 21 2HB ASN 21 -12.302 12.793 3.279 626 2HB ASN 21 1HB ASN 21 -12.416 13.343 4.939 627 1HD2 ASN 21 1HD2 ASN 21 -13.322 14.486 2.170 628 2HD2 ASN 21 2HD2 ASN 21 -12.830 16.110 2.254 629 H LEU 22 H LEU 22 -8.739 10.919 4.115 630 HA LEU 22 HA LEU 22 -10.567 9.121 5.660 631 1HB LEU 22 2HB LEU 22 -9.033 8.633 3.484 632 2HB LEU 22 1HB LEU 22 -7.933 8.152 4.750 633 HG LEU 22 HG LEU 22 -10.140 6.929 5.651 634 1HD1 LEU 22 1HD1 LEU 22 -10.435 7.103 2.639 635 2HD1 LEU 22 3HD1 LEU 22 -11.281 5.921 3.639 636 3HD1 LEU 22 2HD1 LEU 22 -11.598 7.643 3.850 637 1HD2 LEU 22 1HD2 LEU 22 -8.049 6.085 3.657 638 2HD2 LEU 22 3HD2 LEU 22 -8.205 5.651 5.364 639 3HD2 LEU 22 2HD2 LEU 22 -9.296 4.942 4.172 640 H ASN 23 H ASN 23 -9.803 7.887 7.435 641 HA ASN 23 HA ASN 23 -7.681 9.264 9.049 642 1HB ASN 23 2HB ASN 23 -8.717 8.109 10.980 643 2HB ASN 23 1HB ASN 23 -9.885 9.085 10.104 644 1HD2 ASN 23 1HD2 ASN 23 -11.709 7.788 10.845 645 2HD2 ASN 23 2HD2 ASN 23 -11.962 6.207 10.286 646 H ASP 24 H ASP 24 -6.097 7.873 10.207 647 HA ASP 24 HA ASP 24 -4.758 6.105 8.503 648 1HB ASP 24 2HB ASP 24 -3.286 5.663 10.395 649 2HB ASP 24 1HB ASP 24 -3.717 7.363 10.312 650 HA PRO 25 HA PRO 25 -6.403 2.260 10.883 651 1HB PRO 25 2HB PRO 25 -8.988 2.348 11.795 652 2HB PRO 25 1HB PRO 25 -7.583 2.752 12.801 653 1HG PRO 25 2HG PRO 25 -9.486 4.558 11.399 654 2HG PRO 25 1HG PRO 25 -8.753 4.716 13.003 655 1HD PRO 25 1HD PRO 25 -7.883 6.084 10.832 656 2HD PRO 25 2HD PRO 25 -6.832 5.623 12.177 657 H GLN 26 H GLN 26 -8.908 4.200 9.110 658 HA GLN 26 HA GLN 26 -10.171 1.912 7.879 659 1HB GLN 26 2HB GLN 26 -10.065 4.869 7.222 660 2HB GLN 26 1HB GLN 26 -11.030 3.724 6.283 661 1HG GLN 26 2HG GLN 26 -12.141 3.000 8.422 662 2HG GLN 26 1HG GLN 26 -11.282 4.289 9.255 663 1HE2 GLN 26 1HE2 GLN 26 -11.529 6.434 7.418 664 2HE2 GLN 26 2HE2 GLN 26 -13.171 6.792 7.202 665 H LYS 27 H LYS 27 -7.706 4.214 6.590 666 HA LYS 27 HA LYS 27 -7.302 2.921 4.075 667 1HB LYS 27 2HB LYS 27 -4.933 3.905 4.301 668 2HB LYS 27 1HB LYS 27 -6.294 5.032 4.274 669 1HG LYS 27 2HG LYS 27 -6.151 4.971 6.848 670 2HG LYS 27 1HG LYS 27 -4.604 4.170 6.626 671 1HD LYS 27 2HD LYS 27 -4.104 6.495 6.809 672 2HD LYS 27 1HD LYS 27 -3.975 6.105 5.102 673 1HE LYS 27 2HE LYS 27 -5.770 7.395 4.521 674 2HE LYS 27 1HE LYS 27 -6.671 6.976 5.987 675 1HZ LYS 27 2HZ LYS 27 -5.151 8.365 7.275 676 2HZ LYS 27 1HZ LYS 27 -4.316 8.791 5.854 677 3HZ LYS 27 3HZ LYS 27 -5.926 9.276 6.069 678 H LYS 28 H LYS 28 -5.909 2.264 7.261 679 HA LYS 28 HA LYS 28 -3.878 0.407 6.537 680 1HB LYS 28 2HB LYS 28 -5.394 1.254 8.901 681 2HB LYS 28 1HB LYS 28 -5.095 -0.481 8.955 682 1HG LYS 28 2HG LYS 28 -2.838 1.281 8.176 683 2HG LYS 28 1HG LYS 28 -3.310 1.279 9.866 684 1HD LYS 28 2HD LYS 28 -2.702 -0.914 10.179 685 2HD LYS 28 1HD LYS 28 -3.059 -1.360 8.510 686 1HE LYS 28 2HE LYS 28 -0.987 -0.653 7.718 687 2HE LYS 28 1HE LYS 28 -0.774 0.523 9.029 688 1HZ LYS 28 3HZ LYS 28 -0.884 -2.407 9.522 689 2HZ LYS 28 2HZ LYS 28 0.572 -1.582 9.235 690 3HZ LYS 28 1HZ LYS 28 -0.375 -1.187 10.588 691 H ALA 29 H ALA 29 -7.217 -0.416 7.708 692 HA ALA 29 HA ALA 29 -7.151 -3.180 6.919 693 1HB ALA 29 3HB ALA 29 -9.622 -2.983 7.183 694 2HB ALA 29 1HB ALA 29 -9.465 -1.226 7.207 695 3HB ALA 29 2HB ALA 29 -8.763 -2.192 8.506 696 H PHE 30 H PHE 30 -8.000 -0.227 5.162 697 HA PHE 30 HA PHE 30 -9.235 -1.334 2.826 698 1HB PHE 30 2HB PHE 30 -8.233 1.178 3.848 699 2HB PHE 30 1HB PHE 30 -7.685 0.981 2.196 700 HD1 PHE 30 HD1 PHE 30 -10.556 1.490 4.379 701 HD2 PHE 30 HD2 PHE 30 -9.261 0.677 0.373 702 HE1 PHE 30 HE1 PHE 30 -12.794 2.128 3.542 703 HE2 PHE 30 HE2 PHE 30 -11.508 1.312 -0.466 704 HZ PHE 30 HZ PHE 30 -13.267 2.045 1.118 705 H ILE 31 H ILE 31 -5.864 -0.279 3.340 706 HA ILE 31 HA ILE 31 -4.871 -1.172 0.811 707 HB ILE 31 HB ILE 31 -3.756 -0.469 3.517 708 1HG1 ILE 31 2HG1 ILE 31 -4.082 0.788 0.853 709 2HG1 ILE 31 1HG1 ILE 31 -4.053 1.533 2.460 710 1HG2 ILE 31 2HG2 ILE 31 -2.394 -2.388 2.263 711 2HG2 ILE 31 1HG2 ILE 31 -1.828 -1.031 1.275 712 3HG2 ILE 31 3HG2 ILE 31 -1.557 -1.042 3.017 713 1HD1 ILE 31 1HD1 ILE 31 -1.541 0.423 1.286 714 2HD1 ILE 31 3HD1 ILE 31 -2.142 1.984 0.772 715 3HD1 ILE 31 2HD1 ILE 31 -1.761 1.707 2.482 716 H PHE 32 H PHE 32 -5.043 -2.682 4.047 717 HA PHE 32 HA PHE 32 -3.603 -5.066 3.426 718 1HB PHE 32 2HB PHE 32 -5.594 -4.200 5.518 719 2HB PHE 32 1HB PHE 32 -5.069 -5.877 5.467 720 HD1 PHE 32 HD1 PHE 32 -3.382 -6.343 7.095 721 HD2 PHE 32 HD2 PHE 32 -3.224 -2.500 4.969 722 HE1 PHE 32 HE1 PHE 32 -1.288 -5.728 8.203 723 HE2 PHE 32 HE2 PHE 32 -1.172 -1.990 6.147 724 HZ PHE 32 HZ PHE 32 -0.187 -3.612 7.709 725 H SER 33 H SER 33 -7.059 -4.152 2.876 726 HA SER 33 HA SER 33 -7.729 -6.876 1.911 727 1HB SER 33 2HB SER 33 -9.904 -5.867 1.421 728 2HB SER 33 1HB SER 33 -9.379 -5.346 3.015 729 HG SER 33 HG SER 33 -9.323 -3.374 2.317 730 H LEU 34 H LEU 34 -6.661 -3.757 0.571 731 HA LEU 34 HA LEU 34 -7.041 -4.265 -2.251 732 1HB LEU 34 2HB LEU 34 -6.632 -2.041 -1.401 733 2HB LEU 34 1HB LEU 34 -5.161 -2.534 -0.597 734 HG LEU 34 HG LEU 34 -4.317 -3.057 -2.971 735 1HD1 LEU 34 3HD1 LEU 34 -6.694 -2.779 -3.929 736 2HD1 LEU 34 2HD1 LEU 34 -6.421 -1.041 -3.762 737 3HD1 LEU 34 1HD1 LEU 34 -5.378 -2.006 -4.812 738 1HD2 LEU 34 1HD2 LEU 34 -3.767 -1.039 -1.429 739 2HD2 LEU 34 3HD2 LEU 34 -3.416 -0.875 -3.153 740 3HD2 LEU 34 2HD2 LEU 34 -4.867 -0.138 -2.477 741 H TRP 35 H TRP 35 -4.389 -4.945 0.027 742 HA TRP 35 HA TRP 35 -2.508 -6.015 -1.881 743 1HB TRP 35 2HB TRP 35 -2.013 -5.179 0.416 744 2HB TRP 35 1HB TRP 35 -2.824 -6.604 1.078 745 HD1 TRP 35 HD1 TRP 35 -1.476 -8.759 1.203 746 HE1 TRP 35 HE1 TRP 35 0.801 -9.528 0.323 747 HE3 TRP 35 HE3 TRP 35 -0.291 -4.799 -1.746 748 HZ2 TRP 35 HZ2 TRP 35 2.879 -8.574 -1.392 749 HZ3 TRP 35 HZ3 TRP 35 1.826 -4.772 -2.999 750 HH2 TRP 35 HH2 TRP 35 3.398 -6.629 -2.823 751 H ASP 36 H ASP 36 -4.837 -7.585 0.368 752 HA ASP 36 HA ASP 36 -4.217 -10.296 -0.387 753 1HB ASP 36 2HB ASP 36 -5.311 -9.318 1.748 754 2HB ASP 36 1HB ASP 36 -6.806 -9.291 0.817 755 H ASP 37 H ASP 37 -6.816 -8.015 -1.347 756 HA ASP 37 HA ASP 37 -7.357 -9.795 -3.664 757 1HB ASP 37 2HB ASP 37 -9.511 -8.267 -2.177 758 2HB ASP 37 1HB ASP 37 -9.718 -9.571 -3.336 759 HA PRO 38 HA PRO 38 -6.507 -5.398 -5.006 760 1HB PRO 38 2HB PRO 38 -4.880 -6.079 -7.081 761 2HB PRO 38 1HB PRO 38 -4.304 -5.784 -5.434 762 1HG PRO 38 2HG PRO 38 -4.910 -8.390 -6.774 763 2HG PRO 38 1HG PRO 38 -3.515 -7.944 -5.779 764 1HD PRO 38 1HD PRO 38 -5.534 -9.367 -4.762 765 2HD PRO 38 2HD PRO 38 -4.694 -8.124 -3.800 766 H SER 39 H SER 39 -8.031 -8.212 -6.280 767 HA SER 39 HA SER 39 -8.686 -7.422 -8.965 768 1HB SER 39 2HB SER 39 -9.245 -9.524 -7.272 769 2HB SER 39 1HB SER 39 -10.797 -8.709 -7.326 770 HG SER 39 HG SER 39 -10.975 -9.145 -9.413 771 H GLN 40 H GLN 40 -9.924 -6.539 -5.770 772 HA GLN 40 HA GLN 40 -12.036 -4.732 -6.834 773 1HB GLN 40 2HB GLN 40 -11.168 -4.979 -3.951 774 2HB GLN 40 1HB GLN 40 -12.769 -4.622 -4.579 775 1HG GLN 40 2HG GLN 40 -11.352 -7.297 -4.540 776 2HG GLN 40 1HG GLN 40 -12.790 -6.841 -3.642 777 1HE2 GLN 40 1HE2 GLN 40 -12.226 -8.951 -5.864 778 2HE2 GLN 40 2HE2 GLN 40 -13.485 -8.698 -6.976 779 H SER 41 H SER 41 -8.815 -4.303 -6.899 780 HA SER 41 HA SER 41 -8.107 -2.188 -5.179 781 1HB SER 41 2HB SER 41 -6.354 -1.739 -6.798 782 2HB SER 41 1HB SER 41 -6.563 -3.466 -6.552 783 HG SER 41 HG SER 41 -6.901 -3.578 -8.625 784 H ALA 42 H ALA 42 -9.668 -2.010 -8.401 785 HA ALA 42 HA ALA 42 -9.678 0.860 -8.699 786 1HB ALA 42 3HB ALA 42 -11.729 -1.194 -9.617 787 2HB ALA 42 2HB ALA 42 -11.396 0.368 -10.374 788 3HB ALA 42 1HB ALA 42 -10.189 -0.916 -10.439 789 H ASN 43 H ASN 43 -12.049 -1.456 -7.409 790 HA ASN 43 HA ASN 43 -14.013 0.416 -6.523 791 1HB ASN 43 2HB ASN 43 -13.280 -2.448 -5.963 792 2HB ASN 43 1HB ASN 43 -14.620 -1.689 -5.101 793 1HD2 ASN 43 1HD2 ASN 43 -13.752 -3.291 -8.018 794 2HD2 ASN 43 2HD2 ASN 43 -15.164 -2.944 -8.894 795 H LEU 44 H LEU 44 -11.071 -0.927 -4.977 796 HA LEU 44 HA LEU 44 -11.652 -0.058 -2.278 797 1HB LEU 44 2HB LEU 44 -9.369 -1.084 -3.884 798 2HB LEU 44 1HB LEU 44 -8.956 -0.231 -2.400 799 HG LEU 44 HG LEU 44 -11.146 -2.244 -2.256 800 1HD1 LEU 44 1HD1 LEU 44 -8.584 -2.891 -3.336 801 2HD1 LEU 44 3HD1 LEU 44 -8.658 -3.542 -1.693 802 3HD1 LEU 44 2HD1 LEU 44 -9.885 -4.000 -2.877 803 1HD2 LEU 44 2HD2 LEU 44 -8.905 -1.200 -0.498 804 2HD2 LEU 44 1HD2 LEU 44 -10.654 -1.016 -0.278 805 3HD2 LEU 44 3HD2 LEU 44 -9.893 -2.593 -0.040 806 H LEU 45 H LEU 45 -9.641 1.268 -4.829 807 HA LEU 45 HA LEU 45 -8.761 3.660 -3.602 808 1HB LEU 45 2HB LEU 45 -7.806 2.860 -5.672 809 2HB LEU 45 1HB LEU 45 -9.376 2.871 -6.468 810 HG LEU 45 HG LEU 45 -9.445 5.254 -6.525 811 1HD1 LEU 45 2HD1 LEU 45 -7.277 5.021 -4.462 812 2HD1 LEU 45 1HD1 LEU 45 -7.360 6.468 -5.472 813 3HD1 LEU 45 3HD1 LEU 45 -8.729 6.022 -4.456 814 1HD2 LEU 45 1HD2 LEU 45 -7.839 4.058 -8.104 815 2HD2 LEU 45 3HD2 LEU 45 -7.536 5.778 -7.865 816 3HD2 LEU 45 2HD2 LEU 45 -6.539 4.584 -7.035 817 H ALA 46 H ALA 46 -11.636 3.037 -5.629 818 HA ALA 46 HA ALA 46 -12.775 5.665 -5.470 819 1HB ALA 46 3HB ALA 46 -14.863 4.312 -6.076 820 2HB ALA 46 2HB ALA 46 -13.471 4.061 -7.130 821 3HB ALA 46 1HB ALA 46 -13.863 2.871 -5.889 822 H GLU 47 H GLU 47 -13.342 2.685 -3.548 823 HA GLU 47 HA GLU 47 -15.296 3.668 -1.743 824 1HB GLU 47 2HB GLU 47 -14.348 1.277 -2.207 825 2HB GLU 47 1HB GLU 47 -13.129 1.688 -0.998 826 1HG GLU 47 2HG GLU 47 -14.944 0.567 0.146 827 2HG GLU 47 1HG GLU 47 -15.044 2.275 0.568 828 H ALA 48 H ALA 48 -11.769 3.943 -1.744 829 HA ALA 48 HA ALA 48 -11.389 4.878 0.959 830 1HB ALA 48 2HB ALA 48 -9.320 4.446 0.141 831 2HB ALA 48 3HB ALA 48 -9.397 5.995 -0.701 832 3HB ALA 48 1HB ALA 48 -9.900 4.505 -1.528 833 H LYS 49 H LYS 49 -11.531 6.703 -2.147 834 HA LYS 49 HA LYS 49 -11.618 9.316 -0.994 835 1HB LYS 49 2HB LYS 49 -12.370 8.048 -3.610 836 2HB LYS 49 1HB LYS 49 -12.757 9.745 -3.331 837 1HG LYS 49 2HG LYS 49 -10.636 10.223 -3.962 838 2HG LYS 49 1HG LYS 49 -10.137 9.524 -2.423 839 1HD LYS 49 2HD LYS 49 -8.866 8.456 -4.176 840 2HD LYS 49 1HD LYS 49 -10.010 7.291 -3.532 841 1HE LYS 49 2HE LYS 49 -10.637 6.943 -5.698 842 2HE LYS 49 1HE LYS 49 -11.441 8.523 -5.599 843 1HZ LYS 49 2HZ LYS 49 -9.357 9.587 -6.236 844 2HZ LYS 49 1HZ LYS 49 -8.590 8.074 -6.348 845 3HZ LYS 49 3HZ LYS 49 -9.840 8.473 -7.423 846 H LYS 50 H LYS 50 -14.240 7.119 -2.046 847 HA LYS 50 HA LYS 50 -16.493 8.793 -1.452 848 1HB LYS 50 2HB LYS 50 -16.058 5.789 -1.411 849 2HB LYS 50 1HB LYS 50 -17.648 6.525 -1.227 850 1HG LYS 50 2HG LYS 50 -17.445 7.602 -3.413 851 2HG LYS 50 1HG LYS 50 -15.810 6.970 -3.601 852 1HD LYS 50 2HD LYS 50 -16.764 4.647 -3.383 853 2HD LYS 50 1HD LYS 50 -18.376 5.364 -3.431 854 1HE LYS 50 2HE LYS 50 -18.095 6.121 -5.671 855 2HE LYS 50 1HE LYS 50 -16.336 5.899 -5.608 856 1HZ LYS 50 3HZ LYS 50 -16.706 3.507 -5.275 857 2HZ LYS 50 2HZ LYS 50 -18.383 3.741 -5.429 858 3HZ LYS 50 1HZ LYS 50 -17.355 4.036 -6.749 859 H LEU 51 H LEU 51 -14.640 6.528 0.618 860 HA LEU 51 HA LEU 51 -16.265 6.801 2.984 861 1HB LEU 51 2HB LEU 51 -14.716 4.944 2.594 862 2HB LEU 51 1HB LEU 51 -13.349 6.053 2.557 863 HG LEU 51 HG LEU 51 -13.639 6.597 4.899 864 1HD1 LEU 51 3HD1 LEU 51 -16.128 4.853 4.766 865 2HD1 LEU 51 2HD1 LEU 51 -15.451 5.539 6.244 866 3HD1 LEU 51 1HD1 LEU 51 -16.097 6.606 4.994 867 1HD2 LEU 51 3HD2 LEU 51 -13.393 3.821 3.968 868 2HD2 LEU 51 2HD2 LEU 51 -12.386 4.717 5.102 869 3HD2 LEU 51 1HD2 LEU 51 -13.870 3.947 5.659 870 H ASN 52 H ASN 52 -13.354 8.549 1.809 871 HA ASN 52 HA ASN 52 -12.934 10.226 4.090 872 1HB ASN 52 2HB ASN 52 -11.286 11.026 2.744 873 2HB ASN 52 1HB ASN 52 -11.755 9.757 1.648 874 1HD2 ASN 52 1HD2 ASN 52 -11.184 10.904 -0.294 875 2HD2 ASN 52 2HD2 ASN 52 -12.021 12.278 -0.821 876 H ASP 53 H ASP 53 -15.113 10.492 1.291 877 HA ASP 53 HA ASP 53 -16.060 13.139 1.718 878 1HB ASP 53 2HB ASP 53 -16.304 11.536 -0.285 879 2HB ASP 53 1HB ASP 53 -17.660 10.829 0.594 880 H ALA 54 H ALA 54 -17.022 10.014 3.143 881 HA ALA 54 HA ALA 54 -19.523 10.857 4.319 882 1HB ALA 54 2HB ALA 54 -18.348 8.525 3.877 883 2HB ALA 54 3HB ALA 54 -19.465 8.707 5.232 884 3HB ALA 54 1HB ALA 54 -17.723 8.766 5.509 885 H GLN 55 H GLN 55 -16.150 10.923 5.449 886 HA GLN 55 HA GLN 55 -16.814 11.898 8.142 887 1HB GLN 55 2HB GLN 55 -14.309 11.409 6.512 888 2HB GLN 55 1HB GLN 55 -14.237 12.036 8.147 889 1HG GLN 55 2HG GLN 55 -15.330 10.067 9.034 890 2HG GLN 55 1HG GLN 55 -15.649 9.463 7.406 891 1HE2 GLN 55 1HE2 GLN 55 -13.321 9.676 6.063 892 2HE2 GLN 55 2HE2 GLN 55 -12.054 8.849 6.850 893 H ALA 56 H ALA 56 -15.619 13.234 5.058 894 HA ALA 56 HA ALA 56 -16.258 16.000 5.937 895 1HB ALA 56 3HB ALA 56 -14.067 16.000 6.679 896 2HB ALA 56 1HB ALA 56 -13.784 16.407 4.986 897 3HB ALA 56 2HB ALA 56 -13.591 14.741 5.535 898 HA PRO 57 HA PRO 57 -17.196 16.301 1.583 899 1HB PRO 57 2HB PRO 57 -16.907 18.991 1.169 900 2HB PRO 57 1HB PRO 57 -18.293 18.289 2.030 901 1HG PRO 57 2HG PRO 57 -15.838 19.570 3.120 902 2HG PRO 57 1HG PRO 57 -17.519 19.723 3.656 903 1HD PRO 57 1HD PRO 57 -15.703 18.154 4.922 904 2HD PRO 57 2HD PRO 57 -17.441 17.778 4.883 905 H LYS 58 H LYS 58 -16.008 16.204 -0.347 906 HA LYS 58 HA LYS 58 -13.105 16.196 -0.218 907 1HB LYS 58 2HB LYS 58 -15.121 15.984 -2.476 908 2HB LYS 58 1HB LYS 58 -13.385 15.801 -2.722 909 1HG LYS 58 2HG LYS 58 -13.371 13.953 -1.052 910 2HG LYS 58 1HG LYS 58 -15.120 14.103 -0.904 911 1HD LYS 58 2HD LYS 58 -15.278 13.714 -3.398 912 2HD LYS 58 1HD LYS 58 -13.555 13.342 -3.383 913 1HE LYS 58 2HE LYS 58 -14.090 11.206 -2.837 914 2HE LYS 58 1HE LYS 58 -14.696 11.810 -1.284 915 1HZ LYS 58 3HZ LYS 58 -16.801 12.382 -2.444 916 2HZ LYS 58 2HZ LYS 58 -16.214 11.598 -3.835 917 3HZ LYS 58 1HZ LYS 58 -16.488 10.717 -2.409 No H/Q in entry = 917 Start of MODEL 11 1 H1 VAL 1 3H VAL 1 -6.364 -18.170 11.384 2 H2 VAL 1 2H VAL 1 -5.406 -19.569 11.464 3 H3 VAL 1 1H VAL 1 -6.395 -19.135 12.776 4 HA VAL 1 HA VAL 1 -5.056 -17.250 13.307 5 HB VAL 1 HB VAL 1 -3.478 -19.767 12.630 6 1HG1 VAL 1 3HG1 VAL 1 -2.721 -17.369 14.324 7 2HG1 VAL 1 2HG1 VAL 1 -1.915 -18.932 14.452 8 3HG1 VAL 1 1HG1 VAL 1 -1.845 -18.026 12.941 9 1HG2 VAL 1 1HG2 VAL 1 -4.941 -18.777 15.092 10 2HG2 VAL 1 3HG2 VAL 1 -5.211 -20.275 14.200 11 3HG2 VAL 1 2HG2 VAL 1 -3.748 -20.074 15.164 12 H ASP 2 H ASP 2 -3.834 -15.539 12.532 13 HA ASP 2 HA ASP 2 -3.201 -15.427 9.657 14 1HB ASP 2 2HB ASP 2 -4.213 -13.545 10.956 15 2HB ASP 2 1HB ASP 2 -2.743 -13.446 11.923 16 H ASN 3 H ASN 3 -1.267 -16.170 8.886 17 HA ASN 3 HA ASN 3 0.996 -16.870 10.570 18 1HB ASN 3 2HB ASN 3 0.391 -17.944 8.395 19 2HB ASN 3 1HB ASN 3 0.781 -16.440 7.561 20 1HD2 ASN 3 1HD2 ASN 3 2.295 -18.951 9.670 21 2HD2 ASN 3 2HD2 ASN 3 3.858 -18.736 9.044 22 H LYS 4 H LYS 4 3.165 -15.805 10.470 23 HA LYS 4 HA LYS 4 3.086 -12.986 10.857 24 1HB LYS 4 2HB LYS 4 5.510 -13.142 10.945 25 2HB LYS 4 1HB LYS 4 4.833 -14.578 11.698 26 1HG LYS 4 2HG LYS 4 5.212 -15.833 9.572 27 2HG LYS 4 1HG LYS 4 5.962 -14.393 8.882 28 1HD LYS 4 2HD LYS 4 6.999 -15.329 11.519 29 2HD LYS 4 1HD LYS 4 7.403 -16.300 10.103 30 1HE LYS 4 2HE LYS 4 9.121 -14.809 9.830 31 2HE LYS 4 1HE LYS 4 7.874 -13.731 9.185 32 1HZ LYS 4 1HZ LYS 4 8.565 -13.952 12.071 33 2HZ LYS 4 3HZ LYS 4 9.143 -12.736 11.040 34 3HZ LYS 4 2HZ LYS 4 7.482 -12.847 11.366 35 H PHE 5 H PHE 5 4.057 -14.827 7.915 36 HA PHE 5 HA PHE 5 4.626 -12.492 6.331 37 1HB PHE 5 2HB PHE 5 4.055 -15.392 5.703 38 2HB PHE 5 1HB PHE 5 4.431 -14.220 4.448 39 HD1 PHE 5 HD1 PHE 5 6.340 -12.827 6.859 40 HD2 PHE 5 HD2 PHE 5 6.128 -16.546 4.708 41 HE1 PHE 5 HE1 PHE 5 8.752 -13.187 7.242 42 HE2 PHE 5 HE2 PHE 5 8.546 -16.902 5.104 43 HZ PHE 5 HZ PHE 5 9.857 -15.224 6.371 44 H ASN 6 H ASN 6 1.669 -14.326 7.004 45 HA ASN 6 HA ASN 6 -0.023 -13.641 4.873 46 1HB ASN 6 2HB ASN 6 -0.336 -14.989 7.127 47 2HB ASN 6 1HB ASN 6 -0.987 -13.464 7.718 48 1HD2 ASN 6 1HD2 ASN 6 -2.691 -12.454 6.031 49 2HD2 ASN 6 2HD2 ASN 6 -3.788 -13.569 5.377 50 H LYS 7 H LYS 7 0.461 -11.666 7.872 51 HA LYS 7 HA LYS 7 -0.863 -9.363 6.528 52 1HB LYS 7 2HB LYS 7 -1.461 -10.040 8.820 53 2HB LYS 7 1HB LYS 7 0.200 -9.689 9.340 54 1HG LYS 7 2HG LYS 7 -0.310 -7.340 8.269 55 2HG LYS 7 1HG LYS 7 -1.992 -7.821 8.483 56 1HD LYS 7 2HD LYS 7 0.046 -7.977 10.701 57 2HD LYS 7 1HD LYS 7 -0.938 -6.539 10.411 58 1HE LYS 7 2HE LYS 7 -2.478 -7.537 11.783 59 2HE LYS 7 1HE LYS 7 -2.834 -8.577 10.393 60 1HZ LYS 7 1HZ LYS 7 -0.667 -9.131 12.360 61 2HZ LYS 7 3HZ LYS 7 -2.215 -9.817 12.448 62 3HZ LYS 7 2HZ LYS 7 -1.215 -10.158 11.121 63 H GLU 8 H GLU 8 2.409 -10.428 7.321 64 HA GLU 8 HA GLU 8 3.775 -7.938 7.513 65 1HB GLU 8 2HB GLU 8 4.439 -10.739 6.744 66 2HB GLU 8 1HB GLU 8 5.576 -9.495 6.233 67 1HG GLU 8 2HG GLU 8 5.799 -8.693 8.508 68 2HG GLU 8 1HG GLU 8 4.577 -9.843 9.072 69 H GLN 9 H GLN 9 2.689 -9.794 4.698 70 HA GLN 9 HA GLN 9 3.966 -8.262 2.694 71 1HB GLN 9 2HB GLN 9 1.366 -9.817 2.667 72 2HB GLN 9 1HB GLN 9 2.207 -9.228 1.239 73 1HG GLN 9 2HG GLN 9 4.124 -10.626 1.711 74 2HG GLN 9 1HG GLN 9 3.413 -11.156 3.231 75 1HE2 GLN 9 1HE2 GLN 9 2.145 -13.044 3.112 76 2HE2 GLN 9 2HE2 GLN 9 1.525 -13.692 1.670 77 H GLN 10 H GLN 10 0.768 -7.932 4.281 78 HA GLN 10 HA GLN 10 0.059 -5.501 2.774 79 1HB GLN 10 2HB GLN 10 -1.494 -5.511 5.055 80 2HB GLN 10 1HB GLN 10 -1.986 -5.989 3.465 81 1HG GLN 10 2HG GLN 10 -0.698 -7.945 5.352 82 2HG GLN 10 1HG GLN 10 -2.418 -7.602 5.411 83 1HE2 GLN 10 1HE2 GLN 10 -3.644 -7.942 3.292 84 2HE2 GLN 10 2HE2 GLN 10 -3.086 -9.149 2.238 85 H ASN 11 H ASN 11 1.434 -6.181 5.989 86 HA ASN 11 HA ASN 11 1.341 -3.436 6.868 87 1HB ASN 11 2HB ASN 11 1.867 -5.622 8.189 88 2HB ASN 11 1HB ASN 11 3.510 -5.437 7.572 89 1HD2 ASN 11 1HD2 ASN 11 4.849 -3.810 8.534 90 2HD2 ASN 11 2HD2 ASN 11 4.318 -2.802 9.791 91 H ALA 12 H ALA 12 3.783 -5.392 5.125 92 HA ALA 12 HA ALA 12 5.728 -3.280 4.771 93 1HB ALA 12 1HB ALA 12 5.105 -5.956 3.508 94 2HB ALA 12 2HB ALA 12 6.512 -5.484 4.474 95 3HB ALA 12 3HB ALA 12 6.347 -4.902 2.814 96 H PHE 13 H PHE 13 3.115 -4.619 2.711 97 HA PHE 13 HA PHE 13 3.389 -2.977 0.401 98 1HB PHE 13 2HB PHE 13 1.861 -4.903 0.468 99 2HB PHE 13 1HB PHE 13 0.995 -4.222 1.833 100 HD1 PHE 13 HD1 PHE 13 -1.181 -3.753 1.138 101 HD2 PHE 13 HD2 PHE 13 2.119 -2.661 -1.372 102 HE1 PHE 13 HE1 PHE 13 -2.743 -2.736 -0.469 103 HE2 PHE 13 HE2 PHE 13 0.549 -1.648 -2.977 104 HZ PHE 13 HZ PHE 13 -1.879 -1.691 -2.518 105 H TYR 14 H TYR 14 1.225 -2.560 3.171 106 HA TYR 14 HA TYR 14 0.209 0.010 2.717 107 1HB TYR 14 2HB TYR 14 -0.539 -1.653 4.353 108 2HB TYR 14 1HB TYR 14 0.927 -1.386 5.297 109 HD1 TYR 14 HD1 TYR 14 1.263 0.646 6.550 110 HD2 TYR 14 HD2 TYR 14 -2.267 0.091 4.179 111 HE1 TYR 14 HE1 TYR 14 0.180 2.539 7.710 112 HE2 TYR 14 HE2 TYR 14 -3.331 1.905 5.326 113 HH TYR 14 HH TYR 14 -2.354 3.201 8.185 114 H GLU 15 H GLU 15 3.014 -0.855 4.876 115 HA GLU 15 HA GLU 15 3.751 1.834 5.475 116 1HB GLU 15 2HB GLU 15 5.373 -0.725 5.353 117 2HB GLU 15 1HB GLU 15 5.992 0.788 6.011 118 1HG GLU 15 2HG GLU 15 3.610 -0.792 7.057 119 2HG GLU 15 1HG GLU 15 5.164 -0.594 7.849 120 H ILE 16 H ILE 16 4.799 -0.313 2.762 121 HA ILE 16 HA ILE 16 6.699 1.469 1.544 122 HB ILE 16 HB ILE 16 4.903 -0.788 0.704 123 1HG1 ILE 16 2HG1 ILE 16 7.739 -0.549 -0.135 124 2HG1 ILE 16 1HG1 ILE 16 7.461 -0.585 1.602 125 1HG2 ILE 16 1HG2 ILE 16 6.128 1.148 -1.244 126 2HG2 ILE 16 3HG2 ILE 16 5.886 -0.548 -1.670 127 3HG2 ILE 16 2HG2 ILE 16 4.503 0.459 -1.244 128 1HD1 ILE 16 1HD1 ILE 16 5.900 -2.573 0.083 129 2HD1 ILE 16 3HD1 ILE 16 7.664 -2.806 0.031 130 3HD1 ILE 16 2HD1 ILE 16 6.831 -2.748 1.583 131 H LEU 17 H LEU 17 3.164 1.174 1.094 132 HA LEU 17 HA LEU 17 2.818 3.418 -0.707 133 1HB LEU 17 2HB LEU 17 0.947 2.072 1.274 134 2HB LEU 17 1HB LEU 17 0.434 3.228 0.058 135 HG LEU 17 HG LEU 17 2.012 1.035 -1.076 136 1HD1 LEU 17 3HD1 LEU 17 0.001 0.385 0.863 137 2HD1 LEU 17 2HD1 LEU 17 -0.591 -0.028 -0.755 138 3HD1 LEU 17 1HD1 LEU 17 0.929 -0.698 -0.172 139 1HD2 LEU 17 1HD2 LEU 17 0.291 2.846 -2.043 140 2HD2 LEU 17 3HD2 LEU 17 0.527 1.243 -2.786 141 3HD2 LEU 17 2HD2 LEU 17 -0.846 1.504 -1.684 142 H HIS 18 H HIS 18 2.661 3.158 2.869 143 HA HIS 18 HA HIS 18 1.852 5.971 3.199 144 1HB HIS 18 2HB HIS 18 2.396 3.631 5.037 145 2HB HIS 18 1HB HIS 18 2.029 5.234 5.665 146 HD1 HIS 18 HD1 HIS 18 -0.417 6.050 5.494 147 HD2 HIS 18 HD2 HIS 18 0.159 2.361 3.678 148 HE1 HIS 18 HE1 HIS 18 -2.697 5.092 4.873 149 H LEU 19 H LEU 19 4.937 4.622 2.679 150 HA LEU 19 HA LEU 19 6.475 6.019 4.695 151 1HB LEU 19 2HB LEU 19 6.996 4.651 2.078 152 2HB LEU 19 1HB LEU 19 8.255 5.712 2.705 153 HG LEU 19 HG LEU 19 6.988 3.462 4.299 154 1HD1 LEU 19 1HD1 LEU 19 9.476 3.574 2.602 155 2HD1 LEU 19 3HD1 LEU 19 9.356 2.459 3.966 156 3HD1 LEU 19 2HD1 LEU 19 8.214 2.344 2.624 157 1HD2 LEU 19 1HD2 LEU 19 8.539 5.688 5.092 158 2HD2 LEU 19 3HD2 LEU 19 8.109 4.282 6.061 159 3HD2 LEU 19 2HD2 LEU 19 9.617 4.295 5.148 160 HA PRO 20 HA PRO 20 5.735 10.132 3.150 161 1HB PRO 20 2HB PRO 20 7.677 11.421 4.605 162 2HB PRO 20 1HB PRO 20 6.110 10.907 5.268 163 1HG PRO 20 2HG PRO 20 8.762 9.541 5.424 164 2HG PRO 20 1HG PRO 20 7.553 9.801 6.696 165 1HD PRO 20 1HD PRO 20 7.769 7.442 5.459 166 2HD PRO 20 2HD PRO 20 6.182 8.093 5.931 167 H ASN 21 H ASN 21 8.913 8.553 2.781 168 HA ASN 21 HA ASN 21 9.624 10.659 0.769 169 1HB ASN 21 2HB ASN 21 11.277 8.796 2.482 170 2HB ASN 21 1HB ASN 21 11.971 9.765 1.182 171 1HD2 ASN 21 1HD2 ASN 21 11.271 9.829 4.503 172 2HD2 ASN 21 2HD2 ASN 21 11.311 11.508 4.730 173 H LEU 22 H LEU 22 8.105 7.764 0.677 174 HA LEU 22 HA LEU 22 9.693 6.576 -1.534 175 1HB LEU 22 2HB LEU 22 7.295 5.739 0.105 176 2HB LEU 22 1HB LEU 22 7.638 4.933 -1.416 177 HG LEU 22 HG LEU 22 9.154 4.843 1.167 178 1HD1 LEU 22 2HD1 LEU 22 8.367 2.932 -1.033 179 2HD1 LEU 22 1HD1 LEU 22 9.518 2.471 0.227 180 3HD1 LEU 22 3HD1 LEU 22 7.863 2.915 0.657 181 1HD2 LEU 22 1HD2 LEU 22 10.417 4.621 -1.577 182 2HD2 LEU 22 3HD2 LEU 22 10.906 5.686 -0.245 183 3HD2 LEU 22 2HD2 LEU 22 11.141 3.936 -0.119 184 H ASN 23 H ASN 23 9.022 6.627 -3.646 185 HA ASN 23 HA ASN 23 6.622 8.327 -4.265 186 1HB ASN 23 2HB ASN 23 7.893 8.755 -6.445 187 2HB ASN 23 1HB ASN 23 8.591 9.451 -5.000 188 1HD2 ASN 23 1HD2 ASN 23 10.762 8.858 -4.509 189 2HD2 ASN 23 2HD2 ASN 23 11.616 7.649 -5.339 190 H GLU 24 H GLU 24 6.133 7.778 -6.832 191 HA GLU 24 HA GLU 24 4.786 5.253 -6.797 192 1HB GLU 24 2HB GLU 24 4.275 7.305 -8.189 193 2HB GLU 24 1HB GLU 24 5.637 6.868 -9.222 194 1HG GLU 24 2HG GLU 24 4.575 4.660 -9.656 195 2HG GLU 24 1HG GLU 24 3.198 5.150 -8.673 196 H GLU 25 H GLU 25 7.982 6.160 -8.134 197 HA GLU 25 HA GLU 25 8.477 3.643 -9.483 198 1HB GLU 25 2HB GLU 25 9.646 5.819 -9.890 199 2HB GLU 25 1HB GLU 25 10.419 5.669 -8.315 200 1HG GLU 25 2HG GLU 25 11.343 3.432 -9.098 201 2HG GLU 25 1HG GLU 25 10.762 3.847 -10.711 202 H GLN 26 H GLN 26 9.466 4.867 -6.242 203 HA GLN 26 HA GLN 26 10.823 2.400 -5.458 204 1HB GLN 26 2HB GLN 26 9.781 4.722 -3.805 205 2HB GLN 26 1HB GLN 26 10.963 3.531 -3.274 206 1HG GLN 26 2HG GLN 26 11.356 5.411 -5.627 207 2HG GLN 26 1HG GLN 26 12.012 5.672 -4.019 208 1HE2 GLN 26 1HE2 GLN 26 12.424 3.855 -6.997 209 2HE2 GLN 26 2HE2 GLN 26 13.852 3.063 -6.529 210 H ARG 27 H ARG 27 7.718 3.874 -4.410 211 HA ARG 27 HA ARG 27 6.888 1.773 -2.686 212 1HB ARG 27 2HB ARG 27 5.862 3.962 -2.666 213 2HB ARG 27 1HB ARG 27 5.398 3.829 -4.357 214 1HG ARG 27 2HG ARG 27 3.973 1.810 -3.639 215 2HG ARG 27 1HG ARG 27 4.228 2.368 -1.985 216 1HD ARG 27 2HD ARG 27 2.119 3.286 -2.885 217 2HD ARG 27 1HD ARG 27 3.287 4.596 -2.631 218 HE ARG 27 HE ARG 27 3.011 3.286 -5.320 219 1HH1 ARG 27 1HH1 ARG 27 1.682 4.959 -6.519 220 2HH1 ARG 27 2HH1 ARG 27 2.296 6.573 -6.412 221 1HH2 ARG 27 1HH2 ARG 27 4.463 5.878 -3.782 222 2HH2 ARG 27 2HH2 ARG 27 3.869 7.094 -4.859 223 H ASN 28 H ASN 28 6.021 2.300 -6.184 224 HA ASN 28 HA ASN 28 4.334 -0.020 -6.444 225 1HB ASN 28 2HB ASN 28 4.350 1.912 -7.974 226 2HB ASN 28 1HB ASN 28 5.968 1.486 -8.478 227 1HD2 ASN 28 1HD2 ASN 28 5.760 0.681 -10.586 228 2HD2 ASN 28 2HD2 ASN 28 4.646 -0.511 -11.047 229 H ALA 29 H ALA 29 7.814 0.480 -7.135 230 HA ALA 29 HA ALA 29 8.449 -2.077 -8.239 231 1HB ALA 29 2HB ALA 29 9.859 0.019 -7.983 232 2HB ALA 29 3HB ALA 29 10.685 -1.492 -7.598 233 3HB ALA 29 1HB ALA 29 10.096 -0.457 -6.296 234 H PHE 30 H PHE 30 8.182 -0.933 -4.894 235 HA PHE 30 HA PHE 30 9.023 -3.339 -3.581 236 1HB PHE 30 2HB PHE 30 7.412 -0.889 -2.897 237 2HB PHE 30 1HB PHE 30 7.565 -2.204 -1.733 238 HD1 PHE 30 HD1 PHE 30 8.726 0.709 -1.603 239 HD2 PHE 30 HD2 PHE 30 10.385 -3.082 -2.727 240 HE1 PHE 30 HE1 PHE 30 10.968 1.462 -0.896 241 HE2 PHE 30 HE2 PHE 30 12.598 -2.329 -2.040 242 HZ PHE 30 HZ PHE 30 12.900 -0.102 -1.116 243 H ILE 31 H ILE 31 5.852 -2.069 -4.492 244 HA ILE 31 HA ILE 31 4.326 -4.292 -3.487 245 HB ILE 31 HB ILE 31 3.840 -2.198 -5.632 246 1HG1 ILE 31 2HG1 ILE 31 2.689 -2.375 -2.874 247 2HG1 ILE 31 1HG1 ILE 31 4.272 -1.661 -3.112 248 1HG2 ILE 31 1HG2 ILE 31 2.301 -4.528 -4.855 249 2HG2 ILE 31 3HG2 ILE 31 1.440 -3.021 -4.566 250 3HG2 ILE 31 2HG2 ILE 31 2.039 -3.397 -6.175 251 1HD1 ILE 31 1HD1 ILE 31 1.745 -0.793 -4.526 252 2HD1 ILE 31 3HD1 ILE 31 2.454 0.010 -3.111 253 3HD1 ILE 31 2HD1 ILE 31 3.347 -0.025 -4.633 254 H GLN 32 H GLN 32 6.227 -3.787 -6.474 255 HA GLN 32 HA GLN 32 5.165 -6.122 -7.877 256 1HB GLN 32 2HB GLN 32 7.641 -4.387 -8.153 257 2HB GLN 32 1HB GLN 32 7.287 -5.716 -9.256 258 1HG GLN 32 2HG GLN 32 5.169 -4.689 -9.885 259 2HG GLN 32 1HG GLN 32 5.393 -3.408 -8.702 260 1HE2 GLN 32 1HE2 GLN 32 6.476 -4.619 -11.857 261 2HE2 GLN 32 2HE2 GLN 32 7.345 -3.225 -12.286 262 H SER 33 H SER 33 8.140 -5.492 -5.953 263 HA SER 33 HA SER 33 9.123 -8.226 -5.973 264 1HB SER 33 2HB SER 33 10.497 -7.271 -4.029 265 2HB SER 33 1HB SER 33 10.678 -6.489 -5.591 266 HG SER 33 HG SER 33 9.015 -5.650 -3.438 267 H LEU 34 H LEU 34 6.857 -6.472 -3.966 268 HA LEU 34 HA LEU 34 6.787 -8.369 -1.745 269 1HB LEU 34 2HB LEU 34 6.458 -5.856 -1.732 270 2HB LEU 34 1HB LEU 34 4.918 -6.107 -2.534 271 HG LEU 34 HG LEU 34 4.441 -7.706 -0.505 272 1HD1 LEU 34 3HD1 LEU 34 6.632 -5.896 0.528 273 2HD1 LEU 34 2HD1 LEU 34 5.581 -6.892 1.537 274 3HD1 LEU 34 1HD1 LEU 34 6.693 -7.654 0.397 275 1HD2 LEU 34 3HD2 LEU 34 3.951 -4.975 -1.047 276 2HD2 LEU 34 2HD2 LEU 34 3.068 -6.026 0.059 277 3HD2 LEU 34 1HD2 LEU 34 4.414 -5.061 0.652 278 H LYS 35 H LYS 35 4.513 -7.519 -4.436 279 HA LYS 35 HA LYS 35 2.489 -9.446 -3.712 280 1HB LYS 35 2HB LYS 35 3.104 -7.651 -6.013 281 2HB LYS 35 1HB LYS 35 2.041 -8.978 -6.363 282 1HG LYS 35 2HG LYS 35 1.049 -8.041 -3.973 283 2HG LYS 35 1HG LYS 35 1.493 -6.579 -4.853 284 1HD LYS 35 2HD LYS 35 -0.008 -6.988 -6.564 285 2HD LYS 35 1HD LYS 35 0.029 -8.733 -6.328 286 1HE LYS 35 2HE LYS 35 -1.011 -7.316 -3.973 287 2HE LYS 35 1HE LYS 35 -1.989 -7.043 -5.426 288 1HZ LYS 35 1HZ LYS 35 -1.051 -9.718 -4.518 289 2HZ LYS 35 3HZ LYS 35 -2.598 -9.098 -4.211 290 3HZ LYS 35 2HZ LYS 35 -2.108 -9.394 -5.809 291 H ASP 36 H ASP 36 5.367 -9.670 -5.798 292 HA ASP 36 HA ASP 36 4.714 -12.368 -6.759 293 1HB ASP 36 2HB ASP 36 7.055 -10.469 -6.942 294 2HB ASP 36 1HB ASP 36 7.198 -12.126 -7.525 295 H ASP 37 H ASP 37 6.962 -10.987 -4.287 296 HA ASP 37 HA ASP 37 7.409 -13.778 -3.264 297 1HB ASP 37 2HB ASP 37 9.307 -12.407 -4.341 298 2HB ASP 37 1HB ASP 37 9.249 -11.416 -2.886 299 HA PRO 38 HA PRO 38 5.210 -11.915 0.270 300 1HB PRO 38 2HB PRO 38 4.705 -14.299 1.512 301 2HB PRO 38 1HB PRO 38 3.749 -13.699 0.142 302 1HG PRO 38 2HG PRO 38 5.959 -15.694 0.154 303 2HG PRO 38 1HG PRO 38 4.399 -15.741 -0.688 304 1HD PRO 38 1HD PRO 38 6.685 -15.054 -1.932 305 2HD PRO 38 2HD PRO 38 5.110 -14.353 -2.363 306 H SER 39 H SER 39 7.846 -14.349 0.475 307 HA SER 39 HA SER 39 8.396 -14.081 3.282 308 1HB SER 39 2HB SER 39 10.134 -14.933 0.948 309 2HB SER 39 1HB SER 39 10.539 -15.200 2.642 310 HG SER 39 HG SER 39 9.025 -16.700 2.775 311 H GLN 40 H GLN 40 9.737 -12.209 0.516 312 HA GLN 40 HA GLN 40 11.642 -10.851 2.309 313 1HB GLN 40 2HB GLN 40 12.403 -9.738 0.291 314 2HB GLN 40 1HB GLN 40 12.162 -11.450 -0.068 315 1HG GLN 40 2HG GLN 40 9.930 -10.903 -1.000 316 2HG GLN 40 1HG GLN 40 10.238 -9.203 -0.674 317 1HE2 GLN 40 1HE2 GLN 40 11.574 -8.043 -2.171 318 2HE2 GLN 40 2HE2 GLN 40 12.275 -8.763 -3.536 319 H SER 41 H SER 41 8.384 -10.483 2.154 320 HA SER 41 HA SER 41 7.904 -7.762 1.558 321 1HB SER 41 2HB SER 41 6.605 -9.643 3.560 322 2HB SER 41 1HB SER 41 5.914 -8.093 3.091 323 HG SER 41 HG SER 41 6.147 -10.464 1.670 324 H ALA 42 H ALA 42 8.807 -9.152 4.796 325 HA ALA 42 HA ALA 42 8.738 -6.633 6.203 326 1HB ALA 42 2HB ALA 42 10.550 -9.029 6.483 327 2HB ALA 42 3HB ALA 42 8.997 -8.803 7.299 328 3HB ALA 42 1HB ALA 42 10.363 -7.756 7.690 329 H ASN 43 H ASN 43 11.401 -8.322 4.497 330 HA ASN 43 HA ASN 43 13.485 -6.403 4.822 331 1HB ASN 43 2HB ASN 43 12.774 -8.645 3.030 332 2HB ASN 43 1HB ASN 43 13.855 -7.444 2.313 333 1HD2 ASN 43 1HD2 ASN 43 13.647 -8.735 5.708 334 2HD2 ASN 43 2HD2 ASN 43 15.271 -9.221 5.767 335 H LEU 44 H LEU 44 10.850 -6.722 2.455 336 HA LEU 44 HA LEU 44 11.612 -4.595 0.699 337 1HB LEU 44 2HB LEU 44 9.062 -6.028 1.362 338 2HB LEU 44 1HB LEU 44 9.078 -4.691 0.210 339 HG LEU 44 HG LEU 44 10.843 -7.129 0.070 340 1HD1 LEU 44 1HD1 LEU 44 8.235 -6.353 -1.144 341 2HD1 LEU 44 3HD1 LEU 44 9.348 -7.365 -2.069 342 3HD1 LEU 44 2HD1 LEU 44 8.751 -7.911 -0.500 343 1HD2 LEU 44 1HD2 LEU 44 11.019 -4.473 -1.066 344 2HD2 LEU 44 3HD2 LEU 44 12.090 -5.875 -1.289 345 3HD2 LEU 44 2HD2 LEU 44 10.700 -5.674 -2.365 346 H LEU 45 H LEU 45 9.488 -4.722 3.559 347 HA LEU 45 HA LEU 45 8.891 -1.881 3.379 348 1HB LEU 45 2HB LEU 45 7.486 -3.253 4.704 349 2HB LEU 45 1HB LEU 45 8.840 -3.909 5.616 350 HG LEU 45 HG LEU 45 9.223 -1.810 6.716 351 1HD1 LEU 45 3HD1 LEU 45 7.291 -0.717 4.656 352 2HD1 LEU 45 2HD1 LEU 45 7.664 0.162 6.135 353 3HD1 LEU 45 1HD1 LEU 45 8.947 -0.194 4.979 354 1HD2 LEU 45 3HD2 LEU 45 7.336 -3.215 7.517 355 2HD2 LEU 45 2HD2 LEU 45 7.110 -1.502 7.881 356 3HD2 LEU 45 1HD2 LEU 45 6.232 -2.245 6.543 357 H ALA 46 H ALA 46 11.335 -3.815 5.216 358 HA ALA 46 HA ALA 46 12.723 -1.679 6.512 359 1HB ALA 46 1HB ALA 46 13.427 -4.368 5.330 360 2HB ALA 46 3HB ALA 46 14.744 -3.309 5.851 361 3HB ALA 46 2HB ALA 46 13.516 -3.830 7.017 362 H GLU 47 H GLU 47 13.253 -2.970 3.160 363 HA GLU 47 HA GLU 47 15.352 -1.055 2.616 364 1HB GLU 47 2HB GLU 47 15.117 -1.835 0.271 365 2HB GLU 47 1HB GLU 47 15.305 -3.154 1.415 366 1HG GLU 47 2HG GLU 47 12.786 -3.322 1.365 367 2HG GLU 47 1HG GLU 47 12.867 -2.262 -0.041 368 H ALA 48 H ALA 48 11.785 -1.110 2.163 369 HA ALA 48 HA ALA 48 11.634 1.386 0.722 370 1HB ALA 48 2HB ALA 48 9.957 -0.536 1.218 371 2HB ALA 48 1HB ALA 48 9.684 0.303 2.752 372 3HB ALA 48 3HB ALA 48 9.327 1.109 1.218 373 H LYS 49 H LYS 49 11.776 0.494 4.183 374 HA LYS 49 HA LYS 49 11.399 3.086 5.401 375 1HB LYS 49 2HB LYS 49 12.765 0.480 6.144 376 2HB LYS 49 1HB LYS 49 12.652 1.792 7.285 377 1HG LYS 49 2HG LYS 49 10.369 0.292 6.006 378 2HG LYS 49 1HG LYS 49 10.878 0.187 7.683 379 1HD LYS 49 2HD LYS 49 10.449 2.732 7.735 380 2HD LYS 49 1HD LYS 49 9.536 2.446 6.246 381 1HE LYS 49 2HE LYS 49 8.552 0.437 7.743 382 2HE LYS 49 1HE LYS 49 8.910 1.600 9.031 383 1HZ LYS 49 3HZ LYS 49 7.422 2.263 6.538 384 2HZ LYS 49 2HZ LYS 49 6.687 1.942 8.035 385 3HZ LYS 49 1HZ LYS 49 7.696 3.296 7.857 386 H LYS 50 H LYS 50 14.102 1.135 4.332 387 HA LYS 50 HA LYS 50 16.337 2.759 5.043 388 1HB LYS 50 2HB LYS 50 16.666 0.474 4.526 389 2HB LYS 50 1HB LYS 50 15.618 0.560 3.132 390 1HG LYS 50 2HG LYS 50 17.512 2.145 2.178 391 2HG LYS 50 1HG LYS 50 18.505 1.277 3.351 392 1HD LYS 50 2HD LYS 50 16.681 -0.143 1.373 393 2HD LYS 50 1HD LYS 50 18.381 0.211 1.029 394 1HE LYS 50 2HE LYS 50 18.999 -1.046 3.139 395 2HE LYS 50 1HE LYS 50 17.296 -1.528 3.279 396 1HZ LYS 50 1HZ LYS 50 17.425 -2.415 1.005 397 2HZ LYS 50 3HZ LYS 50 19.077 -2.025 0.941 398 3HZ LYS 50 2HZ LYS 50 18.520 -3.192 2.042 399 H LEU 51 H LEU 51 14.245 2.598 2.152 400 HA LEU 51 HA LEU 51 15.661 4.600 0.587 401 1HB LEU 51 2HB LEU 51 13.169 3.000 0.520 402 2HB LEU 51 1HB LEU 51 13.061 4.541 -0.312 403 HG LEU 51 HG LEU 51 14.624 3.942 -1.913 404 1HD1 LEU 51 2HD1 LEU 51 15.739 2.148 0.222 405 2HD1 LEU 51 1HD1 LEU 51 16.093 1.806 -1.471 406 3HD1 LEU 51 3HD1 LEU 51 16.571 3.353 -0.764 407 1HD2 LEU 51 3HD2 LEU 51 13.031 1.618 -0.955 408 2HD2 LEU 51 2HD2 LEU 51 12.936 2.486 -2.489 409 3HD2 LEU 51 1HD2 LEU 51 14.237 1.323 -2.210 410 H ASN 52 H ASN 52 12.945 4.614 2.857 411 HA ASN 52 HA ASN 52 11.959 7.235 2.484 412 1HB ASN 52 2HB ASN 52 10.984 5.327 3.813 413 2HB ASN 52 1HB ASN 52 12.181 5.656 5.064 414 1HD2 ASN 52 1HD2 ASN 52 11.682 7.272 6.566 415 2HD2 ASN 52 2HD2 ASN 52 10.364 8.335 6.419 416 H ASP 53 H ASP 53 14.580 6.039 4.616 417 HA ASP 53 HA ASP 53 15.205 8.724 5.657 418 1HB ASP 53 2HB ASP 53 16.653 6.061 5.845 419 2HB ASP 53 1HB ASP 53 17.024 7.492 6.805 420 H ALA 54 H ALA 54 16.654 6.472 3.277 421 HA ALA 54 HA ALA 54 19.034 8.020 2.727 422 1HB ALA 54 3HB ALA 54 17.497 6.041 1.007 423 2HB ALA 54 2HB ALA 54 19.184 6.509 0.784 424 3HB ALA 54 1HB ALA 54 18.700 5.608 2.221 425 H GLN 55 H GLN 55 15.840 7.840 1.117 426 HA GLN 55 HA GLN 55 16.494 9.965 -0.817 427 1HB GLN 55 2HB GLN 55 13.914 8.529 -0.138 428 2HB GLN 55 1HB GLN 55 14.160 9.567 -1.536 429 1HG GLN 55 2HG GLN 55 15.926 8.040 -2.367 430 2HG GLN 55 1HG GLN 55 15.675 6.986 -0.971 431 1HE2 GLN 55 1HE2 GLN 55 12.972 6.746 -0.726 432 2HE2 GLN 55 2HE2 GLN 55 12.273 6.143 -2.146 433 H ALA 56 H ALA 56 15.557 9.977 2.468 434 HA ALA 56 HA ALA 56 13.578 12.045 2.574 435 1HB ALA 56 1HB ALA 56 15.207 12.195 4.874 436 2HB ALA 56 3HB ALA 56 13.700 11.296 4.698 437 3HB ALA 56 2HB ALA 56 15.239 10.500 4.374 438 HA PRO 57 HA PRO 57 15.871 15.696 1.862 439 1HB PRO 57 2HB PRO 57 14.456 17.482 3.378 440 2HB PRO 57 1HB PRO 57 13.848 16.810 1.853 441 1HG PRO 57 2HG PRO 57 13.207 16.025 4.649 442 2HG PRO 57 1HG PRO 57 12.138 16.164 3.244 443 1HD PRO 57 1HD PRO 57 13.096 13.793 4.177 444 2HD PRO 57 2HD PRO 57 12.669 14.075 2.473 445 H LYS 58 H LYS 58 17.495 17.020 2.841 446 HA LYS 58 HA LYS 58 18.477 16.078 5.472 447 1HB LYS 58 2HB LYS 58 19.898 16.376 3.403 448 2HB LYS 58 1HB LYS 58 19.631 18.113 3.532 449 1HG LYS 58 2HG LYS 58 20.469 17.702 6.031 450 2HG LYS 58 1HG LYS 58 21.246 16.303 5.291 451 1HD LYS 58 2HD LYS 58 22.917 17.766 4.802 452 2HD LYS 58 1HD LYS 58 21.864 18.261 3.479 453 1HE LYS 58 2HE LYS 58 21.559 19.528 6.209 454 2HE LYS 58 1HE LYS 58 22.786 20.121 5.075 455 1HZ LYS 58 2HZ LYS 58 20.963 20.200 3.366 456 2HZ LYS 58 1HZ LYS 58 19.853 19.924 4.625 457 3HZ LYS 58 3HZ LYS 58 20.805 21.324 4.628 458 H1 VAL 1 3H VAL 1 -0.087 -19.019 -11.407 459 H2 VAL 1 2H VAL 1 -0.838 -19.905 -10.165 460 H3 VAL 1 1H VAL 1 -1.608 -18.548 -10.829 461 HA VAL 1 HA VAL 1 -0.756 -17.810 -8.769 462 HB VAL 1 HB VAL 1 1.741 -18.200 -8.308 463 1HG1 VAL 1 2HG1 VAL 1 -0.249 -19.540 -7.378 464 2HG1 VAL 1 1HG1 VAL 1 0.201 -20.785 -8.545 465 3HG1 VAL 1 3HG1 VAL 1 1.342 -20.296 -7.293 466 1HG2 VAL 1 2HG2 VAL 1 2.172 -18.849 -10.778 467 2HG2 VAL 1 1HG2 VAL 1 2.950 -19.830 -9.536 468 3HG2 VAL 1 3HG2 VAL 1 1.501 -20.421 -10.349 469 H ASP 2 H ASP 2 -1.351 -16.270 -10.804 470 HA ASP 2 HA ASP 2 0.960 -14.853 -11.956 471 1HB ASP 2 2HB ASP 2 -1.196 -15.296 -13.159 472 2HB ASP 2 1HB ASP 2 -2.016 -14.228 -12.020 473 H ASN 3 H ASN 3 2.007 -13.248 -10.864 474 HA ASN 3 HA ASN 3 0.526 -11.739 -8.730 475 1HB ASN 3 2HB ASN 3 3.438 -12.506 -9.098 476 2HB ASN 3 1HB ASN 3 2.899 -11.380 -7.854 477 1HD2 ASN 3 1HD2 ASN 3 3.598 -14.628 -8.336 478 2HD2 ASN 3 2HD2 ASN 3 2.650 -15.289 -7.093 479 H LYS 4 H LYS 4 0.140 -10.880 -11.341 480 HA LYS 4 HA LYS 4 2.020 -8.598 -11.813 481 1HB LYS 4 2HB LYS 4 -0.230 -9.825 -13.449 482 2HB LYS 4 1HB LYS 4 0.794 -8.499 -13.995 483 1HG LYS 4 2HG LYS 4 2.793 -9.967 -13.709 484 2HG LYS 4 1HG LYS 4 1.718 -11.297 -13.270 485 1HD LYS 4 2HD LYS 4 0.554 -11.000 -15.479 486 2HD LYS 4 1HD LYS 4 1.790 -9.818 -15.916 487 1HE LYS 4 2HE LYS 4 3.439 -11.426 -16.161 488 2HE LYS 4 1HE LYS 4 2.731 -12.488 -14.928 489 1HZ LYS 4 3HZ LYS 4 1.542 -11.942 -17.605 490 2HZ LYS 4 2HZ LYS 4 2.374 -13.359 -17.174 491 3HZ LYS 4 1HZ LYS 4 0.900 -12.976 -16.420 492 H PHE 5 H PHE 5 -0.351 -8.816 -9.704 493 HA PHE 5 HA PHE 5 -2.058 -6.555 -10.583 494 1HB PHE 5 2HB PHE 5 -2.127 -8.430 -8.190 495 2HB PHE 5 1HB PHE 5 -3.383 -7.299 -8.643 496 HD1 PHE 5 HD1 PHE 5 -4.531 -7.559 -10.914 497 HD2 PHE 5 HD2 PHE 5 -2.009 -10.586 -9.203 498 HE1 PHE 5 HE1 PHE 5 -5.485 -9.229 -12.461 499 HE2 PHE 5 HE2 PHE 5 -2.974 -12.260 -10.753 500 HZ PHE 5 HZ PHE 5 -4.711 -11.584 -12.384 501 H ASN 6 H ASN 6 0.817 -6.147 -9.764 502 HA ASN 6 HA ASN 6 0.562 -4.731 -7.170 503 1HB ASN 6 2HB ASN 6 3.155 -4.592 -7.533 504 2HB ASN 6 1HB ASN 6 2.421 -6.118 -7.064 505 1HD2 ASN 6 1HD2 ASN 6 3.569 -7.731 -8.172 506 2HD2 ASN 6 2HD2 ASN 6 3.952 -7.681 -9.824 507 H LYS 7 H LYS 7 0.909 -3.991 -10.552 508 HA LYS 7 HA LYS 7 1.983 -1.315 -10.291 509 1HB LYS 7 2HB LYS 7 0.654 -3.006 -12.342 510 2HB LYS 7 1HB LYS 7 0.491 -1.270 -12.579 511 1HG LYS 7 2HG LYS 7 2.481 -1.720 -13.729 512 2HG LYS 7 1HG LYS 7 3.077 -1.219 -12.149 513 1HD LYS 7 2HD LYS 7 4.289 -3.185 -12.554 514 2HD LYS 7 1HD LYS 7 2.956 -3.751 -11.555 515 1HE LYS 7 2HE LYS 7 2.062 -3.819 -14.276 516 2HE LYS 7 1HE LYS 7 3.649 -4.606 -14.204 517 1HZ LYS 7 1HZ LYS 7 2.854 -5.870 -12.256 518 2HZ LYS 7 3HZ LYS 7 1.315 -5.181 -12.447 519 3HZ LYS 7 2HZ LYS 7 1.943 -6.200 -13.651 520 H GLU 8 H GLU 8 -1.225 -2.674 -10.285 521 HA GLU 8 HA GLU 8 -2.650 -0.178 -10.181 522 1HB GLU 8 2HB GLU 8 -4.562 -1.630 -9.725 523 2HB GLU 8 1HB GLU 8 -3.550 -2.350 -10.976 524 1HG GLU 8 2HG GLU 8 -2.469 -3.775 -9.251 525 2HG GLU 8 1HG GLU 8 -3.569 -3.108 -8.040 526 H LEU 9 H LEU 9 -1.124 -2.160 -7.685 527 HA LEU 9 HA LEU 9 -2.566 -0.905 -5.495 528 1HB LEU 9 2HB LEU 9 0.178 -2.127 -5.269 529 2HB LEU 9 1HB LEU 9 -1.036 -1.961 -4.052 530 HG LEU 9 HG LEU 9 -1.493 -3.704 -6.464 531 1HD1 LEU 9 2HD1 LEU 9 0.274 -4.107 -4.194 532 2HD1 LEU 9 1HD1 LEU 9 -1.057 -5.265 -4.129 533 3HD1 LEU 9 3HD1 LEU 9 -0.015 -5.198 -5.557 534 1HD2 LEU 9 3HD2 LEU 9 -2.785 -3.516 -3.706 535 2HD2 LEU 9 2HD2 LEU 9 -3.494 -2.917 -5.211 536 3HD2 LEU 9 1HD2 LEU 9 -3.243 -4.654 -4.974 537 H SER 10 H SER 10 0.270 -0.092 -7.415 538 HA SER 10 HA SER 10 1.441 1.831 -5.610 539 1HB SER 10 2HB SER 10 2.751 1.142 -7.409 540 2HB SER 10 1HB SER 10 1.444 1.279 -8.566 541 HG SER 10 HG SER 10 2.032 3.274 -8.895 542 H VAL 11 H VAL 11 -0.999 2.080 -8.239 543 HA VAL 11 HA VAL 11 -1.532 4.933 -7.726 544 HB VAL 11 HB VAL 11 -3.054 2.913 -9.418 545 1HG1 VAL 11 3HG1 VAL 11 -2.896 5.923 -9.317 546 2HG1 VAL 11 2HG1 VAL 11 -3.380 5.090 -10.796 547 3HG1 VAL 11 1HG1 VAL 11 -4.326 4.890 -9.322 548 1HG2 VAL 11 1HG2 VAL 11 -0.611 4.585 -10.113 549 2HG2 VAL 11 3HG2 VAL 11 -0.696 2.821 -10.055 550 3HG2 VAL 11 2HG2 VAL 11 -1.589 3.713 -11.293 551 H ALA 12 H ALA 12 -3.549 1.956 -7.533 552 HA ALA 12 HA ALA 12 -5.775 3.105 -6.160 553 1HB ALA 12 3HB ALA 12 -5.560 0.901 -7.429 554 2HB ALA 12 1HB ALA 12 -6.489 0.849 -5.933 555 3HB ALA 12 2HB ALA 12 -4.824 0.243 -5.958 556 H GLY 13 H GLY 13 -3.038 1.278 -4.900 557 1HA GLY 13 1HA GLY 13 -2.180 1.022 -2.764 558 2HA GLY 13 2HA GLY 13 -3.819 1.289 -2.170 559 H ARG 14 H ARG 14 -1.328 3.320 -3.794 560 HA ARG 14 HA ARG 14 -0.790 4.913 -1.516 561 1HB ARG 14 2HB ARG 14 0.150 4.732 -4.075 562 2HB ARG 14 1HB ARG 14 -0.591 6.326 -4.108 563 1HG ARG 14 2HG ARG 14 1.499 5.307 -2.165 564 2HG ARG 14 1HG ARG 14 1.728 6.534 -3.407 565 1HD ARG 14 2HD ARG 14 0.326 8.100 -2.236 566 2HD ARG 14 1HD ARG 14 -0.225 6.836 -1.113 567 HE ARG 14 HE ARG 14 2.197 6.620 -0.411 568 1HH1 ARG 14 1HH1 ARG 14 3.778 8.276 -2.055 569 2HH1 ARG 14 2HH1 ARG 14 3.773 9.836 -1.302 570 1HH2 ARG 14 1HH2 ARG 14 0.975 9.163 0.666 571 2HH2 ARG 14 2HH2 ARG 14 2.172 10.341 0.251 572 H GLU 15 H GLU 15 -3.292 5.497 -4.074 573 HA GLU 15 HA GLU 15 -4.127 8.099 -3.095 574 1HB GLU 15 2HB GLU 15 -5.466 5.878 -4.659 575 2HB GLU 15 1HB GLU 15 -6.296 7.393 -4.305 576 1HG GLU 15 2HG GLU 15 -4.447 8.634 -5.423 577 2HG GLU 15 1HG GLU 15 -3.687 7.095 -5.830 578 H ILE 16 H ILE 16 -5.192 4.776 -2.408 579 HA ILE 16 HA ILE 16 -7.228 5.317 -0.448 580 HB ILE 16 HB ILE 16 -5.426 2.970 -1.161 581 1HG1 ILE 16 2HG1 ILE 16 -8.424 3.304 -1.467 582 2HG1 ILE 16 1HG1 ILE 16 -7.276 3.758 -2.723 583 1HG2 ILE 16 3HG2 ILE 16 -7.360 3.244 1.083 584 2HG2 ILE 16 2HG2 ILE 16 -7.338 1.709 0.202 585 3HG2 ILE 16 1HG2 ILE 16 -5.871 2.304 0.995 586 1HD1 ILE 16 2HD1 ILE 16 -6.394 1.273 -2.308 587 2HD1 ILE 16 1HD1 ILE 16 -8.046 1.039 -1.739 588 3HD1 ILE 16 3HD1 ILE 16 -7.751 1.590 -3.389 589 H VAL 17 H VAL 17 -3.708 5.175 -0.320 590 HA VAL 17 HA VAL 17 -3.361 4.933 2.549 591 HB VAL 17 HB VAL 17 -1.681 5.577 0.135 592 1HG1 VAL 17 2HG1 VAL 17 -1.005 6.328 2.902 593 2HG1 VAL 17 1HG1 VAL 17 0.221 5.373 2.071 594 3HG1 VAL 17 3HG1 VAL 17 -0.326 6.900 1.377 595 1HG2 VAL 17 3HG2 VAL 17 -2.200 3.315 1.891 596 2HG2 VAL 17 2HG2 VAL 17 -1.489 3.366 0.256 597 3HG2 VAL 17 1HG2 VAL 17 -0.475 3.631 1.668 598 H THR 18 H THR 18 -3.346 7.744 0.279 599 HA THR 18 HA THR 18 -3.341 9.501 2.706 600 HB THR 18 HB THR 18 -1.156 9.210 1.505 601 HG1 THR 18 HG1 THR 18 -2.241 11.833 1.426 602 1HG2 THR 18 2HG2 THR 18 -2.113 9.089 -0.806 603 2HG2 THR 18 1HG2 THR 18 -2.488 10.808 -0.703 604 3HG2 THR 18 3HG2 THR 18 -0.810 10.267 -0.655 605 H LEU 19 H LEU 19 -5.807 8.787 0.971 606 HA LEU 19 HA LEU 19 -6.401 11.090 -0.666 607 1HB LEU 19 2HB LEU 19 -8.811 10.415 -0.215 608 2HB LEU 19 1HB LEU 19 -7.772 9.171 -0.893 609 HG LEU 19 HG LEU 19 -7.754 9.164 2.034 610 1HD1 LEU 19 1HD1 LEU 19 -10.320 9.037 0.484 611 2HD1 LEU 19 3HD1 LEU 19 -10.125 8.082 1.952 612 3HD1 LEU 19 2HD1 LEU 19 -9.983 9.839 2.019 613 1HD2 LEU 19 3HD2 LEU 19 -7.984 7.268 -0.274 614 2HD2 LEU 19 2HD2 LEU 19 -6.942 7.185 1.140 615 3HD2 LEU 19 1HD2 LEU 19 -8.638 6.728 1.272 616 HA PRO 20 HA PRO 20 -6.652 14.501 1.944 617 1HB PRO 20 2HB PRO 20 -8.871 15.856 1.062 618 2HB PRO 20 1HB PRO 20 -7.321 15.780 0.200 619 1HG PRO 20 2HG PRO 20 -9.789 14.144 -0.208 620 2HG PRO 20 1HG PRO 20 -8.751 14.931 -1.411 621 1HD PRO 20 1HD PRO 20 -8.550 12.314 -0.924 622 2HD PRO 20 2HD PRO 20 -7.103 13.298 -1.252 623 H ASN 21 H ASN 21 -9.631 12.545 2.216 624 HA ASN 21 HA ASN 21 -10.160 13.985 4.817 625 1HB ASN 21 2HB ASN 21 -12.045 12.754 2.809 626 2HB ASN 21 1HB ASN 21 -12.550 13.397 4.355 627 1HD2 ASN 21 1HD2 ASN 21 -13.641 14.442 2.010 628 2HD2 ASN 21 2HD2 ASN 21 -13.075 16.027 1.775 629 H LEU 22 H LEU 22 -8.584 11.370 4.413 630 HA LEU 22 HA LEU 22 -10.448 9.525 5.876 631 1HB LEU 22 2HB LEU 22 -9.290 9.067 3.571 632 2HB LEU 22 1HB LEU 22 -7.910 8.678 4.580 633 HG LEU 22 HG LEU 22 -9.603 7.195 5.894 634 1HD1 LEU 22 2HD1 LEU 22 -11.512 8.181 4.379 635 2HD1 LEU 22 1HD1 LEU 22 -10.939 6.998 3.205 636 3HD1 LEU 22 3HD1 LEU 22 -11.534 6.463 4.776 637 1HD2 LEU 22 1HD2 LEU 22 -7.677 6.724 4.041 638 2HD2 LEU 22 3HD2 LEU 22 -8.606 5.452 4.837 639 3HD2 LEU 22 2HD2 LEU 22 -9.075 6.019 3.232 640 H ASN 23 H ASN 23 -9.546 8.183 7.495 641 HA ASN 23 HA ASN 23 -7.276 9.440 9.014 642 1HB ASN 23 2HB ASN 23 -8.302 8.460 11.006 643 2HB ASN 23 1HB ASN 23 -9.502 9.379 10.113 644 1HD2 ASN 23 1HD2 ASN 23 -11.040 7.940 11.436 645 2HD2 ASN 23 2HD2 ASN 23 -11.423 6.410 10.813 646 H ASP 24 H ASP 24 -5.841 7.864 10.242 647 HA ASP 24 HA ASP 24 -4.579 6.072 8.503 648 1HB ASP 24 2HB ASP 24 -3.199 5.450 10.413 649 2HB ASP 24 1HB ASP 24 -3.498 7.181 10.381 650 HA PRO 25 HA PRO 25 -6.559 2.266 10.703 651 1HB PRO 25 2HB PRO 25 -9.182 2.517 11.474 652 2HB PRO 25 1HB PRO 25 -7.809 2.761 12.573 653 1HG PRO 25 2HG PRO 25 -9.454 4.782 11.126 654 2HG PRO 25 1HG PRO 25 -8.852 4.802 12.791 655 1HD PRO 25 1HD PRO 25 -7.671 6.209 10.829 656 2HD PRO 25 2HD PRO 25 -6.759 5.504 12.173 657 H GLN 26 H GLN 26 -8.727 4.477 8.841 658 HA GLN 26 HA GLN 26 -10.101 2.357 7.422 659 1HB GLN 26 2HB GLN 26 -9.702 5.325 6.986 660 2HB GLN 26 1HB GLN 26 -10.720 4.342 5.931 661 1HG GLN 26 2HG GLN 26 -12.218 3.795 7.675 662 2HG GLN 26 1HG GLN 26 -11.077 4.271 8.926 663 1HE2 GLN 26 1HE2 GLN 26 -13.462 5.412 9.298 664 2HE2 GLN 26 2HE2 GLN 26 -13.503 7.025 8.776 665 H LYS 27 H LYS 27 -7.422 4.566 6.368 666 HA LYS 27 HA LYS 27 -6.970 3.422 3.811 667 1HB LYS 27 2HB LYS 27 -4.520 4.131 4.257 668 2HB LYS 27 1HB LYS 27 -5.767 5.372 4.205 669 1HG LYS 27 2HG LYS 27 -5.806 5.022 6.823 670 2HG LYS 27 1HG LYS 27 -4.222 4.321 6.553 671 1HD LYS 27 2HD LYS 27 -3.957 6.694 7.019 672 2HD LYS 27 1HD LYS 27 -3.554 6.393 5.343 673 1HE LYS 27 2HE LYS 27 -5.382 7.546 4.535 674 2HE LYS 27 1HE LYS 27 -6.398 7.105 5.915 675 1HZ LYS 27 3HZ LYS 27 -5.024 8.563 7.317 676 2HZ LYS 27 2HZ LYS 27 -4.130 9.032 5.948 677 3HZ LYS 27 1HZ LYS 27 -5.777 9.425 6.066 678 H LYS 28 H LYS 28 -5.735 2.384 6.969 679 HA LYS 28 HA LYS 28 -4.030 0.249 6.100 680 1HB LYS 28 2HB LYS 28 -5.605 1.035 8.546 681 2HB LYS 28 1HB LYS 28 -5.115 -0.650 8.468 682 1HG LYS 28 2HG LYS 28 -2.998 1.249 7.791 683 2HG LYS 28 1HG LYS 28 -3.568 1.384 9.442 684 1HD LYS 28 2HD LYS 28 -2.860 -0.730 10.013 685 2HD LYS 28 1HD LYS 28 -3.089 -1.361 8.380 686 1HE LYS 28 2HE LYS 28 -1.034 -0.498 7.615 687 2HE LYS 28 1HE LYS 28 -0.915 0.658 8.952 688 1HZ LYS 28 2HZ LYS 28 -0.967 -2.282 9.384 689 2HZ LYS 28 1HZ LYS 28 0.479 -1.412 9.185 690 3HZ LYS 28 3HZ LYS 28 -0.539 -1.070 10.496 691 H ALA 29 H ALA 29 -7.521 0.341 6.963 692 HA ALA 29 HA ALA 29 -8.174 -2.404 6.727 693 1HB ALA 29 2HB ALA 29 -10.438 -1.615 6.741 694 2HB ALA 29 1HB ALA 29 -9.504 -0.466 7.697 695 3HB ALA 29 3HB ALA 29 -9.971 -0.064 6.046 696 H PHE 30 H PHE 30 -8.621 0.134 4.125 697 HA PHE 30 HA PHE 30 -9.345 -2.014 2.272 698 1HB PHE 30 2HB PHE 30 -8.654 0.297 0.748 699 2HB PHE 30 1HB PHE 30 -10.224 -0.418 1.000 700 HD1 PHE 30 HD1 PHE 30 -11.898 0.756 2.255 701 HD2 PHE 30 HD2 PHE 30 -7.801 1.996 2.376 702 HE1 PHE 30 HE1 PHE 30 -12.583 2.870 3.262 703 HE2 PHE 30 HE2 PHE 30 -8.504 4.131 3.412 704 HZ PHE 30 HZ PHE 30 -10.892 4.574 3.860 705 H ILE 31 H ILE 31 -6.267 -0.367 3.036 706 HA ILE 31 HA ILE 31 -4.905 -1.212 0.628 707 HB ILE 31 HB ILE 31 -4.044 -0.347 3.364 708 1HG1 ILE 31 2HG1 ILE 31 -4.377 0.748 0.667 709 2HG1 ILE 31 1HG1 ILE 31 -4.194 1.605 2.198 710 1HG2 ILE 31 1HG2 ILE 31 -2.492 -2.243 2.578 711 2HG2 ILE 31 3HG2 ILE 31 -2.106 -1.233 1.176 712 3HG2 ILE 31 2HG2 ILE 31 -1.692 -0.694 2.796 713 1HD1 ILE 31 3HD1 ILE 31 -1.880 0.325 0.775 714 2HD1 ILE 31 2HD1 ILE 31 -2.411 1.963 0.438 715 3HD1 ILE 31 1HD1 ILE 31 -1.855 1.537 2.068 716 H PHE 32 H PHE 32 -5.081 -2.669 3.900 717 HA PHE 32 HA PHE 32 -3.506 -4.967 3.318 718 1HB PHE 32 2HB PHE 32 -5.572 -4.193 5.361 719 2HB PHE 32 1HB PHE 32 -5.031 -5.867 5.309 720 HD1 PHE 32 HD1 PHE 32 -3.338 -6.356 6.933 721 HD2 PHE 32 HD2 PHE 32 -3.236 -2.448 4.911 722 HE1 PHE 32 HE1 PHE 32 -1.265 -5.738 8.071 723 HE2 PHE 32 HE2 PHE 32 -1.189 -1.950 6.112 724 HZ PHE 32 HZ PHE 32 -0.193 -3.594 7.641 725 H SER 33 H SER 33 -7.008 -4.337 2.779 726 HA SER 33 HA SER 33 -7.521 -7.050 1.759 727 1HB SER 33 2HB SER 33 -9.722 -6.100 1.191 728 2HB SER 33 1HB SER 33 -9.265 -5.637 2.823 729 HG SER 33 HG SER 33 -10.077 -3.894 1.561 730 H LEU 34 H LEU 34 -6.595 -3.885 0.368 731 HA LEU 34 HA LEU 34 -6.956 -4.405 -2.447 732 1HB LEU 34 2HB LEU 34 -6.385 -2.197 -1.364 733 2HB LEU 34 1HB LEU 34 -4.789 -2.805 -1.000 734 HG LEU 34 HG LEU 34 -4.680 -3.219 -3.583 735 1HD1 LEU 34 1HD1 LEU 34 -7.152 -1.647 -3.254 736 2HD1 LEU 34 3HD1 LEU 34 -6.033 -0.999 -4.456 737 3HD1 LEU 34 2HD1 LEU 34 -6.625 -2.656 -4.603 738 1HD2 LEU 34 3HD2 LEU 34 -3.694 -1.264 -1.913 739 2HD2 LEU 34 2HD2 LEU 34 -3.321 -1.373 -3.635 740 3HD2 LEU 34 1HD2 LEU 34 -4.603 -0.299 -3.082 741 H TRP 35 H TRP 35 -4.319 -5.071 -0.169 742 HA TRP 35 HA TRP 35 -2.449 -6.243 -2.000 743 1HB TRP 35 2HB TRP 35 -2.033 -5.382 0.318 744 2HB TRP 35 1HB TRP 35 -2.839 -6.828 0.948 745 HD1 TRP 35 HD1 TRP 35 -1.431 -8.954 1.094 746 HE1 TRP 35 HE1 TRP 35 0.849 -9.677 0.185 747 HE3 TRP 35 HE3 TRP 35 -0.358 -4.965 -1.850 748 HZ2 TRP 35 HZ2 TRP 35 2.881 -8.690 -1.546 749 HZ3 TRP 35 HZ3 TRP 35 1.748 -4.893 -3.136 750 HH2 TRP 35 HH2 TRP 35 3.352 -6.728 -2.979 751 H ASP 36 H ASP 36 -4.960 -7.721 0.142 752 HA ASP 36 HA ASP 36 -4.392 -10.466 -0.461 753 1HB ASP 36 2HB ASP 36 -6.830 -8.971 0.552 754 2HB ASP 36 1HB ASP 36 -6.831 -10.722 0.366 755 H ASP 37 H ASP 37 -6.917 -8.253 -1.745 756 HA ASP 37 HA ASP 37 -6.930 -9.883 -4.217 757 1HB ASP 37 2HB ASP 37 -9.320 -9.062 -2.537 758 2HB ASP 37 1HB ASP 37 -9.457 -9.720 -4.162 759 HA PRO 38 HA PRO 38 -6.679 -5.404 -5.272 760 1HB PRO 38 2HB PRO 38 -5.149 -5.768 -7.496 761 2HB PRO 38 1HB PRO 38 -4.483 -5.575 -5.868 762 1HG PRO 38 2HG PRO 38 -4.965 -8.083 -7.422 763 2HG PRO 38 1HG PRO 38 -3.562 -7.626 -6.439 764 1HD PRO 38 1HD PRO 38 -5.454 -9.303 -5.520 765 2HD PRO 38 2HD PRO 38 -4.612 -8.152 -4.451 766 H SER 39 H SER 39 -8.135 -8.189 -6.643 767 HA SER 39 HA SER 39 -9.011 -7.286 -9.222 768 1HB SER 39 2HB SER 39 -9.338 -9.499 -7.614 769 2HB SER 39 1HB SER 39 -10.935 -8.772 -7.521 770 HG SER 39 HG SER 39 -9.571 -9.857 -9.702 771 H GLN 40 H GLN 40 -10.078 -6.638 -5.905 772 HA GLN 40 HA GLN 40 -12.371 -4.930 -6.714 773 1HB GLN 40 2HB GLN 40 -11.195 -5.228 -3.940 774 2HB GLN 40 1HB GLN 40 -12.859 -4.883 -4.379 775 1HG GLN 40 2HG GLN 40 -11.398 -7.521 -4.636 776 2HG GLN 40 1HG GLN 40 -12.736 -7.148 -3.560 777 1HE2 GLN 40 1HE2 GLN 40 -12.322 -9.061 -6.042 778 2HE2 GLN 40 2HE2 GLN 40 -13.732 -8.795 -6.952 779 H SER 41 H SER 41 -9.180 -4.323 -7.000 780 HA SER 41 HA SER 41 -8.395 -2.164 -5.397 781 1HB SER 41 2HB SER 41 -7.002 -3.365 -6.967 782 2HB SER 41 1HB SER 41 -7.910 -2.705 -8.321 783 HG SER 41 HG SER 41 -5.854 -1.640 -7.668 784 H ALA 42 H ALA 42 -10.342 -2.059 -8.417 785 HA ALA 42 HA ALA 42 -10.554 0.804 -8.676 786 1HB ALA 42 2HB ALA 42 -12.596 -1.347 -9.361 787 2HB ALA 42 1HB ALA 42 -12.431 0.231 -10.136 788 3HB ALA 42 3HB ALA 42 -11.181 -0.993 -10.358 789 H ASN 43 H ASN 43 -12.644 -1.628 -7.122 790 HA ASN 43 HA ASN 43 -14.538 0.181 -5.966 791 1HB ASN 43 2HB ASN 43 -13.710 -2.688 -5.611 792 2HB ASN 43 1HB ASN 43 -14.923 -1.982 -4.541 793 1HD2 ASN 43 1HD2 ASN 43 -16.873 -0.949 -5.717 794 2HD2 ASN 43 2HD2 ASN 43 -17.368 -1.653 -7.181 795 H LEU 44 H LEU 44 -11.368 -1.040 -4.890 796 HA LEU 44 HA LEU 44 -11.641 -0.337 -2.087 797 1HB LEU 44 2HB LEU 44 -9.530 -1.166 -4.017 798 2HB LEU 44 1HB LEU 44 -8.992 -0.422 -2.512 799 HG LEU 44 HG LEU 44 -11.116 -2.505 -2.336 800 1HD1 LEU 44 3HD1 LEU 44 -8.672 -3.012 -3.693 801 2HD1 LEU 44 2HD1 LEU 44 -8.534 -3.737 -2.088 802 3HD1 LEU 44 1HD1 LEU 44 -9.870 -4.192 -3.147 803 1HD2 LEU 44 1HD2 LEU 44 -8.942 -1.268 -0.701 804 2HD2 LEU 44 3HD2 LEU 44 -10.605 -1.680 -0.255 805 3HD2 LEU 44 2HD2 LEU 44 -9.378 -2.946 -0.343 806 H LEU 45 H LEU 45 -9.995 1.204 -4.788 807 HA LEU 45 HA LEU 45 -9.170 3.620 -3.509 808 1HB LEU 45 2HB LEU 45 -8.369 2.872 -5.722 809 2HB LEU 45 1HB LEU 45 -10.000 3.040 -6.378 810 HG LEU 45 HG LEU 45 -9.774 5.499 -5.406 811 1HD1 LEU 45 3HD1 LEU 45 -6.922 4.606 -5.843 812 2HD1 LEU 45 2HD1 LEU 45 -7.431 6.289 -5.701 813 3HD1 LEU 45 1HD1 LEU 45 -7.643 5.187 -4.337 814 1HD2 LEU 45 1HD2 LEU 45 -8.715 4.361 -7.981 815 2HD2 LEU 45 3HD2 LEU 45 -10.207 5.262 -7.686 816 3HD2 LEU 45 2HD2 LEU 45 -8.648 6.099 -7.672 817 H ALA 46 H ALA 46 -12.140 2.710 -5.268 818 HA ALA 46 HA ALA 46 -13.503 5.223 -5.103 819 1HB ALA 46 3HB ALA 46 -14.163 3.356 -6.566 820 2HB ALA 46 2HB ALA 46 -14.473 2.345 -5.154 821 3HB ALA 46 1HB ALA 46 -15.500 3.741 -5.481 822 H GLU 47 H GLU 47 -13.442 2.326 -2.990 823 HA GLU 47 HA GLU 47 -15.253 3.143 -0.959 824 1HB GLU 47 2HB GLU 47 -14.211 0.856 -1.378 825 2HB GLU 47 1HB GLU 47 -12.717 1.478 -0.678 826 1HG GLU 47 2HG GLU 47 -13.972 2.005 1.419 827 2HG GLU 47 1HG GLU 47 -15.407 1.270 0.717 828 H ALA 48 H ALA 48 -11.781 3.724 -1.432 829 HA ALA 48 HA ALA 48 -11.217 5.015 1.078 830 1HB ALA 48 3HB ALA 48 -9.252 4.423 0.030 831 2HB ALA 48 1HB ALA 48 -9.369 6.028 -0.699 832 3HB ALA 48 2HB ALA 48 -9.936 4.596 -1.591 833 H LYS 49 H LYS 49 -11.785 6.393 -2.196 834 HA LYS 49 HA LYS 49 -11.883 9.149 -1.392 835 1HB LYS 49 2HB LYS 49 -13.072 7.638 -3.744 836 2HB LYS 49 1HB LYS 49 -12.985 9.398 -3.650 837 1HG LYS 49 2HG LYS 49 -10.509 9.236 -3.392 838 2HG LYS 49 1HG LYS 49 -10.623 7.487 -3.585 839 1HD LYS 49 2HD LYS 49 -11.739 7.894 -5.818 840 2HD LYS 49 1HD LYS 49 -11.343 9.604 -5.630 841 1HE LYS 49 2HE LYS 49 -9.130 7.601 -5.275 842 2HE LYS 49 1HE LYS 49 -9.673 7.974 -6.920 843 1HZ LYS 49 1HZ LYS 49 -9.408 10.334 -6.439 844 2HZ LYS 49 3HZ LYS 49 -8.877 9.980 -4.867 845 3HZ LYS 49 2HZ LYS 49 -7.940 9.510 -6.203 846 H LYS 50 H LYS 50 -14.566 6.803 -1.943 847 HA LYS 50 HA LYS 50 -16.721 8.612 -1.332 848 1HB LYS 50 2HB LYS 50 -16.419 5.596 -1.175 849 2HB LYS 50 1HB LYS 50 -17.959 6.420 -0.934 850 1HG LYS 50 2HG LYS 50 -17.759 7.445 -3.181 851 2HG LYS 50 1HG LYS 50 -16.237 6.588 -3.429 852 1HD LYS 50 2HD LYS 50 -17.457 4.424 -3.080 853 2HD LYS 50 1HD LYS 50 -18.967 5.336 -3.005 854 1HE LYS 50 2HE LYS 50 -17.196 5.838 -5.368 855 2HE LYS 50 1HE LYS 50 -18.075 4.299 -5.320 856 1HZ LYS 50 3HZ LYS 50 -19.295 6.989 -4.913 857 2HZ LYS 50 2HZ LYS 50 -19.417 6.060 -6.331 858 3HZ LYS 50 1HZ LYS 50 -20.125 5.508 -4.889 859 H LEU 51 H LEU 51 -14.819 6.403 0.749 860 HA LEU 51 HA LEU 51 -16.311 6.838 3.184 861 1HB LEU 51 2HB LEU 51 -14.631 5.004 2.516 862 2HB LEU 51 1HB LEU 51 -13.353 6.139 2.921 863 HG LEU 51 HG LEU 51 -15.559 5.206 4.782 864 1HD1 LEU 51 1HD1 LEU 51 -13.911 3.427 4.157 865 2HD1 LEU 51 3HD1 LEU 51 -12.630 4.460 4.793 866 3HD1 LEU 51 2HD1 LEU 51 -13.877 3.845 5.873 867 1HD2 LEU 51 3HD2 LEU 51 -13.270 7.111 5.107 868 2HD2 LEU 51 2HD2 LEU 51 -14.938 7.271 5.653 869 3HD2 LEU 51 1HD2 LEU 51 -13.841 6.180 6.487 870 H ASN 52 H ASN 52 -13.480 8.517 1.735 871 HA ASN 52 HA ASN 52 -12.785 10.225 3.894 872 1HB ASN 52 2HB ASN 52 -11.324 10.965 2.328 873 2HB ASN 52 1HB ASN 52 -11.999 9.739 1.289 874 1HD2 ASN 52 1HD2 ASN 52 -10.764 12.391 0.580 875 2HD2 ASN 52 2HD2 ASN 52 -11.946 13.232 -0.297 876 H ASP 53 H ASP 53 -15.444 10.464 1.541 877 HA ASP 53 HA ASP 53 -16.217 13.169 2.050 878 1HB ASP 53 2HB ASP 53 -16.830 11.555 0.138 879 2HB ASP 53 1HB ASP 53 -18.029 10.878 1.243 880 H ALA 54 H ALA 54 -17.018 10.093 3.669 881 HA ALA 54 HA ALA 54 -19.292 10.979 5.191 882 1HB ALA 54 1HB ALA 54 -18.251 8.639 4.674 883 2HB ALA 54 3HB ALA 54 -17.275 8.937 6.113 884 3HB ALA 54 2HB ALA 54 -19.034 8.886 6.238 885 H GLN 55 H GLN 55 -15.788 11.174 5.806 886 HA GLN 55 HA GLN 55 -16.144 12.264 8.532 887 1HB GLN 55 2HB GLN 55 -13.872 11.523 6.693 888 2HB GLN 55 1HB GLN 55 -13.556 12.369 8.195 889 1HG GLN 55 2HG GLN 55 -14.475 10.606 9.513 890 2HG GLN 55 1HG GLN 55 -15.201 9.838 8.100 891 1HE2 GLN 55 1HE2 GLN 55 -13.155 9.742 6.271 892 2HE2 GLN 55 2HE2 GLN 55 -11.852 8.837 6.885 893 H ALA 56 H ALA 56 -15.184 13.417 5.283 894 HA ALA 56 HA ALA 56 -15.595 16.236 6.186 895 1HB ALA 56 1HB ALA 56 -13.318 16.280 6.359 896 2HB ALA 56 2HB ALA 56 -13.374 16.401 4.598 897 3HB ALA 56 3HB ALA 56 -13.130 14.832 5.369 898 HA PRO 57 HA PRO 57 -17.488 16.532 2.175 899 1HB PRO 57 2HB PRO 57 -17.318 19.225 1.737 900 2HB PRO 57 1HB PRO 57 -18.452 18.504 2.897 901 1HG PRO 57 2HG PRO 57 -15.860 19.864 3.379 902 2HG PRO 57 1HG PRO 57 -17.346 19.889 4.340 903 1HD PRO 57 1HD PRO 57 -15.122 18.386 4.945 904 2HD PRO 57 2HD PRO 57 -16.769 18.014 5.498 905 H LYS 58 H LYS 58 -16.893 16.696 -0.047 906 HA LYS 58 HA LYS 58 -14.000 16.745 -0.615 907 1HB LYS 58 2HB LYS 58 -16.519 16.199 -2.206 908 2HB LYS 58 1HB LYS 58 -14.927 16.225 -2.964 909 1HG LYS 58 2HG LYS 58 -14.153 14.487 -1.371 910 2HG LYS 58 1HG LYS 58 -15.768 14.432 -0.667 911 1HD LYS 58 2HD LYS 58 -16.711 13.769 -2.846 912 2HD LYS 58 1HD LYS 58 -15.102 13.837 -3.567 913 1HE LYS 58 2HE LYS 58 -15.524 12.115 -1.136 914 2HE LYS 58 1HE LYS 58 -16.050 11.516 -2.719 915 1HZ LYS 58 1HZ LYS 58 -13.348 12.655 -2.196 916 2HZ LYS 58 3HZ LYS 58 -13.688 10.997 -2.184 917 3HZ LYS 58 2HZ LYS 58 -13.881 11.886 -3.615 No H/Q in entry = 917 Start of MODEL 12 1 H1 VAL 1 2H VAL 1 -0.640 -21.569 5.052 2 H2 VAL 1 1H VAL 1 0.584 -21.763 3.888 3 H3 VAL 1 3H VAL 1 -0.492 -23.036 4.213 4 HA VAL 1 HA VAL 1 0.431 -23.446 6.343 5 HB VAL 1 HB VAL 1 2.528 -22.850 4.215 6 1HG1 VAL 1 1HG1 VAL 1 2.735 -24.407 6.809 7 2HG1 VAL 1 3HG1 VAL 1 3.870 -24.610 5.474 8 3HG1 VAL 1 2HG1 VAL 1 3.732 -23.049 6.285 9 1HG2 VAL 1 1HG2 VAL 1 0.917 -25.302 4.973 10 2HG2 VAL 1 3HG2 VAL 1 0.957 -24.474 3.416 11 3HG2 VAL 1 2HG2 VAL 1 2.359 -25.391 3.963 12 H ASP 2 H ASP 2 2.323 -20.702 4.932 13 HA ASP 2 HA ASP 2 3.127 -19.780 7.610 14 1HB ASP 2 2HB ASP 2 4.547 -19.742 5.508 15 2HB ASP 2 1HB ASP 2 3.493 -18.470 4.895 16 H ASN 3 H ASN 3 1.828 -18.477 8.822 17 HA ASN 3 HA ASN 3 -0.412 -16.990 7.544 18 1HB ASN 3 2HB ASN 3 0.323 -17.687 10.401 19 2HB ASN 3 1HB ASN 3 -1.102 -16.746 9.964 20 1HD2 ASN 3 1HD2 ASN 3 -2.546 -17.918 8.188 21 2HD2 ASN 3 2HD2 ASN 3 -2.734 -19.592 8.386 22 H LYS 4 H LYS 4 2.560 -16.332 9.426 23 HA LYS 4 HA LYS 4 2.058 -13.605 10.074 24 1HB LYS 4 2HB LYS 4 4.513 -13.476 10.392 25 2HB LYS 4 1HB LYS 4 3.839 -14.947 11.089 26 1HG LYS 4 2HG LYS 4 4.542 -16.196 9.045 27 2HG LYS 4 1HG LYS 4 5.278 -14.721 8.423 28 1HD LYS 4 2HD LYS 4 6.734 -14.626 10.432 29 2HD LYS 4 1HD LYS 4 6.037 -16.149 10.988 30 1HE LYS 4 2HE LYS 4 7.031 -16.215 8.198 31 2HE LYS 4 1HE LYS 4 8.288 -15.984 9.426 32 1HZ LYS 4 1HZ LYS 4 7.388 -17.862 10.663 33 2HZ LYS 4 3HZ LYS 4 6.182 -18.089 9.487 34 3HZ LYS 4 2HZ LYS 4 7.813 -18.341 9.088 35 H PHE 5 H PHE 5 3.653 -14.902 7.105 36 HA PHE 5 HA PHE 5 4.363 -12.364 6.026 37 1HB PHE 5 2HB PHE 5 3.844 -15.054 4.747 38 2HB PHE 5 1HB PHE 5 4.495 -13.680 3.861 39 HD1 PHE 5 HD1 PHE 5 5.929 -16.313 4.187 40 HD2 PHE 5 HD2 PHE 5 6.042 -12.746 6.590 41 HE1 PHE 5 HE1 PHE 5 8.196 -16.909 4.981 42 HE2 PHE 5 HE2 PHE 5 8.307 -13.350 7.372 43 HZ PHE 5 HZ PHE 5 9.383 -15.432 6.577 44 H ASN 6 H ASN 6 1.247 -14.052 5.972 45 HA ASN 6 HA ASN 6 0.000 -12.850 3.731 46 1HB ASN 6 2HB ASN 6 -1.057 -13.608 6.473 47 2HB ASN 6 1HB ASN 6 -2.108 -13.133 5.141 48 1HD2 ASN 6 1HD2 ASN 6 -1.266 -14.451 2.937 49 2HD2 ASN 6 2HD2 ASN 6 -1.138 -16.122 3.198 50 H LYS 7 H LYS 7 0.220 -11.526 7.094 51 HA LYS 7 HA LYS 7 -0.864 -8.950 6.107 52 1HB LYS 7 2HB LYS 7 -1.807 -9.683 8.148 53 2HB LYS 7 1HB LYS 7 -0.208 -10.005 8.852 54 1HG LYS 7 2HG LYS 7 0.282 -7.552 8.676 55 2HG LYS 7 1HG LYS 7 -1.366 -7.302 8.096 56 1HD LYS 7 2HD LYS 7 -2.286 -8.147 10.133 57 2HD LYS 7 1HD LYS 7 -0.682 -8.647 10.696 58 1HE LYS 7 2HE LYS 7 -0.038 -6.138 10.476 59 2HE LYS 7 1HE LYS 7 -1.786 -5.839 10.414 60 1HZ LYS 7 1HZ LYS 7 -2.038 -7.110 12.468 61 2HZ LYS 7 3HZ LYS 7 -0.361 -7.366 12.539 62 3HZ LYS 7 2HZ LYS 7 -0.988 -5.796 12.700 63 H GLU 8 H GLU 8 2.277 -10.329 7.017 64 HA GLU 8 HA GLU 8 3.693 -7.888 7.529 65 1HB GLU 8 2HB GLU 8 4.514 -10.544 6.326 66 2HB GLU 8 1HB GLU 8 5.659 -9.225 6.550 67 1HG GLU 8 2HG GLU 8 4.006 -10.504 8.746 68 2HG GLU 8 1HG GLU 8 5.728 -10.782 8.451 69 H GLN 9 H GLN 9 2.836 -9.595 4.527 70 HA GLN 9 HA GLN 9 4.096 -7.784 2.700 71 1HB GLN 9 2HB GLN 9 1.693 -9.616 2.451 72 2HB GLN 9 1HB GLN 9 2.439 -8.779 1.098 73 1HG GLN 9 2HG GLN 9 4.521 -9.977 1.440 74 2HG GLN 9 1HG GLN 9 3.860 -10.782 2.864 75 1HE2 GLN 9 1HE2 GLN 9 2.215 -12.459 2.508 76 2HE2 GLN 9 2HE2 GLN 9 1.926 -13.096 0.963 77 H GLN 10 H GLN 10 0.904 -8.003 4.217 78 HA GLN 10 HA GLN 10 -0.452 -5.804 2.951 79 1HB GLN 10 2HB GLN 10 -0.867 -7.778 4.912 80 2HB GLN 10 1HB GLN 10 -1.140 -6.260 5.725 81 1HG GLN 10 2HG GLN 10 -3.203 -6.334 4.832 82 2HG GLN 10 1HG GLN 10 -2.426 -5.900 3.324 83 1HE2 GLN 10 1HE2 GLN 10 -2.912 -8.919 5.286 84 2HE2 GLN 10 2HE2 GLN 10 -3.330 -9.881 3.952 85 H ASN 11 H ASN 11 1.368 -6.004 6.011 86 HA ASN 11 HA ASN 11 1.132 -3.209 6.689 87 1HB ASN 11 2HB ASN 11 1.671 -5.236 8.183 88 2HB ASN 11 1HB ASN 11 3.307 -5.172 7.522 89 1HD2 ASN 11 1HD2 ASN 11 4.735 -3.595 8.400 90 2HD2 ASN 11 2HD2 ASN 11 4.264 -2.433 9.545 91 H ALA 12 H ALA 12 3.716 -5.165 5.140 92 HA ALA 12 HA ALA 12 5.588 -3.015 4.758 93 1HB ALA 12 3HB ALA 12 5.074 -5.715 3.510 94 2HB ALA 12 1HB ALA 12 6.424 -5.210 4.535 95 3HB ALA 12 2HB ALA 12 6.327 -4.648 2.863 96 H PHE 13 H PHE 13 2.990 -4.359 2.706 97 HA PHE 13 HA PHE 13 3.366 -2.750 0.364 98 1HB PHE 13 2HB PHE 13 1.869 -4.671 0.327 99 2HB PHE 13 1HB PHE 13 0.957 -4.062 1.701 100 HD1 PHE 13 HD1 PHE 13 2.118 -2.417 -1.457 101 HD2 PHE 13 HD2 PHE 13 -1.210 -3.521 1.012 102 HE1 PHE 13 HE1 PHE 13 0.581 -1.352 -3.045 103 HE2 PHE 13 HE2 PHE 13 -2.744 -2.438 -0.579 104 HZ PHE 13 HZ PHE 13 -1.845 -1.362 -2.596 105 H TYR 14 H TYR 14 1.125 -2.356 3.102 106 HA TYR 14 HA TYR 14 0.103 0.210 2.540 107 1HB TYR 14 2HB TYR 14 -0.713 -1.377 4.203 108 2HB TYR 14 1HB TYR 14 0.746 -1.139 5.165 109 HD1 TYR 14 HD1 TYR 14 -2.352 0.449 3.926 110 HD2 TYR 14 HD2 TYR 14 1.110 0.877 6.423 111 HE1 TYR 14 HE1 TYR 14 -3.389 2.312 5.034 112 HE2 TYR 14 HE2 TYR 14 0.068 2.822 7.528 113 HH TYR 14 HH TYR 14 -2.616 3.514 7.868 114 H GLU 15 H GLU 15 2.809 -0.627 4.784 115 HA GLU 15 HA GLU 15 3.618 2.011 5.409 116 1HB GLU 15 2HB GLU 15 5.132 -0.610 5.233 117 2HB GLU 15 1HB GLU 15 5.844 0.866 5.880 118 1HG GLU 15 2HG GLU 15 3.344 -0.492 6.948 119 2HG GLU 15 1HG GLU 15 4.932 -0.541 7.699 120 H ILE 16 H ILE 16 4.649 -0.118 2.671 121 HA ILE 16 HA ILE 16 6.582 1.655 1.521 122 HB ILE 16 HB ILE 16 4.797 -0.577 0.603 123 1HG1 ILE 16 2HG1 ILE 16 7.679 -0.241 -0.081 124 2HG1 ILE 16 1HG1 ILE 16 7.275 -0.441 1.620 125 1HG2 ILE 16 3HG2 ILE 16 6.307 1.170 -1.360 126 2HG2 ILE 16 2HG2 ILE 16 5.581 -0.395 -1.736 127 3HG2 ILE 16 1HG2 ILE 16 4.553 0.968 -1.291 128 1HD1 ILE 16 2HD1 ILE 16 5.753 -2.358 0.189 129 2HD1 ILE 16 1HD1 ILE 16 7.415 -2.440 -0.425 130 3HD1 ILE 16 3HD1 ILE 16 7.111 -2.641 1.298 131 H LEU 17 H LEU 17 3.065 1.407 0.796 132 HA LEU 17 HA LEU 17 2.854 3.725 -0.901 133 1HB LEU 17 2HB LEU 17 0.829 2.481 0.983 134 2HB LEU 17 1HB LEU 17 0.442 3.603 -0.318 135 HG LEU 17 HG LEU 17 2.066 1.347 -1.215 136 1HD1 LEU 17 2HD1 LEU 17 0.020 0.743 0.620 137 2HD1 LEU 17 1HD1 LEU 17 -0.615 0.378 -0.996 138 3HD1 LEU 17 3HD1 LEU 17 0.885 -0.365 -0.445 139 1HD2 LEU 17 3HD2 LEU 17 0.684 3.052 -2.592 140 2HD2 LEU 17 2HD2 LEU 17 0.587 1.312 -3.010 141 3HD2 LEU 17 1HD2 LEU 17 -0.725 2.041 -2.053 142 H HIS 18 H HIS 18 2.620 3.411 2.650 143 HA HIS 18 HA HIS 18 1.948 6.263 3.019 144 1HB HIS 18 2HB HIS 18 2.343 3.874 4.847 145 2HB HIS 18 1HB HIS 18 2.002 5.485 5.468 146 HD1 HIS 18 HD1 HIS 18 -0.430 6.338 5.282 147 HD2 HIS 18 HD2 HIS 18 0.105 2.670 3.407 148 HE1 HIS 18 HE1 HIS 18 -2.724 5.420 4.628 149 H LEU 19 H LEU 19 4.935 4.746 2.452 150 HA LEU 19 HA LEU 19 6.590 5.945 4.511 151 1HB LEU 19 2HB LEU 19 6.990 4.636 1.840 152 2HB LEU 19 1HB LEU 19 8.320 5.600 2.469 153 HG LEU 19 HG LEU 19 6.979 3.328 3.978 154 1HD1 LEU 19 3HD1 LEU 19 9.591 3.453 2.455 155 2HD1 LEU 19 2HD1 LEU 19 9.140 2.139 3.536 156 3HD1 LEU 19 1HD1 LEU 19 8.203 2.438 2.078 157 1HD2 LEU 19 3HD2 LEU 19 9.276 5.175 4.599 158 2HD2 LEU 19 2HD2 LEU 19 7.916 4.723 5.625 159 3HD2 LEU 19 1HD2 LEU 19 9.205 3.558 5.310 160 HA PRO 20 HA PRO 20 6.182 10.098 2.965 161 1HB PRO 20 2HB PRO 20 8.039 11.289 4.585 162 2HB PRO 20 1HB PRO 20 6.411 10.826 5.119 163 1HG PRO 20 2HG PRO 20 9.003 9.441 5.539 164 2HG PRO 20 1HG PRO 20 7.634 9.630 6.642 165 1HD PRO 20 1HD PRO 20 8.141 7.339 5.253 166 2HD PRO 20 2HD PRO 20 6.516 7.837 5.772 167 H ASN 21 H ASN 21 9.138 8.223 2.566 168 HA ASN 21 HA ASN 21 10.147 10.393 0.754 169 1HB ASN 21 2HB ASN 21 11.530 8.592 2.715 170 2HB ASN 21 1HB ASN 21 12.426 9.311 1.379 171 1HD2 ASN 21 1HD2 ASN 21 11.993 9.867 4.552 172 2HD2 ASN 21 2HD2 ASN 21 11.947 11.562 4.578 173 H LEU 22 H LEU 22 8.605 7.539 0.462 174 HA LEU 22 HA LEU 22 10.429 6.294 -1.519 175 1HB LEU 22 2HB LEU 22 7.770 5.614 -0.261 176 2HB LEU 22 1HB LEU 22 8.211 4.845 -1.779 177 HG LEU 22 HG LEU 22 9.386 4.483 0.947 178 1HD1 LEU 22 1HD1 LEU 22 8.752 2.746 -1.446 179 2HD1 LEU 22 3HD1 LEU 22 9.626 2.130 -0.039 180 3HD1 LEU 22 2HD1 LEU 22 7.974 2.731 0.137 181 1HD2 LEU 22 1HD2 LEU 22 10.968 4.303 -1.634 182 2HD2 LEU 22 3HD2 LEU 22 11.378 5.210 -0.158 183 3HD2 LEU 22 2HD2 LEU 22 11.422 3.433 -0.162 184 H ASN 23 H ASN 23 10.093 6.424 -3.724 185 HA ASN 23 HA ASN 23 8.025 8.394 -4.628 186 1HB ASN 23 2HB ASN 23 9.483 8.307 -6.785 187 2HB ASN 23 1HB ASN 23 10.102 9.163 -5.393 188 1HD2 ASN 23 1HD2 ASN 23 10.924 6.863 -7.727 189 2HD2 ASN 23 2HD2 ASN 23 12.255 6.161 -6.941 190 H GLU 24 H GLU 24 7.366 7.791 -7.065 191 HA GLU 24 HA GLU 24 5.734 5.432 -6.882 192 1HB GLU 24 2HB GLU 24 6.515 7.438 -8.962 193 2HB GLU 24 1HB GLU 24 5.835 5.927 -9.558 194 1HG GLU 24 2HG GLU 24 4.049 7.576 -9.217 195 2HG GLU 24 1HG GLU 24 3.861 6.242 -8.089 196 H GLU 25 H GLU 25 8.955 5.932 -8.400 197 HA GLU 25 HA GLU 25 9.127 3.345 -9.674 198 1HB GLU 25 2HB GLU 25 10.576 5.369 -10.081 199 2HB GLU 25 1HB GLU 25 11.347 5.070 -8.526 200 1HG GLU 25 2HG GLU 25 11.947 2.761 -9.346 201 2HG GLU 25 1HG GLU 25 11.351 3.237 -10.937 202 H GLN 26 H GLN 26 10.208 4.489 -6.438 203 HA GLN 26 HA GLN 26 11.216 1.883 -5.585 204 1HB GLN 26 2HB GLN 26 10.549 4.449 -4.126 205 2HB GLN 26 1HB GLN 26 11.356 3.074 -3.378 206 1HG GLN 26 2HG GLN 26 12.451 4.312 -5.905 207 2HG GLN 26 1HG GLN 26 12.831 4.998 -4.332 208 1HE2 GLN 26 1HE2 GLN 26 15.054 4.364 -4.212 209 2HE2 GLN 26 2HE2 GLN 26 15.551 2.743 -4.199 210 H ARG 27 H ARG 27 8.400 3.816 -4.537 211 HA ARG 27 HA ARG 27 7.189 1.931 -2.793 212 1HB ARG 27 2HB ARG 27 6.781 4.475 -3.494 213 2HB ARG 27 1HB ARG 27 5.567 3.753 -4.548 214 1HG ARG 27 2HG ARG 27 4.245 3.111 -2.828 215 2HG ARG 27 1HG ARG 27 5.585 2.874 -1.717 216 1HD ARG 27 2HD ARG 27 4.017 4.906 -1.259 217 2HD ARG 27 1HD ARG 27 5.760 5.227 -1.262 218 HE ARG 27 HE ARG 27 4.449 5.504 -3.867 219 1HH1 ARG 27 1HH1 ARG 27 5.613 7.399 -4.726 220 2HH1 ARG 27 2HH1 ARG 27 5.567 8.831 -3.756 221 1HH2 ARG 27 1HH2 ARG 27 4.263 7.234 -0.956 222 2HH2 ARG 27 2HH2 ARG 27 4.801 8.736 -1.621 223 H ASN 28 H ASN 28 6.497 2.448 -6.334 224 HA ASN 28 HA ASN 28 4.407 0.414 -6.426 225 1HB ASN 28 2HB ASN 28 5.974 1.633 -8.696 226 2HB ASN 28 1HB ASN 28 4.417 0.859 -8.823 227 1HD2 ASN 28 1HD2 ASN 28 4.504 3.385 -9.837 228 2HD2 ASN 28 2HD2 ASN 28 3.755 4.489 -8.793 229 H ALA 29 H ALA 29 7.836 0.472 -7.537 230 HA ALA 29 HA ALA 29 7.895 -2.194 -8.622 231 1HB ALA 29 2HB ALA 29 9.603 -0.424 -8.953 232 2HB ALA 29 3HB ALA 29 10.321 -1.928 -8.369 233 3HB ALA 29 1HB ALA 29 10.065 -0.582 -7.259 234 H PHE 30 H PHE 30 8.231 -0.911 -5.347 235 HA PHE 30 HA PHE 30 9.171 -3.248 -3.977 236 1HB PHE 30 2HB PHE 30 7.757 -0.688 -3.380 237 2HB PHE 30 1HB PHE 30 7.668 -1.952 -2.155 238 HD1 PHE 30 HD1 PHE 30 9.057 -1.096 -0.516 239 HD2 PHE 30 HD2 PHE 30 10.539 -1.400 -4.523 240 HE1 PHE 30 HE1 PHE 30 11.302 -0.619 0.256 241 HE2 PHE 30 HE2 PHE 30 12.835 -0.921 -3.693 242 HZ PHE 30 HZ PHE 30 13.192 -0.587 -1.285 243 H ILE 31 H ILE 31 5.928 -2.052 -4.763 244 HA ILE 31 HA ILE 31 4.426 -4.137 -3.463 245 HB ILE 31 HB ILE 31 3.907 -2.191 -5.722 246 1HG1 ILE 31 2HG1 ILE 31 2.766 -2.242 -2.958 247 2HG1 ILE 31 1HG1 ILE 31 4.353 -1.551 -3.245 248 1HG2 ILE 31 2HG2 ILE 31 2.327 -4.474 -4.867 249 2HG2 ILE 31 1HG2 ILE 31 1.486 -2.943 -4.632 250 3HG2 ILE 31 3HG2 ILE 31 2.078 -3.383 -6.229 251 1HD1 ILE 31 1HD1 ILE 31 1.903 -0.737 -4.820 252 2HD1 ILE 31 3HD1 ILE 31 2.400 0.062 -3.311 253 3HD1 ILE 31 2HD1 ILE 31 3.486 0.095 -4.703 254 H GLN 32 H GLN 32 6.137 -3.967 -6.612 255 HA GLN 32 HA GLN 32 4.926 -6.414 -7.675 256 1HB GLN 32 2HB GLN 32 7.465 -4.876 -8.334 257 2HB GLN 32 1HB GLN 32 6.872 -6.237 -9.280 258 1HG GLN 32 2HG GLN 32 4.742 -5.017 -9.672 259 2HG GLN 32 1HG GLN 32 5.381 -3.642 -8.774 260 1HE2 GLN 32 1HE2 GLN 32 5.602 -5.411 -11.831 261 2HE2 GLN 32 2HE2 GLN 32 6.607 -4.287 -12.610 262 H SER 33 H SER 33 8.033 -5.644 -5.998 263 HA SER 33 HA SER 33 8.991 -8.381 -5.850 264 1HB SER 33 2HB SER 33 10.557 -7.354 -4.172 265 2HB SER 33 1HB SER 33 10.517 -6.526 -5.722 266 HG SER 33 HG SER 33 10.331 -4.975 -4.167 267 H LEU 34 H LEU 34 6.909 -6.410 -3.829 268 HA LEU 34 HA LEU 34 6.901 -8.199 -1.518 269 1HB LEU 34 2HB LEU 34 6.665 -5.731 -1.464 270 2HB LEU 34 1HB LEU 34 5.176 -5.853 -2.388 271 HG LEU 34 HG LEU 34 4.292 -7.304 -0.466 272 1HD1 LEU 34 2HD1 LEU 34 6.802 -6.195 0.758 273 2HD1 LEU 34 1HD1 LEU 34 5.413 -6.693 1.724 274 3HD1 LEU 34 3HD1 LEU 34 6.250 -7.872 0.716 275 1HD2 LEU 34 2HD2 LEU 34 3.913 -4.776 -0.954 276 2HD2 LEU 34 1HD2 LEU 34 3.488 -5.406 0.636 277 3HD2 LEU 34 3HD2 LEU 34 4.993 -4.520 0.417 278 H LYS 35 H LYS 35 4.595 -7.492 -4.208 279 HA LYS 35 HA LYS 35 2.528 -9.297 -3.309 280 1HB LYS 35 2HB LYS 35 3.183 -7.765 -5.801 281 2HB LYS 35 1HB LYS 35 2.030 -9.056 -5.957 282 1HG LYS 35 2HG LYS 35 1.235 -7.755 -3.651 283 2HG LYS 35 1HG LYS 35 1.660 -6.466 -4.775 284 1HD LYS 35 2HD LYS 35 -0.099 -6.923 -6.132 285 2HD LYS 35 1HD LYS 35 0.115 -8.666 -5.983 286 1HE LYS 35 2HE LYS 35 -0.937 -7.068 -3.647 287 2HE LYS 35 1HE LYS 35 -2.030 -7.606 -4.936 288 1HZ LYS 35 3HZ LYS 35 -1.147 -9.872 -4.655 289 2HZ LYS 35 2HZ LYS 35 -0.190 -9.336 -3.354 290 3HZ LYS 35 1HZ LYS 35 -1.884 -9.304 -3.237 291 H ASP 36 H ASP 36 5.433 -9.788 -5.301 292 HA ASP 36 HA ASP 36 4.659 -12.583 -5.920 293 1HB ASP 36 2HB ASP 36 6.902 -10.721 -6.710 294 2HB ASP 36 1HB ASP 36 6.928 -12.430 -7.139 295 H ASP 37 H ASP 37 6.787 -10.870 -3.636 296 HA ASP 37 HA ASP 37 7.845 -13.535 -2.727 297 1HB ASP 37 2HB ASP 37 9.343 -11.577 -3.732 298 2HB ASP 37 1HB ASP 37 9.223 -10.944 -2.089 299 HA PRO 38 HA PRO 38 5.222 -12.158 0.761 300 1HB PRO 38 2HB PRO 38 4.884 -14.668 1.802 301 2HB PRO 38 1HB PRO 38 3.915 -14.033 0.459 302 1HG PRO 38 2HG PRO 38 6.290 -15.831 0.372 303 2HG PRO 38 1HG PRO 38 4.761 -15.938 -0.518 304 1HD PRO 38 1HD PRO 38 6.993 -14.958 -1.648 305 2HD PRO 38 2HD PRO 38 5.376 -14.332 -2.041 306 H SER 39 H SER 39 7.967 -14.475 0.961 307 HA SER 39 HA SER 39 8.461 -14.094 3.783 308 1HB SER 39 2HB SER 39 10.480 -15.368 3.324 309 2HB SER 39 1HB SER 39 9.170 -16.043 2.366 310 HG SER 39 HG SER 39 10.048 -15.220 0.567 311 H GLN 40 H GLN 40 9.648 -12.364 0.897 312 HA GLN 40 HA GLN 40 11.640 -10.834 2.443 313 1HB GLN 40 2HB GLN 40 11.542 -11.596 -0.114 314 2HB GLN 40 1HB GLN 40 10.678 -10.066 -0.299 315 1HG GLN 40 2HG GLN 40 12.618 -9.003 1.003 316 2HG GLN 40 1HG GLN 40 13.489 -10.508 0.715 317 1HE2 GLN 40 1HE2 GLN 40 13.086 -7.454 -0.570 318 2HE2 GLN 40 2HE2 GLN 40 13.444 -7.791 -2.193 319 H SER 41 H SER 41 8.279 -10.604 2.369 320 HA SER 41 HA SER 41 7.720 -7.916 1.744 321 1HB SER 41 2HB SER 41 5.702 -8.282 3.099 322 2HB SER 41 1HB SER 41 6.078 -9.719 2.160 323 HG SER 41 HG SER 41 6.378 -10.775 3.957 324 H ALA 42 H ALA 42 8.650 -9.184 5.033 325 HA ALA 42 HA ALA 42 8.520 -6.595 6.323 326 1HB ALA 42 2HB ALA 42 10.348 -8.957 6.786 327 2HB ALA 42 3HB ALA 42 8.747 -8.747 7.506 328 3HB ALA 42 1HB ALA 42 10.060 -7.646 7.933 329 H ASN 43 H ASN 43 11.186 -8.365 4.713 330 HA ASN 43 HA ASN 43 13.305 -6.473 4.996 331 1HB ASN 43 2HB ASN 43 12.562 -8.754 3.300 332 2HB ASN 43 1HB ASN 43 13.574 -7.567 2.466 333 1HD2 ASN 43 1HD2 ASN 43 15.546 -6.809 3.995 334 2HD2 ASN 43 2HD2 ASN 43 16.340 -8.067 4.811 335 H LEU 44 H LEU 44 10.612 -6.740 2.698 336 HA LEU 44 HA LEU 44 11.438 -4.667 0.896 337 1HB LEU 44 2HB LEU 44 8.871 -6.068 1.544 338 2HB LEU 44 1HB LEU 44 8.925 -4.766 0.350 339 HG LEU 44 HG LEU 44 10.798 -7.126 0.328 340 1HD1 LEU 44 2HD1 LEU 44 8.192 -7.399 -0.034 341 2HD1 LEU 44 1HD1 LEU 44 8.605 -6.803 -1.642 342 3HD1 LEU 44 3HD1 LEU 44 9.360 -8.276 -1.026 343 1HD2 LEU 44 1HD2 LEU 44 10.801 -4.578 -0.912 344 2HD2 LEU 44 3HD2 LEU 44 11.843 -5.975 -1.255 345 3HD2 LEU 44 2HD2 LEU 44 10.339 -5.777 -2.171 346 H LEU 45 H LEU 45 9.322 -4.695 3.768 347 HA LEU 45 HA LEU 45 8.785 -1.828 3.524 348 1HB LEU 45 2HB LEU 45 7.309 -3.159 4.808 349 2HB LEU 45 1HB LEU 45 8.618 -3.838 5.767 350 HG LEU 45 HG LEU 45 9.001 -1.761 6.876 351 1HD1 LEU 45 1HD1 LEU 45 7.227 -0.605 4.712 352 2HD1 LEU 45 3HD1 LEU 45 7.473 0.249 6.234 353 3HD1 LEU 45 2HD1 LEU 45 8.850 -0.087 5.184 354 1HD2 LEU 45 3HD2 LEU 45 7.067 -3.120 7.596 355 2HD2 LEU 45 2HD2 LEU 45 6.843 -1.405 7.948 356 3HD2 LEU 45 1HD2 LEU 45 6.017 -2.140 6.575 357 H ALA 46 H ALA 46 11.153 -3.836 5.331 358 HA ALA 46 HA ALA 46 12.581 -1.762 6.708 359 1HB ALA 46 1HB ALA 46 13.284 -4.424 5.445 360 2HB ALA 46 3HB ALA 46 14.540 -3.427 6.193 361 3HB ALA 46 2HB ALA 46 13.181 -4.010 7.166 362 H GLU 47 H GLU 47 13.117 -3.099 3.387 363 HA GLU 47 HA GLU 47 15.265 -1.270 2.789 364 1HB GLU 47 2HB GLU 47 15.008 -2.088 0.480 365 2HB GLU 47 1HB GLU 47 15.030 -3.420 1.623 366 1HG GLU 47 2HG GLU 47 12.585 -3.479 1.513 367 2HG GLU 47 1HG GLU 47 12.636 -2.222 0.291 368 H ALA 48 H ALA 48 11.689 -1.198 2.368 369 HA ALA 48 HA ALA 48 11.623 1.243 0.829 370 1HB ALA 48 2HB ALA 48 9.875 -0.596 1.404 371 2HB ALA 48 1HB ALA 48 9.613 0.329 2.889 372 3HB ALA 48 3HB ALA 48 9.308 1.067 1.304 373 H LYS 49 H LYS 49 11.710 0.512 4.334 374 HA LYS 49 HA LYS 49 11.450 3.229 5.321 375 1HB LYS 49 2HB LYS 49 12.108 0.486 6.251 376 2HB LYS 49 1HB LYS 49 12.802 1.765 7.228 377 1HG LYS 49 2HG LYS 49 10.764 2.476 7.978 378 2HG LYS 49 1HG LYS 49 9.973 2.143 6.432 379 1HD LYS 49 2HD LYS 49 10.057 -0.247 6.881 380 2HD LYS 49 1HD LYS 49 10.850 0.047 8.430 381 1HE LYS 49 2HE LYS 49 8.209 1.347 7.785 382 2HE LYS 49 1HE LYS 49 8.276 -0.303 8.424 383 1HZ LYS 49 1HZ LYS 49 9.672 0.513 10.252 384 2HZ LYS 49 3HZ LYS 49 9.519 2.099 9.669 385 3HZ LYS 49 2HZ LYS 49 8.152 1.272 10.244 386 H LYS 50 H LYS 50 14.041 1.031 4.437 387 HA LYS 50 HA LYS 50 16.368 2.536 5.153 388 1HB LYS 50 2HB LYS 50 16.545 0.205 4.717 389 2HB LYS 50 1HB LYS 50 15.571 0.333 3.272 390 1HG LYS 50 2HG LYS 50 17.613 1.781 2.395 391 2HG LYS 50 1HG LYS 50 18.485 0.853 3.620 392 1HD LYS 50 2HD LYS 50 16.649 -0.472 1.593 393 2HD LYS 50 1HD LYS 50 18.368 -0.201 1.276 394 1HE LYS 50 2HE LYS 50 18.907 -1.475 3.386 395 2HE LYS 50 1HE LYS 50 17.179 -1.853 3.541 396 1HZ LYS 50 2HZ LYS 50 17.234 -2.790 1.292 397 2HZ LYS 50 1HZ LYS 50 18.904 -2.485 1.194 398 3HZ LYS 50 3HZ LYS 50 18.311 -3.603 2.321 399 H LEU 51 H LEU 51 14.323 2.370 2.226 400 HA LEU 51 HA LEU 51 15.855 4.267 0.621 401 1HB LEU 51 2HB LEU 51 13.265 2.797 0.570 402 2HB LEU 51 1HB LEU 51 13.303 4.288 -0.356 403 HG LEU 51 HG LEU 51 14.747 3.434 -1.912 404 1HD1 LEU 51 2HD1 LEU 51 15.900 1.835 0.351 405 2HD1 LEU 51 1HD1 LEU 51 16.256 1.406 -1.323 406 3HD1 LEU 51 3HD1 LEU 51 16.715 2.997 -0.702 407 1HD2 LEU 51 2HD2 LEU 51 13.165 1.259 -0.693 408 2HD2 LEU 51 1HD2 LEU 51 13.077 1.956 -2.313 409 3HD2 LEU 51 3HD2 LEU 51 14.369 0.822 -1.912 410 H ASN 52 H ASN 52 13.090 4.405 2.815 411 HA ASN 52 HA ASN 52 12.200 7.042 2.416 412 1HB ASN 52 2HB ASN 52 10.788 5.742 3.693 413 2HB ASN 52 1HB ASN 52 12.105 4.918 4.505 414 1HD2 ASN 52 1HD2 ASN 52 10.285 7.967 4.466 415 2HD2 ASN 52 2HD2 ASN 52 10.632 8.383 6.073 416 H ASP 53 H ASP 53 14.728 5.775 4.633 417 HA ASP 53 HA ASP 53 15.434 8.445 5.649 418 1HB ASP 53 2HB ASP 53 16.762 5.724 5.874 419 2HB ASP 53 1HB ASP 53 17.243 7.152 6.785 420 H ALA 54 H ALA 54 16.855 6.136 3.307 421 HA ALA 54 HA ALA 54 19.275 7.623 2.765 422 1HB ALA 54 2HB ALA 54 17.715 5.662 1.044 423 2HB ALA 54 1HB ALA 54 19.416 6.084 0.843 424 3HB ALA 54 3HB ALA 54 18.886 5.213 2.283 425 H GLN 55 H GLN 55 16.085 7.525 1.147 426 HA GLN 55 HA GLN 55 16.826 9.637 -0.786 427 1HB GLN 55 2HB GLN 55 14.220 8.188 -0.226 428 2HB GLN 55 1HB GLN 55 14.535 9.221 -1.615 429 1HG GLN 55 2HG GLN 55 16.367 7.686 -2.322 430 2HG GLN 55 1HG GLN 55 15.983 6.624 -0.963 431 1HE2 GLN 55 1HE2 GLN 55 13.255 6.447 -0.951 432 2HE2 GLN 55 2HE2 GLN 55 12.668 5.865 -2.432 433 H ALA 56 H ALA 56 16.091 9.798 2.447 434 HA ALA 56 HA ALA 56 13.945 11.715 2.594 435 1HB ALA 56 2HB ALA 56 16.010 11.783 4.691 436 2HB ALA 56 1HB ALA 56 14.285 11.448 4.827 437 3HB ALA 56 3HB ALA 56 15.398 10.160 4.349 438 HA PRO 57 HA PRO 57 16.054 15.476 1.762 439 1HB PRO 57 2HB PRO 57 14.570 17.227 3.242 440 2HB PRO 57 1HB PRO 57 13.941 16.437 1.783 441 1HG PRO 57 2HG PRO 57 13.456 15.788 4.634 442 2HG PRO 57 1HG PRO 57 12.343 15.732 3.262 443 1HD PRO 57 1HD PRO 57 13.587 13.549 4.374 444 2HD PRO 57 2HD PRO 57 12.954 13.615 2.716 445 H LYS 58 H LYS 58 17.823 14.313 3.259 446 HA LYS 58 HA LYS 58 18.303 15.951 5.728 447 1HB LYS 58 2HB LYS 58 17.919 13.463 5.932 448 2HB LYS 58 1HB LYS 58 19.382 13.213 4.979 449 1HG LYS 58 2HG LYS 58 20.676 14.497 6.675 450 2HG LYS 58 1HG LYS 58 19.211 14.648 7.646 451 1HD LYS 58 2HD LYS 58 19.055 12.157 7.730 452 2HD LYS 58 1HD LYS 58 20.583 12.058 6.857 453 1HE LYS 58 2HE LYS 58 20.493 13.737 9.348 454 2HE LYS 58 1HE LYS 58 20.555 11.973 9.519 455 1HZ LYS 58 3HZ LYS 58 22.459 11.923 8.020 456 2HZ LYS 58 2HZ LYS 58 22.409 13.614 7.858 457 3HZ LYS 58 1HZ LYS 58 22.788 12.913 9.358 458 H1 VAL 1 2H VAL 1 4.817 -15.514 -15.413 459 H2 VAL 1 1H VAL 1 6.471 -15.434 -15.027 460 H3 VAL 1 3H VAL 1 5.474 -16.570 -14.257 461 HA VAL 1 HA VAL 1 5.888 -14.776 -12.730 462 HB VAL 1 HB VAL 1 6.429 -13.241 -14.703 463 1HG1 VAL 1 1HG1 VAL 1 4.241 -13.598 -15.893 464 2HG1 VAL 1 3HG1 VAL 1 3.451 -12.666 -14.622 465 3HG1 VAL 1 2HG1 VAL 1 4.651 -11.901 -15.661 466 1HG2 VAL 1 1HG2 VAL 1 6.251 -12.512 -12.292 467 2HG2 VAL 1 3HG2 VAL 1 5.919 -11.236 -13.462 468 3HG2 VAL 1 2HG2 VAL 1 4.586 -12.029 -12.623 469 H ASP 2 H ASP 2 4.210 -14.010 -11.285 470 HA ASP 2 HA ASP 2 1.667 -15.430 -11.512 471 1HB ASP 2 2HB ASP 2 2.735 -13.355 -9.569 472 2HB ASP 2 1HB ASP 2 1.243 -14.261 -9.329 473 H ASN 3 H ASN 3 -0.412 -14.532 -11.842 474 HA ASN 3 HA ASN 3 -0.491 -11.977 -13.334 475 1HB ASN 3 2HB ASN 3 -1.670 -14.111 -14.017 476 2HB ASN 3 1HB ASN 3 -2.712 -13.925 -12.607 477 1HD2 ASN 3 1HD2 ASN 3 -1.712 -12.180 -15.607 478 2HD2 ASN 3 2HD2 ASN 3 -3.172 -11.331 -15.769 479 H LYS 4 H LYS 4 0.095 -10.650 -11.425 480 HA LYS 4 HA LYS 4 -2.200 -10.193 -9.532 481 1HB LYS 4 2HB LYS 4 0.808 -9.973 -9.217 482 2HB LYS 4 1HB LYS 4 -0.323 -9.319 -8.035 483 1HG LYS 4 2HG LYS 4 -1.347 -11.607 -7.837 484 2HG LYS 4 1HG LYS 4 -0.066 -12.220 -8.884 485 1HD LYS 4 2HD LYS 4 0.535 -10.683 -6.349 486 2HD LYS 4 1HD LYS 4 0.322 -12.432 -6.352 487 1HE LYS 4 2HE LYS 4 2.104 -11.755 -8.506 488 2HE LYS 4 1HE LYS 4 2.683 -10.966 -7.027 489 1HZ LYS 4 1HZ LYS 4 1.802 -13.805 -7.114 490 2HZ LYS 4 3HZ LYS 4 3.417 -13.332 -7.317 491 3HZ LYS 4 2HZ LYS 4 2.618 -13.011 -5.853 492 H PHE 5 H PHE 5 -2.813 -8.021 -9.163 493 HA PHE 5 HA PHE 5 -2.030 -6.075 -11.244 494 1HB PHE 5 2HB PHE 5 -4.131 -6.320 -9.087 495 2HB PHE 5 1HB PHE 5 -3.909 -4.814 -9.952 496 HD1 PHE 5 HD1 PHE 5 -4.278 -4.700 -12.415 497 HD2 PHE 5 HD2 PHE 5 -5.113 -8.251 -10.144 498 HE1 PHE 5 HE1 PHE 5 -5.622 -5.591 -14.297 499 HE2 PHE 5 HE2 PHE 5 -6.455 -9.142 -12.027 500 HZ PHE 5 HZ PHE 5 -6.711 -7.810 -14.105 501 H ASN 6 H ASN 6 0.251 -6.252 -9.981 502 HA ASN 6 HA ASN 6 0.604 -4.871 -7.481 503 1HB ASN 6 2HB ASN 6 2.584 -5.150 -9.763 504 2HB ASN 6 1HB ASN 6 2.968 -4.894 -8.067 505 1HD2 ASN 6 1HD2 ASN 6 4.046 -7.137 -9.477 506 2HD2 ASN 6 2HD2 ASN 6 3.354 -8.554 -8.850 507 H LYS 7 H LYS 7 0.701 -3.793 -10.833 508 HA LYS 7 HA LYS 7 1.552 -1.090 -10.464 509 1HB LYS 7 2HB LYS 7 1.346 -2.405 -12.618 510 2HB LYS 7 1HB LYS 7 -0.403 -2.213 -12.495 511 1HG LYS 7 2HG LYS 7 1.256 0.268 -12.314 512 2HG LYS 7 1HG LYS 7 1.138 -0.500 -13.894 513 1HD LYS 7 2HD LYS 7 -1.255 0.255 -12.183 514 2HD LYS 7 1HD LYS 7 -0.629 1.237 -13.501 515 1HE LYS 7 2HE LYS 7 -1.876 0.033 -14.960 516 2HE LYS 7 1HE LYS 7 -0.968 -1.423 -14.512 517 1HZ LYS 7 1HZ LYS 7 -3.269 -0.310 -12.976 518 2HZ LYS 7 3HZ LYS 7 -3.356 -1.640 -14.024 519 3HZ LYS 7 2HZ LYS 7 -2.416 -1.735 -12.614 520 H GLU 8 H GLU 8 -1.625 -2.599 -10.259 521 HA GLU 8 HA GLU 8 -3.129 -0.173 -9.996 522 1HB GLU 8 2HB GLU 8 -3.546 -3.058 -9.726 523 2HB GLU 8 1HB GLU 8 -4.556 -2.111 -8.637 524 1HG GLU 8 2HG GLU 8 -4.456 -2.037 -11.643 525 2HG GLU 8 1HG GLU 8 -5.837 -2.327 -10.598 526 H LEU 9 H LEU 9 -1.415 -2.170 -7.638 527 HA LEU 9 HA LEU 9 -2.557 -0.878 -5.316 528 1HB LEU 9 2HB LEU 9 0.229 -2.014 -5.426 529 2HB LEU 9 1HB LEU 9 -0.854 -1.914 -4.090 530 HG LEU 9 HG LEU 9 -1.447 -3.636 -6.472 531 1HD1 LEU 9 2HD1 LEU 9 0.313 -4.051 -4.149 532 2HD1 LEU 9 1HD1 LEU 9 -0.911 -5.313 -4.332 533 3HD1 LEU 9 3HD1 LEU 9 0.221 -4.982 -5.650 534 1HD2 LEU 9 2HD2 LEU 9 -3.401 -2.853 -5.147 535 2HD2 LEU 9 1HD2 LEU 9 -3.139 -4.596 -4.933 536 3HD2 LEU 9 3HD2 LEU 9 -2.635 -3.465 -3.673 537 H SER 10 H SER 10 -0.053 -0.022 -7.588 538 HA SER 10 HA SER 10 1.288 1.969 -6.010 539 1HB SER 10 2HB SER 10 2.541 1.574 -7.848 540 2HB SER 10 1HB SER 10 1.198 0.898 -8.724 541 HG SER 10 HG SER 10 1.111 2.702 -9.792 542 H VAL 11 H VAL 11 -1.242 2.184 -8.545 543 HA VAL 11 HA VAL 11 -1.858 5.006 -8.038 544 HB VAL 11 HB VAL 11 -3.407 2.923 -9.626 545 1HG1 VAL 11 3HG1 VAL 11 -3.273 5.929 -9.595 546 2HG1 VAL 11 2HG1 VAL 11 -3.741 5.076 -11.068 547 3HG1 VAL 11 1HG1 VAL 11 -4.689 4.877 -9.595 548 1HG2 VAL 11 2HG2 VAL 11 -0.963 4.546 -10.424 549 2HG2 VAL 11 1HG2 VAL 11 -1.097 2.784 -10.364 550 3HG2 VAL 11 3HG2 VAL 11 -2.001 3.703 -11.575 551 H ALA 12 H ALA 12 -3.760 1.988 -7.704 552 HA ALA 12 HA ALA 12 -5.999 3.081 -6.321 553 1HB ALA 12 1HB ALA 12 -5.619 0.814 -7.540 554 2HB ALA 12 2HB ALA 12 -6.644 0.817 -6.104 555 3HB ALA 12 3HB ALA 12 -4.969 0.257 -5.987 556 H GLY 13 H GLY 13 -3.175 1.369 -5.074 557 1HA GLY 13 1HA GLY 13 -2.224 1.239 -2.962 558 2HA GLY 13 2HA GLY 13 -3.863 1.397 -2.331 559 H ARG 14 H ARG 14 -1.583 3.554 -4.048 560 HA ARG 14 HA ARG 14 -1.092 5.228 -1.816 561 1HB ARG 14 2HB ARG 14 -0.054 5.019 -4.244 562 2HB ARG 14 1HB ARG 14 -1.084 6.422 -4.545 563 1HG ARG 14 2HG ARG 14 0.576 7.649 -3.602 564 2HG ARG 14 1HG ARG 14 0.039 6.974 -2.062 565 1HD ARG 14 2HD ARG 14 2.377 6.496 -2.223 566 2HD ARG 14 1HD ARG 14 1.541 4.971 -2.591 567 HE ARG 14 HE ARG 14 2.622 6.832 -4.641 568 1HH1 ARG 14 1HH1 ARG 14 2.023 5.982 -6.748 569 2HH1 ARG 14 2HH1 ARG 14 2.180 4.272 -6.947 570 1HH2 ARG 14 1HH2 ARG 14 2.601 3.639 -3.546 571 2HH2 ARG 14 2HH2 ARG 14 2.543 2.943 -5.120 572 H GLU 15 H GLU 15 -3.609 5.670 -4.394 573 HA GLU 15 HA GLU 15 -4.522 8.250 -3.476 574 1HB GLU 15 2HB GLU 15 -5.808 5.950 -4.978 575 2HB GLU 15 1HB GLU 15 -6.686 7.444 -4.641 576 1HG GLU 15 2HG GLU 15 -4.878 8.735 -5.766 577 2HG GLU 15 1HG GLU 15 -4.071 7.220 -6.166 578 H ILE 16 H ILE 16 -5.356 4.931 -2.581 579 HA ILE 16 HA ILE 16 -7.404 5.491 -0.625 580 HB ILE 16 HB ILE 16 -5.583 3.190 -1.393 581 1HG1 ILE 16 2HG1 ILE 16 -8.597 3.283 -1.363 582 2HG1 ILE 16 1HG1 ILE 16 -7.688 4.017 -2.679 583 1HG2 ILE 16 2HG2 ILE 16 -7.306 3.418 1.023 584 2HG2 ILE 16 1HG2 ILE 16 -7.296 1.874 0.154 585 3HG2 ILE 16 3HG2 ILE 16 -5.794 2.543 0.807 586 1HD1 ILE 16 3HD1 ILE 16 -6.543 1.479 -2.362 587 2HD1 ILE 16 2HD1 ILE 16 -8.280 1.217 -2.187 588 3HD1 ILE 16 1HD1 ILE 16 -7.648 1.990 -3.644 589 H VAL 17 H VAL 17 -3.866 5.424 -0.570 590 HA VAL 17 HA VAL 17 -3.498 5.481 2.332 591 HB VAL 17 HB VAL 17 -1.765 5.979 -0.111 592 1HG1 VAL 17 1HG1 VAL 17 -1.169 6.674 2.679 593 2HG1 VAL 17 3HG1 VAL 17 0.051 5.667 1.903 594 3HG1 VAL 17 2HG1 VAL 17 -0.397 7.215 1.191 595 1HG2 VAL 17 1HG2 VAL 17 -2.377 3.688 1.596 596 2HG2 VAL 17 3HG2 VAL 17 -1.661 3.756 -0.029 597 3HG2 VAL 17 2HG2 VAL 17 -0.640 3.967 1.387 598 H THR 18 H THR 18 -3.655 7.948 -0.278 599 HA THR 18 HA THR 18 -3.040 10.069 1.736 600 HB THR 18 HB THR 18 -2.255 11.330 -0.208 601 HG1 THR 18 HG1 THR 18 -3.354 10.833 -1.945 602 1HG2 THR 18 3HG2 THR 18 -0.810 9.578 0.881 603 2HG2 THR 18 2HG2 THR 18 -1.308 8.464 -0.392 604 3HG2 THR 18 1HG2 THR 18 -0.392 9.916 -0.799 605 H LEU 19 H LEU 19 -6.029 9.031 0.503 606 HA LEU 19 HA LEU 19 -7.028 11.513 -0.559 607 1HB LEU 19 2HB LEU 19 -9.292 10.646 0.114 608 2HB LEU 19 1HB LEU 19 -8.335 9.582 -0.889 609 HG LEU 19 HG LEU 19 -7.948 9.131 1.990 610 1HD1 LEU 19 1HD1 LEU 19 -10.630 8.790 0.634 611 2HD1 LEU 19 3HD1 LEU 19 -10.201 8.032 2.166 612 3HD1 LEU 19 2HD1 LEU 19 -10.271 9.792 2.036 613 1HD2 LEU 19 1HD2 LEU 19 -8.484 7.529 -0.518 614 2HD2 LEU 19 3HD2 LEU 19 -7.098 7.445 0.564 615 3HD2 LEU 19 2HD2 LEU 19 -8.644 6.768 1.063 616 HA PRO 20 HA PRO 20 -6.877 14.385 2.642 617 1HB PRO 20 2HB PRO 20 -8.970 16.029 2.014 618 2HB PRO 20 1HB PRO 20 -7.454 15.949 1.096 619 1HG PRO 20 2HG PRO 20 -10.083 14.672 0.518 620 2HG PRO 20 1HG PRO 20 -8.947 15.460 -0.587 621 1HD PRO 20 1HD PRO 20 -9.142 12.765 -0.350 622 2HD PRO 20 2HD PRO 20 -7.623 13.594 -0.770 623 H ASN 21 H ASN 21 -10.219 13.055 2.393 624 HA ASN 21 HA ASN 21 -10.833 14.074 5.125 625 1HB ASN 21 2HB ASN 21 -12.409 12.485 3.106 626 2HB ASN 21 1HB ASN 21 -13.059 13.081 4.616 627 1HD2 ASN 21 1HD2 ASN 21 -14.414 13.941 2.489 628 2HD2 ASN 21 2HD2 ASN 21 -14.045 15.555 2.101 629 H LEU 22 H LEU 22 -9.009 11.517 4.323 630 HA LEU 22 HA LEU 22 -10.420 9.556 6.071 631 1HB LEU 22 2HB LEU 22 -9.506 9.294 3.614 632 2HB LEU 22 1HB LEU 22 -8.000 8.982 4.456 633 HG LEU 22 HG LEU 22 -9.314 7.295 5.848 634 1HD1 LEU 22 3HD1 LEU 22 -11.499 8.342 4.585 635 2HD1 LEU 22 2HD1 LEU 22 -11.163 6.947 3.560 636 3HD1 LEU 22 1HD1 LEU 22 -11.453 6.724 5.285 637 1HD2 LEU 22 2HD2 LEU 22 -7.883 7.122 3.486 638 2HD2 LEU 22 1HD2 LEU 22 -8.369 5.763 4.493 639 3HD2 LEU 22 3HD2 LEU 22 -9.361 6.233 3.119 640 H ASN 23 H ASN 23 -9.201 8.331 7.548 641 HA ASN 23 HA ASN 23 -6.687 9.649 8.556 642 1HB ASN 23 2HB ASN 23 -7.418 9.108 10.836 643 2HB ASN 23 1HB ASN 23 -8.643 10.064 10.013 644 1HD2 ASN 23 1HD2 ASN 23 -9.438 8.576 12.237 645 2HD2 ASN 23 2HD2 ASN 23 -10.383 7.256 11.742 646 H ASP 24 H ASP 24 -5.251 8.097 9.809 647 HA ASP 24 HA ASP 24 -4.283 6.071 8.238 648 1HB ASP 24 2HB ASP 24 -2.979 5.349 10.173 649 2HB ASP 24 1HB ASP 24 -3.078 7.099 10.072 650 HA PRO 25 HA PRO 25 -6.587 2.505 10.536 651 1HB PRO 25 2HB PRO 25 -9.170 3.004 11.311 652 2HB PRO 25 1HB PRO 25 -7.775 3.140 12.399 653 1HG PRO 25 2HG PRO 25 -9.222 5.278 10.905 654 2HG PRO 25 1HG PRO 25 -8.641 5.270 12.579 655 1HD PRO 25 1HD PRO 25 -7.304 6.535 10.637 656 2HD PRO 25 2HD PRO 25 -6.473 5.728 11.974 657 H GLN 26 H GLN 26 -8.597 4.853 8.667 658 HA GLN 26 HA GLN 26 -10.154 2.832 7.285 659 1HB GLN 26 2HB GLN 26 -9.484 5.663 6.437 660 2HB GLN 26 1HB GLN 26 -10.872 4.719 5.916 661 1HG GLN 26 2HG GLN 26 -10.406 5.354 8.828 662 2HG GLN 26 1HG GLN 26 -11.237 6.480 7.772 663 1HE2 GLN 26 1HE2 GLN 26 -13.285 6.283 8.671 664 2HE2 GLN 26 2HE2 GLN 26 -14.193 4.848 8.663 665 H LYS 27 H LYS 27 -7.444 4.921 6.115 666 HA LYS 27 HA LYS 27 -7.075 3.736 3.582 667 1HB LYS 27 2HB LYS 27 -4.603 4.426 3.951 668 2HB LYS 27 1HB LYS 27 -5.839 5.674 3.916 669 1HG LYS 27 2HG LYS 27 -5.799 5.306 6.555 670 2HG LYS 27 1HG LYS 27 -4.201 4.674 6.211 671 1HD LYS 27 2HD LYS 27 -3.945 7.026 6.647 672 2HD LYS 27 1HD LYS 27 -3.733 6.791 4.917 673 1HE LYS 27 2HE LYS 27 -6.307 7.302 4.769 674 2HE LYS 27 1HE LYS 27 -6.074 8.023 6.368 675 1HZ LYS 27 3HZ LYS 27 -4.461 8.661 3.952 676 2HZ LYS 27 2HZ LYS 27 -5.689 9.640 4.598 677 3HZ LYS 27 1HZ LYS 27 -4.269 9.358 5.489 678 H LYS 28 H LYS 28 -5.771 2.688 6.706 679 HA LYS 28 HA LYS 28 -4.093 0.552 5.802 680 1HB LYS 28 2HB LYS 28 -5.641 1.307 8.277 681 2HB LYS 28 1HB LYS 28 -5.154 -0.379 8.169 682 1HG LYS 28 2HG LYS 28 -3.019 1.474 7.482 683 2HG LYS 28 1HG LYS 28 -3.594 1.693 9.119 684 1HD LYS 28 2HD LYS 28 -2.931 -0.417 9.782 685 2HD LYS 28 1HD LYS 28 -3.145 -1.103 8.171 686 1HE LYS 28 2HE LYS 28 -1.072 -0.291 7.403 687 2HE LYS 28 1HE LYS 28 -0.963 0.916 8.694 688 1HZ LYS 28 1HZ LYS 28 -1.040 -2.004 9.242 689 2HZ LYS 28 3HZ LYS 28 0.411 -1.155 9.029 690 3HZ LYS 28 2HZ LYS 28 -0.626 -0.751 10.312 691 H ALA 29 H ALA 29 -7.577 0.645 6.714 692 HA ALA 29 HA ALA 29 -8.265 -2.080 6.465 693 1HB ALA 29 2HB ALA 29 -10.507 -1.280 6.496 694 2HB ALA 29 1HB ALA 29 -9.573 -0.075 7.381 695 3HB ALA 29 3HB ALA 29 -10.059 0.235 5.714 696 H PHE 30 H PHE 30 -8.607 0.439 3.835 697 HA PHE 30 HA PHE 30 -9.356 -1.704 1.976 698 1HB PHE 30 2HB PHE 30 -8.523 0.639 0.521 699 2HB PHE 30 1HB PHE 30 -10.090 -0.121 0.591 700 HD1 PHE 30 HD1 PHE 30 -7.876 2.288 2.279 701 HD2 PHE 30 HD2 PHE 30 -11.896 0.918 1.734 702 HE1 PHE 30 HE1 PHE 30 -8.745 4.343 3.366 703 HE2 PHE 30 HE2 PHE 30 -12.754 2.949 2.831 704 HZ PHE 30 HZ PHE 30 -11.177 4.674 3.653 705 H ILE 31 H ILE 31 -6.288 0.088 2.638 706 HA ILE 31 HA ILE 31 -4.890 -0.915 0.349 707 HB ILE 31 HB ILE 31 -4.038 0.024 3.066 708 1HG1 ILE 31 2HG1 ILE 31 -4.258 1.047 0.305 709 2HG1 ILE 31 1HG1 ILE 31 -4.173 1.943 1.828 710 1HG2 ILE 31 3HG2 ILE 31 -2.535 -1.961 2.173 711 2HG2 ILE 31 2HG2 ILE 31 -2.002 -0.787 0.954 712 3HG2 ILE 31 1HG2 ILE 31 -1.739 -0.472 2.666 713 1HD1 ILE 31 3HD1 ILE 31 -1.767 0.623 0.624 714 2HD1 ILE 31 2HD1 ILE 31 -2.278 2.224 0.144 715 3HD1 ILE 31 1HD1 ILE 31 -1.838 1.912 1.834 716 H PHE 32 H PHE 32 -5.230 -2.258 3.643 717 HA PHE 32 HA PHE 32 -3.652 -4.588 3.232 718 1HB PHE 32 2HB PHE 32 -5.760 -3.663 5.155 719 2HB PHE 32 1HB PHE 32 -5.322 -5.372 5.181 720 HD1 PHE 32 HD1 PHE 32 -3.629 -5.970 6.748 721 HD2 PHE 32 HD2 PHE 32 -3.404 -2.025 4.824 722 HE1 PHE 32 HE1 PHE 32 -1.530 -5.467 7.885 723 HE2 PHE 32 HE2 PHE 32 -1.326 -1.624 6.031 724 HZ PHE 32 HZ PHE 32 -0.385 -3.364 7.497 725 H SER 33 H SER 33 -7.165 -4.029 2.629 726 HA SER 33 HA SER 33 -7.604 -6.758 1.637 727 1HB SER 33 2HB SER 33 -9.807 -5.845 0.982 728 2HB SER 33 1HB SER 33 -9.401 -5.384 2.628 729 HG SER 33 HG SER 33 -10.211 -3.656 1.302 730 H LEU 34 H LEU 34 -6.608 -3.663 0.204 731 HA LEU 34 HA LEU 34 -6.950 -4.207 -2.607 732 1HB LEU 34 2HB LEU 34 -6.398 -1.993 -1.559 733 2HB LEU 34 1HB LEU 34 -4.823 -2.600 -1.117 734 HG LEU 34 HG LEU 34 -4.582 -3.048 -3.671 735 1HD1 LEU 34 2HD1 LEU 34 -7.034 -1.355 -3.504 736 2HD1 LEU 34 1HD1 LEU 34 -5.884 -1.006 -4.795 737 3HD1 LEU 34 3HD1 LEU 34 -6.607 -2.610 -4.670 738 1HD2 LEU 34 1HD2 LEU 34 -3.728 -1.026 -1.999 739 2HD2 LEU 34 3HD2 LEU 34 -3.248 -1.176 -3.691 740 3HD2 LEU 34 2HD2 LEU 34 -4.583 -0.119 -3.246 741 H TRP 35 H TRP 35 -4.335 -4.836 -0.299 742 HA TRP 35 HA TRP 35 -2.457 -6.065 -2.092 743 1HB TRP 35 2HB TRP 35 -2.066 -5.110 0.184 744 2HB TRP 35 1HB TRP 35 -2.888 -6.516 0.864 745 HD1 TRP 35 HD1 TRP 35 -1.482 -8.669 1.135 746 HE1 TRP 35 HE1 TRP 35 0.844 -9.394 0.369 747 HE3 TRP 35 HE3 TRP 35 -0.302 -4.756 -1.885 748 HZ2 TRP 35 HZ2 TRP 35 2.957 -8.422 -1.273 749 HZ3 TRP 35 HZ3 TRP 35 1.873 -4.694 -3.050 750 HH2 TRP 35 HH2 TRP 35 3.492 -6.500 -2.743 751 H ASP 36 H ASP 36 -5.008 -7.439 0.070 752 HA ASP 36 HA ASP 36 -4.472 -10.214 -0.442 753 1HB ASP 36 2HB ASP 36 -6.897 -8.651 0.496 754 2HB ASP 36 1HB ASP 36 -6.922 -10.405 0.362 755 H ASP 37 H ASP 37 -6.870 -7.948 -1.870 756 HA ASP 37 HA ASP 37 -6.916 -9.671 -4.276 757 1HB ASP 37 2HB ASP 37 -9.285 -8.737 -2.623 758 2HB ASP 37 1HB ASP 37 -9.451 -9.373 -4.258 759 HA PRO 38 HA PRO 38 -6.560 -5.237 -5.481 760 1HB PRO 38 2HB PRO 38 -4.952 -5.656 -7.633 761 2HB PRO 38 1HB PRO 38 -4.345 -5.429 -5.984 762 1HG PRO 38 2HG PRO 38 -4.743 -7.964 -7.514 763 2HG PRO 38 1HG PRO 38 -3.409 -7.497 -6.449 764 1HD PRO 38 1HD PRO 38 -5.398 -9.158 -5.656 765 2HD PRO 38 2HD PRO 38 -4.559 -8.057 -4.537 766 H SER 39 H SER 39 -7.991 -8.047 -6.799 767 HA SER 39 HA SER 39 -8.790 -7.184 -9.435 768 1HB SER 39 2HB SER 39 -9.103 -9.403 -7.831 769 2HB SER 39 1HB SER 39 -10.721 -8.714 -7.775 770 HG SER 39 HG SER 39 -10.549 -10.081 -9.553 771 H GLN 40 H GLN 40 -9.918 -6.548 -6.147 772 HA GLN 40 HA GLN 40 -12.261 -4.906 -6.958 773 1HB GLN 40 2HB GLN 40 -11.106 -5.106 -4.175 774 2HB GLN 40 1HB GLN 40 -12.789 -4.949 -4.653 775 1HG GLN 40 2HG GLN 40 -12.614 -7.305 -5.595 776 2HG GLN 40 1HG GLN 40 -11.035 -7.398 -4.813 777 1HE2 GLN 40 1HE2 GLN 40 -14.191 -8.259 -4.296 778 2HE2 GLN 40 2HE2 GLN 40 -14.213 -8.220 -2.599 779 H SER 41 H SER 41 -9.064 -4.258 -7.190 780 HA SER 41 HA SER 41 -8.300 -2.108 -5.602 781 1HB SER 41 2HB SER 41 -6.919 -3.302 -7.171 782 2HB SER 41 1HB SER 41 -7.831 -2.647 -8.526 783 HG SER 41 HG SER 41 -6.671 -0.913 -8.389 784 H ALA 42 H ALA 42 -10.220 -1.926 -8.656 785 HA ALA 42 HA ALA 42 -10.399 0.956 -8.762 786 1HB ALA 42 2HB ALA 42 -12.260 -1.238 -9.766 787 2HB ALA 42 1HB ALA 42 -12.321 0.447 -10.285 788 3HB ALA 42 3HB ALA 42 -10.909 -0.540 -10.661 789 H ASN 43 H ASN 43 -12.534 -1.568 -7.373 790 HA ASN 43 HA ASN 43 -14.492 0.207 -6.250 791 1HB ASN 43 2HB ASN 43 -14.741 -2.249 -6.757 792 2HB ASN 43 1HB ASN 43 -13.682 -2.588 -5.387 793 1HD2 ASN 43 1HD2 ASN 43 -16.805 -0.960 -6.183 794 2HD2 ASN 43 2HD2 ASN 43 -17.494 -1.219 -4.653 795 H LEU 44 H LEU 44 -11.342 -0.998 -5.120 796 HA LEU 44 HA LEU 44 -11.640 -0.342 -2.320 797 1HB LEU 44 2HB LEU 44 -9.541 -1.126 -4.265 798 2HB LEU 44 1HB LEU 44 -8.974 -0.336 -2.796 799 HG LEU 44 HG LEU 44 -11.050 -2.434 -2.473 800 1HD1 LEU 44 2HD1 LEU 44 -8.513 -2.922 -3.828 801 2HD1 LEU 44 1HD1 LEU 44 -8.635 -3.829 -2.317 802 3HD1 LEU 44 3HD1 LEU 44 -9.868 -4.025 -3.562 803 1HD2 LEU 44 2HD2 LEU 44 -8.896 -1.057 -0.987 804 2HD2 LEU 44 1HD2 LEU 44 -10.432 -1.722 -0.410 805 3HD2 LEU 44 3HD2 LEU 44 -9.044 -2.788 -0.642 806 H LEU 45 H LEU 45 -10.025 1.300 -4.970 807 HA LEU 45 HA LEU 45 -9.220 3.685 -3.643 808 1HB LEU 45 2HB LEU 45 -9.022 2.585 -6.174 809 2HB LEU 45 1HB LEU 45 -10.113 3.942 -6.448 810 HG LEU 45 HG LEU 45 -7.387 4.079 -5.139 811 1HD1 LEU 45 1HD1 LEU 45 -7.880 3.840 -7.774 812 2HD1 LEU 45 3HD1 LEU 45 -8.087 5.585 -7.607 813 3HD1 LEU 45 2HD1 LEU 45 -6.566 4.826 -7.138 814 1HD2 LEU 45 3HD2 LEU 45 -9.683 5.944 -5.256 815 2HD2 LEU 45 2HD2 LEU 45 -8.338 5.880 -4.120 816 3HD2 LEU 45 1HD2 LEU 45 -8.128 6.652 -5.691 817 H ALA 46 H ALA 46 -12.224 2.778 -5.330 818 HA ALA 46 HA ALA 46 -13.622 5.286 -5.037 819 1HB ALA 46 3HB ALA 46 -14.269 3.516 -6.611 820 2HB ALA 46 2HB ALA 46 -14.522 2.396 -5.273 821 3HB ALA 46 1HB ALA 46 -15.593 3.784 -5.476 822 H GLU 47 H GLU 47 -13.484 2.275 -3.086 823 HA GLU 47 HA GLU 47 -15.303 2.956 -1.015 824 1HB GLU 47 2HB GLU 47 -14.240 0.706 -1.507 825 2HB GLU 47 1HB GLU 47 -12.735 1.327 -0.822 826 1HG GLU 47 2HG GLU 47 -13.997 0.037 0.863 827 2HG GLU 47 1HG GLU 47 -13.884 1.732 1.332 828 H ALA 48 H ALA 48 -11.881 3.711 -1.512 829 HA ALA 48 HA ALA 48 -11.290 4.859 1.061 830 1HB ALA 48 2HB ALA 48 -9.275 4.750 0.005 831 2HB ALA 48 3HB ALA 48 -9.750 6.134 -0.976 832 3HB ALA 48 1HB ALA 48 -10.067 4.483 -1.555 833 H LYS 49 H LYS 49 -12.283 6.316 -2.057 834 HA LYS 49 HA LYS 49 -12.552 9.037 -1.139 835 1HB LYS 49 2HB LYS 49 -13.866 7.470 -3.394 836 2HB LYS 49 1HB LYS 49 -13.910 9.227 -3.252 837 1HG LYS 49 2HG LYS 49 -11.448 9.311 -3.362 838 2HG LYS 49 1HG LYS 49 -11.386 7.553 -3.484 839 1HD LYS 49 2HD LYS 49 -12.823 7.747 -5.564 840 2HD LYS 49 1HD LYS 49 -12.578 9.491 -5.483 841 1HE LYS 49 2HE LYS 49 -10.494 9.317 -6.376 842 2HE LYS 49 1HE LYS 49 -10.046 8.039 -5.231 843 1HZ LYS 49 2HZ LYS 49 -11.324 6.455 -6.562 844 2HZ LYS 49 1HZ LYS 49 -11.705 7.680 -7.679 845 3HZ LYS 49 3HZ LYS 49 -10.098 7.175 -7.489 846 H LYS 50 H LYS 50 -14.948 6.375 -1.461 847 HA LYS 50 HA LYS 50 -17.271 7.827 -0.587 848 1HB LYS 50 2HB LYS 50 -16.452 4.907 -0.550 849 2HB LYS 50 1HB LYS 50 -18.066 5.441 -0.081 850 1HG LYS 50 2HG LYS 50 -18.595 6.183 -2.243 851 2HG LYS 50 1HG LYS 50 -16.904 6.321 -2.718 852 1HD LYS 50 2HD LYS 50 -17.800 4.370 -3.818 853 2HD LYS 50 1HD LYS 50 -16.728 3.807 -2.539 854 1HE LYS 50 2HE LYS 50 -19.446 4.159 -1.530 855 2HE LYS 50 1HE LYS 50 -19.406 3.041 -2.906 856 1HZ LYS 50 1HZ LYS 50 -17.539 1.882 -1.848 857 2HZ LYS 50 3HZ LYS 50 -17.639 2.921 -0.511 858 3HZ LYS 50 2HZ LYS 50 -18.919 1.860 -0.857 859 H LEU 51 H LEU 51 -14.889 5.862 1.225 860 HA LEU 51 HA LEU 51 -16.156 6.117 3.804 861 1HB LEU 51 2HB LEU 51 -14.532 4.364 3.045 862 2HB LEU 51 1HB LEU 51 -13.251 5.570 3.067 863 HG LEU 51 HG LEU 51 -13.256 5.701 5.424 864 1HD1 LEU 51 3HD1 LEU 51 -16.090 4.689 5.219 865 2HD1 LEU 51 2HD1 LEU 51 -15.194 4.502 6.726 866 3HD1 LEU 51 1HD1 LEU 51 -15.480 6.112 6.067 867 1HD2 LEU 51 1HD2 LEU 51 -13.678 2.963 4.330 868 2HD2 LEU 51 3HD2 LEU 51 -12.318 3.615 5.244 869 3HD2 LEU 51 2HD2 LEU 51 -13.786 3.120 6.084 870 H ASN 52 H ASN 52 -13.720 8.114 2.093 871 HA ASN 52 HA ASN 52 -12.968 9.816 4.273 872 1HB ASN 52 2HB ASN 52 -11.690 10.707 2.632 873 2HB ASN 52 1HB ASN 52 -12.319 9.444 1.610 874 1HD2 ASN 52 1HD2 ASN 52 -11.399 12.256 0.948 875 2HD2 ASN 52 2HD2 ASN 52 -12.704 12.982 0.146 876 H ASP 53 H ASP 53 -15.791 9.804 2.115 877 HA ASP 53 HA ASP 53 -16.801 12.413 2.702 878 1HB ASP 53 2HB ASP 53 -17.384 10.801 0.811 879 2HB ASP 53 1HB ASP 53 -18.381 9.928 1.974 880 H ALA 54 H ALA 54 -17.212 9.254 4.304 881 HA ALA 54 HA ALA 54 -19.424 9.931 6.020 882 1HB ALA 54 1HB ALA 54 -18.282 7.678 5.358 883 2HB ALA 54 3HB ALA 54 -17.198 8.014 6.710 884 3HB ALA 54 2HB ALA 54 -18.930 7.837 6.994 885 H GLN 55 H GLN 55 -15.908 10.320 6.367 886 HA GLN 55 HA GLN 55 -16.084 11.315 9.140 887 1HB GLN 55 2HB GLN 55 -13.918 10.881 7.068 888 2HB GLN 55 1HB GLN 55 -13.565 11.547 8.652 889 1HG GLN 55 2HG GLN 55 -14.372 9.564 9.764 890 2HG GLN 55 1HG GLN 55 -15.012 8.918 8.251 891 1HE2 GLN 55 1HE2 GLN 55 -13.011 9.181 6.449 892 2HE2 GLN 55 2HE2 GLN 55 -11.602 8.380 6.966 893 H ALA 56 H ALA 56 -15.579 12.619 5.856 894 HA ALA 56 HA ALA 56 -16.124 15.378 6.845 895 1HB ALA 56 1HB ALA 56 -13.585 14.210 5.973 896 2HB ALA 56 3HB ALA 56 -14.004 15.673 5.081 897 3HB ALA 56 2HB ALA 56 -13.876 15.720 6.841 898 HA PRO 57 HA PRO 57 -18.295 15.498 2.958 899 1HB PRO 57 2HB PRO 57 -18.379 18.192 2.490 900 2HB PRO 57 1HB PRO 57 -19.379 17.394 3.722 901 1HG PRO 57 2HG PRO 57 -16.851 18.925 4.034 902 2HG PRO 57 1HG PRO 57 -18.292 18.910 5.061 903 1HD PRO 57 1HD PRO 57 -15.997 17.554 5.651 904 2HD PRO 57 2HD PRO 57 -17.607 17.045 6.206 905 H LYS 58 H LYS 58 -17.743 15.469 0.762 906 HA LYS 58 HA LYS 58 -14.943 15.742 0.007 907 1HB LYS 58 2HB LYS 58 -17.524 15.215 -1.494 908 2HB LYS 58 1HB LYS 58 -15.960 15.267 -2.306 909 1HG LYS 58 2HG LYS 58 -15.132 13.480 -0.784 910 2HG LYS 58 1HG LYS 58 -16.729 13.398 -0.042 911 1HD LYS 58 2HD LYS 58 -17.690 12.903 -2.316 912 2HD LYS 58 1HD LYS 58 -16.042 12.813 -2.936 913 1HE LYS 58 2HE LYS 58 -15.916 10.653 -2.258 914 2HE LYS 58 1HE LYS 58 -16.184 11.172 -0.585 915 1HZ LYS 58 2HZ LYS 58 -18.594 11.307 -1.120 916 2HZ LYS 58 1HZ LYS 58 -18.264 10.600 -2.632 917 3HZ LYS 58 3HZ LYS 58 -17.972 9.731 -1.206 No H/Q in entry = 917 Start of MODEL 13 1 H1 VAL 1 3H VAL 1 -5.308 -11.800 4.053 2 H2 VAL 1 2H VAL 1 -6.718 -11.539 4.963 3 H3 VAL 1 1H VAL 1 -5.480 -10.373 4.950 4 HA VAL 1 HA VAL 1 -3.994 -11.805 6.153 5 HB VAL 1 HB VAL 1 -6.835 -11.640 7.237 6 1HG1 VAL 1 2HG1 VAL 1 -4.236 -12.341 8.635 7 2HG1 VAL 1 1HG1 VAL 1 -5.672 -11.784 9.497 8 3HG1 VAL 1 3HG1 VAL 1 -5.721 -13.292 8.583 9 1HG2 VAL 1 3HG2 VAL 1 -4.380 -9.875 7.405 10 2HG2 VAL 1 2HG2 VAL 1 -5.993 -9.446 6.836 11 3HG2 VAL 1 1HG2 VAL 1 -5.711 -9.729 8.554 12 H ASP 2 H ASP 2 -3.236 -13.850 5.797 13 HA ASP 2 HA ASP 2 -5.137 -16.167 5.974 14 1HB ASP 2 2HB ASP 2 -3.000 -15.630 3.875 15 2HB ASP 2 1HB ASP 2 -3.904 -17.136 4.011 16 H ASN 3 H ASN 3 -1.625 -15.439 5.627 17 HA ASN 3 HA ASN 3 -1.068 -17.239 7.948 18 1HB ASN 3 2HB ASN 3 0.771 -18.237 6.668 19 2HB ASN 3 1HB ASN 3 -0.727 -18.393 5.761 20 1HD2 ASN 3 1HD2 ASN 3 -0.912 -17.210 3.740 21 2HD2 ASN 3 2HD2 ASN 3 0.399 -16.373 3.065 22 H LYS 4 H LYS 4 1.580 -16.952 8.279 23 HA LYS 4 HA LYS 4 2.005 -14.448 9.521 24 1HB LYS 4 2HB LYS 4 3.272 -16.447 10.042 25 2HB LYS 4 1HB LYS 4 3.905 -16.534 8.400 26 1HG LYS 4 2HG LYS 4 5.145 -14.435 8.744 27 2HG LYS 4 1HG LYS 4 4.487 -14.303 10.379 28 1HD LYS 4 2HD LYS 4 5.567 -16.467 10.957 29 2HD LYS 4 1HD LYS 4 6.255 -16.537 9.335 30 1HE LYS 4 2HE LYS 4 8.029 -15.556 10.506 31 2HE LYS 4 1HE LYS 4 7.156 -14.104 9.983 32 1HZ LYS 4 2HZ LYS 4 6.731 -15.522 12.571 33 2HZ LYS 4 1HZ LYS 4 7.601 -14.077 12.382 34 3HZ LYS 4 3HZ LYS 4 5.936 -14.106 12.066 35 H PHE 5 H PHE 5 3.454 -15.499 6.393 36 HA PHE 5 HA PHE 5 4.596 -12.940 5.814 37 1HB PHE 5 2HB PHE 5 4.051 -15.414 4.170 38 2HB PHE 5 1HB PHE 5 4.919 -14.016 3.529 39 HD1 PHE 5 HD1 PHE 5 7.025 -13.222 4.671 40 HD2 PHE 5 HD2 PHE 5 5.106 -16.927 5.702 41 HE1 PHE 5 HE1 PHE 5 9.074 -13.955 5.857 42 HE2 PHE 5 HE2 PHE 5 7.158 -17.660 6.881 43 HZ PHE 5 HZ PHE 5 9.132 -16.168 6.967 44 H ASN 6 H ASN 6 1.419 -14.320 4.998 45 HA ASN 6 HA ASN 6 0.647 -12.605 2.872 46 1HB ASN 6 2HB ASN 6 -0.608 -14.566 3.760 47 2HB ASN 6 1HB ASN 6 -1.023 -13.626 5.191 48 1HD2 ASN 6 1HD2 ASN 6 -1.413 -13.612 1.605 49 2HD2 ASN 6 2HD2 ASN 6 -2.862 -12.728 1.630 50 H LYS 7 H LYS 7 0.256 -12.039 6.434 51 HA LYS 7 HA LYS 7 -0.698 -9.316 5.983 52 1HB LYS 7 2HB LYS 7 -1.543 -10.394 7.888 53 2HB LYS 7 1HB LYS 7 0.081 -10.868 8.440 54 1HG LYS 7 2HG LYS 7 0.637 -8.499 8.816 55 2HG LYS 7 1HG LYS 7 -0.951 -8.024 8.209 56 1HD LYS 7 2HD LYS 7 -2.066 -9.078 10.003 57 2HD LYS 7 1HD LYS 7 -0.591 -9.918 10.511 58 1HE LYS 7 2HE LYS 7 -0.589 -6.902 10.435 59 2HE LYS 7 1HE LYS 7 -1.362 -7.725 11.804 60 1HZ LYS 7 2HZ LYS 7 0.659 -9.032 12.118 61 2HZ LYS 7 1HZ LYS 7 1.409 -8.225 10.824 62 3HZ LYS 7 3HZ LYS 7 0.999 -7.373 12.232 63 H GLU 8 H GLU 8 2.500 -10.766 6.671 64 HA GLU 8 HA GLU 8 3.863 -8.330 7.372 65 1HB GLU 8 2HB GLU 8 4.783 -10.832 5.912 66 2HB GLU 8 1HB GLU 8 5.869 -9.511 6.331 67 1HG GLU 8 2HG GLU 8 4.281 -11.224 8.257 68 2HG GLU 8 1HG GLU 8 6.035 -11.207 8.033 69 H GLN 9 H GLN 9 3.053 -9.872 4.274 70 HA GLN 9 HA GLN 9 4.228 -7.908 2.549 71 1HB GLN 9 2HB GLN 9 1.927 -9.856 2.234 72 2HB GLN 9 1HB GLN 9 2.589 -8.915 0.906 73 1HG GLN 9 2HG GLN 9 4.695 -10.032 1.042 74 2HG GLN 9 1HG GLN 9 4.258 -10.811 2.564 75 1HE2 GLN 9 1HE2 GLN 9 3.620 -10.825 -0.947 76 2HE2 GLN 9 2HE2 GLN 9 2.826 -12.326 -0.961 77 H GLN 10 H GLN 10 1.036 -8.367 4.035 78 HA GLN 10 HA GLN 10 -0.407 -6.147 2.911 79 1HB GLN 10 2HB GLN 10 -0.794 -8.283 4.651 80 2HB GLN 10 1HB GLN 10 -1.042 -6.876 5.662 81 1HG GLN 10 2HG GLN 10 -3.093 -6.661 4.773 82 2HG GLN 10 1HG GLN 10 -2.354 -6.341 3.230 83 1HE2 GLN 10 1HE2 GLN 10 -2.583 -9.392 5.191 84 2HE2 GLN 10 2HE2 GLN 10 -3.311 -10.294 3.953 85 H ASN 11 H ASN 11 1.538 -6.433 5.892 86 HA ASN 11 HA ASN 11 1.159 -3.672 6.725 87 1HB ASN 11 2HB ASN 11 1.810 -5.798 8.089 88 2HB ASN 11 1HB ASN 11 3.448 -5.513 7.491 89 1HD2 ASN 11 1HD2 ASN 11 4.686 -3.944 8.590 90 2HD2 ASN 11 2HD2 ASN 11 4.062 -2.888 9.763 91 H ALA 12 H ALA 12 3.801 -5.478 5.085 92 HA ALA 12 HA ALA 12 5.636 -3.277 4.828 93 1HB ALA 12 2HB ALA 12 5.159 -5.905 3.425 94 2HB ALA 12 3HB ALA 12 6.527 -5.420 4.434 95 3HB ALA 12 1HB ALA 12 6.363 -4.771 2.800 96 H PHE 13 H PHE 13 3.073 -4.554 2.700 97 HA PHE 13 HA PHE 13 3.346 -2.758 0.478 98 1HB PHE 13 2HB PHE 13 1.931 -4.743 0.360 99 2HB PHE 13 1HB PHE 13 1.013 -4.241 1.773 100 HD1 PHE 13 HD1 PHE 13 -1.127 -3.529 1.279 101 HD2 PHE 13 HD2 PHE 13 2.060 -2.641 -1.431 102 HE1 PHE 13 HE1 PHE 13 -2.728 -2.420 -0.226 103 HE2 PHE 13 HE2 PHE 13 0.466 -1.518 -2.946 104 HZ PHE 13 HZ PHE 13 -1.933 -1.414 -2.334 105 H TYR 14 H TYR 14 1.179 -2.711 3.280 106 HA TYR 14 HA TYR 14 -0.062 -0.218 3.054 107 1HB TYR 14 2HB TYR 14 -0.563 -2.022 4.624 108 2HB TYR 14 1HB TYR 14 0.962 -1.753 5.458 109 HD1 TYR 14 HD1 TYR 14 -2.230 -0.081 4.503 110 HD2 TYR 14 HD2 TYR 14 1.123 -0.186 7.174 111 HE1 TYR 14 HE1 TYR 14 -3.331 1.544 5.915 112 HE2 TYR 14 HE2 TYR 14 0.031 1.508 8.606 113 HH TYR 14 HH TYR 14 -1.810 3.405 8.118 114 H GLU 15 H GLU 15 2.935 -0.956 4.906 115 HA GLU 15 HA GLU 15 3.574 1.742 5.597 116 1HB GLU 15 2HB GLU 15 5.215 -0.790 5.323 117 2HB GLU 15 1HB GLU 15 5.847 0.705 6.008 118 1HG GLU 15 2HG GLU 15 3.434 -0.812 7.065 119 2HG GLU 15 1HG GLU 15 5.040 -0.833 7.783 120 H ILE 16 H ILE 16 4.661 -0.284 2.775 121 HA ILE 16 HA ILE 16 6.480 1.577 1.588 122 HB ILE 16 HB ILE 16 4.720 -0.675 0.680 123 1HG1 ILE 16 2HG1 ILE 16 7.444 -0.367 -0.381 124 2HG1 ILE 16 1HG1 ILE 16 7.372 -0.319 1.377 125 1HG2 ILE 16 3HG2 ILE 16 5.913 1.279 -1.303 126 2HG2 ILE 16 2HG2 ILE 16 5.361 -0.349 -1.721 127 3HG2 ILE 16 1HG2 ILE 16 4.209 0.852 -1.130 128 1HD1 ILE 16 2HD1 ILE 16 5.757 -2.426 0.052 129 2HD1 ILE 16 1HD1 ILE 16 7.527 -2.617 -0.012 130 3HD1 ILE 16 3HD1 ILE 16 6.704 -2.486 1.546 131 H LEU 17 H LEU 17 2.959 1.310 1.296 132 HA LEU 17 HA LEU 17 2.541 3.611 -0.430 133 1HB LEU 17 2HB LEU 17 0.729 2.160 1.532 134 2HB LEU 17 1HB LEU 17 0.177 3.269 0.284 135 HG LEU 17 HG LEU 17 1.950 1.118 -0.668 136 1HD1 LEU 17 2HD1 LEU 17 0.082 0.295 1.119 137 2HD1 LEU 17 1HD1 LEU 17 -0.859 0.320 -0.386 138 3HD1 LEU 17 3HD1 LEU 17 0.606 -0.642 -0.275 139 1HD2 LEU 17 2HD2 LEU 17 0.518 2.886 -1.962 140 2HD2 LEU 17 1HD2 LEU 17 0.615 1.209 -2.542 141 3HD2 LEU 17 3HD2 LEU 17 -0.797 1.723 -1.601 142 H HIS 18 H HIS 18 2.443 3.189 3.148 143 HA HIS 18 HA HIS 18 1.528 5.907 3.667 144 1HB HIS 18 2HB HIS 18 2.581 3.615 5.328 145 2HB HIS 18 1HB HIS 18 2.317 5.194 6.053 146 HD1 HIS 18 HD1 HIS 18 -0.212 6.144 5.967 147 HD2 HIS 18 HD2 HIS 18 0.233 2.131 4.955 148 HE1 HIS 18 HE1 HIS 18 -2.527 5.023 5.963 149 H LEU 19 H LEU 19 4.751 4.493 3.190 150 HA LEU 19 HA LEU 19 6.392 6.178 4.750 151 1HB LEU 19 2HB LEU 19 6.731 4.835 2.067 152 2HB LEU 19 1HB LEU 19 8.029 5.819 2.733 153 HG LEU 19 HG LEU 19 6.748 3.480 4.186 154 1HD1 LEU 19 1HD1 LEU 19 9.289 3.692 2.557 155 2HD1 LEU 19 3HD1 LEU 19 8.953 2.361 3.664 156 3HD1 LEU 19 2HD1 LEU 19 7.919 2.622 2.262 157 1HD2 LEU 19 3HD2 LEU 19 8.040 5.484 5.398 158 2HD2 LEU 19 2HD2 LEU 19 8.281 3.810 5.903 159 3HD2 LEU 19 1HD2 LEU 19 9.451 4.587 4.839 160 HA PRO 20 HA PRO 20 5.409 10.147 2.987 161 1HB PRO 20 2HB PRO 20 7.274 11.612 4.351 162 2HB PRO 20 1HB PRO 20 5.768 11.020 5.082 163 1HG PRO 20 2HG PRO 20 8.527 9.916 5.271 164 2HG PRO 20 1HG PRO 20 7.281 10.063 6.521 165 1HD PRO 20 1HD PRO 20 7.835 7.733 5.238 166 2HD PRO 20 2HD PRO 20 6.228 8.131 5.888 167 H ASN 21 H ASN 21 8.514 8.549 2.537 168 HA ASN 21 HA ASN 21 9.257 10.666 0.541 169 1HB ASN 21 2HB ASN 21 10.947 8.852 2.263 170 2HB ASN 21 1HB ASN 21 11.597 9.980 1.083 171 1HD2 ASN 21 1HD2 ASN 21 11.084 12.326 1.493 172 2HD2 ASN 21 2HD2 ASN 21 10.855 12.844 3.089 173 H LEU 22 H LEU 22 7.804 7.750 0.441 174 HA LEU 22 HA LEU 22 9.584 6.475 -1.554 175 1HB LEU 22 2HB LEU 22 7.107 5.726 -0.033 176 2HB LEU 22 1HB LEU 22 7.393 4.917 -1.566 177 HG LEU 22 HG LEU 22 8.847 4.654 1.018 178 1HD1 LEU 22 1HD1 LEU 22 8.188 2.901 -1.350 179 2HD1 LEU 22 3HD1 LEU 22 9.225 2.345 -0.031 180 3HD1 LEU 22 2HD1 LEU 22 7.546 2.796 0.290 181 1HD2 LEU 22 1HD2 LEU 22 10.275 4.512 -1.658 182 2HD2 LEU 22 3HD2 LEU 22 10.659 5.597 -0.306 183 3HD2 LEU 22 2HD2 LEU 22 10.911 3.854 -0.148 184 H ASN 23 H ASN 23 9.319 6.655 -3.680 185 HA ASN 23 HA ASN 23 7.017 8.274 -4.704 186 1HB ASN 23 2HB ASN 23 8.536 8.480 -6.747 187 2HB ASN 23 1HB ASN 23 9.130 9.233 -5.284 188 1HD2 ASN 23 1HD2 ASN 23 11.210 8.568 -4.557 189 2HD2 ASN 23 2HD2 ASN 23 12.056 7.247 -5.203 190 H GLU 24 H GLU 24 6.775 7.540 -7.254 191 HA GLU 24 HA GLU 24 5.366 5.022 -7.151 192 1HB GLU 24 2HB GLU 24 6.336 6.829 -9.397 193 2HB GLU 24 1HB GLU 24 5.385 5.381 -9.712 194 1HG GLU 24 2HG GLU 24 3.664 6.294 -8.081 195 2HG GLU 24 1HG GLU 24 4.568 7.808 -8.099 196 H GLU 25 H GLU 25 8.649 5.855 -8.388 197 HA GLU 25 HA GLU 25 9.207 3.316 -9.603 198 1HB GLU 25 2HB GLU 25 10.505 5.450 -9.862 199 2HB GLU 25 1HB GLU 25 11.108 5.244 -8.220 200 1HG GLU 25 2HG GLU 25 12.105 3.063 -8.875 201 2HG GLU 25 1HG GLU 25 11.546 3.324 -10.527 202 H GLN 26 H GLN 26 9.872 4.503 -6.272 203 HA GLN 26 HA GLN 26 10.936 1.926 -5.377 204 1HB GLN 26 2HB GLN 26 10.029 4.370 -3.831 205 2HB GLN 26 1HB GLN 26 10.990 3.048 -3.181 206 1HG GLN 26 2HG GLN 26 11.794 5.089 -5.267 207 2HG GLN 26 1HG GLN 26 12.559 4.763 -3.717 208 1HE2 GLN 26 1HE2 GLN 26 13.327 4.474 -6.823 209 2HE2 GLN 26 2HE2 GLN 26 14.147 2.989 -6.831 210 H ARG 27 H ARG 27 7.945 3.722 -4.477 211 HA ARG 27 HA ARG 27 6.762 1.721 -2.859 212 1HB ARG 27 2HB ARG 27 5.992 4.048 -3.020 213 2HB ARG 27 1HB ARG 27 5.514 3.798 -4.693 214 1HG ARG 27 2HG ARG 27 4.149 1.798 -3.398 215 2HG ARG 27 1HG ARG 27 4.093 3.107 -2.227 216 1HD ARG 27 2HD ARG 27 3.104 3.144 -5.093 217 2HD ARG 27 1HD ARG 27 2.163 3.413 -3.620 218 HE ARG 27 HE ARG 27 3.887 5.417 -3.343 219 1HH1 ARG 27 1HH1 ARG 27 4.676 7.085 -4.718 220 2HH1 ARG 27 2HH1 ARG 27 3.804 7.413 -6.175 221 1HH2 ARG 27 1HH2 ARG 27 1.740 4.626 -5.913 222 2HH2 ARG 27 2HH2 ARG 27 2.144 6.016 -6.856 223 H ASN 28 H ASN 28 6.150 2.335 -6.384 224 HA ASN 28 HA ASN 28 4.250 0.190 -6.712 225 1HB ASN 28 2HB ASN 28 6.046 1.428 -8.796 226 2HB ASN 28 1HB ASN 28 4.539 0.607 -9.101 227 1HD2 ASN 28 1HD2 ASN 28 4.553 3.044 -10.195 228 2HD2 ASN 28 2HD2 ASN 28 3.706 4.186 -9.268 229 H ALA 29 H ALA 29 7.792 0.384 -7.325 230 HA ALA 29 HA ALA 29 8.159 -2.263 -8.390 231 1HB ALA 29 2HB ALA 29 9.815 -0.428 -8.388 232 2HB ALA 29 3HB ALA 29 10.475 -1.897 -7.663 233 3HB ALA 29 1HB ALA 29 9.943 -0.570 -6.631 234 H PHE 30 H PHE 30 8.068 -0.999 -5.065 235 HA PHE 30 HA PHE 30 8.826 -3.389 -3.685 236 1HB PHE 30 2HB PHE 30 7.252 -0.899 -3.045 237 2HB PHE 30 1HB PHE 30 7.415 -2.186 -1.850 238 HD1 PHE 30 HD1 PHE 30 8.564 0.654 -1.633 239 HD2 PHE 30 HD2 PHE 30 10.263 -3.034 -3.029 240 HE1 PHE 30 HE1 PHE 30 10.824 1.442 -1.027 241 HE2 PHE 30 HE2 PHE 30 12.490 -2.251 -2.422 242 HZ PHE 30 HZ PHE 30 12.782 -0.060 -1.415 243 H ILE 31 H ILE 31 5.671 -2.082 -4.567 244 HA ILE 31 HA ILE 31 4.120 -4.228 -3.462 245 HB ILE 31 HB ILE 31 3.668 -2.211 -5.674 246 1HG1 ILE 31 2HG1 ILE 31 2.651 -2.253 -2.856 247 2HG1 ILE 31 1HG1 ILE 31 4.189 -1.525 -3.250 248 1HG2 ILE 31 3HG2 ILE 31 2.123 -4.478 -5.093 249 2HG2 ILE 31 2HG2 ILE 31 1.311 -3.124 -4.312 250 3HG2 ILE 31 1HG2 ILE 31 1.640 -3.078 -6.043 251 1HD1 ILE 31 1HD1 ILE 31 1.571 -0.773 -4.562 252 2HD1 ILE 31 3HD1 ILE 31 2.281 0.078 -3.167 253 3HD1 ILE 31 2HD1 ILE 31 3.147 0.060 -4.707 254 H GLN 32 H GLN 32 5.958 -3.893 -6.513 255 HA GLN 32 HA GLN 32 4.803 -6.269 -7.786 256 1HB GLN 32 2HB GLN 32 7.287 -4.583 -8.225 257 2HB GLN 32 1HB GLN 32 6.867 -5.949 -9.259 258 1HG GLN 32 2HG GLN 32 4.735 -4.914 -9.840 259 2HG GLN 32 1HG GLN 32 5.034 -3.588 -8.718 260 1HE2 GLN 32 1HE2 GLN 32 6.006 -4.963 -11.853 261 2HE2 GLN 32 2HE2 GLN 32 6.866 -3.595 -12.374 262 H SER 33 H SER 33 7.871 -5.583 -6.026 263 HA SER 33 HA SER 33 8.826 -8.326 -5.953 264 1HB SER 33 2HB SER 33 10.392 -7.322 -4.260 265 2HB SER 33 1HB SER 33 10.345 -6.480 -5.802 266 HG SER 33 HG SER 33 10.032 -4.855 -4.455 267 H LEU 34 H LEU 34 6.634 -6.494 -3.946 268 HA LEU 34 HA LEU 34 6.779 -8.240 -1.598 269 1HB LEU 34 2HB LEU 34 6.439 -5.778 -1.617 270 2HB LEU 34 1HB LEU 34 4.910 -6.004 -2.451 271 HG LEU 34 HG LEU 34 4.172 -7.389 -0.455 272 1HD1 LEU 34 3HD1 LEU 34 6.747 -6.236 0.605 273 2HD1 LEU 34 2HD1 LEU 34 5.446 -6.811 1.646 274 3HD1 LEU 34 1HD1 LEU 34 6.261 -7.930 0.553 275 1HD2 LEU 34 1HD2 LEU 34 3.650 -4.943 -0.904 276 2HD2 LEU 34 3HD2 LEU 34 3.572 -5.436 0.781 277 3HD2 LEU 34 2HD2 LEU 34 4.973 -4.551 0.194 278 H LYS 35 H LYS 35 4.242 -7.559 -4.094 279 HA LYS 35 HA LYS 35 2.398 -9.598 -3.132 280 1HB LYS 35 2HB LYS 35 2.615 -7.668 -5.350 281 2HB LYS 35 1HB LYS 35 1.759 -9.120 -5.794 282 1HG LYS 35 2HG LYS 35 0.749 -8.453 -3.280 283 2HG LYS 35 1HG LYS 35 0.858 -6.940 -4.175 284 1HD LYS 35 2HD LYS 35 -0.412 -9.443 -5.283 285 2HD LYS 35 1HD LYS 35 -1.311 -8.162 -4.478 286 1HE LYS 35 2HE LYS 35 -1.408 -7.029 -6.441 287 2HE LYS 35 1HE LYS 35 0.361 -6.910 -6.434 288 1HZ LYS 35 3HZ LYS 35 0.383 -9.253 -7.295 289 2HZ LYS 35 2HZ LYS 35 -1.295 -9.125 -7.525 290 3HZ LYS 35 1HZ LYS 35 -0.238 -8.109 -8.376 291 H ASP 36 H ASP 36 5.045 -9.625 -5.522 292 HA ASP 36 HA ASP 36 4.430 -12.367 -6.404 293 1HB ASP 36 2HB ASP 36 6.754 -10.474 -6.905 294 2HB ASP 36 1HB ASP 36 6.558 -12.029 -7.704 295 H ASP 37 H ASP 37 6.801 -10.812 -4.177 296 HA ASP 37 HA ASP 37 7.730 -13.559 -3.373 297 1HB ASP 37 2HB ASP 37 9.299 -11.744 -4.448 298 2HB ASP 37 1HB ASP 37 9.260 -11.018 -2.839 299 HA PRO 38 HA PRO 38 5.440 -12.218 0.326 300 1HB PRO 38 2HB PRO 38 5.270 -14.716 1.433 301 2HB PRO 38 1HB PRO 38 4.186 -14.140 0.149 302 1HG PRO 38 2HG PRO 38 6.609 -15.861 -0.070 303 2HG PRO 38 1HG PRO 38 5.027 -16.032 -0.854 304 1HD PRO 38 1HD PRO 38 7.151 -15.003 -2.140 305 2HD PRO 38 2HD PRO 38 5.490 -14.450 -2.446 306 H SER 39 H SER 39 8.272 -14.447 0.423 307 HA SER 39 HA SER 39 8.894 -14.026 3.204 308 1HB SER 39 2HB SER 39 10.949 -15.193 2.650 309 2HB SER 39 1HB SER 39 9.636 -15.922 1.734 310 HG SER 39 HG SER 39 10.394 -15.016 -0.089 311 H GLN 40 H GLN 40 9.873 -12.202 0.298 312 HA GLN 40 HA GLN 40 11.919 -10.638 1.703 313 1HB GLN 40 2HB GLN 40 11.697 -11.258 -0.812 314 2HB GLN 40 1HB GLN 40 10.532 -9.935 -0.897 315 1HG GLN 40 2HG GLN 40 12.283 -8.420 0.080 316 2HG GLN 40 1HG GLN 40 13.436 -9.744 -0.061 317 1HE2 GLN 40 1HE2 GLN 40 14.509 -9.914 -2.063 318 2HE2 GLN 40 2HE2 GLN 40 14.004 -9.145 -3.488 319 H SER 41 H SER 41 8.488 -10.484 1.783 320 HA SER 41 HA SER 41 7.825 -7.806 1.482 321 1HB SER 41 2HB SER 41 5.935 -8.331 2.985 322 2HB SER 41 1HB SER 41 6.263 -9.672 1.899 323 HG SER 41 HG SER 41 6.722 -10.861 3.571 324 H ALA 42 H ALA 42 8.896 -9.179 4.712 325 HA ALA 42 HA ALA 42 8.777 -6.644 6.078 326 1HB ALA 42 2HB ALA 42 10.691 -8.959 6.369 327 2HB ALA 42 3HB ALA 42 9.141 -8.783 7.203 328 3HB ALA 42 1HB ALA 42 10.467 -7.672 7.556 329 H ASN 43 H ASN 43 11.502 -8.232 4.364 330 HA ASN 43 HA ASN 43 13.494 -6.220 4.668 331 1HB ASN 43 2HB ASN 43 12.899 -8.513 2.925 332 2HB ASN 43 1HB ASN 43 13.851 -7.251 2.132 333 1HD2 ASN 43 1HD2 ASN 43 13.871 -8.528 5.540 334 2HD2 ASN 43 2HD2 ASN 43 15.534 -8.860 5.549 335 H LEU 44 H LEU 44 10.840 -6.623 2.338 336 HA LEU 44 HA LEU 44 11.512 -4.473 0.572 337 1HB LEU 44 2HB LEU 44 9.008 -5.966 1.274 338 2HB LEU 44 1HB LEU 44 8.986 -4.647 0.102 339 HG LEU 44 HG LEU 44 10.848 -7.017 -0.016 340 1HD1 LEU 44 2HD1 LEU 44 8.230 -7.176 -0.396 341 2HD1 LEU 44 1HD1 LEU 44 8.671 -6.533 -1.980 342 3HD1 LEU 44 3HD1 LEU 44 9.368 -8.056 -1.421 343 1HD2 LEU 44 2HD2 LEU 44 10.794 -4.397 -1.248 344 2HD2 LEU 44 1HD2 LEU 44 11.982 -5.702 -1.414 345 3HD2 LEU 44 3HD2 LEU 44 10.569 -5.682 -2.485 346 H LEU 45 H LEU 45 9.465 -4.640 3.487 347 HA LEU 45 HA LEU 45 8.788 -1.806 3.294 348 1HB LEU 45 2HB LEU 45 7.405 -3.225 4.595 349 2HB LEU 45 1HB LEU 45 8.769 -3.833 5.529 350 HG LEU 45 HG LEU 45 9.089 -1.705 6.587 351 1HD1 LEU 45 2HD1 LEU 45 7.050 -0.705 4.571 352 2HD1 LEU 45 1HD1 LEU 45 7.503 0.219 6.002 353 3HD1 LEU 45 3HD1 LEU 45 8.717 -0.151 4.775 354 1HD2 LEU 45 2HD2 LEU 45 7.263 -3.211 7.384 355 2HD2 LEU 45 1HD2 LEU 45 7.019 -1.514 7.806 356 3HD2 LEU 45 3HD2 LEU 45 6.116 -2.234 6.470 357 H ALA 46 H ALA 46 11.300 -3.705 5.032 358 HA ALA 46 HA ALA 46 12.626 -1.554 6.400 359 1HB ALA 46 3HB ALA 46 13.415 -4.184 5.145 360 2HB ALA 46 2HB ALA 46 14.666 -3.118 5.798 361 3HB ALA 46 1HB ALA 46 13.393 -3.735 6.858 362 H GLU 47 H GLU 47 13.206 -2.837 3.066 363 HA GLU 47 HA GLU 47 15.220 -0.859 2.466 364 1HB GLU 47 2HB GLU 47 14.993 -1.696 0.143 365 2HB GLU 47 1HB GLU 47 15.178 -3.002 1.300 366 1HG GLU 47 2HG GLU 47 12.660 -3.177 1.242 367 2HG GLU 47 1HG GLU 47 12.734 -2.124 -0.168 368 H ALA 48 H ALA 48 11.651 -1.028 2.017 369 HA ALA 48 HA ALA 48 11.427 1.407 0.506 370 1HB ALA 48 1HB ALA 48 9.737 -0.389 0.844 371 2HB ALA 48 3HB ALA 48 9.602 0.097 2.539 372 3HB ALA 48 2HB ALA 48 9.101 1.202 1.248 373 H LYS 49 H LYS 49 11.540 0.678 3.997 374 HA LYS 49 HA LYS 49 11.046 3.401 4.901 375 1HB LYS 49 2HB LYS 49 11.699 0.710 5.940 376 2HB LYS 49 1HB LYS 49 12.284 2.020 6.947 377 1HG LYS 49 2HG LYS 49 10.153 2.811 7.396 378 2HG LYS 49 1HG LYS 49 9.517 2.251 5.850 379 1HD LYS 49 2HD LYS 49 8.546 0.758 7.339 380 2HD LYS 49 1HD LYS 49 9.983 -0.125 6.811 381 1HE LYS 49 2HE LYS 49 11.192 0.537 8.796 382 2HE LYS 49 1HE LYS 49 9.877 1.625 9.280 383 1HZ LYS 49 3HZ LYS 49 9.627 -1.324 8.923 384 2HZ LYS 49 2HZ LYS 49 9.712 -0.525 10.421 385 3HZ LYS 49 1HZ LYS 49 8.379 -0.273 9.397 386 H LYS 50 H LYS 50 13.799 1.346 4.204 387 HA LYS 50 HA LYS 50 15.995 3.003 4.996 388 1HB LYS 50 2HB LYS 50 16.403 0.720 4.510 389 2HB LYS 50 1HB LYS 50 15.388 0.763 3.087 390 1HG LYS 50 2HG LYS 50 17.290 2.407 2.196 391 2HG LYS 50 1HG LYS 50 18.257 1.515 3.373 392 1HD LYS 50 2HD LYS 50 16.475 0.098 1.362 393 2HD LYS 50 1HD LYS 50 18.151 0.526 0.993 394 1HE LYS 50 2HE LYS 50 18.864 -0.746 3.062 395 2HE LYS 50 1HE LYS 50 17.184 -1.291 3.236 396 1HZ LYS 50 2HZ LYS 50 17.286 -2.133 0.942 397 2HZ LYS 50 1HZ LYS 50 18.925 -1.691 0.851 398 3HZ LYS 50 3HZ LYS 50 18.431 -2.891 1.942 399 H LEU 51 H LEU 51 13.978 2.780 2.062 400 HA LEU 51 HA LEU 51 15.425 4.764 0.492 401 1HB LEU 51 2HB LEU 51 12.965 3.111 0.374 402 2HB LEU 51 1HB LEU 51 12.878 4.620 -0.517 403 HG LEU 51 HG LEU 51 14.514 3.987 -2.024 404 1HD1 LEU 51 1HD1 LEU 51 15.570 2.305 0.228 405 2HD1 LEU 51 3HD1 LEU 51 15.988 1.883 -1.433 406 3HD1 LEU 51 2HD1 LEU 51 16.426 3.468 -0.787 407 1HD2 LEU 51 3HD2 LEU 51 12.971 1.633 -1.031 408 2HD2 LEU 51 2HD2 LEU 51 12.827 2.502 -2.558 409 3HD2 LEU 51 1HD2 LEU 51 14.177 1.393 -2.300 410 H ASN 52 H ASN 52 12.518 4.777 2.552 411 HA ASN 52 HA ASN 52 11.646 7.422 2.016 412 1HB ASN 52 2HB ASN 52 9.985 6.652 3.337 413 2HB ASN 52 1HB ASN 52 10.930 5.202 3.624 414 1HD2 ASN 52 1HD2 ASN 52 10.496 8.539 4.901 415 2HD2 ASN 52 2HD2 ASN 52 10.868 8.130 6.503 416 H ASP 53 H ASP 53 14.042 6.203 4.377 417 HA ASP 53 HA ASP 53 14.509 8.889 5.509 418 1HB ASP 53 2HB ASP 53 15.988 6.256 5.811 419 2HB ASP 53 1HB ASP 53 16.242 7.690 6.801 420 H ALA 54 H ALA 54 16.221 6.679 3.250 421 HA ALA 54 HA ALA 54 18.584 8.330 2.927 422 1HB ALA 54 1HB ALA 54 17.308 6.265 1.094 423 2HB ALA 54 3HB ALA 54 18.981 6.819 1.010 424 3HB ALA 54 2HB ALA 54 18.425 5.903 2.411 425 H GLN 55 H GLN 55 15.674 7.876 0.868 426 HA GLN 55 HA GLN 55 16.318 9.957 -1.039 427 1HB GLN 55 2HB GLN 55 13.695 8.649 -0.263 428 2HB GLN 55 1HB GLN 55 13.924 9.662 -1.682 429 1HG GLN 55 2HG GLN 55 15.670 8.080 -2.505 430 2HG GLN 55 1HG GLN 55 15.350 7.034 -1.121 431 1HE2 GLN 55 1HE2 GLN 55 12.616 6.932 -0.933 432 2HE2 GLN 55 2HE2 GLN 55 11.924 6.361 -2.374 433 H ALA 56 H ALA 56 14.807 9.972 2.152 434 HA ALA 56 HA ALA 56 13.245 12.320 2.103 435 1HB ALA 56 1HB ALA 56 14.641 10.664 4.100 436 2HB ALA 56 2HB ALA 56 13.025 11.370 4.155 437 3HB ALA 56 3HB ALA 56 14.428 12.346 4.591 438 HA PRO 57 HA PRO 57 16.038 15.659 1.711 439 1HB PRO 57 2HB PRO 57 14.636 17.604 3.034 440 2HB PRO 57 1HB PRO 57 14.195 17.010 1.422 441 1HG PRO 57 2HG PRO 57 13.044 16.294 4.075 442 2HG PRO 57 1HG PRO 57 12.227 16.576 2.529 443 1HD PRO 57 1HD PRO 57 12.723 14.097 3.514 444 2HD PRO 57 2HD PRO 57 12.640 14.448 1.774 445 H LYS 58 H LYS 58 14.865 14.807 4.962 446 HA LYS 58 HA LYS 58 17.503 15.666 6.095 447 1HB LYS 58 2HB LYS 58 15.611 17.304 6.485 448 2HB LYS 58 1HB LYS 58 14.780 16.037 7.390 449 1HG LYS 58 2HG LYS 58 16.736 15.880 8.919 450 2HG LYS 58 1HG LYS 58 17.506 17.202 8.042 451 1HD LYS 58 2HD LYS 58 15.540 18.650 8.580 452 2HD LYS 58 1HD LYS 58 14.877 17.336 9.551 453 1HE LYS 58 2HE LYS 58 17.697 18.207 10.113 454 2HE LYS 58 1HE LYS 58 16.369 19.231 10.690 455 1HZ LYS 58 2HZ LYS 58 16.616 16.298 11.163 456 2HZ LYS 58 1HZ LYS 58 16.921 17.509 12.315 457 3HZ LYS 58 3HZ LYS 58 15.350 17.290 11.716 458 H1 VAL 1 3H VAL 1 -6.164 -8.400 -19.186 459 H2 VAL 1 2H VAL 1 -5.477 -7.051 -19.949 460 H3 VAL 1 1H VAL 1 -6.668 -7.965 -20.742 461 HA VAL 1 HA VAL 1 -5.244 -9.838 -20.986 462 HB VAL 1 HB VAL 1 -3.445 -8.824 -22.376 463 1HG1 VAL 1 1HG1 VAL 1 -5.894 -8.940 -23.086 464 2HG1 VAL 1 3HG1 VAL 1 -5.982 -7.218 -22.707 465 3HG1 VAL 1 2HG1 VAL 1 -4.881 -7.791 -23.959 466 1HG2 VAL 1 2HG2 VAL 1 -2.900 -6.920 -20.824 467 2HG2 VAL 1 1HG2 VAL 1 -3.136 -6.417 -22.496 468 3HG2 VAL 1 3HG2 VAL 1 -4.409 -6.147 -21.308 469 H ASP 2 H ASP 2 -3.739 -7.363 -18.880 470 HA ASP 2 HA ASP 2 -1.372 -8.964 -18.280 471 1HB ASP 2 2HB ASP 2 -2.658 -6.542 -16.962 472 2HB ASP 2 1HB ASP 2 -1.069 -7.175 -16.534 473 H ASN 3 H ASN 3 -0.983 -10.211 -16.406 474 HA ASN 3 HA ASN 3 -3.403 -10.909 -14.786 475 1HB ASN 3 2HB ASN 3 -2.341 -13.131 -14.540 476 2HB ASN 3 1HB ASN 3 -2.505 -12.704 -16.238 477 1HD2 ASN 3 1HD2 ASN 3 -0.548 -12.409 -17.483 478 2HD2 ASN 3 2HD2 ASN 3 0.996 -12.692 -16.836 479 H LYS 4 H LYS 4 -1.616 -8.680 -14.175 480 HA LYS 4 HA LYS 4 -0.753 -9.530 -11.437 481 1HB LYS 4 2HB LYS 4 0.809 -8.041 -13.556 482 2HB LYS 4 1HB LYS 4 1.229 -7.918 -11.850 483 1HG LYS 4 2HG LYS 4 1.372 -10.427 -11.767 484 2HG LYS 4 1HG LYS 4 1.131 -10.449 -13.514 485 1HD LYS 4 2HD LYS 4 3.150 -9.084 -13.831 486 2HD LYS 4 1HD LYS 4 3.386 -9.006 -12.086 487 1HE LYS 4 2HE LYS 4 3.114 -11.739 -13.262 488 2HE LYS 4 1HE LYS 4 4.619 -10.868 -13.603 489 1HZ LYS 4 1HZ LYS 4 3.419 -11.222 -10.897 490 2HZ LYS 4 3HZ LYS 4 4.745 -12.091 -11.496 491 3HZ LYS 4 2HZ LYS 4 4.876 -10.417 -11.245 492 H PHE 5 H PHE 5 -1.688 -8.240 -9.937 493 HA PHE 5 HA PHE 5 -2.881 -5.630 -10.740 494 1HB PHE 5 2HB PHE 5 -3.334 -7.758 -8.733 495 2HB PHE 5 1HB PHE 5 -3.616 -6.124 -8.157 496 HD1 PHE 5 HD1 PHE 5 -5.115 -4.583 -9.600 497 HD2 PHE 5 HD2 PHE 5 -4.959 -8.852 -10.052 498 HE1 PHE 5 HE1 PHE 5 -7.302 -4.538 -10.763 499 HE2 PHE 5 HE2 PHE 5 -7.147 -8.806 -11.216 500 HZ PHE 5 HZ PHE 5 -8.318 -6.650 -11.571 501 H ASN 6 H ASN 6 0.156 -6.347 -9.809 502 HA ASN 6 HA ASN 6 0.627 -4.886 -7.392 503 1HB ASN 6 2HB ASN 6 2.592 -5.061 -9.681 504 2HB ASN 6 1HB ASN 6 2.928 -5.025 -7.954 505 1HD2 ASN 6 1HD2 ASN 6 3.281 -7.052 -6.979 506 2HD2 ASN 6 2HD2 ASN 6 2.871 -8.542 -7.679 507 H LYS 7 H LYS 7 0.613 -3.871 -10.772 508 HA LYS 7 HA LYS 7 1.433 -1.148 -10.439 509 1HB LYS 7 2HB LYS 7 1.168 -2.513 -12.589 510 2HB LYS 7 1HB LYS 7 -0.571 -2.233 -12.440 511 1HG LYS 7 2HG LYS 7 0.682 0.297 -12.111 512 2HG LYS 7 1HG LYS 7 1.458 -0.467 -13.496 513 1HD LYS 7 2HD LYS 7 -0.334 0.377 -14.633 514 2HD LYS 7 1HD LYS 7 -1.140 -1.069 -14.027 515 1HE LYS 7 2HE LYS 7 -1.197 1.065 -12.031 516 2HE LYS 7 1HE LYS 7 -1.934 1.586 -13.553 517 1HZ LYS 7 2HZ LYS 7 -2.530 -1.030 -12.266 518 2HZ LYS 7 1HZ LYS 7 -3.471 0.363 -12.025 519 3HZ LYS 7 3HZ LYS 7 -3.343 -0.311 -13.575 520 H GLU 8 H GLU 8 -1.688 -2.730 -10.094 521 HA GLU 8 HA GLU 8 -3.234 -0.324 -9.881 522 1HB GLU 8 2HB GLU 8 -3.633 -3.180 -9.743 523 2HB GLU 8 1HB GLU 8 -4.527 -2.381 -8.453 524 1HG GLU 8 2HG GLU 8 -4.638 -1.673 -11.389 525 2HG GLU 8 1HG GLU 8 -5.886 -2.523 -10.487 526 H LEU 9 H LEU 9 -1.552 -2.298 -7.463 527 HA LEU 9 HA LEU 9 -2.677 -0.805 -5.227 528 1HB LEU 9 2HB LEU 9 -0.005 -2.164 -5.080 529 2HB LEU 9 1HB LEU 9 -1.214 -1.957 -3.869 530 HG LEU 9 HG LEU 9 -1.903 -3.634 -6.237 531 1HD1 LEU 9 1HD1 LEU 9 0.017 -4.233 -4.028 532 2HD1 LEU 9 3HD1 LEU 9 -1.107 -5.524 -4.480 533 3HD1 LEU 9 2HD1 LEU 9 0.007 -4.850 -5.680 534 1HD2 LEU 9 3HD2 LEU 9 -2.712 -3.589 -3.301 535 2HD2 LEU 9 2HD2 LEU 9 -3.662 -2.909 -4.631 536 3HD2 LEU 9 1HD2 LEU 9 -3.394 -4.660 -4.524 537 H SER 10 H SER 10 -0.171 -0.201 -7.540 538 HA SER 10 HA SER 10 1.424 1.672 -6.035 539 1HB SER 10 2HB SER 10 2.539 1.273 -7.976 540 2HB SER 10 1HB SER 10 1.127 0.574 -8.714 541 HG SER 10 HG SER 10 1.735 3.351 -8.556 542 H VAL 11 H VAL 11 -1.274 2.020 -8.382 543 HA VAL 11 HA VAL 11 -1.697 4.883 -7.809 544 HB VAL 11 HB VAL 11 -3.369 2.922 -9.430 545 1HG1 VAL 11 3HG1 VAL 11 -3.112 5.917 -9.305 546 2HG1 VAL 11 2HG1 VAL 11 -3.655 5.132 -10.789 547 3HG1 VAL 11 1HG1 VAL 11 -4.570 4.924 -9.297 548 1HG2 VAL 11 3HG2 VAL 11 -0.902 4.494 -10.254 549 2HG2 VAL 11 2HG2 VAL 11 -1.065 2.734 -10.205 550 3HG2 VAL 11 1HG2 VAL 11 -1.985 3.677 -11.384 551 H ALA 12 H ALA 12 -3.758 1.952 -7.573 552 HA ALA 12 HA ALA 12 -5.889 3.067 -6.054 553 1HB ALA 12 3HB ALA 12 -5.599 0.791 -7.342 554 2HB ALA 12 1HB ALA 12 -6.631 0.837 -5.910 555 3HB ALA 12 2HB ALA 12 -4.985 0.196 -5.787 556 H GLY 13 H GLY 13 -3.082 1.236 -4.970 557 1HA GLY 13 1HA GLY 13 -2.072 1.008 -2.899 558 2HA GLY 13 2HA GLY 13 -3.665 1.287 -2.200 559 H ARG 14 H ARG 14 -1.260 3.255 -3.976 560 HA ARG 14 HA ARG 14 -0.615 4.849 -1.741 561 1HB ARG 14 2HB ARG 14 0.567 4.613 -4.003 562 2HB ARG 14 1HB ARG 14 -0.502 5.903 -4.558 563 1HG ARG 14 2HG ARG 14 1.695 6.752 -3.684 564 2HG ARG 14 1HG ARG 14 0.309 7.397 -2.814 565 1HD ARG 14 2HD ARG 14 0.765 6.167 -0.889 566 2HD ARG 14 1HD ARG 14 1.585 4.878 -1.782 567 HE ARG 14 HE ARG 14 3.578 6.081 -1.485 568 1HH1 ARG 14 1HH1 ARG 14 2.518 7.643 0.777 569 2HH1 ARG 14 2HH1 ARG 14 2.727 9.283 0.258 570 1HH2 ARG 14 1HH2 ARG 14 3.162 8.438 -3.098 571 2HH2 ARG 14 2HH2 ARG 14 3.092 9.736 -1.953 572 H GLU 15 H GLU 15 -3.328 5.342 -4.029 573 HA GLU 15 HA GLU 15 -3.947 8.022 -3.017 574 1HB GLU 15 2HB GLU 15 -5.412 5.964 -4.678 575 2HB GLU 15 1HB GLU 15 -6.119 7.535 -4.283 576 1HG GLU 15 2HG GLU 15 -4.107 8.640 -5.283 577 2HG GLU 15 1HG GLU 15 -3.514 7.052 -5.767 578 H ILE 16 H ILE 16 -5.221 4.739 -2.379 579 HA ILE 16 HA ILE 16 -7.295 5.341 -0.485 580 HB ILE 16 HB ILE 16 -5.419 2.990 -0.949 581 1HG1 ILE 16 2HG1 ILE 16 -8.389 3.204 -1.542 582 2HG1 ILE 16 1HG1 ILE 16 -7.171 3.736 -2.693 583 1HG2 ILE 16 3HG2 ILE 16 -7.657 3.308 1.046 584 2HG2 ILE 16 2HG2 ILE 16 -7.391 1.730 0.297 585 3HG2 ILE 16 1HG2 ILE 16 -6.102 2.493 1.232 586 1HD1 ILE 16 3HD1 ILE 16 -6.180 1.311 -2.215 587 2HD1 ILE 16 2HD1 ILE 16 -7.857 0.974 -1.787 588 3HD1 ILE 16 1HD1 ILE 16 -7.459 1.563 -3.404 589 H VAL 17 H VAL 17 -3.831 4.833 -0.143 590 HA VAL 17 HA VAL 17 -3.798 4.862 2.771 591 HB VAL 17 HB VAL 17 -2.377 3.630 1.059 592 1HG1 VAL 17 1HG1 VAL 17 -1.213 6.338 0.769 593 2HG1 VAL 17 3HG1 VAL 17 -0.233 4.898 0.506 594 3HG1 VAL 17 2HG1 VAL 17 -1.682 5.167 -0.451 595 1HG2 VAL 17 1HG2 VAL 17 -1.183 5.073 3.372 596 2HG2 VAL 17 3HG2 VAL 17 -1.718 3.387 3.259 597 3HG2 VAL 17 2HG2 VAL 17 -0.255 3.917 2.417 598 H THR 18 H THR 18 -3.531 7.378 0.270 599 HA THR 18 HA THR 18 -2.634 9.292 2.408 600 HB THR 18 HB THR 18 -1.494 10.537 0.668 601 HG1 THR 18 HG1 THR 18 -2.388 8.554 -1.155 602 1HG2 THR 18 1HG2 THR 18 -0.786 8.016 1.566 603 2HG2 THR 18 3HG2 THR 18 -0.531 7.921 -0.175 604 3HG2 THR 18 2HG2 THR 18 0.283 9.169 0.767 605 H LEU 19 H LEU 19 -5.593 8.645 0.960 606 HA LEU 19 HA LEU 19 -6.194 11.265 -0.129 607 1HB LEU 19 2HB LEU 19 -8.583 10.641 0.241 608 2HB LEU 19 1HB LEU 19 -7.647 9.461 -0.655 609 HG LEU 19 HG LEU 19 -7.617 8.942 2.222 610 1HD1 LEU 19 1HD1 LEU 19 -10.196 9.171 0.673 611 2HD1 LEU 19 3HD1 LEU 19 -10.048 8.133 2.091 612 3HD1 LEU 19 2HD1 LEU 19 -9.801 9.875 2.238 613 1HD2 LEU 19 2HD2 LEU 19 -8.347 7.445 -0.314 614 2HD2 LEU 19 1HD2 LEU 19 -6.903 7.245 0.669 615 3HD2 LEU 19 3HD2 LEU 19 -8.464 6.709 1.286 616 HA PRO 20 HA PRO 20 -5.980 13.960 3.198 617 1HB PRO 20 2HB PRO 20 -7.839 15.848 2.510 618 2HB PRO 20 1HB PRO 20 -6.270 15.654 1.703 619 1HG PRO 20 2HG PRO 20 -8.959 14.668 0.869 620 2HG PRO 20 1HG PRO 20 -7.679 15.410 -0.105 621 1HD PRO 20 1HD PRO 20 -8.107 12.744 -0.072 622 2HD PRO 20 2HD PRO 20 -6.482 13.448 -0.274 623 H ASN 21 H ASN 21 -9.377 12.921 2.639 624 HA ASN 21 HA ASN 21 -10.043 13.850 5.394 625 1HB ASN 21 2HB ASN 21 -11.721 12.781 3.127 626 2HB ASN 21 1HB ASN 21 -12.363 13.366 4.647 627 1HD2 ASN 21 1HD2 ASN 21 -13.053 14.570 2.146 628 2HD2 ASN 21 2HD2 ASN 21 -12.416 16.146 2.123 629 H LEU 22 H LEU 22 -8.626 11.054 4.440 630 HA LEU 22 HA LEU 22 -10.475 9.226 5.874 631 1HB LEU 22 2HB LEU 22 -9.166 8.773 3.679 632 2HB LEU 22 1HB LEU 22 -7.811 8.485 4.752 633 HG LEU 22 HG LEU 22 -9.409 6.894 6.013 634 1HD1 LEU 22 1HD1 LEU 22 -11.352 7.836 4.489 635 2HD1 LEU 22 3HD1 LEU 22 -10.776 6.609 3.362 636 3HD1 LEU 22 2HD1 LEU 22 -11.332 6.139 4.969 637 1HD2 LEU 22 1HD2 LEU 22 -7.777 6.546 3.624 638 2HD2 LEU 22 3HD2 LEU 22 -7.923 5.515 5.054 639 3HD2 LEU 22 2HD2 LEU 22 -9.060 5.332 3.718 640 H ASN 23 H ASN 23 -9.737 7.921 7.562 641 HA ASN 23 HA ASN 23 -7.600 9.163 9.266 642 1HB ASN 23 2HB ASN 23 -8.745 8.057 11.142 643 2HB ASN 23 1HB ASN 23 -9.873 9.047 10.226 644 1HD2 ASN 23 1HD2 ASN 23 -11.014 7.091 11.804 645 2HD2 ASN 23 2HD2 ASN 23 -11.575 5.802 10.854 646 H ASP 24 H ASP 24 -6.127 7.663 10.416 647 HA ASP 24 HA ASP 24 -4.828 5.874 8.702 648 1HB ASP 24 2HB ASP 24 -3.437 5.313 10.624 649 2HB ASP 24 1HB ASP 24 -3.783 7.036 10.577 650 HA PRO 25 HA PRO 25 -6.739 2.067 10.928 651 1HB PRO 25 2HB PRO 25 -9.341 2.263 11.771 652 2HB PRO 25 1HB PRO 25 -7.948 2.573 12.825 653 1HG PRO 25 2HG PRO 25 -9.726 4.500 11.426 654 2HG PRO 25 1HG PRO 25 -9.018 4.588 13.047 655 1HD PRO 25 1HD PRO 25 -8.045 5.953 10.911 656 2HD PRO 25 2HD PRO 25 -7.051 5.438 12.280 657 H GLN 26 H GLN 26 -9.000 4.208 9.043 658 HA GLN 26 HA GLN 26 -10.327 1.962 7.765 659 1HB GLN 26 2HB GLN 26 -10.149 4.927 7.167 660 2HB GLN 26 1HB GLN 26 -11.104 3.813 6.182 661 1HG GLN 26 2HG GLN 26 -12.220 3.032 8.336 662 2HG GLN 26 1HG GLN 26 -11.438 4.388 9.143 663 1HE2 GLN 26 1HE2 GLN 26 -11.771 6.514 7.400 664 2HE2 GLN 26 2HE2 GLN 26 -13.416 6.760 7.070 665 H LYS 27 H LYS 27 -7.705 4.193 6.644 666 HA LYS 27 HA LYS 27 -7.222 2.890 4.140 667 1HB LYS 27 2HB LYS 27 -4.816 3.724 4.531 668 2HB LYS 27 1HB LYS 27 -6.089 4.923 4.396 669 1HG LYS 27 2HG LYS 27 -6.125 4.876 6.985 670 2HG LYS 27 1HG LYS 27 -4.599 4.012 6.851 671 1HD LYS 27 2HD LYS 27 -3.948 6.275 7.010 672 2HD LYS 27 1HD LYS 27 -3.872 5.928 5.284 673 1HE LYS 27 2HE LYS 27 -6.297 6.825 5.166 674 2HE LYS 27 1HE LYS 27 -5.990 7.496 6.776 675 1HZ LYS 27 2HZ LYS 27 -3.983 8.557 5.897 676 2HZ LYS 27 1HZ LYS 27 -4.334 7.955 4.347 677 3HZ LYS 27 3HZ LYS 27 -5.369 9.086 5.071 678 H LYS 28 H LYS 28 -6.160 2.116 7.412 679 HA LYS 28 HA LYS 28 -4.163 0.174 6.822 680 1HB LYS 28 2HB LYS 28 -5.690 1.136 9.078 681 2HB LYS 28 1HB LYS 28 -5.727 -0.624 9.116 682 1HG LYS 28 2HG LYS 28 -3.167 0.791 8.588 683 2HG LYS 28 1HG LYS 28 -3.731 0.644 10.239 684 1HD LYS 28 2HD LYS 28 -3.600 -1.691 10.194 685 2HD LYS 28 1HD LYS 28 -3.638 -1.752 8.431 686 1HE LYS 28 2HE LYS 28 -1.383 -1.217 8.212 687 2HE LYS 28 1HE LYS 28 -1.335 -0.348 9.756 688 1HZ LYS 28 2HZ LYS 28 -1.858 -3.268 9.605 689 2HZ LYS 28 1HZ LYS 28 -0.287 -2.639 9.740 690 3HZ LYS 28 3HZ LYS 28 -1.422 -2.349 10.967 691 H ALA 29 H ALA 29 -7.625 -0.447 7.673 692 HA ALA 29 HA ALA 29 -7.638 -3.212 6.851 693 1HB ALA 29 1HB ALA 29 -10.105 -2.894 6.981 694 2HB ALA 29 2HB ALA 29 -9.865 -1.148 7.054 695 3HB ALA 29 3HB ALA 29 -9.289 -2.174 8.369 696 H PHE 30 H PHE 30 -8.211 -0.171 5.122 697 HA PHE 30 HA PHE 30 -9.351 -1.211 2.696 698 1HB PHE 30 2HB PHE 30 -8.373 1.280 3.807 699 2HB PHE 30 1HB PHE 30 -7.783 1.101 2.167 700 HD1 PHE 30 HD1 PHE 30 -9.311 0.775 0.304 701 HD2 PHE 30 HD2 PHE 30 -10.700 1.607 4.278 702 HE1 PHE 30 HE1 PHE 30 -11.560 1.397 -0.591 703 HE2 PHE 30 HE2 PHE 30 -12.927 2.221 3.393 704 HZ PHE 30 HZ PHE 30 -13.355 2.122 0.966 705 H ILE 31 H ILE 31 -6.005 -0.167 3.398 706 HA ILE 31 HA ILE 31 -4.905 -1.034 0.928 707 HB ILE 31 HB ILE 31 -3.837 -0.513 3.716 708 1HG1 ILE 31 2HG1 ILE 31 -3.922 1.013 1.136 709 2HG1 ILE 31 1HG1 ILE 31 -4.043 1.604 2.810 710 1HG2 ILE 31 3HG2 ILE 31 -2.532 -2.356 2.288 711 2HG2 ILE 31 2HG2 ILE 31 -1.869 -0.922 1.487 712 3HG2 ILE 31 1HG2 ILE 31 -1.682 -1.143 3.234 713 1HD1 ILE 31 1HD1 ILE 31 -1.482 0.516 1.696 714 2HD1 ILE 31 3HD1 ILE 31 -1.935 2.186 1.490 715 3HD1 ILE 31 2HD1 ILE 31 -1.725 1.542 3.114 716 H PHE 32 H PHE 32 -5.220 -2.639 4.132 717 HA PHE 32 HA PHE 32 -3.856 -5.056 3.458 718 1HB PHE 32 2HB PHE 32 -5.769 -4.143 5.588 719 2HB PHE 32 1HB PHE 32 -5.447 -5.871 5.451 720 HD1 PHE 32 HD1 PHE 32 -3.392 -2.634 5.290 721 HD2 PHE 32 HD2 PHE 32 -3.653 -6.720 6.838 722 HE1 PHE 32 HE1 PHE 32 -1.256 -2.390 6.437 723 HE2 PHE 32 HE2 PHE 32 -1.490 -6.381 7.921 724 HZ PHE 32 HZ PHE 32 -0.295 -4.270 7.689 725 H SER 33 H SER 33 -7.297 -4.073 2.918 726 HA SER 33 HA SER 33 -8.018 -6.762 1.910 727 1HB SER 33 2HB SER 33 -10.139 -5.628 1.309 728 2HB SER 33 1HB SER 33 -9.679 -5.264 2.966 729 HG SER 33 HG SER 33 -9.586 -3.250 2.426 730 H LEU 34 H LEU 34 -6.874 -3.679 0.605 731 HA LEU 34 HA LEU 34 -7.193 -4.184 -2.225 732 1HB LEU 34 2HB LEU 34 -6.909 -1.967 -1.536 733 2HB LEU 34 1HB LEU 34 -5.656 -2.353 -0.388 734 HG LEU 34 HG LEU 34 -4.298 -2.905 -2.590 735 1HD1 LEU 34 2HD1 LEU 34 -6.748 -1.532 -3.541 736 2HD1 LEU 34 1HD1 LEU 34 -5.248 -0.799 -4.113 737 3HD1 LEU 34 3HD1 LEU 34 -5.581 -2.504 -4.442 738 1HD2 LEU 34 3HD2 LEU 34 -3.838 -1.118 -0.869 739 2HD2 LEU 34 2HD2 LEU 34 -3.459 -0.613 -2.518 740 3HD2 LEU 34 1HD2 LEU 34 -4.942 -0.060 -1.751 741 H TRP 35 H TRP 35 -4.609 -4.866 0.125 742 HA TRP 35 HA TRP 35 -2.644 -5.864 -1.756 743 1HB TRP 35 2HB TRP 35 -2.196 -5.015 0.537 744 2HB TRP 35 1HB TRP 35 -3.027 -6.425 1.201 745 HD1 TRP 35 HD1 TRP 35 -1.555 -8.490 1.578 746 HE1 TRP 35 HE1 TRP 35 0.702 -9.301 0.710 747 HE3 TRP 35 HE3 TRP 35 -0.548 -4.791 -1.746 748 HZ2 TRP 35 HZ2 TRP 35 2.722 -8.455 -1.135 749 HZ3 TRP 35 HZ3 TRP 35 1.550 -4.815 -3.049 750 HH2 TRP 35 HH2 TRP 35 3.166 -6.627 -2.749 751 H ASP 36 H ASP 36 -4.959 -7.497 0.459 752 HA ASP 36 HA ASP 36 -4.270 -10.191 -0.305 753 1HB ASP 36 2HB ASP 36 -5.570 -9.040 1.766 754 2HB ASP 36 1HB ASP 36 -6.964 -9.519 0.802 755 H ASP 37 H ASP 37 -6.877 -7.946 -1.269 756 HA ASP 37 HA ASP 37 -7.462 -9.769 -3.537 757 1HB ASP 37 2HB ASP 37 -9.336 -8.321 -1.648 758 2HB ASP 37 1HB ASP 37 -9.882 -9.046 -3.160 759 HA PRO 38 HA PRO 38 -6.585 -5.429 -5.029 760 1HB PRO 38 2HB PRO 38 -4.921 -6.158 -7.048 761 2HB PRO 38 1HB PRO 38 -4.366 -5.807 -5.404 762 1HG PRO 38 2HG PRO 38 -4.906 -8.454 -6.686 763 2HG PRO 38 1HG PRO 38 -3.548 -7.965 -5.655 764 1HD PRO 38 1HD PRO 38 -5.611 -9.391 -4.687 765 2HD PRO 38 2HD PRO 38 -4.777 -8.153 -3.714 766 H SER 39 H SER 39 -8.151 -8.251 -6.162 767 HA SER 39 HA SER 39 -8.718 -7.639 -8.914 768 1HB SER 39 2HB SER 39 -9.324 -9.635 -7.174 769 2HB SER 39 1HB SER 39 -10.846 -8.758 -7.134 770 HG SER 39 HG SER 39 -11.150 -9.158 -9.238 771 H GLN 40 H GLN 40 -10.074 -6.588 -5.813 772 HA GLN 40 HA GLN 40 -12.026 -4.712 -7.063 773 1HB GLN 40 2HB GLN 40 -11.415 -4.955 -4.122 774 2HB GLN 40 1HB GLN 40 -12.945 -4.552 -4.892 775 1HG GLN 40 2HG GLN 40 -12.685 -7.045 -5.827 776 2HG GLN 40 1HG GLN 40 -11.692 -7.202 -4.376 777 1HE2 GLN 40 1HE2 GLN 40 -13.043 -5.645 -2.500 778 2HE2 GLN 40 2HE2 GLN 40 -14.614 -6.241 -2.268 779 H SER 41 H SER 41 -8.811 -4.460 -6.865 780 HA SER 41 HA SER 41 -8.064 -2.360 -5.144 781 1HB SER 41 2HB SER 41 -6.586 -3.806 -6.429 782 2HB SER 41 1HB SER 41 -7.111 -3.040 -7.923 783 HG SER 41 HG SER 41 -5.930 -1.338 -7.461 784 H ALA 42 H ALA 42 -9.326 -2.115 -8.515 785 HA ALA 42 HA ALA 42 -9.153 0.757 -8.732 786 1HB ALA 42 2HB ALA 42 -11.054 -1.263 -9.991 787 2HB ALA 42 1HB ALA 42 -10.818 0.388 -10.564 788 3HB ALA 42 3HB ALA 42 -9.490 -0.773 -10.644 789 H ASN 43 H ASN 43 -11.743 -1.451 -7.630 790 HA ASN 43 HA ASN 43 -13.676 0.553 -6.959 791 1HB ASN 43 2HB ASN 43 -14.028 -1.915 -7.392 792 2HB ASN 43 1HB ASN 43 -13.294 -2.233 -5.823 793 1HD2 ASN 43 1HD2 ASN 43 -14.963 -2.744 -4.411 794 2HD2 ASN 43 2HD2 ASN 43 -16.420 -1.884 -4.272 795 H LEU 44 H LEU 44 -10.987 -0.988 -5.163 796 HA LEU 44 HA LEU 44 -11.630 -0.053 -2.522 797 1HB LEU 44 2HB LEU 44 -9.319 -1.152 -4.026 798 2HB LEU 44 1HB LEU 44 -8.926 -0.282 -2.547 799 HG LEU 44 HG LEU 44 -11.202 -2.162 -2.346 800 1HD1 LEU 44 1HD1 LEU 44 -8.656 -3.008 -3.455 801 2HD1 LEU 44 3HD1 LEU 44 -8.939 -3.770 -1.886 802 3HD1 LEU 44 2HD1 LEU 44 -10.122 -3.962 -3.183 803 1HD2 LEU 44 1HD2 LEU 44 -8.776 -1.369 -0.698 804 2HD2 LEU 44 3HD2 LEU 44 -10.476 -0.963 -0.411 805 3HD2 LEU 44 2HD2 LEU 44 -9.916 -2.626 -0.192 806 H LEU 45 H LEU 45 -9.540 1.248 -5.008 807 HA LEU 45 HA LEU 45 -8.634 3.635 -3.787 808 1HB LEU 45 2HB LEU 45 -7.699 2.832 -5.857 809 2HB LEU 45 1HB LEU 45 -9.272 2.832 -6.643 810 HG LEU 45 HG LEU 45 -9.352 5.223 -6.690 811 1HD1 LEU 45 1HD1 LEU 45 -7.182 4.956 -4.658 812 2HD1 LEU 45 3HD1 LEU 45 -7.136 6.362 -5.728 813 3HD1 LEU 45 2HD1 LEU 45 -8.552 6.074 -4.716 814 1HD2 LEU 45 1HD2 LEU 45 -7.833 4.007 -8.333 815 2HD2 LEU 45 3HD2 LEU 45 -7.488 5.721 -8.107 816 3HD2 LEU 45 2HD2 LEU 45 -6.479 4.508 -7.320 817 H ALA 46 H ALA 46 -11.534 3.015 -5.764 818 HA ALA 46 HA ALA 46 -12.670 5.650 -5.671 819 1HB ALA 46 2HB ALA 46 -14.641 4.448 -6.476 820 2HB ALA 46 1HB ALA 46 -13.215 3.672 -7.173 821 3HB ALA 46 3HB ALA 46 -14.027 2.938 -5.787 822 H GLU 47 H GLU 47 -13.219 2.711 -3.737 823 HA GLU 47 HA GLU 47 -15.184 3.619 -1.914 824 1HB GLU 47 2HB GLU 47 -13.001 1.535 -1.950 825 2HB GLU 47 1HB GLU 47 -14.018 1.722 -0.525 826 1HG GLU 47 2HG GLU 47 -16.036 1.347 -1.883 827 2HG GLU 47 1HG GLU 47 -15.042 1.189 -3.329 828 H ALA 48 H ALA 48 -11.644 3.886 -1.882 829 HA ALA 48 HA ALA 48 -11.327 4.882 0.814 830 1HB ALA 48 1HB ALA 48 -9.281 4.238 0.017 831 2HB ALA 48 2HB ALA 48 -9.190 5.861 -0.673 832 3HB ALA 48 3HB ALA 48 -9.753 4.494 -1.667 833 H LYS 49 H LYS 49 -11.453 6.534 -2.375 834 HA LYS 49 HA LYS 49 -11.334 9.240 -1.414 835 1HB LYS 49 2HB LYS 49 -12.589 7.994 -3.892 836 2HB LYS 49 1HB LYS 49 -12.328 9.722 -3.685 837 1HG LYS 49 2HG LYS 49 -9.889 9.306 -3.434 838 2HG LYS 49 1HG LYS 49 -10.169 7.587 -3.715 839 1HD LYS 49 2HD LYS 49 -11.261 8.231 -5.915 840 2HD LYS 49 1HD LYS 49 -10.675 9.869 -5.641 841 1HE LYS 49 2HE LYS 49 -8.347 8.616 -5.274 842 2HE LYS 49 1HE LYS 49 -9.123 7.386 -6.290 843 1HZ LYS 49 2HZ LYS 49 -9.674 9.099 -7.904 844 2HZ LYS 49 1HZ LYS 49 -8.934 10.288 -6.939 845 3HZ LYS 49 3HZ LYS 49 -7.997 9.060 -7.641 846 H LYS 50 H LYS 50 -14.172 7.192 -2.268 847 HA LYS 50 HA LYS 50 -16.185 9.133 -1.610 848 1HB LYS 50 2HB LYS 50 -16.140 6.110 -1.757 849 2HB LYS 50 1HB LYS 50 -17.625 7.026 -1.484 850 1HG LYS 50 2HG LYS 50 -17.260 8.274 -3.581 851 2HG LYS 50 1HG LYS 50 -15.758 7.394 -3.853 852 1HD LYS 50 2HD LYS 50 -17.348 6.237 -5.173 853 2HD LYS 50 1HD LYS 50 -17.196 5.251 -3.719 854 1HE LYS 50 2HE LYS 50 -19.252 6.138 -2.804 855 2HE LYS 50 1HE LYS 50 -19.348 7.372 -4.076 856 1HZ LYS 50 2HZ LYS 50 -19.380 4.425 -4.525 857 2HZ LYS 50 1HZ LYS 50 -20.737 5.444 -4.601 858 3HZ LYS 50 3HZ LYS 50 -19.488 5.618 -5.733 859 H LEU 51 H LEU 51 -14.536 6.677 0.402 860 HA LEU 51 HA LEU 51 -16.167 6.991 2.760 861 1HB LEU 51 2HB LEU 51 -14.714 5.071 2.392 862 2HB LEU 51 1HB LEU 51 -13.294 6.107 2.317 863 HG LEU 51 HG LEU 51 -13.484 6.661 4.661 864 1HD1 LEU 51 1HD1 LEU 51 -16.242 5.669 4.305 865 2HD1 LEU 51 3HD1 LEU 51 -15.470 5.132 5.797 866 3HD1 LEU 51 2HD1 LEU 51 -15.612 6.857 5.448 867 1HD2 LEU 51 1HD2 LEU 51 -12.990 4.107 3.685 868 2HD2 LEU 51 3HD2 LEU 51 -12.577 4.692 5.292 869 3HD2 LEU 51 2HD2 LEU 51 -14.088 3.823 5.033 870 H ASN 52 H ASN 52 -13.287 8.746 1.568 871 HA ASN 52 HA ASN 52 -12.647 10.253 3.887 872 1HB ASN 52 2HB ASN 52 -11.133 11.106 2.430 873 2HB ASN 52 1HB ASN 52 -11.785 9.975 1.271 874 1HD2 ASN 52 1HD2 ASN 52 -10.550 12.760 0.965 875 2HD2 ASN 52 2HD2 ASN 52 -11.692 13.640 0.070 876 H ASP 53 H ASP 53 -15.242 10.683 1.481 877 HA ASP 53 HA ASP 53 -16.068 13.341 2.154 878 1HB ASP 53 2HB ASP 53 -17.554 10.950 1.022 879 2HB ASP 53 1HB ASP 53 -18.222 12.578 1.069 880 H ALA 54 H ALA 54 -16.984 10.156 3.478 881 HA ALA 54 HA ALA 54 -19.245 10.921 5.044 882 1HB ALA 54 2HB ALA 54 -18.133 8.630 4.417 883 2HB ALA 54 1HB ALA 54 -17.211 8.866 5.903 884 3HB ALA 54 3HB ALA 54 -18.973 8.770 5.964 885 H GLN 55 H GLN 55 -15.776 11.205 5.675 886 HA GLN 55 HA GLN 55 -16.201 12.165 8.453 887 1HB GLN 55 2HB GLN 55 -13.846 11.446 6.693 888 2HB GLN 55 1HB GLN 55 -13.636 12.077 8.315 889 1HG GLN 55 2HG GLN 55 -14.786 10.207 9.297 890 2HG GLN 55 1HG GLN 55 -15.343 9.647 7.717 891 1HE2 GLN 55 1HE2 GLN 55 -13.158 9.643 6.140 892 2HE2 GLN 55 2HE2 GLN 55 -11.935 8.657 6.780 893 H ALA 56 H ALA 56 -15.187 13.360 5.236 894 HA ALA 56 HA ALA 56 -15.604 16.167 6.080 895 1HB ALA 56 3HB ALA 56 -13.400 16.113 6.765 896 2HB ALA 56 1HB ALA 56 -13.142 16.452 5.052 897 3HB ALA 56 2HB ALA 56 -12.995 14.803 5.655 898 HA PRO 57 HA PRO 57 -16.618 16.374 1.727 899 1HB PRO 57 2HB PRO 57 -16.519 19.081 1.341 900 2HB PRO 57 1HB PRO 57 -17.842 18.276 2.207 901 1HG PRO 57 2HG PRO 57 -15.507 19.767 3.276 902 2HG PRO 57 1HG PRO 57 -17.178 19.715 3.860 903 1HD PRO 57 1HD PRO 57 -15.104 18.320 4.993 904 2HD PRO 57 2HD PRO 57 -16.811 17.839 5.113 905 H LYS 58 H LYS 58 -15.511 16.587 -0.304 906 HA LYS 58 HA LYS 58 -12.633 16.509 -0.284 907 1HB LYS 58 2HB LYS 58 -14.671 16.914 -2.500 908 2HB LYS 58 1HB LYS 58 -12.953 16.673 -2.803 909 1HG LYS 58 2HG LYS 58 -13.092 14.513 -1.526 910 2HG LYS 58 1HG LYS 58 -14.833 14.744 -1.424 911 1HD LYS 58 2HD LYS 58 -14.872 14.901 -3.953 912 2HD LYS 58 1HD LYS 58 -13.182 14.405 -3.940 913 1HE LYS 58 2HE LYS 58 -15.488 12.785 -2.783 914 2HE LYS 58 1HE LYS 58 -14.665 12.447 -4.310 915 1HZ LYS 58 1HZ LYS 58 -12.538 12.466 -2.924 916 2HZ LYS 58 3HZ LYS 58 -13.550 12.335 -1.568 917 3HZ LYS 58 2HZ LYS 58 -13.563 11.126 -2.753 No H/Q in entry = 917 Start of MODEL 14 1 H1 VAL 1 3H VAL 1 -2.238 -22.782 13.463 2 H2 VAL 1 2H VAL 1 -3.241 -23.360 12.220 3 H3 VAL 1 1H VAL 1 -2.094 -24.388 12.941 4 HA VAL 1 HA VAL 1 -0.272 -23.213 11.981 5 HB VAL 1 HB VAL 1 -2.600 -23.701 10.078 6 1HG1 VAL 1 1HG1 VAL 1 0.344 -23.257 9.507 7 2HG1 VAL 1 3HG1 VAL 1 -0.758 -24.010 8.356 8 3HG1 VAL 1 2HG1 VAL 1 -1.021 -22.343 8.865 9 1HG2 VAL 1 3HG2 VAL 1 -0.293 -25.389 11.082 10 2HG2 VAL 1 2HG2 VAL 1 -2.019 -25.721 11.228 11 3HG2 VAL 1 1HG2 VAL 1 -1.232 -25.826 9.655 12 H ASP 2 H ASP 2 0.462 -21.133 11.983 13 HA ASP 2 HA ASP 2 -1.339 -18.952 10.961 14 1HB ASP 2 2HB ASP 2 0.681 -18.948 13.238 15 2HB ASP 2 1HB ASP 2 -0.215 -17.531 12.691 16 H ASN 3 H ASN 3 -0.497 -17.961 9.177 17 HA ASN 3 HA ASN 3 2.435 -18.231 8.613 18 1HB ASN 3 2HB ASN 3 -0.013 -17.723 6.890 19 2HB ASN 3 1HB ASN 3 1.636 -17.675 6.264 20 1HD2 ASN 3 1HD2 ASN 3 -0.965 -19.807 7.235 21 2HD2 ASN 3 2HD2 ASN 3 -0.146 -21.262 6.934 22 H LYS 4 H LYS 4 3.439 -16.453 9.487 23 HA LYS 4 HA LYS 4 2.271 -13.843 9.808 24 1HB LYS 4 2HB LYS 4 4.552 -13.197 10.447 25 2HB LYS 4 1HB LYS 4 4.145 -14.759 11.150 26 1HG LYS 4 2HG LYS 4 5.323 -15.806 9.114 27 2HG LYS 4 1HG LYS 4 5.942 -14.189 8.779 28 1HD LYS 4 2HD LYS 4 7.620 -14.644 10.210 29 2HD LYS 4 1HD LYS 4 6.432 -14.545 11.507 30 1HE LYS 4 2HE LYS 4 6.762 -17.126 9.967 31 2HE LYS 4 1HE LYS 4 7.857 -16.734 11.305 32 1HZ LYS 4 3HZ LYS 4 5.872 -16.289 12.692 33 2HZ LYS 4 2HZ LYS 4 4.881 -16.829 11.419 34 3HZ LYS 4 1HZ LYS 4 5.957 -17.901 12.176 35 H PHE 5 H PHE 5 4.311 -15.192 7.197 36 HA PHE 5 HA PHE 5 5.035 -12.841 5.844 37 1HB PHE 5 2HB PHE 5 4.369 -15.615 4.839 38 2HB PHE 5 1HB PHE 5 5.096 -14.378 3.822 39 HD1 PHE 5 HD1 PHE 5 6.521 -16.862 4.120 40 HD2 PHE 5 HD2 PHE 5 6.553 -13.449 6.745 41 HE1 PHE 5 HE1 PHE 5 8.763 -17.510 4.953 42 HE2 PHE 5 HE2 PHE 5 8.792 -14.105 7.565 43 HZ PHE 5 HZ PHE 5 9.895 -16.134 6.674 44 H ASN 6 H ASN 6 1.890 -14.546 5.692 45 HA ASN 6 HA ASN 6 0.788 -13.277 3.398 46 1HB ASN 6 2HB ASN 6 -0.363 -14.339 5.986 47 2HB ASN 6 1HB ASN 6 -1.410 -13.668 4.736 48 1HD2 ASN 6 1HD2 ASN 6 -1.116 -14.701 2.469 49 2HD2 ASN 6 2HD2 ASN 6 -0.740 -16.356 2.413 50 H LYS 7 H LYS 7 0.484 -12.194 6.855 51 HA LYS 7 HA LYS 7 -0.602 -9.614 5.987 52 1HB LYS 7 2HB LYS 7 -1.452 -10.447 8.023 53 2HB LYS 7 1HB LYS 7 0.179 -10.746 8.670 54 1HG LYS 7 2HG LYS 7 0.579 -8.272 8.583 55 2HG LYS 7 1HG LYS 7 -1.094 -8.061 8.063 56 1HD LYS 7 2HD LYS 7 -1.929 -8.973 10.090 57 2HD LYS 7 1HD LYS 7 -0.311 -9.503 10.582 58 1HE LYS 7 2HE LYS 7 -0.882 -6.571 10.069 59 2HE LYS 7 1HE LYS 7 -1.237 -7.300 11.647 60 1HZ LYS 7 2HZ LYS 7 1.065 -8.183 11.658 61 2HZ LYS 7 1HZ LYS 7 1.386 -7.312 10.234 62 3HZ LYS 7 3HZ LYS 7 1.012 -6.487 11.666 63 H GLU 8 H GLU 8 2.642 -10.819 6.796 64 HA GLU 8 HA GLU 8 3.909 -8.310 7.347 65 1HB GLU 8 2HB GLU 8 4.877 -10.873 6.046 66 2HB GLU 8 1HB GLU 8 5.938 -9.489 6.298 67 1HG GLU 8 2HG GLU 8 4.421 -10.972 8.465 68 2HG GLU 8 1HG GLU 8 6.161 -11.072 8.148 69 H GLN 9 H GLN 9 3.058 -9.962 4.313 70 HA GLN 9 HA GLN 9 4.176 -8.029 2.516 71 1HB GLN 9 2HB GLN 9 1.864 -9.975 2.294 72 2HB GLN 9 1HB GLN 9 2.497 -9.059 0.935 73 1HG GLN 9 2HG GLN 9 4.634 -10.160 1.094 74 2HG GLN 9 1HG GLN 9 4.158 -10.968 2.592 75 1HE2 GLN 9 1HE2 GLN 9 3.623 -10.919 -0.930 76 2HE2 GLN 9 2HE2 GLN 9 2.796 -12.401 -0.991 77 H GLN 10 H GLN 10 1.041 -8.470 4.102 78 HA GLN 10 HA GLN 10 -0.467 -6.285 3.002 79 1HB GLN 10 2HB GLN 10 -0.697 -8.372 4.876 80 2HB GLN 10 1HB GLN 10 -1.022 -6.909 5.773 81 1HG GLN 10 2HG GLN 10 -3.128 -7.141 4.973 82 2HG GLN 10 1HG GLN 10 -2.461 -6.472 3.496 83 1HE2 GLN 10 1HE2 GLN 10 -4.110 -7.804 2.281 84 2HE2 GLN 10 2HE2 GLN 10 -3.851 -9.467 2.065 85 H ASN 11 H ASN 11 1.515 -6.518 5.966 86 HA ASN 11 HA ASN 11 1.153 -3.749 6.759 87 1HB ASN 11 2HB ASN 11 1.824 -5.875 8.126 88 2HB ASN 11 1HB ASN 11 3.458 -5.564 7.531 89 1HD2 ASN 11 1HD2 ASN 11 4.660 -3.916 8.574 90 2HD2 ASN 11 2HD2 ASN 11 4.020 -2.891 9.766 91 H ALA 12 H ALA 12 3.800 -5.558 5.123 92 HA ALA 12 HA ALA 12 5.618 -3.349 4.841 93 1HB ALA 12 1HB ALA 12 5.160 -5.980 3.432 94 2HB ALA 12 2HB ALA 12 6.504 -5.508 4.480 95 3HB ALA 12 3HB ALA 12 6.381 -4.844 2.846 96 H PHE 13 H PHE 13 3.055 -4.662 2.721 97 HA PHE 13 HA PHE 13 3.318 -2.881 0.489 98 1HB PHE 13 2HB PHE 13 1.874 -4.851 0.390 99 2HB PHE 13 1HB PHE 13 0.970 -4.327 1.804 100 HD1 PHE 13 HD1 PHE 13 2.046 -2.676 -1.362 101 HD2 PHE 13 HD2 PHE 13 -1.187 -3.664 1.260 102 HE1 PHE 13 HE1 PHE 13 0.462 -1.561 -2.889 103 HE2 PHE 13 HE2 PHE 13 -2.771 -2.538 -0.252 104 HZ PHE 13 HZ PHE 13 -1.946 -1.490 -2.325 105 H TYR 14 H TYR 14 1.160 -2.787 3.293 106 HA TYR 14 HA TYR 14 -0.062 -0.289 3.048 107 1HB TYR 14 2HB TYR 14 -0.562 -2.086 4.629 108 2HB TYR 14 1HB TYR 14 0.956 -1.801 5.468 109 HD1 TYR 14 HD1 TYR 14 1.106 -0.191 7.160 110 HD2 TYR 14 HD2 TYR 14 -2.244 -0.174 4.490 111 HE1 TYR 14 HE1 TYR 14 0.000 1.525 8.556 112 HE2 TYR 14 HE2 TYR 14 -3.351 1.482 5.852 113 HH TYR 14 HH TYR 14 -1.833 3.400 8.029 114 H GLU 15 H GLU 15 2.896 -1.008 4.967 115 HA GLU 15 HA GLU 15 3.555 1.686 5.619 116 1HB GLU 15 2HB GLU 15 5.195 -0.849 5.375 117 2HB GLU 15 1HB GLU 15 5.817 0.647 6.064 118 1HG GLU 15 2HG GLU 15 3.386 -0.860 7.092 119 2HG GLU 15 1HG GLU 15 4.983 -0.901 7.826 120 H ILE 16 H ILE 16 4.662 -0.364 2.827 121 HA ILE 16 HA ILE 16 6.507 1.474 1.652 122 HB ILE 16 HB ILE 16 4.754 -0.776 0.748 123 1HG1 ILE 16 2HG1 ILE 16 7.493 -0.476 -0.283 124 2HG1 ILE 16 1HG1 ILE 16 7.393 -0.422 1.474 125 1HG2 ILE 16 1HG2 ILE 16 5.928 1.196 -1.225 126 2HG2 ILE 16 3HG2 ILE 16 5.483 -0.459 -1.654 127 3HG2 ILE 16 2HG2 ILE 16 4.248 0.672 -1.099 128 1HD1 ILE 16 2HD1 ILE 16 5.772 -2.525 0.161 129 2HD1 ILE 16 1HD1 ILE 16 7.543 -2.726 0.070 130 3HD1 ILE 16 3HD1 ILE 16 6.747 -2.587 1.640 131 H LEU 17 H LEU 17 2.981 1.233 1.275 132 HA LEU 17 HA LEU 17 2.629 3.541 -0.460 133 1HB LEU 17 2HB LEU 17 0.762 2.149 1.492 134 2HB LEU 17 1HB LEU 17 0.247 3.278 0.245 135 HG LEU 17 HG LEU 17 1.936 1.091 -0.764 136 1HD1 LEU 17 3HD1 LEU 17 0.117 0.305 1.129 137 2HD1 LEU 17 2HD1 LEU 17 -0.841 0.280 -0.364 138 3HD1 LEU 17 1HD1 LEU 17 0.636 -0.667 -0.248 139 1HD2 LEU 17 2HD2 LEU 17 0.377 2.851 -1.952 140 2HD2 LEU 17 1HD2 LEU 17 0.503 1.183 -2.557 141 3HD2 LEU 17 3HD2 LEU 17 -0.869 1.645 -1.535 142 H HIS 18 H HIS 18 2.446 3.130 3.113 143 HA HIS 18 HA HIS 18 1.569 5.845 3.637 144 1HB HIS 18 2HB HIS 18 2.635 3.554 5.290 145 2HB HIS 18 1HB HIS 18 2.359 5.131 6.021 146 HD1 HIS 18 HD1 HIS 18 -0.180 6.081 5.870 147 HD2 HIS 18 HD2 HIS 18 0.281 2.049 4.932 148 HE1 HIS 18 HE1 HIS 18 -2.494 4.957 5.826 149 H LEU 19 H LEU 19 4.803 4.456 3.157 150 HA LEU 19 HA LEU 19 6.406 6.244 4.672 151 1HB LEU 19 2HB LEU 19 6.816 4.803 2.041 152 2HB LEU 19 1HB LEU 19 8.096 5.772 2.759 153 HG LEU 19 HG LEU 19 6.699 3.508 4.217 154 1HD1 LEU 19 3HD1 LEU 19 9.173 3.557 2.488 155 2HD1 LEU 19 2HD1 LEU 19 8.969 2.354 3.761 156 3HD1 LEU 19 1HD1 LEU 19 7.818 2.435 2.431 157 1HD2 LEU 19 3HD2 LEU 19 8.036 5.457 5.417 158 2HD2 LEU 19 2HD2 LEU 19 8.270 3.782 5.925 159 3HD2 LEU 19 1HD2 LEU 19 9.441 4.551 4.855 160 HA PRO 20 HA PRO 20 5.202 10.068 2.669 161 1HB PRO 20 2HB PRO 20 6.960 11.689 4.016 162 2HB PRO 20 1HB PRO 20 5.433 11.096 4.702 163 1HG PRO 20 2HG PRO 20 8.204 10.030 5.056 164 2HG PRO 20 1HG PRO 20 6.938 10.301 6.270 165 1HD PRO 20 1HD PRO 20 7.428 7.859 5.295 166 2HD PRO 20 2HD PRO 20 5.774 8.389 5.680 167 H ASN 21 H ASN 21 8.477 8.700 2.482 168 HA ASN 21 HA ASN 21 9.135 10.731 0.378 169 1HB ASN 21 2HB ASN 21 10.860 8.977 2.142 170 2HB ASN 21 1HB ASN 21 11.496 10.028 0.879 171 1HD2 ASN 21 1HD2 ASN 21 10.510 9.953 4.181 172 2HD2 ASN 21 2HD2 ASN 21 10.515 11.627 4.449 173 H LEU 22 H LEU 22 7.784 7.716 0.426 174 HA LEU 22 HA LEU 22 9.465 6.508 -1.690 175 1HB LEU 22 2HB LEU 22 7.019 5.696 -0.116 176 2HB LEU 22 1HB LEU 22 7.393 4.855 -1.612 177 HG LEU 22 HG LEU 22 8.826 4.796 1.011 178 1HD1 LEU 22 2HD1 LEU 22 8.190 2.875 -1.229 179 2HD1 LEU 22 1HD1 LEU 22 9.283 2.434 0.090 180 3HD1 LEU 22 3HD1 LEU 22 7.598 2.844 0.433 181 1HD2 LEU 22 1HD2 LEU 22 10.233 4.560 -1.668 182 2HD2 LEU 22 3HD2 LEU 22 10.602 5.706 -0.361 183 3HD2 LEU 22 2HD2 LEU 22 10.903 3.976 -0.140 184 H ASN 23 H ASN 23 8.953 6.532 -3.829 185 HA ASN 23 HA ASN 23 6.579 8.178 -4.651 186 1HB ASN 23 2HB ASN 23 7.981 8.464 -6.790 187 2HB ASN 23 1HB ASN 23 8.563 9.271 -5.351 188 1HD2 ASN 23 1HD2 ASN 23 10.675 8.689 -4.593 189 2HD2 ASN 23 2HD2 ASN 23 11.611 7.464 -5.300 190 H GLU 24 H GLU 24 6.137 7.547 -7.163 191 HA GLU 24 HA GLU 24 4.826 5.006 -7.116 192 1HB GLU 24 2HB GLU 24 4.338 7.034 -8.563 193 2HB GLU 24 1HB GLU 24 5.720 6.575 -9.557 194 1HG GLU 24 2HG GLU 24 4.548 4.947 -10.599 195 2HG GLU 24 1HG GLU 24 3.945 4.307 -9.073 196 H GLU 25 H GLU 25 8.065 5.920 -8.333 197 HA GLU 25 HA GLU 25 8.622 3.391 -9.639 198 1HB GLU 25 2HB GLU 25 9.790 5.579 -10.018 199 2HB GLU 25 1HB GLU 25 10.522 5.426 -8.424 200 1HG GLU 25 2HG GLU 25 11.513 3.233 -9.152 201 2HG GLU 25 1HG GLU 25 10.902 3.552 -10.775 202 H GLN 26 H GLN 26 9.475 4.658 -6.369 203 HA GLN 26 HA GLN 26 10.767 2.177 -5.515 204 1HB GLN 26 2HB GLN 26 9.773 4.596 -3.984 205 2HB GLN 26 1HB GLN 26 10.806 3.337 -3.315 206 1HG GLN 26 2HG GLN 26 11.485 5.254 -5.564 207 2HG GLN 26 1HG GLN 26 12.224 5.182 -3.971 208 1HE2 GLN 26 1HE2 GLN 26 13.269 4.679 -6.894 209 2HE2 GLN 26 2HE2 GLN 26 14.125 3.222 -6.734 210 H ARG 27 H ARG 27 7.702 3.745 -4.494 211 HA ARG 27 HA ARG 27 6.778 1.680 -2.788 212 1HB ARG 27 2HB ARG 27 5.806 3.889 -2.816 213 2HB ARG 27 1HB ARG 27 5.374 3.744 -4.515 214 1HG ARG 27 2HG ARG 27 3.889 1.769 -3.803 215 2HG ARG 27 1HG ARG 27 4.128 2.335 -2.150 216 1HD ARG 27 2HD ARG 27 2.060 3.296 -3.092 217 2HD ARG 27 1HD ARG 27 3.261 4.576 -2.834 218 HE ARG 27 HE ARG 27 2.989 3.248 -5.512 219 1HH1 ARG 27 1HH1 ARG 27 4.515 5.803 -4.004 220 2HH1 ARG 27 2HH1 ARG 27 3.957 7.029 -5.089 221 1HH2 ARG 27 1HH2 ARG 27 1.689 4.956 -6.717 222 2HH2 ARG 27 2HH2 ARG 27 2.360 6.549 -6.627 223 H ASN 28 H ASN 28 5.966 2.170 -6.313 224 HA ASN 28 HA ASN 28 4.259 -0.140 -6.546 225 1HB ASN 28 2HB ASN 28 4.404 1.821 -8.095 226 2HB ASN 28 1HB ASN 28 5.954 1.225 -8.630 227 1HD2 ASN 28 1HD2 ASN 28 4.797 1.162 -10.806 228 2HD2 ASN 28 2HD2 ASN 28 3.897 -0.225 -11.189 229 H ALA 29 H ALA 29 7.751 0.328 -7.235 230 HA ALA 29 HA ALA 29 8.371 -2.266 -8.253 231 1HB ALA 29 2HB ALA 29 9.860 -0.294 -8.188 232 2HB ALA 29 3HB ALA 29 10.627 -1.707 -7.454 233 3HB ALA 29 1HB ALA 29 9.948 -0.441 -6.427 234 H PHE 30 H PHE 30 8.116 -1.020 -4.937 235 HA PHE 30 HA PHE 30 8.945 -3.395 -3.554 236 1HB PHE 30 2HB PHE 30 7.309 -0.938 -2.921 237 2HB PHE 30 1HB PHE 30 7.518 -2.216 -1.725 238 HD1 PHE 30 HD1 PHE 30 8.602 0.697 -1.629 239 HD2 PHE 30 HD2 PHE 30 10.351 -3.032 -2.828 240 HE1 PHE 30 HE1 PHE 30 10.844 1.533 -1.018 241 HE2 PHE 30 HE2 PHE 30 12.561 -2.199 -2.234 242 HZ PHE 30 HZ PHE 30 12.821 0.035 -1.323 243 H ILE 31 H ILE 31 5.770 -2.129 -4.457 244 HA ILE 31 HA ILE 31 4.242 -4.332 -3.401 245 HB ILE 31 HB ILE 31 3.731 -2.285 -5.592 246 1HG1 ILE 31 2HG1 ILE 31 2.722 -2.353 -2.771 247 2HG1 ILE 31 1HG1 ILE 31 4.267 -1.623 -3.140 248 1HG2 ILE 31 1HG2 ILE 31 2.218 -4.578 -4.729 249 2HG2 ILE 31 3HG2 ILE 31 1.376 -3.080 -4.344 250 3HG2 ILE 31 2HG2 ILE 31 1.861 -3.419 -6.001 251 1HD1 ILE 31 2HD1 ILE 31 1.652 -0.865 -4.453 252 2HD1 ILE 31 1HD1 ILE 31 2.391 -0.002 -3.088 253 3HD1 ILE 31 3HD1 ILE 31 3.225 -0.059 -4.642 254 H GLN 32 H GLN 32 6.101 -3.876 -6.427 255 HA GLN 32 HA GLN 32 5.001 -6.221 -7.799 256 1HB GLN 32 2HB GLN 32 7.482 -4.493 -8.102 257 2HB GLN 32 1HB GLN 32 7.116 -5.825 -9.199 258 1HG GLN 32 2HG GLN 32 5.034 -4.801 -9.857 259 2HG GLN 32 1HG GLN 32 5.186 -3.555 -8.626 260 1HE2 GLN 32 1HE2 GLN 32 6.572 -4.710 -11.720 261 2HE2 GLN 32 2HE2 GLN 32 7.326 -3.241 -12.111 262 H SER 33 H SER 33 8.000 -5.581 -5.917 263 HA SER 33 HA SER 33 8.976 -8.324 -5.914 264 1HB SER 33 2HB SER 33 10.407 -7.327 -4.020 265 2HB SER 33 1HB SER 33 10.571 -6.619 -5.620 266 HG SER 33 HG SER 33 8.933 -5.647 -3.503 267 H LEU 34 H LEU 34 6.770 -6.512 -3.904 268 HA LEU 34 HA LEU 34 6.749 -8.350 -1.629 269 1HB LEU 34 2HB LEU 34 6.462 -5.861 -1.610 270 2HB LEU 34 1HB LEU 34 4.947 -6.055 -2.478 271 HG LEU 34 HG LEU 34 4.182 -7.498 -0.518 272 1HD1 LEU 34 2HD1 LEU 34 6.727 -6.325 0.585 273 2HD1 LEU 34 1HD1 LEU 34 5.414 -6.902 1.612 274 3HD1 LEU 34 3HD1 LEU 34 6.245 -8.023 0.534 275 1HD2 LEU 34 1HD2 LEU 34 3.677 -5.017 -0.965 276 2HD2 LEU 34 3HD2 LEU 34 3.476 -5.584 0.689 277 3HD2 LEU 34 2HD2 LEU 34 4.912 -4.672 0.244 278 H LYS 35 H LYS 35 4.410 -7.520 -4.270 279 HA LYS 35 HA LYS 35 2.429 -9.488 -3.517 280 1HB LYS 35 2HB LYS 35 2.980 -7.711 -5.873 281 2HB LYS 35 1HB LYS 35 1.874 -9.031 -6.127 282 1HG LYS 35 2HG LYS 35 1.049 -7.984 -3.713 283 2HG LYS 35 1HG LYS 35 1.446 -6.570 -4.690 284 1HD LYS 35 2HD LYS 35 -0.213 -6.999 -6.224 285 2HD LYS 35 1HD LYS 35 -0.100 -8.747 -6.017 286 1HE LYS 35 2HE LYS 35 -0.979 -7.406 -3.559 287 2HE LYS 35 1HE LYS 35 -2.083 -7.127 -4.915 288 1HZ LYS 35 3HZ LYS 35 -1.024 -9.781 -4.072 289 2HZ LYS 35 2HZ LYS 35 -2.594 -9.211 -3.769 290 3HZ LYS 35 1HZ LYS 35 -2.092 -9.507 -5.365 291 H ASP 36 H ASP 36 5.342 -9.633 -5.540 292 HA ASP 36 HA ASP 36 4.751 -12.318 -6.591 293 1HB ASP 36 2HB ASP 36 5.997 -10.493 -7.801 294 2HB ASP 36 1HB ASP 36 7.304 -10.673 -6.631 295 H ASP 37 H ASP 37 7.092 -10.924 -4.198 296 HA ASP 37 HA ASP 37 7.681 -13.715 -3.260 297 1HB ASP 37 2HB ASP 37 9.449 -12.055 -4.228 298 2HB ASP 37 1HB ASP 37 9.331 -11.268 -2.653 299 HA PRO 38 HA PRO 38 5.350 -12.317 0.354 300 1HB PRO 38 2HB PRO 38 5.191 -14.770 1.547 301 2HB PRO 38 1HB PRO 38 4.151 -14.276 0.196 302 1HG PRO 38 2HG PRO 38 6.601 -15.962 0.158 303 2HG PRO 38 1HG PRO 38 5.068 -16.174 -0.704 304 1HD PRO 38 1HD PRO 38 7.277 -15.152 -1.880 305 2HD PRO 38 2HD PRO 38 5.626 -14.689 -2.341 306 H SER 39 H SER 39 8.160 -14.560 0.693 307 HA SER 39 HA SER 39 8.704 -13.955 3.451 308 1HB SER 39 2HB SER 39 10.736 -15.204 3.059 309 2HB SER 39 1HB SER 39 9.458 -15.949 2.109 310 HG SER 39 HG SER 39 10.312 -15.092 0.283 311 H GLN 40 H GLN 40 9.704 -12.283 0.483 312 HA GLN 40 HA GLN 40 11.822 -10.708 1.750 313 1HB GLN 40 2HB GLN 40 10.674 -11.183 -0.875 314 2HB GLN 40 1HB GLN 40 10.907 -9.460 -0.615 315 1HG GLN 40 2HG GLN 40 13.058 -11.532 -0.120 316 2HG GLN 40 1HG GLN 40 12.888 -10.636 -1.626 317 1HE2 GLN 40 1HE2 GLN 40 12.637 -8.058 -1.122 318 2HE2 GLN 40 2HE2 GLN 40 13.772 -7.462 -0.011 319 H SER 41 H SER 41 8.396 -10.445 1.907 320 HA SER 41 HA SER 41 7.840 -7.740 1.542 321 1HB SER 41 2HB SER 41 5.943 -8.176 3.100 322 2HB SER 41 1HB SER 41 6.183 -9.505 1.972 323 HG SER 41 HG SER 41 6.542 -10.747 3.625 324 H ALA 42 H ALA 42 8.912 -9.122 4.757 325 HA ALA 42 HA ALA 42 8.836 -6.612 6.150 326 1HB ALA 42 1HB ALA 42 10.777 -8.909 6.393 327 2HB ALA 42 2HB ALA 42 9.203 -8.815 7.194 328 3HB ALA 42 3HB ALA 42 10.486 -7.675 7.618 329 H ASN 43 H ASN 43 11.552 -8.208 4.432 330 HA ASN 43 HA ASN 43 13.557 -6.207 4.723 331 1HB ASN 43 2HB ASN 43 12.872 -8.403 2.837 332 2HB ASN 43 1HB ASN 43 14.030 -7.197 2.260 333 1HD2 ASN 43 1HD2 ASN 43 15.866 -6.724 4.009 334 2HD2 ASN 43 2HD2 ASN 43 16.478 -8.084 4.817 335 H LEU 44 H LEU 44 10.921 -6.623 2.377 336 HA LEU 44 HA LEU 44 11.591 -4.461 0.628 337 1HB LEU 44 2HB LEU 44 9.107 -6.004 1.293 338 2HB LEU 44 1HB LEU 44 9.076 -4.686 0.116 339 HG LEU 44 HG LEU 44 11.043 -6.968 0.047 340 1HD1 LEU 44 2HD1 LEU 44 8.506 -7.413 -0.299 341 2HD1 LEU 44 1HD1 LEU 44 8.756 -6.613 -1.851 342 3HD1 LEU 44 3HD1 LEU 44 9.666 -8.077 -1.457 343 1HD2 LEU 44 1HD2 LEU 44 10.840 -4.372 -1.210 344 2HD2 LEU 44 3HD2 LEU 44 12.107 -5.603 -1.362 345 3HD2 LEU 44 2HD2 LEU 44 10.702 -5.669 -2.444 346 H LEU 45 H LEU 45 9.511 -4.649 3.520 347 HA LEU 45 HA LEU 45 8.811 -1.820 3.309 348 1HB LEU 45 2HB LEU 45 7.419 -3.248 4.592 349 2HB LEU 45 1HB LEU 45 8.774 -3.843 5.550 350 HG LEU 45 HG LEU 45 9.068 -1.705 6.597 351 1HD1 LEU 45 2HD1 LEU 45 7.021 -0.730 4.575 352 2HD1 LEU 45 1HD1 LEU 45 7.488 0.205 5.993 353 3HD1 LEU 45 3HD1 LEU 45 8.691 -0.177 4.760 354 1HD2 LEU 45 3HD2 LEU 45 7.280 -3.198 7.433 355 2HD2 LEU 45 2HD2 LEU 45 6.946 -1.497 7.765 356 3HD2 LEU 45 1HD2 LEU 45 6.110 -2.322 6.446 357 H ALA 46 H ALA 46 11.323 -3.695 5.077 358 HA ALA 46 HA ALA 46 12.613 -1.538 6.469 359 1HB ALA 46 2HB ALA 46 13.422 -4.165 5.236 360 2HB ALA 46 1HB ALA 46 14.680 -3.079 5.839 361 3HB ALA 46 3HB ALA 46 13.436 -3.682 6.939 362 H GLU 47 H GLU 47 13.258 -2.804 3.141 363 HA GLU 47 HA GLU 47 15.250 -0.797 2.570 364 1HB GLU 47 2HB GLU 47 15.064 -1.631 0.245 365 2HB GLU 47 1HB GLU 47 15.243 -2.939 1.399 366 1HG GLU 47 2HG GLU 47 12.726 -3.131 1.308 367 2HG GLU 47 1HG GLU 47 12.819 -2.074 -0.100 368 H ALA 48 H ALA 48 11.684 -1.009 2.072 369 HA ALA 48 HA ALA 48 11.451 1.433 0.568 370 1HB ALA 48 3HB ALA 48 9.787 -0.392 0.886 371 2HB ALA 48 2HB ALA 48 9.620 0.097 2.580 372 3HB ALA 48 1HB ALA 48 9.124 1.190 1.277 373 H LYS 49 H LYS 49 11.556 0.680 4.056 374 HA LYS 49 HA LYS 49 11.010 3.385 4.975 375 1HB LYS 49 2HB LYS 49 11.675 0.698 6.009 376 2HB LYS 49 1HB LYS 49 12.224 2.013 7.034 377 1HG LYS 49 2HG LYS 49 10.074 2.781 7.438 378 2HG LYS 49 1HG LYS 49 9.473 2.206 5.882 379 1HD LYS 49 2HD LYS 49 8.499 0.706 7.366 380 2HD LYS 49 1HD LYS 49 9.952 -0.157 6.853 381 1HE LYS 49 2HE LYS 49 11.127 0.497 8.852 382 2HE LYS 49 1HE LYS 49 9.815 1.598 9.317 383 1HZ LYS 49 3HZ LYS 49 9.543 -1.351 8.973 384 2HZ LYS 49 2HZ LYS 49 9.628 -0.549 10.466 385 3HZ LYS 49 1HZ LYS 49 8.303 -0.286 9.435 386 H LYS 50 H LYS 50 13.791 1.397 4.235 387 HA LYS 50 HA LYS 50 15.956 3.070 5.102 388 1HB LYS 50 2HB LYS 50 16.409 0.798 4.609 389 2HB LYS 50 1HB LYS 50 15.403 0.831 3.179 390 1HG LYS 50 2HG LYS 50 17.287 2.508 2.310 391 2HG LYS 50 1HG LYS 50 18.258 1.618 3.486 392 1HD LYS 50 2HD LYS 50 16.503 0.203 1.447 393 2HD LYS 50 1HD LYS 50 18.182 0.643 1.103 394 1HE LYS 50 2HE LYS 50 18.874 -0.639 3.175 395 2HE LYS 50 1HE LYS 50 17.196 -1.204 3.311 396 1HZ LYS 50 3HZ LYS 50 17.350 -2.020 1.011 397 2HZ LYS 50 2HZ LYS 50 18.984 -1.555 0.953 398 3HZ LYS 50 1HZ LYS 50 18.483 -2.776 2.020 399 H LEU 51 H LEU 51 13.990 2.819 2.136 400 HA LEU 51 HA LEU 51 15.395 4.846 0.587 401 1HB LEU 51 2HB LEU 51 12.976 3.143 0.457 402 2HB LEU 51 1HB LEU 51 12.826 4.673 -0.394 403 HG LEU 51 HG LEU 51 14.473 4.132 -1.932 404 1HD1 LEU 51 3HD1 LEU 51 15.576 2.404 0.257 405 2HD1 LEU 51 2HD1 LEU 51 15.984 2.031 -1.420 406 3HD1 LEU 51 1HD1 LEU 51 16.404 3.608 -0.737 407 1HD2 LEU 51 1HD2 LEU 51 12.988 1.710 -1.006 408 2HD2 LEU 51 3HD2 LEU 51 12.799 2.636 -2.497 409 3HD2 LEU 51 2HD2 LEU 51 14.178 1.549 -2.304 410 H ASN 52 H ASN 52 12.580 4.790 2.740 411 HA ASN 52 HA ASN 52 11.476 7.335 2.264 412 1HB ASN 52 2HB ASN 52 10.599 5.408 3.642 413 2HB ASN 52 1HB ASN 52 11.718 5.891 4.916 414 1HD2 ASN 52 1HD2 ASN 52 10.960 7.442 6.356 415 2HD2 ASN 52 2HD2 ASN 52 9.610 8.434 6.087 416 H ASP 53 H ASP 53 14.139 6.376 4.461 417 HA ASP 53 HA ASP 53 14.571 9.140 5.409 418 1HB ASP 53 2HB ASP 53 14.893 7.084 6.784 419 2HB ASP 53 1HB ASP 53 16.236 6.630 5.734 420 H ALA 54 H ALA 54 16.283 6.828 3.244 421 HA ALA 54 HA ALA 54 18.555 8.484 2.652 422 1HB ALA 54 2HB ALA 54 17.146 6.428 0.913 423 2HB ALA 54 1HB ALA 54 18.837 6.918 0.788 424 3HB ALA 54 3HB ALA 54 18.276 6.032 2.208 425 H GLN 55 H GLN 55 15.477 8.028 0.867 426 HA GLN 55 HA GLN 55 15.986 10.115 -1.096 427 1HB GLN 55 2HB GLN 55 13.461 8.696 -0.203 428 2HB GLN 55 1HB GLN 55 13.574 9.734 -1.620 429 1HG GLN 55 2HG GLN 55 15.380 8.226 -2.515 430 2HG GLN 55 1HG GLN 55 15.089 7.137 -1.156 431 1HE2 GLN 55 1HE2 GLN 55 12.425 6.892 -0.914 432 2HE2 GLN 55 2HE2 GLN 55 11.686 6.402 -2.362 433 H ALA 56 H ALA 56 14.656 10.069 2.172 434 HA ALA 56 HA ALA 56 12.983 12.339 2.219 435 1HB ALA 56 3HB ALA 56 14.428 12.375 4.619 436 2HB ALA 56 1HB ALA 56 14.454 10.685 4.110 437 3HB ALA 56 2HB ALA 56 12.916 11.521 4.320 438 HA PRO 57 HA PRO 57 15.592 15.809 1.692 439 1HB PRO 57 2HB PRO 57 14.171 17.690 3.074 440 2HB PRO 57 1HB PRO 57 13.653 17.054 1.500 441 1HG PRO 57 2HG PRO 57 12.728 16.316 4.228 442 2HG PRO 57 1HG PRO 57 11.789 16.538 2.743 443 1HD PRO 57 1HD PRO 57 12.483 14.100 3.721 444 2HD PRO 57 2HD PRO 57 12.246 14.422 1.988 445 H LYS 58 H LYS 58 17.280 16.857 2.784 446 HA LYS 58 HA LYS 58 17.391 17.178 5.677 447 1HB LYS 58 2HB LYS 58 19.241 15.532 6.029 448 2HB LYS 58 1HB LYS 58 17.731 14.765 5.557 449 1HG LYS 58 2HG LYS 58 18.577 14.717 3.181 450 2HG LYS 58 1HG LYS 58 20.124 15.325 3.771 451 1HD LYS 58 2HD LYS 58 20.646 13.120 3.983 452 2HD LYS 58 1HD LYS 58 19.719 13.231 5.478 453 1HE LYS 58 2HE LYS 58 18.373 12.569 2.844 454 2HE LYS 58 1HE LYS 58 19.084 11.308 3.865 455 1HZ LYS 58 1HZ LYS 58 17.781 12.387 5.753 456 2HZ LYS 58 3HZ LYS 58 16.906 13.205 4.548 457 3HZ LYS 58 2HZ LYS 58 16.884 11.509 4.611 458 H1 VAL 1 1H VAL 1 4.073 -13.872 -15.657 459 H2 VAL 1 3H VAL 1 3.423 -13.722 -14.098 460 H3 VAL 1 2H VAL 1 2.949 -15.011 -15.098 461 HA VAL 1 HA VAL 1 1.777 -13.570 -16.580 462 HB VAL 1 HB VAL 1 1.321 -13.006 -13.621 463 1HG1 VAL 1 1HG1 VAL 1 -0.390 -12.374 -16.039 464 2HG1 VAL 1 3HG1 VAL 1 -1.069 -12.530 -14.418 465 3HG1 VAL 1 2HG1 VAL 1 0.125 -11.278 -14.756 466 1HG2 VAL 1 2HG2 VAL 1 0.311 -15.070 -15.585 467 2HG2 VAL 1 1HG2 VAL 1 1.035 -15.325 -13.998 468 3HG2 VAL 1 3HG2 VAL 1 -0.601 -14.680 -14.127 469 H ASP 2 H ASP 2 1.838 -11.631 -17.656 470 HA ASP 2 HA ASP 2 3.665 -9.497 -16.726 471 1HB ASP 2 2HB ASP 2 1.968 -9.883 -19.220 472 2HB ASP 2 1HB ASP 2 3.105 -8.557 -18.992 473 H ASN 3 H ASN 3 2.990 -7.304 -16.358 474 HA ASN 3 HA ASN 3 1.604 -5.614 -15.496 475 1HB ASN 3 2HB ASN 3 -0.289 -7.052 -17.392 476 2HB ASN 3 1HB ASN 3 -0.651 -5.498 -16.648 477 1HD2 ASN 3 1HD2 ASN 3 1.090 -7.039 -19.240 478 2HD2 ASN 3 2HD2 ASN 3 1.838 -5.639 -19.841 479 H LYS 4 H LYS 4 1.938 -7.465 -13.596 480 HA LYS 4 HA LYS 4 -0.447 -8.803 -12.637 481 1HB LYS 4 2HB LYS 4 2.192 -7.997 -11.393 482 2HB LYS 4 1HB LYS 4 0.979 -8.917 -10.510 483 1HG LYS 4 2HG LYS 4 1.043 -10.645 -12.324 484 2HG LYS 4 1HG LYS 4 2.364 -9.748 -13.075 485 1HD LYS 4 2HD LYS 4 3.688 -9.975 -10.988 486 2HD LYS 4 1HD LYS 4 2.379 -10.920 -10.276 487 1HE LYS 4 2HE LYS 4 2.646 -12.470 -12.348 488 2HE LYS 4 1HE LYS 4 4.215 -11.673 -12.557 489 1HZ LYS 4 1HZ LYS 4 4.755 -12.197 -10.254 490 2HZ LYS 4 3HZ LYS 4 3.255 -12.967 -10.050 491 3HZ LYS 4 2HZ LYS 4 4.405 -13.617 -11.115 492 H PHE 5 H PHE 5 -1.329 -8.290 -10.372 493 HA PHE 5 HA PHE 5 -2.614 -5.752 -10.319 494 1HB PHE 5 2HB PHE 5 -2.274 -8.075 -8.462 495 2HB PHE 5 1HB PHE 5 -3.082 -6.627 -7.895 496 HD1 PHE 5 HD1 PHE 5 -3.487 -9.682 -9.677 497 HD2 PHE 5 HD2 PHE 5 -4.979 -5.662 -9.420 498 HE1 PHE 5 HE1 PHE 5 -5.562 -10.375 -10.843 499 HE2 PHE 5 HE2 PHE 5 -7.050 -6.355 -10.587 500 HZ PHE 5 HZ PHE 5 -7.344 -8.712 -11.298 501 H ASN 6 H ASN 6 0.524 -6.611 -9.100 502 HA ASN 6 HA ASN 6 0.828 -4.822 -6.927 503 1HB ASN 6 2HB ASN 6 3.317 -4.721 -7.902 504 2HB ASN 6 1HB ASN 6 2.692 -6.154 -7.108 505 1HD2 ASN 6 1HD2 ASN 6 3.058 -4.754 -10.437 506 2HD2 ASN 6 2HD2 ASN 6 3.241 -6.260 -11.189 507 H LYS 7 H LYS 7 1.010 -4.145 -10.372 508 HA LYS 7 HA LYS 7 1.926 -1.419 -10.232 509 1HB LYS 7 2HB LYS 7 1.842 -2.947 -12.244 510 2HB LYS 7 1HB LYS 7 0.088 -2.758 -12.239 511 1HG LYS 7 2HG LYS 7 0.303 -0.355 -12.620 512 2HG LYS 7 1HG LYS 7 2.060 -0.464 -12.499 513 1HD LYS 7 2HD LYS 7 1.494 -0.415 -14.849 514 2HD LYS 7 1HD LYS 7 2.024 -2.049 -14.462 515 1HE LYS 7 2HE LYS 7 -0.860 -1.739 -14.045 516 2HE LYS 7 1HE LYS 7 -0.389 -1.370 -15.713 517 1HZ LYS 7 3HZ LYS 7 0.530 -3.779 -14.220 518 2HZ LYS 7 2HZ LYS 7 -0.773 -3.774 -15.309 519 3HZ LYS 7 1HZ LYS 7 0.796 -3.432 -15.862 520 H GLU 8 H GLU 8 -1.259 -2.895 -10.102 521 HA GLU 8 HA GLU 8 -2.794 -0.465 -10.077 522 1HB GLU 8 2HB GLU 8 -3.181 -3.363 -9.547 523 2HB GLU 8 1HB GLU 8 -4.377 -2.284 -8.830 524 1HG GLU 8 2HG GLU 8 -5.057 -1.456 -10.923 525 2HG GLU 8 1HG GLU 8 -3.594 -2.027 -11.730 526 H LEU 9 H LEU 9 -1.263 -2.345 -7.481 527 HA LEU 9 HA LEU 9 -2.581 -0.847 -5.368 528 1HB LEU 9 2HB LEU 9 0.077 -2.212 -5.037 529 2HB LEU 9 1HB LEU 9 -1.161 -1.916 -3.873 530 HG LEU 9 HG LEU 9 -1.812 -3.686 -6.188 531 1HD1 LEU 9 1HD1 LEU 9 0.184 -4.181 -4.113 532 2HD1 LEU 9 3HD1 LEU 9 -1.141 -5.340 -4.008 533 3HD1 LEU 9 2HD1 LEU 9 -0.219 -5.192 -5.506 534 1HD2 LEU 9 3HD2 LEU 9 -2.738 -3.460 -3.299 535 2HD2 LEU 9 2HD2 LEU 9 -3.626 -2.884 -4.714 536 3HD2 LEU 9 1HD2 LEU 9 -3.367 -4.618 -4.469 537 H SER 10 H SER 10 0.179 -0.219 -7.428 538 HA SER 10 HA SER 10 1.520 1.690 -5.716 539 1HB SER 10 2HB SER 10 2.707 0.874 -7.563 540 2HB SER 10 1HB SER 10 1.369 1.101 -8.666 541 HG SER 10 HG SER 10 1.931 3.135 -8.918 542 H VAL 11 H VAL 11 -1.018 1.956 -8.265 543 HA VAL 11 HA VAL 11 -1.449 4.835 -7.717 544 HB VAL 11 HB VAL 11 -3.041 2.910 -9.448 545 1HG1 VAL 11 2HG1 VAL 11 -2.845 5.883 -9.153 546 2HG1 VAL 11 1HG1 VAL 11 -3.162 5.219 -10.758 547 3HG1 VAL 11 3HG1 VAL 11 -4.264 4.873 -9.425 548 1HG2 VAL 11 2HG2 VAL 11 -0.555 4.517 -10.146 549 2HG2 VAL 11 1HG2 VAL 11 -0.664 2.753 -10.066 550 3HG2 VAL 11 3HG2 VAL 11 -1.552 3.643 -11.310 551 H ALA 12 H ALA 12 -3.537 1.903 -7.605 552 HA ALA 12 HA ALA 12 -5.742 3.028 -6.210 553 1HB ALA 12 1HB ALA 12 -5.425 0.757 -7.454 554 2HB ALA 12 2HB ALA 12 -6.479 0.791 -6.040 555 3HB ALA 12 3HB ALA 12 -4.833 0.165 -5.893 556 H GLY 13 H GLY 13 -2.913 1.339 -4.953 557 1HA GLY 13 1HA GLY 13 -2.068 1.097 -2.806 558 2HA GLY 13 2HA GLY 13 -3.697 1.393 -2.208 559 H ARG 14 H ARG 14 -1.193 3.369 -3.882 560 HA ARG 14 HA ARG 14 -0.596 4.986 -1.667 561 1HB ARG 14 2HB ARG 14 0.198 4.861 -4.282 562 2HB ARG 14 1HB ARG 14 -0.557 6.444 -4.236 563 1HG ARG 14 2HG ARG 14 1.696 5.411 -2.495 564 2HG ARG 14 1HG ARG 14 1.779 6.715 -3.671 565 1HD ARG 14 2HD ARG 14 0.553 8.194 -2.272 566 2HD ARG 14 1HD ARG 14 -0.047 6.862 -1.265 567 HE ARG 14 HE ARG 14 2.267 6.527 -0.448 568 1HH1 ARG 14 1HH1 ARG 14 3.898 7.879 -2.471 569 2HH1 ARG 14 2HH1 ARG 14 4.245 9.415 -1.752 570 1HH2 ARG 14 1HH2 ARG 14 1.703 9.170 0.622 571 2HH2 ARG 14 2HH2 ARG 14 2.991 10.152 0.012 572 H GLU 15 H GLU 15 -3.281 5.480 -4.015 573 HA GLU 15 HA GLU 15 -4.049 8.092 -2.978 574 1HB GLU 15 2HB GLU 15 -5.433 5.937 -4.581 575 2HB GLU 15 1HB GLU 15 -6.176 7.502 -4.256 576 1HG GLU 15 2HG GLU 15 -4.250 8.625 -5.348 577 2HG GLU 15 1HG GLU 15 -3.533 7.053 -5.691 578 H ILE 16 H ILE 16 -5.167 4.749 -2.338 579 HA ILE 16 HA ILE 16 -7.238 5.291 -0.399 580 HB ILE 16 HB ILE 16 -5.380 2.960 -0.974 581 1HG1 ILE 16 2HG1 ILE 16 -8.351 3.296 -1.577 582 2HG1 ILE 16 1HG1 ILE 16 -7.089 3.733 -2.720 583 1HG2 ILE 16 3HG2 ILE 16 -7.623 3.216 1.034 584 2HG2 ILE 16 2HG2 ILE 16 -7.365 1.664 0.231 585 3HG2 ILE 16 1HG2 ILE 16 -6.071 2.386 1.192 586 1HD1 ILE 16 1HD1 ILE 16 -6.257 1.264 -2.249 587 2HD1 ILE 16 3HD1 ILE 16 -7.937 1.024 -1.768 588 3HD1 ILE 16 2HD1 ILE 16 -7.553 1.570 -3.403 589 H VAL 17 H VAL 17 -3.782 4.641 -0.113 590 HA VAL 17 HA VAL 17 -3.648 4.404 2.742 591 HB VAL 17 HB VAL 17 -2.135 3.599 0.849 592 1HG1 VAL 17 3HG1 VAL 17 -1.184 6.394 1.044 593 2HG1 VAL 17 2HG1 VAL 17 -0.129 5.080 0.521 594 3HG1 VAL 17 1HG1 VAL 17 -1.610 5.423 -0.357 595 1HG2 VAL 17 2HG2 VAL 17 -0.903 4.828 3.273 596 2HG2 VAL 17 1HG2 VAL 17 -1.621 3.209 3.157 597 3HG2 VAL 17 3HG2 VAL 17 -0.151 3.602 2.260 598 H THR 18 H THR 18 -3.507 7.266 0.612 599 HA THR 18 HA THR 18 -3.288 8.897 3.096 600 HB THR 18 HB THR 18 -1.030 8.543 2.305 601 HG1 THR 18 HG1 THR 18 -1.090 10.543 3.030 602 1HG2 THR 18 2HG2 THR 18 -2.189 9.308 -0.352 603 2HG2 THR 18 1HG2 THR 18 -0.485 9.623 -0.023 604 3HG2 THR 18 3HG2 THR 18 -1.108 7.974 0.064 605 H LEU 19 H LEU 19 -5.677 8.521 1.233 606 HA LEU 19 HA LEU 19 -5.934 10.921 -0.382 607 1HB LEU 19 2HB LEU 19 -8.422 10.457 -0.094 608 2HB LEU 19 1HB LEU 19 -7.459 9.160 -0.784 609 HG LEU 19 HG LEU 19 -7.603 8.984 2.131 610 1HD1 LEU 19 1HD1 LEU 19 -10.070 9.315 0.487 611 2HD1 LEU 19 3HD1 LEU 19 -10.075 8.096 1.758 612 3HD1 LEU 19 2HD1 LEU 19 -9.758 9.780 2.159 613 1HD2 LEU 19 2HD2 LEU 19 -8.214 7.215 -0.247 614 2HD2 LEU 19 1HD2 LEU 19 -6.857 7.094 0.863 615 3HD2 LEU 19 3HD2 LEU 19 -8.478 6.674 1.410 616 HA PRO 20 HA PRO 20 -6.112 14.249 2.334 617 1HB PRO 20 2HB PRO 20 -8.234 15.752 1.441 618 2HB PRO 20 1HB PRO 20 -6.656 15.642 0.632 619 1HG PRO 20 2HG PRO 20 -9.175 14.135 0.063 620 2HG PRO 20 1HG PRO 20 -8.068 14.937 -1.064 621 1HD PRO 20 1HD PRO 20 -7.969 12.300 -0.722 622 2HD PRO 20 2HD PRO 20 -6.472 13.246 -0.909 623 H ASN 21 H ASN 21 -9.212 12.449 2.391 624 HA ASN 21 HA ASN 21 -9.721 13.768 5.054 625 1HB ASN 21 2HB ASN 21 -11.652 12.756 2.971 626 2HB ASN 21 1HB ASN 21 -12.126 13.368 4.539 627 1HD2 ASN 21 1HD2 ASN 21 -13.067 14.578 2.167 628 2HD2 ASN 21 2HD2 ASN 21 -12.391 16.129 2.035 629 H LEU 22 H LEU 22 -8.480 10.901 4.205 630 HA LEU 22 HA LEU 22 -10.395 9.196 5.734 631 1HB LEU 22 2HB LEU 22 -9.049 8.663 3.511 632 2HB LEU 22 1HB LEU 22 -7.807 8.202 4.658 633 HG LEU 22 HG LEU 22 -9.950 6.958 5.761 634 1HD1 LEU 22 1HD1 LEU 22 -11.249 7.768 3.651 635 2HD1 LEU 22 3HD1 LEU 22 -10.357 6.498 2.812 636 3HD1 LEU 22 2HD1 LEU 22 -11.429 6.088 4.151 637 1HD2 LEU 22 2HD2 LEU 22 -7.822 6.154 3.821 638 2HD2 LEU 22 1HD2 LEU 22 -8.089 5.630 5.491 639 3HD2 LEU 22 3HD2 LEU 22 -9.086 4.975 4.192 640 H ASN 23 H ASN 23 -9.585 7.838 7.443 641 HA ASN 23 HA ASN 23 -7.379 9.119 9.034 642 1HB ASN 23 2HB ASN 23 -8.505 8.237 11.008 643 2HB ASN 23 1HB ASN 23 -9.654 9.139 10.031 644 1HD2 ASN 23 1HD2 ASN 23 -10.663 7.285 11.874 645 2HD2 ASN 23 2HD2 ASN 23 -11.296 5.943 11.051 646 H ASP 24 H ASP 24 -5.927 7.678 10.227 647 HA ASP 24 HA ASP 24 -4.683 5.756 8.651 648 1HB ASP 24 2HB ASP 24 -3.327 5.249 10.616 649 2HB ASP 24 1HB ASP 24 -3.616 6.974 10.461 650 HA PRO 25 HA PRO 25 -6.641 2.067 11.008 651 1HB PRO 25 2HB PRO 25 -9.230 2.321 11.871 652 2HB PRO 25 1HB PRO 25 -7.823 2.650 12.901 653 1HG PRO 25 2HG PRO 25 -9.595 4.549 11.455 654 2HG PRO 25 1HG PRO 25 -8.870 4.683 13.064 655 1HD PRO 25 1HD PRO 25 -7.902 5.967 10.875 656 2HD PRO 25 2HD PRO 25 -6.902 5.485 12.251 657 H GLN 26 H GLN 26 -9.007 4.148 9.192 658 HA GLN 26 HA GLN 26 -10.319 1.899 7.931 659 1HB GLN 26 2HB GLN 26 -10.173 4.861 7.276 660 2HB GLN 26 1HB GLN 26 -11.194 3.720 6.387 661 1HG GLN 26 2HG GLN 26 -12.158 3.010 8.643 662 2HG GLN 26 1HG GLN 26 -11.336 4.398 9.341 663 1HE2 GLN 26 1HE2 GLN 26 -12.052 6.593 8.544 664 2HE2 GLN 26 2HE2 GLN 26 -13.610 6.766 7.900 665 H LYS 27 H LYS 27 -7.706 4.107 6.754 666 HA LYS 27 HA LYS 27 -7.310 2.808 4.223 667 1HB LYS 27 2HB LYS 27 -4.895 3.637 4.529 668 2HB LYS 27 1HB LYS 27 -6.169 4.844 4.446 669 1HG LYS 27 2HG LYS 27 -6.112 4.778 7.032 670 2HG LYS 27 1HG LYS 27 -4.595 3.914 6.840 671 1HD LYS 27 2HD LYS 27 -4.003 6.218 7.024 672 2HD LYS 27 1HD LYS 27 -3.861 5.809 5.321 673 1HE LYS 27 2HE LYS 27 -5.590 7.175 4.700 674 2HE LYS 27 1HE LYS 27 -6.534 6.806 6.151 675 1HZ LYS 27 2HZ LYS 27 -4.946 8.129 7.451 676 2HZ LYS 27 1HZ LYS 27 -4.117 8.537 6.025 677 3HZ LYS 27 3HZ LYS 27 -5.710 9.065 6.260 678 H LYS 28 H LYS 28 -6.129 2.049 7.459 679 HA LYS 28 HA LYS 28 -4.142 0.122 6.826 680 1HB LYS 28 2HB LYS 28 -5.676 1.042 9.110 681 2HB LYS 28 1HB LYS 28 -5.644 -0.718 9.140 682 1HG LYS 28 2HG LYS 28 -3.139 0.767 8.572 683 2HG LYS 28 1HG LYS 28 -3.685 0.662 10.231 684 1HD LYS 28 2HD LYS 28 -3.502 -1.670 10.269 685 2HD LYS 28 1HD LYS 28 -3.551 -1.797 8.509 686 1HE LYS 28 2HE LYS 28 -1.311 -1.214 8.253 687 2HE LYS 28 1HE LYS 28 -1.265 -0.310 9.777 688 1HZ LYS 28 1HZ LYS 28 -1.736 -3.242 9.693 689 2HZ LYS 28 3HZ LYS 28 -0.178 -2.584 9.797 690 3HZ LYS 28 2HZ LYS 28 -1.306 -2.285 11.030 691 H ALA 29 H ALA 29 -7.594 -0.532 7.711 692 HA ALA 29 HA ALA 29 -7.591 -3.294 6.875 693 1HB ALA 29 1HB ALA 29 -10.055 -3.011 7.037 694 2HB ALA 29 2HB ALA 29 -9.846 -1.259 7.084 695 3HB ALA 29 3HB ALA 29 -9.242 -2.258 8.409 696 H PHE 30 H PHE 30 -8.203 -0.246 5.179 697 HA PHE 30 HA PHE 30 -9.353 -1.238 2.745 698 1HB PHE 30 2HB PHE 30 -8.313 1.214 3.892 699 2HB PHE 30 1HB PHE 30 -7.738 1.053 2.244 700 HD1 PHE 30 HD1 PHE 30 -9.370 0.601 0.413 701 HD2 PHE 30 HD2 PHE 30 -10.545 1.805 4.359 702 HE1 PHE 30 HE1 PHE 30 -11.606 1.304 -0.446 703 HE2 PHE 30 HE2 PHE 30 -12.754 2.503 3.509 704 HZ PHE 30 HZ PHE 30 -13.284 2.261 1.113 705 H ILE 31 H ILE 31 -5.989 -0.291 3.459 706 HA ILE 31 HA ILE 31 -4.930 -1.128 0.951 707 HB ILE 31 HB ILE 31 -3.838 -0.607 3.727 708 1HG1 ILE 31 2HG1 ILE 31 -4.033 0.914 1.170 709 2HG1 ILE 31 1HG1 ILE 31 -4.051 1.501 2.848 710 1HG2 ILE 31 3HG2 ILE 31 -2.528 -2.444 2.310 711 2HG2 ILE 31 2HG2 ILE 31 -1.899 -1.018 1.468 712 3HG2 ILE 31 1HG2 ILE 31 -1.673 -1.200 3.213 713 1HD1 ILE 31 1HD1 ILE 31 -1.593 0.453 1.486 714 2HD1 ILE 31 3HD1 ILE 31 -2.049 2.139 1.482 715 3HD1 ILE 31 2HD1 ILE 31 -1.700 1.346 3.015 716 H PHE 32 H PHE 32 -5.207 -2.746 4.145 717 HA PHE 32 HA PHE 32 -3.842 -5.156 3.442 718 1HB PHE 32 2HB PHE 32 -5.779 -4.282 5.577 719 2HB PHE 32 1HB PHE 32 -5.403 -5.999 5.431 720 HD1 PHE 32 HD1 PHE 32 -3.623 -6.781 6.876 721 HD2 PHE 32 HD2 PHE 32 -3.411 -2.714 5.261 722 HE1 PHE 32 HE1 PHE 32 -1.489 -6.378 7.989 723 HE2 PHE 32 HE2 PHE 32 -1.296 -2.416 6.436 724 HZ PHE 32 HZ PHE 32 -0.326 -4.254 7.743 725 H SER 33 H SER 33 -7.273 -4.130 2.902 726 HA SER 33 HA SER 33 -8.003 -6.800 1.848 727 1HB SER 33 2HB SER 33 -10.122 -5.641 1.262 728 2HB SER 33 1HB SER 33 -9.673 -5.356 2.936 729 HG SER 33 HG SER 33 -9.570 -3.319 2.492 730 H LEU 34 H LEU 34 -6.832 -3.695 0.595 731 HA LEU 34 HA LEU 34 -7.177 -4.128 -2.244 732 1HB LEU 34 2HB LEU 34 -6.779 -1.936 -1.370 733 2HB LEU 34 1HB LEU 34 -5.374 -2.447 -0.471 734 HG LEU 34 HG LEU 34 -4.381 -2.922 -2.818 735 1HD1 LEU 34 2HD1 LEU 34 -6.962 -1.932 -3.552 736 2HD1 LEU 34 1HD1 LEU 34 -5.772 -0.723 -4.043 737 3HD1 LEU 34 3HD1 LEU 34 -5.631 -2.388 -4.620 738 1HD2 LEU 34 3HD2 LEU 34 -3.785 -1.063 -1.167 739 2HD2 LEU 34 2HD2 LEU 34 -3.481 -0.698 -2.871 740 3HD2 LEU 34 1HD2 LEU 34 -4.906 -0.041 -2.071 741 H TRP 35 H TRP 35 -4.552 -4.880 0.047 742 HA TRP 35 HA TRP 35 -2.655 -5.963 -1.845 743 1HB TRP 35 2HB TRP 35 -2.200 -5.159 0.471 744 2HB TRP 35 1HB TRP 35 -3.059 -6.565 1.099 745 HD1 TRP 35 HD1 TRP 35 -1.654 -8.683 1.414 746 HE1 TRP 35 HE1 TRP 35 0.627 -9.498 0.596 747 HE3 TRP 35 HE3 TRP 35 -0.483 -4.897 -1.763 748 HZ2 TRP 35 HZ2 TRP 35 2.712 -8.627 -1.169 749 HZ3 TRP 35 HZ3 TRP 35 1.647 -4.921 -3.002 750 HH2 TRP 35 HH2 TRP 35 3.235 -6.761 -2.702 751 H ASP 36 H ASP 36 -5.161 -7.464 0.249 752 HA ASP 36 HA ASP 36 -4.579 -10.203 -0.433 753 1HB ASP 36 2HB ASP 36 -5.852 -9.121 1.580 754 2HB ASP 36 1HB ASP 36 -7.249 -9.144 0.508 755 H ASP 37 H ASP 37 -7.056 -7.867 -1.580 756 HA ASP 37 HA ASP 37 -7.437 -9.624 -3.945 757 1HB ASP 37 2HB ASP 37 -9.666 -8.089 -2.578 758 2HB ASP 37 1HB ASP 37 -9.820 -9.351 -3.789 759 HA PRO 38 HA PRO 38 -6.474 -5.258 -5.231 760 1HB PRO 38 2HB PRO 38 -4.739 -5.931 -7.211 761 2HB PRO 38 1HB PRO 38 -4.255 -5.665 -5.528 762 1HG PRO 38 2HG PRO 38 -4.786 -8.243 -6.948 763 2HG PRO 38 1HG PRO 38 -3.471 -7.831 -5.839 764 1HD PRO 38 1HD PRO 38 -5.605 -9.255 -5.038 765 2HD PRO 38 2HD PRO 38 -4.785 -8.097 -3.962 766 H SER 39 H SER 39 -7.938 -8.062 -6.584 767 HA SER 39 HA SER 39 -8.473 -7.232 -9.293 768 1HB SER 39 2HB SER 39 -9.050 -9.392 -7.679 769 2HB SER 39 1HB SER 39 -10.617 -8.608 -7.774 770 HG SER 39 HG SER 39 -10.724 -9.041 -9.855 771 H GLN 40 H GLN 40 -9.858 -6.477 -6.127 772 HA GLN 40 HA GLN 40 -11.926 -4.644 -7.232 773 1HB GLN 40 2HB GLN 40 -11.248 -4.993 -4.314 774 2HB GLN 40 1HB GLN 40 -12.813 -4.662 -5.038 775 1HG GLN 40 2HG GLN 40 -11.322 -7.296 -5.006 776 2HG GLN 40 1HG GLN 40 -12.809 -6.911 -4.156 777 1HE2 GLN 40 1HE2 GLN 40 -12.119 -8.939 -6.407 778 2HE2 GLN 40 2HE2 GLN 40 -13.327 -8.670 -7.571 779 H SER 41 H SER 41 -8.718 -4.206 -7.111 780 HA SER 41 HA SER 41 -8.109 -2.194 -5.233 781 1HB SER 41 2HB SER 41 -6.260 -1.667 -6.706 782 2HB SER 41 1HB SER 41 -6.487 -3.401 -6.582 783 HG SER 41 HG SER 41 -6.776 -3.421 -8.666 784 H ALA 42 H ALA 42 -9.494 -1.829 -8.527 785 HA ALA 42 HA ALA 42 -9.483 1.064 -8.588 786 1HB ALA 42 3HB ALA 42 -11.272 -1.014 -9.916 787 2HB ALA 42 2HB ALA 42 -11.197 0.685 -10.385 788 3HB ALA 42 1HB ALA 42 -9.782 -0.349 -10.587 789 H ASN 43 H ASN 43 -11.890 -1.372 -7.558 790 HA ASN 43 HA ASN 43 -13.937 0.446 -6.724 791 1HB ASN 43 2HB ASN 43 -14.112 -2.037 -7.238 792 2HB ASN 43 1HB ASN 43 -13.332 -2.340 -5.687 793 1HD2 ASN 43 1HD2 ASN 43 -16.152 -0.464 -6.996 794 2HD2 ASN 43 2HD2 ASN 43 -17.148 -0.774 -5.659 795 H LEU 44 H LEU 44 -11.097 -0.985 -5.062 796 HA LEU 44 HA LEU 44 -11.722 -0.133 -2.384 797 1HB LEU 44 2HB LEU 44 -9.398 -1.106 -3.959 798 2HB LEU 44 1HB LEU 44 -9.024 -0.267 -2.455 799 HG LEU 44 HG LEU 44 -11.222 -2.243 -2.309 800 1HD1 LEU 44 1HD1 LEU 44 -8.634 -2.935 -3.423 801 2HD1 LEU 44 3HD1 LEU 44 -8.894 -3.756 -1.880 802 3HD1 LEU 44 2HD1 LEU 44 -10.058 -3.959 -3.191 803 1HD2 LEU 44 3HD2 LEU 44 -8.823 -1.443 -0.623 804 2HD2 LEU 44 2HD2 LEU 44 -10.522 -1.012 -0.360 805 3HD2 LEU 44 1HD2 LEU 44 -9.993 -2.684 -0.150 806 H LEU 45 H LEU 45 -9.719 1.268 -4.899 807 HA LEU 45 HA LEU 45 -8.908 3.688 -3.658 808 1HB LEU 45 2HB LEU 45 -8.028 2.889 -5.800 809 2HB LEU 45 1HB LEU 45 -9.627 3.021 -6.534 810 HG LEU 45 HG LEU 45 -9.525 5.501 -5.793 811 1HD1 LEU 45 2HD1 LEU 45 -6.616 4.708 -5.680 812 2HD1 LEU 45 1HD1 LEU 45 -7.226 6.363 -5.642 813 3HD1 LEU 45 3HD1 LEU 45 -7.612 5.254 -4.325 814 1HD2 LEU 45 1HD2 LEU 45 -8.017 4.214 -8.046 815 2HD2 LEU 45 3HD2 LEU 45 -9.512 5.155 -8.085 816 3HD2 LEU 45 2HD2 LEU 45 -7.962 5.967 -7.841 817 H ALA 46 H ALA 46 -11.779 2.941 -5.638 818 HA ALA 46 HA ALA 46 -13.040 5.497 -5.595 819 1HB ALA 46 1HB ALA 46 -14.985 4.177 -6.276 820 2HB ALA 46 3HB ALA 46 -13.547 3.441 -6.993 821 3HB ALA 46 2HB ALA 46 -14.281 2.726 -5.553 822 H GLU 47 H GLU 47 -13.396 2.622 -3.524 823 HA GLU 47 HA GLU 47 -15.328 3.541 -1.663 824 1HB GLU 47 2HB GLU 47 -13.110 1.489 -1.731 825 2HB GLU 47 1HB GLU 47 -14.071 1.704 -0.269 826 1HG GLU 47 2HG GLU 47 -16.135 1.259 -1.532 827 2HG GLU 47 1HG GLU 47 -15.197 1.077 -3.012 828 H ALA 48 H ALA 48 -11.790 3.842 -1.748 829 HA ALA 48 HA ALA 48 -11.401 4.945 0.893 830 1HB ALA 48 3HB ALA 48 -9.448 4.107 -0.046 831 2HB ALA 48 2HB ALA 48 -9.869 4.629 -1.677 832 3HB ALA 48 1HB ALA 48 -9.240 5.802 -0.497 833 H LYS 49 H LYS 49 -11.543 6.484 -2.356 834 HA LYS 49 HA LYS 49 -11.408 9.213 -1.470 835 1HB LYS 49 2HB LYS 49 -12.606 7.887 -3.928 836 2HB LYS 49 1HB LYS 49 -12.386 9.630 -3.770 837 1HG LYS 49 2HG LYS 49 -9.952 9.277 -3.429 838 2HG LYS 49 1HG LYS 49 -10.184 7.543 -3.646 839 1HD LYS 49 2HD LYS 49 -11.150 8.016 -5.915 840 2HD LYS 49 1HD LYS 49 -10.719 9.713 -5.695 841 1HE LYS 49 2HE LYS 49 -8.559 7.695 -5.231 842 2HE LYS 49 1HE LYS 49 -9.045 7.999 -6.908 843 1HZ LYS 49 3HZ LYS 49 -8.786 10.379 -6.514 844 2HZ LYS 49 2HZ LYS 49 -8.305 10.083 -4.909 845 3HZ LYS 49 1HZ LYS 49 -7.332 9.565 -6.202 846 H LYS 50 H LYS 50 -14.266 7.168 -2.275 847 HA LYS 50 HA LYS 50 -16.282 9.136 -1.705 848 1HB LYS 50 2HB LYS 50 -16.234 6.104 -1.649 849 2HB LYS 50 1HB LYS 50 -17.716 7.039 -1.444 850 1HG LYS 50 2HG LYS 50 -17.337 8.123 -3.634 851 2HG LYS 50 1HG LYS 50 -15.862 7.178 -3.847 852 1HD LYS 50 2HD LYS 50 -17.210 5.089 -3.683 853 2HD LYS 50 1HD LYS 50 -18.675 6.068 -3.576 854 1HE LYS 50 2HE LYS 50 -16.830 6.612 -5.875 855 2HE LYS 50 1HE LYS 50 -17.807 5.135 -5.935 856 1HZ LYS 50 3HZ LYS 50 -18.855 7.871 -5.384 857 2HZ LYS 50 2HZ LYS 50 -19.018 7.034 -6.853 858 3HZ LYS 50 1HZ LYS 50 -19.782 6.450 -5.453 859 H LEU 51 H LEU 51 -14.678 6.724 0.393 860 HA LEU 51 HA LEU 51 -16.260 7.167 2.760 861 1HB LEU 51 2HB LEU 51 -14.732 5.234 2.226 862 2HB LEU 51 1HB LEU 51 -13.351 6.290 2.508 863 HG LEU 51 HG LEU 51 -15.529 5.866 4.569 864 1HD1 LEU 51 2HD1 LEU 51 -14.074 3.796 3.672 865 2HD1 LEU 51 1HD1 LEU 51 -12.932 4.450 4.845 866 3HD1 LEU 51 3HD1 LEU 51 -14.544 3.962 5.360 867 1HD2 LEU 51 3HD2 LEU 51 -13.055 7.404 4.411 868 2HD2 LEU 51 2HD2 LEU 51 -14.367 7.513 5.582 869 3HD2 LEU 51 1HD2 LEU 51 -13.074 6.330 5.808 870 H ASN 52 H ASN 52 -13.253 8.722 1.558 871 HA ASN 52 HA ASN 52 -12.528 10.253 3.815 872 1HB ASN 52 2HB ASN 52 -11.006 11.018 2.317 873 2HB ASN 52 1HB ASN 52 -11.735 9.896 1.197 874 1HD2 ASN 52 1HD2 ASN 52 -10.338 12.529 0.711 875 2HD2 ASN 52 2HD2 ASN 52 -11.454 13.479 -0.146 876 H ASP 53 H ASP 53 -15.135 10.824 1.465 877 HA ASP 53 HA ASP 53 -15.765 13.522 2.154 878 1HB ASP 53 2HB ASP 53 -16.482 12.180 0.135 879 2HB ASP 53 1HB ASP 53 -17.610 11.314 1.181 880 H ALA 54 H ALA 54 -16.696 10.397 3.608 881 HA ALA 54 HA ALA 54 -18.933 11.299 5.177 882 1HB ALA 54 1HB ALA 54 -17.980 8.951 4.524 883 2HB ALA 54 2HB ALA 54 -18.777 9.139 6.091 884 3HB ALA 54 3HB ALA 54 -17.015 9.125 5.993 885 H GLN 55 H GLN 55 -15.429 11.314 5.799 886 HA GLN 55 HA GLN 55 -15.763 12.287 8.576 887 1HB GLN 55 2HB GLN 55 -13.532 11.429 6.745 888 2HB GLN 55 1HB GLN 55 -13.154 12.250 8.245 889 1HG GLN 55 2HG GLN 55 -14.175 10.558 9.569 890 2HG GLN 55 1HG GLN 55 -14.985 9.854 8.171 891 1HE2 GLN 55 1HE2 GLN 55 -12.982 9.596 6.307 892 2HE2 GLN 55 2HE2 GLN 55 -11.753 8.583 6.896 893 H ALA 56 H ALA 56 -14.756 13.535 5.380 894 HA ALA 56 HA ALA 56 -14.992 16.328 6.408 895 1HB ALA 56 3HB ALA 56 -12.723 16.240 6.645 896 2HB ALA 56 1HB ALA 56 -12.720 16.436 4.892 897 3HB ALA 56 2HB ALA 56 -12.585 14.826 5.598 898 HA PRO 57 HA PRO 57 -16.726 16.966 2.362 899 1HB PRO 57 2HB PRO 57 -16.183 19.619 1.957 900 2HB PRO 57 1HB PRO 57 -17.431 19.050 3.083 901 1HG PRO 57 2HG PRO 57 -14.666 19.991 3.643 902 2HG PRO 57 1HG PRO 57 -16.162 20.281 4.545 903 1HD PRO 57 1HD PRO 57 -14.282 18.455 5.293 904 2HD PRO 57 2HD PRO 57 -16.008 18.300 5.687 905 H LYS 58 H LYS 58 -16.035 16.966 0.176 906 HA LYS 58 HA LYS 58 -13.227 16.472 -0.365 907 1HB LYS 58 2HB LYS 58 -15.653 16.923 -2.134 908 2HB LYS 58 1HB LYS 58 -14.077 16.440 -2.757 909 1HG LYS 58 2HG LYS 58 -14.142 14.434 -1.278 910 2HG LYS 58 1HG LYS 58 -15.763 14.898 -0.763 911 1HD LYS 58 2HD LYS 58 -16.451 14.853 -3.199 912 2HD LYS 58 1HD LYS 58 -14.878 14.150 -3.563 913 1HE LYS 58 2HE LYS 58 -16.809 12.923 -1.563 914 2HE LYS 58 1HE LYS 58 -16.735 12.440 -3.265 915 1HZ LYS 58 2HZ LYS 58 -14.281 12.121 -2.920 916 2HZ LYS 58 1HZ LYS 58 -14.551 12.302 -1.251 917 3HZ LYS 58 3HZ LYS 58 -15.267 11.016 -2.091 No H/Q in entry = 917 Start of MODEL 15 1 H1 VAL 1 1H VAL 1 -4.653 -19.511 10.374 2 H2 VAL 1 3H VAL 1 -5.224 -17.984 10.846 3 H3 VAL 1 2H VAL 1 -4.294 -18.141 9.440 4 HA VAL 1 HA VAL 1 -2.800 -17.273 11.022 5 HB VAL 1 HB VAL 1 -2.630 -18.462 13.289 6 1HG1 VAL 1 2HG1 VAL 1 -3.896 -16.293 12.774 7 2HG1 VAL 1 1HG1 VAL 1 -5.363 -17.271 12.817 8 3HG1 VAL 1 3HG1 VAL 1 -4.343 -17.145 14.251 9 1HG2 VAL 1 1HG2 VAL 1 -3.915 -20.519 12.438 10 2HG2 VAL 1 3HG2 VAL 1 -4.386 -19.900 14.022 11 3HG2 VAL 1 2HG2 VAL 1 -5.375 -19.545 12.606 12 H ASP 2 H ASP 2 -2.293 -18.857 8.867 13 HA ASP 2 HA ASP 2 -0.373 -20.943 9.864 14 1HB ASP 2 2HB ASP 2 -0.857 -22.153 7.785 15 2HB ASP 2 1HB ASP 2 -2.356 -21.804 8.635 16 H ASN 3 H ASN 3 -0.835 -18.299 7.482 17 HA ASN 3 HA ASN 3 2.106 -18.412 6.890 18 1HB ASN 3 2HB ASN 3 0.599 -18.925 4.999 19 2HB ASN 3 1HB ASN 3 -0.236 -17.391 5.241 20 1HD2 ASN 3 1HD2 ASN 3 3.107 -18.644 4.609 21 2HD2 ASN 3 2HD2 ASN 3 3.572 -17.315 3.660 22 H LYS 4 H LYS 4 3.095 -16.849 8.112 23 HA LYS 4 HA LYS 4 1.805 -14.439 9.084 24 1HB LYS 4 2HB LYS 4 4.038 -13.887 9.899 25 2HB LYS 4 1HB LYS 4 3.751 -15.604 10.155 26 1HG LYS 4 2HG LYS 4 5.052 -16.125 8.118 27 2HG LYS 4 1HG LYS 4 5.314 -14.404 7.845 28 1HD LYS 4 2HD LYS 4 6.060 -15.175 10.556 29 2HD LYS 4 1HD LYS 4 6.942 -16.111 9.349 30 1HE LYS 4 2HE LYS 4 8.317 -14.223 9.520 31 2HE LYS 4 1HE LYS 4 7.246 -13.719 8.200 32 1HZ LYS 4 3HZ LYS 4 5.784 -12.673 9.828 33 2HZ LYS 4 2HZ LYS 4 6.816 -13.144 11.094 34 3HZ LYS 4 1HZ LYS 4 7.345 -12.024 9.932 35 H PHE 5 H PHE 5 3.677 -15.185 6.174 36 HA PHE 5 HA PHE 5 4.500 -12.629 5.356 37 1HB PHE 5 2HB PHE 5 3.609 -15.031 3.743 38 2HB PHE 5 1HB PHE 5 4.460 -13.655 3.061 39 HD1 PHE 5 HD1 PHE 5 5.608 -16.291 2.730 40 HD2 PHE 5 HD2 PHE 5 5.999 -13.605 6.074 41 HE1 PHE 5 HE1 PHE 5 7.767 -17.343 3.333 42 HE2 PHE 5 HE2 PHE 5 8.159 -14.662 6.659 43 HZ PHE 5 HZ PHE 5 9.041 -16.530 5.296 44 H ASN 6 H ASN 6 1.238 -14.075 5.047 45 HA ASN 6 HA ASN 6 0.119 -12.356 3.094 46 1HB ASN 6 2HB ASN 6 -0.962 -14.342 4.159 47 2HB ASN 6 1HB ASN 6 -1.174 -13.407 5.639 48 1HD2 ASN 6 1HD2 ASN 6 -2.000 -13.222 2.113 49 2HD2 ASN 6 2HD2 ASN 6 -3.480 -12.430 2.364 50 H LYS 7 H LYS 7 0.101 -11.813 6.677 51 HA LYS 7 HA LYS 7 -0.807 -9.041 6.360 52 1HB LYS 7 2HB LYS 7 -1.552 -10.339 8.205 53 2HB LYS 7 1HB LYS 7 0.104 -10.673 8.737 54 1HG LYS 7 2HG LYS 7 -0.567 -8.941 10.162 55 2HG LYS 7 1HG LYS 7 0.207 -8.030 8.860 56 1HD LYS 7 2HD LYS 7 -1.823 -7.541 7.830 57 2HD LYS 7 1HD LYS 7 -2.693 -8.761 8.746 58 1HE LYS 7 2HE LYS 7 -1.928 -7.324 10.845 59 2HE LYS 7 1HE LYS 7 -1.801 -6.026 9.645 60 1HZ LYS 7 2HZ LYS 7 -4.062 -6.579 8.896 61 2HZ LYS 7 1HZ LYS 7 -4.181 -7.752 10.121 62 3HZ LYS 7 3HZ LYS 7 -4.041 -6.112 10.528 63 H GLU 8 H GLU 8 2.328 -10.615 6.660 64 HA GLU 8 HA GLU 8 3.882 -8.290 7.456 65 1HB GLU 8 2HB GLU 8 4.570 -10.826 5.929 66 2HB GLU 8 1HB GLU 8 5.757 -9.574 6.274 67 1HG GLU 8 2HG GLU 8 4.213 -11.199 8.310 68 2HG GLU 8 1HG GLU 8 5.937 -11.308 7.941 69 H GLN 9 H GLN 9 3.093 -9.825 4.334 70 HA GLN 9 HA GLN 9 4.255 -7.861 2.615 71 1HB GLN 9 2HB GLN 9 1.930 -9.783 2.310 72 2HB GLN 9 1HB GLN 9 2.562 -8.822 0.984 73 1HG GLN 9 2HG GLN 9 4.688 -9.936 1.086 74 2HG GLN 9 1HG GLN 9 4.233 -10.781 2.571 75 1HE2 GLN 9 1HE2 GLN 9 3.665 -10.647 -0.942 76 2HE2 GLN 9 2HE2 GLN 9 2.836 -12.126 -1.034 77 H GLN 10 H GLN 10 1.098 -8.258 4.157 78 HA GLN 10 HA GLN 10 -0.340 -6.065 2.995 79 1HB GLN 10 2HB GLN 10 -0.644 -8.102 4.916 80 2HB GLN 10 1HB GLN 10 -0.947 -6.619 5.772 81 1HG GLN 10 2HG GLN 10 -2.981 -6.504 4.846 82 2HG GLN 10 1HG GLN 10 -2.250 -6.434 3.271 83 1HE2 GLN 10 1HE2 GLN 10 -3.590 -7.974 2.107 84 2HE2 GLN 10 2HE2 GLN 10 -3.805 -9.578 2.603 85 H ASN 11 H ASN 11 1.615 -6.301 5.981 86 HA ASN 11 HA ASN 11 1.335 -3.518 6.740 87 1HB ASN 11 2HB ASN 11 1.948 -5.568 8.178 88 2HB ASN 11 1HB ASN 11 3.567 -5.447 7.482 89 1HD2 ASN 11 1HD2 ASN 11 4.981 -3.912 8.414 90 2HD2 ASN 11 2HD2 ASN 11 4.508 -2.762 9.570 91 H ALA 12 H ALA 12 3.925 -5.399 5.123 92 HA ALA 12 HA ALA 12 5.763 -3.234 4.748 93 1HB ALA 12 2HB ALA 12 5.221 -5.896 3.432 94 2HB ALA 12 3HB ALA 12 6.618 -5.406 4.402 95 3HB ALA 12 1HB ALA 12 6.430 -4.799 2.752 96 H PHE 13 H PHE 13 3.143 -4.542 2.713 97 HA PHE 13 HA PHE 13 3.374 -2.834 0.437 98 1HB PHE 13 2HB PHE 13 1.907 -4.785 0.457 99 2HB PHE 13 1HB PHE 13 1.037 -4.185 1.857 100 HD1 PHE 13 HD1 PHE 13 -1.133 -3.644 1.277 101 HD2 PHE 13 HD2 PHE 13 2.064 -2.598 -1.367 102 HE1 PHE 13 HE1 PHE 13 -2.756 -2.597 -0.258 103 HE2 PHE 13 HE2 PHE 13 0.445 -1.555 -2.904 104 HZ PHE 13 HZ PHE 13 -1.968 -1.552 -2.346 105 H TYR 14 H TYR 14 1.249 -2.547 3.295 106 HA TYR 14 HA TYR 14 0.177 0.015 2.897 107 1HB TYR 14 2HB TYR 14 -0.427 -1.670 4.591 108 2HB TYR 14 1HB TYR 14 1.049 -1.288 5.477 109 HD1 TYR 14 HD1 TYR 14 1.204 0.660 6.835 110 HD2 TYR 14 HD2 TYR 14 -2.132 0.154 4.203 111 HE1 TYR 14 HE1 TYR 14 0.039 2.549 7.922 112 HE2 TYR 14 HE2 TYR 14 -3.286 1.928 5.277 113 HH TYR 14 HH TYR 14 -2.324 3.335 8.236 114 H GLU 15 H GLU 15 3.062 -0.795 4.925 115 HA GLU 15 HA GLU 15 3.845 1.871 5.524 116 1HB GLU 15 2HB GLU 15 5.412 -0.712 5.251 117 2HB GLU 15 1HB GLU 15 6.091 0.767 5.932 118 1HG GLU 15 2HG GLU 15 3.676 -0.743 7.010 119 2HG GLU 15 1HG GLU 15 5.281 -0.724 7.726 120 H ILE 16 H ILE 16 4.854 -0.262 2.782 121 HA ILE 16 HA ILE 16 6.689 1.515 1.502 122 HB ILE 16 HB ILE 16 4.849 -0.729 0.701 123 1HG1 ILE 16 2HG1 ILE 16 7.747 -0.507 0.000 124 2HG1 ILE 16 1HG1 ILE 16 7.332 -0.658 1.703 125 1HG2 ILE 16 2HG2 ILE 16 6.353 0.962 -1.297 126 2HG2 ILE 16 1HG2 ILE 16 5.667 -0.626 -1.647 127 3HG2 ILE 16 3HG2 ILE 16 4.607 0.722 -1.228 128 1HD1 ILE 16 1HD1 ILE 16 5.869 -2.514 -0.047 129 2HD1 ILE 16 3HD1 ILE 16 7.633 -2.764 -0.018 130 3HD1 ILE 16 2HD1 ILE 16 6.710 -2.811 1.484 131 H LEU 17 H LEU 17 3.141 1.251 1.150 132 HA LEU 17 HA LEU 17 2.794 3.491 -0.667 133 1HB LEU 17 2HB LEU 17 0.939 2.161 1.329 134 2HB LEU 17 1HB LEU 17 0.419 3.317 0.106 135 HG LEU 17 HG LEU 17 2.040 1.177 -1.022 136 1HD1 LEU 17 1HD1 LEU 17 0.239 0.367 0.960 137 2HD1 LEU 17 3HD1 LEU 17 -0.588 0.104 -0.581 138 3HD1 LEU 17 2HD1 LEU 17 0.987 -0.625 -0.287 139 1HD2 LEU 17 3HD2 LEU 17 0.338 2.917 -2.031 140 2HD2 LEU 17 2HD2 LEU 17 0.517 1.282 -2.717 141 3HD2 LEU 17 1HD2 LEU 17 -0.822 1.631 -1.607 142 H HIS 18 H HIS 18 2.717 3.246 2.905 143 HA HIS 18 HA HIS 18 1.938 6.053 3.236 144 1HB HIS 18 2HB HIS 18 2.607 3.744 5.068 145 2HB HIS 18 1HB HIS 18 2.312 5.361 5.705 146 HD1 HIS 18 HD1 HIS 18 -0.133 6.202 5.736 147 HD2 HIS 18 HD2 HIS 18 0.234 2.517 3.852 148 HE1 HIS 18 HE1 HIS 18 -2.475 5.299 5.252 149 H LEU 19 H LEU 19 4.992 4.662 2.549 150 HA LEU 19 HA LEU 19 6.632 6.367 4.283 151 1HB LEU 19 2HB LEU 19 7.109 4.598 1.882 152 2HB LEU 19 1HB LEU 19 8.395 5.636 2.481 153 HG LEU 19 HG LEU 19 6.934 3.556 4.140 154 1HD1 LEU 19 3HD1 LEU 19 9.496 3.526 2.572 155 2HD1 LEU 19 2HD1 LEU 19 9.361 2.558 4.043 156 3HD1 LEU 19 1HD1 LEU 19 8.253 2.279 2.699 157 1HD2 LEU 19 2HD2 LEU 19 8.322 5.782 5.030 158 2HD2 LEU 19 1HD2 LEU 19 8.049 4.306 5.955 159 3HD2 LEU 19 3HD2 LEU 19 9.549 4.514 5.053 160 HA PRO 20 HA PRO 20 5.780 9.996 1.790 161 1HB PRO 20 2HB PRO 20 7.557 11.678 3.025 162 2HB PRO 20 1HB PRO 20 5.977 11.234 3.702 163 1HG PRO 20 2HG PRO 20 8.673 10.099 4.302 164 2HG PRO 20 1HG PRO 20 7.375 10.562 5.418 165 1HD PRO 20 1HD PRO 20 7.788 8.003 4.748 166 2HD PRO 20 2HD PRO 20 6.150 8.643 5.004 167 H ASN 21 H ASN 21 8.979 8.426 1.805 168 HA ASN 21 HA ASN 21 9.832 10.329 -0.353 169 1HB ASN 21 2HB ASN 21 11.094 9.553 1.954 170 2HB ASN 21 1HB ASN 21 11.832 8.481 0.757 171 1HD2 ASN 21 1HD2 ASN 21 11.591 11.810 1.831 172 2HD2 ASN 21 2HD2 ASN 21 12.675 12.451 0.691 173 H LEU 22 H LEU 22 8.772 7.049 0.014 174 HA LEU 22 HA LEU 22 10.299 5.788 -2.097 175 1HB LEU 22 2HB LEU 22 7.508 5.281 -1.021 176 2HB LEU 22 1HB LEU 22 8.378 4.180 -2.085 177 HG LEU 22 HG LEU 22 9.097 4.976 0.740 178 1HD1 LEU 22 2HD1 LEU 22 8.269 2.485 -0.718 179 2HD1 LEU 22 1HD1 LEU 22 9.101 2.395 0.839 180 3HD1 LEU 22 3HD1 LEU 22 7.545 3.220 0.707 181 1HD2 LEU 22 2HD2 LEU 22 10.722 3.637 -1.419 182 2HD2 LEU 22 1HD2 LEU 22 11.196 4.957 -0.338 183 3HD2 LEU 22 3HD2 LEU 22 11.028 3.315 0.288 184 H ASN 23 H ASN 23 7.220 7.505 -2.027 185 HA ASN 23 HA ASN 23 5.747 8.263 -3.653 186 1HB ASN 23 2HB ASN 23 6.736 9.476 -5.521 187 2HB ASN 23 1HB ASN 23 7.641 9.777 -4.064 188 1HD2 ASN 23 1HD2 ASN 23 9.901 9.342 -4.126 189 2HD2 ASN 23 2HD2 ASN 23 10.669 8.584 -5.438 190 H GLU 24 H GLU 24 5.656 8.010 -6.448 191 HA GLU 24 HA GLU 24 4.569 5.368 -6.649 192 1HB GLU 24 2HB GLU 24 3.792 7.335 -7.925 193 2HB GLU 24 1HB GLU 24 5.302 7.341 -8.835 194 1HG GLU 24 2HG GLU 24 4.598 5.682 -10.209 195 2HG GLU 24 1HG GLU 24 4.013 4.710 -8.863 196 H GLU 25 H GLU 25 7.811 6.526 -7.485 197 HA GLU 25 HA GLU 25 8.513 4.348 -9.248 198 1HB GLU 25 2HB GLU 25 9.678 6.525 -9.118 199 2HB GLU 25 1HB GLU 25 10.213 6.144 -7.482 200 1HG GLU 25 2HG GLU 25 11.350 4.083 -8.433 201 2HG GLU 25 1HG GLU 25 10.977 4.706 -10.041 202 H GLN 26 H GLN 26 9.605 4.914 -5.864 203 HA GLN 26 HA GLN 26 10.575 2.174 -5.577 204 1HB GLN 26 2HB GLN 26 10.071 4.365 -3.545 205 2HB GLN 26 1HB GLN 26 10.951 2.880 -3.218 206 1HG GLN 26 2HG GLN 26 11.733 5.035 -5.212 207 2HG GLN 26 1HG GLN 26 12.542 4.674 -3.690 208 1HE2 GLN 26 1HE2 GLN 26 13.404 4.442 -6.689 209 2HE2 GLN 26 2HE2 GLN 26 14.059 2.880 -6.781 210 H ARG 27 H ARG 27 7.658 3.873 -4.373 211 HA ARG 27 HA ARG 27 6.636 1.838 -2.687 212 1HB ARG 27 2HB ARG 27 5.841 4.190 -2.921 213 2HB ARG 27 1HB ARG 27 5.169 3.784 -4.496 214 1HG ARG 27 2HG ARG 27 4.191 1.926 -2.530 215 2HG ARG 27 1HG ARG 27 3.917 3.575 -1.986 216 1HD ARG 27 2HD ARG 27 2.973 2.324 -4.584 217 2HD ARG 27 1HD ARG 27 1.976 2.972 -3.276 218 HE ARG 27 HE ARG 27 3.337 5.202 -3.885 219 1HH1 ARG 27 1HH1 ARG 27 3.530 3.048 -6.385 220 2HH1 ARG 27 2HH1 ARG 27 2.660 3.990 -7.543 221 1HH2 ARG 27 1HH2 ARG 27 1.625 6.373 -5.249 222 2HH2 ARG 27 2HH2 ARG 27 1.587 5.873 -6.902 223 H ASN 28 H ASN 28 5.814 2.446 -6.172 224 HA ASN 28 HA ASN 28 4.101 0.153 -6.510 225 1HB ASN 28 2HB ASN 28 4.113 2.105 -7.997 226 2HB ASN 28 1HB ASN 28 5.761 1.759 -8.455 227 1HD2 ASN 28 1HD2 ASN 28 5.563 1.138 -10.647 228 2HD2 ASN 28 2HD2 ASN 28 4.538 -0.102 -11.189 229 H ALA 29 H ALA 29 7.592 0.651 -7.146 230 HA ALA 29 HA ALA 29 8.232 -1.878 -8.306 231 1HB ALA 29 3HB ALA 29 9.573 0.337 -7.812 232 2HB ALA 29 2HB ALA 29 10.006 -0.513 -6.319 233 3HB ALA 29 1HB ALA 29 10.418 -1.210 -7.891 234 H PHE 30 H PHE 30 7.995 -0.828 -4.920 235 HA PHE 30 HA PHE 30 8.913 -3.264 -3.720 236 1HB PHE 30 2HB PHE 30 7.327 -0.849 -2.893 237 2HB PHE 30 1HB PHE 30 7.469 -2.219 -1.790 238 HD1 PHE 30 HD1 PHE 30 8.714 0.692 -1.625 239 HD2 PHE 30 HD2 PHE 30 10.237 -3.144 -2.776 240 HE1 PHE 30 HE1 PHE 30 10.990 1.374 -0.934 241 HE2 PHE 30 HE2 PHE 30 12.483 -2.473 -2.103 242 HZ PHE 30 HZ PHE 30 12.871 -0.261 -1.179 243 H ILE 31 H ILE 31 5.697 -2.062 -4.535 244 HA ILE 31 HA ILE 31 4.233 -4.335 -3.521 245 HB ILE 31 HB ILE 31 3.717 -2.218 -5.627 246 1HG1 ILE 31 2HG1 ILE 31 2.494 -2.449 -2.922 247 2HG1 ILE 31 1HG1 ILE 31 4.099 -1.760 -3.074 248 1HG2 ILE 31 1HG2 ILE 31 2.155 -4.555 -4.817 249 2HG2 ILE 31 3HG2 ILE 31 1.299 -3.021 -4.702 250 3HG2 ILE 31 2HG2 ILE 31 1.995 -3.528 -6.238 251 1HD1 ILE 31 3HD1 ILE 31 1.617 -0.806 -4.524 252 2HD1 ILE 31 2HD1 ILE 31 2.366 -0.029 -3.108 253 3HD1 ILE 31 1HD1 ILE 31 3.242 -0.092 -4.637 254 H GLN 32 H GLN 32 6.109 -3.755 -6.519 255 HA GLN 32 HA GLN 32 5.074 -6.067 -7.986 256 1HB GLN 32 2HB GLN 32 7.584 -4.360 -8.168 257 2HB GLN 32 1HB GLN 32 7.215 -5.650 -9.314 258 1HG GLN 32 2HG GLN 32 5.103 -4.578 -9.887 259 2HG GLN 32 1HG GLN 32 5.389 -3.308 -8.707 260 1HE2 GLN 32 1HE2 GLN 32 5.070 -3.054 -11.666 261 2HE2 GLN 32 2HE2 GLN 32 6.490 -2.309 -12.223 262 H SER 33 H SER 33 8.001 -5.461 -5.978 263 HA SER 33 HA SER 33 8.975 -8.213 -6.039 264 1HB SER 33 2HB SER 33 10.424 -7.245 -4.143 265 2HB SER 33 1HB SER 33 10.578 -6.509 -5.732 266 HG SER 33 HG SER 33 8.982 -5.568 -3.566 267 H LEU 34 H LEU 34 6.774 -6.424 -3.986 268 HA LEU 34 HA LEU 34 6.803 -8.299 -1.742 269 1HB LEU 34 2HB LEU 34 6.493 -5.816 -1.655 270 2HB LEU 34 1HB LEU 34 4.962 -6.005 -2.497 271 HG LEU 34 HG LEU 34 4.296 -7.560 -0.558 272 1HD1 LEU 34 1HD1 LEU 34 6.808 -6.289 0.501 273 2HD1 LEU 34 3HD1 LEU 34 5.517 -6.833 1.574 274 3HD1 LEU 34 2HD1 LEU 34 6.339 -7.988 0.524 275 1HD2 LEU 34 3HD2 LEU 34 3.841 -4.965 -1.005 276 2HD2 LEU 34 2HD2 LEU 34 3.304 -5.763 0.467 277 3HD2 LEU 34 1HD2 LEU 34 4.781 -4.807 0.480 278 H LYS 35 H LYS 35 4.420 -7.472 -4.346 279 HA LYS 35 HA LYS 35 2.444 -9.416 -3.546 280 1HB LYS 35 2HB LYS 35 2.985 -7.690 -5.935 281 2HB LYS 35 1HB LYS 35 1.881 -9.015 -6.166 282 1HG LYS 35 2HG LYS 35 1.058 -7.939 -3.763 283 2HG LYS 35 1HG LYS 35 1.450 -6.536 -4.756 284 1HD LYS 35 2HD LYS 35 -0.219 -6.974 -6.271 285 2HD LYS 35 1HD LYS 35 -0.089 -8.721 -6.069 286 1HE LYS 35 2HE LYS 35 -0.990 -7.338 -3.623 287 2HE LYS 35 1HE LYS 35 -2.109 -7.173 -4.987 288 1HZ LYS 35 1HZ LYS 35 -0.916 -9.737 -4.049 289 2HZ LYS 35 3HZ LYS 35 -2.501 -9.227 -3.732 290 3HZ LYS 35 2HZ LYS 35 -2.025 -9.560 -5.327 291 H ASP 36 H ASP 36 5.366 -9.674 -5.534 292 HA ASP 36 HA ASP 36 4.680 -12.419 -6.423 293 1HB ASP 36 2HB ASP 36 6.888 -10.429 -6.958 294 2HB ASP 36 1HB ASP 36 7.023 -12.100 -7.501 295 H ASP 37 H ASP 37 6.947 -10.822 -4.122 296 HA ASP 37 HA ASP 37 7.861 -13.551 -3.254 297 1HB ASP 37 2HB ASP 37 9.436 -11.654 -4.229 298 2HB ASP 37 1HB ASP 37 9.342 -11.020 -2.585 299 HA PRO 38 HA PRO 38 5.389 -12.214 0.340 300 1HB PRO 38 2HB PRO 38 5.067 -14.733 1.359 301 2HB PRO 38 1HB PRO 38 4.065 -14.082 0.047 302 1HG PRO 38 2HG PRO 38 6.425 -15.893 -0.114 303 2HG PRO 38 1HG PRO 38 4.875 -15.976 -0.973 304 1HD PRO 38 1HD PRO 38 7.101 -14.999 -2.128 305 2HD PRO 38 2HD PRO 38 5.479 -14.374 -2.497 306 H SER 39 H SER 39 8.122 -14.547 0.420 307 HA SER 39 HA SER 39 8.729 -14.269 3.221 308 1HB SER 39 2HB SER 39 9.431 -16.089 1.595 309 2HB SER 39 1HB SER 39 10.616 -14.958 0.948 310 HG SER 39 HG SER 39 11.824 -15.337 2.626 311 H GLN 40 H GLN 40 9.880 -12.438 0.364 312 HA GLN 40 HA GLN 40 11.868 -10.929 1.914 313 1HB GLN 40 2HB GLN 40 11.669 -11.574 -0.669 314 2HB GLN 40 1HB GLN 40 10.792 -10.042 -0.748 315 1HG GLN 40 2HG GLN 40 12.783 -9.039 0.537 316 2HG GLN 40 1HG GLN 40 13.643 -10.521 0.120 317 1HE2 GLN 40 1HE2 GLN 40 13.314 -7.410 -0.932 318 2HE2 GLN 40 2HE2 GLN 40 13.540 -7.638 -2.600 319 H SER 41 H SER 41 8.488 -10.710 1.909 320 HA SER 41 HA SER 41 7.889 -8.012 1.456 321 1HB SER 41 2HB SER 41 5.913 -8.473 2.842 322 2HB SER 41 1HB SER 41 6.294 -9.876 1.853 323 HG SER 41 HG SER 41 6.638 -10.972 3.614 324 H ALA 42 H ALA 42 8.904 -9.398 4.685 325 HA ALA 42 HA ALA 42 8.750 -6.869 6.074 326 1HB ALA 42 2HB ALA 42 10.627 -9.212 6.409 327 2HB ALA 42 3HB ALA 42 9.049 -9.031 7.189 328 3HB ALA 42 1HB ALA 42 10.370 -7.937 7.601 329 H ASN 43 H ASN 43 11.496 -8.490 4.419 330 HA ASN 43 HA ASN 43 13.510 -6.502 4.757 331 1HB ASN 43 2HB ASN 43 12.922 -8.796 3.023 332 2HB ASN 43 1HB ASN 43 13.854 -7.534 2.207 333 1HD2 ASN 43 1HD2 ASN 43 13.923 -8.805 5.618 334 2HD2 ASN 43 2HD2 ASN 43 15.591 -9.111 5.613 335 H LEU 44 H LEU 44 10.898 -6.903 2.385 336 HA LEU 44 HA LEU 44 11.592 -4.764 0.624 337 1HB LEU 44 2HB LEU 44 9.112 -6.298 1.294 338 2HB LEU 44 1HB LEU 44 9.043 -4.937 0.168 339 HG LEU 44 HG LEU 44 10.963 -7.253 -0.046 340 1HD1 LEU 44 1HD1 LEU 44 8.329 -7.420 -0.435 341 2HD1 LEU 44 3HD1 LEU 44 8.791 -6.767 -2.005 342 3HD1 LEU 44 2HD1 LEU 44 9.490 -8.290 -1.446 343 1HD2 LEU 44 2HD2 LEU 44 10.840 -4.581 -1.173 344 2HD2 LEU 44 1HD2 LEU 44 12.066 -5.844 -1.379 345 3HD2 LEU 44 3HD2 LEU 44 10.661 -5.820 -2.459 346 H LEU 45 H LEU 45 9.484 -4.910 3.498 347 HA LEU 45 HA LEU 45 8.846 -2.077 3.285 348 1HB LEU 45 2HB LEU 45 7.452 -3.420 4.614 349 2HB LEU 45 1HB LEU 45 8.795 -4.110 5.510 350 HG LEU 45 HG LEU 45 9.199 -2.026 6.646 351 1HD1 LEU 45 1HD1 LEU 45 7.146 -0.871 4.734 352 2HD1 LEU 45 3HD1 LEU 45 7.768 -0.012 6.143 353 3HD1 LEU 45 2HD1 LEU 45 8.855 -0.451 4.824 354 1HD2 LEU 45 1HD2 LEU 45 7.256 -3.479 7.368 355 2HD2 LEU 45 3HD2 LEU 45 7.163 -1.798 7.892 356 3HD2 LEU 45 2HD2 LEU 45 6.194 -2.351 6.525 357 H ALA 46 H ALA 46 11.280 -3.954 5.193 358 HA ALA 46 HA ALA 46 12.635 -1.791 6.466 359 1HB ALA 46 2HB ALA 46 13.454 -4.450 5.240 360 2HB ALA 46 1HB ALA 46 14.672 -3.385 5.963 361 3HB ALA 46 3HB ALA 46 13.347 -4.009 6.954 362 H GLU 47 H GLU 47 13.224 -3.104 3.130 363 HA GLU 47 HA GLU 47 15.316 -1.185 2.595 364 1HB GLU 47 2HB GLU 47 15.105 -1.978 0.254 365 2HB GLU 47 1HB GLU 47 15.257 -3.298 1.401 366 1HG GLU 47 2HG GLU 47 12.745 -3.446 1.311 367 2HG GLU 47 1HG GLU 47 12.846 -2.369 -0.081 368 H ALA 48 H ALA 48 11.750 -1.244 2.100 369 HA ALA 48 HA ALA 48 11.630 1.254 0.661 370 1HB ALA 48 1HB ALA 48 9.964 -0.775 1.484 371 2HB ALA 48 3HB ALA 48 9.490 0.537 2.560 372 3HB ALA 48 2HB ALA 48 9.402 0.746 0.802 373 H LYS 49 H LYS 49 11.662 0.369 4.123 374 HA LYS 49 HA LYS 49 11.232 2.961 5.305 375 1HB LYS 49 2HB LYS 49 12.611 0.380 6.152 376 2HB LYS 49 1HB LYS 49 12.325 1.691 7.267 377 1HG LYS 49 2HG LYS 49 10.187 0.218 5.731 378 2HG LYS 49 1HG LYS 49 10.584 -0.071 7.414 379 1HD LYS 49 2HD LYS 49 9.696 2.595 6.320 380 2HD LYS 49 1HD LYS 49 8.601 1.412 7.028 381 1HE LYS 49 2HE LYS 49 9.916 1.453 9.127 382 2HE LYS 49 1HE LYS 49 10.967 2.696 8.422 383 1HZ LYS 49 1HZ LYS 49 8.008 2.921 8.727 384 2HZ LYS 49 3HZ LYS 49 9.150 3.690 9.717 385 3HZ LYS 49 2HZ LYS 49 9.037 4.110 8.077 386 H LYS 50 H LYS 50 13.976 1.025 4.336 387 HA LYS 50 HA LYS 50 16.174 2.669 5.115 388 1HB LYS 50 2HB LYS 50 16.569 0.396 4.628 389 2HB LYS 50 1HB LYS 50 15.536 0.435 3.220 390 1HG LYS 50 2HG LYS 50 17.428 2.053 2.281 391 2HG LYS 50 1HG LYS 50 18.411 1.188 3.464 392 1HD LYS 50 2HD LYS 50 16.619 -0.243 1.465 393 2HD LYS 50 1HD LYS 50 18.314 0.132 1.133 394 1HE LYS 50 2HE LYS 50 18.941 -1.121 3.241 395 2HE LYS 50 1HE LYS 50 17.242 -1.620 3.379 396 1HZ LYS 50 3HZ LYS 50 17.381 -2.512 1.110 397 2HZ LYS 50 2HZ LYS 50 19.028 -2.099 1.041 398 3HZ LYS 50 1HZ LYS 50 18.488 -3.272 2.144 399 H LEU 51 H LEU 51 14.188 2.477 2.145 400 HA LEU 51 HA LEU 51 15.692 4.443 0.622 401 1HB LEU 51 2HB LEU 51 13.176 2.884 0.462 402 2HB LEU 51 1HB LEU 51 13.150 4.407 -0.412 403 HG LEU 51 HG LEU 51 14.787 3.736 -1.907 404 1HD1 LEU 51 1HD1 LEU 51 15.736 1.958 0.324 405 2HD1 LEU 51 3HD1 LEU 51 16.189 1.589 -1.341 406 3HD1 LEU 51 2HD1 LEU 51 16.652 3.137 -0.621 407 1HD2 LEU 51 3HD2 LEU 51 13.091 1.467 -0.995 408 2HD2 LEU 51 2HD2 LEU 51 13.105 2.304 -2.548 409 3HD2 LEU 51 1HD2 LEU 51 14.362 1.121 -2.171 410 H ASN 52 H ASN 52 12.788 4.550 2.671 411 HA ASN 52 HA ASN 52 11.987 7.231 2.203 412 1HB ASN 52 2HB ASN 52 10.764 5.360 3.379 413 2HB ASN 52 1HB ASN 52 11.803 5.643 4.776 414 1HD2 ASN 52 1HD2 ASN 52 11.010 7.135 6.249 415 2HD2 ASN 52 2HD2 ASN 52 9.860 8.334 5.900 416 H ASP 53 H ASP 53 14.286 5.870 4.589 417 HA ASP 53 HA ASP 53 14.903 8.497 5.771 418 1HB ASP 53 2HB ASP 53 16.157 5.747 6.075 419 2HB ASP 53 1HB ASP 53 16.507 7.136 7.099 420 H ALA 54 H ALA 54 16.568 6.202 3.565 421 HA ALA 54 HA ALA 54 19.054 7.674 3.372 422 1HB ALA 54 2HB ALA 54 19.424 6.183 1.440 423 2HB ALA 54 3HB ALA 54 17.711 5.762 1.425 424 3HB ALA 54 1HB ALA 54 18.727 5.281 2.785 425 H GLN 55 H GLN 55 16.107 7.621 1.333 426 HA GLN 55 HA GLN 55 17.101 9.746 -0.455 427 1HB GLN 55 2HB GLN 55 14.379 8.444 -0.165 428 2HB GLN 55 1HB GLN 55 14.898 9.443 -1.515 429 1HG GLN 55 2HG GLN 55 16.636 7.797 -2.097 430 2HG GLN 55 1HG GLN 55 16.172 6.795 -0.719 431 1HE2 GLN 55 1HE2 GLN 55 13.398 6.780 -0.832 432 2HE2 GLN 55 2HE2 GLN 55 12.868 6.128 -2.305 433 H ALA 56 H ALA 56 15.678 9.725 2.665 434 HA ALA 56 HA ALA 56 13.752 11.796 2.617 435 1HB ALA 56 3HB ALA 56 15.368 11.915 4.995 436 2HB ALA 56 1HB ALA 56 15.133 10.228 4.525 437 3HB ALA 56 2HB ALA 56 13.737 11.272 4.799 438 HA PRO 57 HA PRO 57 15.988 15.503 2.034 439 1HB PRO 57 2HB PRO 57 14.377 17.256 3.379 440 2HB PRO 57 1HB PRO 57 13.935 16.541 1.816 441 1HG PRO 57 2HG PRO 57 13.069 15.769 4.556 442 2HG PRO 57 1HG PRO 57 12.129 15.855 3.059 443 1HD PRO 57 1HD PRO 57 13.074 13.530 4.107 444 2HD PRO 57 2HD PRO 57 12.799 13.777 2.369 445 H LYS 58 H LYS 58 17.486 16.869 3.137 446 HA LYS 58 HA LYS 58 17.639 16.686 6.114 447 1HB LYS 58 2HB LYS 58 18.988 14.867 4.997 448 2HB LYS 58 1HB LYS 58 19.955 16.126 4.230 449 1HG LYS 58 2HG LYS 58 20.536 17.016 6.484 450 2HG LYS 58 1HG LYS 58 19.636 15.684 7.213 451 1HD LYS 58 2HD LYS 58 21.124 14.072 6.029 452 2HD LYS 58 1HD LYS 58 22.059 15.429 5.408 453 1HE LYS 58 2HE LYS 58 21.600 15.269 8.374 454 2HE LYS 58 1HE LYS 58 22.816 14.205 7.645 455 1HZ LYS 58 1HZ LYS 58 22.657 17.155 7.244 456 2HZ LYS 58 3HZ LYS 58 23.766 16.365 8.252 457 3HZ LYS 58 2HZ LYS 58 23.828 16.118 6.573 458 H1 VAL 1 3H VAL 1 -2.630 -15.453 -17.963 459 H2 VAL 1 2H VAL 1 -3.888 -15.833 -19.039 460 H3 VAL 1 1H VAL 1 -2.565 -14.916 -19.569 461 HA VAL 1 HA VAL 1 -4.359 -13.394 -19.255 462 HB VAL 1 HB VAL 1 -5.449 -13.301 -16.964 463 1HG1 VAL 1 2HG1 VAL 1 -6.288 -14.600 -19.060 464 2HG1 VAL 1 1HG1 VAL 1 -5.852 -16.040 -18.141 465 3HG1 VAL 1 3HG1 VAL 1 -7.051 -14.915 -17.503 466 1HG2 VAL 1 2HG2 VAL 1 -3.587 -14.566 -15.796 467 2HG2 VAL 1 1HG2 VAL 1 -5.210 -15.150 -15.434 468 3HG2 VAL 1 3HG2 VAL 1 -4.188 -16.034 -16.567 469 H ASP 2 H ASP 2 -4.107 -11.285 -18.194 470 HA ASP 2 HA ASP 2 -1.323 -10.758 -17.386 471 1HB ASP 2 2HB ASP 2 -2.691 -9.337 -18.957 472 2HB ASP 2 1HB ASP 2 -3.714 -8.893 -17.592 473 H ASN 3 H ASN 3 -0.673 -10.802 -15.291 474 HA ASN 3 HA ASN 3 -2.692 -10.324 -13.122 475 1HB ASN 3 2HB ASN 3 -1.369 -11.910 -11.782 476 2HB ASN 3 1HB ASN 3 -1.829 -12.656 -13.308 477 1HD2 ASN 3 1HD2 ASN 3 0.839 -12.054 -11.261 478 2HD2 ASN 3 2HD2 ASN 3 2.076 -12.376 -12.379 479 H LYS 4 H LYS 4 -1.520 -8.087 -14.219 480 HA LYS 4 HA LYS 4 0.855 -7.331 -12.599 481 1HB LYS 4 2HB LYS 4 -0.750 -5.974 -14.792 482 2HB LYS 4 1HB LYS 4 0.665 -5.249 -14.027 483 1HG LYS 4 2HG LYS 4 2.012 -7.236 -14.706 484 2HG LYS 4 1HG LYS 4 0.601 -7.874 -15.548 485 1HD LYS 4 2HD LYS 4 0.537 -5.811 -16.943 486 2HD LYS 4 1HD LYS 4 2.009 -5.255 -16.144 487 1HE LYS 4 2HE LYS 4 3.350 -6.803 -17.230 488 2HE LYS 4 1HE LYS 4 2.047 -8.002 -17.347 489 1HZ LYS 4 1HZ LYS 4 2.131 -5.430 -18.848 490 2HZ LYS 4 3HZ LYS 4 2.533 -6.944 -19.500 491 3HZ LYS 4 2HZ LYS 4 0.942 -6.639 -18.986 492 H PHE 5 H PHE 5 -1.338 -7.804 -10.928 493 HA PHE 5 HA PHE 5 -2.967 -5.537 -10.314 494 1HB PHE 5 2HB PHE 5 -2.025 -7.990 -8.834 495 2HB PHE 5 1HB PHE 5 -3.110 -6.830 -8.096 496 HD1 PHE 5 HD1 PHE 5 -2.825 -9.591 -10.409 497 HD2 PHE 5 HD2 PHE 5 -5.328 -6.299 -9.239 498 HE1 PHE 5 HE1 PHE 5 -4.742 -10.622 -11.595 499 HE2 PHE 5 HE2 PHE 5 -7.241 -7.334 -10.424 500 HZ PHE 5 HZ PHE 5 -6.951 -9.495 -11.601 501 H ASN 6 H ASN 6 0.348 -6.282 -9.528 502 HA ASN 6 HA ASN 6 0.775 -4.732 -7.199 503 1HB ASN 6 2HB ASN 6 3.170 -4.577 -8.140 504 2HB ASN 6 1HB ASN 6 2.512 -6.194 -7.927 505 1HD2 ASN 6 1HD2 ASN 6 3.215 -3.713 -10.434 506 2HD2 ASN 6 2HD2 ASN 6 3.204 -4.805 -11.732 507 H LYS 7 H LYS 7 0.710 -3.687 -10.578 508 HA LYS 7 HA LYS 7 1.524 -0.954 -10.099 509 1HB LYS 7 2HB LYS 7 0.972 -2.580 -12.299 510 2HB LYS 7 1HB LYS 7 -0.311 -1.370 -12.343 511 1HG LYS 7 2HG LYS 7 2.672 -0.788 -12.198 512 2HG LYS 7 1HG LYS 7 1.660 -0.601 -13.627 513 1HD LYS 7 2HD LYS 7 0.321 1.116 -12.490 514 2HD LYS 7 1HD LYS 7 1.261 0.897 -11.015 515 1HE LYS 7 2HE LYS 7 3.297 1.396 -12.709 516 2HE LYS 7 1HE LYS 7 2.015 2.292 -13.544 517 1HZ LYS 7 1HZ LYS 7 1.454 3.375 -11.439 518 2HZ LYS 7 3HZ LYS 7 2.708 2.540 -10.655 519 3HZ LYS 7 2HZ LYS 7 3.071 3.679 -11.861 520 H GLU 8 H GLU 8 -1.539 -2.647 -10.095 521 HA GLU 8 HA GLU 8 -3.268 -0.372 -9.889 522 1HB GLU 8 2HB GLU 8 -3.396 -3.269 -9.798 523 2HB GLU 8 1HB GLU 8 -4.451 -2.567 -8.572 524 1HG GLU 8 2HG GLU 8 -5.262 -1.002 -10.474 525 2HG GLU 8 1HG GLU 8 -4.506 -2.170 -11.559 526 H LEU 9 H LEU 9 -1.498 -2.249 -7.449 527 HA LEU 9 HA LEU 9 -2.807 -0.958 -5.184 528 1HB LEU 9 2HB LEU 9 -0.042 -2.145 -5.152 529 2HB LEU 9 1HB LEU 9 -1.173 -1.992 -3.861 530 HG LEU 9 HG LEU 9 -1.818 -3.730 -6.216 531 1HD1 LEU 9 2HD1 LEU 9 0.190 -4.126 -4.141 532 2HD1 LEU 9 1HD1 LEU 9 -1.081 -5.346 -4.023 533 3HD1 LEU 9 3HD1 LEU 9 -0.173 -5.163 -5.528 534 1HD2 LEU 9 3HD2 LEU 9 -3.652 -2.958 -4.672 535 2HD2 LEU 9 2HD2 LEU 9 -3.402 -4.709 -4.600 536 3HD2 LEU 9 1HD2 LEU 9 -2.765 -3.682 -3.324 537 H SER 10 H SER 10 -0.170 -0.164 -7.322 538 HA SER 10 HA SER 10 1.182 1.787 -5.693 539 1HB SER 10 2HB SER 10 2.497 1.538 -7.515 540 2HB SER 10 1HB SER 10 1.237 0.664 -8.355 541 HG SER 10 HG SER 10 0.698 2.438 -9.400 542 H VAL 11 H VAL 11 -1.399 2.005 -8.188 543 HA VAL 11 HA VAL 11 -1.923 4.858 -7.700 544 HB VAL 11 HB VAL 11 -3.554 2.788 -9.221 545 1HG1 VAL 11 2HG1 VAL 11 -3.285 5.800 -9.454 546 2HG1 VAL 11 1HG1 VAL 11 -4.167 4.786 -10.598 547 3HG1 VAL 11 3HG1 VAL 11 -4.710 4.904 -8.925 548 1HG2 VAL 11 2HG2 VAL 11 -1.133 4.400 -10.103 549 2HG2 VAL 11 1HG2 VAL 11 -1.280 2.639 -10.051 550 3HG2 VAL 11 3HG2 VAL 11 -2.219 3.572 -11.222 551 H ALA 12 H ALA 12 -3.804 1.835 -7.195 552 HA ALA 12 HA ALA 12 -5.981 3.009 -5.771 553 1HB ALA 12 2HB ALA 12 -5.887 0.773 -6.914 554 2HB ALA 12 3HB ALA 12 -6.585 0.730 -5.297 555 3HB ALA 12 1HB ALA 12 -4.921 0.190 -5.552 556 H GLY 13 H GLY 13 -3.232 1.192 -4.555 557 1HA GLY 13 1HA GLY 13 -2.217 1.078 -2.495 558 2HA GLY 13 2HA GLY 13 -3.813 1.369 -1.811 559 H ARG 14 H ARG 14 -1.412 3.317 -3.634 560 HA ARG 14 HA ARG 14 -0.785 4.954 -1.412 561 1HB ARG 14 2HB ARG 14 0.095 4.672 -3.992 562 2HB ARG 14 1HB ARG 14 -0.575 6.298 -4.030 563 1HG ARG 14 2HG ARG 14 1.460 5.223 -2.048 564 2HG ARG 14 1HG ARG 14 1.787 6.360 -3.351 565 1HD ARG 14 2HD ARG 14 0.417 8.064 -2.300 566 2HD ARG 14 1HD ARG 14 -0.124 6.907 -1.064 567 HE ARG 14 HE ARG 14 2.421 6.664 -0.577 568 1HH1 ARG 14 1HH1 ARG 14 3.913 8.526 -1.907 569 2HH1 ARG 14 2HH1 ARG 14 3.720 10.039 -1.088 570 1HH2 ARG 14 1HH2 ARG 14 0.838 9.055 0.609 571 2HH2 ARG 14 2HH2 ARG 14 1.966 10.341 0.347 572 H GLU 15 H GLU 15 -3.341 5.477 -3.910 573 HA GLU 15 HA GLU 15 -4.099 8.129 -3.009 574 1HB GLU 15 2HB GLU 15 -5.489 5.899 -4.512 575 2HB GLU 15 1HB GLU 15 -6.296 7.427 -4.164 576 1HG GLU 15 2HG GLU 15 -3.678 7.139 -5.675 577 2HG GLU 15 1HG GLU 15 -5.249 7.444 -6.413 578 H ILE 16 H ILE 16 -5.181 4.845 -2.127 579 HA ILE 16 HA ILE 16 -7.194 5.609 -0.202 580 HB ILE 16 HB ILE 16 -5.567 3.119 -0.802 581 1HG1 ILE 16 2HG1 ILE 16 -8.552 3.413 -0.974 582 2HG1 ILE 16 1HG1 ILE 16 -7.558 4.178 -2.207 583 1HG2 ILE 16 2HG2 ILE 16 -7.642 3.542 1.363 584 2HG2 ILE 16 1HG2 ILE 16 -7.319 1.949 0.668 585 3HG2 ILE 16 3HG2 ILE 16 -6.038 2.823 1.517 586 1HD1 ILE 16 1HD1 ILE 16 -6.516 1.585 -1.932 587 2HD1 ILE 16 3HD1 ILE 16 -8.269 1.393 -1.897 588 3HD1 ILE 16 2HD1 ILE 16 -7.500 2.206 -3.262 589 H VAL 17 H VAL 17 -3.696 5.258 -0.092 590 HA VAL 17 HA VAL 17 -3.298 5.193 2.771 591 HB VAL 17 HB VAL 17 -1.627 5.791 0.325 592 1HG1 VAL 17 1HG1 VAL 17 -0.947 6.468 3.112 593 2HG1 VAL 17 3HG1 VAL 17 0.269 5.533 2.244 594 3HG1 VAL 17 2HG1 VAL 17 -0.274 7.083 1.604 595 1HG2 VAL 17 3HG2 VAL 17 -2.180 3.510 2.055 596 2HG2 VAL 17 2HG2 VAL 17 -1.494 3.564 0.414 597 3HG2 VAL 17 1HG2 VAL 17 -0.451 3.793 1.813 598 H THR 18 H THR 18 -3.565 7.878 0.382 599 HA THR 18 HA THR 18 -3.532 9.757 2.708 600 HB THR 18 HB THR 18 -1.323 9.495 1.576 601 HG1 THR 18 HG1 THR 18 -2.498 12.058 1.243 602 1HG2 THR 18 2HG2 THR 18 -2.943 10.333 -0.803 603 2HG2 THR 18 1HG2 THR 18 -1.272 10.883 -0.686 604 3HG2 THR 18 3HG2 THR 18 -1.632 9.158 -0.693 605 H LEU 19 H LEU 19 -5.992 8.907 1.036 606 HA LEU 19 HA LEU 19 -6.590 11.142 -0.723 607 1HB LEU 19 2HB LEU 19 -8.973 10.383 -0.408 608 2HB LEU 19 1HB LEU 19 -7.861 9.137 -0.948 609 HG LEU 19 HG LEU 19 -8.052 9.278 1.970 610 1HD1 LEU 19 3HD1 LEU 19 -10.491 9.160 0.266 611 2HD1 LEU 19 2HD1 LEU 19 -10.394 8.024 1.610 612 3HD1 LEU 19 1HD1 LEU 19 -10.290 9.755 1.913 613 1HD2 LEU 19 3HD2 LEU 19 -8.349 7.181 -0.196 614 2HD2 LEU 19 2HD2 LEU 19 -7.033 7.356 0.960 615 3HD2 LEU 19 1HD2 LEU 19 -8.616 6.803 1.505 616 HA PRO 20 HA PRO 20 -7.073 14.591 1.779 617 1HB PRO 20 2HB PRO 20 -9.399 15.768 0.900 618 2HB PRO 20 1HB PRO 20 -7.850 15.802 0.034 619 1HG PRO 20 2HG PRO 20 -10.174 13.955 -0.337 620 2HG PRO 20 1HG PRO 20 -9.225 14.823 -1.558 621 1HD PRO 20 1HD PRO 20 -8.758 12.254 -1.089 622 2HD PRO 20 2HD PRO 20 -7.404 13.376 -1.361 623 H ASN 21 H ASN 21 -9.942 12.460 2.105 624 HA ASN 21 HA ASN 21 -10.451 13.864 4.729 625 1HB ASN 21 2HB ASN 21 -12.380 12.565 2.812 626 2HB ASN 21 1HB ASN 21 -12.826 13.226 4.368 627 1HD2 ASN 21 1HD2 ASN 21 -13.972 14.177 1.942 628 2HD2 ASN 21 2HD2 ASN 21 -13.468 15.782 1.705 629 H LEU 22 H LEU 22 -8.987 11.089 3.925 630 HA LEU 22 HA LEU 22 -10.654 9.294 5.629 631 1HB LEU 22 2HB LEU 22 -9.446 8.791 3.330 632 2HB LEU 22 1HB LEU 22 -8.087 8.462 4.386 633 HG LEU 22 HG LEU 22 -10.035 7.095 5.686 634 1HD1 LEU 22 2HD1 LEU 22 -11.550 7.753 3.663 635 2HD1 LEU 22 1HD1 LEU 22 -10.644 6.513 2.795 636 3HD1 LEU 22 3HD1 LEU 22 -11.577 6.082 4.230 637 1HD2 LEU 22 1HD2 LEU 22 -7.959 6.433 3.665 638 2HD2 LEU 22 3HD2 LEU 22 -8.167 5.835 5.315 639 3HD2 LEU 22 2HD2 LEU 22 -9.143 5.165 4.009 640 H ASN 23 H ASN 23 -9.641 8.058 7.299 641 HA ASN 23 HA ASN 23 -7.418 9.524 8.697 642 1HB ASN 23 2HB ASN 23 -8.358 8.627 10.768 643 2HB ASN 23 1HB ASN 23 -9.611 9.450 9.851 644 1HD2 ASN 23 1HD2 ASN 23 -10.463 7.634 11.771 645 2HD2 ASN 23 2HD2 ASN 23 -11.056 6.226 11.032 646 H ASP 24 H ASP 24 -5.813 8.184 9.848 647 HA ASP 24 HA ASP 24 -4.580 6.281 8.227 648 1HB ASP 24 2HB ASP 24 -3.054 5.920 10.092 649 2HB ASP 24 1HB ASP 24 -3.457 7.622 9.920 650 HA PRO 25 HA PRO 25 -6.187 2.603 10.864 651 1HB PRO 25 2HB PRO 25 -8.731 2.771 11.873 652 2HB PRO 25 1HB PRO 25 -7.281 3.211 12.800 653 1HG PRO 25 2HG PRO 25 -9.224 4.960 11.383 654 2HG PRO 25 1HG PRO 25 -8.419 5.196 12.942 655 1HD PRO 25 1HD PRO 25 -7.633 6.433 10.660 656 2HD PRO 25 2HD PRO 25 -6.533 6.044 11.989 657 H GLN 26 H GLN 26 -8.760 4.484 9.110 658 HA GLN 26 HA GLN 26 -10.026 2.116 8.028 659 1HB GLN 26 2HB GLN 26 -10.087 5.051 7.258 660 2HB GLN 26 1HB GLN 26 -11.089 3.825 6.468 661 1HG GLN 26 2HG GLN 26 -11.883 3.143 8.797 662 2HG GLN 26 1HG GLN 26 -11.103 4.599 9.400 663 1HE2 GLN 26 1HE2 GLN 26 -11.980 6.719 8.566 664 2HE2 GLN 26 2HE2 GLN 26 -13.578 6.783 8.006 665 H LYS 27 H LYS 27 -7.591 4.385 6.612 666 HA LYS 27 HA LYS 27 -7.320 3.016 4.101 667 1HB LYS 27 2HB LYS 27 -4.933 3.963 4.195 668 2HB LYS 27 1HB LYS 27 -6.274 5.109 4.174 669 1HG LYS 27 2HG LYS 27 -6.015 5.146 6.746 670 2HG LYS 27 1HG LYS 27 -4.479 4.336 6.472 671 1HD LYS 27 2HD LYS 27 -4.002 6.687 6.539 672 2HD LYS 27 1HD LYS 27 -3.915 6.200 4.852 673 1HE LYS 27 2HE LYS 27 -5.750 7.439 4.254 674 2HE LYS 27 1HE LYS 27 -6.596 7.102 5.773 675 1HZ LYS 27 1HZ LYS 27 -5.037 8.578 6.918 676 2HZ LYS 27 3HZ LYS 27 -4.272 8.931 5.443 677 3HZ LYS 27 2HZ LYS 27 -5.884 9.405 5.701 678 H LYS 28 H LYS 28 -5.849 2.456 7.263 679 HA LYS 28 HA LYS 28 -3.850 0.556 6.576 680 1HB LYS 28 2HB LYS 28 -5.297 1.512 8.923 681 2HB LYS 28 1HB LYS 28 -5.117 -0.236 9.024 682 1HG LYS 28 2HG LYS 28 -2.757 1.386 8.215 683 2HG LYS 28 1HG LYS 28 -3.217 1.385 9.909 684 1HD LYS 28 2HD LYS 28 -2.713 -0.838 10.187 685 2HD LYS 28 1HD LYS 28 -3.130 -1.248 8.523 686 1HE LYS 28 2HE LYS 28 -1.044 -0.606 7.685 687 2HE LYS 28 1HE LYS 28 -0.720 0.478 9.047 688 1HZ LYS 28 2HZ LYS 28 -1.021 -2.461 9.384 689 2HZ LYS 28 1HZ LYS 28 0.483 -1.721 9.109 690 3HZ LYS 28 3HZ LYS 28 -0.404 -1.339 10.503 691 H ALA 29 H ALA 29 -7.207 -0.178 7.757 692 HA ALA 29 HA ALA 29 -7.183 -2.966 7.042 693 1HB ALA 29 1HB ALA 29 -9.657 -2.714 7.287 694 2HB ALA 29 2HB ALA 29 -9.458 -0.960 7.291 695 3HB ALA 29 3HB ALA 29 -8.783 -1.929 8.603 696 H PHE 30 H PHE 30 -7.980 -0.039 5.218 697 HA PHE 30 HA PHE 30 -9.240 -1.161 2.907 698 1HB PHE 30 2HB PHE 30 -8.231 1.339 3.894 699 2HB PHE 30 1HB PHE 30 -7.593 1.114 2.281 700 HD1 PHE 30 HD1 PHE 30 -9.116 0.727 0.377 701 HD2 PHE 30 HD2 PHE 30 -10.536 1.795 4.281 702 HE1 PHE 30 HE1 PHE 30 -11.293 1.397 -0.586 703 HE2 PHE 30 HE2 PHE 30 -12.711 2.463 3.314 704 HZ PHE 30 HZ PHE 30 -13.088 2.271 0.881 705 H ILE 31 H ILE 31 -5.852 -0.105 3.316 706 HA ILE 31 HA ILE 31 -4.838 -1.092 0.846 707 HB ILE 31 HB ILE 31 -3.733 -0.451 3.578 708 1HG1 ILE 31 2HG1 ILE 31 -4.024 0.881 0.947 709 2HG1 ILE 31 1HG1 ILE 31 -3.966 1.585 2.570 710 1HG2 ILE 31 2HG2 ILE 31 -2.425 -2.376 2.288 711 2HG2 ILE 31 1HG2 ILE 31 -1.817 -1.015 1.331 712 3HG2 ILE 31 3HG2 ILE 31 -1.556 -1.069 3.074 713 1HD1 ILE 31 1HD1 ILE 31 -1.460 0.431 1.450 714 2HD1 ILE 31 3HD1 ILE 31 -2.037 1.954 0.814 715 3HD1 ILE 31 2HD1 ILE 31 -1.697 1.794 2.545 716 H PHE 32 H PHE 32 -5.066 -2.575 4.088 717 HA PHE 32 HA PHE 32 -3.708 -5.000 3.463 718 1HB PHE 32 2HB PHE 32 -5.612 -4.019 5.580 719 2HB PHE 32 1HB PHE 32 -5.194 -5.734 5.539 720 HD1 PHE 32 HD1 PHE 32 -3.312 -6.422 6.862 721 HD2 PHE 32 HD2 PHE 32 -3.318 -2.361 5.173 722 HE1 PHE 32 HE1 PHE 32 -1.146 -5.931 7.860 723 HE2 PHE 32 HE2 PHE 32 -1.185 -1.964 6.258 724 HZ PHE 32 HZ PHE 32 -0.098 -3.771 7.532 725 H SER 33 H SER 33 -7.155 -4.024 2.948 726 HA SER 33 HA SER 33 -7.902 -6.741 2.033 727 1HB SER 33 2HB SER 33 -10.055 -5.756 1.652 728 2HB SER 33 1HB SER 33 -9.437 -4.975 3.097 729 HG SER 33 HG SER 33 -9.237 -3.151 2.039 730 H LEU 34 H LEU 34 -6.820 -3.669 0.611 731 HA LEU 34 HA LEU 34 -7.183 -4.237 -2.196 732 1HB LEU 34 2HB LEU 34 -6.825 -2.002 -1.492 733 2HB LEU 34 1HB LEU 34 -5.461 -2.424 -0.484 734 HG LEU 34 HG LEU 34 -4.309 -3.013 -2.725 735 1HD1 LEU 34 3HD1 LEU 34 -6.698 -1.380 -3.641 736 2HD1 LEU 34 2HD1 LEU 34 -5.214 -1.518 -4.589 737 3HD1 LEU 34 1HD1 LEU 34 -6.169 -2.959 -4.240 738 1HD2 LEU 34 3HD2 LEU 34 -3.871 -1.009 -1.217 739 2HD2 LEU 34 2HD2 LEU 34 -3.519 -0.742 -2.927 740 3HD2 LEU 34 1HD2 LEU 34 -5.009 -0.110 -2.228 741 H TRP 35 H TRP 35 -4.506 -4.839 0.078 742 HA TRP 35 HA TRP 35 -2.591 -5.911 -1.785 743 1HB TRP 35 2HB TRP 35 -2.140 -5.085 0.520 744 2HB TRP 35 1HB TRP 35 -2.992 -6.481 1.166 745 HD1 TRP 35 HD1 TRP 35 -1.564 -8.566 1.550 746 HE1 TRP 35 HE1 TRP 35 0.696 -9.412 0.691 747 HE3 TRP 35 HE3 TRP 35 -0.458 -4.870 -1.763 748 HZ2 TRP 35 HZ2 TRP 35 2.745 -8.589 -1.149 749 HZ3 TRP 35 HZ3 TRP 35 1.646 -4.929 -3.052 750 HH2 TRP 35 HH2 TRP 35 3.235 -6.765 -2.742 751 H ASP 36 H ASP 36 -5.018 -7.470 0.357 752 HA ASP 36 HA ASP 36 -4.374 -10.190 -0.331 753 1HB ASP 36 2HB ASP 36 -5.668 -9.110 1.684 754 2HB ASP 36 1HB ASP 36 -7.071 -9.232 0.626 755 H ASP 37 H ASP 37 -6.852 -7.883 -1.518 756 HA ASP 37 HA ASP 37 -7.257 -9.694 -3.834 757 1HB ASP 37 2HB ASP 37 -9.420 -8.181 -2.327 758 2HB ASP 37 1HB ASP 37 -9.671 -9.296 -3.668 759 HA PRO 38 HA PRO 38 -6.350 -5.376 -5.270 760 1HB PRO 38 2HB PRO 38 -4.758 -6.093 -7.350 761 2HB PRO 38 1HB PRO 38 -4.167 -5.813 -5.704 762 1HG PRO 38 2HG PRO 38 -4.798 -8.401 -7.061 763 2HG PRO 38 1HG PRO 38 -3.426 -7.989 -6.022 764 1HD PRO 38 1HD PRO 38 -5.547 -9.385 -5.108 765 2HD PRO 38 2HD PRO 38 -4.640 -8.250 -4.079 766 H SER 39 H SER 39 -8.007 -8.131 -6.479 767 HA SER 39 HA SER 39 -8.690 -7.295 -9.164 768 1HB SER 39 2HB SER 39 -9.220 -9.447 -7.570 769 2HB SER 39 1HB SER 39 -10.740 -8.579 -7.404 770 HG SER 39 HG SER 39 -9.552 -9.724 -9.671 771 H GLN 40 H GLN 40 -9.871 -6.553 -5.915 772 HA GLN 40 HA GLN 40 -11.976 -4.648 -6.749 773 1HB GLN 40 2HB GLN 40 -10.821 -5.815 -4.227 774 2HB GLN 40 1HB GLN 40 -11.751 -4.329 -4.109 775 1HG GLN 40 2HG GLN 40 -13.303 -6.050 -3.758 776 2HG GLN 40 1HG GLN 40 -13.574 -5.537 -5.422 777 1HE2 GLN 40 1HE2 GLN 40 -11.687 -8.006 -3.557 778 2HE2 GLN 40 2HE2 GLN 40 -11.794 -9.200 -4.757 779 H SER 41 H SER 41 -8.620 -4.387 -6.667 780 HA SER 41 HA SER 41 -7.845 -2.218 -5.141 781 1HB SER 41 2HB SER 41 -6.382 -3.589 -6.407 782 2HB SER 41 1HB SER 41 -7.094 -3.053 -7.919 783 HG SER 41 HG SER 41 -5.971 -1.257 -7.809 784 H ALA 42 H ALA 42 -9.194 -1.986 -8.493 785 HA ALA 42 HA ALA 42 -9.131 0.897 -8.649 786 1HB ALA 42 1HB ALA 42 -10.973 -1.140 -9.969 787 2HB ALA 42 3HB ALA 42 -10.719 0.515 -10.524 788 3HB ALA 42 2HB ALA 42 -9.394 -0.648 -10.581 789 H ASN 43 H ASN 43 -11.676 -1.422 -7.650 790 HA ASN 43 HA ASN 43 -13.689 0.497 -6.972 791 1HB ASN 43 2HB ASN 43 -13.988 -1.965 -7.396 792 2HB ASN 43 1HB ASN 43 -13.200 -2.283 -5.852 793 1HD2 ASN 43 1HD2 ASN 43 -16.057 -0.585 -7.260 794 2HD2 ASN 43 2HD2 ASN 43 -17.006 -0.716 -5.859 795 H LEU 44 H LEU 44 -10.899 -0.831 -5.190 796 HA LEU 44 HA LEU 44 -11.667 0.008 -2.543 797 1HB LEU 44 2HB LEU 44 -9.301 -1.003 -4.000 798 2HB LEU 44 1HB LEU 44 -8.934 -0.071 -2.555 799 HG LEU 44 HG LEU 44 -11.144 -1.956 -2.182 800 1HD1 LEU 44 1HD1 LEU 44 -8.746 -2.874 -3.540 801 2HD1 LEU 44 3HD1 LEU 44 -8.902 -3.635 -1.951 802 3HD1 LEU 44 2HD1 LEU 44 -10.215 -3.774 -3.125 803 1HD2 LEU 44 3HD2 LEU 44 -8.722 -0.912 -0.781 804 2HD2 LEU 44 2HD2 LEU 44 -10.385 -1.081 -0.205 805 3HD2 LEU 44 1HD2 LEU 44 -9.325 -2.494 -0.271 806 H LEU 45 H LEU 45 -9.513 1.455 -4.924 807 HA LEU 45 HA LEU 45 -8.832 3.866 -3.599 808 1HB LEU 45 2HB LEU 45 -8.310 2.721 -6.030 809 2HB LEU 45 1HB LEU 45 -9.411 4.010 -6.514 810 HG LEU 45 HG LEU 45 -6.835 4.315 -4.957 811 1HD1 LEU 45 1HD1 LEU 45 -6.829 3.983 -7.501 812 2HD1 LEU 45 3HD1 LEU 45 -7.625 5.554 -7.596 813 3HD1 LEU 45 2HD1 LEU 45 -6.014 5.424 -6.891 814 1HD2 LEU 45 2HD2 LEU 45 -9.154 6.146 -5.403 815 2HD2 LEU 45 1HD2 LEU 45 -8.103 5.977 -3.994 816 3HD2 LEU 45 3HD2 LEU 45 -7.533 6.834 -5.430 817 H ALA 46 H ALA 46 -11.615 3.104 -5.717 818 HA ALA 46 HA ALA 46 -12.955 5.655 -5.583 819 1HB ALA 46 2HB ALA 46 -13.681 2.785 -6.141 820 2HB ALA 46 3HB ALA 46 -13.633 4.143 -7.265 821 3HB ALA 46 1HB ALA 46 -14.945 4.014 -6.091 822 H GLU 47 H GLU 47 -13.253 2.641 -3.676 823 HA GLU 47 HA GLU 47 -15.301 3.396 -1.869 824 1HB GLU 47 2HB GLU 47 -14.091 1.125 -2.367 825 2HB GLU 47 1HB GLU 47 -12.925 1.652 -1.153 826 1HG GLU 47 2HG GLU 47 -14.588 0.321 -0.016 827 2HG GLU 47 1HG GLU 47 -14.880 2.000 0.429 828 H ALA 48 H ALA 48 -11.823 4.045 -1.886 829 HA ALA 48 HA ALA 48 -11.492 5.031 0.790 830 1HB ALA 48 1HB ALA 48 -9.338 5.204 0.033 831 2HB ALA 48 2HB ALA 48 -9.811 6.295 -1.266 832 3HB ALA 48 3HB ALA 48 -9.933 4.541 -1.502 833 H LYS 49 H LYS 49 -11.938 6.810 -2.326 834 HA LYS 49 HA LYS 49 -12.299 9.421 -1.166 835 1HB LYS 49 2HB LYS 49 -13.036 8.077 -3.769 836 2HB LYS 49 1HB LYS 49 -13.493 9.753 -3.461 837 1HG LYS 49 2HG LYS 49 -11.435 10.312 -4.219 838 2HG LYS 49 1HG LYS 49 -10.832 9.689 -2.685 839 1HD LYS 49 2HD LYS 49 -10.278 7.593 -3.609 840 2HD LYS 49 1HD LYS 49 -11.292 7.848 -5.028 841 1HE LYS 49 2HE LYS 49 -9.079 8.199 -5.828 842 2HE LYS 49 1HE LYS 49 -9.688 9.842 -5.548 843 1HZ LYS 49 3HZ LYS 49 -8.233 8.274 -3.475 844 2HZ LYS 49 2HZ LYS 49 -7.457 9.357 -4.528 845 3HZ LYS 49 1HZ LYS 49 -8.628 9.924 -3.435 846 H LYS 50 H LYS 50 -14.669 6.906 -2.153 847 HA LYS 50 HA LYS 50 -17.083 8.322 -1.553 848 1HB LYS 50 2HB LYS 50 -16.291 5.391 -1.455 849 2HB LYS 50 1HB LYS 50 -17.954 5.927 -1.215 850 1HG LYS 50 2HG LYS 50 -18.085 6.839 -3.420 851 2HG LYS 50 1HG LYS 50 -16.343 6.721 -3.653 852 1HD LYS 50 2HD LYS 50 -17.277 4.889 -4.866 853 2HD LYS 50 1HD LYS 50 -16.613 4.192 -3.391 854 1HE LYS 50 2HE LYS 50 -19.345 5.024 -2.904 855 2HE LYS 50 1HE LYS 50 -19.283 3.969 -4.327 856 1HZ LYS 50 2HZ LYS 50 -17.929 2.402 -3.066 857 2HZ LYS 50 1HZ LYS 50 -18.009 3.404 -1.694 858 3HZ LYS 50 3HZ LYS 50 -19.414 2.665 -2.288 859 H LEU 51 H LEU 51 -14.969 6.332 0.535 860 HA LEU 51 HA LEU 51 -16.557 6.600 2.955 861 1HB LEU 51 2HB LEU 51 -14.886 4.798 2.381 862 2HB LEU 51 1HB LEU 51 -13.594 5.978 2.582 863 HG LEU 51 HG LEU 51 -15.626 5.399 4.751 864 1HD1 LEU 51 3HD1 LEU 51 -14.178 3.398 3.913 865 2HD1 LEU 51 2HD1 LEU 51 -12.865 4.226 4.751 866 3HD1 LEU 51 1HD1 LEU 51 -14.298 3.708 5.642 867 1HD2 LEU 51 1HD2 LEU 51 -13.312 7.156 4.458 868 2HD2 LEU 51 3HD2 LEU 51 -14.594 7.186 5.665 869 3HD2 LEU 51 2HD2 LEU 51 -13.195 6.131 5.884 870 H ASN 52 H ASN 52 -13.718 8.355 1.626 871 HA ASN 52 HA ASN 52 -13.061 10.006 3.819 872 1HB ASN 52 2HB ASN 52 -11.629 10.835 2.270 873 2HB ASN 52 1HB ASN 52 -12.291 9.636 1.192 874 1HD2 ASN 52 1HD2 ASN 52 -11.084 12.234 0.459 875 2HD2 ASN 52 2HD2 ASN 52 -12.292 13.127 -0.333 876 H ASP 53 H ASP 53 -15.765 10.272 1.541 877 HA ASP 53 HA ASP 53 -16.573 12.942 2.101 878 1HB ASP 53 2HB ASP 53 -17.255 11.301 0.232 879 2HB ASP 53 1HB ASP 53 -18.384 10.614 1.400 880 H ALA 54 H ALA 54 -17.217 9.842 3.764 881 HA ALA 54 HA ALA 54 -19.433 10.682 5.399 882 1HB ALA 54 1HB ALA 54 -18.336 8.369 4.831 883 2HB ALA 54 3HB ALA 54 -17.337 8.697 6.246 884 3HB ALA 54 2HB ALA 54 -19.089 8.593 6.412 885 H GLN 55 H GLN 55 -15.911 10.956 5.838 886 HA GLN 55 HA GLN 55 -16.157 12.053 8.572 887 1HB GLN 55 2HB GLN 55 -13.980 11.298 6.634 888 2HB GLN 55 1HB GLN 55 -13.579 12.218 8.069 889 1HG GLN 55 2HG GLN 55 -14.375 10.511 9.529 890 2HG GLN 55 1HG GLN 55 -15.187 9.668 8.209 891 1HE2 GLN 55 1HE2 GLN 55 -13.297 9.477 6.249 892 2HE2 GLN 55 2HE2 GLN 55 -11.939 8.623 6.805 893 H ALA 56 H ALA 56 -15.454 13.209 5.266 894 HA ALA 56 HA ALA 56 -15.903 16.021 6.148 895 1HB ALA 56 1HB ALA 56 -13.628 16.150 6.328 896 2HB ALA 56 2HB ALA 56 -13.690 16.258 4.567 897 3HB ALA 56 3HB ALA 56 -13.387 14.705 5.344 898 HA PRO 57 HA PRO 57 -17.783 16.229 2.119 899 1HB PRO 57 2HB PRO 57 -17.562 18.901 1.568 900 2HB PRO 57 1HB PRO 57 -18.713 18.250 2.753 901 1HG PRO 57 2HG PRO 57 -16.074 19.543 3.190 902 2HG PRO 57 1HG PRO 57 -17.571 19.694 4.122 903 1HD PRO 57 1HD PRO 57 -15.455 18.145 4.891 904 2HD PRO 57 2HD PRO 57 -17.138 17.816 5.361 905 H LYS 58 H LYS 58 -17.129 16.164 -0.071 906 HA LYS 58 HA LYS 58 -14.255 16.118 -0.625 907 1HB LYS 58 2HB LYS 58 -16.764 15.758 -2.293 908 2HB LYS 58 1HB LYS 58 -15.144 15.608 -2.971 909 1HG LYS 58 2HG LYS 58 -14.627 13.838 -1.306 910 2HG LYS 58 1HG LYS 58 -16.274 13.958 -0.691 911 1HD LYS 58 2HD LYS 58 -17.111 13.424 -3.001 912 2HD LYS 58 1HD LYS 58 -15.441 13.144 -3.490 913 1HE LYS 58 2HE LYS 58 -15.572 11.027 -2.692 914 2HE LYS 58 1HE LYS 58 -15.911 11.665 -1.074 915 1HZ LYS 58 1HZ LYS 58 -18.251 11.986 -1.794 916 2HZ LYS 58 3HZ LYS 58 -17.885 11.183 -3.245 917 3HZ LYS 58 2HZ LYS 58 -17.775 10.355 -1.766 No H/Q in entry = 917 Start of MODEL 16 1 H1 VAL 1 2H VAL 1 -6.302 -18.265 10.795 2 H2 VAL 1 1H VAL 1 -5.297 -19.619 10.994 3 H3 VAL 1 3H VAL 1 -6.421 -19.211 12.197 4 HA VAL 1 HA VAL 1 -5.227 -17.256 12.812 5 HB VAL 1 HB VAL 1 -3.477 -19.705 12.340 6 1HG1 VAL 1 2HG1 VAL 1 -3.004 -17.247 14.053 7 2HG1 VAL 1 1HG1 VAL 1 -2.141 -18.767 14.291 8 3HG1 VAL 1 3HG1 VAL 1 -1.967 -17.882 12.776 9 1HG2 VAL 1 1HG2 VAL 1 -5.227 -18.752 14.624 10 2HG2 VAL 1 3HG2 VAL 1 -5.321 -20.280 13.746 11 3HG2 VAL 1 2HG2 VAL 1 -3.978 -19.978 14.848 12 H ASP 2 H ASP 2 -4.027 -15.499 12.111 13 HA ASP 2 HA ASP 2 -3.100 -15.433 9.309 14 1HB ASP 2 2HB ASP 2 -4.382 -13.598 10.483 15 2HB ASP 2 1HB ASP 2 -2.973 -13.330 11.506 16 H ASN 3 H ASN 3 -1.049 -16.082 8.797 17 HA ASN 3 HA ASN 3 1.052 -16.495 10.781 18 1HB ASN 3 2HB ASN 3 0.696 -17.811 8.662 19 2HB ASN 3 1HB ASN 3 1.176 -16.388 7.744 20 1HD2 ASN 3 1HD2 ASN 3 2.435 -18.628 10.283 21 2HD2 ASN 3 2HD2 ASN 3 4.062 -18.452 9.830 22 H LYS 4 H LYS 4 3.230 -15.375 10.597 23 HA LYS 4 HA LYS 4 3.069 -12.555 10.833 24 1HB LYS 4 2HB LYS 4 5.548 -12.645 10.714 25 2HB LYS 4 1HB LYS 4 4.911 -13.934 11.729 26 1HG LYS 4 2HG LYS 4 5.082 -15.474 9.726 27 2HG LYS 4 1HG LYS 4 5.911 -14.174 8.875 28 1HD LYS 4 2HD LYS 4 7.610 -14.120 10.711 29 2HD LYS 4 1HD LYS 4 6.825 -15.528 11.429 30 1HE LYS 4 2HE LYS 4 7.690 -15.603 8.538 31 2HE LYS 4 1HE LYS 4 8.861 -15.927 9.828 32 1HZ LYS 4 1HZ LYS 4 7.306 -17.571 10.747 33 2HZ LYS 4 3HZ LYS 4 6.242 -17.299 9.452 34 3HZ LYS 4 2HZ LYS 4 7.773 -17.973 9.165 35 H PHE 5 H PHE 5 4.066 -14.468 7.938 36 HA PHE 5 HA PHE 5 4.553 -12.174 6.284 37 1HB PHE 5 2HB PHE 5 4.026 -15.094 5.706 38 2HB PHE 5 1HB PHE 5 4.454 -13.936 4.455 39 HD1 PHE 5 HD1 PHE 5 6.337 -12.365 6.610 40 HD2 PHE 5 HD2 PHE 5 6.062 -16.400 5.142 41 HE1 PHE 5 HE1 PHE 5 8.734 -12.710 7.109 42 HE2 PHE 5 HE2 PHE 5 8.463 -16.738 5.652 43 HZ PHE 5 HZ PHE 5 9.797 -14.896 6.635 44 H ASN 6 H ASN 6 1.608 -14.062 6.958 45 HA ASN 6 HA ASN 6 -0.014 -13.370 4.759 46 1HB ASN 6 2HB ASN 6 -0.440 -14.040 7.631 47 2HB ASN 6 1HB ASN 6 -1.805 -13.335 6.777 48 1HD2 ASN 6 1HD2 ASN 6 -2.827 -14.598 5.098 49 2HD2 ASN 6 2HD2 ASN 6 -2.408 -16.217 4.807 50 H LYS 7 H LYS 7 0.306 -11.446 7.828 51 HA LYS 7 HA LYS 7 -1.049 -9.175 6.461 52 1HB LYS 7 2HB LYS 7 -1.786 -9.768 8.691 53 2HB LYS 7 1HB LYS 7 -0.142 -9.589 9.324 54 1HG LYS 7 2HG LYS 7 -1.311 -7.267 7.872 55 2HG LYS 7 1HG LYS 7 -2.027 -7.639 9.434 56 1HD LYS 7 2HD LYS 7 0.902 -7.066 8.883 57 2HD LYS 7 1HD LYS 7 -0.233 -6.009 9.707 58 1HE LYS 7 2HE LYS 7 0.368 -6.988 11.663 59 2HE LYS 7 1HE LYS 7 -0.337 -8.505 11.077 60 1HZ LYS 7 2HZ LYS 7 1.739 -8.977 9.904 61 2HZ LYS 7 1HZ LYS 7 2.421 -7.532 10.488 62 3HZ LYS 7 3HZ LYS 7 2.025 -8.781 11.565 63 H GLU 8 H GLU 8 2.249 -10.158 7.266 64 HA GLU 8 HA GLU 8 3.406 -7.542 7.484 65 1HB GLU 8 2HB GLU 8 4.399 -10.302 6.868 66 2HB GLU 8 1HB GLU 8 5.471 -8.942 6.538 67 1HG GLU 8 2HG GLU 8 4.128 -9.524 9.199 68 2HG GLU 8 1HG GLU 8 5.834 -9.805 8.812 69 H GLN 9 H GLN 9 2.527 -9.536 4.707 70 HA GLN 9 HA GLN 9 3.870 -8.025 2.713 71 1HB GLN 9 2HB GLN 9 1.327 -9.661 2.658 72 2HB GLN 9 1HB GLN 9 2.129 -9.026 1.228 73 1HG GLN 9 2HG GLN 9 4.137 -10.309 1.717 74 2HG GLN 9 1HG GLN 9 3.414 -10.913 3.210 75 1HE2 GLN 9 1HE2 GLN 9 1.947 -12.694 3.044 76 2HE2 GLN 9 2HE2 GLN 9 1.510 -13.401 1.566 77 H GLN 10 H GLN 10 0.637 -7.702 4.230 78 HA GLN 10 HA GLN 10 -0.039 -5.293 2.672 79 1HB GLN 10 2HB GLN 10 -1.676 -5.261 4.863 80 2HB GLN 10 1HB GLN 10 -2.097 -5.816 3.285 81 1HG GLN 10 2HG GLN 10 -0.848 -7.689 5.272 82 2HG GLN 10 1HG GLN 10 -2.564 -7.331 5.326 83 1HE2 GLN 10 1HE2 GLN 10 -3.869 -7.895 3.354 84 2HE2 GLN 10 2HE2 GLN 10 -3.303 -9.101 2.303 85 H ASN 11 H ASN 11 1.281 -5.943 5.915 86 HA ASN 11 HA ASN 11 1.165 -3.178 6.761 87 1HB ASN 11 2HB ASN 11 1.647 -5.353 8.123 88 2HB ASN 11 1HB ASN 11 3.308 -5.165 7.560 89 1HD2 ASN 11 1HD2 ASN 11 4.625 -3.669 8.674 90 2HD2 ASN 11 2HD2 ASN 11 4.046 -2.592 9.850 91 H ALA 12 H ALA 12 3.637 -5.166 5.111 92 HA ALA 12 HA ALA 12 5.600 -3.068 4.775 93 1HB ALA 12 2HB ALA 12 5.003 -5.750 3.507 94 2HB ALA 12 3HB ALA 12 6.356 -5.302 4.555 95 3HB ALA 12 1HB ALA 12 6.301 -4.715 2.890 96 H PHE 13 H PHE 13 3.030 -4.426 2.668 97 HA PHE 13 HA PHE 13 3.382 -2.807 0.342 98 1HB PHE 13 2HB PHE 13 1.841 -4.709 0.355 99 2HB PHE 13 1HB PHE 13 0.958 -4.050 1.720 100 HD1 PHE 13 HD1 PHE 13 2.112 -2.525 -1.501 101 HD2 PHE 13 HD2 PHE 13 -1.185 -3.497 1.056 102 HE1 PHE 13 HE1 PHE 13 0.560 -1.467 -3.093 103 HE2 PHE 13 HE2 PHE 13 -2.734 -2.419 -0.530 104 HZ PHE 13 HZ PHE 13 -1.861 -1.412 -2.597 105 H TYR 14 H TYR 14 1.146 -2.367 3.056 106 HA TYR 14 HA TYR 14 0.138 0.197 2.578 107 1HB TYR 14 2HB TYR 14 -0.621 -1.420 4.246 108 2HB TYR 14 1HB TYR 14 0.861 -1.177 5.170 109 HD1 TYR 14 HD1 TYR 14 -2.234 0.454 3.952 110 HD2 TYR 14 HD2 TYR 14 1.186 0.759 6.525 111 HE1 TYR 14 HE1 TYR 14 -3.264 2.289 5.079 112 HE2 TYR 14 HE2 TYR 14 0.159 2.702 7.648 113 HH TYR 14 HH TYR 14 -1.604 4.466 7.043 114 H GLU 15 H GLU 15 2.922 -0.658 4.730 115 HA GLU 15 HA GLU 15 3.695 2.018 5.331 116 1HB GLU 15 2HB GLU 15 5.208 -0.608 5.242 117 2HB GLU 15 1HB GLU 15 5.910 0.884 5.863 118 1HG GLU 15 2HG GLU 15 3.384 -0.430 6.929 119 2HG GLU 15 1HG GLU 15 4.963 -0.492 7.699 120 H ILE 16 H ILE 16 4.736 -0.160 2.641 121 HA ILE 16 HA ILE 16 6.679 1.577 1.437 122 HB ILE 16 HB ILE 16 4.850 -0.649 0.575 123 1HG1 ILE 16 2HG1 ILE 16 7.734 -0.478 -0.124 124 2HG1 ILE 16 1HG1 ILE 16 7.356 -0.523 1.593 125 1HG2 ILE 16 3HG2 ILE 16 6.278 1.166 -1.357 126 2HG2 ILE 16 2HG2 ILE 16 5.860 -0.500 -1.759 127 3HG2 ILE 16 1HG2 ILE 16 4.591 0.664 -1.386 128 1HD1 ILE 16 2HD1 ILE 16 5.854 -2.462 -0.041 129 2HD1 ILE 16 1HD1 ILE 16 7.616 -2.731 0.026 130 3HD1 ILE 16 3HD1 ILE 16 6.672 -2.669 1.515 131 H LEU 17 H LEU 17 3.143 1.370 0.981 132 HA LEU 17 HA LEU 17 2.887 3.627 -0.838 133 1HB LEU 17 2HB LEU 17 0.918 2.326 1.079 134 2HB LEU 17 1HB LEU 17 0.477 3.463 -0.188 135 HG LEU 17 HG LEU 17 2.089 1.262 -1.219 136 1HD1 LEU 17 2HD1 LEU 17 0.150 0.552 0.716 137 2HD1 LEU 17 1HD1 LEU 17 -0.542 0.200 -0.878 138 3HD1 LEU 17 3HD1 LEU 17 1.002 -0.504 -0.410 139 1HD2 LEU 17 2HD2 LEU 17 0.364 3.005 -2.277 140 2HD2 LEU 17 1HD2 LEU 17 0.649 1.391 -2.971 141 3HD2 LEU 17 3HD2 LEU 17 -0.756 1.650 -1.915 142 H HIS 18 H HIS 18 2.685 3.347 2.729 143 HA HIS 18 HA HIS 18 1.918 6.177 3.053 144 1HB HIS 18 2HB HIS 18 2.334 3.809 4.889 145 2HB HIS 18 1HB HIS 18 2.006 5.420 5.522 146 HD1 HIS 18 HD1 HIS 18 -0.403 6.342 5.263 147 HD2 HIS 18 HD2 HIS 18 0.090 2.619 3.479 148 HE1 HIS 18 HE1 HIS 18 -2.702 5.480 4.568 149 H LEU 19 H LEU 19 4.996 4.746 2.637 150 HA LEU 19 HA LEU 19 6.499 6.125 4.696 151 1HB LEU 19 2HB LEU 19 7.105 4.797 2.063 152 2HB LEU 19 1HB LEU 19 8.357 5.777 2.818 153 HG LEU 19 HG LEU 19 6.906 3.563 4.295 154 1HD1 LEU 19 1HD1 LEU 19 9.380 3.483 2.563 155 2HD1 LEU 19 3HD1 LEU 19 9.138 2.327 3.874 156 3HD1 LEU 19 2HD1 LEU 19 7.989 2.399 2.543 157 1HD2 LEU 19 1HD2 LEU 19 8.292 5.497 5.447 158 2HD2 LEU 19 3HD2 LEU 19 8.503 3.827 5.986 159 3HD2 LEU 19 2HD2 LEU 19 9.676 4.559 4.891 160 HA PRO 20 HA PRO 20 5.890 10.244 3.128 161 1HB PRO 20 2HB PRO 20 7.874 11.493 4.557 162 2HB PRO 20 1HB PRO 20 6.303 11.022 5.236 163 1HG PRO 20 2HG PRO 20 8.923 9.594 5.371 164 2HG PRO 20 1HG PRO 20 7.737 9.889 6.656 165 1HD PRO 20 1HD PRO 20 7.881 7.519 5.432 166 2HD PRO 20 2HD PRO 20 6.316 8.211 5.914 167 H ASN 21 H ASN 21 8.987 8.560 2.646 168 HA ASN 21 HA ASN 21 9.701 10.674 0.636 169 1HB ASN 21 2HB ASN 21 11.423 8.840 2.319 170 2HB ASN 21 1HB ASN 21 12.055 9.904 1.066 171 1HD2 ASN 21 1HD2 ASN 21 10.944 9.794 4.370 172 2HD2 ASN 21 2HD2 ASN 21 11.090 11.454 4.684 173 H LEU 22 H LEU 22 8.219 7.762 0.580 174 HA LEU 22 HA LEU 22 9.860 6.519 -1.555 175 1HB LEU 22 2HB LEU 22 7.398 5.752 0.015 176 2HB LEU 22 1HB LEU 22 7.756 4.920 -1.491 177 HG LEU 22 HG LEU 22 9.224 4.835 1.124 178 1HD1 LEU 22 3HD1 LEU 22 8.425 2.892 -1.048 179 2HD1 LEU 22 2HD1 LEU 22 9.535 2.434 0.252 180 3HD1 LEU 22 1HD1 LEU 22 7.885 2.934 0.630 181 1HD2 LEU 22 2HD2 LEU 22 10.521 4.511 -1.598 182 2HD2 LEU 22 1HD2 LEU 22 11.011 5.608 -0.291 183 3HD2 LEU 22 3HD2 LEU 22 11.209 3.861 -0.106 184 H ASN 23 H ASN 23 9.252 6.469 -3.693 185 HA ASN 23 HA ASN 23 6.924 8.204 -4.477 186 1HB ASN 23 2HB ASN 23 8.332 8.632 -6.558 187 2HB ASN 23 1HB ASN 23 8.969 9.300 -5.070 188 1HD2 ASN 23 1HD2 ASN 23 11.040 8.513 -4.334 189 2HD2 ASN 23 2HD2 ASN 23 11.927 7.340 -5.181 190 H GLU 24 H GLU 24 6.646 7.627 -7.080 191 HA GLU 24 HA GLU 24 5.318 5.072 -7.083 192 1HB GLU 24 2HB GLU 24 4.911 5.585 -9.463 193 2HB GLU 24 1HB GLU 24 4.660 7.014 -8.472 194 1HG GLU 24 2HG GLU 24 7.426 6.812 -9.418 195 2HG GLU 24 1HG GLU 24 6.275 6.847 -10.744 196 H GLU 25 H GLU 25 8.611 5.985 -8.132 197 HA GLU 25 HA GLU 25 9.137 3.512 -9.570 198 1HB GLU 25 2HB GLU 25 10.391 5.694 -9.766 199 2HB GLU 25 1HB GLU 25 11.064 5.398 -8.165 200 1HG GLU 25 2HG GLU 25 12.011 3.240 -9.003 201 2HG GLU 25 1HG GLU 25 11.431 3.652 -10.617 202 H GLN 26 H GLN 26 9.948 4.624 -6.247 203 HA GLN 26 HA GLN 26 11.055 2.061 -5.404 204 1HB GLN 26 2HB GLN 26 10.484 4.748 -4.267 205 2HB GLN 26 1HB GLN 26 10.608 3.419 -3.117 206 1HG GLN 26 2HG GLN 26 12.816 4.440 -3.455 207 2HG GLN 26 1HG GLN 26 12.804 2.796 -4.082 208 1HE2 GLN 26 1HE2 GLN 26 13.535 2.555 -6.216 209 2HE2 GLN 26 2HE2 GLN 26 13.662 3.821 -7.338 210 H ARG 27 H ARG 27 8.042 3.783 -4.420 211 HA ARG 27 HA ARG 27 6.981 1.752 -2.767 212 1HB ARG 27 2HB ARG 27 6.137 4.060 -2.893 213 2HB ARG 27 1HB ARG 27 5.583 3.783 -4.539 214 1HG ARG 27 2HG ARG 27 4.121 1.930 -3.615 215 2HG ARG 27 1HG ARG 27 4.504 2.551 -2.010 216 1HD ARG 27 2HD ARG 27 2.425 3.582 -2.715 217 2HD ARG 27 1HD ARG 27 3.684 4.826 -2.826 218 HE ARG 27 HE ARG 27 2.895 3.172 -5.207 219 1HH1 ARG 27 1HH1 ARG 27 4.794 5.796 -4.306 220 2HH1 ARG 27 2HH1 ARG 27 4.176 6.883 -5.501 221 1HH2 ARG 27 1HH2 ARG 27 1.606 4.766 -6.507 222 2HH2 ARG 27 2HH2 ARG 27 2.373 6.297 -6.752 223 H ASN 28 H ASN 28 6.251 2.313 -6.282 224 HA ASN 28 HA ASN 28 4.413 0.090 -6.515 225 1HB ASN 28 2HB ASN 28 6.052 1.431 -8.663 226 2HB ASN 28 1HB ASN 28 4.602 0.501 -8.921 227 1HD2 ASN 28 1HD2 ASN 28 4.551 3.073 -9.920 228 2HD2 ASN 28 2HD2 ASN 28 3.584 4.074 -8.948 229 H ALA 29 H ALA 29 7.926 0.409 -7.158 230 HA ALA 29 HA ALA 29 8.401 -2.191 -8.286 231 1HB ALA 29 1HB ALA 29 9.956 -0.221 -8.105 232 2HB ALA 29 2HB ALA 29 10.677 -1.758 -7.615 233 3HB ALA 29 3HB ALA 29 10.137 -0.605 -6.388 234 H PHE 30 H PHE 30 8.211 -1.009 -4.947 235 HA PHE 30 HA PHE 30 8.972 -3.420 -3.600 236 1HB PHE 30 2HB PHE 30 7.387 -0.941 -2.963 237 2HB PHE 30 1HB PHE 30 7.500 -2.250 -1.787 238 HD1 PHE 30 HD1 PHE 30 8.699 0.646 -1.666 239 HD2 PHE 30 HD2 PHE 30 10.322 -3.181 -2.707 240 HE1 PHE 30 HE1 PHE 30 10.938 1.381 -0.921 241 HE2 PHE 30 HE2 PHE 30 12.534 -2.457 -1.972 242 HZ PHE 30 HZ PHE 30 12.848 -0.223 -1.070 243 H ILE 31 H ILE 31 5.857 -2.114 -4.614 244 HA ILE 31 HA ILE 31 4.264 -4.250 -3.562 245 HB ILE 31 HB ILE 31 3.904 -2.192 -5.753 246 1HG1 ILE 31 2HG1 ILE 31 2.614 -2.351 -3.061 247 2HG1 ILE 31 1HG1 ILE 31 4.213 -1.654 -3.235 248 1HG2 ILE 31 2HG2 ILE 31 2.262 -4.483 -5.119 249 2HG2 ILE 31 1HG2 ILE 31 1.424 -2.962 -4.810 250 3HG2 ILE 31 3HG2 ILE 31 2.080 -3.295 -6.412 251 1HD1 ILE 31 3HD1 ILE 31 1.771 -0.763 -4.787 252 2HD1 ILE 31 2HD1 ILE 31 2.385 0.022 -3.310 253 3HD1 ILE 31 1HD1 ILE 31 3.381 0.008 -4.767 254 H GLN 32 H GLN 32 6.300 -3.975 -6.472 255 HA GLN 32 HA GLN 32 5.172 -6.322 -7.821 256 1HB GLN 32 2HB GLN 32 7.749 -4.734 -8.092 257 2HB GLN 32 1HB GLN 32 7.345 -6.092 -9.142 258 1HG GLN 32 2HG GLN 32 5.275 -4.967 -9.818 259 2HG GLN 32 1HG GLN 32 5.649 -3.606 -8.767 260 1HE2 GLN 32 1HE2 GLN 32 5.530 -4.092 -11.903 261 2HE2 GLN 32 2HE2 GLN 32 6.940 -3.315 -12.440 262 H SER 33 H SER 33 8.200 -5.707 -5.959 263 HA SER 33 HA SER 33 9.109 -8.438 -5.798 264 1HB SER 33 2HB SER 33 10.481 -7.449 -3.908 265 2HB SER 33 1HB SER 33 10.621 -6.626 -5.455 266 HG SER 33 HG SER 33 10.162 -4.977 -4.182 267 H LEU 34 H LEU 34 6.915 -6.538 -3.815 268 HA LEU 34 HA LEU 34 6.726 -8.417 -1.597 269 1HB LEU 34 2HB LEU 34 6.479 -5.919 -1.551 270 2HB LEU 34 1HB LEU 34 4.990 -6.081 -2.469 271 HG LEU 34 HG LEU 34 4.231 -7.640 -0.532 272 1HD1 LEU 34 3HD1 LEU 34 6.616 -6.230 0.642 273 2HD1 LEU 34 2HD1 LEU 34 5.300 -6.854 1.636 274 3HD1 LEU 34 1HD1 LEU 34 6.255 -7.956 0.644 275 1HD2 LEU 34 2HD2 LEU 34 3.984 -4.910 -1.040 276 2HD2 LEU 34 1HD2 LEU 34 3.018 -5.856 0.090 277 3HD2 LEU 34 3HD2 LEU 34 4.439 -4.990 0.662 278 H LYS 35 H LYS 35 4.556 -7.566 -4.380 279 HA LYS 35 HA LYS 35 2.475 -9.444 -3.666 280 1HB LYS 35 2HB LYS 35 3.161 -7.721 -6.014 281 2HB LYS 35 1HB LYS 35 2.074 -9.033 -6.324 282 1HG LYS 35 2HG LYS 35 1.066 -7.994 -3.993 283 2HG LYS 35 1HG LYS 35 1.566 -6.570 -4.908 284 1HD LYS 35 2HD LYS 35 0.061 -6.963 -6.611 285 2HD LYS 35 1HD LYS 35 0.099 -8.711 -6.386 286 1HE LYS 35 2HE LYS 35 -0.988 -7.259 -4.056 287 2HE LYS 35 1HE LYS 35 -1.957 -7.079 -5.530 288 1HZ LYS 35 2HZ LYS 35 -0.947 -9.674 -4.470 289 2HZ LYS 35 1HZ LYS 35 -2.533 -9.099 -4.268 290 3HZ LYS 35 3HZ LYS 35 -1.958 -9.461 -5.823 291 H ASP 36 H ASP 36 5.484 -9.781 -5.523 292 HA ASP 36 HA ASP 36 4.828 -12.451 -6.558 293 1HB ASP 36 2HB ASP 36 7.228 -10.626 -6.510 294 2HB ASP 36 1HB ASP 36 7.429 -12.309 -6.984 295 H ASP 37 H ASP 37 7.119 -11.214 -4.033 296 HA ASP 37 HA ASP 37 7.221 -13.991 -2.901 297 1HB ASP 37 2HB ASP 37 9.284 -12.856 -3.894 298 2HB ASP 37 1HB ASP 37 9.223 -11.764 -2.512 299 HA PRO 38 HA PRO 38 5.029 -11.998 0.529 300 1HB PRO 38 2HB PRO 38 4.514 -14.322 1.874 301 2HB PRO 38 1HB PRO 38 3.583 -13.797 0.458 302 1HG PRO 38 2HG PRO 38 5.805 -15.772 0.613 303 2HG PRO 38 1HG PRO 38 4.267 -15.870 -0.258 304 1HD PRO 38 1HD PRO 38 6.574 -15.227 -1.484 305 2HD PRO 38 2HD PRO 38 5.004 -14.561 -1.984 306 H SER 39 H SER 39 7.637 -14.435 0.919 307 HA SER 39 HA SER 39 8.158 -14.037 3.705 308 1HB SER 39 2HB SER 39 8.865 -15.937 2.196 309 2HB SER 39 1HB SER 39 10.109 -14.876 1.543 310 HG SER 39 HG SER 39 11.191 -15.002 3.382 311 H GLN 40 H GLN 40 9.514 -12.258 0.885 312 HA GLN 40 HA GLN 40 11.408 -10.840 2.644 313 1HB GLN 40 2HB GLN 40 12.163 -9.786 0.581 314 2HB GLN 40 1HB GLN 40 11.963 -11.519 0.303 315 1HG GLN 40 2HG GLN 40 9.839 -11.154 -0.781 316 2HG GLN 40 1HG GLN 40 9.855 -9.457 -0.333 317 1HE2 GLN 40 1HE2 GLN 40 11.543 -11.859 -2.401 318 2HE2 GLN 40 2HE2 GLN 40 12.182 -10.710 -3.473 319 H SER 41 H SER 41 8.152 -10.493 2.462 320 HA SER 41 HA SER 41 7.670 -7.801 1.748 321 1HB SER 41 2HB SER 41 5.630 -8.083 3.146 322 2HB SER 41 1HB SER 41 5.933 -9.519 2.176 323 HG SER 41 HG SER 41 5.522 -10.200 4.244 324 H ALA 42 H ALA 42 8.588 -9.076 5.025 325 HA ALA 42 HA ALA 42 8.515 -6.508 6.356 326 1HB ALA 42 1HB ALA 42 10.353 -8.874 6.722 327 2HB ALA 42 2HB ALA 42 8.764 -8.690 7.482 328 3HB ALA 42 3HB ALA 42 10.083 -7.592 7.902 329 H ASN 43 H ASN 43 11.163 -8.292 4.736 330 HA ASN 43 HA ASN 43 13.288 -6.417 4.997 331 1HB ASN 43 2HB ASN 43 12.462 -8.585 3.112 332 2HB ASN 43 1HB ASN 43 13.775 -7.513 2.608 333 1HD2 ASN 43 1HD2 ASN 43 15.550 -7.236 4.457 334 2HD2 ASN 43 2HD2 ASN 43 15.955 -8.646 5.309 335 H LEU 44 H LEU 44 10.641 -6.711 2.637 336 HA LEU 44 HA LEU 44 11.480 -4.642 0.845 337 1HB LEU 44 2HB LEU 44 8.880 -5.989 1.504 338 2HB LEU 44 1HB LEU 44 8.965 -4.700 0.298 339 HG LEU 44 HG LEU 44 10.691 -7.172 0.301 340 1HD1 LEU 44 3HD1 LEU 44 8.163 -7.354 -0.122 341 2HD1 LEU 44 2HD1 LEU 44 8.500 -6.511 -1.637 342 3HD1 LEU 44 1HD1 LEU 44 9.252 -8.076 -1.307 343 1HD2 LEU 44 3HD2 LEU 44 10.904 -4.585 -0.959 344 2HD2 LEU 44 2HD2 LEU 44 11.956 -6.009 -1.117 345 3HD2 LEU 44 1HD2 LEU 44 10.565 -5.830 -2.203 346 H LEU 45 H LEU 45 9.355 -4.645 3.707 347 HA LEU 45 HA LEU 45 8.822 -1.787 3.446 348 1HB LEU 45 2HB LEU 45 7.353 -3.121 4.751 349 2HB LEU 45 1HB LEU 45 8.674 -3.753 5.731 350 HG LEU 45 HG LEU 45 9.053 -1.617 6.741 351 1HD1 LEU 45 2HD1 LEU 45 7.135 -0.583 4.631 352 2HD1 LEU 45 1HD1 LEU 45 7.555 0.355 6.062 353 3HD1 LEU 45 3HD1 LEU 45 8.809 -0.085 4.901 354 1HD2 LEU 45 1HD2 LEU 45 7.168 -2.982 7.573 355 2HD2 LEU 45 3HD2 LEU 45 6.924 -1.259 7.858 356 3HD2 LEU 45 2HD2 LEU 45 6.073 -2.066 6.539 357 H ALA 46 H ALA 46 11.209 -3.765 5.269 358 HA ALA 46 HA ALA 46 12.620 -1.656 6.615 359 1HB ALA 46 2HB ALA 46 13.272 -4.360 5.459 360 2HB ALA 46 1HB ALA 46 14.597 -3.333 6.024 361 3HB ALA 46 3HB ALA 46 13.324 -3.827 7.148 362 H GLU 47 H GLU 47 13.186 -3.030 3.316 363 HA GLU 47 HA GLU 47 15.296 -1.152 2.717 364 1HB GLU 47 2HB GLU 47 15.082 -2.025 0.409 365 2HB GLU 47 1HB GLU 47 15.196 -3.312 1.597 366 1HG GLU 47 2HG GLU 47 12.679 -3.403 1.496 367 2HG GLU 47 1HG GLU 47 12.811 -2.372 0.075 368 H ALA 48 H ALA 48 11.727 -1.176 2.210 369 HA ALA 48 HA ALA 48 11.641 1.235 0.639 370 1HB ALA 48 3HB ALA 48 9.883 -0.498 0.980 371 2HB ALA 48 2HB ALA 48 9.714 0.053 2.654 372 3HB ALA 48 1HB ALA 48 9.296 1.128 1.310 373 H LYS 49 H LYS 49 11.732 0.553 4.138 374 HA LYS 49 HA LYS 49 11.327 3.310 4.998 375 1HB LYS 49 2HB LYS 49 11.816 0.614 6.099 376 2HB LYS 49 1HB LYS 49 12.460 1.913 7.089 377 1HG LYS 49 2HG LYS 49 10.374 2.811 7.511 378 2HG LYS 49 1HG LYS 49 9.730 2.294 5.954 379 1HD LYS 49 2HD LYS 49 8.641 0.863 7.422 380 2HD LYS 49 1HD LYS 49 10.027 -0.107 6.912 381 1HE LYS 49 2HE LYS 49 11.251 0.502 8.918 382 2HE LYS 49 1HE LYS 49 9.961 1.621 9.400 383 1HZ LYS 49 1HZ LYS 49 9.634 -1.314 8.990 384 2HZ LYS 49 3HZ LYS 49 9.710 -0.542 10.498 385 3HZ LYS 49 2HZ LYS 49 8.406 -0.234 9.455 386 H LYS 50 H LYS 50 13.976 1.142 4.287 387 HA LYS 50 HA LYS 50 16.244 2.701 5.125 388 1HB LYS 50 2HB LYS 50 16.548 0.389 4.686 389 2HB LYS 50 1HB LYS 50 15.556 0.458 3.247 390 1HG LYS 50 2HG LYS 50 17.539 1.988 2.349 391 2HG LYS 50 1HG LYS 50 18.451 1.084 3.560 392 1HD LYS 50 2HD LYS 50 16.635 -0.295 1.551 393 2HD LYS 50 1HD LYS 50 18.341 0.038 1.211 394 1HE LYS 50 2HE LYS 50 18.940 -1.218 3.325 395 2HE LYS 50 1HE LYS 50 17.231 -1.678 3.468 396 1HZ LYS 50 3HZ LYS 50 17.345 -2.579 1.200 397 2HZ LYS 50 2HZ LYS 50 19.002 -2.208 1.131 398 3HZ LYS 50 1HZ LYS 50 18.432 -3.365 2.238 399 H LEU 51 H LEU 51 14.268 2.476 2.162 400 HA LEU 51 HA LEU 51 15.769 4.407 0.577 401 1HB LEU 51 2HB LEU 51 13.276 2.802 0.465 402 2HB LEU 51 1HB LEU 51 13.215 4.304 -0.443 403 HG LEU 51 HG LEU 51 14.834 3.626 -1.940 404 1HD1 LEU 51 1HD1 LEU 51 15.889 1.989 0.337 405 2HD1 LEU 51 3HD1 LEU 51 16.288 1.508 -1.311 406 3HD1 LEU 51 2HD1 LEU 51 16.749 3.110 -0.723 407 1HD2 LEU 51 3HD2 LEU 51 12.862 1.735 -1.259 408 2HD2 LEU 51 2HD2 LEU 51 13.711 1.889 -2.800 409 3HD2 LEU 51 1HD2 LEU 51 14.342 0.816 -1.550 410 H ASN 52 H ASN 52 12.950 4.487 2.713 411 HA ASN 52 HA ASN 52 11.944 7.078 2.242 412 1HB ASN 52 2HB ASN 52 10.963 5.212 3.607 413 2HB ASN 52 1HB ASN 52 12.144 5.564 4.863 414 1HD2 ASN 52 1HD2 ASN 52 11.628 7.201 6.336 415 2HD2 ASN 52 2HD2 ASN 52 10.308 8.253 6.167 416 H ASP 53 H ASP 53 14.587 6.006 4.415 417 HA ASP 53 HA ASP 53 15.116 8.755 5.367 418 1HB ASP 53 2HB ASP 53 15.301 6.589 6.687 419 2HB ASP 53 1HB ASP 53 16.756 6.246 5.753 420 H ALA 54 H ALA 54 16.719 6.362 3.213 421 HA ALA 54 HA ALA 54 19.096 7.898 2.667 422 1HB ALA 54 2HB ALA 54 17.622 5.874 0.943 423 2HB ALA 54 1HB ALA 54 19.327 6.307 0.805 424 3HB ALA 54 3HB ALA 54 18.743 5.460 2.238 425 H GLN 55 H GLN 55 16.042 7.545 0.810 426 HA GLN 55 HA GLN 55 16.666 9.572 -1.170 427 1HB GLN 55 2HB GLN 55 14.053 8.350 -0.240 428 2HB GLN 55 1HB GLN 55 14.230 9.350 -1.676 429 1HG GLN 55 2HG GLN 55 15.925 7.706 -2.545 430 2HG GLN 55 1HG GLN 55 15.557 6.662 -1.170 431 1HE2 GLN 55 1HE2 GLN 55 12.877 6.620 -0.929 432 2HE2 GLN 55 2HE2 GLN 55 12.109 6.163 -2.372 433 H ALA 56 H ALA 56 15.248 9.627 2.067 434 HA ALA 56 HA ALA 56 13.820 12.070 2.085 435 1HB ALA 56 3HB ALA 56 15.073 11.926 4.558 436 2HB ALA 56 1HB ALA 56 15.090 10.249 4.012 437 3HB ALA 56 2HB ALA 56 13.563 11.122 4.131 438 HA PRO 57 HA PRO 57 16.730 15.310 1.844 439 1HB PRO 57 2HB PRO 57 15.666 17.119 3.611 440 2HB PRO 57 1HB PRO 57 14.975 16.790 2.010 441 1HG PRO 57 2HG PRO 57 14.148 15.726 4.671 442 2HG PRO 57 1HG PRO 57 13.148 16.319 3.334 443 1HD PRO 57 1HD PRO 57 13.520 13.689 3.784 444 2HD PRO 57 2HD PRO 57 13.327 14.349 2.144 445 H LYS 58 H LYS 58 16.020 13.939 5.031 446 HA LYS 58 HA LYS 58 18.402 15.137 6.304 447 1HB LYS 58 2HB LYS 58 16.134 14.659 7.394 448 2HB LYS 58 1HB LYS 58 16.559 12.950 7.323 449 1HG LYS 58 2HG LYS 58 18.812 14.300 8.412 450 2HG LYS 58 1HG LYS 58 17.393 14.938 9.240 451 1HD LYS 58 2HD LYS 58 17.721 13.082 10.554 452 2HD LYS 58 1HD LYS 58 16.754 12.320 9.291 453 1HE LYS 58 2HE LYS 58 19.605 12.422 8.586 454 2HE LYS 58 1HE LYS 58 19.303 11.507 10.074 455 1HZ LYS 58 1HZ LYS 58 17.795 11.152 7.530 456 2HZ LYS 58 3HZ LYS 58 19.043 10.136 8.060 457 3HZ LYS 58 2HZ LYS 58 17.602 10.240 8.952 458 H1 VAL 1 2H VAL 1 5.067 -15.293 -17.610 459 H2 VAL 1 1H VAL 1 6.722 -14.974 -17.828 460 H3 VAL 1 3H VAL 1 6.221 -16.085 -16.653 461 HA VAL 1 HA VAL 1 6.788 -14.108 -15.483 462 HB VAL 1 HB VAL 1 5.620 -11.952 -16.159 463 1HG1 VAL 1 1HG1 VAL 1 7.989 -12.702 -16.847 464 2HG1 VAL 1 3HG1 VAL 1 7.286 -13.018 -18.434 465 3HG1 VAL 1 2HG1 VAL 1 7.250 -11.389 -17.763 466 1HG2 VAL 1 2HG2 VAL 1 3.828 -13.162 -17.523 467 2HG2 VAL 1 1HG2 VAL 1 4.561 -11.757 -18.297 468 3HG2 VAL 1 3HG2 VAL 1 5.055 -13.382 -18.770 469 H ASP 2 H ASP 2 5.387 -13.013 -13.840 470 HA ASP 2 HA ASP 2 3.116 -14.717 -13.087 471 1HB ASP 2 2HB ASP 2 3.195 -13.403 -11.024 472 2HB ASP 2 1HB ASP 2 4.836 -13.821 -11.502 473 H ASN 3 H ASN 3 1.078 -13.486 -12.194 474 HA ASN 3 HA ASN 3 0.250 -11.317 -14.091 475 1HB ASN 3 2HB ASN 3 -1.965 -12.471 -14.222 476 2HB ASN 3 1HB ASN 3 -0.653 -13.477 -14.826 477 1HD2 ASN 3 1HD2 ASN 3 -0.044 -15.381 -13.544 478 2HD2 ASN 3 2HD2 ASN 3 -1.026 -15.942 -12.279 479 H LYS 4 H LYS 4 1.234 -10.764 -11.532 480 HA LYS 4 HA LYS 4 -0.989 -10.446 -9.622 481 1HB LYS 4 2HB LYS 4 0.732 -9.620 -8.165 482 2HB LYS 4 1HB LYS 4 1.483 -10.904 -9.107 483 1HG LYS 4 2HG LYS 4 2.248 -9.050 -10.723 484 2HG LYS 4 1HG LYS 4 1.785 -7.917 -9.456 485 1HD LYS 4 2HD LYS 4 3.284 -9.155 -7.874 486 2HD LYS 4 1HD LYS 4 3.828 -10.138 -9.228 487 1HE LYS 4 2HE LYS 4 3.967 -7.122 -9.370 488 2HE LYS 4 1HE LYS 4 5.260 -8.063 -8.617 489 1HZ LYS 4 1HZ LYS 4 4.194 -8.505 -11.360 490 2HZ LYS 4 3HZ LYS 4 5.669 -7.753 -10.988 491 3HZ LYS 4 2HZ LYS 4 5.439 -9.395 -10.621 492 H PHE 5 H PHE 5 -1.815 -8.354 -8.914 493 HA PHE 5 HA PHE 5 -1.843 -6.297 -11.061 494 1HB PHE 5 2HB PHE 5 -3.515 -6.932 -8.617 495 2HB PHE 5 1HB PHE 5 -3.785 -5.509 -9.603 496 HD1 PHE 5 HD1 PHE 5 -4.306 -5.803 -12.086 497 HD2 PHE 5 HD2 PHE 5 -4.307 -9.069 -9.293 498 HE1 PHE 5 HE1 PHE 5 -5.620 -7.168 -13.682 499 HE2 PHE 5 HE2 PHE 5 -5.623 -10.431 -10.890 500 HZ PHE 5 HZ PHE 5 -6.280 -9.482 -13.084 501 H ASN 6 H ASN 6 0.603 -6.208 -9.849 502 HA ASN 6 HA ASN 6 0.831 -4.631 -7.462 503 1HB ASN 6 2HB ASN 6 3.168 -4.508 -8.054 504 2HB ASN 6 1HB ASN 6 2.585 -6.093 -8.549 505 1HD2 ASN 6 1HD2 ASN 6 2.499 -6.551 -10.875 506 2HD2 ASN 6 2HD2 ASN 6 3.145 -5.485 -12.021 507 H LYS 7 H LYS 7 0.603 -3.736 -10.856 508 HA LYS 7 HA LYS 7 1.203 -0.944 -10.655 509 1HB LYS 7 2HB LYS 7 -0.515 -2.599 -12.522 510 2HB LYS 7 1HB LYS 7 -0.166 -0.892 -12.811 511 1HG LYS 7 2HG LYS 7 2.259 -1.385 -12.831 512 2HG LYS 7 1HG LYS 7 1.915 -3.089 -12.537 513 1HD LYS 7 2HD LYS 7 2.211 -2.968 -14.877 514 2HD LYS 7 1HD LYS 7 0.460 -2.968 -14.673 515 1HE LYS 7 2HE LYS 7 0.434 -0.493 -14.864 516 2HE LYS 7 1HE LYS 7 2.195 -0.498 -15.084 517 1HZ LYS 7 3HZ LYS 7 0.237 -1.948 -16.800 518 2HZ LYS 7 2HZ LYS 7 1.041 -0.513 -17.222 519 3HZ LYS 7 1HZ LYS 7 1.923 -1.947 -17.004 520 H GLU 8 H GLU 8 -1.760 -2.777 -10.215 521 HA GLU 8 HA GLU 8 -3.537 -0.533 -9.940 522 1HB GLU 8 2HB GLU 8 -3.562 -3.463 -9.564 523 2HB GLU 8 1HB GLU 8 -4.711 -2.589 -8.553 524 1HG GLU 8 2HG GLU 8 -5.411 -1.360 -10.697 525 2HG GLU 8 1HG GLU 8 -4.509 -2.601 -11.568 526 H LEU 9 H LEU 9 -1.488 -2.263 -7.628 527 HA LEU 9 HA LEU 9 -2.669 -0.929 -5.309 528 1HB LEU 9 2HB LEU 9 0.090 -2.103 -5.356 529 2HB LEU 9 1HB LEU 9 -1.045 -2.014 -4.063 530 HG LEU 9 HG LEU 9 -1.582 -3.719 -6.465 531 1HD1 LEU 9 3HD1 LEU 9 0.319 -4.096 -4.315 532 2HD1 LEU 9 2HD1 LEU 9 -0.954 -5.316 -4.212 533 3HD1 LEU 9 1HD1 LEU 9 0.004 -5.166 -5.691 534 1HD2 LEU 9 3HD2 LEU 9 -3.512 -2.945 -5.037 535 2HD2 LEU 9 2HD2 LEU 9 -3.272 -4.704 -4.987 536 3HD2 LEU 9 1HD2 LEU 9 -2.718 -3.706 -3.646 537 H SER 10 H SER 10 -0.186 -0.255 -7.647 538 HA SER 10 HA SER 10 1.300 1.733 -6.200 539 1HB SER 10 2HB SER 10 2.431 1.231 -8.109 540 2HB SER 10 1HB SER 10 1.018 0.590 -8.889 541 HG SER 10 HG SER 10 0.870 2.387 -9.963 542 H VAL 11 H VAL 11 -1.464 1.880 -8.510 543 HA VAL 11 HA VAL 11 -1.931 4.756 -8.053 544 HB VAL 11 HB VAL 11 -3.623 2.702 -9.524 545 1HG1 VAL 11 1HG1 VAL 11 -3.301 5.705 -9.806 546 2HG1 VAL 11 3HG1 VAL 11 -4.255 4.690 -10.888 547 3HG1 VAL 11 2HG1 VAL 11 -4.723 4.854 -9.197 548 1HG2 VAL 11 1HG2 VAL 11 -1.241 4.305 -10.522 549 2HG2 VAL 11 3HG2 VAL 11 -1.325 2.546 -10.362 550 3HG2 VAL 11 2HG2 VAL 11 -2.330 3.377 -11.555 551 H ALA 12 H ALA 12 -3.982 1.825 -7.621 552 HA ALA 12 HA ALA 12 -6.035 3.044 -6.068 553 1HB ALA 12 1HB ALA 12 -5.926 0.764 -7.261 554 2HB ALA 12 2HB ALA 12 -6.766 0.812 -5.712 555 3HB ALA 12 3HB ALA 12 -5.116 0.168 -5.800 556 H GLY 13 H GLY 13 -3.185 1.249 -5.021 557 1HA GLY 13 1HA GLY 13 -2.097 1.100 -2.988 558 2HA GLY 13 2HA GLY 13 -3.674 1.333 -2.238 559 H ARG 14 H ARG 14 -1.323 3.312 -4.080 560 HA ARG 14 HA ARG 14 -0.745 5.004 -1.894 561 1HB ARG 14 2HB ARG 14 0.143 4.688 -4.475 562 2HB ARG 14 1HB ARG 14 -0.532 6.311 -4.529 563 1HG ARG 14 2HG ARG 14 1.476 5.268 -2.505 564 2HG ARG 14 1HG ARG 14 1.847 6.346 -3.846 565 1HD ARG 14 2HD ARG 14 0.632 8.146 -2.863 566 2HD ARG 14 1HD ARG 14 -0.149 7.058 -1.695 567 HE ARG 14 HE ARG 14 1.956 6.803 -0.545 568 1HH1 ARG 14 1HH1 ARG 14 1.859 9.823 -0.902 569 2HH1 ARG 14 2HH1 ARG 14 3.451 10.153 -1.495 570 1HH2 ARG 14 1HH2 ARG 14 4.117 6.833 -2.314 571 2HH2 ARG 14 2HH2 ARG 14 4.740 8.446 -2.299 572 H GLU 15 H GLU 15 -3.324 5.423 -4.394 573 HA GLU 15 HA GLU 15 -4.108 8.092 -3.576 574 1HB GLU 15 2HB GLU 15 -5.542 5.799 -4.943 575 2HB GLU 15 1HB GLU 15 -6.300 7.368 -4.682 576 1HG GLU 15 2HG GLU 15 -3.730 6.888 -6.226 577 2HG GLU 15 1HG GLU 15 -5.299 7.254 -6.934 578 H ILE 16 H ILE 16 -5.131 4.844 -2.558 579 HA ILE 16 HA ILE 16 -7.119 5.570 -0.589 580 HB ILE 16 HB ILE 16 -5.358 3.170 -1.222 581 1HG1 ILE 16 2HG1 ILE 16 -8.367 3.373 -1.258 582 2HG1 ILE 16 1HG1 ILE 16 -7.398 3.947 -2.609 583 1HG2 ILE 16 2HG2 ILE 16 -7.154 3.557 1.135 584 2HG2 ILE 16 1HG2 ILE 16 -7.105 1.964 0.351 585 3HG2 ILE 16 3HG2 ILE 16 -5.630 2.680 1.024 586 1HD1 ILE 16 1HD1 ILE 16 -6.351 1.427 -2.108 587 2HD1 ILE 16 3HD1 ILE 16 -8.080 1.211 -1.824 588 3HD1 ILE 16 2HD1 ILE 16 -7.512 1.829 -3.376 589 H VAL 17 H VAL 17 -3.592 5.449 -0.572 590 HA VAL 17 HA VAL 17 -3.230 5.672 2.330 591 HB VAL 17 HB VAL 17 -1.446 5.950 -0.118 592 1HG1 VAL 17 3HG1 VAL 17 -0.895 6.679 2.662 593 2HG1 VAL 17 2HG1 VAL 17 0.257 5.521 1.995 594 3HG1 VAL 17 1HG1 VAL 17 -0.002 7.069 1.190 595 1HG2 VAL 17 2HG2 VAL 17 -2.285 3.721 1.586 596 2HG2 VAL 17 1HG2 VAL 17 -1.494 3.716 -0.013 597 3HG2 VAL 17 3HG2 VAL 17 -0.530 3.867 1.452 598 H THR 18 H THR 18 -3.182 7.903 -0.479 599 HA THR 18 HA THR 18 -2.261 10.165 1.144 600 HB THR 18 HB THR 18 -2.331 11.345 -1.048 601 HG1 THR 18 HG1 THR 18 -2.893 8.928 -2.325 602 1HG2 THR 18 2HG2 THR 18 -0.952 8.686 -0.749 603 2HG2 THR 18 1HG2 THR 18 -0.668 9.715 -2.153 604 3HG2 THR 18 3HG2 THR 18 -0.283 10.304 -0.537 605 H LEU 19 H LEU 19 -5.551 9.115 0.249 606 HA LEU 19 HA LEU 19 -6.617 11.800 0.086 607 1HB LEU 19 2HB LEU 19 -8.783 10.770 0.437 608 2HB LEU 19 1HB LEU 19 -7.818 9.819 -0.671 609 HG LEU 19 HG LEU 19 -7.368 8.931 2.035 610 1HD1 LEU 19 2HD1 LEU 19 -9.606 9.964 2.322 611 2HD1 LEU 19 1HD1 LEU 19 -10.215 8.934 1.024 612 3HD1 LEU 19 3HD1 LEU 19 -9.647 8.206 2.526 613 1HD2 LEU 19 2HD2 LEU 19 -8.451 7.771 -0.534 614 2HD2 LEU 19 1HD2 LEU 19 -6.905 7.442 0.242 615 3HD2 LEU 19 3HD2 LEU 19 -8.395 6.816 0.947 616 HA PRO 20 HA PRO 20 -6.058 12.984 4.293 617 1HB PRO 20 2HB PRO 20 -7.037 15.513 4.033 618 2HB PRO 20 1HB PRO 20 -5.486 14.991 3.353 619 1HG PRO 20 2HG PRO 20 -8.002 15.606 1.991 620 2HG PRO 20 1HG PRO 20 -6.355 15.553 1.352 621 1HD PRO 20 1HD PRO 20 -8.413 13.550 1.128 622 2HD PRO 20 2HD PRO 20 -6.768 13.531 0.457 623 H ASN 21 H ASN 21 -9.357 13.199 2.933 624 HA ASN 21 HA ASN 21 -10.706 14.174 5.269 625 1HB ASN 21 2HB ASN 21 -11.383 12.722 2.775 626 2HB ASN 21 1HB ASN 21 -12.589 12.686 4.056 627 1HD2 ASN 21 1HD2 ASN 21 -14.047 14.087 2.833 628 2HD2 ASN 21 2HD2 ASN 21 -13.715 15.742 2.625 629 H LEU 22 H LEU 22 -9.641 10.891 4.432 630 HA LEU 22 HA LEU 22 -11.130 9.778 6.735 631 1HB LEU 22 2HB LEU 22 -11.106 7.867 5.509 632 2HB LEU 22 1HB LEU 22 -10.583 8.894 4.191 633 HG LEU 22 HG LEU 22 -8.709 7.417 6.060 634 1HD1 LEU 22 1HD1 LEU 22 -10.341 6.415 3.977 635 2HD1 LEU 22 3HD1 LEU 22 -8.706 6.523 3.307 636 3HD1 LEU 22 2HD1 LEU 22 -9.001 5.599 4.782 637 1HD2 LEU 22 2HD2 LEU 22 -8.381 9.374 3.866 638 2HD2 LEU 22 1HD2 LEU 22 -7.286 8.967 5.175 639 3HD2 LEU 22 3HD2 LEU 22 -7.354 7.947 3.740 640 H ASN 23 H ASN 23 -9.928 8.324 8.273 641 HA ASN 23 HA ASN 23 -7.308 9.602 8.971 642 1HB ASN 23 2HB ASN 23 -7.793 8.822 11.268 643 2HB ASN 23 1HB ASN 23 -9.083 9.824 10.627 644 1HD2 ASN 23 1HD2 ASN 23 -9.611 8.106 12.799 645 2HD2 ASN 23 2HD2 ASN 23 -10.618 6.841 12.285 646 H ASP 24 H ASP 24 -5.764 8.060 10.213 647 HA ASP 24 HA ASP 24 -4.662 6.240 8.456 648 1HB ASP 24 2HB ASP 24 -3.253 5.509 10.322 649 2HB ASP 24 1HB ASP 24 -3.474 7.251 10.311 650 HA PRO 25 HA PRO 25 -6.667 2.409 10.616 651 1HB PRO 25 2HB PRO 25 -9.268 2.713 11.441 652 2HB PRO 25 1HB PRO 25 -7.869 2.872 12.524 653 1HG PRO 25 2HG PRO 25 -9.444 5.003 11.148 654 2HG PRO 25 1HG PRO 25 -8.864 4.935 12.823 655 1HD PRO 25 1HD PRO 25 -7.592 6.381 10.973 656 2HD PRO 25 2HD PRO 25 -6.711 5.520 12.244 657 H GLN 26 H GLN 26 -8.612 4.788 8.782 658 HA GLN 26 HA GLN 26 -10.188 2.815 7.339 659 1HB GLN 26 2HB GLN 26 -9.505 5.719 6.745 660 2HB GLN 26 1HB GLN 26 -10.772 4.797 5.940 661 1HG GLN 26 2HG GLN 26 -10.669 5.275 8.927 662 2HG GLN 26 1HG GLN 26 -11.583 6.278 7.815 663 1HE2 GLN 26 1HE2 GLN 26 -13.222 5.285 9.585 664 2HE2 GLN 26 2HE2 GLN 26 -14.051 3.898 9.062 665 H LYS 27 H LYS 27 -7.423 4.906 6.290 666 HA LYS 27 HA LYS 27 -7.012 3.757 3.745 667 1HB LYS 27 2HB LYS 27 -4.553 4.437 4.153 668 2HB LYS 27 1HB LYS 27 -5.784 5.696 4.145 669 1HG LYS 27 2HG LYS 27 -5.776 5.308 6.757 670 2HG LYS 27 1HG LYS 27 -4.210 4.576 6.447 671 1HD LYS 27 2HD LYS 27 -3.745 6.868 6.892 672 2HD LYS 27 1HD LYS 27 -3.635 6.712 5.143 673 1HE LYS 27 2HE LYS 27 -5.452 8.052 4.774 674 2HE LYS 27 1HE LYS 27 -6.356 7.366 6.140 675 1HZ LYS 27 3HZ LYS 27 -4.793 8.563 7.640 676 2HZ LYS 27 2HZ LYS 27 -4.122 9.329 6.279 677 3HZ LYS 27 1HZ LYS 27 -5.747 9.599 6.695 678 H LYS 28 H LYS 28 -5.706 2.635 6.881 679 HA LYS 28 HA LYS 28 -4.057 0.523 5.855 680 1HB LYS 28 2HB LYS 28 -5.694 0.782 8.439 681 2HB LYS 28 1HB LYS 28 -4.549 -0.525 8.162 682 1HG LYS 28 2HG LYS 28 -3.216 1.865 7.560 683 2HG LYS 28 1HG LYS 28 -4.048 2.156 9.066 684 1HD LYS 28 2HD LYS 28 -1.870 1.262 9.596 685 2HD LYS 28 1HD LYS 28 -3.055 -0.004 9.922 686 1HE LYS 28 2HE LYS 28 -2.431 -1.247 8.038 687 2HE LYS 28 1HE LYS 28 -1.721 0.158 7.219 688 1HZ LYS 28 1HZ LYS 28 -0.045 0.252 9.022 689 2HZ LYS 28 3HZ LYS 28 -0.679 -1.184 9.669 690 3HZ LYS 28 2HZ LYS 28 0.040 -1.192 8.131 691 H ALA 29 H ALA 29 -7.523 0.636 6.809 692 HA ALA 29 HA ALA 29 -8.235 -2.087 6.593 693 1HB ALA 29 3HB ALA 29 -10.478 -1.263 6.592 694 2HB ALA 29 2HB ALA 29 -9.534 -0.087 7.505 695 3HB ALA 29 1HB ALA 29 -9.994 0.256 5.839 696 H PHE 30 H PHE 30 -8.525 0.413 3.947 697 HA PHE 30 HA PHE 30 -9.317 -1.730 2.100 698 1HB PHE 30 2HB PHE 30 -8.437 0.605 0.651 699 2HB PHE 30 1HB PHE 30 -10.016 -0.136 0.707 700 HD1 PHE 30 HD1 PHE 30 -7.793 2.301 2.299 701 HD2 PHE 30 HD2 PHE 30 -11.806 0.857 1.951 702 HE1 PHE 30 HE1 PHE 30 -8.648 4.372 3.367 703 HE2 PHE 30 HE2 PHE 30 -12.650 2.896 3.029 704 HZ PHE 30 HZ PHE 30 -11.077 4.664 3.745 705 H ILE 31 H ILE 31 -6.230 0.032 2.745 706 HA ILE 31 HA ILE 31 -4.841 -0.940 0.456 707 HB ILE 31 HB ILE 31 -3.994 -0.092 3.204 708 1HG1 ILE 31 2HG1 ILE 31 -4.227 1.006 0.483 709 2HG1 ILE 31 1HG1 ILE 31 -4.120 1.858 2.025 710 1HG2 ILE 31 2HG2 ILE 31 -2.494 -2.045 2.330 711 2HG2 ILE 31 1HG2 ILE 31 -1.994 -0.916 1.062 712 3HG2 ILE 31 3HG2 ILE 31 -1.678 -0.551 2.753 713 1HD1 ILE 31 2HD1 ILE 31 -1.708 0.580 0.772 714 2HD1 ILE 31 1HD1 ILE 31 -2.245 2.179 0.301 715 3HD1 ILE 31 3HD1 ILE 31 -1.785 1.874 1.979 716 H PHE 32 H PHE 32 -5.153 -2.404 3.708 717 HA PHE 32 HA PHE 32 -3.599 -4.741 3.182 718 1HB PHE 32 2HB PHE 32 -5.688 -3.894 5.172 719 2HB PHE 32 1HB PHE 32 -5.158 -5.573 5.164 720 HD1 PHE 32 HD1 PHE 32 -3.441 -6.077 6.732 721 HD2 PHE 32 HD2 PHE 32 -3.389 -2.130 4.788 722 HE1 PHE 32 HE1 PHE 32 -1.379 -5.458 7.883 723 HE2 PHE 32 HE2 PHE 32 -1.360 -1.624 6.012 724 HZ PHE 32 HZ PHE 32 -0.342 -3.296 7.496 725 H SER 33 H SER 33 -7.107 -4.102 2.662 726 HA SER 33 HA SER 33 -7.661 -6.815 1.681 727 1HB SER 33 2HB SER 33 -9.853 -5.881 1.157 728 2HB SER 33 1HB SER 33 -9.348 -5.262 2.719 729 HG SER 33 HG SER 33 -10.198 -3.662 1.263 730 H LEU 34 H LEU 34 -6.693 -3.715 0.243 731 HA LEU 34 HA LEU 34 -7.051 -4.293 -2.559 732 1HB LEU 34 2HB LEU 34 -6.685 -2.039 -1.767 733 2HB LEU 34 1HB LEU 34 -5.214 -2.482 -0.938 734 HG LEU 34 HG LEU 34 -4.375 -3.069 -3.322 735 1HD1 LEU 34 1HD1 LEU 34 -6.622 -2.834 -4.386 736 2HD1 LEU 34 3HD1 LEU 34 -6.584 -1.109 -4.007 737 3HD1 LEU 34 2HD1 LEU 34 -5.402 -1.799 -5.125 738 1HD2 LEU 34 1HD2 LEU 34 -3.776 -1.057 -1.775 739 2HD2 LEU 34 3HD2 LEU 34 -3.403 -0.915 -3.495 740 3HD2 LEU 34 2HD2 LEU 34 -4.838 -0.130 -2.837 741 H TRP 35 H TRP 35 -4.396 -4.844 -0.262 742 HA TRP 35 HA TRP 35 -2.467 -5.898 -2.107 743 1HB TRP 35 2HB TRP 35 -2.026 -5.076 0.197 744 2HB TRP 35 1HB TRP 35 -2.876 -6.487 0.845 745 HD1 TRP 35 HD1 TRP 35 -1.533 -8.631 1.066 746 HE1 TRP 35 HE1 TRP 35 0.734 -9.454 0.201 747 HE3 TRP 35 HE3 TRP 35 -0.309 -4.761 -1.977 748 HZ2 TRP 35 HZ2 TRP 35 2.808 -8.579 -1.536 749 HZ3 TRP 35 HZ3 TRP 35 1.812 -4.791 -3.248 750 HH2 TRP 35 HH2 TRP 35 3.362 -6.669 -3.018 751 H ASP 36 H ASP 36 -4.823 -7.529 0.070 752 HA ASP 36 HA ASP 36 -4.144 -10.218 -0.695 753 1HB ASP 36 2HB ASP 36 -5.341 -9.253 1.404 754 2HB ASP 36 1HB ASP 36 -6.801 -9.296 0.415 755 H ASP 37 H ASP 37 -6.759 -7.979 -1.722 756 HA ASP 37 HA ASP 37 -7.156 -9.730 -4.085 757 1HB ASP 37 2HB ASP 37 -9.433 -8.358 -2.627 758 2HB ASP 37 1HB ASP 37 -9.537 -9.635 -3.828 759 HA PRO 38 HA PRO 38 -6.531 -5.339 -5.430 760 1HB PRO 38 2HB PRO 38 -5.026 -5.944 -7.617 761 2HB PRO 38 1HB PRO 38 -4.349 -5.682 -6.001 762 1HG PRO 38 2HG PRO 38 -4.964 -8.254 -7.389 763 2HG PRO 38 1HG PRO 38 -3.549 -7.817 -6.417 764 1HD PRO 38 1HD PRO 38 -5.561 -9.318 -5.427 765 2HD PRO 38 2HD PRO 38 -4.642 -8.173 -4.419 766 H SER 39 H SER 39 -8.157 -8.114 -6.601 767 HA SER 39 HA SER 39 -8.962 -7.344 -9.252 768 1HB SER 39 2HB SER 39 -9.380 -9.457 -7.582 769 2HB SER 39 1HB SER 39 -10.919 -8.632 -7.403 770 HG SER 39 HG SER 39 -11.377 -8.995 -9.466 771 H GLN 40 H GLN 40 -10.075 -6.500 -5.990 772 HA GLN 40 HA GLN 40 -12.225 -4.684 -6.958 773 1HB GLN 40 2HB GLN 40 -11.227 -4.970 -4.114 774 2HB GLN 40 1HB GLN 40 -12.845 -4.557 -4.659 775 1HG GLN 40 2HG GLN 40 -11.503 -7.270 -4.744 776 2HG GLN 40 1HG GLN 40 -12.892 -6.796 -3.776 777 1HE2 GLN 40 1HE2 GLN 40 -12.448 -8.846 -6.105 778 2HE2 GLN 40 2HE2 GLN 40 -13.756 -8.537 -7.142 779 H SER 41 H SER 41 -9.008 -4.283 -7.110 780 HA SER 41 HA SER 41 -8.128 -2.166 -5.515 781 1HB SER 41 2HB SER 41 -6.728 -3.407 -6.976 782 2HB SER 41 1HB SER 41 -7.634 -2.886 -8.386 783 HG SER 41 HG SER 41 -6.494 -1.122 -8.415 784 H ALA 42 H ALA 42 -9.936 -1.928 -8.621 785 HA ALA 42 HA ALA 42 -9.969 0.947 -8.849 786 1HB ALA 42 1HB ALA 42 -12.092 -1.077 -9.669 787 2HB ALA 42 3HB ALA 42 -11.790 0.495 -10.419 788 3HB ALA 42 2HB ALA 42 -10.605 -0.801 -10.585 789 H ASN 43 H ASN 43 -12.275 -1.383 -7.451 790 HA ASN 43 HA ASN 43 -14.155 0.491 -6.393 791 1HB ASN 43 2HB ASN 43 -13.428 -2.395 -5.956 792 2HB ASN 43 1HB ASN 43 -14.694 -1.642 -4.985 793 1HD2 ASN 43 1HD2 ASN 43 -14.052 -3.178 -7.994 794 2HD2 ASN 43 2HD2 ASN 43 -15.516 -2.788 -8.762 795 H LEU 44 H LEU 44 -11.094 -0.835 -5.133 796 HA LEU 44 HA LEU 44 -11.475 -0.112 -2.352 797 1HB LEU 44 2HB LEU 44 -9.338 -1.034 -4.192 798 2HB LEU 44 1HB LEU 44 -8.796 -0.235 -2.718 799 HG LEU 44 HG LEU 44 -10.982 -2.199 -2.381 800 1HD1 LEU 44 3HD1 LEU 44 -8.465 -2.883 -3.718 801 2HD1 LEU 44 2HD1 LEU 44 -8.727 -3.804 -2.231 802 3HD1 LEU 44 1HD1 LEU 44 -9.932 -3.847 -3.516 803 1HD2 LEU 44 2HD2 LEU 44 -8.819 -0.896 -0.906 804 2HD2 LEU 44 1HD2 LEU 44 -10.296 -1.668 -0.306 805 3HD2 LEU 44 3HD2 LEU 44 -8.864 -2.647 -0.624 806 H LEU 45 H LEU 45 -9.718 1.391 -4.987 807 HA LEU 45 HA LEU 45 -8.799 3.761 -3.738 808 1HB LEU 45 2HB LEU 45 -8.020 3.038 -5.920 809 2HB LEU 45 1HB LEU 45 -9.653 3.060 -6.569 810 HG LEU 45 HG LEU 45 -9.715 5.407 -6.677 811 1HD1 LEU 45 2HD1 LEU 45 -7.592 5.259 -4.560 812 2HD1 LEU 45 1HD1 LEU 45 -7.679 6.692 -5.594 813 3HD1 LEU 45 3HD1 LEU 45 -9.068 6.233 -4.610 814 1HD2 LEU 45 2HD2 LEU 45 -8.147 4.423 -8.312 815 2HD2 LEU 45 1HD2 LEU 45 -7.633 6.044 -7.838 816 3HD2 LEU 45 3HD2 LEU 45 -6.822 4.630 -7.163 817 H ALA 46 H ALA 46 -11.852 3.026 -5.436 818 HA ALA 46 HA ALA 46 -13.105 5.601 -5.079 819 1HB ALA 46 1HB ALA 46 -13.872 3.980 -6.720 820 2HB ALA 46 3HB ALA 46 -14.103 2.764 -5.465 821 3HB ALA 46 2HB ALA 46 -15.164 4.171 -5.534 822 H GLU 47 H GLU 47 -13.154 2.536 -3.224 823 HA GLU 47 HA GLU 47 -14.986 3.189 -1.164 824 1HB GLU 47 2HB GLU 47 -13.894 0.955 -1.739 825 2HB GLU 47 1HB GLU 47 -12.440 1.541 -0.933 826 1HG GLU 47 2HG GLU 47 -13.788 1.889 1.147 827 2HG GLU 47 1HG GLU 47 -15.174 1.175 0.332 828 H ALA 48 H ALA 48 -11.536 3.883 -1.544 829 HA ALA 48 HA ALA 48 -10.962 4.964 1.053 830 1HB ALA 48 2HB ALA 48 -8.926 4.882 0.037 831 2HB ALA 48 3HB ALA 48 -9.390 6.235 -0.990 832 3HB ALA 48 1HB ALA 48 -9.700 4.570 -1.528 833 H LYS 49 H LYS 49 -11.886 6.507 -2.046 834 HA LYS 49 HA LYS 49 -12.045 9.218 -1.091 835 1HB LYS 49 2HB LYS 49 -13.433 7.761 -3.374 836 2HB LYS 49 1HB LYS 49 -13.373 9.514 -3.201 837 1HG LYS 49 2HG LYS 49 -10.905 9.445 -3.305 838 2HG LYS 49 1HG LYS 49 -10.959 7.692 -3.478 839 1HD LYS 49 2HD LYS 49 -12.412 8.063 -5.539 840 2HD LYS 49 1HD LYS 49 -11.991 9.772 -5.418 841 1HE LYS 49 2HE LYS 49 -9.527 8.998 -5.395 842 2HE LYS 49 1HE LYS 49 -10.145 7.427 -5.941 843 1HZ LYS 49 2HZ LYS 49 -11.292 8.544 -7.759 844 2HZ LYS 49 1HZ LYS 49 -10.681 10.048 -7.250 845 3HZ LYS 49 3HZ LYS 49 -9.624 8.855 -7.829 846 H LYS 50 H LYS 50 -14.544 6.687 -1.532 847 HA LYS 50 HA LYS 50 -16.803 8.187 -0.568 848 1HB LYS 50 2HB LYS 50 -16.126 5.239 -0.776 849 2HB LYS 50 1HB LYS 50 -17.717 5.811 -0.271 850 1HG LYS 50 2HG LYS 50 -18.209 6.721 -2.361 851 2HG LYS 50 1HG LYS 50 -16.510 6.911 -2.795 852 1HD LYS 50 2HD LYS 50 -17.416 5.086 -4.107 853 2HD LYS 50 1HD LYS 50 -16.330 4.400 -2.903 854 1HE LYS 50 2HE LYS 50 -19.018 4.601 -1.811 855 2HE LYS 50 1HE LYS 50 -19.026 3.684 -3.329 856 1HZ LYS 50 1HZ LYS 50 -17.139 2.384 -2.501 857 2HZ LYS 50 3HZ LYS 50 -17.190 3.226 -1.029 858 3HZ LYS 50 2HZ LYS 50 -18.487 2.229 -1.480 859 H LEU 51 H LEU 51 -14.440 6.078 1.109 860 HA LEU 51 HA LEU 51 -15.717 6.071 3.694 861 1HB LEU 51 2HB LEU 51 -13.765 4.644 2.672 862 2HB LEU 51 1HB LEU 51 -12.719 5.938 3.189 863 HG LEU 51 HG LEU 51 -12.596 4.636 5.085 864 1HD1 LEU 51 3HD1 LEU 51 -15.270 5.996 5.539 865 2HD1 LEU 51 2HD1 LEU 51 -14.352 5.176 6.797 866 3HD1 LEU 51 1HD1 LEU 51 -13.678 6.595 6.003 867 1HD2 LEU 51 3HD2 LEU 51 -15.247 3.547 4.163 868 2HD2 LEU 51 2HD2 LEU 51 -13.709 2.701 4.353 869 3HD2 LEU 51 1HD2 LEU 51 -14.638 3.177 5.776 870 H ASN 52 H ASN 52 -13.214 8.167 2.212 871 HA ASN 52 HA ASN 52 -12.844 9.930 4.453 872 1HB ASN 52 2HB ASN 52 -11.336 10.847 3.007 873 2HB ASN 52 1HB ASN 52 -11.724 9.490 1.986 874 1HD2 ASN 52 1HD2 ASN 52 -11.289 10.638 -0.001 875 2HD2 ASN 52 2HD2 ASN 52 -12.301 11.883 -0.556 876 H ASP 53 H ASP 53 -15.163 9.854 1.757 877 HA ASP 53 HA ASP 53 -16.350 12.410 2.165 878 1HB ASP 53 2HB ASP 53 -16.482 10.641 0.227 879 2HB ASP 53 1HB ASP 53 -17.842 10.002 1.138 880 H ALA 54 H ALA 54 -16.984 9.203 3.611 881 HA ALA 54 HA ALA 54 -19.503 9.824 4.880 882 1HB ALA 54 1HB ALA 54 -18.270 7.589 4.366 883 2HB ALA 54 3HB ALA 54 -17.434 7.872 5.894 884 3HB ALA 54 2HB ALA 54 -19.190 7.697 5.868 885 H GLN 55 H GLN 55 -16.115 10.077 5.982 886 HA GLN 55 HA GLN 55 -16.845 10.999 8.682 887 1HB GLN 55 2HB GLN 55 -14.294 10.645 7.090 888 2HB GLN 55 1HB GLN 55 -14.288 11.219 8.747 889 1HG GLN 55 2HG GLN 55 -15.207 9.192 9.582 890 2HG GLN 55 1HG GLN 55 -15.693 8.662 7.974 891 1HE2 GLN 55 1HE2 GLN 55 -13.325 9.108 6.501 892 2HE2 GLN 55 2HE2 GLN 55 -12.100 8.104 7.122 893 H ALA 56 H ALA 56 -15.680 12.423 5.635 894 HA ALA 56 HA ALA 56 -16.318 15.162 6.655 895 1HB ALA 56 1HB ALA 56 -13.995 15.038 7.010 896 2HB ALA 56 2HB ALA 56 -14.080 15.717 5.383 897 3HB ALA 56 3HB ALA 56 -13.748 13.996 5.606 898 HA PRO 57 HA PRO 57 -18.214 15.315 2.611 899 1HB PRO 57 2HB PRO 57 -18.378 18.031 2.277 900 2HB PRO 57 1HB PRO 57 -19.465 17.113 3.342 901 1HG PRO 57 2HG PRO 57 -17.023 18.681 4.030 902 2HG PRO 57 1HG PRO 57 -18.591 18.623 4.853 903 1HD PRO 57 1HD PRO 57 -16.454 17.261 5.762 904 2HD PRO 57 2HD PRO 57 -18.109 16.627 5.919 905 H LYS 58 H LYS 58 -17.470 15.432 0.481 906 HA LYS 58 HA LYS 58 -14.628 15.869 0.003 907 1HB LYS 58 2HB LYS 58 -17.043 15.208 -1.695 908 2HB LYS 58 1HB LYS 58 -15.465 15.481 -2.429 909 1HG LYS 58 2HG LYS 58 -14.503 13.703 -0.979 910 2HG LYS 58 1HG LYS 58 -16.110 13.401 -0.317 911 1HD LYS 58 2HD LYS 58 -16.946 12.841 -2.567 912 2HD LYS 58 1HD LYS 58 -15.351 13.163 -3.246 913 1HE LYS 58 2HE LYS 58 -14.537 11.138 -2.577 914 2HE LYS 58 1HE LYS 58 -15.315 11.254 -0.993 915 1HZ LYS 58 1HZ LYS 58 -16.707 10.640 -3.552 916 2HZ LYS 58 3HZ LYS 58 -16.321 9.507 -2.350 917 3HZ LYS 58 2HZ LYS 58 -17.441 10.740 -2.021 No H/Q in entry = 917 Start of MODEL 17 1 H1 VAL 1 3H VAL 1 1.403 -15.297 14.459 2 H2 VAL 1 2H VAL 1 -0.035 -14.528 14.934 3 H3 VAL 1 1H VAL 1 0.244 -16.148 15.354 4 HA VAL 1 HA VAL 1 -1.310 -16.123 13.546 5 HB VAL 1 HB VAL 1 -0.553 -13.780 12.906 6 1HG1 VAL 1 3HG1 VAL 1 1.887 -14.322 12.714 7 2HG1 VAL 1 2HG1 VAL 1 1.528 -15.257 11.262 8 3HG1 VAL 1 1HG1 VAL 1 1.241 -13.517 11.284 9 1HG2 VAL 1 1HG2 VAL 1 -2.104 -15.246 11.532 10 2HG2 VAL 1 3HG2 VAL 1 -1.255 -13.999 10.618 11 3HG2 VAL 1 2HG2 VAL 1 -0.705 -15.673 10.548 12 H ASP 2 H ASP 2 -1.263 -17.849 12.032 13 HA ASP 2 HA ASP 2 0.817 -19.812 12.265 14 1HB ASP 2 2HB ASP 2 -1.593 -20.177 11.650 15 2HB ASP 2 1HB ASP 2 -1.262 -19.460 10.075 16 H ASN 3 H ASN 3 0.098 -17.470 9.630 17 HA ASN 3 HA ASN 3 2.848 -17.975 8.531 18 1HB ASN 3 2HB ASN 3 0.920 -18.785 7.142 19 2HB ASN 3 1HB ASN 3 0.322 -17.128 7.068 20 1HD2 ASN 3 1HD2 ASN 3 3.284 -19.055 6.287 21 2HD2 ASN 3 2HD2 ASN 3 3.740 -18.081 4.973 22 H LYS 4 H LYS 4 4.027 -16.255 9.303 23 HA LYS 4 HA LYS 4 3.027 -13.641 9.928 24 1HB LYS 4 2HB LYS 4 5.455 -13.033 9.968 25 2HB LYS 4 1HB LYS 4 5.118 -14.518 10.850 26 1HG LYS 4 2HG LYS 4 5.827 -15.806 8.792 27 2HG LYS 4 1HG LYS 4 6.303 -14.272 8.065 28 1HD LYS 4 2HD LYS 4 7.884 -13.868 9.897 29 2HD LYS 4 1HD LYS 4 7.394 -15.376 10.671 30 1HE LYS 4 2HE LYS 4 8.083 -15.950 7.936 31 2HE LYS 4 1HE LYS 4 9.404 -15.024 8.673 32 1HZ LYS 4 3HZ LYS 4 8.091 -17.413 9.878 33 2HZ LYS 4 2HZ LYS 4 9.621 -17.399 9.139 34 3HZ LYS 4 1HZ LYS 4 9.362 -16.524 10.570 35 H PHE 5 H PHE 5 4.570 -14.862 6.933 36 HA PHE 5 HA PHE 5 4.845 -12.413 5.561 37 1HB PHE 5 2HB PHE 5 4.314 -15.215 4.546 38 2HB PHE 5 1HB PHE 5 4.847 -13.883 3.527 39 HD1 PHE 5 HD1 PHE 5 6.330 -16.527 3.999 40 HD2 PHE 5 HD2 PHE 5 6.644 -12.689 5.925 41 HE1 PHE 5 HE1 PHE 5 8.680 -17.015 4.612 42 HE2 PHE 5 HE2 PHE 5 8.991 -13.186 6.523 43 HZ PHE 5 HZ PHE 5 10.008 -15.348 5.877 44 H ASN 6 H ASN 6 1.910 -14.351 6.043 45 HA ASN 6 HA ASN 6 0.261 -13.413 3.950 46 1HB ASN 6 2HB ASN 6 -0.271 -15.162 5.671 47 2HB ASN 6 1HB ASN 6 -0.492 -13.879 6.860 48 1HD2 ASN 6 1HD2 ASN 6 -1.777 -15.034 3.692 49 2HD2 ASN 6 2HD2 ASN 6 -3.323 -14.372 3.916 50 H LYS 7 H LYS 7 0.532 -11.920 7.256 51 HA LYS 7 HA LYS 7 -0.661 -9.437 6.145 52 1HB LYS 7 2HB LYS 7 -1.528 -10.371 8.250 53 2HB LYS 7 1HB LYS 7 0.069 -10.143 8.998 54 1HG LYS 7 2HG LYS 7 -0.905 -7.740 7.663 55 2HG LYS 7 1HG LYS 7 -2.045 -8.297 8.881 56 1HD LYS 7 2HD LYS 7 0.908 -7.812 9.361 57 2HD LYS 7 1HD LYS 7 -0.386 -6.692 9.781 58 1HE LYS 7 2HE LYS 7 -0.690 -7.781 11.746 59 2HE LYS 7 1HE LYS 7 -1.054 -9.276 10.866 60 1HZ LYS 7 1HZ LYS 7 1.330 -9.671 10.619 61 2HZ LYS 7 3HZ LYS 7 1.677 -8.249 11.480 62 3HZ LYS 7 2HZ LYS 7 0.913 -9.550 12.261 63 H GLU 8 H GLU 8 2.555 -10.650 6.705 64 HA GLU 8 HA GLU 8 3.776 -8.115 7.436 65 1HB GLU 8 2HB GLU 8 4.770 -10.714 6.260 66 2HB GLU 8 1HB GLU 8 5.835 -9.316 6.374 67 1HG GLU 8 2HG GLU 8 4.340 -10.571 8.698 68 2HG GLU 8 1HG GLU 8 6.065 -10.777 8.347 69 H GLN 9 H GLN 9 3.043 -9.807 4.398 70 HA GLN 9 HA GLN 9 4.155 -7.866 2.603 71 1HB GLN 9 2HB GLN 9 1.833 -9.809 2.374 72 2HB GLN 9 1HB GLN 9 2.496 -8.908 1.017 73 1HG GLN 9 2HG GLN 9 4.644 -10.015 1.273 74 2HG GLN 9 1HG GLN 9 4.061 -10.877 2.701 75 1HE2 GLN 9 1HE2 GLN 9 2.416 -12.577 2.364 76 2HE2 GLN 9 2HE2 GLN 9 2.130 -13.214 0.820 77 H GLN 10 H GLN 10 1.018 -8.301 4.214 78 HA GLN 10 HA GLN 10 -0.459 -6.108 3.068 79 1HB GLN 10 2HB GLN 10 -0.799 -8.210 4.893 80 2HB GLN 10 1HB GLN 10 -1.066 -6.766 5.838 81 1HG GLN 10 2HG GLN 10 -3.155 -6.749 4.996 82 2HG GLN 10 1HG GLN 10 -2.436 -6.247 3.487 83 1HE2 GLN 10 1HE2 GLN 10 -2.393 -9.491 5.128 84 2HE2 GLN 10 2HE2 GLN 10 -3.112 -10.309 3.828 85 H ASN 11 H ASN 11 1.487 -6.352 6.065 86 HA ASN 11 HA ASN 11 1.130 -3.574 6.839 87 1HB ASN 11 2HB ASN 11 1.770 -5.649 8.255 88 2HB ASN 11 1HB ASN 11 3.404 -5.424 7.626 89 1HD2 ASN 11 1HD2 ASN 11 4.680 -3.736 8.550 90 2HD2 ASN 11 2HD2 ASN 11 4.104 -2.677 9.745 91 H ALA 12 H ALA 12 3.764 -5.381 5.204 92 HA ALA 12 HA ALA 12 5.593 -3.184 4.922 93 1HB ALA 12 3HB ALA 12 5.118 -5.815 3.512 94 2HB ALA 12 1HB ALA 12 6.452 -5.364 4.581 95 3HB ALA 12 2HB ALA 12 6.365 -4.693 2.948 96 H PHE 13 H PHE 13 3.052 -4.507 2.792 97 HA PHE 13 HA PHE 13 3.318 -2.756 0.547 98 1HB PHE 13 2HB PHE 13 1.879 -4.724 0.501 99 2HB PHE 13 1HB PHE 13 0.969 -4.159 1.892 100 HD1 PHE 13 HD1 PHE 13 2.040 -2.637 -1.344 101 HD2 PHE 13 HD2 PHE 13 -1.169 -3.480 1.345 102 HE1 PHE 13 HE1 PHE 13 0.461 -1.593 -2.908 103 HE2 PHE 13 HE2 PHE 13 -2.754 -2.427 -0.205 104 HZ PHE 13 HZ PHE 13 -1.941 -1.477 -2.332 105 H TYR 14 H TYR 14 1.215 -2.591 3.396 106 HA TYR 14 HA TYR 14 -0.008 -0.081 3.067 107 1HB TYR 14 2HB TYR 14 -0.547 -1.853 4.665 108 2HB TYR 14 1HB TYR 14 0.950 -1.548 5.534 109 HD1 TYR 14 HD1 TYR 14 1.056 0.105 7.199 110 HD2 TYR 14 HD2 TYR 14 -2.227 0.070 4.441 111 HE1 TYR 14 HE1 TYR 14 -0.101 1.831 8.541 112 HE2 TYR 14 HE2 TYR 14 -3.378 1.719 5.756 113 HH TYR 14 HH TYR 14 -3.407 2.798 7.870 114 H GLU 15 H GLU 15 2.949 -0.829 5.001 115 HA GLU 15 HA GLU 15 3.616 1.870 5.650 116 1HB GLU 15 2HB GLU 15 5.261 -0.661 5.382 117 2HB GLU 15 1HB GLU 15 5.892 0.844 6.059 118 1HG GLU 15 2HG GLU 15 3.338 0.190 7.275 119 2HG GLU 15 1HG GLU 15 4.456 -1.166 7.437 120 H ILE 16 H ILE 16 4.680 -0.202 2.869 121 HA ILE 16 HA ILE 16 6.482 1.637 1.624 122 HB ILE 16 HB ILE 16 4.709 -0.641 0.797 123 1HG1 ILE 16 2HG1 ILE 16 7.479 -0.336 -0.204 124 2HG1 ILE 16 1HG1 ILE 16 7.323 -0.349 1.551 125 1HG2 ILE 16 3HG2 ILE 16 5.902 1.264 -1.230 126 2HG2 ILE 16 2HG2 ILE 16 5.422 -0.395 -1.610 127 3HG2 ILE 16 1HG2 ILE 16 4.214 0.773 -1.076 128 1HD1 ILE 16 1HD1 ILE 16 5.758 -2.399 0.084 129 2HD1 ILE 16 3HD1 ILE 16 7.525 -2.602 0.085 130 3HD1 ILE 16 2HD1 ILE 16 6.643 -2.517 1.612 131 H LEU 17 H LEU 17 2.949 1.334 1.333 132 HA LEU 17 HA LEU 17 2.501 3.592 -0.420 133 1HB LEU 17 2HB LEU 17 0.744 2.133 1.552 134 2HB LEU 17 1HB LEU 17 0.146 3.296 0.373 135 HG LEU 17 HG LEU 17 1.900 1.169 -0.704 136 1HD1 LEU 17 2HD1 LEU 17 0.027 0.313 1.056 137 2HD1 LEU 17 1HD1 LEU 17 -0.927 0.431 -0.441 138 3HD1 LEU 17 3HD1 LEU 17 0.518 -0.567 -0.384 139 1HD2 LEU 17 2HD2 LEU 17 0.495 3.009 -1.954 140 2HD2 LEU 17 1HD2 LEU 17 0.551 1.335 -2.566 141 3HD2 LEU 17 3HD2 LEU 17 -0.845 1.866 -1.610 142 H HIS 18 H HIS 18 2.442 3.315 3.153 143 HA HIS 18 HA HIS 18 1.572 6.073 3.530 144 1HB HIS 18 2HB HIS 18 2.594 3.863 5.329 145 2HB HIS 18 1HB HIS 18 2.271 5.475 5.954 146 HD1 HIS 18 HD1 HIS 18 -0.251 6.324 5.894 147 HD2 HIS 18 HD2 HIS 18 0.253 2.327 4.836 148 HE1 HIS 18 HE1 HIS 18 -2.550 5.172 5.850 149 H LEU 19 H LEU 19 4.744 4.591 3.035 150 HA LEU 19 HA LEU 19 6.436 6.316 4.535 151 1HB LEU 19 2HB LEU 19 6.733 4.716 1.996 152 2HB LEU 19 1HB LEU 19 8.057 5.743 2.533 153 HG LEU 19 HG LEU 19 6.758 3.575 4.215 154 1HD1 LEU 19 1HD1 LEU 19 9.215 3.626 2.479 155 2HD1 LEU 19 3HD1 LEU 19 9.165 2.588 3.908 156 3HD1 LEU 19 2HD1 LEU 19 7.980 2.376 2.618 157 1HD2 LEU 19 2HD2 LEU 19 8.220 5.795 5.051 158 2HD2 LEU 19 1HD2 LEU 19 7.961 4.315 5.971 159 3HD2 LEU 19 3HD2 LEU 19 9.416 4.501 4.992 160 HA PRO 20 HA PRO 20 5.452 10.170 2.472 161 1HB PRO 20 2HB PRO 20 7.230 11.719 3.865 162 2HB PRO 20 1HB PRO 20 5.662 11.191 4.510 163 1HG PRO 20 2HG PRO 20 8.377 10.029 4.957 164 2HG PRO 20 1HG PRO 20 7.081 10.341 6.125 165 1HD PRO 20 1HD PRO 20 7.540 7.884 5.153 166 2HD PRO 20 2HD PRO 20 5.896 8.455 5.519 167 H ASN 21 H ASN 21 8.716 8.712 2.433 168 HA ASN 21 HA ASN 21 9.506 10.726 0.362 169 1HB ASN 21 2HB ASN 21 11.087 8.876 2.155 170 2HB ASN 21 1HB ASN 21 11.822 9.869 0.898 171 1HD2 ASN 21 1HD2 ASN 21 10.774 9.895 4.177 172 2HD2 ASN 21 2HD2 ASN 21 10.865 11.570 4.424 173 H LEU 22 H LEU 22 8.087 7.712 0.356 174 HA LEU 22 HA LEU 22 9.720 6.532 -1.811 175 1HB LEU 22 2HB LEU 22 7.159 5.760 -0.379 176 2HB LEU 22 1HB LEU 22 7.705 4.886 -1.800 177 HG LEU 22 HG LEU 22 8.939 5.014 0.944 178 1HD1 LEU 22 3HD1 LEU 22 8.143 2.907 -1.056 179 2HD1 LEU 22 2HD1 LEU 22 9.310 2.523 0.216 180 3HD1 LEU 22 1HD1 LEU 22 7.679 3.055 0.640 181 1HD2 LEU 22 1HD2 LEU 22 10.384 4.469 -1.663 182 2HD2 LEU 22 3HD2 LEU 22 10.813 5.644 -0.402 183 3HD2 LEU 22 2HD2 LEU 22 10.977 3.909 -0.093 184 H ASN 23 H ASN 23 8.873 6.270 -3.969 185 HA ASN 23 HA ASN 23 6.662 8.174 -4.679 186 1HB ASN 23 2HB ASN 23 8.049 8.581 -6.795 187 2HB ASN 23 1HB ASN 23 8.690 9.249 -5.310 188 1HD2 ASN 23 1HD2 ASN 23 10.822 8.620 -4.735 189 2HD2 ASN 23 2HD2 ASN 23 11.685 7.388 -5.518 190 H GLU 24 H GLU 24 6.329 7.662 -7.291 191 HA GLU 24 HA GLU 24 4.811 5.263 -7.414 192 1HB GLU 24 2HB GLU 24 4.902 7.458 -8.876 193 2HB GLU 24 1HB GLU 24 6.044 6.536 -9.851 194 1HG GLU 24 2HG GLU 24 4.089 5.898 -10.899 195 2HG GLU 24 1HG GLU 24 4.134 4.667 -9.639 196 H GLU 25 H GLU 25 8.189 5.896 -8.404 197 HA GLU 25 HA GLU 25 8.610 3.303 -9.665 198 1HB GLU 25 2HB GLU 25 9.885 5.395 -10.133 199 2HB GLU 25 1HB GLU 25 10.570 5.318 -8.514 200 1HG GLU 25 2HG GLU 25 11.455 3.010 -9.112 201 2HG GLU 25 1HG GLU 25 10.973 3.344 -10.775 202 H GLN 26 H GLN 26 9.636 4.635 -6.472 203 HA GLN 26 HA GLN 26 10.845 2.160 -5.529 204 1HB GLN 26 2HB GLN 26 9.806 4.554 -3.981 205 2HB GLN 26 1HB GLN 26 10.971 3.369 -3.401 206 1HG GLN 26 2HG GLN 26 11.423 5.159 -5.813 207 2HG GLN 26 1HG GLN 26 12.025 5.503 -4.201 208 1HE2 GLN 26 1HE2 GLN 26 12.468 3.431 -7.035 209 2HE2 GLN 26 2HE2 GLN 26 13.914 2.720 -6.502 210 H ARG 27 H ARG 27 7.766 3.755 -4.658 211 HA ARG 27 HA ARG 27 6.809 1.766 -2.854 212 1HB ARG 27 2HB ARG 27 5.985 4.054 -3.045 213 2HB ARG 27 1HB ARG 27 5.411 3.752 -4.680 214 1HG ARG 27 2HG ARG 27 3.563 2.605 -3.982 215 2HG ARG 27 1HG ARG 27 4.364 1.969 -2.551 216 1HD ARG 27 2HD ARG 27 2.496 3.854 -2.329 217 2HD ARG 27 1HD ARG 27 3.922 3.875 -1.292 218 HE ARG 27 HE ARG 27 3.916 5.397 -3.858 219 1HH1 ARG 27 1HH1 ARG 27 4.041 7.672 -3.531 220 2HH1 ARG 27 2HH1 ARG 27 4.700 8.266 -2.047 221 1HH2 ARG 27 1HH2 ARG 27 4.950 5.152 -0.543 222 2HH2 ARG 27 2HH2 ARG 27 5.206 6.851 -0.372 223 H ASN 28 H ASN 28 6.004 2.182 -6.392 224 HA ASN 28 HA ASN 28 4.218 -0.078 -6.546 225 1HB ASN 28 2HB ASN 28 4.288 1.782 -8.154 226 2HB ASN 28 1HB ASN 28 5.892 1.299 -8.640 227 1HD2 ASN 28 1HD2 ASN 28 5.373 0.735 -10.829 228 2HD2 ASN 28 2HD2 ASN 28 4.347 -0.560 -11.220 229 H ALA 29 H ALA 29 7.706 0.267 -7.304 230 HA ALA 29 HA ALA 29 8.221 -2.372 -8.272 231 1HB ALA 29 1HB ALA 29 9.701 -0.292 -8.149 232 2HB ALA 29 2HB ALA 29 10.489 -1.826 -7.768 233 3HB ALA 29 3HB ALA 29 10.002 -0.737 -6.465 234 H PHE 30 H PHE 30 8.062 -1.034 -4.988 235 HA PHE 30 HA PHE 30 8.860 -3.379 -3.543 236 1HB PHE 30 2HB PHE 30 7.306 -0.862 -2.993 237 2HB PHE 30 1HB PHE 30 7.411 -2.116 -1.761 238 HD1 PHE 30 HD1 PHE 30 8.609 0.703 -1.586 239 HD2 PHE 30 HD2 PHE 30 10.266 -3.046 -2.851 240 HE1 PHE 30 HE1 PHE 30 10.858 1.441 -0.894 241 HE2 PHE 30 HE2 PHE 30 12.484 -2.308 -2.172 242 HZ PHE 30 HZ PHE 30 12.791 -0.113 -1.183 243 H ILE 31 H ILE 31 5.717 -2.112 -4.507 244 HA ILE 31 HA ILE 31 4.178 -4.266 -3.358 245 HB ILE 31 HB ILE 31 3.664 -2.245 -5.570 246 1HG1 ILE 31 2HG1 ILE 31 2.706 -2.269 -2.728 247 2HG1 ILE 31 1HG1 ILE 31 4.234 -1.535 -3.155 248 1HG2 ILE 31 2HG2 ILE 31 2.158 -4.532 -4.821 249 2HG2 ILE 31 1HG2 ILE 31 1.335 -3.100 -4.207 250 3HG2 ILE 31 3HG2 ILE 31 1.705 -3.234 -5.918 251 1HD1 ILE 31 3HD1 ILE 31 1.606 -0.819 -4.457 252 2HD1 ILE 31 2HD1 ILE 31 2.297 0.046 -3.062 253 3HD1 ILE 31 1HD1 ILE 31 3.163 0.030 -4.602 254 H GLN 32 H GLN 32 5.972 -3.876 -6.432 255 HA GLN 32 HA GLN 32 4.802 -6.241 -7.714 256 1HB GLN 32 2HB GLN 32 7.278 -4.538 -8.177 257 2HB GLN 32 1HB GLN 32 6.829 -5.880 -9.232 258 1HG GLN 32 2HG GLN 32 4.677 -4.828 -9.715 259 2HG GLN 32 1HG GLN 32 5.027 -3.518 -8.597 260 1HE2 GLN 32 1HE2 GLN 32 5.645 -4.747 -11.834 261 2HE2 GLN 32 2HE2 GLN 32 6.584 -3.432 -12.353 262 H SER 33 H SER 33 7.850 -5.565 -5.911 263 HA SER 33 HA SER 33 8.867 -8.288 -5.940 264 1HB SER 33 2HB SER 33 10.353 -7.337 -4.142 265 2HB SER 33 1HB SER 33 10.354 -6.432 -5.650 266 HG SER 33 HG SER 33 9.964 -4.871 -4.253 267 H LEU 34 H LEU 34 6.732 -6.476 -3.821 268 HA LEU 34 HA LEU 34 6.677 -8.401 -1.626 269 1HB LEU 34 2HB LEU 34 6.363 -5.894 -1.547 270 2HB LEU 34 1HB LEU 34 4.828 -6.106 -2.375 271 HG LEU 34 HG LEU 34 4.243 -7.700 -0.409 272 1HD1 LEU 34 2HD1 LEU 34 6.687 -6.258 0.585 273 2HD1 LEU 34 1HD1 LEU 34 5.437 -6.822 1.692 274 3HD1 LEU 34 3HD1 LEU 34 6.301 -7.976 0.680 275 1HD2 LEU 34 2HD2 LEU 34 3.833 -5.003 -0.886 276 2HD2 LEU 34 1HD2 LEU 34 3.036 -5.958 0.359 277 3HD2 LEU 34 3HD2 LEU 34 4.472 -5.021 0.757 278 H LYS 35 H LYS 35 4.425 -7.520 -4.315 279 HA LYS 35 HA LYS 35 2.398 -9.474 -3.654 280 1HB LYS 35 2HB LYS 35 3.042 -7.666 -5.958 281 2HB LYS 35 1HB LYS 35 1.976 -8.985 -6.296 282 1HG LYS 35 2HG LYS 35 1.533 -6.823 -4.294 283 2HG LYS 35 1HG LYS 35 0.606 -7.151 -5.743 284 1HD LYS 35 2HD LYS 35 0.296 -9.534 -4.642 285 2HD LYS 35 1HD LYS 35 0.631 -8.658 -3.153 286 1HE LYS 35 2HE LYS 35 -1.348 -7.497 -3.226 287 2HE LYS 35 1HE LYS 35 -1.354 -7.419 -4.998 288 1HZ LYS 35 1HZ LYS 35 -1.516 -10.101 -3.840 289 2HZ LYS 35 3HZ LYS 35 -2.879 -9.120 -3.615 290 3HZ LYS 35 2HZ LYS 35 -2.320 -9.440 -5.183 291 H ASP 36 H ASP 36 5.357 -9.617 -5.615 292 HA ASP 36 HA ASP 36 4.759 -12.274 -6.726 293 1HB ASP 36 2HB ASP 36 6.046 -10.484 -7.901 294 2HB ASP 36 1HB ASP 36 7.308 -10.619 -6.675 295 H ASP 37 H ASP 37 7.165 -10.994 -4.337 296 HA ASP 37 HA ASP 37 7.569 -13.808 -3.373 297 1HB ASP 37 2HB ASP 37 9.446 -12.453 -4.462 298 2HB ASP 37 1HB ASP 37 9.422 -11.448 -3.014 299 HA PRO 38 HA PRO 38 5.473 -12.112 0.273 300 1HB PRO 38 2HB PRO 38 5.072 -14.529 1.479 301 2HB PRO 38 1HB PRO 38 4.067 -13.933 0.145 302 1HG PRO 38 2HG PRO 38 6.331 -15.862 0.066 303 2HG PRO 38 1HG PRO 38 4.758 -15.932 -0.746 304 1HD PRO 38 1HD PRO 38 7.005 -15.153 -2.011 305 2HD PRO 38 2HD PRO 38 5.398 -14.503 -2.409 306 H SER 39 H SER 39 8.201 -14.456 0.395 307 HA SER 39 HA SER 39 8.742 -14.164 3.203 308 1HB SER 39 2HB SER 39 10.736 -15.420 2.711 309 2HB SER 39 1HB SER 39 9.464 -16.021 1.656 310 HG SER 39 HG SER 39 10.380 -14.986 -0.042 311 H GLN 40 H GLN 40 9.893 -12.182 0.454 312 HA GLN 40 HA GLN 40 11.802 -10.783 2.231 313 1HB GLN 40 2HB GLN 40 12.479 -9.622 0.214 314 2HB GLN 40 1HB GLN 40 12.291 -11.334 -0.179 315 1HG GLN 40 2HG GLN 40 10.118 -10.915 -1.161 316 2HG GLN 40 1HG GLN 40 10.149 -9.249 -0.606 317 1HE2 GLN 40 1HE2 GLN 40 11.819 -11.508 -2.853 318 2HE2 GLN 40 2HE2 GLN 40 12.396 -10.289 -3.882 319 H SER 41 H SER 41 8.532 -10.619 2.144 320 HA SER 41 HA SER 41 7.847 -7.945 1.556 321 1HB SER 41 2HB SER 41 5.868 -8.434 2.967 322 2HB SER 41 1HB SER 41 6.276 -9.820 1.965 323 HG SER 41 HG SER 41 6.680 -10.925 3.712 324 H ALA 42 H ALA 42 8.897 -9.255 4.789 325 HA ALA 42 HA ALA 42 8.683 -6.725 6.178 326 1HB ALA 42 1HB ALA 42 10.656 -8.990 6.478 327 2HB ALA 42 2HB ALA 42 9.073 -8.903 7.263 328 3HB ALA 42 3HB ALA 42 10.340 -7.744 7.683 329 H ASN 43 H ASN 43 11.430 -8.302 4.508 330 HA ASN 43 HA ASN 43 13.430 -6.301 4.787 331 1HB ASN 43 2HB ASN 43 12.737 -8.498 2.894 332 2HB ASN 43 1HB ASN 43 13.929 -7.312 2.349 333 1HD2 ASN 43 1HD2 ASN 43 15.739 -6.881 4.133 334 2HD2 ASN 43 2HD2 ASN 43 16.303 -8.253 4.958 335 H LEU 44 H LEU 44 10.796 -6.724 2.433 336 HA LEU 44 HA LEU 44 11.467 -4.584 0.661 337 1HB LEU 44 2HB LEU 44 8.980 -6.098 1.372 338 2HB LEU 44 1HB LEU 44 8.914 -4.750 0.233 339 HG LEU 44 HG LEU 44 10.752 -7.133 0.023 340 1HD1 LEU 44 1HD1 LEU 44 8.192 -7.315 -0.351 341 2HD1 LEU 44 3HD1 LEU 44 8.515 -6.425 -1.838 342 3HD1 LEU 44 2HD1 LEU 44 9.280 -7.994 -1.563 343 1HD2 LEU 44 3HD2 LEU 44 10.768 -4.452 -1.120 344 2HD2 LEU 44 2HD2 LEU 44 11.954 -5.768 -1.271 345 3HD2 LEU 44 1HD2 LEU 44 10.579 -5.703 -2.393 346 H LEU 45 H LEU 45 9.394 -4.739 3.556 347 HA LEU 45 HA LEU 45 8.730 -1.912 3.348 348 1HB LEU 45 2HB LEU 45 7.352 -3.281 4.680 349 2HB LEU 45 1HB LEU 45 8.711 -3.936 5.583 350 HG LEU 45 HG LEU 45 9.090 -1.826 6.679 351 1HD1 LEU 45 3HD1 LEU 45 7.077 -0.772 4.675 352 2HD1 LEU 45 2HD1 LEU 45 7.507 0.116 6.132 353 3HD1 LEU 45 1HD1 LEU 45 8.739 -0.235 4.924 354 1HD2 LEU 45 2HD2 LEU 45 7.136 -3.339 7.365 355 2HD2 LEU 45 1HD2 LEU 45 7.120 -1.688 7.983 356 3HD2 LEU 45 3HD2 LEU 45 6.090 -2.132 6.622 357 H ALA 46 H ALA 46 11.211 -3.772 5.209 358 HA ALA 46 HA ALA 46 12.536 -1.586 6.489 359 1HB ALA 46 2HB ALA 46 13.336 -4.261 5.316 360 2HB ALA 46 1HB ALA 46 14.601 -3.169 5.902 361 3HB ALA 46 3HB ALA 46 13.346 -3.740 7.011 362 H GLU 47 H GLU 47 13.120 -2.906 3.157 363 HA GLU 47 HA GLU 47 15.186 -0.968 2.594 364 1HB GLU 47 2HB GLU 47 14.951 -1.770 0.251 365 2HB GLU 47 1HB GLU 47 15.154 -3.077 1.407 366 1HG GLU 47 2HG GLU 47 12.634 -3.268 1.361 367 2HG GLU 47 1HG GLU 47 12.703 -2.225 -0.057 368 H ALA 48 H ALA 48 11.622 -1.063 2.133 369 HA ALA 48 HA ALA 48 11.453 1.429 0.685 370 1HB ALA 48 3HB ALA 48 9.800 -0.533 1.202 371 2HB ALA 48 2HB ALA 48 9.474 0.368 2.688 372 3HB ALA 48 1HB ALA 48 9.154 1.104 1.109 373 H LYS 49 H LYS 49 11.560 0.547 4.142 374 HA LYS 49 HA LYS 49 11.110 3.140 5.334 375 1HB LYS 49 2HB LYS 49 12.517 0.570 6.128 376 2HB LYS 49 1HB LYS 49 12.345 1.890 7.255 377 1HG LYS 49 2HG LYS 49 10.117 0.350 5.925 378 2HG LYS 49 1HG LYS 49 10.595 0.233 7.609 379 1HD LYS 49 2HD LYS 49 10.123 2.763 7.701 380 2HD LYS 49 1HD LYS 49 9.266 2.508 6.175 381 1HE LYS 49 2HE LYS 49 7.501 1.572 7.234 382 2HE LYS 49 1HE LYS 49 8.564 0.465 8.127 383 1HZ LYS 49 1HZ LYS 49 9.107 2.271 9.650 384 2HZ LYS 49 3HZ LYS 49 8.090 3.332 8.799 385 3HZ LYS 49 2HZ LYS 49 7.430 2.005 9.629 386 H LYS 50 H LYS 50 13.868 1.238 4.328 387 HA LYS 50 HA LYS 50 16.061 2.909 5.056 388 1HB LYS 50 2HB LYS 50 16.469 0.638 4.584 389 2HB LYS 50 1HB LYS 50 15.408 0.654 3.195 390 1HG LYS 50 2HG LYS 50 17.263 2.272 2.195 391 2HG LYS 50 1HG LYS 50 18.278 1.437 3.373 392 1HD LYS 50 2HD LYS 50 16.469 -0.030 1.413 393 2HD LYS 50 1HD LYS 50 18.167 0.330 1.074 394 1HE LYS 50 2HE LYS 50 17.481 -1.052 3.667 395 2HE LYS 50 1HE LYS 50 17.509 -1.995 2.168 396 1HZ LYS 50 3HZ LYS 50 19.723 -1.124 1.692 397 2HZ LYS 50 2HZ LYS 50 19.705 -0.231 3.141 398 3HZ LYS 50 1HZ LYS 50 19.708 -1.929 3.185 399 H LEU 51 H LEU 51 14.044 2.662 2.120 400 HA LEU 51 HA LEU 51 15.483 4.652 0.561 401 1HB LEU 51 2HB LEU 51 12.998 3.037 0.449 402 2HB LEU 51 1HB LEU 51 12.938 4.544 -0.447 403 HG LEU 51 HG LEU 51 14.567 3.876 -1.947 404 1HD1 LEU 51 1HD1 LEU 51 15.582 2.160 0.300 405 2HD1 LEU 51 3HD1 LEU 51 16.015 1.764 -1.364 406 3HD1 LEU 51 2HD1 LEU 51 16.461 3.333 -0.684 407 1HD2 LEU 51 1HD2 LEU 51 12.890 1.628 -0.985 408 2HD2 LEU 51 3HD2 LEU 51 12.939 2.391 -2.574 409 3HD2 LEU 51 2HD2 LEU 51 14.188 1.229 -2.115 410 H ASN 52 H ASN 52 12.672 4.684 2.716 411 HA ASN 52 HA ASN 52 11.687 7.287 2.249 412 1HB ASN 52 2HB ASN 52 10.678 5.392 3.576 413 2HB ASN 52 1HB ASN 52 11.811 5.773 4.873 414 1HD2 ASN 52 1HD2 ASN 52 11.196 7.399 6.314 415 2HD2 ASN 52 2HD2 ASN 52 9.881 8.448 6.073 416 H ASP 53 H ASP 53 14.246 6.161 4.489 417 HA ASP 53 HA ASP 53 14.785 8.883 5.493 418 1HB ASP 53 2HB ASP 53 16.251 6.249 5.844 419 2HB ASP 53 1HB ASP 53 16.539 7.713 6.778 420 H ALA 54 H ALA 54 16.373 6.573 3.254 421 HA ALA 54 HA ALA 54 18.766 8.138 2.803 422 1HB ALA 54 1HB ALA 54 17.357 6.100 1.042 423 2HB ALA 54 3HB ALA 54 19.052 6.574 0.918 424 3HB ALA 54 2HB ALA 54 18.479 5.705 2.343 425 H GLN 55 H GLN 55 15.758 7.768 0.878 426 HA GLN 55 HA GLN 55 16.426 9.809 -1.078 427 1HB GLN 55 2HB GLN 55 13.802 8.537 -0.258 428 2HB GLN 55 1HB GLN 55 14.022 9.543 -1.686 429 1HG GLN 55 2HG GLN 55 15.746 7.938 -2.518 430 2HG GLN 55 1HG GLN 55 15.417 6.898 -1.129 431 1HE2 GLN 55 1HE2 GLN 55 12.729 6.771 -0.899 432 2HE2 GLN 55 2HE2 GLN 55 11.992 6.245 -2.334 433 H ALA 56 H ALA 56 14.998 9.886 2.143 434 HA ALA 56 HA ALA 56 13.415 12.210 2.108 435 1HB ALA 56 3HB ALA 56 14.722 12.324 4.533 436 2HB ALA 56 1HB ALA 56 14.918 10.629 4.078 437 3HB ALA 56 2HB ALA 56 13.305 11.330 4.193 438 HA PRO 57 HA PRO 57 16.130 15.579 1.474 439 1HB PRO 57 2HB PRO 57 14.727 17.551 2.751 440 2HB PRO 57 1HB PRO 57 14.236 16.872 1.186 441 1HG PRO 57 2HG PRO 57 13.225 16.244 3.914 442 2HG PRO 57 1HG PRO 57 12.326 16.457 2.403 443 1HD PRO 57 1HD PRO 57 12.904 14.024 3.443 444 2HD PRO 57 2HD PRO 57 12.759 14.313 1.695 445 H LYS 58 H LYS 58 17.808 16.666 2.571 446 HA LYS 58 HA LYS 58 17.882 16.512 5.565 447 1HB LYS 58 2HB LYS 58 19.970 15.554 3.570 448 2HB LYS 58 1HB LYS 58 20.267 15.707 5.302 449 1HG LYS 58 2HG LYS 58 18.392 14.135 5.745 450 2HG LYS 58 1HG LYS 58 18.163 13.947 4.007 451 1HD LYS 58 2HD LYS 58 20.551 13.166 3.846 452 2HD LYS 58 1HD LYS 58 20.621 13.189 5.607 453 1HE LYS 58 2HE LYS 58 20.019 10.955 5.197 454 2HE LYS 58 1HE LYS 58 18.427 11.704 5.410 455 1HZ LYS 58 1HZ LYS 58 18.312 12.062 3.011 456 2HZ LYS 58 3HZ LYS 58 19.829 11.325 2.807 457 3HZ LYS 58 2HZ LYS 58 18.508 10.412 3.361 458 H1 VAL 1 1H VAL 1 -6.222 -14.450 -10.655 459 H2 VAL 1 3H VAL 1 -7.904 -14.645 -10.771 460 H3 VAL 1 2H VAL 1 -6.934 -14.771 -12.160 461 HA VAL 1 HA VAL 1 -6.491 -12.480 -12.244 462 HB VAL 1 HB VAL 1 -9.351 -12.926 -11.289 463 1HG1 VAL 1 3HG1 VAL 1 -8.699 -10.528 -11.413 464 2HG1 VAL 1 2HG1 VAL 1 -8.206 -10.764 -13.088 465 3HG1 VAL 1 1HG1 VAL 1 -9.899 -10.949 -12.632 466 1HG2 VAL 1 3HG2 VAL 1 -7.994 -13.230 -13.980 467 2HG2 VAL 1 2HG2 VAL 1 -8.961 -14.421 -13.109 468 3HG2 VAL 1 1HG2 VAL 1 -9.738 -13.014 -13.832 469 H ASP 2 H ASP 2 -8.315 -13.125 -9.193 470 HA ASP 2 HA ASP 2 -7.553 -10.607 -7.958 471 1HB ASP 2 2HB ASP 2 -8.666 -11.557 -5.995 472 2HB ASP 2 1HB ASP 2 -9.607 -11.943 -7.431 473 H ASN 3 H ASN 3 -6.290 -10.531 -5.863 474 HA ASN 3 HA ASN 3 -4.214 -10.734 -4.766 475 1HB ASN 3 2HB ASN 3 -5.627 -12.984 -4.437 476 2HB ASN 3 1HB ASN 3 -4.288 -13.681 -5.348 477 1HD2 ASN 3 1HD2 ASN 3 -5.137 -13.693 -2.305 478 2HD2 ASN 3 2HD2 ASN 3 -3.679 -13.347 -1.511 479 H LYS 4 H LYS 4 -3.932 -9.950 -7.403 480 HA LYS 4 HA LYS 4 -1.319 -11.140 -8.182 481 1HB LYS 4 2HB LYS 4 -3.175 -12.374 -9.304 482 2HB LYS 4 1HB LYS 4 -3.706 -10.855 -10.021 483 1HG LYS 4 2HG LYS 4 -1.406 -10.648 -11.063 484 2HG LYS 4 1HG LYS 4 -1.078 -12.285 -10.500 485 1HD LYS 4 2HD LYS 4 -1.923 -12.863 -12.547 486 2HD LYS 4 1HD LYS 4 -3.469 -12.692 -11.717 487 1HE LYS 4 2HE LYS 4 -2.166 -10.312 -13.068 488 2HE LYS 4 1HE LYS 4 -3.190 -11.436 -13.977 489 1HZ LYS 4 2HZ LYS 4 -4.816 -11.111 -12.008 490 2HZ LYS 4 1HZ LYS 4 -3.920 -9.702 -11.697 491 3HZ LYS 4 3HZ LYS 4 -4.708 -9.892 -13.183 492 H PHE 5 H PHE 5 -3.738 -8.649 -8.918 493 HA PHE 5 HA PHE 5 -2.228 -6.927 -10.567 494 1HB PHE 5 2HB PHE 5 -4.473 -6.510 -8.583 495 2HB PHE 5 1HB PHE 5 -3.904 -5.234 -9.633 496 HD1 PHE 5 HD1 PHE 5 -6.016 -8.115 -9.351 497 HD2 PHE 5 HD2 PHE 5 -3.909 -5.660 -12.179 498 HE1 PHE 5 HE1 PHE 5 -7.449 -8.984 -11.175 499 HE2 PHE 5 HE2 PHE 5 -5.343 -6.533 -14.003 500 HZ PHE 5 HZ PHE 5 -7.114 -8.194 -13.501 501 H ASN 6 H ASN 6 -0.103 -6.521 -9.846 502 HA ASN 6 HA ASN 6 0.327 -5.376 -7.143 503 1HB ASN 6 2HB ASN 6 2.784 -5.521 -7.868 504 2HB ASN 6 1HB ASN 6 1.930 -7.046 -7.694 505 1HD2 ASN 6 1HD2 ASN 6 1.839 -8.410 -9.537 506 2HD2 ASN 6 2HD2 ASN 6 2.398 -7.958 -11.073 507 H LYS 7 H LYS 7 0.724 -4.433 -10.525 508 HA LYS 7 HA LYS 7 1.745 -1.781 -10.089 509 1HB LYS 7 2HB LYS 7 0.066 -3.038 -12.276 510 2HB LYS 7 1HB LYS 7 0.754 -1.417 -12.407 511 1HG LYS 7 2HG LYS 7 3.029 -2.371 -12.055 512 2HG LYS 7 1HG LYS 7 2.323 -3.984 -12.013 513 1HD LYS 7 2HD LYS 7 1.439 -3.637 -14.310 514 2HD LYS 7 1HD LYS 7 2.221 -2.058 -14.350 515 1HE LYS 7 2HE LYS 7 3.799 -3.467 -15.422 516 2HE LYS 7 1HE LYS 7 4.404 -3.390 -13.757 517 1HZ LYS 7 1HZ LYS 7 2.548 -5.483 -14.782 518 2HZ LYS 7 3HZ LYS 7 4.220 -5.691 -14.604 519 3HZ LYS 7 2HZ LYS 7 3.253 -5.424 -13.235 520 H GLU 8 H GLU 8 -1.477 -3.124 -10.048 521 HA GLU 8 HA GLU 8 -2.985 -0.696 -10.034 522 1HB GLU 8 2HB GLU 8 -3.341 -3.562 -9.571 523 2HB GLU 8 1HB GLU 8 -4.413 -2.584 -8.568 524 1HG GLU 8 2HG GLU 8 -4.730 -1.300 -10.913 525 2HG GLU 8 1HG GLU 8 -4.336 -2.911 -11.525 526 H LEU 9 H LEU 9 -1.341 -2.453 -7.430 527 HA LEU 9 HA LEU 9 -2.639 -0.955 -5.310 528 1HB LEU 9 2HB LEU 9 0.067 -2.248 -5.098 529 2HB LEU 9 1HB LEU 9 -1.099 -1.944 -3.864 530 HG LEU 9 HG LEU 9 -1.859 -3.762 -6.111 531 1HD1 LEU 9 1HD1 LEU 9 0.150 -4.224 -4.001 532 2HD1 LEU 9 3HD1 LEU 9 -1.135 -5.432 -4.015 533 3HD1 LEU 9 2HD1 LEU 9 -0.151 -5.174 -5.459 534 1HD2 LEU 9 2HD2 LEU 9 -2.692 -3.288 -3.232 535 2HD2 LEU 9 1HD2 LEU 9 -3.662 -3.014 -4.681 536 3HD2 LEU 9 3HD2 LEU 9 -3.264 -4.659 -4.167 537 H SER 10 H SER 10 0.100 -0.334 -7.407 538 HA SER 10 HA SER 10 1.372 1.703 -5.799 539 1HB SER 10 2HB SER 10 2.575 0.782 -7.610 540 2HB SER 10 1HB SER 10 1.244 0.980 -8.729 541 HG SER 10 HG SER 10 1.800 3.015 -9.026 542 H VAL 11 H VAL 11 -1.169 1.758 -8.354 543 HA VAL 11 HA VAL 11 -1.671 4.655 -8.019 544 HB VAL 11 HB VAL 11 -3.228 2.551 -9.569 545 1HG1 VAL 11 1HG1 VAL 11 -2.912 5.549 -9.904 546 2HG1 VAL 11 3HG1 VAL 11 -3.778 4.496 -11.023 547 3HG1 VAL 11 2HG1 VAL 11 -4.366 4.703 -9.373 548 1HG2 VAL 11 3HG2 VAL 11 -0.777 4.148 -10.395 549 2HG2 VAL 11 2HG2 VAL 11 -0.881 2.391 -10.233 550 3HG2 VAL 11 1HG2 VAL 11 -1.782 3.219 -11.510 551 H ALA 12 H ALA 12 -3.666 1.686 -7.619 552 HA ALA 12 HA ALA 12 -5.884 2.890 -6.277 553 1HB ALA 12 2HB ALA 12 -5.631 0.584 -7.413 554 2HB ALA 12 3HB ALA 12 -6.585 0.647 -5.932 555 3HB ALA 12 1HB ALA 12 -4.921 0.048 -5.881 556 H GLY 13 H GLY 13 -3.210 1.022 -4.939 557 1HA GLY 13 1HA GLY 13 -2.236 0.960 -2.837 558 2HA GLY 13 2HA GLY 13 -3.846 1.310 -2.209 559 H ARG 14 H ARG 14 -1.523 3.202 -4.158 560 HA ARG 14 HA ARG 14 -0.698 4.912 -2.091 561 1HB ARG 14 2HB ARG 14 0.344 4.802 -4.286 562 2HB ARG 14 1HB ARG 14 -1.078 5.546 -5.022 563 1HG ARG 14 2HG ARG 14 -0.275 7.587 -4.519 564 2HG ARG 14 1HG ARG 14 -0.291 7.154 -2.810 565 1HD ARG 14 2HD ARG 14 1.965 7.825 -3.511 566 2HD ARG 14 1HD ARG 14 1.916 6.115 -3.046 567 HE ARG 14 HE ARG 14 2.136 5.504 -5.364 568 1HH1 ARG 14 1HH1 ARG 14 0.261 7.476 -6.580 569 2HH1 ARG 14 2HH1 ARG 14 1.329 8.518 -7.459 570 1HH2 ARG 14 1HH2 ARG 14 4.182 7.458 -5.766 571 2HH2 ARG 14 2HH2 ARG 14 3.564 8.504 -6.997 572 H GLU 15 H GLU 15 -3.478 5.502 -4.353 573 HA GLU 15 HA GLU 15 -4.180 8.066 -3.226 574 1HB GLU 15 2HB GLU 15 -5.675 5.954 -4.785 575 2HB GLU 15 1HB GLU 15 -6.399 7.505 -4.369 576 1HG GLU 15 2HG GLU 15 -3.836 7.133 -5.955 577 2HG GLU 15 1HG GLU 15 -5.404 7.547 -6.639 578 H ILE 16 H ILE 16 -5.276 4.764 -2.472 579 HA ILE 16 HA ILE 16 -7.303 5.341 -0.516 580 HB ILE 16 HB ILE 16 -5.400 3.023 -1.020 581 1HG1 ILE 16 2HG1 ILE 16 -8.380 3.196 -1.589 582 2HG1 ILE 16 1HG1 ILE 16 -7.192 3.789 -2.742 583 1HG2 ILE 16 3HG2 ILE 16 -7.652 3.315 0.971 584 2HG2 ILE 16 2HG2 ILE 16 -7.344 1.739 0.235 585 3HG2 ILE 16 1HG2 ILE 16 -6.080 2.540 1.175 586 1HD1 ILE 16 3HD1 ILE 16 -6.117 1.415 -2.417 587 2HD1 ILE 16 2HD1 ILE 16 -7.724 0.980 -1.843 588 3HD1 ILE 16 1HD1 ILE 16 -7.512 1.613 -3.479 589 H VAL 17 H VAL 17 -3.797 5.033 -0.330 590 HA VAL 17 HA VAL 17 -3.711 5.153 2.607 591 HB VAL 17 HB VAL 17 -2.353 3.774 0.933 592 1HG1 VAL 17 1HG1 VAL 17 -1.191 6.430 0.414 593 2HG1 VAL 17 3HG1 VAL 17 -0.114 5.038 0.431 594 3HG1 VAL 17 2HG1 VAL 17 -1.490 5.074 -0.660 595 1HG2 VAL 17 3HG2 VAL 17 -1.205 5.239 3.237 596 2HG2 VAL 17 2HG2 VAL 17 -1.682 3.533 3.099 597 3HG2 VAL 17 1HG2 VAL 17 -0.211 4.117 2.307 598 H THR 18 H THR 18 -3.686 7.500 0.007 599 HA THR 18 HA THR 18 -2.439 9.517 1.842 600 HB THR 18 HB THR 18 -1.707 10.661 -0.205 601 HG1 THR 18 HG1 THR 18 -2.907 10.235 -1.871 602 1HG2 THR 18 3HG2 THR 18 -0.784 8.202 0.782 603 2HG2 THR 18 2HG2 THR 18 -0.739 8.050 -0.971 604 3HG2 THR 18 1HG2 THR 18 0.123 9.367 -0.179 605 H LEU 19 H LEU 19 -5.602 8.781 0.701 606 HA LEU 19 HA LEU 19 -6.345 11.443 -0.165 607 1HB LEU 19 2HB LEU 19 -8.679 10.730 0.316 608 2HB LEU 19 1HB LEU 19 -7.782 9.608 -0.683 609 HG LEU 19 HG LEU 19 -7.581 9.003 2.183 610 1HD1 LEU 19 2HD1 LEU 19 -10.227 9.141 0.737 611 2HD1 LEU 19 1HD1 LEU 19 -9.976 8.108 2.146 612 3HD1 LEU 19 3HD1 LEU 19 -9.799 9.860 2.288 613 1HD2 LEU 19 1HD2 LEU 19 -8.229 7.575 -0.404 614 2HD2 LEU 19 3HD2 LEU 19 -6.873 7.308 0.687 615 3HD2 LEU 19 2HD2 LEU 19 -8.486 6.775 1.146 616 HA PRO 20 HA PRO 20 -5.984 13.854 3.393 617 1HB PRO 20 2HB PRO 20 -7.748 15.862 2.834 618 2HB PRO 20 1HB PRO 20 -6.197 15.648 2.002 619 1HG PRO 20 2HG PRO 20 -8.938 14.913 1.114 620 2HG PRO 20 1HG PRO 20 -7.587 15.575 0.181 621 1HD PRO 20 1HD PRO 20 -8.309 12.935 0.161 622 2HD PRO 20 2HD PRO 20 -6.661 13.519 -0.174 623 H ASN 21 H ASN 21 -9.426 13.034 2.731 624 HA ASN 21 HA ASN 21 -10.152 13.858 5.490 625 1HB ASN 21 2HB ASN 21 -11.745 12.753 3.180 626 2HB ASN 21 1HB ASN 21 -12.443 13.269 4.701 627 1HD2 ASN 21 1HD2 ASN 21 -13.351 14.561 2.445 628 2HD2 ASN 21 2HD2 ASN 21 -12.725 16.137 2.365 629 H LEU 22 H LEU 22 -8.667 11.101 4.508 630 HA LEU 22 HA LEU 22 -10.459 9.195 5.899 631 1HB LEU 22 2HB LEU 22 -9.195 8.772 3.737 632 2HB LEU 22 1HB LEU 22 -7.749 8.703 4.712 633 HG LEU 22 HG LEU 22 -8.661 6.827 5.986 634 1HD1 LEU 22 1HD1 LEU 22 -11.147 7.714 4.853 635 2HD1 LEU 22 3HD1 LEU 22 -10.863 6.050 4.338 636 3HD1 LEU 22 2HD1 LEU 22 -10.877 6.447 6.059 637 1HD2 LEU 22 1HD2 LEU 22 -7.579 6.695 3.543 638 2HD2 LEU 22 3HD2 LEU 22 -8.169 5.249 4.373 639 3HD2 LEU 22 2HD2 LEU 22 -9.167 6.031 3.149 640 H ASN 23 H ASN 23 -9.666 7.858 7.552 641 HA ASN 23 HA ASN 23 -7.602 9.156 9.314 642 1HB ASN 23 2HB ASN 23 -8.771 8.074 11.184 643 2HB ASN 23 1HB ASN 23 -9.882 9.062 10.247 644 1HD2 ASN 23 1HD2 ASN 23 -10.930 7.028 11.889 645 2HD2 ASN 23 2HD2 ASN 23 -11.541 5.775 10.922 646 H ASP 24 H ASP 24 -6.112 7.736 10.448 647 HA ASP 24 HA ASP 24 -4.785 5.908 8.819 648 1HB ASP 24 2HB ASP 24 -3.443 5.375 10.792 649 2HB ASP 24 1HB ASP 24 -3.774 7.097 10.685 650 HA PRO 25 HA PRO 25 -6.695 2.113 11.048 651 1HB PRO 25 2HB PRO 25 -9.301 2.285 11.874 652 2HB PRO 25 1HB PRO 25 -7.918 2.617 12.934 653 1HG PRO 25 2HG PRO 25 -9.712 4.512 11.516 654 2HG PRO 25 1HG PRO 25 -9.009 4.621 13.136 655 1HD PRO 25 1HD PRO 25 -8.048 5.980 10.990 656 2HD PRO 25 2HD PRO 25 -7.055 5.496 12.370 657 H GLN 26 H GLN 26 -9.063 4.192 9.208 658 HA GLN 26 HA GLN 26 -10.279 1.906 7.901 659 1HB GLN 26 2HB GLN 26 -10.257 4.879 7.311 660 2HB GLN 26 1HB GLN 26 -11.214 3.712 6.389 661 1HG GLN 26 2HG GLN 26 -12.138 2.902 8.645 662 2HG GLN 26 1HG GLN 26 -11.431 4.355 9.340 663 1HE2 GLN 26 1HE2 GLN 26 -12.109 6.470 7.998 664 2HE2 GLN 26 2HE2 GLN 26 -13.743 6.530 7.548 665 H LYS 27 H LYS 27 -7.746 4.254 6.772 666 HA LYS 27 HA LYS 27 -7.304 3.014 4.224 667 1HB LYS 27 2HB LYS 27 -4.906 3.886 4.553 668 2HB LYS 27 1HB LYS 27 -6.205 5.074 4.509 669 1HG LYS 27 2HG LYS 27 -6.135 4.916 7.099 670 2HG LYS 27 1HG LYS 27 -4.598 4.102 6.867 671 1HD LYS 27 2HD LYS 27 -4.047 6.402 7.119 672 2HD LYS 27 1HD LYS 27 -3.938 6.081 5.391 673 1HE LYS 27 2HE LYS 27 -5.688 7.463 4.893 674 2HE LYS 27 1HE LYS 27 -6.624 6.943 6.302 675 1HZ LYS 27 3HZ LYS 27 -5.105 8.219 7.720 676 2HZ LYS 27 2HZ LYS 27 -4.264 8.757 6.345 677 3HZ LYS 27 1HZ LYS 27 -5.880 9.218 6.592 678 H LYS 28 H LYS 28 -6.111 2.227 7.453 679 HA LYS 28 HA LYS 28 -4.113 0.310 6.809 680 1HB LYS 28 2HB LYS 28 -5.669 1.202 9.095 681 2HB LYS 28 1HB LYS 28 -5.608 -0.558 9.112 682 1HG LYS 28 2HG LYS 28 -3.118 0.989 8.587 683 2HG LYS 28 1HG LYS 28 -3.686 0.836 10.238 684 1HD LYS 28 2HD LYS 28 -3.429 -1.482 10.246 685 2HD LYS 28 1HD LYS 28 -3.502 -1.593 8.485 686 1HE LYS 28 2HE LYS 28 -1.275 -1.009 8.205 687 2HE LYS 28 1HE LYS 28 -1.229 -0.051 9.696 688 1HZ LYS 28 1HZ LYS 28 -1.632 -2.996 9.715 689 2HZ LYS 28 3HZ LYS 28 -0.090 -2.294 9.790 690 3HZ LYS 28 2HZ LYS 28 -1.222 -1.984 11.019 691 H ALA 29 H ALA 29 -7.558 -0.366 7.703 692 HA ALA 29 HA ALA 29 -7.561 -3.119 6.851 693 1HB ALA 29 3HB ALA 29 -10.033 -2.813 6.995 694 2HB ALA 29 1HB ALA 29 -9.794 -1.069 7.099 695 3HB ALA 29 2HB ALA 29 -9.207 -2.119 8.390 696 H PHE 30 H PHE 30 -8.179 -0.073 5.144 697 HA PHE 30 HA PHE 30 -9.338 -1.106 2.725 698 1HB PHE 30 2HB PHE 30 -8.359 1.381 3.836 699 2HB PHE 30 1HB PHE 30 -7.749 1.206 2.200 700 HD1 PHE 30 HD1 PHE 30 -9.317 0.741 0.333 701 HD2 PHE 30 HD2 PHE 30 -10.634 1.871 4.260 702 HE1 PHE 30 HE1 PHE 30 -11.550 1.382 -0.579 703 HE2 PHE 30 HE2 PHE 30 -12.847 2.505 3.356 704 HZ PHE 30 HZ PHE 30 -13.300 2.268 0.944 705 H ILE 31 H ILE 31 -5.985 -0.064 3.394 706 HA ILE 31 HA ILE 31 -4.901 -0.955 0.919 707 HB ILE 31 HB ILE 31 -3.815 -0.411 3.699 708 1HG1 ILE 31 2HG1 ILE 31 -3.958 1.108 1.121 709 2HG1 ILE 31 1HG1 ILE 31 -4.057 1.699 2.794 710 1HG2 ILE 31 2HG2 ILE 31 -2.505 -2.244 2.285 711 2HG2 ILE 31 1HG2 ILE 31 -1.881 -0.817 1.436 712 3HG2 ILE 31 3HG2 ILE 31 -1.651 -0.998 3.180 713 1HD1 ILE 31 2HD1 ILE 31 -1.511 0.651 1.605 714 2HD1 ILE 31 1HD1 ILE 31 -1.980 2.325 1.467 715 3HD1 ILE 31 3HD1 ILE 31 -1.724 1.630 3.065 716 H PHE 32 H PHE 32 -5.213 -2.531 4.133 717 HA PHE 32 HA PHE 32 -3.835 -4.947 3.479 718 1HB PHE 32 2HB PHE 32 -5.765 -4.038 5.601 719 2HB PHE 32 1HB PHE 32 -5.393 -5.757 5.486 720 HD1 PHE 32 HD1 PHE 32 -3.400 -2.480 5.250 721 HD2 PHE 32 HD2 PHE 32 -3.599 -6.517 6.938 722 HE1 PHE 32 HE1 PHE 32 -1.285 -2.162 6.420 723 HE2 PHE 32 HE2 PHE 32 -1.474 -6.089 8.038 724 HZ PHE 32 HZ PHE 32 -0.318 -3.980 7.753 725 H SER 33 H SER 33 -7.282 -3.980 2.907 726 HA SER 33 HA SER 33 -8.002 -6.697 1.970 727 1HB SER 33 2HB SER 33 -10.116 -5.595 1.341 728 2HB SER 33 1HB SER 33 -9.649 -5.101 2.958 729 HG SER 33 HG SER 33 -9.481 -3.134 2.273 730 H LEU 34 H LEU 34 -6.914 -3.624 0.595 731 HA LEU 34 HA LEU 34 -7.156 -4.206 -2.216 732 1HB LEU 34 2HB LEU 34 -6.943 -1.972 -1.575 733 2HB LEU 34 1HB LEU 34 -5.710 -2.301 -0.386 734 HG LEU 34 HG LEU 34 -4.328 -2.874 -2.602 735 1HD1 LEU 34 2HD1 LEU 34 -6.503 -2.263 -3.932 736 2HD1 LEU 34 1HD1 LEU 34 -6.074 -0.589 -3.564 737 3HD1 LEU 34 3HD1 LEU 34 -4.970 -1.607 -4.497 738 1HD2 LEU 34 3HD2 LEU 34 -3.861 -1.164 -0.800 739 2HD2 LEU 34 2HD2 LEU 34 -3.423 -0.624 -2.417 740 3HD2 LEU 34 1HD2 LEU 34 -4.909 -0.049 -1.674 741 H TRP 35 H TRP 35 -4.581 -4.819 0.179 742 HA TRP 35 HA TRP 35 -2.609 -5.833 -1.689 743 1HB TRP 35 2HB TRP 35 -2.130 -5.011 0.607 744 2HB TRP 35 1HB TRP 35 -2.994 -6.401 1.267 745 HD1 TRP 35 HD1 TRP 35 -1.571 -8.504 1.633 746 HE1 TRP 35 HE1 TRP 35 0.644 -9.390 0.731 747 HE3 TRP 35 HE3 TRP 35 -0.470 -4.833 -1.700 748 HZ2 TRP 35 HZ2 TRP 35 2.667 -8.619 -1.152 749 HZ3 TRP 35 HZ3 TRP 35 1.605 -4.947 -3.035 750 HH2 TRP 35 HH2 TRP 35 3.162 -6.811 -2.753 751 H ASP 36 H ASP 36 -5.049 -7.429 0.422 752 HA ASP 36 HA ASP 36 -4.325 -10.130 -0.175 753 1HB ASP 36 2HB ASP 36 -5.925 -8.922 1.621 754 2HB ASP 36 1HB ASP 36 -7.158 -9.399 0.455 755 H ASP 37 H ASP 37 -6.856 -7.997 -1.581 756 HA ASP 37 HA ASP 37 -6.765 -9.711 -3.995 757 1HB ASP 37 2HB ASP 37 -9.210 -8.868 -2.417 758 2HB ASP 37 1HB ASP 37 -9.308 -9.492 -4.061 759 HA PRO 38 HA PRO 38 -6.416 -5.257 -5.093 760 1HB PRO 38 2HB PRO 38 -4.606 -5.606 -7.085 761 2HB PRO 38 1HB PRO 38 -4.166 -5.408 -5.385 762 1HG PRO 38 2HG PRO 38 -4.405 -7.920 -6.980 763 2HG PRO 38 1HG PRO 38 -3.153 -7.448 -5.818 764 1HD PRO 38 1HD PRO 38 -5.155 -9.135 -5.177 765 2HD PRO 38 2HD PRO 38 -4.451 -8.013 -3.997 766 H SER 39 H SER 39 -7.719 -8.027 -6.555 767 HA SER 39 HA SER 39 -8.211 -7.180 -9.260 768 1HB SER 39 2HB SER 39 -8.765 -9.350 -7.649 769 2HB SER 39 1HB SER 39 -10.354 -8.623 -7.809 770 HG SER 39 HG SER 39 -9.737 -10.170 -9.485 771 H GLN 40 H GLN 40 -9.660 -6.460 -6.113 772 HA GLN 40 HA GLN 40 -11.802 -4.722 -7.222 773 1HB GLN 40 2HB GLN 40 -11.074 -4.974 -4.309 774 2HB GLN 40 1HB GLN 40 -12.661 -4.742 -5.022 775 1HG GLN 40 2HG GLN 40 -11.030 -7.290 -4.928 776 2HG GLN 40 1HG GLN 40 -12.540 -6.965 -4.093 777 1HE2 GLN 40 1HE2 GLN 40 -11.729 -9.017 -6.281 778 2HE2 GLN 40 2HE2 GLN 40 -12.947 -8.851 -7.452 779 H SER 41 H SER 41 -8.535 -4.220 -6.898 780 HA SER 41 HA SER 41 -8.086 -2.051 -5.184 781 1HB SER 41 2HB SER 41 -6.930 -2.830 -7.824 782 2HB SER 41 1HB SER 41 -6.344 -1.443 -6.932 783 HG SER 41 HG SER 41 -5.149 -3.242 -6.360 784 H ALA 42 H ALA 42 -9.355 -1.958 -8.547 785 HA ALA 42 HA ALA 42 -9.390 0.900 -8.864 786 1HB ALA 42 1HB ALA 42 -11.236 -1.266 -9.955 787 2HB ALA 42 3HB ALA 42 -11.093 0.366 -10.611 788 3HB ALA 42 2HB ALA 42 -9.722 -0.740 -10.694 789 H ASN 43 H ASN 43 -11.826 -1.406 -7.597 790 HA ASN 43 HA ASN 43 -13.799 0.552 -6.879 791 1HB ASN 43 2HB ASN 43 -14.118 -1.931 -7.261 792 2HB ASN 43 1HB ASN 43 -13.314 -2.207 -5.717 793 1HD2 ASN 43 1HD2 ASN 43 -14.535 -1.862 -3.791 794 2HD2 ASN 43 2HD2 ASN 43 -16.155 -1.360 -3.794 795 H LEU 44 H LEU 44 -11.033 -0.938 -5.149 796 HA LEU 44 HA LEU 44 -11.572 0.001 -2.502 797 1HB LEU 44 2HB LEU 44 -9.225 -0.899 -4.111 798 2HB LEU 44 1HB LEU 44 -8.905 -0.127 -2.563 799 HG LEU 44 HG LEU 44 -11.046 -2.168 -2.565 800 1HD1 LEU 44 3HD1 LEU 44 -8.359 -2.710 -3.604 801 2HD1 LEU 44 2HD1 LEU 44 -8.751 -3.682 -2.174 802 3HD1 LEU 44 1HD1 LEU 44 -9.796 -3.747 -3.592 803 1HD2 LEU 44 1HD2 LEU 44 -8.716 -1.356 -0.782 804 2HD2 LEU 44 3HD2 LEU 44 -10.442 -1.044 -0.525 805 3HD2 LEU 44 2HD2 LEU 44 -9.810 -2.696 -0.403 806 H LEU 45 H LEU 45 -9.569 1.364 -5.040 807 HA LEU 45 HA LEU 45 -8.735 3.783 -3.842 808 1HB LEU 45 2HB LEU 45 -7.831 2.949 -5.939 809 2HB LEU 45 1HB LEU 45 -9.415 2.993 -6.699 810 HG LEU 45 HG LEU 45 -9.404 5.328 -6.885 811 1HD1 LEU 45 2HD1 LEU 45 -7.456 5.175 -4.611 812 2HD1 LEU 45 1HD1 LEU 45 -7.435 6.589 -5.676 813 3HD1 LEU 45 3HD1 LEU 45 -8.901 6.178 -4.790 814 1HD2 LEU 45 3HD2 LEU 45 -7.709 4.237 -8.346 815 2HD2 LEU 45 2HD2 LEU 45 -7.253 5.887 -7.921 816 3HD2 LEU 45 1HD2 LEU 45 -6.487 4.524 -7.107 817 H ALA 46 H ALA 46 -11.654 3.067 -5.766 818 HA ALA 46 HA ALA 46 -12.888 5.657 -5.661 819 1HB ALA 46 2HB ALA 46 -14.810 4.396 -6.428 820 2HB ALA 46 1HB ALA 46 -13.388 3.585 -7.090 821 3HB ALA 46 3HB ALA 46 -14.196 2.922 -5.666 822 H GLU 47 H GLU 47 -13.287 2.728 -3.673 823 HA GLU 47 HA GLU 47 -15.206 3.641 -1.803 824 1HB GLU 47 2HB GLU 47 -13.029 1.540 -1.871 825 2HB GLU 47 1HB GLU 47 -14.053 1.725 -0.450 826 1HG GLU 47 2HG GLU 47 -15.016 1.149 -3.268 827 2HG GLU 47 1HG GLU 47 -15.003 0.013 -1.926 828 H ALA 48 H ALA 48 -11.675 3.934 -1.866 829 HA ALA 48 HA ALA 48 -11.288 4.913 0.827 830 1HB ALA 48 2HB ALA 48 -9.246 4.346 -0.030 831 2HB ALA 48 3HB ALA 48 -9.232 5.958 -0.753 832 3HB ALA 48 1HB ALA 48 -9.791 4.555 -1.698 833 H LYS 49 H LYS 49 -11.579 6.571 -2.344 834 HA LYS 49 HA LYS 49 -11.534 9.279 -1.357 835 1HB LYS 49 2HB LYS 49 -12.746 7.996 -3.835 836 2HB LYS 49 1HB LYS 49 -12.552 9.737 -3.621 837 1HG LYS 49 2HG LYS 49 -10.103 9.419 -3.357 838 2HG LYS 49 1HG LYS 49 -10.307 7.688 -3.623 839 1HD LYS 49 2HD LYS 49 -11.382 8.266 -5.851 840 2HD LYS 49 1HD LYS 49 -10.858 9.930 -5.584 841 1HE LYS 49 2HE LYS 49 -8.589 8.296 -5.064 842 2HE LYS 49 1HE LYS 49 -9.302 7.699 -6.574 843 1HZ LYS 49 3HZ LYS 49 -8.708 10.554 -5.950 844 2HZ LYS 49 2HZ LYS 49 -7.795 9.561 -6.983 845 3HZ LYS 49 1HZ LYS 49 -9.390 9.978 -7.395 846 H LYS 50 H LYS 50 -14.247 7.039 -2.095 847 HA LYS 50 HA LYS 50 -16.421 8.818 -1.484 848 1HB LYS 50 2HB LYS 50 -16.058 5.806 -1.406 849 2HB LYS 50 1HB LYS 50 -17.618 6.576 -1.114 850 1HG LYS 50 2HG LYS 50 -17.667 7.531 -3.313 851 2HG LYS 50 1HG LYS 50 -15.981 7.108 -3.604 852 1HD LYS 50 2HD LYS 50 -17.270 5.467 -4.770 853 2HD LYS 50 1HD LYS 50 -16.673 4.665 -3.318 854 1HE LYS 50 2HE LYS 50 -18.824 4.982 -2.196 855 2HE LYS 50 1HE LYS 50 -19.432 5.926 -3.569 856 1HZ LYS 50 1HZ LYS 50 -19.064 4.010 -5.009 857 2HZ LYS 50 3HZ LYS 50 -18.490 3.102 -3.693 858 3HZ LYS 50 2HZ LYS 50 -20.113 3.601 -3.737 859 H LEU 51 H LEU 51 -14.568 6.551 0.578 860 HA LEU 51 HA LEU 51 -16.094 6.884 2.990 861 1HB LEU 51 2HB LEU 51 -14.560 5.024 2.596 862 2HB LEU 51 1HB LEU 51 -13.197 6.126 2.461 863 HG LEU 51 HG LEU 51 -13.430 6.765 4.809 864 1HD1 LEU 51 2HD1 LEU 51 -15.856 4.938 4.756 865 2HD1 LEU 51 1HD1 LEU 51 -15.116 5.541 6.238 866 3HD1 LEU 51 3HD1 LEU 51 -15.836 6.670 5.093 867 1HD2 LEU 51 3HD2 LEU 51 -12.467 4.407 3.916 868 2HD2 LEU 51 2HD2 LEU 51 -12.427 4.874 5.612 869 3HD2 LEU 51 1HD2 LEU 51 -13.702 3.809 5.024 870 H ASN 52 H ASN 52 -13.293 8.698 1.684 871 HA ASN 52 HA ASN 52 -12.670 10.246 3.982 872 1HB ASN 52 2HB ASN 52 -11.153 11.077 2.518 873 2HB ASN 52 1HB ASN 52 -11.798 9.932 1.374 874 1HD2 ASN 52 1HD2 ASN 52 -10.627 12.791 1.133 875 2HD2 ASN 52 2HD2 ASN 52 -11.755 13.619 0.180 876 H ASP 53 H ASP 53 -15.240 10.632 1.544 877 HA ASP 53 HA ASP 53 -16.087 13.287 2.225 878 1HB ASP 53 2HB ASP 53 -16.578 11.905 0.147 879 2HB ASP 53 1HB ASP 53 -17.753 11.013 1.112 880 H ALA 54 H ALA 54 -16.961 10.071 3.497 881 HA ALA 54 HA ALA 54 -19.300 10.809 4.988 882 1HB ALA 54 1HB ALA 54 -18.269 8.527 4.312 883 2HB ALA 54 3HB ALA 54 -17.299 8.690 5.777 884 3HB ALA 54 2HB ALA 54 -19.060 8.631 5.888 885 H GLN 55 H GLN 55 -15.841 10.971 5.775 886 HA GLN 55 HA GLN 55 -16.331 11.794 8.577 887 1HB GLN 55 2HB GLN 55 -13.954 11.241 6.790 888 2HB GLN 55 1HB GLN 55 -13.743 11.852 8.420 889 1HG GLN 55 2HG GLN 55 -14.834 9.927 9.377 890 2HG GLN 55 1HG GLN 55 -15.340 9.361 7.780 891 1HE2 GLN 55 1HE2 GLN 55 -13.186 9.434 6.217 892 2HE2 GLN 55 2HE2 GLN 55 -11.898 8.535 6.863 893 H ALA 56 H ALA 56 -15.165 13.203 5.503 894 HA ALA 56 HA ALA 56 -15.643 15.956 6.567 895 1HB ALA 56 1HB ALA 56 -13.375 15.907 6.957 896 2HB ALA 56 2HB ALA 56 -13.308 16.270 5.231 897 3HB ALA 56 3HB ALA 56 -13.115 14.609 5.794 898 HA PRO 57 HA PRO 57 -17.235 16.505 2.446 899 1HB PRO 57 2HB PRO 57 -16.838 19.188 2.063 900 2HB PRO 57 1HB PRO 57 -18.108 18.539 3.119 901 1HG PRO 57 2HG PRO 57 -15.423 19.612 3.827 902 2HG PRO 57 1HG PRO 57 -16.981 19.862 4.632 903 1HD PRO 57 1HD PRO 57 -15.118 18.129 5.558 904 2HD PRO 57 2HD PRO 57 -16.865 17.860 5.766 905 H LYS 58 H LYS 58 -16.400 16.373 0.357 906 HA LYS 58 HA LYS 58 -13.533 16.190 -0.044 907 1HB LYS 58 2HB LYS 58 -15.955 16.174 -1.864 908 2HB LYS 58 1HB LYS 58 -14.319 15.990 -2.492 909 1HG LYS 58 2HG LYS 58 -13.982 14.032 -1.003 910 2HG LYS 58 1HG LYS 58 -15.641 14.199 -0.430 911 1HD LYS 58 2HD LYS 58 -16.434 13.939 -2.793 912 2HD LYS 58 1HD LYS 58 -14.766 13.639 -3.281 913 1HE LYS 58 2HE LYS 58 -15.134 11.869 -1.154 914 2HE LYS 58 1HE LYS 58 -16.680 11.810 -2.019 915 1HZ LYS 58 3HZ LYS 58 -15.399 11.584 -4.110 916 2HZ LYS 58 2HZ LYS 58 -13.967 11.471 -3.196 917 3HZ LYS 58 1HZ LYS 58 -15.168 10.278 -3.051 No H/Q in entry = 917 Start of MODEL 18 1 H1 VAL 1 3H VAL 1 -5.306 -17.505 10.838 2 H2 VAL 1 2H VAL 1 -5.196 -18.461 12.237 3 H3 VAL 1 1H VAL 1 -6.713 -18.121 11.552 4 HA VAL 1 HA VAL 1 -6.621 -15.844 12.179 5 HB VAL 1 HB VAL 1 -5.666 -17.789 14.320 6 1HG1 VAL 1 1HG1 VAL 1 -6.755 -14.972 14.603 7 2HG1 VAL 1 3HG1 VAL 1 -6.716 -16.135 15.928 8 3HG1 VAL 1 2HG1 VAL 1 -5.210 -15.587 15.194 9 1HG2 VAL 1 3HG2 VAL 1 -8.379 -16.789 13.407 10 2HG2 VAL 1 2HG2 VAL 1 -7.791 -18.452 13.417 11 3HG2 VAL 1 1HG2 VAL 1 -8.143 -17.633 14.937 12 H ASP 2 H ASP 2 -3.626 -17.349 13.526 13 HA ASP 2 HA ASP 2 -2.235 -14.732 13.406 14 1HB ASP 2 2HB ASP 2 -1.456 -17.486 14.438 15 2HB ASP 2 1HB ASP 2 -0.476 -16.033 14.633 16 H ASN 3 H ASN 3 -0.841 -14.189 11.783 17 HA ASN 3 HA ASN 3 0.436 -16.324 10.130 18 1HB ASN 3 2HB ASN 3 -0.278 -15.084 8.075 19 2HB ASN 3 1HB ASN 3 -1.641 -15.714 8.992 20 1HD2 ASN 3 1HD2 ASN 3 -3.102 -14.168 9.982 21 2HD2 ASN 3 2HD2 ASN 3 -2.972 -12.497 9.711 22 H LYS 4 H LYS 4 2.448 -15.685 9.211 23 HA LYS 4 HA LYS 4 3.603 -13.184 10.358 24 1HB LYS 4 2HB LYS 4 4.712 -15.311 10.860 25 2HB LYS 4 1HB LYS 4 4.838 -15.689 9.144 26 1HG LYS 4 2HG LYS 4 6.282 -13.684 8.826 27 2HG LYS 4 1HG LYS 4 6.187 -13.362 10.560 28 1HD LYS 4 2HD LYS 4 7.214 -15.566 11.016 29 2HD LYS 4 1HD LYS 4 7.320 -15.869 9.282 30 1HE LYS 4 2HE LYS 4 8.701 -13.733 9.098 31 2HE LYS 4 1HE LYS 4 8.771 -13.728 10.870 32 1HZ LYS 4 2HZ LYS 4 9.575 -16.012 9.134 33 2HZ LYS 4 1HZ LYS 4 10.651 -14.934 9.888 34 3HZ LYS 4 3HZ LYS 4 9.682 -15.956 10.830 35 H PHE 5 H PHE 5 4.549 -14.874 7.340 36 HA PHE 5 HA PHE 5 5.174 -12.503 5.932 37 1HB PHE 5 2HB PHE 5 4.562 -15.326 5.044 38 2HB PHE 5 1HB PHE 5 5.144 -14.081 3.934 39 HD1 PHE 5 HD1 PHE 5 6.112 -16.570 6.307 40 HD2 PHE 5 HD2 PHE 5 7.291 -12.778 4.667 41 HE1 PHE 5 HE1 PHE 5 8.426 -16.937 7.112 42 HE2 PHE 5 HE2 PHE 5 9.605 -13.149 5.470 43 HZ PHE 5 HZ PHE 5 10.167 -15.226 6.697 44 H ASN 6 H ASN 6 2.058 -14.210 6.148 45 HA ASN 6 HA ASN 6 0.726 -13.128 3.890 46 1HB ASN 6 2HB ASN 6 -0.150 -14.879 5.414 47 2HB ASN 6 1HB ASN 6 -0.336 -13.675 6.684 48 1HD2 ASN 6 1HD2 ASN 6 -1.449 -14.368 3.314 49 2HD2 ASN 6 2HD2 ASN 6 -2.953 -13.608 3.504 50 H LYS 7 H LYS 7 0.649 -11.749 7.258 51 HA LYS 7 HA LYS 7 -0.382 -9.213 6.214 52 1HB LYS 7 2HB LYS 7 -1.182 -9.869 8.342 53 2HB LYS 7 1HB LYS 7 0.468 -10.126 8.962 54 1HG LYS 7 2HG LYS 7 0.876 -7.666 8.613 55 2HG LYS 7 1HG LYS 7 -0.823 -7.493 8.169 56 1HD LYS 7 2HD LYS 7 -1.542 -8.213 10.314 57 2HD LYS 7 1HD LYS 7 0.099 -8.706 10.760 58 1HE LYS 7 2HE LYS 7 -0.465 -5.831 10.001 59 2HE LYS 7 1HE LYS 7 -0.791 -6.397 11.651 60 1HZ LYS 7 2HZ LYS 7 1.485 -7.283 11.738 61 2HZ LYS 7 1HZ LYS 7 1.796 -6.652 10.189 62 3HZ LYS 7 3HZ LYS 7 1.482 -5.604 11.483 63 H GLU 8 H GLU 8 2.856 -10.448 7.000 64 HA GLU 8 HA GLU 8 4.208 -7.956 7.355 65 1HB GLU 8 2HB GLU 8 5.027 -10.628 6.202 66 2HB GLU 8 1HB GLU 8 6.144 -9.265 6.236 67 1HG GLU 8 2HG GLU 8 4.723 -10.398 8.664 68 2HG GLU 8 1HG GLU 8 6.407 -10.716 8.224 69 H GLN 9 H GLN 9 3.181 -9.712 4.436 70 HA GLN 9 HA GLN 9 4.291 -7.885 2.526 71 1HB GLN 9 2HB GLN 9 1.939 -9.790 2.447 72 2HB GLN 9 1HB GLN 9 2.544 -8.930 1.038 73 1HG GLN 9 2HG GLN 9 4.675 -10.051 1.184 74 2HG GLN 9 1HG GLN 9 4.215 -10.824 2.701 75 1HE2 GLN 9 1HE2 GLN 9 3.628 -10.822 -0.811 76 2HE2 GLN 9 2HE2 GLN 9 2.783 -12.294 -0.839 77 H GLN 10 H GLN 10 1.207 -8.163 4.240 78 HA GLN 10 HA GLN 10 -0.278 -5.985 3.079 79 1HB GLN 10 2HB GLN 10 -0.482 -7.960 5.104 80 2HB GLN 10 1HB GLN 10 -0.793 -6.431 5.876 81 1HG GLN 10 2HG GLN 10 -2.908 -6.798 5.142 82 2HG GLN 10 1HG GLN 10 -2.275 -6.119 3.652 83 1HE2 GLN 10 1HE2 GLN 10 -3.965 -7.532 2.525 84 2HE2 GLN 10 2HE2 GLN 10 -3.629 -9.178 2.287 85 H ASN 11 H ASN 11 1.701 -6.170 6.041 86 HA ASN 11 HA ASN 11 1.466 -3.392 6.766 87 1HB ASN 11 2HB ASN 11 2.099 -5.455 8.183 88 2HB ASN 11 1HB ASN 11 3.711 -5.326 7.471 89 1HD2 ASN 11 1HD2 ASN 11 5.121 -3.725 8.340 90 2HD2 ASN 11 2HD2 ASN 11 4.656 -2.612 9.534 91 H ALA 12 H ALA 12 3.980 -5.289 5.053 92 HA ALA 12 HA ALA 12 5.835 -3.129 4.637 93 1HB ALA 12 3HB ALA 12 5.256 -5.776 3.292 94 2HB ALA 12 1HB ALA 12 6.621 -5.353 4.335 95 3HB ALA 12 2HB ALA 12 6.525 -4.698 2.697 96 H PHE 13 H PHE 13 3.178 -4.469 2.656 97 HA PHE 13 HA PHE 13 3.411 -2.785 0.356 98 1HB PHE 13 2HB PHE 13 1.941 -4.729 0.371 99 2HB PHE 13 1HB PHE 13 1.077 -4.135 1.781 100 HD1 PHE 13 HD1 PHE 13 -1.104 -3.594 1.200 101 HD2 PHE 13 HD2 PHE 13 2.095 -2.506 -1.433 102 HE1 PHE 13 HE1 PHE 13 -2.725 -2.534 -0.322 103 HE2 PHE 13 HE2 PHE 13 0.471 -1.446 -2.959 104 HZ PHE 13 HZ PHE 13 -1.939 -1.464 -2.393 105 H TYR 14 H TYR 14 1.297 -2.481 3.210 106 HA TYR 14 HA TYR 14 0.219 0.076 2.786 107 1HB TYR 14 2HB TYR 14 -0.433 -1.570 4.482 108 2HB TYR 14 1HB TYR 14 1.069 -1.262 5.359 109 HD1 TYR 14 HD1 TYR 14 -2.059 0.327 4.116 110 HD2 TYR 14 HD2 TYR 14 1.319 0.656 6.748 111 HE1 TYR 14 HE1 TYR 14 -3.103 2.166 5.202 112 HE2 TYR 14 HE2 TYR 14 0.267 2.608 7.828 113 HH TYR 14 HH TYR 14 -3.019 3.485 7.268 114 H GLU 15 H GLU 15 3.130 -0.760 4.753 115 HA GLU 15 HA GLU 15 3.903 1.907 5.397 116 1HB GLU 15 2HB GLU 15 5.415 -0.700 5.119 117 2HB GLU 15 1HB GLU 15 6.165 0.776 5.721 118 1HG GLU 15 2HG GLU 15 3.601 0.184 7.026 119 2HG GLU 15 1HG GLU 15 4.811 -1.073 7.278 120 H ILE 16 H ILE 16 4.876 -0.195 2.620 121 HA ILE 16 HA ILE 16 6.732 1.587 1.379 122 HB ILE 16 HB ILE 16 4.902 -0.647 0.546 123 1HG1 ILE 16 2HG1 ILE 16 7.766 -0.403 -0.244 124 2HG1 ILE 16 1HG1 ILE 16 7.433 -0.518 1.482 125 1HG2 ILE 16 1HG2 ILE 16 6.233 1.218 -1.407 126 2HG2 ILE 16 3HG2 ILE 16 5.827 -0.448 -1.821 127 3HG2 ILE 16 2HG2 ILE 16 4.553 0.690 -1.385 128 1HD1 ILE 16 2HD1 ILE 16 5.931 -2.426 -0.197 129 2HD1 ILE 16 1HD1 ILE 16 7.700 -2.667 -0.167 130 3HD1 ILE 16 3HD1 ILE 16 6.777 -2.673 1.338 131 H LEU 17 H LEU 17 3.182 1.354 0.973 132 HA LEU 17 HA LEU 17 2.884 3.650 -0.786 133 1HB LEU 17 2HB LEU 17 0.938 2.358 1.158 134 2HB LEU 17 1HB LEU 17 0.494 3.480 -0.122 135 HG LEU 17 HG LEU 17 2.086 1.258 -1.134 136 1HD1 LEU 17 3HD1 LEU 17 0.278 0.545 0.863 137 2HD1 LEU 17 2HD1 LEU 17 -0.592 0.275 -0.656 138 3HD1 LEU 17 1HD1 LEU 17 0.960 -0.505 -0.370 139 1HD2 LEU 17 2HD2 LEU 17 0.329 2.993 -2.191 140 2HD2 LEU 17 1HD2 LEU 17 0.647 1.388 -2.885 141 3HD2 LEU 17 3HD2 LEU 17 -0.761 1.618 -1.827 142 H HIS 18 H HIS 18 2.746 3.307 2.780 143 HA HIS 18 HA HIS 18 1.996 6.135 3.171 144 1HB HIS 18 2HB HIS 18 2.450 3.730 4.945 145 2HB HIS 18 1HB HIS 18 2.162 5.329 5.626 146 HD1 HIS 18 HD1 HIS 18 -0.242 6.276 5.479 147 HD2 HIS 18 HD2 HIS 18 0.142 2.583 3.613 148 HE1 HIS 18 HE1 HIS 18 -2.576 5.434 4.887 149 H LEU 19 H LEU 19 5.068 4.678 2.691 150 HA LEU 19 HA LEU 19 6.621 6.014 4.735 151 1HB LEU 19 2HB LEU 19 7.159 4.735 2.064 152 2HB LEU 19 1HB LEU 19 8.429 5.712 2.788 153 HG LEU 19 HG LEU 19 7.056 3.405 4.210 154 1HD1 LEU 19 3HD1 LEU 19 9.641 3.542 2.637 155 2HD1 LEU 19 2HD1 LEU 19 9.283 2.253 3.788 156 3HD1 LEU 19 1HD1 LEU 19 8.270 2.465 2.363 157 1HD2 LEU 19 1HD2 LEU 19 8.241 5.313 5.535 158 2HD2 LEU 19 3HD2 LEU 19 8.678 3.645 5.919 159 3HD2 LEU 19 2HD2 LEU 19 9.729 4.624 4.895 160 HA PRO 20 HA PRO 20 6.023 10.165 3.197 161 1HB PRO 20 2HB PRO 20 7.931 11.404 4.724 162 2HB PRO 20 1HB PRO 20 6.350 10.895 5.350 163 1HG PRO 20 2HG PRO 20 8.989 9.509 5.536 164 2HG PRO 20 1HG PRO 20 7.760 9.759 6.792 165 1HD PRO 20 1HD PRO 20 7.991 7.416 5.512 166 2HD PRO 20 2HD PRO 20 6.406 8.057 5.994 167 H ASN 21 H ASN 21 9.092 8.437 2.865 168 HA ASN 21 HA ASN 21 10.090 10.593 1.037 169 1HB ASN 21 2HB ASN 21 11.452 8.399 2.597 170 2HB ASN 21 1HB ASN 21 12.300 9.502 1.521 171 1HD2 ASN 21 1HD2 ASN 21 11.962 11.926 2.101 172 2HD2 ASN 21 2HD2 ASN 21 11.831 12.314 3.747 173 H LEU 22 H LEU 22 8.517 7.592 0.849 174 HA LEU 22 HA LEU 22 10.048 6.555 -1.451 175 1HB LEU 22 2HB LEU 22 7.560 5.726 0.060 176 2HB LEU 22 1HB LEU 22 7.951 4.978 -1.481 177 HG LEU 22 HG LEU 22 9.332 4.715 1.165 178 1HD1 LEU 22 3HD1 LEU 22 8.585 2.939 -1.161 179 2HD1 LEU 22 2HD1 LEU 22 9.642 2.372 0.138 180 3HD1 LEU 22 1HD1 LEU 22 7.985 2.870 0.496 181 1HD2 LEU 22 2HD2 LEU 22 10.719 4.443 -1.519 182 2HD2 LEU 22 1HD2 LEU 22 11.140 5.589 -0.224 183 3HD2 LEU 22 3HD2 LEU 22 11.368 3.851 0.014 184 H ASN 23 H ASN 23 9.403 6.725 -3.573 185 HA ASN 23 HA ASN 23 7.062 8.515 -4.127 186 1HB ASN 23 2HB ASN 23 8.415 8.766 -6.403 187 2HB ASN 23 1HB ASN 23 8.834 9.719 -4.995 188 1HD2 ASN 23 1HD2 ASN 23 9.933 7.133 -7.114 189 2HD2 ASN 23 2HD2 ASN 23 11.483 6.996 -6.445 190 H GLU 24 H GLU 24 6.520 7.976 -6.729 191 HA GLU 24 HA GLU 24 5.152 5.456 -6.601 192 1HB GLU 24 2HB GLU 24 4.503 5.992 -8.894 193 2HB GLU 24 1HB GLU 24 4.526 7.482 -7.960 194 1HG GLU 24 2HG GLU 24 6.844 7.922 -8.855 195 2HG GLU 24 1HG GLU 24 6.653 6.514 -9.897 196 H GLU 25 H GLU 25 8.317 6.311 -8.064 197 HA GLU 25 HA GLU 25 8.702 3.829 -9.483 198 1HB GLU 25 2HB GLU 25 9.977 5.983 -9.775 199 2HB GLU 25 1HB GLU 25 10.773 5.672 -8.235 200 1HG GLU 25 2HG GLU 25 12.229 4.895 -10.019 201 2HG GLU 25 1HG GLU 25 11.602 3.491 -9.160 202 H GLN 26 H GLN 26 9.822 4.881 -6.230 203 HA GLN 26 HA GLN 26 10.978 2.311 -5.504 204 1HB GLN 26 2HB GLN 26 10.255 4.870 -4.108 205 2HB GLN 26 1HB GLN 26 10.807 3.474 -3.180 206 1HG GLN 26 2HG GLN 26 12.950 3.678 -3.911 207 2HG GLN 26 1HG GLN 26 12.452 4.039 -5.561 208 1HE2 GLN 26 1HE2 GLN 26 11.852 5.789 -2.443 209 2HE2 GLN 26 2HE2 GLN 26 12.463 7.266 -2.998 210 H ARG 27 H ARG 27 7.971 3.952 -4.433 211 HA ARG 27 HA ARG 27 6.989 1.903 -2.741 212 1HB ARG 27 2HB ARG 27 6.156 4.241 -2.906 213 2HB ARG 27 1HB ARG 27 5.481 3.879 -4.492 214 1HG ARG 27 2HG ARG 27 4.217 1.975 -3.240 215 2HG ARG 27 1HG ARG 27 4.562 2.937 -1.805 216 1HD ARG 27 2HD ARG 27 3.140 3.924 -4.300 217 2HD ARG 27 1HD ARG 27 2.375 3.578 -2.741 218 HE ARG 27 HE ARG 27 3.667 5.424 -1.756 219 1HH1 ARG 27 1HH1 ARG 27 5.270 7.074 -2.187 220 2HH1 ARG 27 2HH1 ARG 27 5.188 7.866 -3.723 221 1HH2 ARG 27 1HH2 ARG 27 2.908 5.639 -5.092 222 2HH2 ARG 27 2HH2 ARG 27 3.871 7.047 -5.368 223 H ASN 28 H ASN 28 6.087 2.546 -6.186 224 HA ASN 28 HA ASN 28 4.220 0.366 -6.413 225 1HB ASN 28 2HB ASN 28 5.780 1.810 -8.559 226 2HB ASN 28 1HB ASN 28 4.308 0.900 -8.813 227 1HD2 ASN 28 1HD2 ASN 28 4.216 3.531 -9.638 228 2HD2 ASN 28 2HD2 ASN 28 3.298 4.467 -8.562 229 H ALA 29 H ALA 29 7.691 0.628 -7.252 230 HA ALA 29 HA ALA 29 8.010 -1.951 -8.498 231 1HB ALA 29 1HB ALA 29 9.585 0.091 -8.258 232 2HB ALA 29 2HB ALA 29 10.307 -1.519 -8.181 233 3HB ALA 29 3HB ALA 29 10.012 -0.612 -6.692 234 H PHE 30 H PHE 30 8.093 -0.846 -5.123 235 HA PHE 30 HA PHE 30 8.952 -3.273 -3.888 236 1HB PHE 30 2HB PHE 30 7.419 -0.811 -3.095 237 2HB PHE 30 1HB PHE 30 7.559 -2.150 -1.959 238 HD1 PHE 30 HD1 PHE 30 8.788 0.681 -1.692 239 HD2 PHE 30 HD2 PHE 30 10.365 -3.040 -3.134 240 HE1 PHE 30 HE1 PHE 30 11.069 1.371 -1.022 241 HE2 PHE 30 HE2 PHE 30 12.614 -2.356 -2.469 242 HZ PHE 30 HZ PHE 30 12.969 -0.198 -1.408 243 H ILE 31 H ILE 31 5.741 -2.028 -4.666 244 HA ILE 31 HA ILE 31 4.246 -4.226 -3.546 245 HB ILE 31 HB ILE 31 3.726 -2.174 -5.720 246 1HG1 ILE 31 2HG1 ILE 31 2.617 -2.288 -2.949 247 2HG1 ILE 31 1HG1 ILE 31 4.206 -1.602 -3.223 248 1HG2 ILE 31 3HG2 ILE 31 2.138 -4.456 -4.836 249 2HG2 ILE 31 2HG2 ILE 31 1.317 -2.907 -4.656 250 3HG2 ILE 31 1HG2 ILE 31 1.919 -3.403 -6.233 251 1HD1 ILE 31 3HD1 ILE 31 1.739 -0.720 -4.731 252 2HD1 ILE 31 2HD1 ILE 31 2.299 0.043 -3.223 253 3HD1 ILE 31 1HD1 ILE 31 3.331 0.083 -4.656 254 H GLN 32 H GLN 32 6.030 -3.806 -6.627 255 HA GLN 32 HA GLN 32 4.886 -6.149 -7.947 256 1HB GLN 32 2HB GLN 32 7.480 -4.602 -8.334 257 2HB GLN 32 1HB GLN 32 6.882 -5.831 -9.445 258 1HG GLN 32 2HG GLN 32 4.770 -3.941 -8.902 259 2HG GLN 32 1HG GLN 32 6.218 -3.069 -9.401 260 1HE2 GLN 32 1HE2 GLN 32 7.260 -3.865 -11.511 261 2HE2 GLN 32 2HE2 GLN 32 6.238 -4.514 -12.701 262 H SER 33 H SER 33 7.928 -5.538 -6.128 263 HA SER 33 HA SER 33 8.857 -8.296 -6.130 264 1HB SER 33 2HB SER 33 10.423 -7.336 -4.391 265 2HB SER 33 1HB SER 33 10.417 -6.498 -5.938 266 HG SER 33 HG SER 33 10.106 -4.852 -4.620 267 H LEU 34 H LEU 34 6.799 -6.411 -4.012 268 HA LEU 34 HA LEU 34 6.859 -8.225 -1.729 269 1HB LEU 34 2HB LEU 34 6.581 -5.752 -1.696 270 2HB LEU 34 1HB LEU 34 5.047 -5.925 -2.534 271 HG LEU 34 HG LEU 34 4.304 -7.366 -0.556 272 1HD1 LEU 34 1HD1 LEU 34 6.858 -6.188 0.522 273 2HD1 LEU 34 3HD1 LEU 34 5.549 -6.764 1.556 274 3HD1 LEU 34 2HD1 LEU 34 6.377 -7.884 0.471 275 1HD2 LEU 34 3HD2 LEU 34 3.861 -4.848 -1.029 276 2HD2 LEU 34 2HD2 LEU 34 3.556 -5.466 0.589 277 3HD2 LEU 34 1HD2 LEU 34 5.031 -4.565 0.259 278 H LYS 35 H LYS 35 4.421 -7.503 -4.299 279 HA LYS 35 HA LYS 35 2.438 -9.370 -3.333 280 1HB LYS 35 2HB LYS 35 2.926 -7.706 -5.754 281 2HB LYS 35 1HB LYS 35 1.836 -9.043 -5.972 282 1HG LYS 35 2HG LYS 35 0.980 -7.979 -3.591 283 2HG LYS 35 1HG LYS 35 1.401 -6.563 -4.557 284 1HD LYS 35 2HD LYS 35 -0.192 -7.009 -6.160 285 2HD LYS 35 1HD LYS 35 -0.154 -8.748 -5.876 286 1HE LYS 35 2HE LYS 35 -1.055 -7.227 -3.522 287 2HE LYS 35 1HE LYS 35 -2.119 -7.040 -4.925 288 1HZ LYS 35 1HZ LYS 35 -1.108 -9.642 -3.885 289 2HZ LYS 35 3HZ LYS 35 -2.666 -9.030 -3.614 290 3HZ LYS 35 2HZ LYS 35 -2.179 -9.431 -5.190 291 H ASP 36 H ASP 36 5.118 -9.708 -5.673 292 HA ASP 36 HA ASP 36 4.355 -12.476 -6.350 293 1HB ASP 36 2HB ASP 36 6.614 -10.605 -7.098 294 2HB ASP 36 1HB ASP 36 6.552 -12.275 -7.664 295 H ASP 37 H ASP 37 6.761 -10.892 -4.209 296 HA ASP 37 HA ASP 37 7.692 -13.628 -3.375 297 1HB ASP 37 2HB ASP 37 9.256 -11.884 -4.530 298 2HB ASP 37 1HB ASP 37 9.245 -11.077 -2.964 299 HA PRO 38 HA PRO 38 5.501 -12.132 0.351 300 1HB PRO 38 2HB PRO 38 5.183 -14.620 1.442 301 2HB PRO 38 1HB PRO 38 4.109 -13.965 0.192 302 1HG PRO 38 2HG PRO 38 6.405 -15.842 -0.104 303 2HG PRO 38 1HG PRO 38 4.795 -15.904 -0.841 304 1HD PRO 38 1HD PRO 38 6.938 -15.011 -2.191 305 2HD PRO 38 2HD PRO 38 5.312 -14.334 -2.434 306 H SER 39 H SER 39 8.206 -14.494 0.264 307 HA SER 39 HA SER 39 8.965 -14.302 3.026 308 1HB SER 39 2HB SER 39 10.606 -14.938 0.552 309 2HB SER 39 1HB SER 39 11.081 -15.308 2.206 310 HG SER 39 HG SER 39 9.336 -16.596 0.546 311 H GLN 40 H GLN 40 10.017 -12.351 0.201 312 HA GLN 40 HA GLN 40 11.952 -10.846 1.842 313 1HB GLN 40 2HB GLN 40 11.959 -11.507 -0.727 314 2HB GLN 40 1HB GLN 40 11.008 -10.029 -0.898 315 1HG GLN 40 2HG GLN 40 13.228 -9.287 -1.176 316 2HG GLN 40 1HG GLN 40 12.877 -8.908 0.509 317 1HE2 GLN 40 1HE2 GLN 40 14.871 -10.876 -1.604 318 2HE2 GLN 40 2HE2 GLN 40 15.760 -11.633 -0.373 319 H SER 41 H SER 41 8.604 -10.700 1.780 320 HA SER 41 HA SER 41 7.958 -8.008 1.251 321 1HB SER 41 2HB SER 41 5.956 -8.491 2.569 322 2HB SER 41 1HB SER 41 6.396 -9.922 1.651 323 HG SER 41 HG SER 41 6.705 -10.942 3.464 324 H ALA 42 H ALA 42 9.001 -9.381 4.462 325 HA ALA 42 HA ALA 42 8.810 -6.847 5.866 326 1HB ALA 42 2HB ALA 42 10.690 -9.186 6.217 327 2HB ALA 42 3HB ALA 42 9.093 -9.033 6.964 328 3HB ALA 42 1HB ALA 42 10.391 -7.923 7.412 329 H ASN 43 H ASN 43 11.503 -8.496 4.169 330 HA ASN 43 HA ASN 43 13.568 -6.562 4.515 331 1HB ASN 43 2HB ASN 43 12.913 -8.831 2.782 332 2HB ASN 43 1HB ASN 43 13.830 -7.576 1.934 333 1HD2 ASN 43 1HD2 ASN 43 13.988 -8.881 5.329 334 2HD2 ASN 43 2HD2 ASN 43 15.655 -9.189 5.277 335 H LEU 44 H LEU 44 10.882 -6.820 2.203 336 HA LEU 44 HA LEU 44 11.639 -4.669 0.463 337 1HB LEU 44 2HB LEU 44 9.101 -6.120 1.118 338 2HB LEU 44 1HB LEU 44 9.113 -4.775 -0.026 339 HG LEU 44 HG LEU 44 10.956 -7.155 -0.181 340 1HD1 LEU 44 1HD1 LEU 44 8.301 -7.233 -0.586 341 2HD1 LEU 44 3HD1 LEU 44 8.834 -6.708 -2.184 342 3HD1 LEU 44 2HD1 LEU 44 9.447 -8.219 -1.500 343 1HD2 LEU 44 3HD2 LEU 44 10.940 -4.523 -1.356 344 2HD2 LEU 44 2HD2 LEU 44 12.079 -5.865 -1.602 345 3HD2 LEU 44 1HD2 LEU 44 10.634 -5.750 -2.626 346 H LEU 45 H LEU 45 9.574 -4.830 3.363 347 HA LEU 45 HA LEU 45 8.987 -1.969 3.218 348 1HB LEU 45 2HB LEU 45 7.555 -3.375 4.484 349 2HB LEU 45 1HB LEU 45 8.892 -4.033 5.420 350 HG LEU 45 HG LEU 45 9.254 -1.937 6.520 351 1HD1 LEU 45 3HD1 LEU 45 7.316 -0.845 4.458 352 2HD1 LEU 45 2HD1 LEU 45 7.706 0.034 5.935 353 3HD1 LEU 45 1HD1 LEU 45 8.978 -0.320 4.766 354 1HD2 LEU 45 1HD2 LEU 45 7.280 -3.434 7.144 355 2HD2 LEU 45 3HD2 LEU 45 7.258 -1.788 7.774 356 3HD2 LEU 45 2HD2 LEU 45 6.258 -2.215 6.383 357 H ALA 46 H ALA 46 11.405 -3.997 4.928 358 HA ALA 46 HA ALA 46 12.806 -1.936 6.353 359 1HB ALA 46 2HB ALA 46 13.587 -4.531 4.988 360 2HB ALA 46 1HB ALA 46 14.770 -3.558 5.871 361 3HB ALA 46 3HB ALA 46 13.374 -4.230 6.721 362 H GLU 47 H GLU 47 13.303 -3.145 2.979 363 HA GLU 47 HA GLU 47 15.435 -1.263 2.453 364 1HB GLU 47 2HB GLU 47 15.210 -2.030 0.116 365 2HB GLU 47 1HB GLU 47 15.308 -3.376 1.237 366 1HG GLU 47 2HG GLU 47 12.798 -3.441 1.130 367 2HG GLU 47 1HG GLU 47 12.926 -2.331 -0.231 368 H ALA 48 H ALA 48 11.863 -1.267 1.968 369 HA ALA 48 HA ALA 48 11.760 1.214 0.519 370 1HB ALA 48 2HB ALA 48 10.004 -0.539 0.821 371 2HB ALA 48 1HB ALA 48 9.858 -0.042 2.515 372 3HB ALA 48 3HB ALA 48 9.424 1.076 1.214 373 H LYS 49 H LYS 49 11.845 0.375 3.992 374 HA LYS 49 HA LYS 49 11.481 3.095 4.963 375 1HB LYS 49 2HB LYS 49 11.930 0.350 5.952 376 2HB LYS 49 1HB LYS 49 12.584 1.601 6.998 377 1HG LYS 49 2HG LYS 49 10.506 2.527 7.420 378 2HG LYS 49 1HG LYS 49 9.867 2.051 5.848 379 1HD LYS 49 2HD LYS 49 8.750 0.595 7.255 380 2HD LYS 49 1HD LYS 49 10.149 -0.375 6.781 381 1HE LYS 49 2HE LYS 49 11.283 0.097 8.823 382 2HE LYS 49 1HE LYS 49 10.126 1.379 9.240 383 1HZ LYS 49 1HZ LYS 49 8.358 -0.277 9.304 384 2HZ LYS 49 3HZ LYS 49 9.458 -1.510 8.915 385 3HZ LYS 49 2HZ LYS 49 9.586 -0.696 10.399 386 H LYS 50 H LYS 50 14.116 0.923 4.187 387 HA LYS 50 HA LYS 50 16.390 2.414 5.102 388 1HB LYS 50 2HB LYS 50 16.687 0.133 4.535 389 2HB LYS 50 1HB LYS 50 15.697 0.285 3.101 390 1HG LYS 50 2HG LYS 50 17.692 1.851 2.291 391 2HG LYS 50 1HG LYS 50 18.596 0.878 3.454 392 1HD LYS 50 2HD LYS 50 16.779 -0.379 1.365 393 2HD LYS 50 1HD LYS 50 18.489 -0.041 1.052 394 1HE LYS 50 2HE LYS 50 19.075 -1.417 3.089 395 2HE LYS 50 1HE LYS 50 17.359 -1.859 3.220 396 1HZ LYS 50 2HZ LYS 50 17.450 -2.637 0.900 397 2HZ LYS 50 1HZ LYS 50 19.119 -2.307 0.856 398 3HZ LYS 50 3HZ LYS 50 18.517 -3.502 1.898 399 H LEU 51 H LEU 51 14.445 2.365 2.104 400 HA LEU 51 HA LEU 51 15.985 4.347 0.631 401 1HB LEU 51 2HB LEU 51 13.423 2.848 0.465 402 2HB LEU 51 1HB LEU 51 13.429 4.392 -0.377 403 HG LEU 51 HG LEU 51 14.986 3.697 -1.921 404 1HD1 LEU 51 3HD1 LEU 51 16.021 1.899 0.253 405 2HD1 LEU 51 2HD1 LEU 51 16.457 1.602 -1.430 406 3HD1 LEU 51 1HD1 LEU 51 16.891 3.137 -0.661 407 1HD2 LEU 51 2HD2 LEU 51 13.181 1.569 -1.048 408 2HD2 LEU 51 1HD2 LEU 51 13.488 2.193 -2.672 409 3HD2 LEU 51 3HD2 LEU 51 14.571 0.986 -1.974 410 H ASN 52 H ASN 52 13.188 4.405 2.784 411 HA ASN 52 HA ASN 52 12.330 7.075 2.465 412 1HB ASN 52 2HB ASN 52 11.191 5.144 3.616 413 2HB ASN 52 1HB ASN 52 12.306 5.357 4.962 414 1HD2 ASN 52 1HD2 ASN 52 11.977 7.169 6.384 415 2HD2 ASN 52 2HD2 ASN 52 10.610 8.168 6.272 416 H ASP 53 H ASP 53 14.753 5.686 4.708 417 HA ASP 53 HA ASP 53 15.366 8.347 5.866 418 1HB ASP 53 2HB ASP 53 16.548 5.587 6.314 419 2HB ASP 53 1HB ASP 53 16.865 7.007 7.307 420 H ALA 54 H ALA 54 17.014 5.933 3.786 421 HA ALA 54 HA ALA 54 19.571 7.250 3.652 422 1HB ALA 54 3HB ALA 54 19.920 5.738 1.749 423 2HB ALA 54 1HB ALA 54 18.181 5.459 1.630 424 3HB ALA 54 2HB ALA 54 19.073 4.885 3.040 425 H GLN 55 H GLN 55 16.702 7.415 1.499 426 HA GLN 55 HA GLN 55 17.969 9.565 -0.109 427 1HB GLN 55 2HB GLN 55 15.352 8.059 -0.329 428 2HB GLN 55 1HB GLN 55 15.927 9.239 -1.505 429 1HG GLN 55 2HG GLN 55 17.934 7.879 -1.930 430 2HG GLN 55 1HG GLN 55 17.414 6.706 -0.717 431 1HE2 GLN 55 1HE2 GLN 55 14.961 5.996 -1.162 432 2HE2 GLN 55 2HE2 GLN 55 14.656 5.548 -2.767 433 H ALA 56 H ALA 56 16.561 9.671 2.835 434 HA ALA 56 HA ALA 56 14.445 11.647 2.528 435 1HB ALA 56 2HB ALA 56 15.691 11.743 5.103 436 2HB ALA 56 3HB ALA 56 15.651 10.055 4.585 437 3HB ALA 56 1HB ALA 56 14.158 10.989 4.668 438 HA PRO 57 HA PRO 57 16.809 15.322 2.305 439 1HB PRO 57 2HB PRO 57 15.199 17.088 3.636 440 2HB PRO 57 1HB PRO 57 14.828 16.459 2.019 441 1HG PRO 57 2HG PRO 57 13.747 15.620 4.660 442 2HG PRO 57 1HG PRO 57 12.919 15.800 3.104 443 1HD PRO 57 1HD PRO 57 13.704 13.400 4.124 444 2HD PRO 57 2HD PRO 57 13.546 13.725 2.383 445 H LYS 58 H LYS 58 15.727 14.293 5.534 446 HA LYS 58 HA LYS 58 18.246 15.427 6.691 447 1HB LYS 58 2HB LYS 58 15.458 16.112 7.219 448 2HB LYS 58 1HB LYS 58 16.268 15.562 8.686 449 1HG LYS 58 2HG LYS 58 17.602 17.563 6.866 450 2HG LYS 58 1HG LYS 58 16.410 18.090 8.055 451 1HD LYS 58 2HD LYS 58 18.146 18.163 9.511 452 2HD LYS 58 1HD LYS 58 18.008 16.406 9.549 453 1HE LYS 58 2HE LYS 58 19.523 17.070 7.213 454 2HE LYS 58 1HE LYS 58 20.205 17.987 8.568 455 1HZ LYS 58 2HZ LYS 58 19.584 15.073 8.601 456 2HZ LYS 58 1HZ LYS 58 21.136 15.746 8.461 457 3HZ LYS 58 3HZ LYS 58 20.249 15.963 9.891 458 H1 VAL 1 2H VAL 1 -1.273 -16.487 -18.417 459 H2 VAL 1 1H VAL 1 -1.836 -16.254 -20.004 460 H3 VAL 1 3H VAL 1 -0.243 -15.839 -19.601 461 HA VAL 1 HA VAL 1 -1.543 -13.831 -19.746 462 HB VAL 1 HB VAL 1 -3.661 -15.213 -19.312 463 1HG1 VAL 1 2HG1 VAL 1 -2.857 -16.177 -17.126 464 2HG1 VAL 1 1HG1 VAL 1 -3.048 -14.577 -16.410 465 3HG1 VAL 1 3HG1 VAL 1 -4.454 -15.437 -17.037 466 1HG2 VAL 1 3HG2 VAL 1 -3.552 -12.694 -19.484 467 2HG2 VAL 1 2HG2 VAL 1 -4.895 -13.300 -18.514 468 3HG2 VAL 1 1HG2 VAL 1 -3.463 -12.640 -17.722 469 H ASP 2 H ASP 2 -1.220 -12.049 -18.227 470 HA ASP 2 HA ASP 2 0.906 -12.553 -16.266 471 1HB ASP 2 2HB ASP 2 0.850 -10.594 -17.800 472 2HB ASP 2 1HB ASP 2 -0.625 -10.033 -17.013 473 H ASN 3 H ASN 3 0.557 -12.956 -14.125 474 HA ASN 3 HA ASN 3 -2.118 -12.292 -12.955 475 1HB ASN 3 2HB ASN 3 -1.740 -14.211 -11.481 476 2HB ASN 3 1HB ASN 3 -1.479 -14.708 -13.148 477 1HD2 ASN 3 1HD2 ASN 3 -0.038 -14.670 -10.030 478 2HD2 ASN 3 2HD2 ASN 3 1.537 -15.088 -10.502 479 H LYS 4 H LYS 4 -0.025 -10.329 -13.125 480 HA LYS 4 HA LYS 4 0.894 -10.051 -10.284 481 1HB LYS 4 2HB LYS 4 1.835 -9.058 -12.969 482 2HB LYS 4 1HB LYS 4 2.258 -8.146 -11.525 483 1HG LYS 4 2HG LYS 4 4.050 -9.598 -11.584 484 2HG LYS 4 1HG LYS 4 2.930 -10.568 -10.629 485 1HD LYS 4 2HD LYS 4 2.184 -11.726 -12.687 486 2HD LYS 4 1HD LYS 4 3.321 -10.766 -13.630 487 1HE LYS 4 2HE LYS 4 4.713 -12.562 -13.264 488 2HE LYS 4 1HE LYS 4 4.993 -11.761 -11.706 489 1HZ LYS 4 1HZ LYS 4 3.062 -12.992 -10.815 490 2HZ LYS 4 3HZ LYS 4 2.931 -13.831 -12.284 491 3HZ LYS 4 2HZ LYS 4 4.311 -14.026 -11.316 492 H PHE 5 H PHE 5 -0.622 -8.931 -9.127 493 HA PHE 5 HA PHE 5 -2.145 -6.717 -10.414 494 1HB PHE 5 2HB PHE 5 -2.493 -8.374 -7.889 495 2HB PHE 5 1HB PHE 5 -3.594 -7.112 -8.398 496 HD1 PHE 5 HD1 PHE 5 -2.535 -10.544 -8.893 497 HD2 PHE 5 HD2 PHE 5 -4.847 -7.346 -10.586 498 HE1 PHE 5 HE1 PHE 5 -3.682 -12.158 -10.384 499 HE2 PHE 5 HE2 PHE 5 -5.989 -8.956 -12.072 500 HZ PHE 5 HZ PHE 5 -5.411 -11.365 -11.973 501 H ASN 6 H ASN 6 0.483 -6.031 -9.922 502 HA ASN 6 HA ASN 6 0.646 -4.732 -7.253 503 1HB ASN 6 2HB ASN 6 2.873 -4.683 -9.251 504 2HB ASN 6 1HB ASN 6 2.953 -4.848 -7.506 505 1HD2 ASN 6 1HD2 ASN 6 3.919 -6.586 -9.987 506 2HD2 ASN 6 2HD2 ASN 6 3.476 -8.155 -9.521 507 H LYS 7 H LYS 7 0.512 -3.881 -10.659 508 HA LYS 7 HA LYS 7 1.308 -1.123 -10.463 509 1HB LYS 7 2HB LYS 7 1.120 -2.570 -12.536 510 2HB LYS 7 1HB LYS 7 -0.634 -2.440 -12.384 511 1HG LYS 7 2HG LYS 7 -0.436 0.041 -12.543 512 2HG LYS 7 1HG LYS 7 1.305 -0.133 -12.779 513 1HD LYS 7 2HD LYS 7 0.858 -1.530 -14.796 514 2HD LYS 7 1HD LYS 7 -0.870 -1.238 -14.584 515 1HE LYS 7 2HE LYS 7 0.950 1.150 -14.676 516 2HE LYS 7 1HE LYS 7 0.575 0.321 -16.197 517 1HZ LYS 7 3HZ LYS 7 -1.433 1.259 -14.207 518 2HZ LYS 7 2HZ LYS 7 -1.090 2.014 -15.688 519 3HZ LYS 7 1HZ LYS 7 -1.783 0.464 -15.665 520 H GLU 8 H GLU 8 -1.758 -2.768 -10.164 521 HA GLU 8 HA GLU 8 -3.363 -0.397 -9.949 522 1HB GLU 8 2HB GLU 8 -5.110 -1.997 -9.308 523 2HB GLU 8 1HB GLU 8 -4.182 -2.576 -10.692 524 1HG GLU 8 2HG GLU 8 -2.730 -3.740 -8.799 525 2HG GLU 8 1HG GLU 8 -4.243 -3.609 -7.889 526 H LEU 9 H LEU 9 -1.501 -2.224 -7.550 527 HA LEU 9 HA LEU 9 -2.845 -0.935 -5.290 528 1HB LEU 9 2HB LEU 9 -0.058 -2.084 -5.222 529 2HB LEU 9 1HB LEU 9 -1.191 -1.902 -3.934 530 HG LEU 9 HG LEU 9 -1.828 -3.717 -6.230 531 1HD1 LEU 9 1HD1 LEU 9 0.200 -4.024 -4.145 532 2HD1 LEU 9 3HD1 LEU 9 -1.038 -5.278 -4.022 533 3HD1 LEU 9 2HD1 LEU 9 -0.127 -5.087 -5.523 534 1HD2 LEU 9 2HD2 LEU 9 -2.760 -3.459 -3.342 535 2HD2 LEU 9 1HD2 LEU 9 -3.698 -3.034 -4.778 536 3HD2 LEU 9 3HD2 LEU 9 -3.290 -4.726 -4.444 537 H SER 10 H SER 10 -0.290 -0.157 -7.520 538 HA SER 10 HA SER 10 1.121 1.828 -5.991 539 1HB SER 10 2HB SER 10 2.285 1.419 -7.907 540 2HB SER 10 1HB SER 10 0.889 0.762 -8.712 541 HG SER 10 HG SER 10 0.717 2.578 -9.749 542 H VAL 11 H VAL 11 -1.576 2.000 -8.347 543 HA VAL 11 HA VAL 11 -2.151 4.841 -7.843 544 HB VAL 11 HB VAL 11 -3.755 2.737 -9.348 545 1HG1 VAL 11 1HG1 VAL 11 -3.585 5.755 -9.510 546 2HG1 VAL 11 3HG1 VAL 11 -4.374 4.760 -10.734 547 3HG1 VAL 11 2HG1 VAL 11 -4.990 4.780 -9.083 548 1HG2 VAL 11 1HG2 VAL 11 -1.395 4.412 -10.274 549 2HG2 VAL 11 3HG2 VAL 11 -1.481 2.647 -10.204 550 3HG2 VAL 11 2HG2 VAL 11 -2.471 3.539 -11.366 551 H ALA 12 H ALA 12 -3.983 1.779 -7.364 552 HA ALA 12 HA ALA 12 -6.148 2.903 -5.878 553 1HB ALA 12 1HB ALA 12 -5.970 0.641 -7.066 554 2HB ALA 12 2HB ALA 12 -6.755 0.616 -5.489 555 3HB ALA 12 3HB ALA 12 -5.078 0.074 -5.647 556 H GLY 13 H GLY 13 -3.246 1.242 -4.776 557 1HA GLY 13 1HA GLY 13 -2.199 1.115 -2.723 558 2HA GLY 13 2HA GLY 13 -3.790 1.326 -1.998 559 H ARG 14 H ARG 14 -1.497 3.376 -3.840 560 HA ARG 14 HA ARG 14 -0.899 5.044 -1.637 561 1HB ARG 14 2HB ARG 14 -0.078 4.804 -4.241 562 2HB ARG 14 1HB ARG 14 -0.819 6.399 -4.256 563 1HG ARG 14 2HG ARG 14 1.342 5.400 -2.383 564 2HG ARG 14 1HG ARG 14 1.527 6.614 -3.644 565 1HD ARG 14 2HD ARG 14 0.154 8.188 -2.433 566 2HD ARG 14 1HD ARG 14 -0.325 6.939 -1.266 567 HE ARG 14 HE ARG 14 2.211 6.768 -0.777 568 1HH1 ARG 14 1HH1 ARG 14 1.219 8.811 0.946 569 2HH1 ARG 14 2HH1 ARG 14 2.065 10.247 0.479 570 1HH2 ARG 14 1HH2 ARG 14 3.052 8.974 -2.612 571 2HH2 ARG 14 2HH2 ARG 14 3.112 10.338 -1.551 572 H GLU 15 H GLU 15 -3.521 5.528 -4.094 573 HA GLU 15 HA GLU 15 -4.294 8.150 -3.128 574 1HB GLU 15 2HB GLU 15 -5.738 5.952 -4.634 575 2HB GLU 15 1HB GLU 15 -6.477 7.518 -4.296 576 1HG GLU 15 2HG GLU 15 -4.491 8.609 -5.410 577 2HG GLU 15 1HG GLU 15 -3.952 7.002 -5.890 578 H ILE 16 H ILE 16 -5.315 4.846 -2.263 579 HA ILE 16 HA ILE 16 -7.303 5.560 -0.288 580 HB ILE 16 HB ILE 16 -5.635 3.083 -0.862 581 1HG1 ILE 16 2HG1 ILE 16 -8.593 3.575 -1.294 582 2HG1 ILE 16 1HG1 ILE 16 -7.398 3.994 -2.510 583 1HG2 ILE 16 1HG2 ILE 16 -7.825 3.546 1.171 584 2HG2 ILE 16 3HG2 ILE 16 -7.522 1.941 0.491 585 3HG2 ILE 16 2HG2 ILE 16 -6.256 2.772 1.403 586 1HD1 ILE 16 1HD1 ILE 16 -6.677 1.423 -1.928 587 2HD1 ILE 16 3HD1 ILE 16 -8.425 1.352 -1.702 588 3HD1 ILE 16 2HD1 ILE 16 -7.758 1.888 -3.246 589 H VAL 17 H VAL 17 -3.805 5.312 -0.270 590 HA VAL 17 HA VAL 17 -3.330 5.146 2.574 591 HB VAL 17 HB VAL 17 -1.752 5.873 0.105 592 1HG1 VAL 17 1HG1 VAL 17 -1.035 6.620 2.852 593 2HG1 VAL 17 3HG1 VAL 17 0.196 5.676 2.014 594 3HG1 VAL 17 2HG1 VAL 17 -0.379 7.190 1.321 595 1HG2 VAL 17 1HG2 VAL 17 -2.143 3.556 1.825 596 2HG2 VAL 17 3HG2 VAL 17 -1.496 3.657 0.175 597 3HG2 VAL 17 2HG2 VAL 17 -0.436 3.928 1.554 598 H THR 18 H THR 18 -3.666 7.909 0.287 599 HA THR 18 HA THR 18 -3.835 9.696 2.672 600 HB THR 18 HB THR 18 -1.521 9.566 1.771 601 HG1 THR 18 HG1 THR 18 -1.761 11.476 2.652 602 1HG2 THR 18 2HG2 THR 18 -2.774 10.723 -0.738 603 2HG2 THR 18 1HG2 THR 18 -1.042 10.633 -0.430 604 3HG2 THR 18 3HG2 THR 18 -1.986 9.153 -0.587 605 H LEU 19 H LEU 19 -6.141 8.869 0.948 606 HA LEU 19 HA LEU 19 -6.735 10.961 -0.966 607 1HB LEU 19 2HB LEU 19 -9.126 10.217 -0.550 608 2HB LEU 19 1HB LEU 19 -8.006 8.956 -1.032 609 HG LEU 19 HG LEU 19 -8.090 9.269 1.865 610 1HD1 LEU 19 1HD1 LEU 19 -10.622 8.955 0.287 611 2HD1 LEU 19 3HD1 LEU 19 -10.449 8.143 1.840 612 3HD1 LEU 19 2HD1 LEU 19 -10.326 9.901 1.749 613 1HD2 LEU 19 1HD2 LEU 19 -8.372 7.106 -0.212 614 2HD2 LEU 19 3HD2 LEU 19 -7.182 7.251 1.078 615 3HD2 LEU 19 2HD2 LEU 19 -8.835 6.762 1.455 616 HA PRO 20 HA PRO 20 -7.532 14.626 1.160 617 1HB PRO 20 2HB PRO 20 -10.078 15.415 0.470 618 2HB PRO 20 1HB PRO 20 -8.654 15.535 -0.584 619 1HG PRO 20 2HG PRO 20 -10.734 13.387 -0.469 620 2HG PRO 20 1HG PRO 20 -10.070 14.231 -1.883 621 1HD PRO 20 1HD PRO 20 -9.189 11.817 -1.265 622 2HD PRO 20 2HD PRO 20 -8.038 13.071 -1.781 623 H ASN 21 H ASN 21 -10.238 12.336 1.947 624 HA ASN 21 HA ASN 21 -10.402 13.804 4.588 625 1HB ASN 21 2HB ASN 21 -12.574 12.637 2.861 626 2HB ASN 21 1HB ASN 21 -12.850 13.249 4.479 627 1HD2 ASN 21 1HD2 ASN 21 -13.906 14.264 1.847 628 2HD2 ASN 21 2HD2 ASN 21 -13.438 15.895 1.779 629 H LEU 22 H LEU 22 -9.049 11.041 3.862 630 HA LEU 22 HA LEU 22 -10.754 9.249 5.533 631 1HB LEU 22 2HB LEU 22 -9.425 8.726 3.311 632 2HB LEU 22 1HB LEU 22 -8.114 8.448 4.443 633 HG LEU 22 HG LEU 22 -9.973 7.039 5.708 634 1HD1 LEU 22 3HD1 LEU 22 -11.624 7.743 3.824 635 2HD1 LEU 22 2HD1 LEU 22 -10.780 6.537 2.849 636 3HD1 LEU 22 1HD1 LEU 22 -11.604 6.055 4.331 637 1HD2 LEU 22 3HD2 LEU 22 -8.137 6.348 3.443 638 2HD2 LEU 22 2HD2 LEU 22 -8.050 5.886 5.146 639 3HD2 LEU 22 1HD2 LEU 22 -9.207 5.092 4.079 640 H ASN 23 H ASN 23 -9.907 8.143 7.316 641 HA ASN 23 HA ASN 23 -7.766 9.616 8.811 642 1HB ASN 23 2HB ASN 23 -8.783 8.605 10.820 643 2HB ASN 23 1HB ASN 23 -9.985 9.468 9.873 644 1HD2 ASN 23 1HD2 ASN 23 -11.569 8.028 11.097 645 2HD2 ASN 23 2HD2 ASN 23 -11.854 6.461 10.513 646 H ASP 24 H ASP 24 -6.220 8.243 10.110 647 HA ASP 24 HA ASP 24 -4.819 6.433 8.500 648 1HB ASP 24 2HB ASP 24 -3.432 6.024 10.466 649 2HB ASP 24 1HB ASP 24 -3.840 7.726 10.316 650 HA PRO 25 HA PRO 25 -6.592 2.662 10.930 651 1HB PRO 25 2HB PRO 25 -9.237 2.791 11.651 652 2HB PRO 25 1HB PRO 25 -7.902 3.200 12.746 653 1HG PRO 25 2HG PRO 25 -9.658 5.000 11.151 654 2HG PRO 25 1HG PRO 25 -9.075 5.178 12.813 655 1HD PRO 25 1HD PRO 25 -7.976 6.513 10.749 656 2HD PRO 25 2HD PRO 25 -7.038 5.990 12.155 657 H GLN 26 H GLN 26 -9.014 4.551 8.992 658 HA GLN 26 HA GLN 26 -10.185 2.284 7.672 659 1HB GLN 26 2HB GLN 26 -9.909 5.220 6.976 660 2HB GLN 26 1HB GLN 26 -10.858 4.097 6.000 661 1HG GLN 26 2HG GLN 26 -12.316 3.593 7.844 662 2HG GLN 26 1HG GLN 26 -11.280 4.448 8.979 663 1HE2 GLN 26 1HE2 GLN 26 -13.801 5.323 9.085 664 2HE2 GLN 26 2HE2 GLN 26 -14.024 6.783 8.253 665 H LYS 27 H LYS 27 -7.607 4.536 6.507 666 HA LYS 27 HA LYS 27 -7.085 3.223 4.044 667 1HB LYS 27 2HB LYS 27 -4.717 4.188 4.369 668 2HB LYS 27 1HB LYS 27 -6.074 5.313 4.260 669 1HG LYS 27 2HG LYS 27 -6.047 5.258 6.855 670 2HG LYS 27 1HG LYS 27 -4.471 4.509 6.685 671 1HD LYS 27 2HD LYS 27 -4.085 6.866 6.886 672 2HD LYS 27 1HD LYS 27 -3.828 6.453 5.200 673 1HE LYS 27 2HE LYS 27 -5.622 7.675 4.479 674 2HE LYS 27 1HE LYS 27 -6.614 7.217 5.872 675 1HZ LYS 27 3HZ LYS 27 -5.222 8.673 7.263 676 2HZ LYS 27 2HZ LYS 27 -4.363 9.164 5.879 677 3HZ LYS 27 1HZ LYS 27 -6.014 9.537 6.037 678 H LYS 28 H LYS 28 -5.737 2.522 7.277 679 HA LYS 28 HA LYS 28 -3.756 0.626 6.453 680 1HB LYS 28 2HB LYS 28 -5.391 1.167 8.941 681 2HB LYS 28 1HB LYS 28 -4.530 -0.370 8.864 682 1HG LYS 28 2HG LYS 28 -2.828 1.732 7.966 683 2HG LYS 28 1HG LYS 28 -3.468 2.167 9.535 684 1HD LYS 28 2HD LYS 28 -1.519 0.939 10.030 685 2HD LYS 28 1HD LYS 28 -2.808 -0.254 10.203 686 1HE LYS 28 2HE LYS 28 -2.223 -1.360 8.243 687 2HE LYS 28 1HE LYS 28 -1.518 0.091 7.502 688 1HZ LYS 28 3HZ LYS 28 0.241 0.005 9.224 689 2HZ LYS 28 2HZ LYS 28 -0.396 -1.468 9.787 690 3HZ LYS 28 1HZ LYS 28 0.250 -1.362 8.220 691 H ALA 29 H ALA 29 -7.086 -0.075 7.734 692 HA ALA 29 HA ALA 29 -7.165 -2.845 6.994 693 1HB ALA 29 2HB ALA 29 -9.623 -2.522 7.269 694 2HB ALA 29 3HB ALA 29 -9.379 -0.776 7.257 695 3HB ALA 29 1HB ALA 29 -8.716 -1.750 8.569 696 H PHE 30 H PHE 30 -7.872 0.100 5.164 697 HA PHE 30 HA PHE 30 -9.176 -1.047 2.877 698 1HB PHE 30 2HB PHE 30 -8.129 1.481 3.809 699 2HB PHE 30 1HB PHE 30 -7.613 1.222 2.160 700 HD1 PHE 30 HD1 PHE 30 -10.325 2.191 4.277 701 HD2 PHE 30 HD2 PHE 30 -9.336 0.502 0.462 702 HE1 PHE 30 HE1 PHE 30 -12.583 2.773 3.448 703 HE2 PHE 30 HE2 PHE 30 -11.602 1.072 -0.364 704 HZ PHE 30 HZ PHE 30 -13.220 2.215 1.129 705 H ILE 31 H ILE 31 -5.778 -0.034 3.328 706 HA ILE 31 HA ILE 31 -4.845 -1.039 0.808 707 HB ILE 31 HB ILE 31 -3.673 -0.233 3.459 708 1HG1 ILE 31 2HG1 ILE 31 -4.001 0.870 0.721 709 2HG1 ILE 31 1HG1 ILE 31 -3.978 1.704 2.284 710 1HG2 ILE 31 1HG2 ILE 31 -2.367 -2.241 2.253 711 2HG2 ILE 31 3HG2 ILE 31 -1.776 -0.920 1.232 712 3HG2 ILE 31 2HG2 ILE 31 -1.507 -0.892 2.977 713 1HD1 ILE 31 3HD1 ILE 31 -1.473 0.514 1.173 714 2HD1 ILE 31 2HD1 ILE 31 -2.049 2.057 0.598 715 3HD1 ILE 31 1HD1 ILE 31 -1.677 1.840 2.322 716 H PHE 32 H PHE 32 -5.003 -2.429 4.094 717 HA PHE 32 HA PHE 32 -3.628 -4.862 3.513 718 1HB PHE 32 2HB PHE 32 -5.515 -3.848 5.628 719 2HB PHE 32 1HB PHE 32 -5.097 -5.561 5.612 720 HD1 PHE 32 HD1 PHE 32 -3.213 -2.198 5.174 721 HD2 PHE 32 HD2 PHE 32 -3.232 -6.211 6.974 722 HE1 PHE 32 HE1 PHE 32 -1.094 -1.772 6.276 723 HE2 PHE 32 HE2 PHE 32 -1.081 -5.690 7.987 724 HZ PHE 32 HZ PHE 32 -0.015 -3.543 7.615 725 H SER 33 H SER 33 -7.089 -3.895 3.036 726 HA SER 33 HA SER 33 -7.827 -6.625 2.155 727 1HB SER 33 2HB SER 33 -9.977 -5.542 1.588 728 2HB SER 33 1HB SER 33 -9.464 -5.091 3.205 729 HG SER 33 HG SER 33 -9.369 -3.105 2.573 730 H LEU 34 H LEU 34 -6.714 -3.586 0.687 731 HA LEU 34 HA LEU 34 -7.136 -4.171 -2.110 732 1HB LEU 34 2HB LEU 34 -6.654 -1.940 -1.275 733 2HB LEU 34 1HB LEU 34 -5.150 -2.462 -0.555 734 HG LEU 34 HG LEU 34 -4.477 -3.045 -2.971 735 1HD1 LEU 34 2HD1 LEU 34 -6.754 -2.810 -3.934 736 2HD1 LEU 34 1HD1 LEU 34 -6.731 -1.090 -3.528 737 3HD1 LEU 34 3HD1 LEU 34 -5.593 -1.738 -4.716 738 1HD2 LEU 34 3HD2 LEU 34 -3.772 -1.023 -1.474 739 2HD2 LEU 34 2HD2 LEU 34 -3.492 -0.906 -3.212 740 3HD2 LEU 34 1HD2 LEU 34 -4.881 -0.100 -2.491 741 H TRP 35 H TRP 35 -4.431 -4.804 0.123 742 HA TRP 35 HA TRP 35 -2.603 -5.979 -1.769 743 1HB TRP 35 2HB TRP 35 -2.096 -5.072 0.499 744 2HB TRP 35 1HB TRP 35 -2.910 -6.467 1.204 745 HD1 TRP 35 HD1 TRP 35 -1.507 -8.588 1.487 746 HE1 TRP 35 HE1 TRP 35 0.768 -9.386 0.633 747 HE3 TRP 35 HE3 TRP 35 -0.416 -4.807 -1.732 748 HZ2 TRP 35 HZ2 TRP 35 2.823 -8.501 -1.163 749 HZ3 TRP 35 HZ3 TRP 35 1.699 -4.814 -3.003 750 HH2 TRP 35 HH2 TRP 35 3.307 -6.639 -2.716 751 H ASP 36 H ASP 36 -5.037 -7.402 0.466 752 HA ASP 36 HA ASP 36 -4.453 -10.161 -0.120 753 1HB ASP 36 2HB ASP 36 -5.708 -8.991 1.865 754 2HB ASP 36 1HB ASP 36 -7.123 -9.109 0.820 755 H ASP 37 H ASP 37 -6.977 -7.897 -1.311 756 HA ASP 37 HA ASP 37 -7.331 -9.704 -3.640 757 1HB ASP 37 2HB ASP 37 -9.625 -8.266 -2.272 758 2HB ASP 37 1HB ASP 37 -9.720 -9.563 -3.455 759 HA PRO 38 HA PRO 38 -6.575 -5.317 -4.968 760 1HB PRO 38 2HB PRO 38 -4.917 -5.938 -7.031 761 2HB PRO 38 1HB PRO 38 -4.361 -5.677 -5.375 762 1HG PRO 38 2HG PRO 38 -4.907 -8.252 -6.791 763 2HG PRO 38 1HG PRO 38 -3.547 -7.820 -5.745 764 1HD PRO 38 1HD PRO 38 -5.609 -9.295 -4.846 765 2HD PRO 38 2HD PRO 38 -4.760 -8.125 -3.805 766 H SER 39 H SER 39 -8.036 -8.145 -6.284 767 HA SER 39 HA SER 39 -8.682 -7.359 -8.969 768 1HB SER 39 2HB SER 39 -9.217 -9.476 -7.302 769 2HB SER 39 1HB SER 39 -10.778 -8.675 -7.317 770 HG SER 39 HG SER 39 -10.982 -9.063 -9.418 771 H GLN 40 H GLN 40 -9.983 -6.510 -5.790 772 HA GLN 40 HA GLN 40 -12.101 -4.730 -6.878 773 1HB GLN 40 2HB GLN 40 -11.263 -4.984 -3.985 774 2HB GLN 40 1HB GLN 40 -12.859 -4.626 -4.626 775 1HG GLN 40 2HG GLN 40 -11.436 -7.297 -4.617 776 2HG GLN 40 1HG GLN 40 -12.869 -6.856 -3.704 777 1HE2 GLN 40 1HE2 GLN 40 -12.296 -8.918 -5.989 778 2HE2 GLN 40 2HE2 GLN 40 -13.571 -8.650 -7.079 779 H SER 41 H SER 41 -8.909 -4.234 -6.954 780 HA SER 41 HA SER 41 -8.217 -2.144 -5.202 781 1HB SER 41 2HB SER 41 -6.503 -1.620 -6.868 782 2HB SER 41 1HB SER 41 -6.645 -3.344 -6.578 783 HG SER 41 HG SER 41 -7.066 -3.549 -8.628 784 H ALA 42 H ALA 42 -9.789 -1.891 -8.431 785 HA ALA 42 HA ALA 42 -9.843 1.000 -8.546 786 1HB ALA 42 2HB ALA 42 -11.672 -1.119 -9.751 787 2HB ALA 42 1HB ALA 42 -11.597 0.565 -10.271 788 3HB ALA 42 3HB ALA 42 -10.200 -0.489 -10.492 789 H ASN 43 H ASN 43 -12.170 -1.458 -7.387 790 HA ASN 43 HA ASN 43 -14.206 0.337 -6.487 791 1HB ASN 43 2HB ASN 43 -14.392 -2.137 -6.967 792 2HB ASN 43 1HB ASN 43 -13.501 -2.436 -5.475 793 1HD2 ASN 43 1HD2 ASN 43 -14.639 -2.221 -3.472 794 2HD2 ASN 43 2HD2 ASN 43 -16.292 -1.842 -3.385 795 H LEU 44 H LEU 44 -11.225 -0.938 -4.970 796 HA LEU 44 HA LEU 44 -11.812 -0.166 -2.254 797 1HB LEU 44 2HB LEU 44 -9.523 -1.065 -3.905 798 2HB LEU 44 1HB LEU 44 -9.096 -0.177 -2.447 799 HG LEU 44 HG LEU 44 -11.205 -2.233 -2.134 800 1HD1 LEU 44 2HD1 LEU 44 -8.646 -2.849 -3.361 801 2HD1 LEU 44 1HD1 LEU 44 -8.806 -3.647 -1.791 802 3HD1 LEU 44 3HD1 LEU 44 -10.020 -3.918 -3.046 803 1HD2 LEU 44 2HD2 LEU 44 -8.837 -1.129 -0.612 804 2HD2 LEU 44 1HD2 LEU 44 -10.555 -1.096 -0.182 805 3HD2 LEU 44 3HD2 LEU 44 -9.648 -2.609 -0.083 806 H LEU 45 H LEU 45 -9.857 1.360 -4.750 807 HA LEU 45 HA LEU 45 -9.164 3.768 -3.421 808 1HB LEU 45 2HB LEU 45 -8.762 2.622 -5.907 809 2HB LEU 45 1HB LEU 45 -9.798 3.994 -6.297 810 HG LEU 45 HG LEU 45 -7.156 4.066 -4.830 811 1HD1 LEU 45 3HD1 LEU 45 -7.453 3.940 -7.448 812 2HD1 LEU 45 2HD1 LEU 45 -7.868 5.646 -7.276 813 3HD1 LEU 45 1HD1 LEU 45 -6.295 5.060 -6.739 814 1HD2 LEU 45 3HD2 LEU 45 -9.417 5.982 -4.943 815 2HD2 LEU 45 2HD2 LEU 45 -8.158 5.788 -3.722 816 3HD2 LEU 45 1HD2 LEU 45 -7.817 6.666 -5.214 817 H ALA 46 H ALA 46 -12.004 2.950 -5.421 818 HA ALA 46 HA ALA 46 -13.349 5.498 -5.273 819 1HB ALA 46 2HB ALA 46 -15.335 3.925 -5.789 820 2HB ALA 46 1HB ALA 46 -13.987 3.888 -6.924 821 3HB ALA 46 3HB ALA 46 -14.152 2.617 -5.713 822 H GLU 47 H GLU 47 -13.594 2.486 -3.351 823 HA GLU 47 HA GLU 47 -15.592 3.264 -1.491 824 1HB GLU 47 2HB GLU 47 -14.466 0.973 -2.004 825 2HB GLU 47 1HB GLU 47 -13.209 1.486 -0.878 826 1HG GLU 47 2HG GLU 47 -14.800 0.215 0.400 827 2HG GLU 47 1HG GLU 47 -15.069 1.904 0.817 828 H ALA 48 H ALA 48 -12.083 3.793 -1.563 829 HA ALA 48 HA ALA 48 -11.761 4.856 1.109 830 1HB ALA 48 3HB ALA 48 -9.675 4.415 0.281 831 2HB ALA 48 1HB ALA 48 -9.775 5.996 -0.502 832 3HB ALA 48 2HB ALA 48 -10.223 4.523 -1.393 833 H LYS 49 H LYS 49 -12.153 6.416 -2.102 834 HA LYS 49 HA LYS 49 -12.258 9.139 -1.188 835 1HB LYS 49 2HB LYS 49 -13.403 7.707 -3.610 836 2HB LYS 49 1HB LYS 49 -13.365 9.462 -3.445 837 1HG LYS 49 2HG LYS 49 -10.904 9.392 -3.222 838 2HG LYS 49 1HG LYS 49 -10.938 7.639 -3.397 839 1HD LYS 49 2HD LYS 49 -12.025 7.942 -5.640 840 2HD LYS 49 1HD LYS 49 -11.795 9.682 -5.467 841 1HE LYS 49 2HE LYS 49 -9.549 9.554 -5.908 842 2HE LYS 49 1HE LYS 49 -9.360 8.053 -4.983 843 1HZ LYS 49 1HZ LYS 49 -10.647 8.277 -7.659 844 2HZ LYS 49 3HZ LYS 49 -9.097 7.657 -7.362 845 3HZ LYS 49 2HZ LYS 49 -10.461 6.843 -6.763 846 H LYS 50 H LYS 50 -14.845 6.744 -1.838 847 HA LYS 50 HA LYS 50 -17.108 8.396 -1.207 848 1HB LYS 50 2HB LYS 50 -16.560 5.413 -1.130 849 2HB LYS 50 1HB LYS 50 -18.161 6.084 -0.812 850 1HG LYS 50 2HG LYS 50 -18.392 6.911 -3.001 851 2HG LYS 50 1HG LYS 50 -16.657 6.872 -3.304 852 1HD LYS 50 2HD LYS 50 -17.631 5.037 -4.527 853 2HD LYS 50 1HD LYS 50 -16.776 4.348 -3.148 854 1HE LYS 50 2HE LYS 50 -19.495 4.972 -2.367 855 2HE LYS 50 1HE LYS 50 -19.504 3.960 -3.823 856 1HZ LYS 50 1HZ LYS 50 -17.911 2.469 -2.748 857 2HZ LYS 50 3HZ LYS 50 -17.943 3.421 -1.343 858 3HZ LYS 50 2HZ LYS 50 -19.337 2.590 -1.835 859 H LEU 51 H LEU 51 -15.079 6.264 0.846 860 HA LEU 51 HA LEU 51 -16.589 6.631 3.280 861 1HB LEU 51 2HB LEU 51 -15.027 4.770 2.882 862 2HB LEU 51 1HB LEU 51 -13.678 5.896 2.769 863 HG LEU 51 HG LEU 51 -13.863 6.481 5.098 864 1HD1 LEU 51 1HD1 LEU 51 -16.431 4.854 5.096 865 2HD1 LEU 51 3HD1 LEU 51 -15.667 5.521 6.540 866 3HD1 LEU 51 2HD1 LEU 51 -16.304 6.603 5.298 867 1HD2 LEU 51 3HD2 LEU 51 -14.143 3.522 4.551 868 2HD2 LEU 51 2HD2 LEU 51 -12.673 4.440 4.875 869 3HD2 LEU 51 1HD2 LEU 51 -13.827 4.138 6.173 870 H ASN 52 H ASN 52 -13.796 8.359 1.842 871 HA ASN 52 HA ASN 52 -13.278 10.168 4.006 872 1HB ASN 52 2HB ASN 52 -11.701 10.882 2.534 873 2HB ASN 52 1HB ASN 52 -12.235 9.560 1.539 874 1HD2 ASN 52 1HD2 ASN 52 -11.524 10.749 -0.403 875 2HD2 ASN 52 2HD2 ASN 52 -12.453 12.038 -1.006 876 H ASP 53 H ASP 53 -15.601 10.219 1.318 877 HA ASP 53 HA ASP 53 -16.546 12.880 1.606 878 1HB ASP 53 2HB ASP 53 -16.889 11.162 -0.269 879 2HB ASP 53 1HB ASP 53 -18.167 10.475 0.731 880 H ALA 54 H ALA 54 -17.419 9.847 3.277 881 HA ALA 54 HA ALA 54 -19.839 10.774 4.561 882 1HB ALA 54 3HB ALA 54 -18.705 8.407 4.174 883 2HB ALA 54 2HB ALA 54 -17.981 8.731 5.749 884 3HB ALA 54 1HB ALA 54 -19.736 8.674 5.581 885 H GLN 55 H GLN 55 -16.399 10.836 5.482 886 HA GLN 55 HA GLN 55 -16.866 11.953 8.155 887 1HB GLN 55 2HB GLN 55 -14.495 11.368 6.367 888 2HB GLN 55 1HB GLN 55 -14.287 12.109 7.942 889 1HG GLN 55 2HG GLN 55 -15.290 10.212 9.055 890 2HG GLN 55 1HG GLN 55 -15.757 9.497 7.510 891 1HE2 GLN 55 1HE2 GLN 55 -13.555 9.600 5.953 892 2HE2 GLN 55 2HE2 GLN 55 -12.230 8.813 6.680 893 H ALA 56 H ALA 56 -15.949 13.157 4.930 894 HA ALA 56 HA ALA 56 -16.514 15.957 5.749 895 1HB ALA 56 2HB ALA 56 -14.267 16.003 6.289 896 2HB ALA 56 3HB ALA 56 -14.129 16.312 4.557 897 3HB ALA 56 1HB ALA 56 -13.887 14.681 5.184 898 HA PRO 57 HA PRO 57 -17.830 16.062 1.483 899 1HB PRO 57 2HB PRO 57 -17.646 18.742 0.951 900 2HB PRO 57 1HB PRO 57 -18.932 18.043 1.956 901 1HG PRO 57 2HG PRO 57 -16.434 19.430 2.776 902 2HG PRO 57 1HG PRO 57 -18.062 19.545 3.461 903 1HD PRO 57 1HD PRO 57 -16.068 18.076 4.588 904 2HD PRO 57 2HD PRO 57 -17.791 17.666 4.753 905 H LYS 58 H LYS 58 -16.835 15.973 -0.562 906 HA LYS 58 HA LYS 58 -13.919 16.054 -0.685 907 1HB LYS 58 2HB LYS 58 -16.128 15.609 -2.717 908 2HB LYS 58 1HB LYS 58 -14.419 15.515 -3.137 909 1HG LYS 58 2HG LYS 58 -14.109 13.762 -1.397 910 2HG LYS 58 1HG LYS 58 -15.839 13.823 -1.058 911 1HD LYS 58 2HD LYS 58 -16.257 13.280 -3.486 912 2HD LYS 58 1HD LYS 58 -14.521 13.029 -3.669 913 1HE LYS 58 2HE LYS 58 -14.768 10.909 -2.909 914 2HE LYS 58 1HE LYS 58 -15.364 11.548 -1.367 915 1HZ LYS 58 2HZ LYS 58 -17.564 11.833 -2.442 916 2HZ LYS 58 1HZ LYS 58 -16.967 11.042 -3.823 917 3HZ LYS 58 3HZ LYS 58 -17.077 10.211 -2.351 No H/Q in entry = 917 Start of MODEL 19 1 H1 VAL 1 1H VAL 1 -6.437 -19.350 7.610 2 H2 VAL 1 3H VAL 1 -6.717 -19.615 5.956 3 H3 VAL 1 2H VAL 1 -5.464 -20.440 6.747 4 HA VAL 1 HA VAL 1 -4.421 -18.733 5.512 5 HB VAL 1 HB VAL 1 -6.617 -17.558 5.175 6 1HG1 VAL 1 3HG1 VAL 1 -6.748 -17.397 7.918 7 2HG1 VAL 1 2HG1 VAL 1 -6.243 -15.766 7.485 8 3HG1 VAL 1 1HG1 VAL 1 -7.723 -16.439 6.807 9 1HG2 VAL 1 3HG2 VAL 1 -4.287 -16.554 4.696 10 2HG2 VAL 1 2HG2 VAL 1 -5.651 -15.441 4.760 11 3HG2 VAL 1 1HG2 VAL 1 -4.555 -15.571 6.134 12 H ASP 2 H ASP 2 -3.425 -19.993 7.591 13 HA ASP 2 HA ASP 2 -2.810 -18.134 9.828 14 1HB ASP 2 2HB ASP 2 -1.898 -20.138 10.878 15 2HB ASP 2 1HB ASP 2 -3.465 -20.526 10.177 16 H ASN 3 H ASN 3 -1.564 -18.188 6.833 17 HA ASN 3 HA ASN 3 1.283 -18.581 7.278 18 1HB ASN 3 2HB ASN 3 0.217 -18.884 5.096 19 2HB ASN 3 1HB ASN 3 -0.332 -17.211 5.096 20 1HD2 ASN 3 1HD2 ASN 3 2.834 -18.955 5.524 21 2HD2 ASN 3 2HD2 ASN 3 3.710 -17.864 4.561 22 H LYS 4 H LYS 4 2.621 -17.175 8.291 23 HA LYS 4 HA LYS 4 1.846 -14.608 9.307 24 1HB LYS 4 2HB LYS 4 4.232 -14.427 9.915 25 2HB LYS 4 1HB LYS 4 3.619 -16.040 10.269 26 1HG LYS 4 2HG LYS 4 4.595 -16.832 8.095 27 2HG LYS 4 1HG LYS 4 5.279 -15.225 7.859 28 1HD LYS 4 2HD LYS 4 7.074 -15.905 9.030 29 2HD LYS 4 1HD LYS 4 6.045 -15.940 10.461 30 1HE LYS 4 2HE LYS 4 5.972 -18.307 8.604 31 2HE LYS 4 1HE LYS 4 7.350 -18.132 9.706 32 1HZ LYS 4 3HZ LYS 4 5.784 -17.830 11.545 33 2HZ LYS 4 2HZ LYS 4 4.473 -18.055 10.484 34 3HZ LYS 4 1HZ LYS 4 5.552 -19.329 10.790 35 H PHE 5 H PHE 5 3.602 -15.501 6.326 36 HA PHE 5 HA PHE 5 4.447 -12.892 5.572 37 1HB PHE 5 2HB PHE 5 3.815 -15.365 3.944 38 2HB PHE 5 1HB PHE 5 4.623 -13.947 3.296 39 HD1 PHE 5 HD1 PHE 5 6.068 -13.571 6.218 40 HD2 PHE 5 HD2 PHE 5 5.824 -16.689 3.266 41 HE1 PHE 5 HE1 PHE 5 8.244 -14.463 6.981 42 HE2 PHE 5 HE2 PHE 5 8.001 -17.583 4.043 43 HZ PHE 5 HZ PHE 5 9.211 -16.473 5.897 44 H ASN 6 H ASN 6 1.299 -14.497 5.184 45 HA ASN 6 HA ASN 6 0.138 -13.026 3.083 46 1HB ASN 6 2HB ASN 6 -0.860 -14.942 4.350 47 2HB ASN 6 1HB ASN 6 -1.156 -13.855 5.708 48 1HD2 ASN 6 1HD2 ASN 6 -1.970 -14.268 2.212 49 2HD2 ASN 6 2HD2 ASN 6 -3.464 -13.469 2.318 50 H LYS 7 H LYS 7 0.147 -12.096 6.588 51 HA LYS 7 HA LYS 7 -0.868 -9.422 5.882 52 1HB LYS 7 2HB LYS 7 -1.763 -10.377 7.852 53 2HB LYS 7 1HB LYS 7 -0.142 -10.740 8.493 54 1HG LYS 7 2HG LYS 7 0.320 -8.307 8.602 55 2HG LYS 7 1HG LYS 7 -1.298 -7.985 7.975 56 1HD LYS 7 2HD LYS 7 -2.313 -9.017 9.878 57 2HD LYS 7 1HD LYS 7 -0.734 -9.560 10.471 58 1HE LYS 7 2HE LYS 7 -0.036 -7.193 10.766 59 2HE LYS 7 1HE LYS 7 -1.626 -6.658 10.182 60 1HZ LYS 7 3HZ LYS 7 -2.672 -7.929 11.962 61 2HZ LYS 7 2HZ LYS 7 -1.150 -8.426 12.534 62 3HZ LYS 7 1HZ LYS 7 -1.592 -6.789 12.604 63 H GLU 8 H GLU 8 2.287 -10.868 6.664 64 HA GLU 8 HA GLU 8 3.719 -8.468 7.319 65 1HB GLU 8 2HB GLU 8 4.447 -11.090 6.010 66 2HB GLU 8 1HB GLU 8 5.623 -9.778 6.101 67 1HG GLU 8 2HG GLU 8 5.532 -9.720 8.476 68 2HG GLU 8 1HG GLU 8 4.137 -10.811 8.522 69 H GLN 9 H GLN 9 2.890 -10.011 4.217 70 HA GLN 9 HA GLN 9 4.097 -8.090 2.486 71 1HB GLN 9 2HB GLN 9 1.721 -9.948 2.187 72 2HB GLN 9 1HB GLN 9 2.391 -9.010 0.864 73 1HG GLN 9 2HG GLN 9 4.498 -10.178 1.024 74 2HG GLN 9 1HG GLN 9 3.937 -11.074 2.437 75 1HE2 GLN 9 1HE2 GLN 9 2.273 -12.750 2.072 76 2HE2 GLN 9 2HE2 GLN 9 1.943 -13.327 0.513 77 H GLN 10 H GLN 10 0.882 -8.461 3.945 78 HA GLN 10 HA GLN 10 -0.499 -6.206 2.824 79 1HB GLN 10 2HB GLN 10 -0.919 -8.328 4.599 80 2HB GLN 10 1HB GLN 10 -1.196 -6.895 5.561 81 1HG GLN 10 2HG GLN 10 -3.248 -6.795 4.643 82 2HG GLN 10 1HG GLN 10 -2.472 -6.369 3.137 83 1HE2 GLN 10 1HE2 GLN 10 -2.699 -9.512 4.957 84 2HE2 GLN 10 2HE2 GLN 10 -3.330 -10.383 3.647 85 H ASN 11 H ASN 11 1.403 -6.531 5.828 86 HA ASN 11 HA ASN 11 1.053 -3.782 6.692 87 1HB ASN 11 2HB ASN 11 1.710 -5.927 8.022 88 2HB ASN 11 1HB ASN 11 3.343 -5.645 7.411 89 1HD2 ASN 11 1HD2 ASN 11 4.600 -4.082 8.500 90 2HD2 ASN 11 2HD2 ASN 11 3.998 -3.044 9.700 91 H ALA 12 H ALA 12 3.735 -5.574 5.102 92 HA ALA 12 HA ALA 12 5.535 -3.356 4.830 93 1HB ALA 12 3HB ALA 12 5.122 -6.034 3.508 94 2HB ALA 12 1HB ALA 12 6.494 -5.466 4.478 95 3HB ALA 12 2HB ALA 12 6.285 -4.891 2.817 96 H PHE 13 H PHE 13 3.007 -4.686 2.680 97 HA PHE 13 HA PHE 13 3.291 -2.936 0.433 98 1HB PHE 13 2HB PHE 13 1.836 -4.910 0.372 99 2HB PHE 13 1HB PHE 13 0.910 -4.330 1.748 100 HD1 PHE 13 HD1 PHE 13 -1.229 -3.600 1.157 101 HD2 PHE 13 HD2 PHE 13 2.062 -2.844 -1.475 102 HE1 PHE 13 HE1 PHE 13 -2.761 -2.515 -0.438 103 HE2 PHE 13 HE2 PHE 13 0.531 -1.760 -3.072 104 HZ PHE 13 HZ PHE 13 -1.877 -1.600 -2.549 105 H TYR 14 H TYR 14 1.072 -2.776 3.197 106 HA TYR 14 HA TYR 14 -0.092 -0.254 2.873 107 1HB TYR 14 2HB TYR 14 -0.717 -1.998 4.454 108 2HB TYR 14 1HB TYR 14 0.790 -1.781 5.333 109 HD1 TYR 14 HD1 TYR 14 1.052 -0.074 6.929 110 HD2 TYR 14 HD2 TYR 14 -2.407 -0.119 4.378 111 HE1 TYR 14 HE1 TYR 14 -0.008 1.654 8.342 112 HE2 TYR 14 HE2 TYR 14 -3.464 1.593 5.775 113 HH TYR 14 HH TYR 14 -1.926 3.535 7.805 114 H GLU 15 H GLU 15 2.805 -1.002 4.900 115 HA GLU 15 HA GLU 15 3.477 1.691 5.547 116 1HB GLU 15 2HB GLU 15 5.147 -0.825 5.283 117 2HB GLU 15 1HB GLU 15 5.736 0.676 6.000 118 1HG GLU 15 2HG GLU 15 3.315 -0.879 6.992 119 2HG GLU 15 1HG GLU 15 4.913 -0.940 7.724 120 H ILE 16 H ILE 16 4.623 -0.373 2.783 121 HA ILE 16 HA ILE 16 6.444 1.482 1.591 122 HB ILE 16 HB ILE 16 4.716 -0.806 0.711 123 1HG1 ILE 16 2HG1 ILE 16 7.498 -0.510 -0.219 124 2HG1 ILE 16 1HG1 ILE 16 7.316 -0.467 1.530 125 1HG2 ILE 16 1HG2 ILE 16 5.906 1.160 -1.249 126 2HG2 ILE 16 3HG2 ILE 16 5.577 -0.524 -1.676 127 3HG2 ILE 16 2HG2 ILE 16 4.253 0.539 -1.195 128 1HD1 ILE 16 3HD1 ILE 16 5.750 -2.563 0.155 129 2HD1 ILE 16 2HD1 ILE 16 7.523 -2.757 0.101 130 3HD1 ILE 16 1HD1 ILE 16 6.696 -2.637 1.652 131 H LEU 17 H LEU 17 2.926 1.154 1.152 132 HA LEU 17 HA LEU 17 2.539 3.401 -0.640 133 1HB LEU 17 2HB LEU 17 0.716 2.002 1.349 134 2HB LEU 17 1HB LEU 17 0.156 3.115 0.111 135 HG LEU 17 HG LEU 17 1.879 0.959 -0.913 136 1HD1 LEU 17 1HD1 LEU 17 -0.085 0.237 0.965 137 2HD1 LEU 17 3HD1 LEU 17 -0.815 -0.013 -0.629 138 3HD1 LEU 17 2HD1 LEU 17 0.701 -0.810 -0.224 139 1HD2 LEU 17 1HD2 LEU 17 0.363 2.678 -2.151 140 2HD2 LEU 17 3HD2 LEU 17 0.379 0.978 -2.682 141 3HD2 LEU 17 2HD2 LEU 17 -0.946 1.560 -1.651 142 H HIS 18 H HIS 18 2.290 3.093 2.932 143 HA HIS 18 HA HIS 18 1.392 5.812 3.371 144 1HB HIS 18 2HB HIS 18 2.429 3.554 5.088 145 2HB HIS 18 1HB HIS 18 2.107 5.139 5.785 146 HD1 HIS 18 HD1 HIS 18 -0.397 6.029 5.653 147 HD2 HIS 18 HD2 HIS 18 0.075 2.055 4.519 148 HE1 HIS 18 HE1 HIS 18 -2.696 4.929 5.473 149 H LEU 19 H LEU 19 4.637 4.446 2.977 150 HA LEU 19 HA LEU 19 6.182 6.253 4.527 151 1HB LEU 19 2HB LEU 19 6.654 4.721 1.970 152 2HB LEU 19 1HB LEU 19 7.911 5.773 2.616 153 HG LEU 19 HG LEU 19 6.583 3.532 4.173 154 1HD1 LEU 19 3HD1 LEU 19 9.104 3.663 2.540 155 2HD1 LEU 19 2HD1 LEU 19 9.008 2.585 3.935 156 3HD1 LEU 19 1HD1 LEU 19 7.879 2.395 2.591 157 1HD2 LEU 19 2HD2 LEU 19 7.938 5.747 5.137 158 2HD2 LEU 19 1HD2 LEU 19 7.739 4.214 5.988 159 3HD2 LEU 19 3HD2 LEU 19 9.201 4.520 5.048 160 HA PRO 20 HA PRO 20 5.056 10.070 2.476 161 1HB PRO 20 2HB PRO 20 6.797 11.683 3.853 162 2HB PRO 20 1HB PRO 20 5.249 11.108 4.509 163 1HG PRO 20 2HG PRO 20 8.000 10.016 4.927 164 2HG PRO 20 1HG PRO 20 6.716 10.308 6.113 165 1HD PRO 20 1HD PRO 20 7.194 7.854 5.172 166 2HD PRO 20 2HD PRO 20 5.537 8.407 5.507 167 H ASN 21 H ASN 21 8.356 8.722 2.446 168 HA ASN 21 HA ASN 21 9.074 10.692 0.310 169 1HB ASN 21 2HB ASN 21 10.705 8.964 2.177 170 2HB ASN 21 1HB ASN 21 11.417 9.909 0.874 171 1HD2 ASN 21 1HD2 ASN 21 10.861 10.087 4.141 172 2HD2 ASN 21 2HD2 ASN 21 10.707 11.768 4.311 173 H LEU 22 H LEU 22 7.669 7.708 0.365 174 HA LEU 22 HA LEU 22 9.365 6.458 -1.717 175 1HB LEU 22 2HB LEU 22 6.894 5.672 -0.166 176 2HB LEU 22 1HB LEU 22 7.312 4.800 -1.634 177 HG LEU 22 HG LEU 22 8.695 4.826 1.020 178 1HD1 LEU 22 1HD1 LEU 22 8.017 2.841 -1.141 179 2HD1 LEU 22 3HD1 LEU 22 9.184 2.434 0.124 180 3HD1 LEU 22 2HD1 LEU 22 7.519 2.840 0.554 181 1HD2 LEU 22 2HD2 LEU 22 10.131 4.509 -1.633 182 2HD2 LEU 22 1HD2 LEU 22 10.491 5.681 -0.344 183 3HD2 LEU 22 3HD2 LEU 22 10.781 3.955 -0.087 184 H ASN 23 H ASN 23 8.840 6.408 -3.854 185 HA ASN 23 HA ASN 23 6.487 8.066 -4.717 186 1HB ASN 23 2HB ASN 23 7.940 8.370 -6.826 187 2HB ASN 23 1HB ASN 23 8.466 9.188 -5.370 188 1HD2 ASN 23 1HD2 ASN 23 10.574 8.662 -4.569 189 2HD2 ASN 23 2HD2 ASN 23 11.546 7.441 -5.236 190 H GLU 24 H GLU 24 6.110 7.446 -7.236 191 HA GLU 24 HA GLU 24 4.805 4.909 -7.263 192 1HB GLU 24 2HB GLU 24 4.418 6.967 -8.721 193 2HB GLU 24 1HB GLU 24 5.817 6.462 -9.667 194 1HG GLU 24 2HG GLU 24 4.501 5.064 -10.841 195 2HG GLU 24 1HG GLU 24 4.161 4.166 -9.363 196 H GLU 25 H GLU 25 8.096 5.825 -8.325 197 HA GLU 25 HA GLU 25 8.698 3.293 -9.620 198 1HB GLU 25 2HB GLU 25 9.863 5.473 -10.001 199 2HB GLU 25 1HB GLU 25 10.531 5.375 -8.375 200 1HG GLU 25 2HG GLU 25 11.572 3.165 -9.017 201 2HG GLU 25 1HG GLU 25 11.049 3.467 -10.673 202 H GLN 26 H GLN 26 9.488 4.583 -6.337 203 HA GLN 26 HA GLN 26 10.770 2.108 -5.451 204 1HB GLN 26 2HB GLN 26 9.769 4.549 -3.966 205 2HB GLN 26 1HB GLN 26 10.768 3.285 -3.253 206 1HG GLN 26 2HG GLN 26 11.524 5.160 -5.518 207 2HG GLN 26 1HG GLN 26 12.232 5.092 -3.910 208 1HE2 GLN 26 1HE2 GLN 26 13.313 4.528 -6.814 209 2HE2 GLN 26 2HE2 GLN 26 14.145 3.062 -6.617 210 H ARG 27 H ARG 27 7.659 3.659 -4.532 211 HA ARG 27 HA ARG 27 6.740 1.596 -2.805 212 1HB ARG 27 2HB ARG 27 5.675 3.747 -2.841 213 2HB ARG 27 1HB ARG 27 5.362 3.649 -4.571 214 1HG ARG 27 2HG ARG 27 3.899 1.593 -4.002 215 2HG ARG 27 1HG ARG 27 3.984 2.152 -2.336 216 1HD ARG 27 2HD ARG 27 1.949 2.994 -3.507 217 2HD ARG 27 1HD ARG 27 3.014 4.318 -3.019 218 HE ARG 27 HE ARG 27 3.191 3.175 -5.782 219 1HH1 ARG 27 1HH1 ARG 27 1.648 4.913 -6.825 220 2HH1 ARG 27 2HH1 ARG 27 2.261 6.521 -6.634 221 1HH2 ARG 27 1HH2 ARG 27 4.515 5.659 -4.130 222 2HH2 ARG 27 2HH2 ARG 27 3.886 6.944 -5.103 223 H ASN 28 H ASN 28 6.034 2.038 -6.353 224 HA ASN 28 HA ASN 28 4.376 -0.295 -6.659 225 1HB ASN 28 2HB ASN 28 4.588 1.655 -8.205 226 2HB ASN 28 1HB ASN 28 6.167 1.087 -8.642 227 1HD2 ASN 28 1HD2 ASN 28 4.746 1.232 -10.822 228 2HD2 ASN 28 2HD2 ASN 28 4.054 -0.242 -11.299 229 H ALA 29 H ALA 29 7.890 0.206 -7.198 230 HA ALA 29 HA ALA 29 8.580 -2.397 -8.146 231 1HB ALA 29 2HB ALA 29 10.038 -0.394 -8.054 232 2HB ALA 29 3HB ALA 29 10.798 -1.794 -7.291 233 3HB ALA 29 1HB ALA 29 10.076 -0.531 -6.293 234 H PHE 30 H PHE 30 8.187 -1.095 -4.868 235 HA PHE 30 HA PHE 30 8.978 -3.438 -3.408 236 1HB PHE 30 2HB PHE 30 7.332 -0.965 -2.896 237 2HB PHE 30 1HB PHE 30 7.479 -2.215 -1.664 238 HD1 PHE 30 HD1 PHE 30 8.570 0.668 -1.522 239 HD2 PHE 30 HD2 PHE 30 10.369 -3.049 -2.684 240 HE1 PHE 30 HE1 PHE 30 10.787 1.500 -0.830 241 HE2 PHE 30 HE2 PHE 30 12.554 -2.217 -2.006 242 HZ PHE 30 HZ PHE 30 12.776 0.011 -1.068 243 H ILE 31 H ILE 31 5.850 -2.212 -4.481 244 HA ILE 31 HA ILE 31 4.293 -4.397 -3.419 245 HB ILE 31 HB ILE 31 3.836 -2.372 -5.643 246 1HG1 ILE 31 2HG1 ILE 31 2.807 -2.426 -2.822 247 2HG1 ILE 31 1HG1 ILE 31 4.323 -1.652 -3.218 248 1HG2 ILE 31 3HG2 ILE 31 2.374 -4.647 -5.239 249 2HG2 ILE 31 2HG2 ILE 31 1.576 -3.483 -4.180 250 3HG2 ILE 31 1HG2 ILE 31 1.737 -3.141 -5.896 251 1HD1 ILE 31 2HD1 ILE 31 1.652 -1.000 -4.463 252 2HD1 ILE 31 1HD1 ILE 31 2.447 -0.070 -3.175 253 3HD1 ILE 31 3HD1 ILE 31 3.196 -0.175 -4.770 254 H GLN 32 H GLN 32 6.269 -3.991 -6.362 255 HA GLN 32 HA GLN 32 5.218 -6.386 -7.705 256 1HB GLN 32 2HB GLN 32 7.623 -4.567 -8.068 257 2HB GLN 32 1HB GLN 32 7.306 -5.946 -9.127 258 1HG GLN 32 2HG GLN 32 5.131 -5.037 -9.743 259 2HG GLN 32 1HG GLN 32 5.312 -3.714 -8.601 260 1HE2 GLN 32 1HE2 GLN 32 5.611 -4.433 -11.864 261 2HE2 GLN 32 2HE2 GLN 32 6.722 -3.226 -12.301 262 H SER 33 H SER 33 8.170 -5.612 -5.801 263 HA SER 33 HA SER 33 9.225 -8.319 -5.747 264 1HB SER 33 2HB SER 33 10.556 -7.295 -3.810 265 2HB SER 33 1HB SER 33 10.731 -6.531 -5.384 266 HG SER 33 HG SER 33 9.024 -5.703 -3.262 267 H LEU 34 H LEU 34 6.890 -6.564 -3.803 268 HA LEU 34 HA LEU 34 6.818 -8.471 -1.578 269 1HB LEU 34 2HB LEU 34 6.498 -5.983 -1.477 270 2HB LEU 34 1HB LEU 34 5.004 -6.173 -2.385 271 HG LEU 34 HG LEU 34 4.321 -7.802 -0.476 272 1HD1 LEU 34 3HD1 LEU 34 6.695 -6.352 0.671 273 2HD1 LEU 34 2HD1 LEU 34 5.395 -6.962 1.695 274 3HD1 LEU 34 1HD1 LEU 34 6.339 -8.079 0.706 275 1HD2 LEU 34 3HD2 LEU 34 3.907 -5.115 -0.954 276 2HD2 LEU 34 2HD2 LEU 34 3.074 -6.075 0.266 277 3HD2 LEU 34 1HD2 LEU 34 4.486 -5.124 0.712 278 H LYS 35 H LYS 35 4.599 -7.611 -4.313 279 HA LYS 35 HA LYS 35 2.520 -9.481 -3.647 280 1HB LYS 35 2HB LYS 35 3.301 -7.822 -6.006 281 2HB LYS 35 1HB LYS 35 2.260 -9.159 -6.354 282 1HG LYS 35 2HG LYS 35 1.673 -6.940 -4.448 283 2HG LYS 35 1HG LYS 35 0.885 -7.261 -5.978 284 1HD LYS 35 2HD LYS 35 0.444 -9.638 -4.871 285 2HD LYS 35 1HD LYS 35 0.608 -8.720 -3.380 286 1HE LYS 35 2HE LYS 35 -1.342 -7.542 -3.726 287 2HE LYS 35 1HE LYS 35 -1.147 -7.540 -5.491 288 1HZ LYS 35 1HZ LYS 35 -1.648 -10.038 -3.964 289 2HZ LYS 35 3HZ LYS 35 -2.915 -9.082 -4.553 290 3HZ LYS 35 2HZ LYS 35 -1.808 -9.776 -5.636 291 H ASP 36 H ASP 36 5.590 -9.892 -5.355 292 HA ASP 36 HA ASP 36 4.889 -12.672 -6.153 293 1HB ASP 36 2HB ASP 36 7.165 -10.763 -6.738 294 2HB ASP 36 1HB ASP 36 7.191 -12.445 -7.265 295 H ASP 37 H ASP 37 6.981 -10.949 -3.798 296 HA ASP 37 HA ASP 37 7.989 -13.619 -2.845 297 1HB ASP 37 2HB ASP 37 9.512 -11.655 -3.790 298 2HB ASP 37 1HB ASP 37 9.338 -11.028 -2.151 299 HA PRO 38 HA PRO 38 5.294 -12.361 0.613 300 1HB PRO 38 2HB PRO 38 5.090 -14.874 1.671 301 2HB PRO 38 1HB PRO 38 4.115 -14.316 0.298 302 1HG PRO 38 2HG PRO 38 6.597 -15.967 0.296 303 2HG PRO 38 1HG PRO 38 5.100 -16.176 -0.631 304 1HD PRO 38 1HD PRO 38 7.304 -15.078 -1.707 305 2HD PRO 38 2HD PRO 38 5.664 -14.570 -2.165 306 H SER 39 H SER 39 8.286 -14.333 0.813 307 HA SER 39 HA SER 39 8.603 -13.909 3.696 308 1HB SER 39 2HB SER 39 10.694 -15.152 3.337 309 2HB SER 39 1HB SER 39 9.362 -15.937 2.497 310 HG SER 39 HG SER 39 11.546 -14.498 1.486 311 H GLN 40 H GLN 40 9.760 -12.182 0.809 312 HA GLN 40 HA GLN 40 11.836 -10.712 2.304 313 1HB GLN 40 2HB GLN 40 11.559 -11.408 -0.277 314 2HB GLN 40 1HB GLN 40 10.793 -9.820 -0.361 315 1HG GLN 40 2HG GLN 40 12.899 -9.021 0.968 316 2HG GLN 40 1HG GLN 40 13.623 -10.516 0.381 317 1HE2 GLN 40 1HE2 GLN 40 13.301 -7.283 -0.416 318 2HE2 GLN 40 2HE2 GLN 40 13.488 -7.400 -2.099 319 H SER 41 H SER 41 8.480 -10.419 2.327 320 HA SER 41 HA SER 41 7.872 -7.734 1.799 321 1HB SER 41 2HB SER 41 6.768 -9.402 4.091 322 2HB SER 41 1HB SER 41 5.927 -8.142 3.196 323 HG SER 41 HG SER 41 6.163 -10.741 2.637 324 H ALA 42 H ALA 42 8.858 -9.016 5.074 325 HA ALA 42 HA ALA 42 8.758 -6.468 6.384 326 1HB ALA 42 2HB ALA 42 10.676 -8.770 6.764 327 2HB ALA 42 3HB ALA 42 9.074 -8.648 7.499 328 3HB ALA 42 1HB ALA 42 10.342 -7.505 7.946 329 H ASN 43 H ASN 43 11.493 -8.112 4.727 330 HA ASN 43 HA ASN 43 13.494 -6.092 5.035 331 1HB ASN 43 2HB ASN 43 12.935 -8.431 3.341 332 2HB ASN 43 1HB ASN 43 13.883 -7.179 2.527 333 1HD2 ASN 43 1HD2 ASN 43 13.882 -8.377 5.963 334 2HD2 ASN 43 2HD2 ASN 43 15.549 -8.693 5.996 335 H LEU 44 H LEU 44 10.914 -6.607 2.644 336 HA LEU 44 HA LEU 44 11.573 -4.478 0.846 337 1HB LEU 44 2HB LEU 44 9.113 -6.050 1.524 338 2HB LEU 44 1HB LEU 44 9.046 -4.735 0.349 339 HG LEU 44 HG LEU 44 10.998 -7.029 0.260 340 1HD1 LEU 44 3HD1 LEU 44 8.558 -7.557 -0.103 341 2HD1 LEU 44 2HD1 LEU 44 8.621 -6.504 -1.514 342 3HD1 LEU 44 1HD1 LEU 44 9.623 -7.957 -1.452 343 1HD2 LEU 44 3HD2 LEU 44 10.864 -4.401 -0.969 344 2HD2 LEU 44 2HD2 LEU 44 12.116 -5.650 -1.094 345 3HD2 LEU 44 1HD2 LEU 44 10.741 -5.688 -2.209 346 H LEU 45 H LEU 45 9.454 -4.653 3.692 347 HA LEU 45 HA LEU 45 8.691 -1.858 3.444 348 1HB LEU 45 2HB LEU 45 7.338 -3.265 4.764 349 2HB LEU 45 1HB LEU 45 8.708 -3.879 5.683 350 HG LEU 45 HG LEU 45 8.997 -1.776 6.804 351 1HD1 LEU 45 1HD1 LEU 45 7.031 -0.752 4.742 352 2HD1 LEU 45 3HD1 LEU 45 7.378 0.133 6.222 353 3HD1 LEU 45 2HD1 LEU 45 8.666 -0.172 5.060 354 1HD2 LEU 45 1HD2 LEU 45 7.173 -3.246 7.609 355 2HD2 LEU 45 3HD2 LEU 45 6.838 -1.546 7.933 356 3HD2 LEU 45 2HD2 LEU 45 6.031 -2.367 6.594 357 H ALA 46 H ALA 46 11.205 -3.617 5.353 358 HA ALA 46 HA ALA 46 12.450 -1.387 6.635 359 1HB ALA 46 3HB ALA 46 13.344 -4.047 5.492 360 2HB ALA 46 2HB ALA 46 14.562 -2.916 6.105 361 3HB ALA 46 1HB ALA 46 13.295 -3.523 7.185 362 H GLU 47 H GLU 47 13.119 -2.723 3.327 363 HA GLU 47 HA GLU 47 15.139 -0.734 2.775 364 1HB GLU 47 2HB GLU 47 14.969 -1.568 0.443 365 2HB GLU 47 1HB GLU 47 15.186 -2.859 1.612 366 1HG GLU 47 2HG GLU 47 12.674 -3.116 1.522 367 2HG GLU 47 1HG GLU 47 12.743 -2.081 0.095 368 H ALA 48 H ALA 48 11.581 -0.946 2.258 369 HA ALA 48 HA ALA 48 11.363 1.527 0.785 370 1HB ALA 48 3HB ALA 48 9.752 -0.447 1.235 371 2HB ALA 48 2HB ALA 48 9.421 0.352 2.779 372 3HB ALA 48 1HB ALA 48 9.053 1.170 1.252 373 H LYS 49 H LYS 49 11.453 0.686 4.260 374 HA LYS 49 HA LYS 49 10.921 3.272 5.427 375 1HB LYS 49 2HB LYS 49 12.396 0.755 6.259 376 2HB LYS 49 1HB LYS 49 12.187 2.082 7.370 377 1HG LYS 49 2HG LYS 49 10.018 0.431 6.076 378 2HG LYS 49 1HG LYS 49 10.477 0.412 7.767 379 1HD LYS 49 2HD LYS 49 9.892 2.910 7.759 380 2HD LYS 49 1HD LYS 49 9.101 2.582 6.213 381 1HE LYS 49 2HE LYS 49 7.323 1.644 7.248 382 2HE LYS 49 1HE LYS 49 8.385 0.563 8.174 383 1HZ LYS 49 3HZ LYS 49 8.862 2.399 9.690 384 2HZ LYS 49 2HZ LYS 49 7.823 3.421 8.813 385 3HZ LYS 49 1HZ LYS 49 7.198 2.081 9.646 386 H LYS 50 H LYS 50 13.742 1.448 4.458 387 HA LYS 50 HA LYS 50 15.877 3.194 5.193 388 1HB LYS 50 2HB LYS 50 16.355 0.931 4.732 389 2HB LYS 50 1HB LYS 50 15.308 0.911 3.332 390 1HG LYS 50 2HG LYS 50 17.111 2.569 2.329 391 2HG LYS 50 1HG LYS 50 18.151 1.807 3.537 392 1HD LYS 50 2HD LYS 50 16.429 0.216 1.595 393 2HD LYS 50 1HD LYS 50 18.112 0.649 1.261 394 1HE LYS 50 2HE LYS 50 18.767 -0.499 3.420 395 2HE LYS 50 1HE LYS 50 17.089 -1.066 3.561 396 1HZ LYS 50 3HZ LYS 50 17.289 -2.036 1.331 397 2HZ LYS 50 2HZ LYS 50 18.917 -1.550 1.256 398 3HZ LYS 50 1HZ LYS 50 18.424 -2.705 2.400 399 H LEU 51 H LEU 51 13.868 2.875 2.263 400 HA LEU 51 HA LEU 51 15.236 4.886 0.676 401 1HB LEU 51 2HB LEU 51 12.832 3.175 0.590 402 2HB LEU 51 1HB LEU 51 12.650 4.701 -0.263 403 HG LEU 51 HG LEU 51 14.282 4.183 -1.819 404 1HD1 LEU 51 2HD1 LEU 51 15.441 2.484 0.362 405 2HD1 LEU 51 1HD1 LEU 51 15.828 2.099 -1.317 406 3HD1 LEU 51 3HD1 LEU 51 16.236 3.688 -0.658 407 1HD2 LEU 51 2HD2 LEU 51 12.857 1.728 -0.875 408 2HD2 LEU 51 1HD2 LEU 51 12.621 2.656 -2.360 409 3HD2 LEU 51 3HD2 LEU 51 14.025 1.598 -2.196 410 H ASN 52 H ASN 52 12.512 4.901 2.930 411 HA ASN 52 HA ASN 52 11.420 7.449 2.393 412 1HB ASN 52 2HB ASN 52 10.560 5.553 3.858 413 2HB ASN 52 1HB ASN 52 11.688 6.106 5.095 414 1HD2 ASN 52 1HD2 ASN 52 10.990 7.789 6.421 415 2HD2 ASN 52 2HD2 ASN 52 9.610 8.735 6.129 416 H ASP 53 H ASP 53 14.072 6.490 4.603 417 HA ASP 53 HA ASP 53 14.619 9.240 5.487 418 1HB ASP 53 2HB ASP 53 16.182 6.649 5.745 419 2HB ASP 53 1HB ASP 53 16.534 8.136 6.620 420 H ALA 54 H ALA 54 16.087 6.951 3.162 421 HA ALA 54 HA ALA 54 18.381 8.566 2.458 422 1HB ALA 54 2HB ALA 54 18.530 6.972 0.583 423 2HB ALA 54 1HB ALA 54 18.126 6.119 2.074 424 3HB ALA 54 3HB ALA 54 16.870 6.452 0.880 425 H GLN 55 H GLN 55 15.131 8.205 1.004 426 HA GLN 55 HA GLN 55 15.637 10.289 -1.031 427 1HB GLN 55 2HB GLN 55 13.177 8.688 -0.277 428 2HB GLN 55 1HB GLN 55 13.318 9.718 -1.698 429 1HG GLN 55 2HG GLN 55 15.236 8.305 -2.482 430 2HG GLN 55 1HG GLN 55 14.961 7.222 -1.111 431 1HE2 GLN 55 1HE2 GLN 55 12.292 6.847 -0.971 432 2HE2 GLN 55 2HE2 GLN 55 11.648 6.274 -2.432 433 H ALA 56 H ALA 56 15.019 10.503 2.237 434 HA ALA 56 HA ALA 56 12.780 12.289 2.440 435 1HB ALA 56 3HB ALA 56 14.969 12.612 4.378 436 2HB ALA 56 2HB ALA 56 13.288 12.162 4.653 437 3HB ALA 56 1HB ALA 56 14.459 10.935 4.159 438 HA PRO 57 HA PRO 57 14.447 16.097 1.130 439 1HB PRO 57 2HB PRO 57 13.060 17.847 2.719 440 2HB PRO 57 1HB PRO 57 12.335 16.985 1.347 441 1HG PRO 57 2HG PRO 57 12.193 16.360 4.257 442 2HG PRO 57 1HG PRO 57 10.925 16.281 3.020 443 1HD PRO 57 1HD PRO 57 12.247 14.093 3.922 444 2HD PRO 57 2HD PRO 57 11.599 14.220 2.271 445 H LYS 58 H LYS 58 14.418 15.540 4.661 446 HA LYS 58 HA LYS 58 17.158 16.647 4.864 447 1HB LYS 58 2HB LYS 58 15.479 18.543 5.057 448 2HB LYS 58 1HB LYS 58 14.857 17.759 6.510 449 1HG LYS 58 2HG LYS 58 17.033 17.954 7.597 450 2HG LYS 58 1HG LYS 58 17.742 18.614 6.123 451 1HD LYS 58 2HD LYS 58 17.277 20.527 7.432 452 2HD LYS 58 1HD LYS 58 15.931 20.443 6.294 453 1HE LYS 58 2HE LYS 58 14.500 19.400 7.982 454 2HE LYS 58 1HE LYS 58 15.855 19.329 9.125 455 1HZ LYS 58 2HZ LYS 58 16.053 21.744 8.986 456 2HZ LYS 58 1HZ LYS 58 14.735 21.810 7.914 457 3HZ LYS 58 3HZ LYS 58 14.502 21.302 9.514 458 H1 VAL 1 2H VAL 1 -3.969 -14.724 -18.404 459 H2 VAL 1 1H VAL 1 -2.835 -15.728 -17.634 460 H3 VAL 1 3H VAL 1 -4.454 -16.221 -17.769 461 HA VAL 1 HA VAL 1 -5.202 -14.574 -16.234 462 HB VAL 1 HB VAL 1 -2.653 -16.022 -15.407 463 1HG1 VAL 1 3HG1 VAL 1 -4.736 -14.604 -13.721 464 2HG1 VAL 1 2HG1 VAL 1 -3.640 -15.823 -13.068 465 3HG1 VAL 1 1HG1 VAL 1 -2.994 -14.325 -13.738 466 1HG2 VAL 1 3HG2 VAL 1 -5.608 -16.681 -15.316 467 2HG2 VAL 1 2HG2 VAL 1 -4.309 -17.607 -16.070 468 3HG2 VAL 1 1HG2 VAL 1 -4.435 -17.533 -14.313 469 H ASP 2 H ASP 2 -4.956 -12.501 -15.375 470 HA ASP 2 HA ASP 2 -2.740 -10.841 -16.381 471 1HB ASP 2 2HB ASP 2 -5.095 -10.064 -16.323 472 2HB ASP 2 1HB ASP 2 -5.106 -10.230 -14.569 473 H ASN 3 H ASN 3 -0.854 -10.614 -15.270 474 HA ASN 3 HA ASN 3 -0.860 -11.025 -12.295 475 1HB ASN 3 2HB ASN 3 1.220 -11.497 -14.459 476 2HB ASN 3 1HB ASN 3 1.599 -11.577 -12.738 477 1HD2 ASN 3 1HD2 ASN 3 0.125 -13.316 -15.398 478 2HD2 ASN 3 2HD2 ASN 3 -0.339 -14.681 -14.502 479 H LYS 4 H LYS 4 -1.624 -8.550 -13.406 480 HA LYS 4 HA LYS 4 0.736 -6.737 -13.077 481 1HB LYS 4 2HB LYS 4 -0.859 -6.785 -15.106 482 2HB LYS 4 1HB LYS 4 -2.062 -6.077 -14.033 483 1HG LYS 4 2HG LYS 4 -0.076 -4.375 -13.509 484 2HG LYS 4 1HG LYS 4 0.465 -4.883 -15.106 485 1HD LYS 4 2HD LYS 4 -0.921 -3.174 -15.764 486 2HD LYS 4 1HD LYS 4 -2.128 -4.455 -15.676 487 1HE LYS 4 2HE LYS 4 -1.530 -2.865 -13.187 488 2HE LYS 4 1HE LYS 4 -2.568 -2.154 -14.433 489 1HZ LYS 4 3HZ LYS 4 -3.729 -4.446 -14.399 490 2HZ LYS 4 2HZ LYS 4 -2.981 -4.639 -12.883 491 3HZ LYS 4 1HZ LYS 4 -4.058 -3.356 -13.143 492 H PHE 5 H PHE 5 -1.029 -8.105 -10.838 493 HA PHE 5 HA PHE 5 -2.593 -6.114 -9.551 494 1HB PHE 5 2HB PHE 5 -1.103 -8.508 -8.481 495 2HB PHE 5 1HB PHE 5 -2.328 -7.628 -7.601 496 HD1 PHE 5 HD1 PHE 5 -4.560 -7.166 -9.175 497 HD2 PHE 5 HD2 PHE 5 -1.850 -10.489 -9.467 498 HE1 PHE 5 HE1 PHE 5 -6.325 -8.509 -10.279 499 HE2 PHE 5 HE2 PHE 5 -3.618 -11.829 -10.570 500 HZ PHE 5 HZ PHE 5 -5.854 -10.840 -10.976 501 H ASN 6 H ASN 6 0.832 -6.873 -9.305 502 HA ASN 6 HA ASN 6 1.374 -5.153 -7.058 503 1HB ASN 6 2HB ASN 6 3.778 -5.377 -7.934 504 2HB ASN 6 1HB ASN 6 2.953 -6.855 -7.479 505 1HD2 ASN 6 1HD2 ASN 6 3.569 -8.460 -8.952 506 2HD2 ASN 6 2HD2 ASN 6 3.664 -8.249 -10.634 507 H LYS 7 H LYS 7 1.130 -4.470 -10.470 508 HA LYS 7 HA LYS 7 2.394 -1.828 -10.227 509 1HB LYS 7 2HB LYS 7 0.928 -3.366 -12.370 510 2HB LYS 7 1HB LYS 7 1.449 -1.697 -12.630 511 1HG LYS 7 2HG LYS 7 3.789 -2.389 -12.060 512 2HG LYS 7 1HG LYS 7 3.232 -4.056 -11.952 513 1HD LYS 7 2HD LYS 7 4.033 -3.938 -14.152 514 2HD LYS 7 1HD LYS 7 2.305 -3.660 -14.359 515 1HE LYS 7 2HE LYS 7 3.225 -1.903 -15.629 516 2HE LYS 7 1HE LYS 7 2.979 -1.110 -14.060 517 1HZ LYS 7 1HZ LYS 7 5.494 -2.475 -14.899 518 2HZ LYS 7 3HZ LYS 7 5.253 -0.797 -14.919 519 3HZ LYS 7 2HZ LYS 7 5.243 -1.635 -13.442 520 H GLU 8 H GLU 8 -0.840 -3.172 -10.358 521 HA GLU 8 HA GLU 8 -2.126 -0.589 -10.418 522 1HB GLU 8 2HB GLU 8 -4.187 -1.877 -10.091 523 2HB GLU 8 1HB GLU 8 -3.171 -2.601 -11.332 524 1HG GLU 8 2HG GLU 8 -2.336 -4.225 -9.688 525 2HG GLU 8 1HG GLU 8 -3.393 -3.529 -8.459 526 H LEU 9 H LEU 9 -0.867 -2.568 -7.755 527 HA LEU 9 HA LEU 9 -2.479 -1.135 -5.770 528 1HB LEU 9 2HB LEU 9 0.172 -2.444 -5.155 529 2HB LEU 9 1HB LEU 9 -1.154 -2.113 -4.099 530 HG LEU 9 HG LEU 9 -1.766 -3.902 -6.373 531 1HD1 LEU 9 3HD1 LEU 9 0.276 -4.433 -4.291 532 2HD1 LEU 9 2HD1 LEU 9 -0.965 -5.677 -4.408 533 3HD1 LEU 9 1HD1 LEU 9 0.019 -5.285 -5.816 534 1HD2 LEU 9 2HD2 LEU 9 -2.541 -3.677 -3.447 535 2HD2 LEU 9 1HD2 LEU 9 -3.523 -3.217 -4.841 536 3HD2 LEU 9 3HD2 LEU 9 -3.157 -4.919 -4.535 537 H SER 10 H SER 10 0.473 -0.446 -7.533 538 HA SER 10 HA SER 10 1.614 1.488 -5.713 539 1HB SER 10 2HB SER 10 2.884 0.638 -7.549 540 2HB SER 10 1HB SER 10 1.654 1.092 -8.713 541 HG SER 10 HG SER 10 2.348 3.101 -8.664 542 H VAL 11 H VAL 11 -0.660 1.751 -8.471 543 HA VAL 11 HA VAL 11 -1.220 4.603 -8.024 544 HB VAL 11 HB VAL 11 -2.654 2.553 -9.756 545 1HG1 VAL 11 2HG1 VAL 11 -2.485 5.567 -9.730 546 2HG1 VAL 11 1HG1 VAL 11 -2.954 4.683 -11.183 547 3HG1 VAL 11 3HG1 VAL 11 -3.924 4.547 -9.717 548 1HG2 VAL 11 2HG2 VAL 11 -0.230 4.261 -10.431 549 2HG2 VAL 11 1HG2 VAL 11 -0.224 2.505 -10.225 550 3HG2 VAL 11 3HG2 VAL 11 -1.109 3.237 -11.566 551 H ALA 12 H ALA 12 -3.132 1.564 -7.758 552 HA ALA 12 HA ALA 12 -5.487 2.709 -6.623 553 1HB ALA 12 3HB ALA 12 -5.132 0.416 -7.700 554 2HB ALA 12 1HB ALA 12 -6.141 0.444 -6.256 555 3HB ALA 12 2HB ALA 12 -4.462 -0.096 -6.146 556 H GLY 13 H GLY 13 -2.936 0.886 -5.029 557 1HA GLY 13 1HA GLY 13 -2.141 0.854 -2.870 558 2HA GLY 13 2HA GLY 13 -3.799 1.200 -2.373 559 H ARG 14 H ARG 14 -1.221 3.034 -4.044 560 HA ARG 14 HA ARG 14 -0.692 4.737 -1.891 561 1HB ARG 14 2HB ARG 14 0.612 4.376 -4.035 562 2HB ARG 14 1HB ARG 14 -0.457 5.559 -4.782 563 1HG ARG 14 2HG ARG 14 1.648 6.578 -3.935 564 2HG ARG 14 1HG ARG 14 0.221 7.248 -3.157 565 1HD ARG 14 2HD ARG 14 0.826 6.447 -1.105 566 2HD ARG 14 1HD ARG 14 1.364 4.896 -1.771 567 HE ARG 14 HE ARG 14 3.531 5.825 -2.098 568 1HH1 ARG 14 1HH1 ARG 14 3.081 8.382 -3.389 569 2HH1 ARG 14 2HH1 ARG 14 3.429 9.545 -2.156 570 1HH2 ARG 14 1HH2 ARG 14 3.180 7.246 0.452 571 2HH2 ARG 14 2HH2 ARG 14 3.485 8.898 0.032 572 H GLU 15 H GLU 15 -3.167 5.280 -4.482 573 HA GLU 15 HA GLU 15 -3.863 7.963 -3.615 574 1HB GLU 15 2HB GLU 15 -5.315 5.770 -5.120 575 2HB GLU 15 1HB GLU 15 -6.050 7.347 -4.829 576 1HG GLU 15 2HG GLU 15 -4.078 8.429 -5.920 577 2HG GLU 15 1HG GLU 15 -3.439 6.829 -6.288 578 H ILE 16 H ILE 16 -5.122 4.753 -2.765 579 HA ILE 16 HA ILE 16 -7.200 5.436 -0.896 580 HB ILE 16 HB ILE 16 -5.312 3.058 -1.219 581 1HG1 ILE 16 2HG1 ILE 16 -8.233 3.253 -2.019 582 2HG1 ILE 16 1HG1 ILE 16 -6.963 3.813 -3.097 583 1HG2 ILE 16 1HG2 ILE 16 -7.700 3.470 0.563 584 2HG2 ILE 16 3HG2 ILE 16 -7.398 1.862 -0.110 585 3HG2 ILE 16 2HG2 ILE 16 -6.180 2.647 0.905 586 1HD1 ILE 16 2HD1 ILE 16 -5.992 1.363 -2.500 587 2HD1 ILE 16 1HD1 ILE 16 -7.719 1.051 -2.333 588 3HD1 ILE 16 3HD1 ILE 16 -7.079 1.669 -3.861 589 H VAL 17 H VAL 17 -3.722 5.032 -0.607 590 HA VAL 17 HA VAL 17 -3.692 5.177 2.324 591 HB VAL 17 HB VAL 17 -2.341 3.849 0.429 592 1HG1 VAL 17 2HG1 VAL 17 -1.280 6.199 -0.146 593 2HG1 VAL 17 1HG1 VAL 17 -0.181 5.724 1.142 594 3HG1 VAL 17 3HG1 VAL 17 -0.378 4.698 -0.280 595 1HG2 VAL 17 2HG2 VAL 17 -2.300 3.400 2.794 596 2HG2 VAL 17 1HG2 VAL 17 -0.693 3.295 2.066 597 3HG2 VAL 17 3HG2 VAL 17 -1.131 4.722 3.000 598 H THR 18 H THR 18 -3.583 7.540 -0.246 599 HA THR 18 HA THR 18 -2.119 9.458 1.534 600 HB THR 18 HB THR 18 -1.614 10.665 -0.576 601 HG1 THR 18 HG1 THR 18 -3.097 10.180 -2.023 602 1HG2 THR 18 1HG2 THR 18 -0.723 7.992 0.155 603 2HG2 THR 18 3HG2 THR 18 -0.498 8.321 -1.561 604 3HG2 THR 18 2HG2 THR 18 0.222 9.388 -0.359 605 H LEU 19 H LEU 19 -5.404 8.932 0.436 606 HA LEU 19 HA LEU 19 -6.048 11.693 -0.086 607 1HB LEU 19 2HB LEU 19 -8.404 11.022 0.495 608 2HB LEU 19 1HB LEU 19 -7.622 10.086 -0.754 609 HG LEU 19 HG LEU 19 -7.307 8.982 1.966 610 1HD1 LEU 19 1HD1 LEU 19 -9.573 9.988 2.002 611 2HD1 LEU 19 3HD1 LEU 19 -9.986 9.060 0.562 612 3HD1 LEU 19 2HD1 LEU 19 -9.626 8.222 2.074 613 1HD2 LEU 19 1HD2 LEU 19 -7.937 8.018 -0.825 614 2HD2 LEU 19 3HD2 LEU 19 -6.637 7.512 0.249 615 3HD2 LEU 19 2HD2 LEU 19 -8.283 6.975 0.553 616 HA PRO 20 HA PRO 20 -5.562 13.668 3.727 617 1HB PRO 20 2HB PRO 20 -7.119 15.874 3.329 618 2HB PRO 20 1HB PRO 20 -5.569 15.601 2.513 619 1HG PRO 20 2HG PRO 20 -8.328 15.292 1.484 620 2HG PRO 20 1HG PRO 20 -6.856 15.796 0.644 621 1HD PRO 20 1HD PRO 20 -8.007 13.270 0.501 622 2HD PRO 20 2HD PRO 20 -6.329 13.669 0.069 623 H ASN 21 H ASN 21 -9.073 13.539 2.860 624 HA ASN 21 HA ASN 21 -10.015 14.162 5.523 625 1HB ASN 21 2HB ASN 21 -11.260 12.669 3.217 626 2HB ASN 21 1HB ASN 21 -12.144 13.134 4.654 627 1HD2 ASN 21 1HD2 ASN 21 -13.362 14.273 2.688 628 2HD2 ASN 21 2HD2 ASN 21 -12.887 15.875 2.388 629 H LEU 22 H LEU 22 -8.858 11.165 4.136 630 HA LEU 22 HA LEU 22 -10.135 9.343 5.995 631 1HB LEU 22 2HB LEU 22 -9.020 9.144 3.611 632 2HB LEU 22 1HB LEU 22 -7.587 8.816 4.558 633 HG LEU 22 HG LEU 22 -8.943 7.040 5.757 634 1HD1 LEU 22 2HD1 LEU 22 -11.134 8.063 4.695 635 2HD1 LEU 22 1HD1 LEU 22 -10.702 7.055 3.315 636 3HD1 LEU 22 3HD1 LEU 22 -10.997 6.317 4.890 637 1HD2 LEU 22 1HD2 LEU 22 -7.459 7.051 3.373 638 2HD2 LEU 22 3HD2 LEU 22 -7.836 5.650 4.379 639 3HD2 LEU 22 2HD2 LEU 22 -8.878 6.062 3.018 640 H ASN 23 H ASN 23 -8.986 8.033 7.523 641 HA ASN 23 HA ASN 23 -6.485 9.261 8.657 642 1HB ASN 23 2HB ASN 23 -7.331 8.837 10.912 643 2HB ASN 23 1HB ASN 23 -8.484 9.818 10.023 644 1HD2 ASN 23 1HD2 ASN 23 -9.391 8.418 12.272 645 2HD2 ASN 23 2HD2 ASN 23 -10.385 7.131 11.783 646 H ASP 24 H ASP 24 -5.179 7.641 9.951 647 HA ASP 24 HA ASP 24 -4.297 5.541 8.443 648 1HB ASP 24 2HB ASP 24 -3.127 4.736 10.431 649 2HB ASP 24 1HB ASP 24 -3.102 6.490 10.325 650 HA PRO 25 HA PRO 25 -6.919 2.122 10.602 651 1HB PRO 25 2HB PRO 25 -9.476 2.779 11.339 652 2HB PRO 25 1HB PRO 25 -8.095 2.813 12.453 653 1HG PRO 25 2HG PRO 25 -9.382 5.057 10.972 654 2HG PRO 25 1HG PRO 25 -8.825 4.991 12.650 655 1HD PRO 25 1HD PRO 25 -7.390 6.192 10.728 656 2HD PRO 25 2HD PRO 25 -6.632 5.340 12.082 657 H GLN 26 H GLN 26 -8.651 4.628 8.653 658 HA GLN 26 HA GLN 26 -10.360 2.710 7.274 659 1HB GLN 26 2HB GLN 26 -9.487 5.485 6.416 660 2HB GLN 26 1HB GLN 26 -10.933 4.631 5.893 661 1HG GLN 26 2HG GLN 26 -10.441 5.258 8.801 662 2HG GLN 26 1HG GLN 26 -11.196 6.424 7.732 663 1HE2 GLN 26 1HE2 GLN 26 -13.164 6.297 8.938 664 2HE2 GLN 26 2HE2 GLN 26 -14.201 4.957 8.821 665 H LYS 27 H LYS 27 -7.500 4.605 6.167 666 HA LYS 27 HA LYS 27 -7.068 3.340 3.677 667 1HB LYS 27 2HB LYS 27 -4.578 3.862 4.201 668 2HB LYS 27 1HB LYS 27 -5.710 5.188 4.045 669 1HG LYS 27 2HG LYS 27 -5.886 4.868 6.699 670 2HG LYS 27 1HG LYS 27 -4.298 4.161 6.464 671 1HD LYS 27 2HD LYS 27 -3.955 6.495 6.867 672 2HD LYS 27 1HD LYS 27 -3.672 6.219 5.156 673 1HE LYS 27 2HE LYS 27 -5.657 7.297 4.502 674 2HE LYS 27 1HE LYS 27 -6.421 7.066 6.081 675 1HZ LYS 27 3HZ LYS 27 -4.036 8.772 5.565 676 2HZ LYS 27 2HZ LYS 27 -5.618 9.346 5.788 677 3HZ LYS 27 1HZ LYS 27 -4.809 8.569 7.064 678 H LYS 28 H LYS 28 -6.056 2.316 6.901 679 HA LYS 28 HA LYS 28 -4.436 0.077 6.232 680 1HB LYS 28 2HB LYS 28 -6.005 1.137 8.508 681 2HB LYS 28 1HB LYS 28 -5.999 -0.619 8.500 682 1HG LYS 28 2HG LYS 28 -3.439 0.798 8.061 683 2HG LYS 28 1HG LYS 28 -4.077 0.752 9.690 684 1HD LYS 28 2HD LYS 28 -3.913 -1.566 9.834 685 2HD LYS 28 1HD LYS 28 -3.995 -1.780 8.086 686 1HE LYS 28 2HE LYS 28 -1.719 -2.264 8.789 687 2HE LYS 28 1HE LYS 28 -1.701 -0.713 7.932 688 1HZ LYS 28 1HZ LYS 28 -1.984 -0.983 10.887 689 2HZ LYS 28 3HZ LYS 28 -0.512 -0.672 10.104 690 3HZ LYS 28 2HZ LYS 28 -1.774 0.458 10.009 691 H ALA 29 H ALA 29 -7.976 0.330 6.817 692 HA ALA 29 HA ALA 29 -8.728 -2.382 6.490 693 1HB ALA 29 3HB ALA 29 -10.955 -1.491 6.350 694 2HB ALA 29 2HB ALA 29 -10.045 -0.412 7.407 695 3HB ALA 29 1HB ALA 29 -10.365 0.052 5.735 696 H PHE 30 H PHE 30 -8.811 0.226 3.927 697 HA PHE 30 HA PHE 30 -9.505 -1.842 1.963 698 1HB PHE 30 2HB PHE 30 -8.590 0.492 0.585 699 2HB PHE 30 1HB PHE 30 -10.196 -0.184 0.652 700 HD1 PHE 30 HD1 PHE 30 -11.948 0.901 1.907 701 HD2 PHE 30 HD2 PHE 30 -7.865 2.167 2.243 702 HE1 PHE 30 HE1 PHE 30 -12.691 2.981 2.973 703 HE2 PHE 30 HE2 PHE 30 -8.626 4.250 3.339 704 HZ PHE 30 HZ PHE 30 -11.034 4.667 3.705 705 H ILE 31 H ILE 31 -6.441 -0.221 2.919 706 HA ILE 31 HA ILE 31 -4.949 -1.102 0.633 707 HB ILE 31 HB ILE 31 -4.168 -0.407 3.463 708 1HG1 ILE 31 2HG1 ILE 31 -4.394 0.974 0.869 709 2HG1 ILE 31 1HG1 ILE 31 -4.238 1.664 2.491 710 1HG2 ILE 31 3HG2 ILE 31 -2.647 -2.247 2.527 711 2HG2 ILE 31 2HG2 ILE 31 -2.201 -1.112 1.242 712 3HG2 ILE 31 1HG2 ILE 31 -1.830 -0.740 2.922 713 1HD1 ILE 31 1HD1 ILE 31 -1.961 0.516 0.893 714 2HD1 ILE 31 3HD1 ILE 31 -2.374 2.229 0.955 715 3HD1 ILE 31 2HD1 ILE 31 -1.865 1.407 2.434 716 H PHE 32 H PHE 32 -5.380 -2.646 3.858 717 HA PHE 32 HA PHE 32 -3.848 -4.989 3.265 718 1HB PHE 32 2HB PHE 32 -5.862 -4.140 5.316 719 2HB PHE 32 1HB PHE 32 -5.514 -5.866 5.195 720 HD1 PHE 32 HD1 PHE 32 -3.490 -2.606 5.067 721 HD2 PHE 32 HD2 PHE 32 -3.773 -6.678 6.652 722 HE1 PHE 32 HE1 PHE 32 -1.374 -2.355 6.257 723 HE2 PHE 32 HE2 PHE 32 -1.643 -6.321 7.786 724 HZ PHE 32 HZ PHE 32 -0.447 -4.217 7.558 725 H SER 33 H SER 33 -7.325 -4.249 2.694 726 HA SER 33 HA SER 33 -7.907 -6.930 1.643 727 1HB SER 33 2HB SER 33 -10.054 -5.907 1.024 728 2HB SER 33 1HB SER 33 -9.614 -5.421 2.654 729 HG SER 33 HG SER 33 -10.337 -3.689 1.298 730 H LEU 34 H LEU 34 -6.753 -3.846 0.310 731 HA LEU 34 HA LEU 34 -7.071 -4.373 -2.518 732 1HB LEU 34 2HB LEU 34 -6.621 -2.151 -1.528 733 2HB LEU 34 1HB LEU 34 -5.073 -2.694 -0.934 734 HG LEU 34 HG LEU 34 -4.636 -3.192 -3.469 735 1HD1 LEU 34 1HD1 LEU 34 -6.978 -1.290 -3.510 736 2HD1 LEU 34 3HD1 LEU 34 -5.797 -1.315 -4.820 737 3HD1 LEU 34 2HD1 LEU 34 -6.743 -2.761 -4.455 738 1HD2 LEU 34 3HD2 LEU 34 -3.795 -1.253 -1.778 739 2HD2 LEU 34 2HD2 LEU 34 -3.381 -1.247 -3.497 740 3HD2 LEU 34 1HD2 LEU 34 -4.719 -0.263 -2.911 741 H TRP 35 H TRP 35 -4.458 -4.994 -0.172 742 HA TRP 35 HA TRP 35 -2.531 -6.073 -2.011 743 1HB TRP 35 2HB TRP 35 -2.093 -5.246 0.286 744 2HB TRP 35 1HB TRP 35 -2.964 -6.639 0.935 745 HD1 TRP 35 HD1 TRP 35 -1.589 -8.785 1.250 746 HE1 TRP 35 HE1 TRP 35 0.667 -9.623 0.411 747 HE3 TRP 35 HE3 TRP 35 -0.374 -4.992 -1.895 748 HZ2 TRP 35 HZ2 TRP 35 2.770 -8.773 -1.339 749 HZ3 TRP 35 HZ3 TRP 35 1.758 -5.041 -3.144 750 HH2 TRP 35 HH2 TRP 35 3.318 -6.901 -2.855 751 H ASP 36 H ASP 36 -4.941 -7.681 0.126 752 HA ASP 36 HA ASP 36 -4.271 -10.372 -0.704 753 1HB ASP 36 2HB ASP 36 -5.610 -9.204 1.378 754 2HB ASP 36 1HB ASP 36 -6.962 -9.786 0.409 755 H ASP 37 H ASP 37 -6.846 -8.057 -1.602 756 HA ASP 37 HA ASP 37 -7.394 -9.727 -3.995 757 1HB ASP 37 2HB ASP 37 -9.305 -8.562 -1.956 758 2HB ASP 37 1HB ASP 37 -9.849 -9.085 -3.548 759 HA PRO 38 HA PRO 38 -6.672 -5.264 -5.125 760 1HB PRO 38 2HB PRO 38 -5.033 -5.771 -7.239 761 2HB PRO 38 1HB PRO 38 -4.454 -5.579 -5.575 762 1HG PRO 38 2HG PRO 38 -4.956 -8.079 -7.122 763 2HG PRO 38 1HG PRO 38 -3.623 -7.688 -6.022 764 1HD PRO 38 1HD PRO 38 -5.722 -9.243 -5.300 765 2HD PRO 38 2HD PRO 38 -4.847 -8.207 -4.149 766 H SER 39 H SER 39 -8.173 -8.000 -6.520 767 HA SER 39 HA SER 39 -8.781 -7.214 -9.198 768 1HB SER 39 2HB SER 39 -9.394 -9.278 -7.529 769 2HB SER 39 1HB SER 39 -10.927 -8.419 -7.517 770 HG SER 39 HG SER 39 -11.102 -9.662 -9.274 771 H GLN 40 H GLN 40 -10.130 -6.259 -6.069 772 HA GLN 40 HA GLN 40 -12.165 -4.443 -7.253 773 1HB GLN 40 2HB GLN 40 -11.399 -4.771 -4.348 774 2HB GLN 40 1HB GLN 40 -12.944 -4.246 -5.003 775 1HG GLN 40 2HG GLN 40 -12.934 -6.657 -6.094 776 2HG GLN 40 1HG GLN 40 -11.786 -6.992 -4.795 777 1HE2 GLN 40 1HE2 GLN 40 -12.801 -5.548 -2.649 778 2HE2 GLN 40 2HE2 GLN 40 -14.366 -6.081 -2.268 779 H SER 41 H SER 41 -9.028 -3.968 -7.385 780 HA SER 41 HA SER 41 -8.202 -1.939 -5.633 781 1HB SER 41 2HB SER 41 -6.637 -1.346 -7.444 782 2HB SER 41 1HB SER 41 -6.733 -3.073 -7.153 783 HG SER 41 HG SER 41 -7.264 -3.243 -9.178 784 H ALA 42 H ALA 42 -10.054 -1.548 -8.695 785 HA ALA 42 HA ALA 42 -10.070 1.350 -8.691 786 1HB ALA 42 1HB ALA 42 -12.029 -0.691 -9.822 787 2HB ALA 42 3HB ALA 42 -11.961 1.011 -10.283 788 3HB ALA 42 2HB ALA 42 -10.610 -0.059 -10.658 789 H ASN 43 H ASN 43 -12.325 -1.131 -7.446 790 HA ASN 43 HA ASN 43 -14.259 0.639 -6.297 791 1HB ASN 43 2HB ASN 43 -14.523 -1.797 -6.881 792 2HB ASN 43 1HB ASN 43 -13.499 -2.188 -5.500 793 1HD2 ASN 43 1HD2 ASN 43 -14.500 -2.272 -3.451 794 2HD2 ASN 43 2HD2 ASN 43 -16.110 -1.814 -3.163 795 H LEU 44 H LEU 44 -11.166 -0.691 -5.111 796 HA LEU 44 HA LEU 44 -11.544 -0.027 -2.314 797 1HB LEU 44 2HB LEU 44 -9.365 -0.885 -4.166 798 2HB LEU 44 1HB LEU 44 -8.896 -0.240 -2.594 799 HG LEU 44 HG LEU 44 -11.126 -2.198 -2.595 800 1HD1 LEU 44 1HD1 LEU 44 -8.705 -2.802 -3.961 801 2HD1 LEU 44 3HD1 LEU 44 -8.655 -3.642 -2.410 802 3HD1 LEU 44 2HD1 LEU 44 -10.003 -3.921 -3.516 803 1HD2 LEU 44 3HD2 LEU 44 -8.898 -1.205 -0.880 804 2HD2 LEU 44 2HD2 LEU 44 -10.584 -1.561 -0.465 805 3HD2 LEU 44 1HD2 LEU 44 -9.418 -2.880 -0.630 806 H LEU 45 H LEU 45 -9.776 1.498 -4.937 807 HA LEU 45 HA LEU 45 -8.882 3.855 -3.584 808 1HB LEU 45 2HB LEU 45 -8.535 2.715 -6.035 809 2HB LEU 45 1HB LEU 45 -9.644 4.022 -6.451 810 HG LEU 45 HG LEU 45 -7.164 4.477 -4.789 811 1HD1 LEU 45 2HD1 LEU 45 -6.994 3.499 -7.273 812 2HD1 LEU 45 1HD1 LEU 45 -7.214 5.205 -7.671 813 3HD1 LEU 45 3HD1 LEU 45 -5.866 4.700 -6.653 814 1HD2 LEU 45 3HD2 LEU 45 -9.275 6.148 -6.076 815 2HD2 LEU 45 2HD2 LEU 45 -8.412 6.397 -4.557 816 3HD2 LEU 45 1HD2 LEU 45 -7.630 6.781 -6.088 817 H ALA 46 H ALA 46 -11.863 3.072 -5.362 818 HA ALA 46 HA ALA 46 -13.143 5.657 -5.160 819 1HB ALA 46 1HB ALA 46 -13.822 3.867 -6.717 820 2HB ALA 46 3HB ALA 46 -14.201 2.818 -5.353 821 3HB ALA 46 2HB ALA 46 -15.166 4.264 -5.648 822 H GLU 47 H GLU 47 -13.229 2.667 -3.176 823 HA GLU 47 HA GLU 47 -15.045 3.501 -1.161 824 1HB GLU 47 2HB GLU 47 -14.118 1.172 -1.626 825 2HB GLU 47 1HB GLU 47 -12.617 1.686 -0.849 826 1HG GLU 47 2HG GLU 47 -14.072 0.500 0.755 827 2HG GLU 47 1HG GLU 47 -13.870 2.185 1.229 828 H ALA 48 H ALA 48 -11.564 3.994 -1.557 829 HA ALA 48 HA ALA 48 -10.970 5.105 1.030 830 1HB ALA 48 3HB ALA 48 -8.919 4.899 0.072 831 2HB ALA 48 1HB ALA 48 -9.294 6.230 -1.022 832 3HB ALA 48 2HB ALA 48 -9.673 4.559 -1.493 833 H LYS 49 H LYS 49 -11.666 6.668 -2.133 834 HA LYS 49 HA LYS 49 -11.750 9.382 -1.153 835 1HB LYS 49 2HB LYS 49 -12.959 7.992 -3.570 836 2HB LYS 49 1HB LYS 49 -12.946 9.742 -3.359 837 1HG LYS 49 2HG LYS 49 -10.456 9.671 -3.187 838 2HG LYS 49 1HG LYS 49 -10.509 7.940 -3.511 839 1HD LYS 49 2HD LYS 49 -11.688 8.433 -5.669 840 2HD LYS 49 1HD LYS 49 -11.455 10.152 -5.357 841 1HE LYS 49 2HE LYS 49 -8.906 8.958 -4.993 842 2HE LYS 49 1HE LYS 49 -9.573 8.255 -6.477 843 1HZ LYS 49 1HZ LYS 49 -10.146 10.492 -7.233 844 2HZ LYS 49 3HZ LYS 49 -9.463 11.159 -5.830 845 3HZ LYS 49 2HZ LYS 49 -8.477 10.353 -6.953 846 H LYS 50 H LYS 50 -14.378 7.010 -1.799 847 HA LYS 50 HA LYS 50 -16.602 8.665 -1.067 848 1HB LYS 50 2HB LYS 50 -16.068 5.682 -1.051 849 2HB LYS 50 1HB LYS 50 -17.649 6.345 -0.638 850 1HG LYS 50 2HG LYS 50 -18.012 7.181 -2.800 851 2HG LYS 50 1HG LYS 50 -16.294 7.179 -3.196 852 1HD LYS 50 2HD LYS 50 -17.419 5.342 -4.372 853 2HD LYS 50 1HD LYS 50 -16.307 4.691 -3.174 854 1HE LYS 50 2HE LYS 50 -18.963 5.127 -2.024 855 2HE LYS 50 1HE LYS 50 -19.019 4.033 -3.418 856 1HZ LYS 50 3HZ LYS 50 -17.124 2.812 -2.448 857 2HZ LYS 50 2HZ LYS 50 -17.193 3.810 -1.072 858 3HZ LYS 50 1HZ LYS 50 -18.487 2.777 -1.439 859 H LEU 51 H LEU 51 -14.612 6.420 0.884 860 HA LEU 51 HA LEU 51 -16.054 6.751 3.355 861 1HB LEU 51 2HB LEU 51 -14.475 4.897 2.648 862 2HB LEU 51 1HB LEU 51 -13.133 6.003 2.937 863 HG LEU 51 HG LEU 51 -15.225 5.405 5.032 864 1HD1 LEU 51 2HD1 LEU 51 -13.901 3.349 4.126 865 2HD1 LEU 51 1HD1 LEU 51 -12.540 4.065 4.988 866 3HD1 LEU 51 3HD1 LEU 51 -13.993 3.604 5.869 867 1HD2 LEU 51 1HD2 LEU 51 -12.928 7.125 4.861 868 2HD2 LEU 51 3HD2 LEU 51 -14.123 7.003 6.143 869 3HD2 LEU 51 2HD2 LEU 51 -12.704 5.955 6.153 870 H ASN 52 H ASN 52 -13.224 8.483 1.967 871 HA ASN 52 HA ASN 52 -12.468 9.997 4.247 872 1HB ASN 52 2HB ASN 52 -10.999 10.836 2.743 873 2HB ASN 52 1HB ASN 52 -11.695 9.702 1.616 874 1HD2 ASN 52 1HD2 ASN 52 -10.467 12.490 1.256 875 2HD2 ASN 52 2HD2 ASN 52 -11.635 13.358 0.384 876 H ASP 53 H ASP 53 -15.157 10.457 1.982 877 HA ASP 53 HA ASP 53 -15.884 13.130 2.706 878 1HB ASP 53 2HB ASP 53 -16.583 11.713 0.695 879 2HB ASP 53 1HB ASP 53 -17.703 10.886 1.779 880 H ALA 54 H ALA 54 -16.583 9.952 4.176 881 HA ALA 54 HA ALA 54 -18.824 10.771 5.815 882 1HB ALA 54 2HB ALA 54 -17.867 8.450 5.075 883 2HB ALA 54 1HB ALA 54 -16.846 8.604 6.507 884 3HB ALA 54 3HB ALA 54 -18.602 8.591 6.675 885 H GLN 55 H GLN 55 -15.302 10.776 6.329 886 HA GLN 55 HA GLN 55 -15.525 11.672 9.135 887 1HB GLN 55 2HB GLN 55 -13.307 11.070 7.170 888 2HB GLN 55 1HB GLN 55 -12.968 11.662 8.786 889 1HG GLN 55 2HG GLN 55 -13.981 9.758 9.816 890 2HG GLN 55 1HG GLN 55 -14.707 9.239 8.295 891 1HE2 GLN 55 1HE2 GLN 55 -12.583 9.373 6.511 892 2HE2 GLN 55 2HE2 GLN 55 -11.347 8.319 7.007 893 H ALA 56 H ALA 56 -14.683 13.047 5.949 894 HA ALA 56 HA ALA 56 -14.922 15.801 7.089 895 1HB ALA 56 1HB ALA 56 -12.637 15.760 7.089 896 2HB ALA 56 2HB ALA 56 -12.816 16.006 5.352 897 3HB ALA 56 3HB ALA 56 -12.578 14.380 5.993 898 HA PRO 57 HA PRO 57 -17.113 16.440 3.273 899 1HB PRO 57 2HB PRO 57 -16.866 19.147 2.984 900 2HB PRO 57 1HB PRO 57 -17.929 18.398 4.190 901 1HG PRO 57 2HG PRO 57 -15.240 19.608 4.531 902 2HG PRO 57 1HG PRO 57 -16.645 19.656 5.607 903 1HD PRO 57 1HD PRO 57 -14.477 18.017 5.973 904 2HD PRO 57 2HD PRO 57 -16.103 17.674 6.602 905 H LYS 58 H LYS 58 -16.671 16.633 1.038 906 HA LYS 58 HA LYS 58 -13.837 16.657 0.237 907 1HB LYS 58 2HB LYS 58 -16.497 16.213 -1.131 908 2HB LYS 58 1HB LYS 58 -15.008 16.333 -2.067 909 1HG LYS 58 2HG LYS 58 -14.027 14.500 -0.703 910 2HG LYS 58 1HG LYS 58 -15.556 14.348 0.162 911 1HD LYS 58 2HD LYS 58 -16.718 13.794 -1.921 912 2HD LYS 58 1HD LYS 58 -15.232 14.032 -2.840 913 1HE LYS 58 2HE LYS 58 -15.279 12.047 -0.568 914 2HE LYS 58 1HE LYS 58 -15.892 11.584 -2.166 915 1HZ LYS 58 2HZ LYS 58 -13.239 12.860 -1.705 916 2HZ LYS 58 1HZ LYS 58 -13.469 11.191 -1.883 917 3HZ LYS 58 3HZ LYS 58 -13.830 12.229 -3.170 No H/Q in entry = 917 Start of MODEL 20 1 H1 VAL 1 3H VAL 1 7.776 -21.167 13.790 2 H2 VAL 1 2H VAL 1 7.057 -22.323 14.809 3 H3 VAL 1 1H VAL 1 8.127 -22.813 13.581 4 HA VAL 1 HA VAL 1 6.595 -22.244 11.863 5 HB VAL 1 HB VAL 1 5.310 -23.660 14.237 6 1HG1 VAL 1 1HG1 VAL 1 4.486 -23.520 11.324 7 2HG1 VAL 1 3HG1 VAL 1 3.929 -24.786 12.416 8 3HG1 VAL 1 2HG1 VAL 1 3.518 -23.102 12.739 9 1HG2 VAL 1 3HG2 VAL 1 6.958 -24.583 11.865 10 2HG2 VAL 1 2HG2 VAL 1 7.297 -24.822 13.581 11 3HG2 VAL 1 1HG2 VAL 1 5.969 -25.693 12.815 12 H ASP 2 H ASP 2 5.654 -20.318 11.303 13 HA ASP 2 HA ASP 2 3.336 -19.309 12.839 14 1HB ASP 2 2HB ASP 2 4.367 -17.100 13.197 15 2HB ASP 2 1HB ASP 2 5.348 -18.354 13.947 16 H ASN 3 H ASN 3 2.408 -17.290 11.683 17 HA ASN 3 HA ASN 3 2.739 -17.575 8.706 18 1HB ASN 3 2HB ASN 3 0.381 -17.141 10.545 19 2HB ASN 3 1HB ASN 3 0.273 -16.713 8.839 20 1HD2 ASN 3 1HD2 ASN 3 0.402 -19.414 11.096 21 2HD2 ASN 3 2HD2 ASN 3 0.199 -20.633 9.934 22 H LYS 4 H LYS 4 4.470 -15.790 10.010 23 HA LYS 4 HA LYS 4 3.511 -13.111 10.340 24 1HB LYS 4 2HB LYS 4 5.914 -12.507 10.141 25 2HB LYS 4 1HB LYS 4 5.678 -13.898 11.194 26 1HG LYS 4 2HG LYS 4 6.222 -15.372 9.197 27 2HG LYS 4 1HG LYS 4 6.654 -13.908 8.321 28 1HD LYS 4 2HD LYS 4 8.401 -13.389 9.906 29 2HD LYS 4 1HD LYS 4 7.903 -14.712 10.960 30 1HE LYS 4 2HE LYS 4 8.572 -15.405 8.124 31 2HE LYS 4 1HE LYS 4 9.916 -15.015 9.213 32 1HZ LYS 4 2HZ LYS 4 9.034 -16.599 10.821 33 2HZ LYS 4 1HZ LYS 4 7.749 -16.981 9.777 34 3HZ LYS 4 3HZ LYS 4 9.340 -17.371 9.341 35 H PHE 5 H PHE 5 4.913 -14.674 7.412 36 HA PHE 5 HA PHE 5 5.013 -12.407 5.748 37 1HB PHE 5 2HB PHE 5 4.545 -15.328 5.129 38 2HB PHE 5 1HB PHE 5 4.900 -14.121 3.897 39 HD1 PHE 5 HD1 PHE 5 6.805 -12.553 6.027 40 HD2 PHE 5 HD2 PHE 5 6.605 -16.563 4.472 41 HE1 PHE 5 HE1 PHE 5 9.225 -12.842 6.448 42 HE2 PHE 5 HE2 PHE 5 9.028 -16.843 4.909 43 HZ PHE 5 HZ PHE 5 10.336 -14.984 5.899 44 H ASN 6 H ASN 6 2.162 -14.300 6.656 45 HA ASN 6 HA ASN 6 0.377 -13.641 4.555 46 1HB ASN 6 2HB ASN 6 0.010 -14.017 7.543 47 2HB ASN 6 1HB ASN 6 -1.354 -13.829 6.443 48 1HD2 ASN 6 1HD2 ASN 6 -1.899 -15.630 5.063 49 2HD2 ASN 6 2HD2 ASN 6 -1.104 -17.124 5.158 50 H LYS 7 H LYS 7 0.761 -11.793 7.669 51 HA LYS 7 HA LYS 7 -0.489 -9.444 6.338 52 1HB LYS 7 2HB LYS 7 -1.310 -10.098 8.541 53 2HB LYS 7 1HB LYS 7 0.319 -9.915 9.221 54 1HG LYS 7 2HG LYS 7 -0.719 -7.571 7.746 55 2HG LYS 7 1HG LYS 7 -1.634 -7.973 9.194 56 1HD LYS 7 2HD LYS 7 1.338 -7.399 9.032 57 2HD LYS 7 1HD LYS 7 0.104 -6.368 9.743 58 1HE LYS 7 2HE LYS 7 0.435 -7.416 11.727 59 2HE LYS 7 1HE LYS 7 -0.136 -8.927 10.997 60 1HZ LYS 7 1HZ LYS 7 2.106 -9.269 10.087 61 2HZ LYS 7 3HZ LYS 7 2.643 -7.856 10.861 62 3HZ LYS 7 2HZ LYS 7 2.132 -9.187 11.784 63 H GLU 8 H GLU 8 2.760 -10.574 6.918 64 HA GLU 8 HA GLU 8 3.978 -7.991 7.395 65 1HB GLU 8 2HB GLU 8 4.957 -10.660 6.376 66 2HB GLU 8 1HB GLU 8 6.013 -9.246 6.349 67 1HG GLU 8 2HG GLU 8 4.592 -10.307 8.812 68 2HG GLU 8 1HG GLU 8 6.303 -10.562 8.424 69 H GLN 9 H GLN 9 3.106 -9.845 4.497 70 HA GLN 9 HA GLN 9 4.166 -8.038 2.545 71 1HB GLN 9 2HB GLN 9 1.762 -9.892 2.528 72 2HB GLN 9 1HB GLN 9 2.410 -9.101 1.098 73 1HG GLN 9 2HG GLN 9 4.527 -10.280 1.355 74 2HG GLN 9 1HG GLN 9 3.949 -11.040 2.839 75 1HE2 GLN 9 1HE2 GLN 9 2.553 -12.878 2.631 76 2HE2 GLN 9 2HE2 GLN 9 2.064 -13.502 1.132 77 H GLN 10 H GLN 10 1.160 -8.239 4.396 78 HA GLN 10 HA GLN 10 -0.333 -6.071 3.211 79 1HB GLN 10 2HB GLN 10 -0.547 -8.041 5.246 80 2HB GLN 10 1HB GLN 10 -0.849 -6.502 6.004 81 1HG GLN 10 2HG GLN 10 -2.968 -6.923 5.271 82 2HG GLN 10 1HG GLN 10 -2.340 -6.146 3.827 83 1HE2 GLN 10 1HE2 GLN 10 -4.104 -7.560 2.726 84 2HE2 GLN 10 2HE2 GLN 10 -3.697 -9.160 2.336 85 H ASN 11 H ASN 11 1.641 -6.254 6.196 86 HA ASN 11 HA ASN 11 1.402 -3.455 6.858 87 1HB ASN 11 2HB ASN 11 2.029 -5.486 8.334 88 2HB ASN 11 1HB ASN 11 3.651 -5.337 7.650 89 1HD2 ASN 11 1HD2 ASN 11 5.015 -3.715 8.534 90 2HD2 ASN 11 2HD2 ASN 11 4.503 -2.572 9.678 91 H ALA 12 H ALA 12 3.954 -5.383 5.238 92 HA ALA 12 HA ALA 12 5.812 -3.239 4.806 93 1HB ALA 12 2HB ALA 12 5.226 -5.883 3.455 94 2HB ALA 12 3HB ALA 12 6.570 -5.485 4.535 95 3HB ALA 12 1HB ALA 12 6.524 -4.818 2.899 96 H PHE 13 H PHE 13 3.146 -4.577 2.833 97 HA PHE 13 HA PHE 13 3.394 -2.910 0.524 98 1HB PHE 13 2HB PHE 13 1.890 -4.835 0.550 99 2HB PHE 13 1HB PHE 13 1.033 -4.215 1.956 100 HD1 PHE 13 HD1 PHE 13 -1.142 -3.657 1.348 101 HD2 PHE 13 HD2 PHE 13 2.099 -2.597 -1.245 102 HE1 PHE 13 HE1 PHE 13 -2.732 -2.568 -0.189 103 HE2 PHE 13 HE2 PHE 13 0.511 -1.514 -2.775 104 HZ PHE 13 HZ PHE 13 -1.902 -1.503 -2.246 105 H TYR 14 H TYR 14 1.285 -2.559 3.379 106 HA TYR 14 HA TYR 14 0.236 0.006 2.939 107 1HB TYR 14 2HB TYR 14 -0.433 -1.625 4.641 108 2HB TYR 14 1HB TYR 14 1.065 -1.324 5.521 109 HD1 TYR 14 HD1 TYR 14 -2.063 0.284 4.281 110 HD2 TYR 14 HD2 TYR 14 1.334 0.598 6.889 111 HE1 TYR 14 HE1 TYR 14 -3.091 2.134 5.375 112 HE2 TYR 14 HE2 TYR 14 0.304 2.556 7.976 113 HH TYR 14 HH TYR 14 -2.992 3.486 7.374 114 H GLU 15 H GLU 15 3.157 -0.831 4.901 115 HA GLU 15 HA GLU 15 3.927 1.849 5.517 116 1HB GLU 15 2HB GLU 15 5.470 -0.750 5.285 117 2HB GLU 15 1HB GLU 15 6.180 0.737 5.911 118 1HG GLU 15 2HG GLU 15 3.755 -0.693 7.063 119 2HG GLU 15 1HG GLU 15 5.369 -0.681 7.762 120 H ILE 16 H ILE 16 4.893 -0.290 2.762 121 HA ILE 16 HA ILE 16 6.757 1.481 1.503 122 HB ILE 16 HB ILE 16 4.920 -0.751 0.693 123 1HG1 ILE 16 2HG1 ILE 16 7.751 -0.559 -0.171 124 2HG1 ILE 16 1HG1 ILE 16 7.488 -0.580 1.568 125 1HG2 ILE 16 1HG2 ILE 16 6.233 1.105 -1.289 126 2HG2 ILE 16 3HG2 ILE 16 5.807 -0.559 -1.691 127 3HG2 ILE 16 2HG2 ILE 16 4.548 0.590 -1.240 128 1HD1 ILE 16 3HD1 ILE 16 5.860 -2.546 0.123 129 2HD1 ILE 16 2HD1 ILE 16 7.616 -2.804 -0.039 130 3HD1 ILE 16 1HD1 ILE 16 6.879 -2.742 1.559 131 H LEU 17 H LEU 17 3.203 1.270 1.161 132 HA LEU 17 HA LEU 17 2.897 3.542 -0.636 133 1HB LEU 17 2HB LEU 17 0.984 2.249 1.338 134 2HB LEU 17 1HB LEU 17 0.514 3.385 0.081 135 HG LEU 17 HG LEU 17 2.085 1.176 -0.984 136 1HD1 LEU 17 1HD1 LEU 17 0.262 0.470 1.025 137 2HD1 LEU 17 3HD1 LEU 17 -0.572 0.179 -0.509 138 3HD1 LEU 17 2HD1 LEU 17 0.981 -0.584 -0.185 139 1HD2 LEU 17 3HD2 LEU 17 0.353 2.933 -1.999 140 2HD2 LEU 17 2HD2 LEU 17 0.597 1.311 -2.694 141 3HD2 LEU 17 1HD2 LEU 17 -0.771 1.604 -1.602 142 H HIS 18 H HIS 18 2.707 3.221 2.934 143 HA HIS 18 HA HIS 18 1.973 6.044 3.301 144 1HB HIS 18 2HB HIS 18 2.475 3.667 5.098 145 2HB HIS 18 1HB HIS 18 2.191 5.275 5.764 146 HD1 HIS 18 HD1 HIS 18 -0.216 6.206 5.651 147 HD2 HIS 18 HD2 HIS 18 0.158 2.523 3.763 148 HE1 HIS 18 HE1 HIS 18 -2.549 5.388 5.035 149 H LEU 19 H LEU 19 5.017 4.639 2.717 150 HA LEU 19 HA LEU 19 6.627 6.031 4.688 151 1HB LEU 19 2HB LEU 19 7.064 4.623 2.072 152 2HB LEU 19 1HB LEU 19 8.353 5.669 2.658 153 HG LEU 19 HG LEU 19 7.096 3.437 4.289 154 1HD1 LEU 19 3HD1 LEU 19 9.564 3.541 2.555 155 2HD1 LEU 19 2HD1 LEU 19 9.450 2.416 3.912 156 3HD1 LEU 19 1HD1 LEU 19 8.291 2.320 2.585 157 1HD2 LEU 19 1HD2 LEU 19 8.569 5.647 5.129 158 2HD2 LEU 19 3HD2 LEU 19 8.340 4.150 6.030 159 3HD2 LEU 19 2HD2 LEU 19 9.770 4.362 5.020 160 HA PRO 20 HA PRO 20 5.886 10.115 3.041 161 1HB PRO 20 2HB PRO 20 7.818 11.432 4.480 162 2HB PRO 20 1HB PRO 20 6.252 10.931 5.152 163 1HG PRO 20 2HG PRO 20 8.907 9.573 5.336 164 2HG PRO 20 1HG PRO 20 7.700 9.859 6.603 165 1HD PRO 20 1HD PRO 20 7.922 7.474 5.413 166 2HD PRO 20 2HD PRO 20 6.337 8.128 5.882 167 H ASN 21 H ASN 21 8.994 8.448 2.678 168 HA ASN 21 HA ASN 21 9.852 10.558 0.728 169 1HB ASN 21 2HB ASN 21 11.381 8.459 2.261 170 2HB ASN 21 1HB ASN 21 12.117 9.603 1.152 171 1HD2 ASN 21 1HD2 ASN 21 11.592 12.006 1.733 172 2HD2 ASN 21 2HD2 ASN 21 11.555 12.395 3.383 173 H LEU 22 H LEU 22 8.264 7.607 0.639 174 HA LEU 22 HA LEU 22 9.768 6.490 -1.654 175 1HB LEU 22 2HB LEU 22 7.346 5.640 -0.046 176 2HB LEU 22 1HB LEU 22 7.753 4.837 -1.556 177 HG LEU 22 HG LEU 22 9.225 4.810 1.066 178 1HD1 LEU 22 1HD1 LEU 22 8.404 2.828 -1.057 179 2HD1 LEU 22 3HD1 LEU 22 9.569 2.399 0.202 180 3HD1 LEU 22 2HD1 LEU 22 7.925 2.873 0.639 181 1HD2 LEU 22 2HD2 LEU 22 10.482 4.463 -1.672 182 2HD2 LEU 22 1HD2 LEU 22 10.978 5.589 -0.389 183 3HD2 LEU 22 3HD2 LEU 22 11.207 3.848 -0.184 184 H ASN 23 H ASN 23 9.012 6.477 -3.741 185 HA ASN 23 HA ASN 23 6.669 8.264 -4.340 186 1HB ASN 23 2HB ASN 23 7.948 8.636 -6.540 187 2HB ASN 23 1HB ASN 23 8.639 9.354 -5.102 188 1HD2 ASN 23 1HD2 ASN 23 10.794 8.728 -4.555 189 2HD2 ASN 23 2HD2 ASN 23 11.647 7.502 -5.363 190 H GLU 24 H GLU 24 6.130 7.723 -6.893 191 HA GLU 24 HA GLU 24 4.761 5.206 -6.845 192 1HB GLU 24 2HB GLU 24 4.238 7.265 -8.222 193 2HB GLU 24 1HB GLU 24 5.582 6.826 -9.278 194 1HG GLU 24 2HG GLU 24 4.504 4.624 -9.703 195 2HG GLU 24 1HG GLU 24 3.146 5.114 -8.695 196 H GLU 25 H GLU 25 7.957 6.089 -8.196 197 HA GLU 25 HA GLU 25 8.411 3.583 -9.582 198 1HB GLU 25 2HB GLU 25 9.604 5.745 -9.978 199 2HB GLU 25 1HB GLU 25 10.380 5.576 -8.406 200 1HG GLU 25 2HG GLU 25 11.291 3.346 -9.197 201 2HG GLU 25 1HG GLU 25 10.696 3.757 -10.805 202 H GLN 26 H GLN 26 9.472 4.765 -6.344 203 HA GLN 26 HA GLN 26 10.765 2.254 -5.592 204 1HB GLN 26 2HB GLN 26 9.844 4.644 -3.971 205 2HB GLN 26 1HB GLN 26 10.914 3.377 -3.380 206 1HG GLN 26 2HG GLN 26 11.488 5.247 -5.705 207 2HG GLN 26 1HG GLN 26 12.220 5.331 -4.108 208 1HE2 GLN 26 1HE2 GLN 26 13.466 4.772 -6.858 209 2HE2 GLN 26 2HE2 GLN 26 14.316 3.320 -6.636 210 H ARG 27 H ARG 27 7.722 3.806 -4.493 211 HA ARG 27 HA ARG 27 6.876 1.732 -2.746 212 1HB ARG 27 2HB ARG 27 5.908 3.953 -2.736 213 2HB ARG 27 1HB ARG 27 5.390 3.794 -4.409 214 1HG ARG 27 2HG ARG 27 3.945 1.826 -3.614 215 2HG ARG 27 1HG ARG 27 4.265 2.401 -1.979 216 1HD ARG 27 2HD ARG 27 2.150 3.356 -2.828 217 2HD ARG 27 1HD ARG 27 3.353 4.640 -2.627 218 HE ARG 27 HE ARG 27 2.975 3.301 -5.288 219 1HH1 ARG 27 1HH1 ARG 27 4.494 5.898 -3.826 220 2HH1 ARG 27 2HH1 ARG 27 3.883 7.106 -4.903 221 1HH2 ARG 27 1HH2 ARG 27 1.630 4.972 -6.473 222 2HH2 ARG 27 2HH2 ARG 27 2.263 6.582 -6.405 223 H ASN 28 H ASN 28 5.960 2.262 -6.235 224 HA ASN 28 HA ASN 28 4.226 -0.028 -6.452 225 1HB ASN 28 2HB ASN 28 4.310 1.948 -7.966 226 2HB ASN 28 1HB ASN 28 5.857 1.390 -8.551 227 1HD2 ASN 28 1HD2 ASN 28 4.803 1.253 -10.728 228 2HD2 ASN 28 2HD2 ASN 28 3.847 -0.097 -11.106 229 H ALA 29 H ALA 29 7.699 0.420 -7.223 230 HA ALA 29 HA ALA 29 8.273 -2.162 -8.309 231 1HB ALA 29 1HB ALA 29 9.727 -0.087 -8.120 232 2HB ALA 29 2HB ALA 29 10.535 -1.605 -7.721 233 3HB ALA 29 3HB ALA 29 9.988 -0.531 -6.431 234 H PHE 30 H PHE 30 8.088 -0.962 -4.977 235 HA PHE 30 HA PHE 30 8.940 -3.353 -3.648 236 1HB PHE 30 2HB PHE 30 7.392 -0.867 -2.967 237 2HB PHE 30 1HB PHE 30 7.518 -2.170 -1.787 238 HD1 PHE 30 HD1 PHE 30 8.749 0.688 -1.635 239 HD2 PHE 30 HD2 PHE 30 10.326 -3.105 -2.864 240 HE1 PHE 30 HE1 PHE 30 11.021 1.392 -0.959 241 HE2 PHE 30 HE2 PHE 30 12.562 -2.404 -2.208 242 HZ PHE 30 HZ PHE 30 12.921 -0.201 -1.249 243 H ILE 31 H ILE 31 5.745 -2.091 -4.499 244 HA ILE 31 HA ILE 31 4.255 -4.332 -3.430 245 HB ILE 31 HB ILE 31 3.687 -2.246 -5.571 246 1HG1 ILE 31 2HG1 ILE 31 2.647 -2.375 -2.765 247 2HG1 ILE 31 1HG1 ILE 31 4.223 -1.674 -3.073 248 1HG2 ILE 31 3HG2 ILE 31 2.232 -4.599 -4.800 249 2HG2 ILE 31 2HG2 ILE 31 1.364 -3.154 -4.292 250 3HG2 ILE 31 1HG2 ILE 31 1.803 -3.368 -5.978 251 1HD1 ILE 31 1HD1 ILE 31 1.666 -0.819 -4.438 252 2HD1 ILE 31 3HD1 ILE 31 2.385 -0.005 -3.037 253 3HD1 ILE 31 2HD1 ILE 31 3.266 -0.045 -4.565 254 H GLN 32 H GLN 32 6.060 -3.805 -6.480 255 HA GLN 32 HA GLN 32 4.925 -6.126 -7.864 256 1HB GLN 32 2HB GLN 32 7.401 -4.398 -8.207 257 2HB GLN 32 1HB GLN 32 7.004 -5.716 -9.309 258 1HG GLN 32 2HG GLN 32 4.895 -4.682 -9.892 259 2HG GLN 32 1HG GLN 32 5.101 -3.443 -8.661 260 1HE2 GLN 32 1HE2 GLN 32 6.330 -4.572 -11.822 261 2HE2 GLN 32 2HE2 GLN 32 7.102 -3.114 -12.220 262 H SER 33 H SER 33 7.948 -5.515 -6.004 263 HA SER 33 HA SER 33 8.902 -8.268 -6.059 264 1HB SER 33 2HB SER 33 10.418 -7.349 -4.251 265 2HB SER 33 1HB SER 33 10.452 -6.469 -5.775 266 HG SER 33 HG SER 33 10.040 -4.837 -4.501 267 H LEU 34 H LEU 34 6.745 -6.449 -3.987 268 HA LEU 34 HA LEU 34 6.702 -8.334 -1.750 269 1HB LEU 34 2HB LEU 34 6.437 -5.832 -1.691 270 2HB LEU 34 1HB LEU 34 4.904 -6.010 -2.531 271 HG LEU 34 HG LEU 34 4.164 -7.472 -0.577 272 1HD1 LEU 34 1HD1 LEU 34 6.738 -6.345 0.511 273 2HD1 LEU 34 3HD1 LEU 34 5.438 -6.944 1.539 274 3HD1 LEU 34 2HD1 LEU 34 6.252 -8.038 0.418 275 1HD2 LEU 34 2HD2 LEU 34 3.547 -5.063 -0.905 276 2HD2 LEU 34 1HD2 LEU 34 3.637 -5.532 0.789 277 3HD2 LEU 34 3HD2 LEU 34 4.950 -4.617 0.060 278 H LYS 35 H LYS 35 4.415 -7.439 -4.404 279 HA LYS 35 HA LYS 35 2.356 -9.333 -3.704 280 1HB LYS 35 2HB LYS 35 3.072 -7.823 -6.243 281 2HB LYS 35 1HB LYS 35 1.716 -8.918 -6.194 282 1HG LYS 35 2HG LYS 35 2.059 -6.575 -4.363 283 2HG LYS 35 1HG LYS 35 1.083 -6.574 -5.817 284 1HD LYS 35 2HD LYS 35 0.626 -8.706 -3.743 285 2HD LYS 35 1HD LYS 35 -0.084 -7.107 -3.532 286 1HE LYS 35 2HE LYS 35 -1.345 -7.264 -5.511 287 2HE LYS 35 1HE LYS 35 -0.385 -8.629 -6.109 288 1HZ LYS 35 2HZ LYS 35 -1.143 -9.925 -4.166 289 2HZ LYS 35 1HZ LYS 35 -2.157 -8.635 -3.713 290 3HZ LYS 35 3HZ LYS 35 -2.436 -9.463 -5.167 291 H ASP 36 H ASP 36 5.260 -9.571 -5.757 292 HA ASP 36 HA ASP 36 4.603 -12.293 -6.673 293 1HB ASP 36 2HB ASP 36 6.876 -10.339 -7.044 294 2HB ASP 36 1HB ASP 36 6.997 -11.993 -7.638 295 H ASP 37 H ASP 37 6.936 -10.817 -4.342 296 HA ASP 37 HA ASP 37 7.651 -13.592 -3.437 297 1HB ASP 37 2HB ASP 37 9.355 -11.817 -4.394 298 2HB ASP 37 1HB ASP 37 9.257 -11.134 -2.770 299 HA PRO 38 HA PRO 38 5.201 -12.160 0.126 300 1HB PRO 38 2HB PRO 38 4.865 -14.660 1.195 301 2HB PRO 38 1HB PRO 38 3.876 -14.033 -0.140 302 1HG PRO 38 2HG PRO 38 6.236 -15.850 -0.244 303 2HG PRO 38 1HG PRO 38 4.692 -15.953 -1.110 304 1HD PRO 38 1HD PRO 38 6.917 -15.004 -2.279 305 2HD PRO 38 2HD PRO 38 5.297 -14.376 -2.660 306 H SER 39 H SER 39 7.909 -14.518 0.290 307 HA SER 39 HA SER 39 8.486 -14.201 3.091 308 1HB SER 39 2HB SER 39 10.194 -15.073 0.743 309 2HB SER 39 1HB SER 39 10.635 -15.301 2.432 310 HG SER 39 HG SER 39 9.322 -16.940 2.505 311 H GLN 40 H GLN 40 9.675 -12.398 0.236 312 HA GLN 40 HA GLN 40 11.726 -10.961 1.759 313 1HB GLN 40 2HB GLN 40 11.427 -11.567 -0.832 314 2HB GLN 40 1HB GLN 40 10.631 -9.991 -0.859 315 1HG GLN 40 2HG GLN 40 12.723 -9.152 0.426 316 2HG GLN 40 1HG GLN 40 13.479 -10.647 -0.125 317 1HE2 GLN 40 1HE2 GLN 40 13.239 -7.456 -0.972 318 2HE2 GLN 40 2HE2 GLN 40 13.388 -7.593 -2.657 319 H SER 41 H SER 41 8.356 -10.639 1.826 320 HA SER 41 HA SER 41 7.830 -7.915 1.429 321 1HB SER 41 2HB SER 41 5.895 -8.334 2.925 322 2HB SER 41 1HB SER 41 6.153 -9.683 1.827 323 HG SER 41 HG SER 41 6.570 -10.914 3.489 324 H ALA 42 H ALA 42 8.906 -9.376 4.598 325 HA ALA 42 HA ALA 42 8.844 -6.890 6.059 326 1HB ALA 42 2HB ALA 42 10.741 -9.233 6.247 327 2HB ALA 42 3HB ALA 42 9.171 -9.127 7.055 328 3HB ALA 42 1HB ALA 42 10.474 -8.023 7.503 329 H ASN 43 H ASN 43 11.513 -8.514 4.295 330 HA ASN 43 HA ASN 43 13.565 -6.563 4.597 331 1HB ASN 43 2HB ASN 43 12.811 -8.706 2.665 332 2HB ASN 43 1HB ASN 43 14.025 -7.534 2.137 333 1HD2 ASN 43 1HD2 ASN 43 15.857 -7.186 3.915 334 2HD2 ASN 43 2HD2 ASN 43 16.395 -8.588 4.707 335 H LEU 44 H LEU 44 10.890 -6.886 2.273 336 HA LEU 44 HA LEU 44 11.593 -4.720 0.540 337 1HB LEU 44 2HB LEU 44 9.085 -6.213 1.231 338 2HB LEU 44 1HB LEU 44 9.045 -4.852 0.103 339 HG LEU 44 HG LEU 44 10.887 -7.229 -0.119 340 1HD1 LEU 44 3HD1 LEU 44 8.232 -7.247 -0.534 341 2HD1 LEU 44 2HD1 LEU 44 8.776 -6.671 -2.112 342 3HD1 LEU 44 1HD1 LEU 44 9.360 -8.217 -1.483 343 1HD2 LEU 44 3HD2 LEU 44 10.845 -4.551 -1.262 344 2HD2 LEU 44 2HD2 LEU 44 12.054 -5.835 -1.418 345 3HD2 LEU 44 1HD2 LEU 44 10.675 -5.803 -2.529 346 H LEU 45 H LEU 45 9.541 -4.898 3.456 347 HA LEU 45 HA LEU 45 8.923 -2.055 3.303 348 1HB LEU 45 2HB LEU 45 7.535 -3.423 4.631 349 2HB LEU 45 1HB LEU 45 8.893 -4.119 5.504 350 HG LEU 45 HG LEU 45 9.313 -2.046 6.651 351 1HD1 LEU 45 3HD1 LEU 45 7.249 -0.866 4.765 352 2HD1 LEU 45 2HD1 LEU 45 7.891 -0.019 6.172 353 3HD1 LEU 45 1HD1 LEU 45 8.963 -0.457 4.841 354 1HD2 LEU 45 3HD2 LEU 45 7.364 -3.499 7.368 355 2HD2 LEU 45 2HD2 LEU 45 7.297 -1.825 7.923 356 3HD2 LEU 45 1HD2 LEU 45 6.306 -2.343 6.559 357 H ALA 46 H ALA 46 11.365 -3.996 5.139 358 HA ALA 46 HA ALA 46 12.772 -1.876 6.417 359 1HB ALA 46 2HB ALA 46 13.537 -4.518 5.136 360 2HB ALA 46 1HB ALA 46 14.780 -3.482 5.852 361 3HB ALA 46 3HB ALA 46 13.466 -4.105 6.859 362 H GLU 47 H GLU 47 13.274 -3.131 3.047 363 HA GLU 47 HA GLU 47 15.387 -1.232 2.516 364 1HB GLU 47 2HB GLU 47 15.139 -1.979 0.165 365 2HB GLU 47 1HB GLU 47 15.292 -3.322 1.288 366 1HG GLU 47 2HG GLU 47 12.774 -3.432 1.229 367 2HG GLU 47 1HG GLU 47 12.878 -2.345 -0.157 368 H ALA 48 H ALA 48 11.815 -1.250 2.049 369 HA ALA 48 HA ALA 48 11.692 1.278 0.662 370 1HB ALA 48 2HB ALA 48 9.991 -0.623 1.079 371 2HB ALA 48 1HB ALA 48 9.732 0.128 2.659 372 3HB ALA 48 3HB ALA 48 9.370 1.023 1.176 373 H LYS 49 H LYS 49 11.808 0.326 4.102 374 HA LYS 49 HA LYS 49 11.422 2.896 5.359 375 1HB LYS 49 2HB LYS 49 12.752 0.266 6.099 376 2HB LYS 49 1HB LYS 49 12.552 1.552 7.263 377 1HG LYS 49 2HG LYS 49 10.340 0.112 5.794 378 2HG LYS 49 1HG LYS 49 10.764 -0.117 7.479 379 1HD LYS 49 2HD LYS 49 9.881 2.513 6.299 380 2HD LYS 49 1HD LYS 49 8.791 1.372 7.079 381 1HE LYS 49 2HE LYS 49 9.862 1.602 9.185 382 2HE LYS 49 1HE LYS 49 11.276 2.389 8.459 383 1HZ LYS 49 2HZ LYS 49 8.507 3.495 8.423 384 2HZ LYS 49 1HZ LYS 49 9.740 4.009 9.472 385 3HZ LYS 49 3HZ LYS 49 9.900 4.249 7.801 386 H LYS 50 H LYS 50 14.123 0.953 4.272 387 HA LYS 50 HA LYS 50 16.357 2.551 5.078 388 1HB LYS 50 2HB LYS 50 16.732 0.287 4.539 389 2HB LYS 50 1HB LYS 50 15.666 0.356 3.156 390 1HG LYS 50 2HG LYS 50 17.549 1.981 2.203 391 2HG LYS 50 1HG LYS 50 18.551 1.074 3.339 392 1HD LYS 50 2HD LYS 50 16.688 -0.277 1.349 393 2HD LYS 50 1HD LYS 50 18.386 0.070 0.992 394 1HE LYS 50 2HE LYS 50 19.014 -1.243 3.072 395 2HE LYS 50 1HE LYS 50 17.308 -1.723 3.204 396 1HZ LYS 50 1HZ LYS 50 17.425 -2.545 0.906 397 2HZ LYS 50 3HZ LYS 50 19.077 -2.159 0.846 398 3HZ LYS 50 2HZ LYS 50 18.522 -3.355 1.915 399 H LEU 51 H LEU 51 14.316 2.425 2.157 400 HA LEU 51 HA LEU 51 15.764 4.397 0.603 401 1HB LEU 51 2HB LEU 51 13.244 2.856 0.538 402 2HB LEU 51 1HB LEU 51 13.149 4.413 -0.269 403 HG LEU 51 HG LEU 51 14.765 3.843 -1.850 404 1HD1 LEU 51 3HD1 LEU 51 15.726 1.927 0.239 405 2HD1 LEU 51 2HD1 LEU 51 16.023 1.527 -1.454 406 3HD1 LEU 51 1HD1 LEU 51 16.654 3.033 -0.780 407 1HD2 LEU 51 1HD2 LEU 51 13.066 1.516 -1.057 408 2HD2 LEU 51 3HD2 LEU 51 12.927 2.564 -2.469 409 3HD2 LEU 51 2HD2 LEU 51 14.202 1.344 -2.398 410 H ASN 52 H ASN 52 13.114 4.509 2.937 411 HA ASN 52 HA ASN 52 12.173 7.137 2.532 412 1HB ASN 52 2HB ASN 52 11.260 5.221 3.949 413 2HB ASN 52 1HB ASN 52 12.433 5.691 5.177 414 1HD2 ASN 52 1HD2 ASN 52 11.864 7.395 6.542 415 2HD2 ASN 52 2HD2 ASN 52 10.501 8.384 6.322 416 H ASP 53 H ASP 53 14.854 5.943 4.568 417 HA ASP 53 HA ASP 53 15.590 8.643 5.511 418 1HB ASP 53 2HB ASP 53 15.762 6.495 6.806 419 2HB ASP 53 1HB ASP 53 17.051 5.998 5.716 420 H ALA 54 H ALA 54 16.907 6.214 3.216 421 HA ALA 54 HA ALA 54 19.308 7.631 2.491 422 1HB ALA 54 2HB ALA 54 17.603 5.706 0.870 423 2HB ALA 54 1HB ALA 54 19.316 6.044 0.616 424 3HB ALA 54 3HB ALA 54 18.788 5.219 2.084 425 H GLN 55 H GLN 55 16.030 7.600 1.055 426 HA GLN 55 HA GLN 55 16.728 9.683 -0.935 427 1HB GLN 55 2HB GLN 55 14.121 8.287 -0.261 428 2HB GLN 55 1HB GLN 55 14.404 9.298 -1.671 429 1HG GLN 55 2HG GLN 55 16.137 7.721 -2.466 430 2HG GLN 55 1HG GLN 55 15.863 6.701 -1.052 431 1HE2 GLN 55 1HE2 GLN 55 13.123 6.566 -0.833 432 2HE2 GLN 55 2HE2 GLN 55 12.433 5.922 -2.243 433 H ALA 56 H ALA 56 16.062 9.827 2.338 434 HA ALA 56 HA ALA 56 13.971 11.780 2.558 435 1HB ALA 56 2HB ALA 56 16.137 11.834 4.556 436 2HB ALA 56 1HB ALA 56 14.412 11.556 4.781 437 3HB ALA 56 3HB ALA 56 15.459 10.224 4.274 438 HA PRO 57 HA PRO 57 16.038 15.494 1.481 439 1HB PRO 57 2HB PRO 57 14.626 17.305 2.962 440 2HB PRO 57 1HB PRO 57 13.934 16.470 1.557 441 1HG PRO 57 2HG PRO 57 13.616 15.870 4.453 442 2HG PRO 57 1HG PRO 57 12.404 15.848 3.162 443 1HD PRO 57 1HD PRO 57 13.593 13.619 4.161 444 2HD PRO 57 2HD PRO 57 12.977 13.742 2.497 445 H LYS 58 H LYS 58 17.952 14.533 2.800 446 HA LYS 58 HA LYS 58 18.898 16.538 4.731 447 1HB LYS 58 2HB LYS 58 19.169 14.922 6.570 448 2HB LYS 58 1HB LYS 58 17.479 15.020 6.089 449 1HG LYS 58 2HG LYS 58 17.839 12.983 4.653 450 2HG LYS 58 1HG LYS 58 19.461 12.851 5.330 451 1HD LYS 58 2HD LYS 58 18.398 12.802 7.627 452 2HD LYS 58 1HD LYS 58 16.833 12.670 6.822 453 1HE LYS 58 2HE LYS 58 17.243 10.416 6.959 454 2HE LYS 58 1HE LYS 58 18.243 10.708 5.526 455 1HZ LYS 58 1HZ LYS 58 20.125 11.190 7.003 456 2HZ LYS 58 3HZ LYS 58 19.166 10.823 8.355 457 3HZ LYS 58 2HZ LYS 58 19.545 9.609 7.229 458 H1 VAL 1 2H VAL 1 -0.991 -17.307 -16.023 459 H2 VAL 1 1H VAL 1 -2.222 -18.076 -16.900 460 H3 VAL 1 3H VAL 1 -2.433 -16.485 -16.366 461 HA VAL 1 HA VAL 1 -3.703 -17.979 -14.974 462 HB VAL 1 HB VAL 1 -2.360 -19.632 -13.568 463 1HG1 VAL 1 3HG1 VAL 1 -3.750 -20.171 -15.631 464 2HG1 VAL 1 2HG1 VAL 1 -2.235 -20.201 -16.535 465 3HG1 VAL 1 1HG1 VAL 1 -2.500 -21.345 -15.217 466 1HG2 VAL 1 2HG2 VAL 1 -0.098 -18.701 -13.985 467 2HG2 VAL 1 1HG2 VAL 1 -0.196 -20.392 -14.465 468 3HG2 VAL 1 3HG2 VAL 1 -0.242 -19.126 -15.690 469 H ASP 2 H ASP 2 -0.410 -16.731 -14.168 470 HA ASP 2 HA ASP 2 -1.298 -15.850 -11.500 471 1HB ASP 2 2HB ASP 2 0.991 -16.729 -12.015 472 2HB ASP 2 1HB ASP 2 1.264 -15.332 -13.057 473 H ASN 3 H ASN 3 -2.491 -14.008 -11.303 474 HA ASN 3 HA ASN 3 -1.929 -11.715 -13.166 475 1HB ASN 3 2HB ASN 3 -4.529 -12.779 -12.004 476 2HB ASN 3 1HB ASN 3 -4.406 -11.240 -12.857 477 1HD2 ASN 3 1HD2 ASN 3 -3.357 -11.454 -15.169 478 2HD2 ASN 3 2HD2 ASN 3 -3.785 -12.833 -16.062 479 H LYS 4 H LYS 4 -0.409 -10.914 -11.526 480 HA LYS 4 HA LYS 4 -1.500 -10.151 -8.872 481 1HB LYS 4 2HB LYS 4 1.218 -9.964 -10.213 482 2HB LYS 4 1HB LYS 4 0.906 -9.349 -8.589 483 1HG LYS 4 2HG LYS 4 0.132 -11.612 -7.903 484 2HG LYS 4 1HG LYS 4 0.528 -12.216 -9.510 485 1HD LYS 4 2HD LYS 4 2.888 -11.519 -9.165 486 2HD LYS 4 1HD LYS 4 2.478 -11.002 -7.530 487 1HE LYS 4 2HE LYS 4 2.747 -13.125 -6.784 488 2HE LYS 4 1HE LYS 4 1.498 -13.687 -7.907 489 1HZ LYS 4 1HZ LYS 4 3.221 -13.604 -9.687 490 2HZ LYS 4 3HZ LYS 4 4.387 -13.299 -8.494 491 3HZ LYS 4 2HZ LYS 4 3.531 -14.763 -8.487 492 H PHE 5 H PHE 5 -2.153 -8.095 -8.364 493 HA PHE 5 HA PHE 5 -2.174 -6.028 -10.499 494 1HB PHE 5 2HB PHE 5 -3.596 -6.538 -7.887 495 2HB PHE 5 1HB PHE 5 -3.786 -5.027 -8.753 496 HD1 PHE 5 HD1 PHE 5 -4.777 -5.014 -11.053 497 HD2 PHE 5 HD2 PHE 5 -4.638 -8.565 -8.637 498 HE1 PHE 5 HE1 PHE 5 -6.472 -6.077 -12.512 499 HE2 PHE 5 HE2 PHE 5 -6.333 -9.626 -10.097 500 HZ PHE 5 HZ PHE 5 -7.253 -8.383 -12.035 501 H ASN 6 H ASN 6 0.398 -6.484 -9.123 502 HA ASN 6 HA ASN 6 0.906 -4.738 -6.956 503 1HB ASN 6 2HB ASN 6 3.303 -4.731 -7.962 504 2HB ASN 6 1HB ASN 6 2.619 -6.261 -7.443 505 1HD2 ASN 6 1HD2 ASN 6 2.914 -7.912 -8.950 506 2HD2 ASN 6 2HD2 ASN 6 3.051 -7.691 -10.626 507 H LYS 7 H LYS 7 0.923 -4.002 -10.406 508 HA LYS 7 HA LYS 7 1.856 -1.291 -10.204 509 1HB LYS 7 2HB LYS 7 1.641 -2.796 -12.269 510 2HB LYS 7 1HB LYS 7 -0.085 -2.430 -12.233 511 1HG LYS 7 2HG LYS 7 1.254 0.062 -12.002 512 2HG LYS 7 1HG LYS 7 2.086 -0.826 -13.276 513 1HD LYS 7 2HD LYS 7 0.401 0.057 -14.560 514 2HD LYS 7 1HD LYS 7 -0.456 -1.371 -13.987 515 1HE LYS 7 2HE LYS 7 -0.657 0.804 -12.047 516 2HE LYS 7 1HE LYS 7 -1.271 1.297 -13.635 517 1HZ LYS 7 3HZ LYS 7 -1.986 -1.267 -12.301 518 2HZ LYS 7 2HZ LYS 7 -2.947 0.132 -12.247 519 3HZ LYS 7 1HZ LYS 7 -2.652 -0.639 -13.731 520 H GLU 8 H GLU 8 -1.356 -2.725 -10.002 521 HA GLU 8 HA GLU 8 -2.777 -0.229 -9.886 522 1HB GLU 8 2HB GLU 8 -3.350 -3.075 -9.678 523 2HB GLU 8 1HB GLU 8 -4.298 -2.142 -8.521 524 1HG GLU 8 2HG GLU 8 -4.152 -1.710 -11.509 525 2HG GLU 8 1HG GLU 8 -5.534 -2.289 -10.588 526 H LEU 9 H LEU 9 -1.332 -2.281 -7.388 527 HA LEU 9 HA LEU 9 -2.529 -0.867 -5.180 528 1HB LEU 9 2HB LEU 9 0.171 -2.191 -5.090 529 2HB LEU 9 1HB LEU 9 -0.940 -1.912 -3.802 530 HG LEU 9 HG LEU 9 -1.783 -3.646 -6.086 531 1HD1 LEU 9 2HD1 LEU 9 0.158 -4.228 -3.915 532 2HD1 LEU 9 1HD1 LEU 9 -1.113 -5.435 -4.130 533 3HD1 LEU 9 3HD1 LEU 9 -0.030 -5.040 -5.472 534 1HD2 LEU 9 2HD2 LEU 9 -2.634 -3.153 -3.225 535 2HD2 LEU 9 1HD2 LEU 9 -3.600 -2.988 -4.690 536 3HD2 LEU 9 3HD2 LEU 9 -3.151 -4.592 -4.095 537 H SER 10 H SER 10 0.192 -0.103 -7.277 538 HA SER 10 HA SER 10 1.451 1.848 -5.545 539 1HB SER 10 2HB SER 10 2.680 1.084 -7.384 540 2HB SER 10 1HB SER 10 1.339 1.258 -8.495 541 HG SER 10 HG SER 10 2.231 3.118 -8.931 542 H VAL 11 H VAL 11 -1.012 2.077 -8.151 543 HA VAL 11 HA VAL 11 -1.570 4.928 -7.648 544 HB VAL 11 HB VAL 11 -3.082 2.893 -9.334 545 1HG1 VAL 11 1HG1 VAL 11 -2.876 5.907 -9.325 546 2HG1 VAL 11 3HG1 VAL 11 -3.466 5.013 -10.726 547 3HG1 VAL 11 2HG1 VAL 11 -4.324 4.913 -9.189 548 1HG2 VAL 11 3HG2 VAL 11 -0.628 4.550 -10.032 549 2HG2 VAL 11 2HG2 VAL 11 -0.725 2.786 -9.972 550 3HG2 VAL 11 1HG2 VAL 11 -1.611 3.680 -11.215 551 H ALA 12 H ALA 12 -3.516 1.924 -7.437 552 HA ALA 12 HA ALA 12 -5.792 2.994 -6.106 553 1HB ALA 12 1HB ALA 12 -5.337 0.716 -7.336 554 2HB ALA 12 2HB ALA 12 -6.465 0.737 -5.980 555 3HB ALA 12 3HB ALA 12 -4.811 0.162 -5.738 556 H GLY 13 H GLY 13 -2.971 1.341 -4.791 557 1HA GLY 13 1HA GLY 13 -2.150 1.115 -2.636 558 2HA GLY 13 2HA GLY 13 -3.789 1.394 -2.059 559 H ARG 14 H ARG 14 -1.278 3.380 -3.684 560 HA ARG 14 HA ARG 14 -0.759 5.002 -1.434 561 1HB ARG 14 2HB ARG 14 0.183 4.792 -3.996 562 2HB ARG 14 1HB ARG 14 -0.540 6.394 -4.034 563 1HG ARG 14 2HG ARG 14 1.534 5.358 -2.080 564 2HG ARG 14 1HG ARG 14 1.785 6.573 -3.329 565 1HD ARG 14 2HD ARG 14 0.391 8.163 -2.175 566 2HD ARG 14 1HD ARG 14 -0.172 6.916 -1.042 567 HE ARG 14 HE ARG 14 2.306 6.680 -0.405 568 1HH1 ARG 14 1HH1 ARG 14 0.847 9.107 0.764 569 2HH1 ARG 14 2HH1 ARG 14 2.008 10.361 0.488 570 1HH2 ARG 14 1HH2 ARG 14 3.860 8.498 -1.806 571 2HH2 ARG 14 2HH2 ARG 14 3.728 10.014 -0.977 572 H GLU 15 H GLU 15 -3.285 5.524 -3.968 573 HA GLU 15 HA GLU 15 -4.077 8.153 -3.028 574 1HB GLU 15 2HB GLU 15 -5.446 5.961 -4.607 575 2HB GLU 15 1HB GLU 15 -6.227 7.506 -4.272 576 1HG GLU 15 2HG GLU 15 -4.239 8.659 -5.301 577 2HG GLU 15 1HG GLU 15 -3.629 7.075 -5.775 578 H ILE 16 H ILE 16 -5.150 4.842 -2.236 579 HA ILE 16 HA ILE 16 -7.202 5.543 -0.321 580 HB ILE 16 HB ILE 16 -5.521 3.070 -0.877 581 1HG1 ILE 16 2HG1 ILE 16 -8.476 3.540 -1.339 582 2HG1 ILE 16 1HG1 ILE 16 -7.274 4.013 -2.530 583 1HG2 ILE 16 2HG2 ILE 16 -7.752 3.494 1.124 584 2HG2 ILE 16 1HG2 ILE 16 -7.411 1.900 0.441 585 3HG2 ILE 16 3HG2 ILE 16 -6.176 2.744 1.385 586 1HD1 ILE 16 2HD1 ILE 16 -6.503 1.445 -2.026 587 2HD1 ILE 16 1HD1 ILE 16 -8.249 1.323 -1.791 588 3HD1 ILE 16 3HD1 ILE 16 -7.607 1.915 -3.325 589 H VAL 17 H VAL 17 -3.705 5.271 -0.184 590 HA VAL 17 HA VAL 17 -3.318 5.093 2.673 591 HB VAL 17 HB VAL 17 -1.669 5.817 0.252 592 1HG1 VAL 17 1HG1 VAL 17 -1.015 6.539 3.024 593 2HG1 VAL 17 3HG1 VAL 17 0.226 5.592 2.209 594 3HG1 VAL 17 2HG1 VAL 17 -0.318 7.118 1.514 595 1HG2 VAL 17 1HG2 VAL 17 -2.107 3.507 1.986 596 2HG2 VAL 17 3HG2 VAL 17 -1.487 3.592 0.324 597 3HG2 VAL 17 2HG2 VAL 17 -0.399 3.855 1.685 598 H THR 18 H THR 18 -3.596 7.882 0.406 599 HA THR 18 HA THR 18 -3.762 9.638 2.817 600 HB THR 18 HB THR 18 -1.446 9.490 1.924 601 HG1 THR 18 HG1 THR 18 -1.181 11.526 2.363 602 1HG2 THR 18 1HG2 THR 18 -2.743 10.593 -0.580 603 2HG2 THR 18 3HG2 THR 18 -1.012 10.714 -0.264 604 3HG2 THR 18 2HG2 THR 18 -1.771 9.131 -0.420 605 H LEU 19 H LEU 19 -6.063 8.855 1.018 606 HA LEU 19 HA LEU 19 -6.568 11.049 -0.808 607 1HB LEU 19 2HB LEU 19 -8.977 10.300 -0.559 608 2HB LEU 19 1HB LEU 19 -7.841 9.054 -1.046 609 HG LEU 19 HG LEU 19 -8.113 9.221 1.858 610 1HD1 LEU 19 1HD1 LEU 19 -10.523 8.874 0.085 611 2HD1 LEU 19 3HD1 LEU 19 -10.443 8.112 1.671 612 3HD1 LEU 19 2HD1 LEU 19 -10.350 9.864 1.532 613 1HD2 LEU 19 2HD2 LEU 19 -8.380 7.107 -0.299 614 2HD2 LEU 19 1HD2 LEU 19 -7.091 7.279 0.888 615 3HD2 LEU 19 3HD2 LEU 19 -8.691 6.746 1.398 616 HA PRO 20 HA PRO 20 -7.299 14.591 1.511 617 1HB PRO 20 2HB PRO 20 -9.717 15.580 0.647 618 2HB PRO 20 1HB PRO 20 -8.192 15.672 -0.260 619 1HG PRO 20 2HG PRO 20 -10.399 13.665 -0.485 620 2HG PRO 20 1HG PRO 20 -9.546 14.541 -1.770 621 1HD PRO 20 1HD PRO 20 -8.889 12.033 -1.217 622 2HD PRO 20 2HD PRO 20 -7.617 13.233 -1.559 623 H ASN 21 H ASN 21 -10.087 12.356 1.987 624 HA ASN 21 HA ASN 21 -10.539 13.805 4.597 625 1HB ASN 21 2HB ASN 21 -12.511 12.452 2.763 626 2HB ASN 21 1HB ASN 21 -12.920 13.115 4.327 627 1HD2 ASN 21 1HD2 ASN 21 -14.100 13.997 1.852 628 2HD2 ASN 21 2HD2 ASN 21 -13.653 15.622 1.621 629 H LEU 22 H LEU 22 -9.169 10.949 3.700 630 HA LEU 22 HA LEU 22 -10.755 9.200 5.498 631 1HB LEU 22 2HB LEU 22 -9.515 8.670 3.226 632 2HB LEU 22 1HB LEU 22 -8.155 8.404 4.303 633 HG LEU 22 HG LEU 22 -10.078 7.026 5.626 634 1HD1 LEU 22 3HD1 LEU 22 -11.671 7.533 3.706 635 2HD1 LEU 22 2HD1 LEU 22 -10.648 6.511 2.696 636 3HD1 LEU 22 1HD1 LEU 22 -11.477 5.822 4.091 637 1HD2 LEU 22 2HD2 LEU 22 -8.014 6.326 3.581 638 2HD2 LEU 22 1HD2 LEU 22 -8.115 5.874 5.288 639 3HD2 LEU 22 3HD2 LEU 22 -9.122 5.049 4.097 640 H ASN 23 H ASN 23 -9.803 8.088 7.252 641 HA ASN 23 HA ASN 23 -7.614 9.598 8.641 642 1HB ASN 23 2HB ASN 23 -8.619 8.772 10.719 643 2HB ASN 23 1HB ASN 23 -9.838 9.563 9.733 644 1HD2 ASN 23 1HD2 ASN 23 -11.044 8.015 11.496 645 2HD2 ASN 23 2HD2 ASN 23 -11.500 6.502 10.877 646 H ASP 24 H ASP 24 -6.064 8.294 9.938 647 HA ASP 24 HA ASP 24 -4.727 6.362 8.445 648 1HB ASP 24 2HB ASP 24 -3.334 6.033 10.419 649 2HB ASP 24 1HB ASP 24 -3.717 7.731 10.182 650 HA PRO 25 HA PRO 25 -6.511 2.736 11.072 651 1HB PRO 25 2HB PRO 25 -9.143 2.923 11.821 652 2HB PRO 25 1HB PRO 25 -7.788 3.378 12.877 653 1HG PRO 25 2HG PRO 25 -9.551 5.110 11.212 654 2HG PRO 25 1HG PRO 25 -8.950 5.366 12.858 655 1HD PRO 25 1HD PRO 25 -7.864 6.589 10.721 656 2HD PRO 25 2HD PRO 25 -6.912 6.125 12.139 657 H GLN 26 H GLN 26 -8.929 4.561 9.097 658 HA GLN 26 HA GLN 26 -10.112 2.228 7.885 659 1HB GLN 26 2HB GLN 26 -10.001 5.172 7.222 660 2HB GLN 26 1HB GLN 26 -10.864 4.028 6.194 661 1HG GLN 26 2HG GLN 26 -12.353 3.409 7.933 662 2HG GLN 26 1HG GLN 26 -11.349 4.143 9.176 663 1HE2 GLN 26 1HE2 GLN 26 -12.086 5.815 6.124 664 2HE2 GLN 26 2HE2 GLN 26 -13.099 6.972 6.816 665 H LYS 27 H LYS 27 -7.584 4.500 6.641 666 HA LYS 27 HA LYS 27 -7.144 3.174 4.162 667 1HB LYS 27 2HB LYS 27 -4.755 4.119 4.426 668 2HB LYS 27 1HB LYS 27 -6.108 5.246 4.301 669 1HG LYS 27 2HG LYS 27 -6.040 5.253 6.901 670 2HG LYS 27 1HG LYS 27 -4.459 4.520 6.715 671 1HD LYS 27 2HD LYS 27 -4.157 6.916 6.855 672 2HD LYS 27 1HD LYS 27 -3.834 6.414 5.206 673 1HE LYS 27 2HE LYS 27 -5.861 7.308 4.386 674 2HE LYS 27 1HE LYS 27 -6.593 7.360 5.998 675 1HZ LYS 27 3HZ LYS 27 -4.942 9.006 6.660 676 2HZ LYS 27 2HZ LYS 27 -4.251 8.967 5.104 677 3HZ LYS 27 1HZ LYS 27 -5.828 9.556 5.322 678 H LYS 28 H LYS 28 -5.754 2.481 7.374 679 HA LYS 28 HA LYS 28 -3.789 0.571 6.534 680 1HB LYS 28 2HB LYS 28 -5.429 1.080 9.036 681 2HB LYS 28 1HB LYS 28 -4.537 -0.436 8.937 682 1HG LYS 28 2HG LYS 28 -2.872 1.701 8.071 683 2HG LYS 28 1HG LYS 28 -3.532 2.120 9.635 684 1HD LYS 28 2HD LYS 28 -1.549 0.929 10.127 685 2HD LYS 28 1HD LYS 28 -2.826 -0.274 10.326 686 1HE LYS 28 2HE LYS 28 -2.250 -1.398 8.372 687 2HE LYS 28 1HE LYS 28 -1.540 0.044 7.617 688 1HZ LYS 28 2HZ LYS 28 0.218 -0.025 9.336 689 2HZ LYS 28 1HZ LYS 28 -0.427 -1.481 9.931 690 3HZ LYS 28 3HZ LYS 28 0.218 -1.417 8.365 691 H ALA 29 H ALA 29 -7.149 -0.049 7.778 692 HA ALA 29 HA ALA 29 -7.282 -2.826 7.056 693 1HB ALA 29 1HB ALA 29 -9.731 -2.447 7.308 694 2HB ALA 29 2HB ALA 29 -9.450 -0.706 7.285 695 3HB ALA 29 3HB ALA 29 -8.821 -1.684 8.610 696 H PHE 30 H PHE 30 -7.911 0.132 5.213 697 HA PHE 30 HA PHE 30 -9.202 -1.012 2.913 698 1HB PHE 30 2HB PHE 30 -8.243 1.516 3.880 699 2HB PHE 30 1HB PHE 30 -7.619 1.288 2.260 700 HD1 PHE 30 HD1 PHE 30 -9.258 0.475 0.472 701 HD2 PHE 30 HD2 PHE 30 -10.444 2.244 4.198 702 HE1 PHE 30 HE1 PHE 30 -11.484 1.003 -0.476 703 HE2 PHE 30 HE2 PHE 30 -12.668 2.778 3.246 704 HZ PHE 30 HZ PHE 30 -13.186 2.157 0.912 705 H ILE 31 H ILE 31 -5.802 -0.084 3.475 706 HA ILE 31 HA ILE 31 -4.836 -1.039 0.933 707 HB ILE 31 HB ILE 31 -3.705 -0.254 3.605 708 1HG1 ILE 31 2HG1 ILE 31 -4.050 0.870 0.895 709 2HG1 ILE 31 1HG1 ILE 31 -3.952 1.695 2.455 710 1HG2 ILE 31 1HG2 ILE 31 -2.383 -2.262 2.460 711 2HG2 ILE 31 3HG2 ILE 31 -1.802 -0.981 1.384 712 3HG2 ILE 31 2HG2 ILE 31 -1.516 -0.887 3.122 713 1HD1 ILE 31 2HD1 ILE 31 -1.523 0.452 1.237 714 2HD1 ILE 31 1HD1 ILE 31 -2.078 2.022 0.712 715 3HD1 ILE 31 3HD1 ILE 31 -1.646 1.776 2.411 716 H PHE 32 H PHE 32 -5.050 -2.455 4.202 717 HA PHE 32 HA PHE 32 -3.690 -4.894 3.585 718 1HB PHE 32 2HB PHE 32 -5.573 -3.900 5.719 719 2HB PHE 32 1HB PHE 32 -5.144 -5.610 5.680 720 HD1 PHE 32 HD1 PHE 32 -3.270 -2.229 5.278 721 HD2 PHE 32 HD2 PHE 32 -3.270 -6.262 7.039 722 HE1 PHE 32 HE1 PHE 32 -1.159 -1.806 6.394 723 HE2 PHE 32 HE2 PHE 32 -1.131 -5.736 8.067 724 HZ PHE 32 HZ PHE 32 -0.077 -3.584 7.721 725 H SER 33 H SER 33 -7.107 -3.827 3.059 726 HA SER 33 HA SER 33 -7.927 -6.527 2.158 727 1HB SER 33 2HB SER 33 -10.044 -5.421 1.649 728 2HB SER 33 1HB SER 33 -9.488 -4.862 3.214 729 HG SER 33 HG SER 33 -9.701 -2.963 2.367 730 H LEU 34 H LEU 34 -6.678 -3.509 0.755 731 HA LEU 34 HA LEU 34 -7.083 -4.044 -2.056 732 1HB LEU 34 2HB LEU 34 -6.481 -1.847 -1.043 733 2HB LEU 34 1HB LEU 34 -4.925 -2.483 -0.572 734 HG LEU 34 HG LEU 34 -4.652 -2.982 -3.102 735 1HD1 LEU 34 1HD1 LEU 34 -7.068 -1.223 -3.020 736 2HD1 LEU 34 3HD1 LEU 34 -5.910 -1.006 -4.334 737 3HD1 LEU 34 2HD1 LEU 34 -6.697 -2.567 -4.101 738 1HD2 LEU 34 3HD2 LEU 34 -3.719 -1.010 -1.506 739 2HD2 LEU 34 2HD2 LEU 34 -3.390 -1.049 -3.244 740 3HD2 LEU 34 1HD2 LEU 34 -4.694 -0.042 -2.617 741 H TRP 35 H TRP 35 -4.423 -4.766 0.214 742 HA TRP 35 HA TRP 35 -2.601 -5.960 -1.657 743 1HB TRP 35 2HB TRP 35 -2.100 -5.127 0.647 744 2HB TRP 35 1HB TRP 35 -2.959 -6.524 1.302 745 HD1 TRP 35 HD1 TRP 35 -1.589 -8.683 1.536 746 HE1 TRP 35 HE1 TRP 35 0.638 -9.533 0.599 747 HE3 TRP 35 HE3 TRP 35 -0.439 -4.846 -1.589 748 HZ2 TRP 35 HZ2 TRP 35 2.662 -8.679 -1.246 749 HZ3 TRP 35 HZ3 TRP 35 1.629 -4.903 -2.925 750 HH2 TRP 35 HH2 TRP 35 3.152 -6.800 -2.757 751 H ASP 36 H ASP 36 -5.100 -7.377 0.502 752 HA ASP 36 HA ASP 36 -4.589 -10.132 -0.204 753 1HB ASP 36 2HB ASP 36 -5.750 -9.057 1.867 754 2HB ASP 36 1HB ASP 36 -7.190 -9.007 0.852 755 H ASP 37 H ASP 37 -6.976 -7.690 -1.305 756 HA ASP 37 HA ASP 37 -7.554 -9.454 -3.627 757 1HB ASP 37 2HB ASP 37 -9.567 -7.810 -2.055 758 2HB ASP 37 1HB ASP 37 -9.931 -8.916 -3.375 759 HA PRO 38 HA PRO 38 -6.524 -5.085 -4.939 760 1HB PRO 38 2HB PRO 38 -4.619 -5.704 -6.758 761 2HB PRO 38 1HB PRO 38 -4.274 -5.420 -5.049 762 1HG PRO 38 2HG PRO 38 -4.546 -8.006 -6.504 763 2HG PRO 38 1HG PRO 38 -3.390 -7.536 -5.250 764 1HD PRO 38 1HD PRO 38 -5.579 -9.063 -4.744 765 2HD PRO 38 2HD PRO 38 -4.853 -7.968 -3.545 766 H SER 39 H SER 39 -7.848 -7.916 -6.314 767 HA SER 39 HA SER 39 -8.106 -7.223 -9.099 768 1HB SER 39 2HB SER 39 -8.852 -9.298 -7.449 769 2HB SER 39 1HB SER 39 -10.403 -8.517 -7.724 770 HG SER 39 HG SER 39 -10.258 -8.934 -9.839 771 H GLN 40 H GLN 40 -9.817 -6.314 -6.137 772 HA GLN 40 HA GLN 40 -11.745 -4.536 -7.546 773 1HB GLN 40 2HB GLN 40 -11.418 -4.774 -4.562 774 2HB GLN 40 1HB GLN 40 -12.889 -4.499 -5.486 775 1HG GLN 40 2HG GLN 40 -12.276 -6.971 -6.373 776 2HG GLN 40 1HG GLN 40 -11.505 -7.029 -4.784 777 1HE2 GLN 40 1HE2 GLN 40 -13.259 -5.595 -3.162 778 2HE2 GLN 40 2HE2 GLN 40 -14.790 -6.325 -3.164 779 H SER 41 H SER 41 -8.618 -4.042 -7.219 780 HA SER 41 HA SER 41 -8.096 -2.028 -5.325 781 1HB SER 41 2HB SER 41 -6.240 -1.439 -6.847 782 2HB SER 41 1HB SER 41 -6.392 -3.167 -6.576 783 HG SER 41 HG SER 41 -6.919 -1.640 -8.864 784 H ALA 42 H ALA 42 -9.427 -1.648 -8.643 785 HA ALA 42 HA ALA 42 -9.439 1.244 -8.671 786 1HB ALA 42 3HB ALA 42 -11.219 -0.821 -10.035 787 2HB ALA 42 2HB ALA 42 -11.120 0.880 -10.493 788 3HB ALA 42 1HB ALA 42 -9.713 -0.168 -10.682 789 H ASN 43 H ASN 43 -11.847 -1.221 -7.705 790 HA ASN 43 HA ASN 43 -13.900 0.583 -6.840 791 1HB ASN 43 2HB ASN 43 -14.166 -1.842 -7.425 792 2HB ASN 43 1HB ASN 43 -13.294 -2.256 -5.950 793 1HD2 ASN 43 1HD2 ASN 43 -16.233 -0.458 -7.051 794 2HD2 ASN 43 2HD2 ASN 43 -17.115 -0.750 -5.629 795 H LEU 44 H LEU 44 -11.044 -0.840 -5.212 796 HA LEU 44 HA LEU 44 -11.738 -0.132 -2.501 797 1HB LEU 44 2HB LEU 44 -9.419 -1.074 -4.074 798 2HB LEU 44 1HB LEU 44 -8.996 -0.174 -2.622 799 HG LEU 44 HG LEU 44 -11.154 -2.143 -2.242 800 1HD1 LEU 44 3HD1 LEU 44 -8.667 -2.900 -3.571 801 2HD1 LEU 44 2HD1 LEU 44 -8.873 -3.738 -2.029 802 3HD1 LEU 44 1HD1 LEU 44 -10.116 -3.871 -3.277 803 1HD2 LEU 44 1HD2 LEU 44 -8.682 -1.123 -0.841 804 2HD2 LEU 44 3HD2 LEU 44 -10.368 -1.111 -0.302 805 3HD2 LEU 44 2HD2 LEU 44 -9.445 -2.622 -0.290 806 H LEU 45 H LEU 45 -9.758 1.431 -4.936 807 HA LEU 45 HA LEU 45 -8.983 3.775 -3.523 808 1HB LEU 45 2HB LEU 45 -8.559 2.663 -6.016 809 2HB LEU 45 1HB LEU 45 -9.569 4.051 -6.414 810 HG LEU 45 HG LEU 45 -6.943 4.071 -4.911 811 1HD1 LEU 45 3HD1 LEU 45 -7.250 3.998 -7.549 812 2HD1 LEU 45 2HD1 LEU 45 -7.571 5.718 -7.327 813 3HD1 LEU 45 1HD1 LEU 45 -6.035 5.032 -6.801 814 1HD2 LEU 45 1HD2 LEU 45 -9.164 6.040 -5.048 815 2HD2 LEU 45 3HD2 LEU 45 -7.952 5.788 -3.792 816 3HD2 LEU 45 2HD2 LEU 45 -7.539 6.683 -5.256 817 H ALA 46 H ALA 46 -11.785 3.095 -5.632 818 HA ALA 46 HA ALA 46 -13.100 5.650 -5.405 819 1HB ALA 46 1HB ALA 46 -15.042 4.307 -6.193 820 2HB ALA 46 3HB ALA 46 -13.581 3.904 -7.097 821 3HB ALA 46 2HB ALA 46 -14.149 2.831 -5.818 822 H GLU 47 H GLU 47 -13.385 2.585 -3.588 823 HA GLU 47 HA GLU 47 -15.395 3.302 -1.724 824 1HB GLU 47 2HB GLU 47 -14.130 1.051 -2.318 825 2HB GLU 47 1HB GLU 47 -13.045 1.543 -1.020 826 1HG GLU 47 2HG GLU 47 -14.756 0.155 -0.034 827 2HG GLU 47 1HG GLU 47 -15.110 1.817 0.445 828 H ALA 48 H ALA 48 -11.913 3.924 -1.780 829 HA ALA 48 HA ALA 48 -11.536 4.844 0.914 830 1HB ALA 48 1HB ALA 48 -9.399 5.050 0.115 831 2HB ALA 48 2HB ALA 48 -9.905 6.188 -1.132 832 3HB ALA 48 3HB ALA 48 -10.026 4.443 -1.431 833 H LYS 49 H LYS 49 -12.089 6.685 -2.141 834 HA LYS 49 HA LYS 49 -12.479 9.265 -0.909 835 1HB LYS 49 2HB LYS 49 -13.204 7.974 -3.540 836 2HB LYS 49 1HB LYS 49 -13.669 9.638 -3.193 837 1HG LYS 49 2HG LYS 49 -11.614 10.207 -3.971 838 2HG LYS 49 1HG LYS 49 -11.016 9.605 -2.427 839 1HD LYS 49 2HD LYS 49 -10.455 7.493 -3.337 840 2HD LYS 49 1HD LYS 49 -11.414 7.766 -4.787 841 1HE LYS 49 2HE LYS 49 -9.208 8.150 -5.545 842 2HE LYS 49 1HE LYS 49 -9.773 9.790 -5.176 843 1HZ LYS 49 2HZ LYS 49 -8.390 8.054 -3.188 844 2HZ LYS 49 1HZ LYS 49 -7.578 9.188 -4.157 845 3HZ LYS 49 3HZ LYS 49 -8.745 9.711 -3.046 846 H LYS 50 H LYS 50 -14.786 6.707 -1.922 847 HA LYS 50 HA LYS 50 -17.257 8.016 -1.341 848 1HB LYS 50 2HB LYS 50 -16.333 5.130 -1.128 849 2HB LYS 50 1HB LYS 50 -18.018 5.602 -0.928 850 1HG LYS 50 2HG LYS 50 -18.123 6.467 -3.176 851 2HG LYS 50 1HG LYS 50 -16.384 6.278 -3.392 852 1HD LYS 50 2HD LYS 50 -16.664 3.811 -3.042 853 2HD LYS 50 1HD LYS 50 -18.411 4.053 -3.006 854 1HE LYS 50 2HE LYS 50 -18.495 4.656 -5.288 855 2HE LYS 50 1HE LYS 50 -16.763 5.038 -5.344 856 1HZ LYS 50 1HZ LYS 50 -16.294 2.682 -4.863 857 2HZ LYS 50 3HZ LYS 50 -17.956 2.339 -4.930 858 3HZ LYS 50 2HZ LYS 50 -17.141 2.872 -6.323 859 H LEU 51 H LEU 51 -15.121 6.094 0.796 860 HA LEU 51 HA LEU 51 -16.717 6.451 3.199 861 1HB LEU 51 2HB LEU 51 -15.230 4.545 2.851 862 2HB LEU 51 1HB LEU 51 -13.839 5.610 2.666 863 HG LEU 51 HG LEU 51 -13.934 6.257 4.984 864 1HD1 LEU 51 2HD1 LEU 51 -16.656 4.977 4.897 865 2HD1 LEU 51 1HD1 LEU 51 -15.776 5.030 6.425 866 3HD1 LEU 51 3HD1 LEU 51 -16.175 6.530 5.587 867 1HD2 LEU 51 3HD2 LEU 51 -14.339 3.292 4.540 868 2HD2 LEU 51 2HD2 LEU 51 -12.816 4.165 4.723 869 3HD2 LEU 51 1HD2 LEU 51 -13.884 3.956 6.110 870 H ASN 52 H ASN 52 -13.900 8.153 1.785 871 HA ASN 52 HA ASN 52 -13.279 9.898 3.952 872 1HB ASN 52 2HB ASN 52 -11.756 10.618 2.437 873 2HB ASN 52 1HB ASN 52 -12.371 9.361 1.403 874 1HD2 ASN 52 1HD2 ASN 52 -11.096 11.733 0.375 875 2HD2 ASN 52 2HD2 ASN 52 -12.256 12.651 -0.455 876 H ASP 53 H ASP 53 -15.841 10.016 1.516 877 HA ASP 53 HA ASP 53 -16.653 12.724 1.867 878 1HB ASP 53 2HB ASP 53 -17.187 11.051 0.009 879 2HB ASP 53 1HB ASP 53 -18.385 10.355 1.099 880 H ALA 54 H ALA 54 -17.475 9.716 3.599 881 HA ALA 54 HA ALA 54 -19.812 10.650 5.004 882 1HB ALA 54 3HB ALA 54 -18.771 8.290 4.602 883 2HB ALA 54 2HB ALA 54 -17.828 8.636 6.053 884 3HB ALA 54 1HB ALA 54 -19.590 8.593 6.137 885 H GLN 55 H GLN 55 -16.337 10.830 5.727 886 HA GLN 55 HA GLN 55 -16.727 11.988 8.408 887 1HB GLN 55 2HB GLN 55 -14.379 11.427 6.573 888 2HB GLN 55 1HB GLN 55 -14.181 12.100 8.179 889 1HG GLN 55 2HG GLN 55 -15.169 10.138 9.205 890 2HG GLN 55 1HG GLN 55 -15.613 9.485 7.624 891 1HE2 GLN 55 1HE2 GLN 55 -13.422 9.719 6.085 892 2HE2 GLN 55 2HE2 GLN 55 -12.077 8.933 6.773 893 H ALA 56 H ALA 56 -15.780 13.079 5.140 894 HA ALA 56 HA ALA 56 -16.323 15.915 5.897 895 1HB ALA 56 2HB ALA 56 -14.042 15.934 6.277 896 2HB ALA 56 3HB ALA 56 -14.028 16.201 4.532 897 3HB ALA 56 1HB ALA 56 -13.761 14.581 5.179 898 HA PRO 57 HA PRO 57 -17.940 15.922 1.740 899 1HB PRO 57 2HB PRO 57 -17.771 18.583 1.123 900 2HB PRO 57 1HB PRO 57 -18.984 17.928 2.242 901 1HG PRO 57 2HG PRO 57 -16.424 19.319 2.826 902 2HG PRO 57 1HG PRO 57 -17.990 19.453 3.640 903 1HD PRO 57 1HD PRO 57 -15.897 18.001 4.620 904 2HD PRO 57 2HD PRO 57 -17.601 17.624 4.965 905 H LYS 58 H LYS 58 -17.106 15.780 -0.378 906 HA LYS 58 HA LYS 58 -14.211 15.798 -0.721 907 1HB LYS 58 2HB LYS 58 -16.573 15.395 -2.579 908 2HB LYS 58 1HB LYS 58 -14.902 15.258 -3.124 909 1HG LYS 58 2HG LYS 58 -14.507 13.509 -1.399 910 2HG LYS 58 1HG LYS 58 -16.202 13.613 -0.929 911 1HD LYS 58 2HD LYS 58 -16.817 13.067 -3.316 912 2HD LYS 58 1HD LYS 58 -15.107 12.769 -3.626 913 1HE LYS 58 2HE LYS 58 -15.389 10.650 -2.863 914 2HE LYS 58 1HE LYS 58 -15.764 11.315 -1.265 915 1HZ LYS 58 1HZ LYS 58 -18.065 11.712 -2.092 916 2HZ LYS 58 3HZ LYS 58 -17.668 10.854 -3.502 917 3HZ LYS 58 2HZ LYS 58 -17.648 10.069 -1.997 No H/Q in entry = 917 Start of MODEL 21 1 H1 VAL 1 1H VAL 1 -4.583 -15.111 9.585 2 H2 VAL 1 3H VAL 1 -4.851 -13.678 8.715 3 H3 VAL 1 2H VAL 1 -5.360 -15.165 8.077 4 HA VAL 1 HA VAL 1 -3.401 -14.630 6.894 5 HB VAL 1 HB VAL 1 -1.293 -14.099 8.250 6 1HG1 VAL 1 1HG1 VAL 1 -3.557 -12.415 7.611 7 2HG1 VAL 1 3HG1 VAL 1 -2.706 -11.787 9.021 8 3HG1 VAL 1 2HG1 VAL 1 -1.836 -12.054 7.513 9 1HG2 VAL 1 2HG2 VAL 1 -2.133 -14.947 10.445 10 2HG2 VAL 1 1HG2 VAL 1 -1.574 -13.280 10.540 11 3HG2 VAL 1 3HG2 VAL 1 -3.301 -13.626 10.484 12 H ASP 2 H ASP 2 -2.554 -16.535 6.132 13 HA ASP 2 HA ASP 2 -2.664 -18.990 7.648 14 1HB ASP 2 2HB ASP 2 -1.724 -19.982 5.655 15 2HB ASP 2 1HB ASP 2 -2.802 -18.695 5.129 16 H ASN 3 H ASN 3 -0.018 -16.697 6.983 17 HA ASN 3 HA ASN 3 1.574 -17.907 9.170 18 1HB ASN 3 2HB ASN 3 3.500 -18.284 7.752 19 2HB ASN 3 1HB ASN 3 2.124 -19.070 6.995 20 1HD2 ASN 3 1HD2 ASN 3 4.526 -18.236 5.564 21 2HD2 ASN 3 2HD2 ASN 3 4.057 -17.059 4.436 22 H LYS 4 H LYS 4 3.789 -16.482 9.229 23 HA LYS 4 HA LYS 4 3.047 -13.814 9.945 24 1HB LYS 4 2HB LYS 4 5.506 -13.464 10.130 25 2HB LYS 4 1HB LYS 4 4.997 -14.977 10.875 26 1HG LYS 4 2HG LYS 4 5.677 -16.160 8.746 27 2HG LYS 4 1HG LYS 4 6.326 -14.625 8.168 28 1HD LYS 4 2HD LYS 4 7.803 -14.522 10.164 29 2HD LYS 4 1HD LYS 4 7.197 -16.100 10.669 30 1HE LYS 4 2HE LYS 4 7.933 -16.637 8.082 31 2HE LYS 4 1HE LYS 4 9.143 -15.428 8.542 32 1HZ LYS 4 3HZ LYS 4 9.568 -16.684 10.579 33 2HZ LYS 4 2HZ LYS 4 8.434 -17.861 10.108 34 3HZ LYS 4 1HZ LYS 4 9.858 -17.639 9.207 35 H PHE 5 H PHE 5 4.588 -15.013 6.927 36 HA PHE 5 HA PHE 5 5.096 -12.481 5.752 37 1HB PHE 5 2HB PHE 5 4.539 -15.187 4.527 38 2HB PHE 5 1HB PHE 5 5.167 -13.816 3.626 39 HD1 PHE 5 HD1 PHE 5 6.867 -12.835 6.183 40 HD2 PHE 5 HD2 PHE 5 6.535 -16.531 4.002 41 HE1 PHE 5 HE1 PHE 5 9.167 -13.445 6.859 42 HE2 PHE 5 HE2 PHE 5 8.835 -17.136 4.694 43 HZ PHE 5 HZ PHE 5 10.149 -15.595 6.124 44 H ASN 6 H ASN 6 2.057 -14.323 5.906 45 HA ASN 6 HA ASN 6 0.632 -13.212 3.739 46 1HB ASN 6 2HB ASN 6 -0.074 -15.008 5.402 47 2HB ASN 6 1HB ASN 6 -0.483 -13.707 6.517 48 1HD2 ASN 6 1HD2 ASN 6 -1.314 -15.051 3.293 49 2HD2 ASN 6 2HD2 ASN 6 -2.851 -14.333 3.220 50 H LYS 7 H LYS 7 0.513 -11.896 7.135 51 HA LYS 7 HA LYS 7 -0.540 -9.358 6.109 52 1HB LYS 7 2HB LYS 7 -1.413 -10.010 8.186 53 2HB LYS 7 1HB LYS 7 0.205 -10.353 8.851 54 1HG LYS 7 2HG LYS 7 0.724 -7.921 8.693 55 2HG LYS 7 1HG LYS 7 -0.908 -7.630 8.082 56 1HD LYS 7 2HD LYS 7 -1.881 -8.440 10.108 57 2HD LYS 7 1HD LYS 7 -0.298 -8.970 10.704 58 1HE LYS 7 2HE LYS 7 0.442 -6.534 10.585 59 2HE LYS 7 1HE LYS 7 -1.254 -6.114 10.277 60 1HZ LYS 7 2HZ LYS 7 -1.880 -7.284 12.307 61 2HZ LYS 7 1HZ LYS 7 -0.251 -7.669 12.610 62 3HZ LYS 7 3HZ LYS 7 -0.761 -6.054 12.652 63 H GLU 8 H GLU 8 2.683 -10.561 6.985 64 HA GLU 8 HA GLU 8 3.986 -8.054 7.403 65 1HB GLU 8 2HB GLU 8 4.891 -10.700 6.254 66 2HB GLU 8 1HB GLU 8 5.982 -9.319 6.355 67 1HG GLU 8 2HG GLU 8 4.479 -10.511 8.701 68 2HG GLU 8 1HG GLU 8 6.185 -10.802 8.327 69 H GLN 9 H GLN 9 3.082 -9.808 4.441 70 HA GLN 9 HA GLN 9 4.225 -7.949 2.580 71 1HB GLN 9 2HB GLN 9 1.927 -9.914 2.428 72 2HB GLN 9 1HB GLN 9 2.502 -9.000 1.041 73 1HG GLN 9 2HG GLN 9 4.692 -10.032 1.203 74 2HG GLN 9 1HG GLN 9 4.207 -10.901 2.661 75 1HE2 GLN 9 1HE2 GLN 9 2.517 -12.608 2.405 76 2HE2 GLN 9 2HE2 GLN 9 2.228 -13.294 0.883 77 H GLN 10 H GLN 10 1.088 -8.290 4.192 78 HA GLN 10 HA GLN 10 -0.398 -6.131 3.002 79 1HB GLN 10 2HB GLN 10 -0.627 -8.110 5.013 80 2HB GLN 10 1HB GLN 10 -0.966 -6.590 5.792 81 1HG GLN 10 2HG GLN 10 -3.063 -6.927 5.009 82 2HG GLN 10 1HG GLN 10 -2.399 -6.303 3.510 83 1HE2 GLN 10 1HE2 GLN 10 -4.022 -7.729 2.340 84 2HE2 GLN 10 2HE2 GLN 10 -3.717 -9.390 2.194 85 H ASN 11 H ASN 11 1.534 -6.285 6.001 86 HA ASN 11 HA ASN 11 1.233 -3.500 6.702 87 1HB ASN 11 2HB ASN 11 1.854 -5.542 8.161 88 2HB ASN 11 1HB ASN 11 3.485 -5.385 7.499 89 1HD2 ASN 11 1HD2 ASN 11 4.828 -3.732 8.380 90 2HD2 ASN 11 2HD2 ASN 11 4.303 -2.620 9.548 91 H ALA 12 H ALA 12 3.850 -5.386 5.120 92 HA ALA 12 HA ALA 12 5.674 -3.202 4.729 93 1HB ALA 12 1HB ALA 12 5.175 -5.866 3.387 94 2HB ALA 12 2HB ALA 12 6.504 -5.412 4.460 95 3HB ALA 12 3HB ALA 12 6.439 -4.770 2.814 96 H PHE 13 H PHE 13 3.058 -4.563 2.711 97 HA PHE 13 HA PHE 13 3.329 -2.904 0.397 98 1HB PHE 13 2HB PHE 13 1.854 -4.846 0.411 99 2HB PHE 13 1HB PHE 13 0.968 -4.231 1.798 100 HD1 PHE 13 HD1 PHE 13 -1.212 -3.685 1.159 101 HD2 PHE 13 HD2 PHE 13 2.059 -2.633 -1.409 102 HE1 PHE 13 HE1 PHE 13 -2.790 -2.640 -0.416 103 HE2 PHE 13 HE2 PHE 13 0.474 -1.586 -2.985 104 HZ PHE 13 HZ PHE 13 -1.948 -1.600 -2.478 105 H TYR 14 H TYR 14 1.126 -2.584 3.183 106 HA TYR 14 HA TYR 14 0.075 -0.024 2.722 107 1HB TYR 14 2HB TYR 14 -0.650 -1.651 4.394 108 2HB TYR 14 1HB TYR 14 0.836 -1.388 5.308 109 HD1 TYR 14 HD1 TYR 14 -2.316 0.190 4.148 110 HD2 TYR 14 HD2 TYR 14 1.178 0.589 6.606 111 HE1 TYR 14 HE1 TYR 14 -3.335 2.049 5.285 112 HE2 TYR 14 HE2 TYR 14 0.148 2.523 7.746 113 HH TYR 14 HH TYR 14 -2.369 3.276 8.174 114 H GLU 15 H GLU 15 2.921 -0.855 4.789 115 HA GLU 15 HA GLU 15 3.688 1.818 5.412 116 1HB GLU 15 2HB GLU 15 5.225 -0.788 5.233 117 2HB GLU 15 1HB GLU 15 5.917 0.697 5.878 118 1HG GLU 15 2HG GLU 15 3.441 -0.698 6.953 119 2HG GLU 15 1HG GLU 15 5.033 -0.728 7.698 120 H ILE 16 H ILE 16 4.707 -0.311 2.670 121 HA ILE 16 HA ILE 16 6.614 1.464 1.469 122 HB ILE 16 HB ILE 16 4.823 -0.791 0.613 123 1HG1 ILE 16 2HG1 ILE 16 7.653 -0.541 -0.236 124 2HG1 ILE 16 1HG1 ILE 16 7.392 -0.556 1.501 125 1HG2 ILE 16 2HG2 ILE 16 6.110 1.099 -1.353 126 2HG2 ILE 16 1HG2 ILE 16 5.720 -0.573 -1.761 127 3HG2 ILE 16 3HG2 ILE 16 4.436 0.552 -1.313 128 1HD1 ILE 16 2HD1 ILE 16 5.837 -2.572 0.012 129 2HD1 ILE 16 1HD1 ILE 16 7.607 -2.794 -0.033 130 3HD1 ILE 16 3HD1 ILE 16 6.763 -2.720 1.515 131 H LEU 17 H LEU 17 3.081 1.215 1.050 132 HA LEU 17 HA LEU 17 2.768 3.495 -0.727 133 1HB LEU 17 2HB LEU 17 0.847 2.148 1.203 134 2HB LEU 17 1HB LEU 17 0.380 3.290 -0.048 135 HG LEU 17 HG LEU 17 1.979 1.086 -1.113 136 1HD1 LEU 17 3HD1 LEU 17 -0.006 0.415 0.821 137 2HD1 LEU 17 2HD1 LEU 17 -0.641 0.030 -0.790 138 3HD1 LEU 17 1HD1 LEU 17 0.888 -0.660 -0.256 139 1HD2 LEU 17 2HD2 LEU 17 0.259 2.863 -2.136 140 2HD2 LEU 17 1HD2 LEU 17 0.523 1.255 -2.851 141 3HD2 LEU 17 3HD2 LEU 17 -0.871 1.515 -1.778 142 H HIS 18 H HIS 18 2.629 3.150 2.838 143 HA HIS 18 HA HIS 18 1.811 5.959 3.232 144 1HB HIS 18 2HB HIS 18 2.265 3.549 4.995 145 2HB HIS 18 1HB HIS 18 1.940 5.140 5.681 146 HD1 HIS 18 HD1 HIS 18 -0.467 6.061 5.471 147 HD2 HIS 18 HD2 HIS 18 0.011 2.384 3.602 148 HE1 HIS 18 HE1 HIS 18 -2.766 5.198 4.805 149 H LEU 19 H LEU 19 4.915 4.605 2.773 150 HA LEU 19 HA LEU 19 6.393 5.883 4.896 151 1HB LEU 19 2HB LEU 19 7.006 4.769 2.173 152 2HB LEU 19 1HB LEU 19 8.237 5.748 2.967 153 HG LEU 19 HG LEU 19 6.892 3.371 4.291 154 1HD1 LEU 19 3HD1 LEU 19 9.421 3.576 2.651 155 2HD1 LEU 19 2HD1 LEU 19 9.171 2.286 3.830 156 3HD1 LEU 19 1HD1 LEU 19 8.083 2.444 2.455 157 1HD2 LEU 19 1HD2 LEU 19 8.138 5.305 5.600 158 2HD2 LEU 19 3HD2 LEU 19 8.429 3.618 6.034 159 3HD2 LEU 19 2HD2 LEU 19 9.584 4.484 5.020 160 HA PRO 20 HA PRO 20 5.870 10.100 3.707 161 1HB PRO 20 2HB PRO 20 7.985 11.219 5.036 162 2HB PRO 20 1HB PRO 20 6.496 10.674 5.835 163 1HG PRO 20 2HG PRO 20 9.128 9.303 5.606 164 2HG PRO 20 1HG PRO 20 8.037 9.419 6.996 165 1HD PRO 20 1HD PRO 20 8.187 7.211 5.445 166 2HD PRO 20 2HD PRO 20 6.685 7.714 6.249 167 H ASN 21 H ASN 21 8.859 8.396 2.837 168 HA ASN 21 HA ASN 21 9.443 10.620 0.901 169 1HB ASN 21 2HB ASN 21 11.349 8.746 2.306 170 2HB ASN 21 1HB ASN 21 11.814 10.051 1.228 171 1HD2 ASN 21 1HD2 ASN 21 11.418 12.263 1.998 172 2HD2 ASN 21 2HD2 ASN 21 11.238 12.578 3.654 173 H LEU 22 H LEU 22 8.037 7.673 0.785 174 HA LEU 22 HA LEU 22 9.678 6.524 -1.396 175 1HB LEU 22 2HB LEU 22 7.250 5.679 0.172 176 2HB LEU 22 1HB LEU 22 7.579 4.905 -1.371 177 HG LEU 22 HG LEU 22 9.092 4.723 1.208 178 1HD1 LEU 22 2HD1 LEU 22 8.323 2.876 -1.057 179 2HD1 LEU 22 1HD1 LEU 22 9.432 2.376 0.224 180 3HD1 LEU 22 3HD1 LEU 22 7.770 2.829 0.617 181 1HD2 LEU 22 3HD2 LEU 22 10.369 4.575 -1.536 182 2HD2 LEU 22 2HD2 LEU 22 10.863 5.588 -0.168 183 3HD2 LEU 22 1HD2 LEU 22 11.076 3.834 -0.098 184 H ASN 23 H ASN 23 9.141 6.582 -3.520 185 HA ASN 23 HA ASN 23 6.787 8.273 -4.305 186 1HB ASN 23 2HB ASN 23 8.203 8.726 -6.371 187 2HB ASN 23 1HB ASN 23 8.850 9.362 -4.876 188 1HD2 ASN 23 1HD2 ASN 23 10.929 8.582 -4.191 189 2HD2 ASN 23 2HD2 ASN 23 11.800 7.402 -5.044 190 H GLU 24 H GLU 24 6.591 7.687 -6.946 191 HA GLU 24 HA GLU 24 5.213 5.155 -6.982 192 1HB GLU 24 2HB GLU 24 6.101 7.176 -9.053 193 2HB GLU 24 1HB GLU 24 5.323 5.678 -9.552 194 1HG GLU 24 2HG GLU 24 3.499 7.131 -9.339 195 2HG GLU 24 1HG GLU 24 3.508 6.318 -7.780 196 H GLU 25 H GLU 25 8.469 6.098 -8.216 197 HA GLU 25 HA GLU 25 9.059 3.599 -9.511 198 1HB GLU 25 2HB GLU 25 10.300 5.776 -9.731 199 2HB GLU 25 1HB GLU 25 10.947 5.528 -8.112 200 1HG GLU 25 2HG GLU 25 11.934 3.360 -8.888 201 2HG GLU 25 1HG GLU 25 11.384 3.736 -10.520 202 H GLN 26 H GLN 26 9.776 4.733 -6.185 203 HA GLN 26 HA GLN 26 10.949 2.195 -5.338 204 1HB GLN 26 2HB GLN 26 10.323 4.872 -4.215 205 2HB GLN 26 1HB GLN 26 10.414 3.551 -3.051 206 1HG GLN 26 2HG GLN 26 12.628 4.557 -3.307 207 2HG GLN 26 1HG GLN 26 12.640 2.924 -3.966 208 1HE2 GLN 26 1HE2 GLN 26 13.304 2.698 -6.138 209 2HE2 GLN 26 2HE2 GLN 26 13.520 3.998 -7.207 210 H ARG 27 H ARG 27 7.884 3.837 -4.347 211 HA ARG 27 HA ARG 27 6.871 1.734 -2.737 212 1HB ARG 27 2HB ARG 27 5.966 4.020 -2.776 213 2HB ARG 27 1HB ARG 27 5.438 3.803 -4.441 214 1HG ARG 27 2HG ARG 27 3.990 1.900 -3.635 215 2HG ARG 27 1HG ARG 27 4.359 2.415 -1.989 216 1HD ARG 27 2HD ARG 27 2.265 3.459 -2.646 217 2HD ARG 27 1HD ARG 27 3.509 4.726 -2.641 218 HE ARG 27 HE ARG 27 2.798 3.256 -5.161 219 1HH1 ARG 27 1HH1 ARG 27 1.339 4.989 -6.177 220 2HH1 ARG 27 2HH1 ARG 27 2.102 6.536 -6.325 221 1HH2 ARG 27 1HH2 ARG 27 4.700 5.773 -4.140 222 2HH2 ARG 27 2HH2 ARG 27 4.015 6.976 -5.177 223 H ASN 28 H ASN 28 6.124 2.411 -6.218 224 HA ASN 28 HA ASN 28 4.297 0.209 -6.567 225 1HB ASN 28 2HB ASN 28 6.028 1.557 -8.640 226 2HB ASN 28 1HB ASN 28 4.553 0.682 -8.953 227 1HD2 ASN 28 1HD2 ASN 28 4.534 3.207 -9.950 228 2HD2 ASN 28 2HD2 ASN 28 3.615 4.257 -8.984 229 H ALA 29 H ALA 29 7.824 0.526 -7.171 230 HA ALA 29 HA ALA 29 8.303 -2.070 -8.311 231 1HB ALA 29 2HB ALA 29 9.880 -0.154 -8.169 232 2HB ALA 29 3HB ALA 29 10.581 -1.648 -7.544 233 3HB ALA 29 1HB ALA 29 9.992 -0.419 -6.422 234 H PHE 30 H PHE 30 8.109 -0.918 -4.953 235 HA PHE 30 HA PHE 30 8.928 -3.328 -3.661 236 1HB PHE 30 2HB PHE 30 7.331 -0.892 -2.931 237 2HB PHE 30 1HB PHE 30 7.486 -2.225 -1.789 238 HD1 PHE 30 HD1 PHE 30 8.656 0.683 -1.641 239 HD2 PHE 30 HD2 PHE 30 10.296 -3.107 -2.792 240 HE1 PHE 30 HE1 PHE 30 10.908 1.434 -0.956 241 HE2 PHE 30 HE2 PHE 30 12.521 -2.366 -2.113 242 HZ PHE 30 HZ PHE 30 12.834 -0.137 -1.190 243 H ILE 31 H ILE 31 5.719 -2.122 -4.567 244 HA ILE 31 HA ILE 31 4.263 -4.380 -3.504 245 HB ILE 31 HB ILE 31 3.710 -2.350 -5.691 246 1HG1 ILE 31 2HG1 ILE 31 2.451 -2.471 -2.999 247 2HG1 ILE 31 1HG1 ILE 31 4.082 -1.842 -3.115 248 1HG2 ILE 31 2HG2 ILE 31 2.266 -4.759 -5.003 249 2HG2 ILE 31 1HG2 ILE 31 1.340 -3.325 -4.539 250 3HG2 ILE 31 3HG2 ILE 31 1.870 -3.531 -6.202 251 1HD1 ILE 31 1HD1 ILE 31 1.703 -0.841 -4.698 252 2HD1 ILE 31 3HD1 ILE 31 2.374 -0.068 -3.249 253 3HD1 ILE 31 2HD1 ILE 31 3.351 -0.160 -4.715 254 H GLN 32 H GLN 32 6.104 -3.847 -6.547 255 HA GLN 32 HA GLN 32 5.097 -6.236 -7.895 256 1HB GLN 32 2HB GLN 32 7.565 -4.493 -8.194 257 2HB GLN 32 1HB GLN 32 7.199 -5.825 -9.288 258 1HG GLN 32 2HG GLN 32 5.085 -4.798 -9.911 259 2HG GLN 32 1HG GLN 32 5.313 -3.512 -8.728 260 1HE2 GLN 32 1HE2 GLN 32 6.536 -4.799 -11.833 261 2HE2 GLN 32 2HE2 GLN 32 7.344 -3.378 -12.285 262 H SER 33 H SER 33 8.039 -5.544 -5.936 263 HA SER 33 HA SER 33 9.062 -8.277 -5.967 264 1HB SER 33 2HB SER 33 10.552 -7.305 -4.174 265 2HB SER 33 1HB SER 33 10.557 -6.426 -5.698 266 HG SER 33 HG SER 33 10.145 -4.820 -4.369 267 H LEU 34 H LEU 34 6.951 -6.447 -3.848 268 HA LEU 34 HA LEU 34 6.930 -8.318 -1.613 269 1HB LEU 34 2HB LEU 34 6.640 -5.848 -1.513 270 2HB LEU 34 1HB LEU 34 5.152 -5.995 -2.436 271 HG LEU 34 HG LEU 34 4.336 -7.523 -0.531 272 1HD1 LEU 34 2HD1 LEU 34 6.798 -6.286 0.676 273 2HD1 LEU 34 1HD1 LEU 34 5.443 -6.846 1.658 274 3HD1 LEU 34 3HD1 LEU 34 6.326 -7.986 0.645 275 1HD2 LEU 34 2HD2 LEU 34 3.908 -4.962 -1.020 276 2HD2 LEU 34 1HD2 LEU 34 3.380 -5.682 0.496 277 3HD2 LEU 34 3HD2 LEU 34 4.867 -4.744 0.443 278 H LYS 35 H LYS 35 4.632 -7.522 -4.268 279 HA LYS 35 HA LYS 35 2.560 -9.344 -3.448 280 1HB LYS 35 2HB LYS 35 3.234 -7.731 -5.876 281 2HB LYS 35 1HB LYS 35 2.054 -8.986 -6.061 282 1HG LYS 35 2HG LYS 35 1.138 -7.906 -3.792 283 2HG LYS 35 1HG LYS 35 1.896 -6.491 -4.515 284 1HD LYS 35 2HD LYS 35 -0.590 -6.961 -5.043 285 2HD LYS 35 1HD LYS 35 0.475 -6.540 -6.376 286 1HE LYS 35 2HE LYS 35 0.259 -8.548 -7.325 287 2HE LYS 35 1HE LYS 35 0.410 -9.388 -5.777 288 1HZ LYS 35 1HZ LYS 35 -2.001 -7.865 -6.564 289 2HZ LYS 35 3HZ LYS 35 -1.854 -9.533 -6.815 290 3HZ LYS 35 2HZ LYS 35 -1.832 -8.909 -5.235 291 H ASP 36 H ASP 36 5.441 -9.813 -5.478 292 HA ASP 36 HA ASP 36 4.560 -12.575 -6.151 293 1HB ASP 36 2HB ASP 36 6.824 -10.773 -7.047 294 2HB ASP 36 1HB ASP 36 6.659 -12.445 -7.589 295 H ASP 37 H ASP 37 6.815 -10.945 -3.945 296 HA ASP 37 HA ASP 37 7.894 -13.636 -3.148 297 1HB ASP 37 2HB ASP 37 9.396 -11.797 -4.262 298 2HB ASP 37 1HB ASP 37 9.334 -11.032 -2.675 299 HA PRO 38 HA PRO 38 5.531 -12.221 0.511 300 1HB PRO 38 2HB PRO 38 5.264 -14.722 1.594 301 2HB PRO 38 1HB PRO 38 4.212 -14.101 0.308 302 1HG PRO 38 2HG PRO 38 6.582 -15.894 0.090 303 2HG PRO 38 1HG PRO 38 4.998 -16.017 -0.698 304 1HD PRO 38 1HD PRO 38 7.144 -15.046 -1.983 305 2HD PRO 38 2HD PRO 38 5.503 -14.423 -2.272 306 H SER 39 H SER 39 8.311 -14.499 0.548 307 HA SER 39 HA SER 39 8.955 -14.221 3.337 308 1HB SER 39 2HB SER 39 10.660 -14.934 0.929 309 2HB SER 39 1HB SER 39 11.133 -15.203 2.604 310 HG SER 39 HG SER 39 9.386 -16.594 1.006 311 H GLN 40 H GLN 40 10.061 -12.331 0.494 312 HA GLN 40 HA GLN 40 11.960 -10.771 2.121 313 1HB GLN 40 2HB GLN 40 11.955 -11.462 -0.443 314 2HB GLN 40 1HB GLN 40 10.997 -9.990 -0.622 315 1HG GLN 40 2HG GLN 40 13.184 -9.201 -0.903 316 2HG GLN 40 1HG GLN 40 12.885 -8.878 0.802 317 1HE2 GLN 40 1HE2 GLN 40 14.374 -11.341 -1.376 318 2HE2 GLN 40 2HE2 GLN 40 15.495 -11.888 -0.224 319 H SER 41 H SER 41 8.598 -10.658 2.027 320 HA SER 41 HA SER 41 7.929 -7.981 1.482 321 1HB SER 41 2HB SER 41 5.931 -8.468 2.834 322 2HB SER 41 1HB SER 41 6.368 -9.882 1.886 323 HG SER 41 HG SER 41 6.748 -10.930 3.675 324 H ALA 42 H ALA 42 8.942 -9.291 4.735 325 HA ALA 42 HA ALA 42 8.715 -6.744 6.100 326 1HB ALA 42 3HB ALA 42 10.645 -9.038 6.476 327 2HB ALA 42 1HB ALA 42 9.047 -8.911 7.224 328 3HB ALA 42 2HB ALA 42 10.322 -7.766 7.658 329 H ASN 43 H ASN 43 11.474 -8.365 4.486 330 HA ASN 43 HA ASN 43 13.492 -6.384 4.810 331 1HB ASN 43 2HB ASN 43 12.837 -8.619 2.975 332 2HB ASN 43 1HB ASN 43 13.957 -7.411 2.333 333 1HD2 ASN 43 1HD2 ASN 43 15.807 -6.830 4.038 334 2HD2 ASN 43 2HD2 ASN 43 16.464 -8.146 4.882 335 H LEU 44 H LEU 44 10.863 -6.744 2.443 336 HA LEU 44 HA LEU 44 11.612 -4.609 0.688 337 1HB LEU 44 2HB LEU 44 9.079 -6.082 1.329 338 2HB LEU 44 1HB LEU 44 9.095 -4.759 0.156 339 HG LEU 44 HG LEU 44 10.964 -7.125 0.084 340 1HD1 LEU 44 1HD1 LEU 44 8.313 -7.219 -0.383 341 2HD1 LEU 44 3HD1 LEU 44 8.890 -6.728 -1.978 342 3HD1 LEU 44 2HD1 LEU 44 9.487 -8.220 -1.243 343 1HD2 LEU 44 2HD2 LEU 44 10.927 -4.512 -1.152 344 2HD2 LEU 44 1HD2 LEU 44 12.114 -5.820 -1.307 345 3HD2 LEU 44 3HD2 LEU 44 10.715 -5.788 -2.394 346 H LEU 45 H LEU 45 9.500 -4.750 3.561 347 HA LEU 45 HA LEU 45 8.863 -1.906 3.357 348 1HB LEU 45 2HB LEU 45 7.440 -3.309 4.633 349 2HB LEU 45 1HB LEU 45 8.780 -3.932 5.592 350 HG LEU 45 HG LEU 45 9.103 -1.810 6.659 351 1HD1 LEU 45 2HD1 LEU 45 7.124 -0.777 4.602 352 2HD1 LEU 45 1HD1 LEU 45 7.557 0.136 6.045 353 3HD1 LEU 45 3HD1 LEU 45 8.793 -0.247 4.845 354 1HD2 LEU 45 2HD2 LEU 45 7.219 -3.299 7.387 355 2HD2 LEU 45 1HD2 LEU 45 7.030 -1.606 7.848 356 3HD2 LEU 45 3HD2 LEU 45 6.122 -2.256 6.480 357 H ALA 46 H ALA 46 11.317 -3.842 5.135 358 HA ALA 46 HA ALA 46 12.654 -1.716 6.531 359 1HB ALA 46 3HB ALA 46 13.436 -4.351 5.282 360 2HB ALA 46 2HB ALA 46 14.679 -3.305 5.978 361 3HB ALA 46 1HB ALA 46 13.369 -3.915 6.996 362 H GLU 47 H GLU 47 13.256 -2.997 3.202 363 HA GLU 47 HA GLU 47 15.315 -1.051 2.645 364 1HB GLU 47 2HB GLU 47 15.133 -1.883 0.323 365 2HB GLU 47 1HB GLU 47 15.266 -3.196 1.481 366 1HG GLU 47 2HG GLU 47 12.756 -3.340 1.362 367 2HG GLU 47 1HG GLU 47 12.869 -2.269 -0.032 368 H ALA 48 H ALA 48 11.747 -1.173 2.130 369 HA ALA 48 HA ALA 48 11.590 1.262 0.609 370 1HB ALA 48 3HB ALA 48 9.876 -0.511 0.915 371 2HB ALA 48 2HB ALA 48 9.711 -0.025 2.610 372 3HB ALA 48 1HB ALA 48 9.248 1.084 1.309 373 H LYS 49 H LYS 49 11.656 0.524 4.100 374 HA LYS 49 HA LYS 49 11.184 3.250 5.014 375 1HB LYS 49 2HB LYS 49 11.789 0.548 6.053 376 2HB LYS 49 1HB LYS 49 12.394 1.849 7.063 377 1HG LYS 49 2HG LYS 49 10.281 2.651 7.538 378 2HG LYS 49 1HG LYS 49 9.637 2.152 5.972 379 1HD LYS 49 2HD LYS 49 8.622 0.640 7.418 380 2HD LYS 49 1HD LYS 49 10.034 -0.262 6.858 381 1HE LYS 49 2HE LYS 49 11.269 0.332 8.865 382 2HE LYS 49 1HE LYS 49 9.945 1.386 9.401 383 1HZ LYS 49 1HZ LYS 49 9.720 -1.546 8.901 384 2HZ LYS 49 3HZ LYS 49 9.791 -0.820 10.431 385 3HZ LYS 49 2HZ LYS 49 8.459 -0.527 9.419 386 H LYS 50 H LYS 50 13.914 1.156 4.345 387 HA LYS 50 HA LYS 50 16.122 2.785 5.162 388 1HB LYS 50 2HB LYS 50 16.496 0.490 4.688 389 2HB LYS 50 1HB LYS 50 15.511 0.551 3.244 390 1HG LYS 50 2HG LYS 50 17.456 2.164 2.392 391 2HG LYS 50 1HG LYS 50 18.386 1.258 3.589 392 1HD LYS 50 2HD LYS 50 16.623 -0.129 1.539 393 2HD LYS 50 1HD LYS 50 18.317 0.268 1.211 394 1HE LYS 50 2HE LYS 50 18.954 -1.017 3.295 395 2HE LYS 50 1HE LYS 50 17.259 -1.531 3.429 396 1HZ LYS 50 2HZ LYS 50 17.398 -2.385 1.147 397 2HZ LYS 50 1HZ LYS 50 19.042 -1.954 1.076 398 3HZ LYS 50 3HZ LYS 50 18.523 -3.150 2.161 399 H LEU 51 H LEU 51 14.140 2.576 2.203 400 HA LEU 51 HA LEU 51 15.626 4.546 0.654 401 1HB LEU 51 2HB LEU 51 13.176 2.889 0.486 402 2HB LEU 51 1HB LEU 51 13.078 4.410 -0.387 403 HG LEU 51 HG LEU 51 14.722 3.809 -1.891 404 1HD1 LEU 51 2HD1 LEU 51 15.824 2.191 0.373 405 2HD1 LEU 51 1HD1 LEU 51 16.246 1.730 -1.276 406 3HD1 LEU 51 3HD1 LEU 51 16.648 3.345 -0.681 407 1HD2 LEU 51 2HD2 LEU 51 12.818 1.831 -1.245 408 2HD2 LEU 51 1HD2 LEU 51 13.664 2.045 -2.782 409 3HD2 LEU 51 3HD2 LEU 51 14.335 0.977 -1.550 410 H ASN 52 H ASN 52 12.712 4.586 2.699 411 HA ASN 52 HA ASN 52 11.890 7.259 2.178 412 1HB ASN 52 2HB ASN 52 10.208 6.538 3.508 413 2HB ASN 52 1HB ASN 52 11.099 5.047 3.753 414 1HD2 ASN 52 1HD2 ASN 52 10.931 8.395 5.107 415 2HD2 ASN 52 2HD2 ASN 52 11.241 7.912 6.703 416 H ASP 53 H ASP 53 14.200 5.954 4.588 417 HA ASP 53 HA ASP 53 14.745 8.599 5.745 418 1HB ASP 53 2HB ASP 53 16.150 5.923 5.977 419 2HB ASP 53 1HB ASP 53 16.475 7.328 6.988 420 H ALA 54 H ALA 54 16.416 6.426 3.430 421 HA ALA 54 HA ALA 54 18.811 8.039 3.153 422 1HB ALA 54 3HB ALA 54 17.500 6.053 1.262 423 2HB ALA 54 2HB ALA 54 19.185 6.575 1.200 424 3HB ALA 54 1HB ALA 54 18.603 5.631 2.572 425 H GLN 55 H GLN 55 15.893 7.692 1.085 426 HA GLN 55 HA GLN 55 16.566 9.803 -0.771 427 1HB GLN 55 2HB GLN 55 13.927 8.531 0.007 428 2HB GLN 55 1HB GLN 55 14.150 9.588 -1.382 429 1HG GLN 55 2HG GLN 55 15.852 8.002 -2.290 430 2HG GLN 55 1HG GLN 55 15.539 6.916 -0.933 431 1HE2 GLN 55 1HE2 GLN 55 12.855 6.765 -0.680 432 2HE2 GLN 55 2HE2 GLN 55 12.104 6.293 -2.126 433 H ALA 56 H ALA 56 15.059 9.773 2.425 434 HA ALA 56 HA ALA 56 13.590 12.188 2.433 435 1HB ALA 56 2HB ALA 56 14.627 12.099 4.942 436 2HB ALA 56 3HB ALA 56 14.946 10.445 4.416 437 3HB ALA 56 1HB ALA 56 13.299 11.074 4.408 438 HA PRO 57 HA PRO 57 16.594 15.393 2.317 439 1HB PRO 57 2HB PRO 57 15.202 17.383 3.566 440 2HB PRO 57 1HB PRO 57 14.786 16.801 1.940 441 1HG PRO 57 2HG PRO 57 13.536 16.150 4.554 442 2HG PRO 57 1HG PRO 57 12.772 16.440 2.985 443 1HD PRO 57 1HD PRO 57 13.186 13.965 4.062 444 2HD PRO 57 2HD PRO 57 13.065 14.276 2.316 445 H LYS 58 H LYS 58 17.799 13.936 3.990 446 HA LYS 58 HA LYS 58 17.843 15.145 6.732 447 1HB LYS 58 2HB LYS 58 18.772 12.473 5.619 448 2HB LYS 58 1HB LYS 58 18.996 12.972 7.295 449 1HG LYS 58 2HG LYS 58 16.515 13.269 7.491 450 2HG LYS 58 1HG LYS 58 16.346 12.624 5.856 451 1HD LYS 58 2HD LYS 58 17.521 10.543 6.611 452 2HD LYS 58 1HD LYS 58 17.512 11.183 8.256 453 1HE LYS 58 2HE LYS 58 14.924 11.452 7.863 454 2HE LYS 58 1HE LYS 58 15.186 10.251 6.585 455 1HZ LYS 58 2HZ LYS 58 16.435 8.917 8.274 456 2HZ LYS 58 1HZ LYS 58 15.883 9.999 9.463 457 3HZ LYS 58 3HZ LYS 58 14.773 9.062 8.587 458 H1 VAL 1 2H VAL 1 -2.631 -18.900 -13.143 459 H2 VAL 1 1H VAL 1 -3.751 -19.409 -11.971 460 H3 VAL 1 3H VAL 1 -4.294 -18.853 -13.481 461 HA VAL 1 HA VAL 1 -3.655 -16.618 -13.016 462 HB VAL 1 HB VAL 1 -5.000 -18.027 -10.673 463 1HG1 VAL 1 3HG1 VAL 1 -4.831 -15.083 -11.384 464 2HG1 VAL 1 2HG1 VAL 1 -6.061 -15.741 -10.303 465 3HG1 VAL 1 1HG1 VAL 1 -4.357 -15.853 -9.869 466 1HG2 VAL 1 1HG2 VAL 1 -5.999 -16.751 -13.233 467 2HG2 VAL 1 3HG2 VAL 1 -6.268 -18.400 -12.662 468 3HG2 VAL 1 2HG2 VAL 1 -7.063 -17.046 -11.858 469 H ASP 2 H ASP 2 -2.315 -15.160 -11.906 470 HA ASP 2 HA ASP 2 -0.476 -16.291 -9.813 471 1HB ASP 2 2HB ASP 2 1.266 -14.783 -10.890 472 2HB ASP 2 1HB ASP 2 0.737 -16.128 -11.892 473 H ASN 3 H ASN 3 0.717 -14.329 -8.672 474 HA ASN 3 HA ASN 3 -1.383 -12.327 -7.916 475 1HB ASN 3 2HB ASN 3 -0.297 -14.033 -6.282 476 2HB ASN 3 1HB ASN 3 1.142 -13.020 -6.389 477 1HD2 ASN 3 1HD2 ASN 3 -2.428 -12.526 -5.884 478 2HD2 ASN 3 2HD2 ASN 3 -2.228 -11.359 -4.668 479 H LYS 4 H LYS 4 -0.363 -11.537 -10.216 480 HA LYS 4 HA LYS 4 1.992 -9.752 -9.720 481 1HB LYS 4 2HB LYS 4 0.595 -10.727 -12.236 482 2HB LYS 4 1HB LYS 4 1.981 -9.636 -12.234 483 1HG LYS 4 2HG LYS 4 3.318 -11.342 -11.038 484 2HG LYS 4 1HG LYS 4 1.938 -12.440 -11.069 485 1HD LYS 4 2HD LYS 4 1.949 -12.253 -13.585 486 2HD LYS 4 1HD LYS 4 3.461 -11.356 -13.453 487 1HE LYS 4 2HE LYS 4 4.680 -13.224 -12.840 488 2HE LYS 4 1HE LYS 4 3.304 -13.974 -12.008 489 1HZ LYS 4 2HZ LYS 4 3.560 -13.641 -14.959 490 2HZ LYS 4 1HZ LYS 4 3.789 -15.096 -14.112 491 3HZ LYS 4 3HZ LYS 4 2.255 -14.372 -14.149 492 H PHE 5 H PHE 5 -1.046 -9.300 -8.986 493 HA PHE 5 HA PHE 5 -1.821 -6.947 -10.588 494 1HB PHE 5 2HB PHE 5 -2.915 -8.365 -8.124 495 2HB PHE 5 1HB PHE 5 -3.726 -7.051 -8.933 496 HD1 PHE 5 HD1 PHE 5 -4.501 -7.331 -11.322 497 HD2 PHE 5 HD2 PHE 5 -2.945 -10.593 -9.003 498 HE1 PHE 5 HE1 PHE 5 -5.457 -8.934 -12.937 499 HE2 PHE 5 HE2 PHE 5 -3.910 -12.200 -10.622 500 HZ PHE 5 HZ PHE 5 -5.169 -11.373 -12.591 501 H ASN 6 H ASN 6 0.557 -6.222 -9.758 502 HA ASN 6 HA ASN 6 0.382 -4.808 -7.146 503 1HB ASN 6 2HB ASN 6 2.939 -4.615 -7.571 504 2HB ASN 6 1HB ASN 6 2.282 -6.191 -7.158 505 1HD2 ASN 6 1HD2 ASN 6 3.260 -7.781 -8.430 506 2HD2 ASN 6 2HD2 ASN 6 3.672 -7.603 -10.066 507 H LYS 7 H LYS 7 0.621 -4.154 -10.559 508 HA LYS 7 HA LYS 7 1.602 -1.442 -10.429 509 1HB LYS 7 2HB LYS 7 1.427 -2.978 -12.452 510 2HB LYS 7 1HB LYS 7 -0.316 -2.705 -12.411 511 1HG LYS 7 2HG LYS 7 0.077 -0.265 -12.674 512 2HG LYS 7 1HG LYS 7 1.815 -0.565 -12.762 513 1HD LYS 7 2HD LYS 7 1.396 -2.053 -14.743 514 2HD LYS 7 1HD LYS 7 -0.299 -1.566 -14.694 515 1HE LYS 7 2HE LYS 7 0.482 0.026 -16.191 516 2HE LYS 7 1HE LYS 7 0.838 0.890 -14.684 517 1HZ LYS 7 3HZ LYS 7 3.048 -0.116 -14.671 518 2HZ LYS 7 2HZ LYS 7 2.711 -0.924 -16.130 519 3HZ LYS 7 1HZ LYS 7 2.805 0.771 -16.096 520 H GLU 8 H GLU 8 -1.543 -2.920 -10.195 521 HA GLU 8 HA GLU 8 -3.060 -0.473 -10.122 522 1HB GLU 8 2HB GLU 8 -4.893 -1.998 -9.512 523 2HB GLU 8 1HB GLU 8 -3.931 -2.658 -10.838 524 1HG GLU 8 2HG GLU 8 -2.605 -3.817 -8.865 525 2HG GLU 8 1HG GLU 8 -4.141 -3.597 -8.012 526 H LEU 9 H LEU 9 -1.377 -2.339 -7.628 527 HA LEU 9 HA LEU 9 -2.722 -0.997 -5.418 528 1HB LEU 9 2HB LEU 9 0.054 -2.182 -5.284 529 2HB LEU 9 1HB LEU 9 -1.100 -1.966 -4.016 530 HG LEU 9 HG LEU 9 -1.659 -3.830 -6.307 531 1HD1 LEU 9 1HD1 LEU 9 0.036 -4.125 -3.871 532 2HD1 LEU 9 3HD1 LEU 9 -1.094 -5.449 -4.178 533 3HD1 LEU 9 2HD1 LEU 9 0.120 -5.020 -5.390 534 1HD2 LEU 9 1HD2 LEU 9 -2.816 -3.415 -3.519 535 2HD2 LEU 9 3HD2 LEU 9 -3.623 -3.062 -5.054 536 3HD2 LEU 9 2HD2 LEU 9 -3.268 -4.737 -4.591 537 H SER 10 H SER 10 -0.084 -0.272 -7.577 538 HA SER 10 HA SER 10 1.318 1.688 -6.025 539 1HB SER 10 2HB SER 10 2.494 1.274 -7.929 540 2HB SER 10 1HB SER 10 1.093 0.665 -8.763 541 HG SER 10 HG SER 10 1.070 2.476 -9.812 542 H VAL 11 H VAL 11 -1.334 1.941 -8.430 543 HA VAL 11 HA VAL 11 -1.855 4.788 -7.894 544 HB VAL 11 HB VAL 11 -3.461 2.766 -9.501 545 1HG1 VAL 11 2HG1 VAL 11 -3.261 5.766 -9.420 546 2HG1 VAL 11 1HG1 VAL 11 -3.752 4.952 -10.906 547 3HG1 VAL 11 3HG1 VAL 11 -4.700 4.744 -9.433 548 1HG2 VAL 11 1HG2 VAL 11 -0.997 4.352 -10.307 549 2HG2 VAL 11 3HG2 VAL 11 -1.156 2.593 -10.258 550 3HG2 VAL 11 2HG2 VAL 11 -2.060 3.532 -11.452 551 H ALA 12 H ALA 12 -3.840 1.800 -7.607 552 HA ALA 12 HA ALA 12 -6.011 2.947 -6.151 553 1HB ALA 12 2HB ALA 12 -5.819 0.707 -7.402 554 2HB ALA 12 3HB ALA 12 -6.708 0.677 -5.882 555 3HB ALA 12 1HB ALA 12 -5.042 0.077 -5.940 556 H GLY 13 H GLY 13 -3.139 1.252 -5.014 557 1HA GLY 13 1HA GLY 13 -2.180 1.017 -2.922 558 2HA GLY 13 2HA GLY 13 -3.795 1.223 -2.245 559 H ARG 14 H ARG 14 -1.379 3.280 -3.918 560 HA ARG 14 HA ARG 14 -0.851 4.895 -1.669 561 1HB ARG 14 2HB ARG 14 0.064 4.708 -4.249 562 2HB ARG 14 1HB ARG 14 -0.660 6.311 -4.253 563 1HG ARG 14 2HG ARG 14 1.405 5.256 -2.298 564 2HG ARG 14 1HG ARG 14 1.683 6.458 -3.555 565 1HD ARG 14 2HD ARG 14 0.306 8.076 -2.423 566 2HD ARG 14 1HD ARG 14 -0.275 6.846 -1.277 567 HE ARG 14 HE ARG 14 2.054 6.632 -0.451 568 1HH1 ARG 14 1HH1 ARG 14 3.814 7.781 -2.354 569 2HH1 ARG 14 2HH1 ARG 14 4.026 9.424 -1.854 570 1HH2 ARG 14 1HH2 ARG 14 1.199 9.440 0.191 571 2HH2 ARG 14 2HH2 ARG 14 2.533 10.374 -0.402 572 H GLU 15 H GLU 15 -3.387 5.443 -4.196 573 HA GLU 15 HA GLU 15 -4.209 8.056 -3.240 574 1HB GLU 15 2HB GLU 15 -5.578 5.820 -4.761 575 2HB GLU 15 1HB GLU 15 -6.391 7.345 -4.404 576 1HG GLU 15 2HG GLU 15 -4.547 8.569 -5.542 577 2HG GLU 15 1HG GLU 15 -3.806 7.022 -5.957 578 H ILE 16 H ILE 16 -5.224 4.741 -2.458 579 HA ILE 16 HA ILE 16 -7.239 5.324 -0.493 580 HB ILE 16 HB ILE 16 -5.464 2.980 -1.231 581 1HG1 ILE 16 2HG1 ILE 16 -8.477 3.252 -1.291 582 2HG1 ILE 16 1HG1 ILE 16 -7.453 3.750 -2.631 583 1HG2 ILE 16 3HG2 ILE 16 -7.196 3.276 1.163 584 2HG2 ILE 16 2HG2 ILE 16 -7.264 1.732 0.300 585 3HG2 ILE 16 1HG2 ILE 16 -5.730 2.326 0.951 586 1HD1 ILE 16 1HD1 ILE 16 -6.512 1.219 -2.120 587 2HD1 ILE 16 3HD1 ILE 16 -8.229 1.046 -1.756 588 3HD1 ILE 16 2HD1 ILE 16 -7.718 1.613 -3.347 589 H VAL 17 H VAL 17 -3.718 5.226 -0.397 590 HA VAL 17 HA VAL 17 -3.376 5.098 2.486 591 HB VAL 17 HB VAL 17 -1.665 5.704 0.071 592 1HG1 VAL 17 1HG1 VAL 17 -1.048 6.414 2.854 593 2HG1 VAL 17 3HG1 VAL 17 0.170 5.408 2.076 594 3HG1 VAL 17 2HG1 VAL 17 -0.289 6.951 1.357 595 1HG2 VAL 17 2HG2 VAL 17 -2.254 3.418 1.792 596 2HG2 VAL 17 1HG2 VAL 17 -1.549 3.477 0.154 597 3HG2 VAL 17 3HG2 VAL 17 -0.524 3.697 1.570 598 H THR 18 H THR 18 -3.410 7.808 0.096 599 HA THR 18 HA THR 18 -3.381 9.679 2.438 600 HB THR 18 HB THR 18 -1.211 9.383 1.254 601 HG1 THR 18 HG1 THR 18 -1.262 11.305 2.159 602 1HG2 THR 18 1HG2 THR 18 -2.861 9.700 -1.076 603 2HG2 THR 18 3HG2 THR 18 -1.659 10.990 -1.050 604 3HG2 THR 18 2HG2 THR 18 -1.146 9.305 -0.987 605 H LEU 19 H LEU 19 -5.857 8.867 0.798 606 HA LEU 19 HA LEU 19 -6.560 11.042 -0.956 607 1HB LEU 19 2HB LEU 19 -8.942 10.345 -0.343 608 2HB LEU 19 1HB LEU 19 -7.902 9.110 -1.028 609 HG LEU 19 HG LEU 19 -7.700 9.195 1.880 610 1HD1 LEU 19 1HD1 LEU 19 -10.376 8.930 0.536 611 2HD1 LEU 19 3HD1 LEU 19 -10.040 8.133 2.071 612 3HD1 LEU 19 2HD1 LEU 19 -9.944 9.891 1.950 613 1HD2 LEU 19 3HD2 LEU 19 -8.075 7.233 -0.347 614 2HD2 LEU 19 2HD2 LEU 19 -6.946 7.198 0.999 615 3HD2 LEU 19 1HD2 LEU 19 -8.624 6.735 1.253 616 HA PRO 20 HA PRO 20 -7.023 14.664 1.338 617 1HB PRO 20 2HB PRO 20 -9.489 15.662 0.645 618 2HB PRO 20 1HB PRO 20 -8.052 15.689 -0.399 619 1HG PRO 20 2HG PRO 20 -10.302 13.714 -0.343 620 2HG PRO 20 1HG PRO 20 -9.560 14.529 -1.733 621 1HD PRO 20 1HD PRO 20 -8.892 12.035 -1.147 622 2HD PRO 20 2HD PRO 20 -7.644 13.196 -1.658 623 H ASN 21 H ASN 21 -9.866 12.550 2.072 624 HA ASN 21 HA ASN 21 -10.098 14.085 4.673 625 1HB ASN 21 2HB ASN 21 -12.151 12.700 2.965 626 2HB ASN 21 1HB ASN 21 -12.503 13.367 4.541 627 1HD2 ASN 21 1HD2 ASN 21 -13.853 14.253 2.234 628 2HD2 ASN 21 2HD2 ASN 21 -13.413 15.867 1.922 629 H LEU 22 H LEU 22 -8.472 11.548 4.229 630 HA LEU 22 HA LEU 22 -10.101 9.693 5.934 631 1HB LEU 22 2HB LEU 22 -9.105 9.257 3.515 632 2HB LEU 22 1HB LEU 22 -7.693 8.820 4.463 633 HG LEU 22 HG LEU 22 -9.312 7.391 5.859 634 1HD1 LEU 22 1HD1 LEU 22 -11.246 8.567 4.348 635 2HD1 LEU 22 3HD1 LEU 22 -10.972 7.093 3.419 636 3HD1 LEU 22 2HD1 LEU 22 -11.435 6.993 5.117 637 1HD2 LEU 22 1HD2 LEU 22 -7.607 6.798 3.898 638 2HD2 LEU 22 3HD2 LEU 22 -8.662 5.581 4.610 639 3HD2 LEU 22 2HD2 LEU 22 -9.098 6.334 3.079 640 H ASN 23 H ASN 23 -9.028 8.435 7.491 641 HA ASN 23 HA ASN 23 -6.479 9.638 8.564 642 1HB ASN 23 2HB ASN 23 -7.327 9.193 10.818 643 2HB ASN 23 1HB ASN 23 -8.480 10.172 9.926 644 1HD2 ASN 23 1HD2 ASN 23 -9.318 8.683 12.196 645 2HD2 ASN 23 2HD2 ASN 23 -10.334 7.425 11.681 646 H ASP 24 H ASP 24 -5.164 8.057 9.893 647 HA ASP 24 HA ASP 24 -4.215 5.950 8.426 648 1HB ASP 24 2HB ASP 24 -3.040 5.222 10.439 649 2HB ASP 24 1HB ASP 24 -3.049 6.971 10.282 650 HA PRO 25 HA PRO 25 -6.724 2.506 10.663 651 1HB PRO 25 2HB PRO 25 -9.312 3.092 11.361 652 2HB PRO 25 1HB PRO 25 -7.945 3.208 12.487 653 1HG PRO 25 2HG PRO 25 -9.296 5.362 10.928 654 2HG PRO 25 1HG PRO 25 -8.753 5.365 12.614 655 1HD PRO 25 1HD PRO 25 -7.343 6.559 10.669 656 2HD PRO 25 2HD PRO 25 -6.568 5.776 12.052 657 H GLN 26 H GLN 26 -8.619 4.896 8.729 658 HA GLN 26 HA GLN 26 -10.215 2.929 7.322 659 1HB GLN 26 2HB GLN 26 -9.381 5.711 6.446 660 2HB GLN 26 1HB GLN 26 -10.795 4.826 5.895 661 1HG GLN 26 2HG GLN 26 -10.392 5.494 8.811 662 2HG GLN 26 1HG GLN 26 -11.132 6.640 7.703 663 1HE2 GLN 26 1HE2 GLN 26 -13.225 6.570 8.490 664 2HE2 GLN 26 2HE2 GLN 26 -14.198 5.180 8.499 665 H LYS 27 H LYS 27 -7.397 4.881 6.178 666 HA LYS 27 HA LYS 27 -6.976 3.642 3.685 667 1HB LYS 27 2HB LYS 27 -4.496 4.226 4.148 668 2HB LYS 27 1HB LYS 27 -5.674 5.530 4.070 669 1HG LYS 27 2HG LYS 27 -5.750 5.112 6.719 670 2HG LYS 27 1HG LYS 27 -4.150 4.466 6.410 671 1HD LYS 27 2HD LYS 27 -4.010 6.858 6.941 672 2HD LYS 27 1HD LYS 27 -3.517 6.566 5.285 673 1HE LYS 27 2HE LYS 27 -5.541 7.450 4.394 674 2HE LYS 27 1HE LYS 27 -6.358 7.369 5.962 675 1HZ LYS 27 2HZ LYS 27 -3.971 9.043 5.363 676 2HZ LYS 27 1HZ LYS 27 -5.565 9.620 5.461 677 3HZ LYS 27 3HZ LYS 27 -4.810 8.988 6.841 678 H LYS 28 H LYS 28 -5.799 2.594 6.864 679 HA LYS 28 HA LYS 28 -4.180 0.384 6.045 680 1HB LYS 28 2HB LYS 28 -5.755 1.263 8.457 681 2HB LYS 28 1HB LYS 28 -5.328 -0.440 8.411 682 1HG LYS 28 2HG LYS 28 -3.135 1.373 7.732 683 2HG LYS 28 1HG LYS 28 -3.714 1.540 9.377 684 1HD LYS 28 2HD LYS 28 -3.092 -0.594 9.966 685 2HD LYS 28 1HD LYS 28 -3.336 -1.227 8.338 686 1HE LYS 28 2HE LYS 28 -1.252 -0.407 7.571 687 2HE LYS 28 1HE LYS 28 -1.081 0.691 8.953 688 1HZ LYS 28 2HZ LYS 28 -1.275 -2.260 9.270 689 2HZ LYS 28 1HZ LYS 28 0.212 -1.455 9.104 690 3HZ LYS 28 3HZ LYS 28 -0.791 -1.114 10.429 691 H ALA 29 H ALA 29 -7.677 0.602 6.867 692 HA ALA 29 HA ALA 29 -8.427 -2.113 6.676 693 1HB ALA 29 3HB ALA 29 -10.660 -1.248 6.628 694 2HB ALA 29 2HB ALA 29 -9.706 -0.090 7.555 695 3HB ALA 29 1HB ALA 29 -10.131 0.258 5.878 696 H PHE 30 H PHE 30 -8.667 0.367 4.002 697 HA PHE 30 HA PHE 30 -9.438 -1.795 2.176 698 1HB PHE 30 2HB PHE 30 -8.586 0.486 0.658 699 2HB PHE 30 1HB PHE 30 -10.178 -0.217 0.796 700 HD1 PHE 30 HD1 PHE 30 -7.839 2.153 2.386 701 HD2 PHE 30 HD2 PHE 30 -11.915 0.960 1.888 702 HE1 PHE 30 HE1 PHE 30 -8.602 4.286 3.381 703 HE2 PHE 30 HE2 PHE 30 -12.674 3.067 2.901 704 HZ PHE 30 HZ PHE 30 -11.016 4.746 3.653 705 H ILE 31 H ILE 31 -6.332 -0.162 2.944 706 HA ILE 31 HA ILE 31 -4.948 -1.125 0.608 707 HB ILE 31 HB ILE 31 -4.089 -0.235 3.341 708 1HG1 ILE 31 2HG1 ILE 31 -4.366 0.824 0.613 709 2HG1 ILE 31 1HG1 ILE 31 -4.218 1.699 2.139 710 1HG2 ILE 31 3HG2 ILE 31 -2.592 -2.193 2.511 711 2HG2 ILE 31 2HG2 ILE 31 -2.134 -1.123 1.174 712 3HG2 ILE 31 1HG2 ILE 31 -1.763 -0.673 2.830 713 1HD1 ILE 31 3HD1 ILE 31 -1.870 0.384 0.808 714 2HD1 ILE 31 2HD1 ILE 31 -2.386 2.012 0.408 715 3HD1 ILE 31 1HD1 ILE 31 -1.878 1.631 2.064 716 H PHE 32 H PHE 32 -5.232 -2.516 3.901 717 HA PHE 32 HA PHE 32 -3.715 -4.875 3.357 718 1HB PHE 32 2HB PHE 32 -5.708 -3.959 5.411 719 2HB PHE 32 1HB PHE 32 -5.279 -5.668 5.380 720 HD1 PHE 32 HD1 PHE 32 -3.416 -2.285 5.069 721 HD2 PHE 32 HD2 PHE 32 -3.452 -6.340 6.781 722 HE1 PHE 32 HE1 PHE 32 -1.296 -1.895 6.207 723 HE2 PHE 32 HE2 PHE 32 -1.323 -5.838 7.848 724 HZ PHE 32 HZ PHE 32 -0.251 -3.685 7.535 725 H SER 33 H SER 33 -7.201 -4.138 2.838 726 HA SER 33 HA SER 33 -7.815 -6.847 1.867 727 1HB SER 33 2HB SER 33 -9.981 -5.870 1.322 728 2HB SER 33 1HB SER 33 -9.481 -5.266 2.893 729 HG SER 33 HG SER 33 -10.289 -3.654 1.414 730 H LEU 34 H LEU 34 -6.700 -3.785 0.444 731 HA LEU 34 HA LEU 34 -7.076 -4.343 -2.367 732 1HB LEU 34 2HB LEU 34 -6.539 -2.118 -1.329 733 2HB LEU 34 1HB LEU 34 -4.949 -2.704 -0.913 734 HG LEU 34 HG LEU 34 -4.797 -3.181 -3.489 735 1HD1 LEU 34 2HD1 LEU 34 -7.118 -1.294 -3.229 736 2HD1 LEU 34 1HD1 LEU 34 -6.052 -1.190 -4.631 737 3HD1 LEU 34 3HD1 LEU 34 -6.928 -2.683 -4.301 738 1HD2 LEU 34 2HD2 LEU 34 -3.786 -1.231 -1.847 739 2HD2 LEU 34 1HD2 LEU 34 -3.435 -1.326 -3.574 740 3HD2 LEU 34 3HD2 LEU 34 -4.706 -0.254 -2.991 741 H TRP 35 H TRP 35 -4.434 -4.948 -0.063 742 HA TRP 35 HA TRP 35 -2.523 -6.089 -1.869 743 1HB TRP 35 2HB TRP 35 -2.127 -5.224 0.436 744 2HB TRP 35 1HB TRP 35 -2.981 -6.627 1.080 745 HD1 TRP 35 HD1 TRP 35 -1.567 -8.739 1.438 746 HE1 TRP 35 HE1 TRP 35 0.723 -9.544 0.627 747 HE3 TRP 35 HE3 TRP 35 -0.403 -4.953 -1.730 748 HZ2 TRP 35 HZ2 TRP 35 2.812 -8.663 -1.139 749 HZ3 TRP 35 HZ3 TRP 35 1.727 -4.957 -2.966 750 HH2 TRP 35 HH2 TRP 35 3.313 -6.807 -2.686 751 H ASP 36 H ASP 36 -5.022 -7.603 0.230 752 HA ASP 36 HA ASP 36 -4.387 -10.334 -0.507 753 1HB ASP 36 2HB ASP 36 -5.696 -9.144 1.535 754 2HB ASP 36 1HB ASP 36 -7.082 -9.558 0.528 755 H ASP 37 H ASP 37 -6.946 -8.021 -1.490 756 HA ASP 37 HA ASP 37 -7.431 -9.717 -3.879 757 1HB ASP 37 2HB ASP 37 -9.413 -8.523 -1.923 758 2HB ASP 37 1HB ASP 37 -9.895 -9.146 -3.501 759 HA PRO 38 HA PRO 38 -6.769 -5.250 -5.041 760 1HB PRO 38 2HB PRO 38 -5.044 -5.739 -7.084 761 2HB PRO 38 1HB PRO 38 -4.533 -5.513 -5.409 762 1HG PRO 38 2HG PRO 38 -4.906 -8.046 -6.934 763 2HG PRO 38 1HG PRO 38 -3.632 -7.594 -5.794 764 1HD PRO 38 1HD PRO 38 -5.689 -9.201 -5.107 765 2HD PRO 38 2HD PRO 38 -4.886 -8.105 -3.957 766 H SER 39 H SER 39 -8.148 -8.051 -6.440 767 HA SER 39 HA SER 39 -8.692 -7.298 -9.147 768 1HB SER 39 2HB SER 39 -9.280 -9.387 -7.494 769 2HB SER 39 1HB SER 39 -10.843 -8.580 -7.525 770 HG SER 39 HG SER 39 -11.033 -8.994 -9.620 771 H GLN 40 H GLN 40 -10.153 -6.402 -6.051 772 HA GLN 40 HA GLN 40 -12.206 -4.635 -7.277 773 1HB GLN 40 2HB GLN 40 -11.528 -4.933 -4.348 774 2HB GLN 40 1HB GLN 40 -13.077 -4.503 -5.066 775 1HG GLN 40 2HG GLN 40 -12.861 -6.931 -6.130 776 2HG GLN 40 1HG GLN 40 -11.786 -7.176 -4.753 777 1HE2 GLN 40 1HE2 GLN 40 -13.029 -5.741 -2.711 778 2HE2 GLN 40 2HE2 GLN 40 -14.582 -6.364 -2.423 779 H SER 41 H SER 41 -9.064 -4.093 -7.281 780 HA SER 41 HA SER 41 -8.380 -2.028 -5.501 781 1HB SER 41 2HB SER 41 -6.721 -1.422 -7.218 782 2HB SER 41 1HB SER 41 -6.806 -3.152 -6.938 783 HG SER 41 HG SER 41 -7.235 -3.331 -8.987 784 H ALA 42 H ALA 42 -10.172 -1.779 -8.589 785 HA ALA 42 HA ALA 42 -10.252 1.106 -8.780 786 1HB ALA 42 3HB ALA 42 -12.327 -0.952 -9.631 787 2HB ALA 42 2HB ALA 42 -12.072 0.643 -10.347 788 3HB ALA 42 1HB ALA 42 -10.854 -0.618 -10.549 789 H ASN 43 H ASN 43 -12.494 -1.311 -7.422 790 HA ASN 43 HA ASN 43 -14.390 0.511 -6.290 791 1HB ASN 43 2HB ASN 43 -13.651 -2.390 -5.976 792 2HB ASN 43 1HB ASN 43 -14.918 -1.680 -4.973 793 1HD2 ASN 43 1HD2 ASN 43 -14.249 -3.037 -8.078 794 2HD2 ASN 43 2HD2 ASN 43 -15.727 -2.642 -8.811 795 H LEU 44 H LEU 44 -11.339 -0.887 -5.089 796 HA LEU 44 HA LEU 44 -11.698 -0.235 -2.284 797 1HB LEU 44 2HB LEU 44 -9.603 -1.184 -4.154 798 2HB LEU 44 1HB LEU 44 -9.013 -0.394 -2.695 799 HG LEU 44 HG LEU 44 -11.216 -2.341 -2.319 800 1HD1 LEU 44 1HD1 LEU 44 -8.829 -3.042 -3.788 801 2HD1 LEU 44 3HD1 LEU 44 -8.835 -3.866 -2.227 802 3HD1 LEU 44 2HD1 LEU 44 -10.192 -4.076 -3.338 803 1HD2 LEU 44 3HD2 LEU 44 -8.941 -1.109 -0.893 804 2HD2 LEU 44 2HD2 LEU 44 -10.494 -1.688 -0.271 805 3HD2 LEU 44 1HD2 LEU 44 -9.170 -2.829 -0.538 806 H LEU 45 H LEU 45 -9.994 1.281 -4.934 807 HA LEU 45 HA LEU 45 -8.974 3.600 -3.653 808 1HB LEU 45 2HB LEU 45 -8.223 2.897 -5.854 809 2HB LEU 45 1HB LEU 45 -9.860 2.971 -6.490 810 HG LEU 45 HG LEU 45 -9.894 5.346 -6.415 811 1HD1 LEU 45 2HD1 LEU 45 -7.550 4.979 -4.580 812 2HD1 LEU 45 1HD1 LEU 45 -7.705 6.479 -5.500 813 3HD1 LEU 45 3HD1 LEU 45 -8.984 5.994 -4.388 814 1HD2 LEU 45 2HD2 LEU 45 -7.136 4.432 -7.282 815 2HD2 LEU 45 1HD2 LEU 45 -8.594 4.403 -8.273 816 3HD2 LEU 45 3HD2 LEU 45 -7.908 5.946 -7.763 817 H ALA 46 H ALA 46 -12.030 2.985 -5.400 818 HA ALA 46 HA ALA 46 -13.193 5.579 -4.994 819 1HB ALA 46 1HB ALA 46 -15.260 4.369 -5.631 820 2HB ALA 46 3HB ALA 46 -13.913 3.836 -6.639 821 3HB ALA 46 2HB ALA 46 -14.460 2.832 -5.298 822 H GLU 47 H GLU 47 -13.349 2.502 -3.163 823 HA GLU 47 HA GLU 47 -15.149 3.190 -1.084 824 1HB GLU 47 2HB GLU 47 -14.123 0.935 -1.651 825 2HB GLU 47 1HB GLU 47 -12.623 1.492 -0.911 826 1HG GLU 47 2HG GLU 47 -13.885 1.884 1.219 827 2HG GLU 47 1HG GLU 47 -15.313 1.189 0.464 828 H ALA 48 H ALA 48 -11.716 3.890 -1.552 829 HA ALA 48 HA ALA 48 -11.093 4.938 1.052 830 1HB ALA 48 2HB ALA 48 -9.060 4.865 0.039 831 2HB ALA 48 3HB ALA 48 -9.541 6.163 -1.048 832 3HB ALA 48 1HB ALA 48 -9.849 4.474 -1.500 833 H LYS 49 H LYS 49 -11.814 6.645 -2.048 834 HA LYS 49 HA LYS 49 -12.011 9.290 -0.952 835 1HB LYS 49 2HB LYS 49 -13.120 7.908 -3.404 836 2HB LYS 49 1HB LYS 49 -13.410 9.620 -3.103 837 1HG LYS 49 2HG LYS 49 -11.444 9.959 -4.188 838 2HG LYS 49 1HG LYS 49 -10.692 9.426 -2.687 839 1HD LYS 49 2HD LYS 49 -10.151 7.361 -3.521 840 2HD LYS 49 1HD LYS 49 -11.575 7.285 -4.553 841 1HE LYS 49 2HE LYS 49 -9.716 7.488 -6.048 842 2HE LYS 49 1HE LYS 49 -10.429 9.111 -5.981 843 1HZ LYS 49 2HZ LYS 49 -8.292 8.260 -4.099 844 2HZ LYS 49 1HZ LYS 49 -7.929 8.948 -5.608 845 3HZ LYS 49 3HZ LYS 49 -8.808 9.839 -4.464 846 H LYS 50 H LYS 50 -14.541 6.841 -1.609 847 HA LYS 50 HA LYS 50 -16.824 8.365 -0.776 848 1HB LYS 50 2HB LYS 50 -16.191 5.395 -0.800 849 2HB LYS 50 1HB LYS 50 -17.804 6.034 -0.478 850 1HG LYS 50 2HG LYS 50 -17.838 7.140 -2.664 851 2HG LYS 50 1HG LYS 50 -16.194 6.594 -2.992 852 1HD LYS 50 2HD LYS 50 -16.997 4.226 -2.753 853 2HD LYS 50 1HD LYS 50 -18.644 4.845 -2.616 854 1HE LYS 50 2HE LYS 50 -18.668 5.624 -4.850 855 2HE LYS 50 1HE LYS 50 -16.899 5.594 -4.975 856 1HZ LYS 50 3HZ LYS 50 -16.971 3.174 -4.696 857 2HZ LYS 50 2HZ LYS 50 -18.670 3.220 -4.646 858 3HZ LYS 50 1HZ LYS 50 -17.846 3.659 -6.064 859 H LEU 51 H LEU 51 -14.618 6.229 1.079 860 HA LEU 51 HA LEU 51 -16.026 6.475 3.597 861 1HB LEU 51 2HB LEU 51 -14.432 4.660 2.926 862 2HB LEU 51 1HB LEU 51 -13.106 5.815 3.011 863 HG LEU 51 HG LEU 51 -13.253 5.975 5.371 864 1HD1 LEU 51 3HD1 LEU 51 -16.055 4.860 5.063 865 2HD1 LEU 51 2HD1 LEU 51 -15.240 4.948 6.623 866 3HD1 LEU 51 1HD1 LEU 51 -15.582 6.426 5.724 867 1HD2 LEU 51 3HD2 LEU 51 -13.718 3.221 4.296 868 2HD2 LEU 51 2HD2 LEU 51 -12.333 3.866 5.178 869 3HD2 LEU 51 1HD2 LEU 51 -13.803 3.435 6.044 870 H ASN 52 H ASN 52 -13.394 8.339 2.041 871 HA ASN 52 HA ASN 52 -12.745 10.083 4.237 872 1HB ASN 52 2HB ASN 52 -11.316 10.906 2.675 873 2HB ASN 52 1HB ASN 52 -11.878 9.593 1.682 874 1HD2 ASN 52 1HD2 ASN 52 -11.271 10.942 -0.222 875 2HD2 ASN 52 2HD2 ASN 52 -12.316 12.177 -0.738 876 H ASP 53 H ASP 53 -15.289 10.133 1.759 877 HA ASP 53 HA ASP 53 -16.269 12.759 2.188 878 1HB ASP 53 2HB ASP 53 -16.737 11.078 0.310 879 2HB ASP 53 1HB ASP 53 -17.897 10.323 1.402 880 H ALA 54 H ALA 54 -16.912 9.679 3.868 881 HA ALA 54 HA ALA 54 -19.240 10.513 5.372 882 1HB ALA 54 1HB ALA 54 -18.092 8.185 4.829 883 2HB ALA 54 3HB ALA 54 -17.241 8.491 6.344 884 3HB ALA 54 2HB ALA 54 -19.002 8.394 6.327 885 H GLN 55 H GLN 55 -15.736 10.616 6.009 886 HA GLN 55 HA GLN 55 -16.005 11.673 8.735 887 1HB GLN 55 2HB GLN 55 -13.766 11.180 6.756 888 2HB GLN 55 1HB GLN 55 -13.460 11.852 8.346 889 1HG GLN 55 2HG GLN 55 -14.380 9.893 9.434 890 2HG GLN 55 1HG GLN 55 -14.921 9.239 7.886 891 1HE2 GLN 55 1HE2 GLN 55 -12.806 9.454 6.217 892 2HE2 GLN 55 2HE2 GLN 55 -11.433 8.660 6.837 893 H ALA 56 H ALA 56 -15.378 12.961 5.473 894 HA ALA 56 HA ALA 56 -15.890 15.734 6.418 895 1HB ALA 56 3HB ALA 56 -13.322 14.492 5.712 896 2HB ALA 56 1HB ALA 56 -13.632 15.974 6.616 897 3HB ALA 56 2HB ALA 56 -13.632 16.000 4.853 898 HA PRO 57 HA PRO 57 -17.699 15.892 2.340 899 1HB PRO 57 2HB PRO 57 -17.714 18.589 1.895 900 2HB PRO 57 1HB PRO 57 -18.834 17.792 3.019 901 1HG PRO 57 2HG PRO 57 -16.337 19.297 3.584 902 2HG PRO 57 1HG PRO 57 -17.868 19.282 4.473 903 1HD PRO 57 1HD PRO 57 -15.646 17.901 5.257 904 2HD PRO 57 2HD PRO 57 -17.306 17.404 5.658 905 H LYS 58 H LYS 58 -16.929 15.893 0.202 906 HA LYS 58 HA LYS 58 -14.054 16.183 -0.240 907 1HB LYS 58 2HB LYS 58 -16.438 15.603 -2.027 908 2HB LYS 58 1HB LYS 58 -14.783 15.639 -2.633 909 1HG LYS 58 2HG LYS 58 -14.164 13.891 -0.965 910 2HG LYS 58 1HG LYS 58 -15.850 13.816 -0.453 911 1HD LYS 58 2HD LYS 58 -16.464 13.293 -2.853 912 2HD LYS 58 1HD LYS 58 -14.740 13.154 -3.195 913 1HE LYS 58 2HE LYS 58 -14.772 11.015 -2.445 914 2HE LYS 58 1HE LYS 58 -15.305 11.586 -0.854 915 1HZ LYS 58 2HZ LYS 58 -17.587 11.733 -1.763 916 2HZ LYS 58 1HZ LYS 58 -17.036 11.027 -3.209 917 3HZ LYS 58 3HZ LYS 58 -16.983 10.145 -1.762 No H/Q in entry = 917 Start of MODEL 22 1 H1 VAL 1 2H VAL 1 0.273 -18.014 2.096 2 H2 VAL 1 1H VAL 1 1.398 -18.122 0.827 3 H3 VAL 1 3H VAL 1 0.709 -19.529 1.471 4 HA VAL 1 HA VAL 1 2.871 -19.440 2.390 5 HB VAL 1 HB VAL 1 3.575 -17.291 3.583 6 1HG1 VAL 1 2HG1 VAL 1 4.015 -18.076 1.069 7 2HG1 VAL 1 1HG1 VAL 1 3.126 -16.594 0.720 8 3HG1 VAL 1 3HG1 VAL 1 4.603 -16.532 1.681 9 1HG2 VAL 1 3HG2 VAL 1 1.331 -16.270 3.792 10 2HG2 VAL 1 2HG2 VAL 1 2.430 -15.207 2.914 11 3HG2 VAL 1 1HG2 VAL 1 1.223 -16.141 2.036 12 H ASP 2 H ASP 2 3.465 -19.102 4.874 13 HA ASP 2 HA ASP 2 1.361 -20.361 6.444 14 1HB ASP 2 2HB ASP 2 3.081 -20.553 8.087 15 2HB ASP 2 1HB ASP 2 3.930 -20.635 6.549 16 H ASN 3 H ASN 3 1.199 -19.298 8.886 17 HA ASN 3 HA ASN 3 -0.286 -16.793 8.532 18 1HB ASN 3 2HB ASN 3 -0.806 -18.780 10.078 19 2HB ASN 3 1HB ASN 3 0.491 -18.186 11.115 20 1HD2 ASN 3 1HD2 ASN 3 -0.087 -16.567 12.614 21 2HD2 ASN 3 2HD2 ASN 3 -1.533 -15.680 12.552 22 H LYS 4 H LYS 4 1.751 -15.684 7.682 23 HA LYS 4 HA LYS 4 2.933 -13.983 9.748 24 1HB LYS 4 2HB LYS 4 4.330 -15.974 9.982 25 2HB LYS 4 1HB LYS 4 4.572 -16.058 8.241 26 1HG LYS 4 2HG LYS 4 5.860 -13.999 8.254 27 2HG LYS 4 1HG LYS 4 5.488 -13.729 9.959 28 1HD LYS 4 2HD LYS 4 7.719 -14.650 9.820 29 2HD LYS 4 1HD LYS 4 6.662 -15.897 10.482 30 1HE LYS 4 2HE LYS 4 6.624 -16.117 7.609 31 2HE LYS 4 1HE LYS 4 8.312 -16.070 8.153 32 1HZ LYS 4 1HZ LYS 4 6.191 -17.789 9.346 33 2HZ LYS 4 3HZ LYS 4 7.358 -18.325 8.237 34 3HZ LYS 4 2HZ LYS 4 7.837 -17.776 9.770 35 H PHE 5 H PHE 5 3.982 -15.097 6.490 36 HA PHE 5 HA PHE 5 4.596 -12.507 5.504 37 1HB PHE 5 2HB PHE 5 3.953 -15.111 4.099 38 2HB PHE 5 1HB PHE 5 4.628 -13.700 3.287 39 HD1 PHE 5 HD1 PHE 5 5.610 -16.739 4.344 40 HD2 PHE 5 HD2 PHE 5 6.600 -12.625 5.099 41 HE1 PHE 5 HE1 PHE 5 7.867 -17.417 5.104 42 HE2 PHE 5 HE2 PHE 5 8.855 -13.309 5.857 43 HZ PHE 5 HZ PHE 5 9.486 -15.701 5.862 44 H ASN 6 H ASN 6 1.504 -14.274 5.503 45 HA ASN 6 HA ASN 6 0.076 -12.932 3.471 46 1HB ASN 6 2HB ASN 6 -0.711 -13.964 6.211 47 2HB ASN 6 1HB ASN 6 -1.906 -13.314 5.091 48 1HD2 ASN 6 1HD2 ASN 6 -1.439 -14.347 2.663 49 2HD2 ASN 6 2HD2 ASN 6 -1.290 -16.036 2.684 50 H LYS 7 H LYS 7 0.493 -11.843 6.901 51 HA LYS 7 HA LYS 7 -0.655 -9.208 6.157 52 1HB LYS 7 2HB LYS 7 -1.502 -10.083 8.180 53 2HB LYS 7 1HB LYS 7 0.130 -10.467 8.782 54 1HG LYS 7 2HG LYS 7 0.640 -8.035 8.820 55 2HG LYS 7 1HG LYS 7 -0.995 -7.694 8.251 56 1HD LYS 7 2HD LYS 7 -1.954 -8.658 10.215 57 2HD LYS 7 1HD LYS 7 -0.371 -9.246 10.751 58 1HE LYS 7 2HE LYS 7 0.409 -6.868 10.924 59 2HE LYS 7 1HE LYS 7 -1.227 -6.333 10.497 60 1HZ LYS 7 3HZ LYS 7 -0.536 -8.098 12.794 61 2HZ LYS 7 2HZ LYS 7 -0.944 -6.452 12.906 62 3HZ LYS 7 1HZ LYS 7 -2.099 -7.580 12.378 63 H GLU 8 H GLU 8 2.535 -10.621 6.906 64 HA GLU 8 HA GLU 8 3.946 -8.183 7.457 65 1HB GLU 8 2HB GLU 8 4.763 -10.775 6.114 66 2HB GLU 8 1HB GLU 8 5.892 -9.447 6.363 67 1HG GLU 8 2HG GLU 8 4.357 -10.897 8.535 68 2HG GLU 8 1HG GLU 8 6.083 -11.066 8.175 69 H GLN 9 H GLN 9 3.035 -9.816 4.432 70 HA GLN 9 HA GLN 9 4.212 -7.933 2.629 71 1HB GLN 9 2HB GLN 9 1.869 -9.842 2.419 72 2HB GLN 9 1HB GLN 9 2.498 -8.931 1.056 73 1HG GLN 9 2HG GLN 9 4.627 -10.047 1.193 74 2HG GLN 9 1HG GLN 9 4.155 -10.862 2.687 75 1HE2 GLN 9 1HE2 GLN 9 3.469 -10.704 -0.825 76 2HE2 GLN 9 2HE2 GLN 9 2.688 -12.209 -0.900 77 H GLN 10 H GLN 10 1.042 -8.252 4.201 78 HA GLN 10 HA GLN 10 -0.350 -6.021 3.020 79 1HB GLN 10 2HB GLN 10 -0.772 -8.083 4.868 80 2HB GLN 10 1HB GLN 10 -1.004 -6.617 5.790 81 1HG GLN 10 2HG GLN 10 -3.051 -6.451 4.893 82 2HG GLN 10 1HG GLN 10 -2.298 -6.167 3.347 83 1HE2 GLN 10 1HE2 GLN 10 -2.619 -9.156 5.393 84 2HE2 GLN 10 2HE2 GLN 10 -3.327 -10.087 4.165 85 H ASN 11 H ASN 11 1.563 -6.295 6.027 86 HA ASN 11 HA ASN 11 1.285 -3.515 6.798 87 1HB ASN 11 2HB ASN 11 1.887 -5.601 8.213 88 2HB ASN 11 1HB ASN 11 3.520 -5.433 7.558 89 1HD2 ASN 11 1HD2 ASN 11 4.861 -3.775 8.445 90 2HD2 ASN 11 2HD2 ASN 11 4.341 -2.700 9.651 91 H ALA 12 H ALA 12 3.888 -5.409 5.197 92 HA ALA 12 HA ALA 12 5.740 -3.246 4.841 93 1HB ALA 12 1HB ALA 12 5.207 -5.892 3.480 94 2HB ALA 12 2HB ALA 12 6.571 -5.443 4.516 95 3HB ALA 12 3HB ALA 12 6.455 -4.797 2.874 96 H PHE 13 H PHE 13 3.118 -4.546 2.803 97 HA PHE 13 HA PHE 13 3.376 -2.851 0.517 98 1HB PHE 13 2HB PHE 13 1.887 -4.791 0.529 99 2HB PHE 13 1HB PHE 13 1.020 -4.182 1.930 100 HD1 PHE 13 HD1 PHE 13 2.076 -2.548 -1.256 101 HD2 PHE 13 HD2 PHE 13 -1.157 -3.674 1.305 102 HE1 PHE 13 HE1 PHE 13 0.478 -1.491 -2.804 103 HE2 PHE 13 HE2 PHE 13 -2.760 -2.598 -0.232 104 HZ PHE 13 HZ PHE 13 -1.939 -1.509 -2.282 105 H TYR 14 H TYR 14 1.235 -2.549 3.352 106 HA TYR 14 HA TYR 14 0.179 0.016 2.957 107 1HB TYR 14 2HB TYR 14 -0.438 -1.681 4.636 108 2HB TYR 14 1HB TYR 14 1.032 -1.305 5.534 109 HD1 TYR 14 HD1 TYR 14 1.180 0.631 6.906 110 HD2 TYR 14 HD2 TYR 14 -2.149 0.141 4.258 111 HE1 TYR 14 HE1 TYR 14 0.005 2.509 8.003 112 HE2 TYR 14 HE2 TYR 14 -3.306 1.906 5.339 113 HH TYR 14 HH TYR 14 -2.390 3.267 8.315 114 H GLU 15 H GLU 15 3.069 -0.819 4.971 115 HA GLU 15 HA GLU 15 3.841 1.851 5.595 116 1HB GLU 15 2HB GLU 15 5.420 -0.725 5.330 117 2HB GLU 15 1HB GLU 15 6.079 0.758 6.020 118 1HG GLU 15 2HG GLU 15 3.651 -0.746 7.072 119 2HG GLU 15 1HG GLU 15 5.255 -0.760 7.795 120 H ILE 16 H ILE 16 4.854 -0.269 2.840 121 HA ILE 16 HA ILE 16 6.721 1.509 1.601 122 HB ILE 16 HB ILE 16 4.878 -0.712 0.760 123 1HG1 ILE 16 2HG1 ILE 16 7.757 -0.490 0.006 124 2HG1 ILE 16 1HG1 ILE 16 7.390 -0.626 1.723 125 1HG2 ILE 16 3HG2 ILE 16 6.278 1.108 -1.200 126 2HG2 ILE 16 2HG2 ILE 16 5.786 -0.539 -1.601 127 3HG2 ILE 16 1HG2 ILE 16 4.572 0.663 -1.171 128 1HD1 ILE 16 2HD1 ILE 16 5.876 -2.490 0.021 129 2HD1 ILE 16 1HD1 ILE 16 7.640 -2.747 0.016 130 3HD1 ILE 16 3HD1 ILE 16 6.744 -2.776 1.536 131 H LEU 17 H LEU 17 3.168 1.302 1.225 132 HA LEU 17 HA LEU 17 2.891 3.607 -0.543 133 1HB LEU 17 2HB LEU 17 0.930 2.291 1.373 134 2HB LEU 17 1HB LEU 17 0.495 3.421 0.100 135 HG LEU 17 HG LEU 17 2.101 1.218 -0.923 136 1HD1 LEU 17 3HD1 LEU 17 0.296 0.464 1.062 137 2HD1 LEU 17 2HD1 LEU 17 -0.571 0.207 -0.460 138 3HD1 LEU 17 1HD1 LEU 17 0.985 -0.565 -0.188 139 1HD2 LEU 17 3HD2 LEU 17 0.420 2.931 -2.034 140 2HD2 LEU 17 2HD2 LEU 17 0.593 1.269 -2.649 141 3HD2 LEU 17 1HD2 LEU 17 -0.755 1.672 -1.572 142 H HIS 18 H HIS 18 2.662 3.220 3.025 143 HA HIS 18 HA HIS 18 1.906 6.021 3.441 144 1HB HIS 18 2HB HIS 18 2.506 3.644 5.203 145 2HB HIS 18 1HB HIS 18 2.209 5.240 5.893 146 HD1 HIS 18 HD1 HIS 18 -0.220 6.135 5.835 147 HD2 HIS 18 HD2 HIS 18 0.173 2.474 3.915 148 HE1 HIS 18 HE1 HIS 18 -2.551 5.256 5.282 149 H LEU 19 H LEU 19 4.961 4.673 2.776 150 HA LEU 19 HA LEU 19 6.587 6.172 4.666 151 1HB LEU 19 2HB LEU 19 7.019 4.695 2.074 152 2HB LEU 19 1HB LEU 19 8.309 5.725 2.688 153 HG LEU 19 HG LEU 19 6.984 3.528 4.306 154 1HD1 LEU 19 1HD1 LEU 19 9.424 3.545 2.546 155 2HD1 LEU 19 3HD1 LEU 19 9.347 2.475 3.950 156 3HD1 LEU 19 2HD1 LEU 19 8.150 2.332 2.661 157 1HD2 LEU 19 3HD2 LEU 19 8.459 5.694 5.181 158 2HD2 LEU 19 2HD2 LEU 19 8.272 4.169 6.047 159 3HD2 LEU 19 1HD2 LEU 19 9.681 4.432 5.022 160 HA PRO 20 HA PRO 20 5.730 10.152 2.825 161 1HB PRO 20 2HB PRO 20 7.688 11.573 4.127 162 2HB PRO 20 1HB PRO 20 6.147 11.097 4.868 163 1HG PRO 20 2HG PRO 20 8.819 9.772 5.057 164 2HG PRO 20 1HG PRO 20 7.645 10.123 6.339 165 1HD PRO 20 1HD PRO 20 7.849 7.674 5.294 166 2HD PRO 20 2HD PRO 20 6.267 8.351 5.750 167 H ASN 21 H ASN 21 8.933 8.604 2.533 168 HA ASN 21 HA ASN 21 9.637 10.578 0.398 169 1HB ASN 21 2HB ASN 21 11.222 8.684 2.128 170 2HB ASN 21 1HB ASN 21 11.941 9.513 0.750 171 1HD2 ASN 21 1HD2 ASN 21 11.247 9.855 4.085 172 2HD2 ASN 21 2HD2 ASN 21 11.469 11.532 4.195 173 H LEU 22 H LEU 22 8.004 7.717 0.421 174 HA LEU 22 HA LEU 22 9.459 6.507 -1.876 175 1HB LEU 22 2HB LEU 22 7.166 5.632 -0.103 176 2HB LEU 22 1HB LEU 22 7.547 4.776 -1.590 177 HG LEU 22 HG LEU 22 9.102 4.912 0.974 178 1HD1 LEU 22 3HD1 LEU 22 8.419 2.829 -1.108 179 2HD1 LEU 22 2HD1 LEU 22 9.539 2.504 0.226 180 3HD1 LEU 22 1HD1 LEU 22 7.851 2.912 0.563 181 1HD2 LEU 22 3HD2 LEU 22 10.316 4.595 -1.785 182 2HD2 LEU 22 2HD2 LEU 22 10.792 5.745 -0.521 183 3HD2 LEU 22 1HD2 LEU 22 11.104 4.016 -0.315 184 H ASN 23 H ASN 23 8.624 6.486 -3.930 185 HA ASN 23 HA ASN 23 6.080 8.024 -4.401 186 1HB ASN 23 2HB ASN 23 7.173 8.689 -6.591 187 2HB ASN 23 1HB ASN 23 7.919 9.359 -5.161 188 1HD2 ASN 23 1HD2 ASN 23 10.078 9.562 -6.007 189 2HD2 ASN 23 2HD2 ASN 23 11.003 8.225 -6.491 190 H GLU 24 H GLU 24 5.585 7.478 -7.015 191 HA GLU 24 HA GLU 24 4.523 4.820 -6.941 192 1HB GLU 24 2HB GLU 24 3.760 6.803 -8.349 193 2HB GLU 24 1HB GLU 24 5.091 6.422 -9.447 194 1HG GLU 24 2HG GLU 24 4.209 4.139 -9.752 195 2HG GLU 24 1HG GLU 24 2.895 4.487 -8.632 196 H GLU 25 H GLU 25 7.657 6.001 -8.144 197 HA GLU 25 HA GLU 25 8.332 3.584 -9.608 198 1HB GLU 25 2HB GLU 25 9.380 5.842 -9.899 199 2HB GLU 25 1HB GLU 25 10.125 5.670 -8.312 200 1HG GLU 25 2HG GLU 25 11.774 5.003 -9.944 201 2HG GLU 25 1HG GLU 25 11.208 3.535 -9.146 202 H GLN 26 H GLN 26 9.321 4.762 -6.342 203 HA GLN 26 HA GLN 26 10.650 2.263 -5.606 204 1HB GLN 26 2HB GLN 26 9.798 4.758 -4.144 205 2HB GLN 26 1HB GLN 26 10.634 3.434 -3.338 206 1HG GLN 26 2HG GLN 26 12.614 4.155 -4.128 207 2HG GLN 26 1HG GLN 26 12.024 4.043 -5.783 208 1HE2 GLN 26 1HE2 GLN 26 11.005 6.253 -3.101 209 2HE2 GLN 26 2HE2 GLN 26 11.325 7.674 -3.967 210 H ARG 27 H ARG 27 7.602 3.793 -4.468 211 HA ARG 27 HA ARG 27 6.800 1.718 -2.707 212 1HB ARG 27 2HB ARG 27 5.783 3.908 -2.681 213 2HB ARG 27 1HB ARG 27 5.269 3.753 -4.357 214 1HG ARG 27 2HG ARG 27 3.897 1.700 -3.516 215 2HG ARG 27 1HG ARG 27 4.141 2.397 -1.918 216 1HD ARG 27 2HD ARG 27 1.988 3.123 -3.034 217 2HD ARG 27 1HD ARG 27 3.045 4.468 -2.602 218 HE ARG 27 HE ARG 27 3.127 3.307 -5.363 219 1HH1 ARG 27 1HH1 ARG 27 1.602 4.967 -6.472 220 2HH1 ARG 27 2HH1 ARG 27 2.120 6.604 -6.268 221 1HH2 ARG 27 1HH2 ARG 27 4.352 5.872 -3.707 222 2HH2 ARG 27 2HH2 ARG 27 3.672 7.117 -4.697 223 H ASN 28 H ASN 28 5.856 2.177 -6.202 224 HA ASN 28 HA ASN 28 4.181 -0.168 -6.347 225 1HB ASN 28 2HB ASN 28 4.146 1.746 -7.922 226 2HB ASN 28 1HB ASN 28 5.725 1.270 -8.490 227 1HD2 ASN 28 1HD2 ASN 28 4.941 0.831 -10.660 228 2HD2 ASN 28 2HD2 ASN 28 3.989 -0.534 -10.988 229 H ALA 29 H ALA 29 7.630 0.377 -7.185 230 HA ALA 29 HA ALA 29 8.259 -2.193 -8.257 231 1HB ALA 29 2HB ALA 29 9.650 -0.059 -8.054 232 2HB ALA 29 3HB ALA 29 10.504 -1.572 -7.736 233 3HB ALA 29 1HB ALA 29 9.975 -0.561 -6.390 234 H PHE 30 H PHE 30 8.085 -0.984 -4.931 235 HA PHE 30 HA PHE 30 8.969 -3.356 -3.582 236 1HB PHE 30 2HB PHE 30 7.366 -0.891 -2.929 237 2HB PHE 30 1HB PHE 30 7.523 -2.180 -1.739 238 HD1 PHE 30 HD1 PHE 30 8.666 0.705 -1.604 239 HD2 PHE 30 HD2 PHE 30 10.362 -3.046 -2.798 240 HE1 PHE 30 HE1 PHE 30 10.908 1.481 -0.915 241 HE2 PHE 30 HE2 PHE 30 12.575 -2.271 -2.125 242 HZ PHE 30 HZ PHE 30 12.856 -0.052 -1.175 243 H ILE 31 H ILE 31 5.763 -2.107 -4.420 244 HA ILE 31 HA ILE 31 4.262 -4.325 -3.354 245 HB ILE 31 HB ILE 31 3.742 -2.253 -5.509 246 1HG1 ILE 31 2HG1 ILE 31 2.644 -2.401 -2.735 247 2HG1 ILE 31 1HG1 ILE 31 4.216 -1.684 -3.013 248 1HG2 ILE 31 3HG2 ILE 31 2.206 -4.579 -4.684 249 2HG2 ILE 31 2HG2 ILE 31 1.350 -3.071 -4.379 250 3HG2 ILE 31 1HG2 ILE 31 1.907 -3.452 -6.004 251 1HD1 ILE 31 3HD1 ILE 31 1.654 -0.843 -4.387 252 2HD1 ILE 31 2HD1 ILE 31 2.396 -0.015 -3.002 253 3HD1 ILE 31 1HD1 ILE 31 3.248 -0.078 -4.546 254 H GLN 32 H GLN 32 6.057 -3.843 -6.413 255 HA GLN 32 HA GLN 32 4.915 -6.163 -7.766 256 1HB GLN 32 2HB GLN 32 7.385 -4.440 -8.136 257 2HB GLN 32 1HB GLN 32 7.007 -5.784 -9.217 258 1HG GLN 32 2HG GLN 32 4.871 -4.776 -9.809 259 2HG GLN 32 1HG GLN 32 5.101 -3.496 -8.624 260 1HE2 GLN 32 1HE2 GLN 32 6.204 -4.698 -11.789 261 2HE2 GLN 32 2HE2 GLN 32 7.019 -3.276 -12.228 262 H SER 33 H SER 33 7.964 -5.557 -5.958 263 HA SER 33 HA SER 33 8.910 -8.310 -5.982 264 1HB SER 33 2HB SER 33 10.454 -7.365 -4.220 265 2HB SER 33 1HB SER 33 10.457 -6.503 -5.753 266 HG SER 33 HG SER 33 10.093 -4.868 -4.452 267 H LEU 34 H LEU 34 6.772 -6.478 -3.907 268 HA LEU 34 HA LEU 34 6.812 -8.304 -1.623 269 1HB LEU 34 2HB LEU 34 6.517 -5.826 -1.589 270 2HB LEU 34 1HB LEU 34 4.997 -6.008 -2.447 271 HG LEU 34 HG LEU 34 4.237 -7.451 -0.478 272 1HD1 LEU 34 2HD1 LEU 34 6.783 -6.274 0.614 273 2HD1 LEU 34 1HD1 LEU 34 5.466 -6.837 1.646 274 3HD1 LEU 34 3HD1 LEU 34 6.292 -7.968 0.575 275 1HD2 LEU 34 1HD2 LEU 34 3.803 -4.923 -0.955 276 2HD2 LEU 34 3HD2 LEU 34 3.462 -5.551 0.652 277 3HD2 LEU 34 2HD2 LEU 34 4.944 -4.651 0.360 278 H LYS 35 H LYS 35 4.404 -7.529 -4.218 279 HA LYS 35 HA LYS 35 2.465 -9.509 -3.363 280 1HB LYS 35 2HB LYS 35 2.906 -7.710 -5.713 281 2HB LYS 35 1HB LYS 35 1.818 -9.047 -5.956 282 1HG LYS 35 2HG LYS 35 1.024 -8.060 -3.513 283 2HG LYS 35 1HG LYS 35 1.402 -6.615 -4.454 284 1HD LYS 35 2HD LYS 35 -0.267 -7.010 -5.986 285 2HD LYS 35 1HD LYS 35 -0.171 -8.762 -5.801 286 1HE LYS 35 2HE LYS 35 -1.011 -7.385 -3.336 287 2HE LYS 35 1HE LYS 35 -2.139 -7.170 -4.684 288 1HZ LYS 35 3HZ LYS 35 -1.008 -9.781 -3.800 289 2HZ LYS 35 2HZ LYS 35 -2.582 -9.234 -3.465 290 3HZ LYS 35 1HZ LYS 35 -2.115 -9.555 -5.068 291 H ASP 36 H ASP 36 5.146 -9.570 -5.738 292 HA ASP 36 HA ASP 36 4.550 -12.298 -6.638 293 1HB ASP 36 2HB ASP 36 6.926 -10.438 -6.997 294 2HB ASP 36 1HB ASP 36 6.773 -11.994 -7.802 295 H ASP 37 H ASP 37 6.905 -10.826 -4.333 296 HA ASP 37 HA ASP 37 7.680 -13.605 -3.482 297 1HB ASP 37 2HB ASP 37 9.364 -11.878 -4.521 298 2HB ASP 37 1HB ASP 37 9.308 -11.126 -2.927 299 HA PRO 38 HA PRO 38 5.352 -12.125 0.146 300 1HB PRO 38 2HB PRO 38 5.027 -14.609 1.247 301 2HB PRO 38 1HB PRO 38 4.002 -13.983 -0.060 302 1HG PRO 38 2HG PRO 38 6.343 -15.821 -0.227 303 2HG PRO 38 1HG PRO 38 4.771 -15.920 -1.040 304 1HD PRO 38 1HD PRO 38 6.957 -14.999 -2.294 305 2HD PRO 38 2HD PRO 38 5.333 -14.353 -2.619 306 H SER 39 H SER 39 8.057 -14.492 0.263 307 HA SER 39 HA SER 39 8.695 -14.175 3.045 308 1HB SER 39 2HB SER 39 10.368 -14.991 0.652 309 2HB SER 39 1HB SER 39 10.865 -15.211 2.327 310 HG SER 39 HG SER 39 9.291 -16.686 2.609 311 H GLN 40 H GLN 40 9.818 -12.344 0.183 312 HA GLN 40 HA GLN 40 11.859 -10.850 1.655 313 1HB GLN 40 2HB GLN 40 11.618 -11.421 -0.887 314 2HB GLN 40 1HB GLN 40 10.546 -10.020 -0.940 315 1HG GLN 40 2HG GLN 40 12.375 -8.648 0.075 316 2HG GLN 40 1HG GLN 40 13.445 -10.044 -0.053 317 1HE2 GLN 40 1HE2 GLN 40 14.404 -10.457 -2.106 318 2HE2 GLN 40 2HE2 GLN 40 14.049 -9.562 -3.501 319 H SER 41 H SER 41 8.444 -10.603 1.733 320 HA SER 41 HA SER 41 7.858 -7.901 1.450 321 1HB SER 41 2HB SER 41 5.938 -8.397 2.921 322 2HB SER 41 1HB SER 41 6.250 -9.744 1.835 323 HG SER 41 HG SER 41 6.736 -10.948 3.499 324 H ALA 42 H ALA 42 8.898 -9.361 4.645 325 HA ALA 42 HA ALA 42 8.813 -6.869 6.082 326 1HB ALA 42 2HB ALA 42 10.744 -9.181 6.301 327 2HB ALA 42 3HB ALA 42 9.163 -9.092 7.094 328 3HB ALA 42 1HB ALA 42 10.446 -7.967 7.547 329 H ASN 43 H ASN 43 11.530 -8.453 4.350 330 HA ASN 43 HA ASN 43 13.545 -6.465 4.678 331 1HB ASN 43 2HB ASN 43 12.862 -8.636 2.757 332 2HB ASN 43 1HB ASN 43 14.039 -7.431 2.215 333 1HD2 ASN 43 1HD2 ASN 43 15.855 -7.003 3.996 334 2HD2 ASN 43 2HD2 ASN 43 16.439 -8.381 4.798 335 H LEU 44 H LEU 44 10.900 -6.822 2.327 336 HA LEU 44 HA LEU 44 11.601 -4.658 0.593 337 1HB LEU 44 2HB LEU 44 9.098 -6.167 1.256 338 2HB LEU 44 1HB LEU 44 9.063 -4.813 0.124 339 HG LEU 44 HG LEU 44 10.923 -7.177 -0.066 340 1HD1 LEU 44 1HD1 LEU 44 8.293 -7.259 -0.494 341 2HD1 LEU 44 3HD1 LEU 44 8.797 -6.611 -2.055 342 3HD1 LEU 44 2HD1 LEU 44 9.438 -8.159 -1.495 343 1HD2 LEU 44 1HD2 LEU 44 10.908 -4.502 -1.195 344 2HD2 LEU 44 3HD2 LEU 44 12.090 -5.815 -1.391 345 3HD2 LEU 44 2HD2 LEU 44 10.698 -5.740 -2.482 346 H LEU 45 H LEU 45 9.519 -4.856 3.480 347 HA LEU 45 HA LEU 45 8.864 -2.022 3.310 348 1HB LEU 45 2HB LEU 45 7.469 -3.408 4.608 349 2HB LEU 45 1HB LEU 45 8.818 -4.079 5.515 350 HG LEU 45 HG LEU 45 9.191 -1.992 6.649 351 1HD1 LEU 45 3HD1 LEU 45 7.212 -0.888 4.637 352 2HD1 LEU 45 2HD1 LEU 45 7.650 -0.026 6.106 353 3HD1 LEU 45 1HD1 LEU 45 8.881 -0.379 4.899 354 1HD2 LEU 45 1HD2 LEU 45 7.243 -3.478 7.330 355 2HD2 LEU 45 3HD2 LEU 45 7.164 -1.808 7.895 356 3HD2 LEU 45 2HD2 LEU 45 6.190 -2.320 6.517 357 H ALA 46 H ALA 46 11.306 -3.935 5.163 358 HA ALA 46 HA ALA 46 12.646 -1.789 6.488 359 1HB ALA 46 3HB ALA 46 13.490 -4.417 5.214 360 2HB ALA 46 2HB ALA 46 14.689 -3.361 5.981 361 3HB ALA 46 1HB ALA 46 13.351 -4.022 6.937 362 H GLU 47 H GLU 47 13.221 -3.053 3.133 363 HA GLU 47 HA GLU 47 15.319 -1.133 2.622 364 1HB GLU 47 2HB GLU 47 15.130 -1.898 0.282 365 2HB GLU 47 1HB GLU 47 15.248 -3.242 1.405 366 1HG GLU 47 2HG GLU 47 12.739 -3.351 1.283 367 2HG GLU 47 1HG GLU 47 12.871 -2.249 -0.091 368 H ALA 48 H ALA 48 11.750 -1.190 2.108 369 HA ALA 48 HA ALA 48 11.633 1.328 0.706 370 1HB ALA 48 3HB ALA 48 9.943 -0.606 1.164 371 2HB ALA 48 2HB ALA 48 9.622 0.250 2.678 372 3HB ALA 48 1HB ALA 48 9.323 1.044 1.121 373 H LYS 49 H LYS 49 11.708 0.393 4.155 374 HA LYS 49 HA LYS 49 11.282 2.966 5.395 375 1HB LYS 49 2HB LYS 49 12.651 0.366 6.147 376 2HB LYS 49 1HB LYS 49 12.495 1.667 7.298 377 1HG LYS 49 2HG LYS 49 10.253 0.173 5.941 378 2HG LYS 49 1HG LYS 49 10.716 0.042 7.627 379 1HD LYS 49 2HD LYS 49 10.270 2.574 7.732 380 2HD LYS 49 1HD LYS 49 9.431 2.343 6.194 381 1HE LYS 49 2HE LYS 49 7.644 1.395 7.211 382 2HE LYS 49 1HE LYS 49 8.686 0.306 8.149 383 1HZ LYS 49 3HZ LYS 49 8.236 3.191 8.757 384 2HZ LYS 49 2HZ LYS 49 7.489 1.899 9.571 385 3HZ LYS 49 1HZ LYS 49 9.172 2.108 9.671 386 H LYS 50 H LYS 50 14.021 1.057 4.353 387 HA LYS 50 HA LYS 50 16.218 2.724 5.125 388 1HB LYS 50 2HB LYS 50 16.633 0.447 4.663 389 2HB LYS 50 1HB LYS 50 15.586 0.458 3.263 390 1HG LYS 50 2HG LYS 50 17.471 2.107 2.315 391 2HG LYS 50 1HG LYS 50 18.459 1.204 3.466 392 1HD LYS 50 2HD LYS 50 16.625 -0.155 1.456 393 2HD LYS 50 1HD LYS 50 18.327 0.193 1.122 394 1HE LYS 50 2HE LYS 50 18.924 -1.111 3.220 395 2HE LYS 50 1HE LYS 50 17.218 -1.601 3.317 396 1HZ LYS 50 3HZ LYS 50 17.389 -2.421 1.020 397 2HZ LYS 50 2HZ LYS 50 19.042 -2.029 0.998 398 3HZ LYS 50 1HZ LYS 50 18.464 -3.227 2.053 399 H LEU 51 H LEU 51 14.202 2.474 2.204 400 HA LEU 51 HA LEU 51 15.617 4.398 0.572 401 1HB LEU 51 2HB LEU 51 13.171 2.765 0.554 402 2HB LEU 51 1HB LEU 51 12.960 4.313 -0.249 403 HG LEU 51 HG LEU 51 14.759 3.867 -1.763 404 1HD1 LEU 51 1HD1 LEU 51 15.509 1.884 0.279 405 2HD1 LEU 51 3HD1 LEU 51 15.665 1.301 -1.379 406 3HD1 LEU 51 2HD1 LEU 51 16.523 2.759 -0.868 407 1HD2 LEU 51 2HD2 LEU 51 12.517 2.086 -1.428 408 2HD2 LEU 51 1HD2 LEU 51 13.232 2.698 -2.921 409 3HD2 LEU 51 3HD2 LEU 51 13.864 1.227 -2.175 410 H ASN 52 H ASN 52 12.943 4.574 2.884 411 HA ASN 52 HA ASN 52 11.971 7.173 2.359 412 1HB ASN 52 2HB ASN 52 11.041 5.322 3.828 413 2HB ASN 52 1HB ASN 52 12.217 5.807 5.051 414 1HD2 ASN 52 1HD2 ASN 52 11.606 7.488 6.415 415 2HD2 ASN 52 2HD2 ASN 52 10.279 8.513 6.150 416 H ASP 53 H ASP 53 14.647 6.094 4.478 417 HA ASP 53 HA ASP 53 15.319 8.862 5.288 418 1HB ASP 53 2HB ASP 53 15.425 6.849 6.776 419 2HB ASP 53 1HB ASP 53 16.741 6.232 5.777 420 H ALA 54 H ALA 54 16.758 6.271 3.260 421 HA ALA 54 HA ALA 54 19.204 7.618 2.579 422 1HB ALA 54 3HB ALA 54 17.566 5.617 0.981 423 2HB ALA 54 1HB ALA 54 18.671 5.192 2.290 424 3HB ALA 54 2HB ALA 54 19.295 5.920 0.809 425 H GLN 55 H GLN 55 16.007 7.549 0.967 426 HA GLN 55 HA GLN 55 16.879 9.525 -1.073 427 1HB GLN 55 2HB GLN 55 14.233 8.120 -0.592 428 2HB GLN 55 1HB GLN 55 14.656 9.053 -2.024 429 1HG GLN 55 2HG GLN 55 16.422 7.467 -2.599 430 2HG GLN 55 1HG GLN 55 16.151 6.564 -1.107 431 1HE2 GLN 55 1HE2 GLN 55 13.420 6.287 -0.972 432 2HE2 GLN 55 2HE2 GLN 55 12.844 5.448 -2.327 433 H ALA 56 H ALA 56 15.975 9.842 2.104 434 HA ALA 56 HA ALA 56 13.834 11.780 2.040 435 1HB ALA 56 2HB ALA 56 15.674 12.020 4.282 436 2HB ALA 56 1HB ALA 56 13.995 11.483 4.276 437 3HB ALA 56 3HB ALA 56 15.290 10.327 3.955 438 HA PRO 57 HA PRO 57 15.978 15.461 1.072 439 1HB PRO 57 2HB PRO 57 14.553 17.305 2.505 440 2HB PRO 57 1HB PRO 57 13.924 16.513 1.048 441 1HG PRO 57 2HG PRO 57 13.379 15.907 3.905 442 2HG PRO 57 1HG PRO 57 12.273 15.913 2.522 443 1HD PRO 57 1HD PRO 57 13.333 13.643 3.594 444 2HD PRO 57 2HD PRO 57 12.846 13.794 1.890 445 H LYS 58 H LYS 58 17.595 16.881 1.906 446 HA LYS 58 HA LYS 58 18.223 16.644 4.834 447 1HB LYS 58 2HB LYS 58 19.554 15.168 3.211 448 2HB LYS 58 1HB LYS 58 20.251 16.660 2.580 449 1HG LYS 58 2HG LYS 58 20.880 17.214 5.005 450 2HG LYS 58 1HG LYS 58 20.489 15.534 5.377 451 1HD LYS 58 2HD LYS 58 22.393 16.264 3.148 452 2HD LYS 58 1HD LYS 58 22.949 16.063 4.810 453 1HE LYS 58 2HE LYS 58 22.221 13.757 4.864 454 2HE LYS 58 1HE LYS 58 21.379 13.932 3.312 455 1HZ LYS 58 3HZ LYS 58 24.306 14.298 3.735 456 2HZ LYS 58 2HZ LYS 58 23.580 12.941 3.017 457 3HZ LYS 58 1HZ LYS 58 23.490 14.455 2.253 458 H1 VAL 1 3H VAL 1 6.027 -11.552 -12.290 459 H2 VAL 1 2H VAL 1 4.855 -11.149 -11.131 460 H3 VAL 1 1H VAL 1 6.000 -12.360 -10.801 461 HA VAL 1 HA VAL 1 5.069 -13.776 -12.523 462 HB VAL 1 HB VAL 1 4.257 -13.473 -10.035 463 1HG1 VAL 1 1HG1 VAL 1 2.729 -11.539 -10.644 464 2HG1 VAL 1 3HG1 VAL 1 1.700 -12.709 -11.468 465 3HG1 VAL 1 2HG1 VAL 1 1.964 -12.836 -9.731 466 1HG2 VAL 1 3HG2 VAL 1 3.975 -15.474 -11.627 467 2HG2 VAL 1 2HG2 VAL 1 2.845 -15.359 -10.276 468 3HG2 VAL 1 1HG2 VAL 1 2.336 -14.877 -11.894 469 H ASP 2 H ASP 2 2.921 -14.137 -13.793 470 HA ASP 2 HA ASP 2 2.393 -11.719 -15.451 471 1HB ASP 2 2HB ASP 2 3.065 -14.127 -16.237 472 2HB ASP 2 1HB ASP 2 1.371 -14.516 -15.946 473 H ASN 3 H ASN 3 0.192 -11.062 -15.930 474 HA ASN 3 HA ASN 3 -2.029 -10.514 -15.388 475 1HB ASN 3 2HB ASN 3 -1.990 -13.389 -14.380 476 2HB ASN 3 1HB ASN 3 -3.439 -12.450 -14.722 477 1HD2 ASN 3 1HD2 ASN 3 -1.929 -14.931 -16.061 478 2HD2 ASN 3 2HD2 ASN 3 -2.028 -14.548 -17.710 479 H LYS 4 H LYS 4 -0.317 -9.427 -13.583 480 HA LYS 4 HA LYS 4 -1.561 -9.954 -10.897 481 1HB LYS 4 2HB LYS 4 0.596 -9.308 -9.940 482 2HB LYS 4 1HB LYS 4 0.844 -10.577 -11.134 483 1HG LYS 4 2HG LYS 4 1.450 -8.820 -12.816 484 2HG LYS 4 1HG LYS 4 1.309 -7.603 -11.547 485 1HD LYS 4 2HD LYS 4 3.034 -8.849 -10.234 486 2HD LYS 4 1HD LYS 4 3.232 -9.942 -11.593 487 1HE LYS 4 2HE LYS 4 4.593 -8.473 -12.656 488 2HE LYS 4 1HE LYS 4 3.399 -7.174 -12.484 489 1HZ LYS 4 2HZ LYS 4 5.122 -8.112 -10.246 490 2HZ LYS 4 1HZ LYS 4 5.534 -6.807 -11.250 491 3HZ LYS 4 3HZ LYS 4 4.142 -6.724 -10.290 492 H PHE 5 H PHE 5 -2.217 -8.160 -9.662 493 HA PHE 5 HA PHE 5 -2.530 -5.584 -11.125 494 1HB PHE 5 2HB PHE 5 -3.795 -6.886 -8.693 495 2HB PHE 5 1HB PHE 5 -4.169 -5.252 -9.200 496 HD1 PHE 5 HD1 PHE 5 -5.013 -4.905 -11.628 497 HD2 PHE 5 HD2 PHE 5 -4.900 -8.724 -9.662 498 HE1 PHE 5 HE1 PHE 5 -6.661 -5.790 -13.252 499 HE2 PHE 5 HE2 PHE 5 -6.546 -9.609 -11.290 500 HZ PHE 5 HZ PHE 5 -7.427 -8.144 -13.083 501 H ASN 6 H ASN 6 0.087 -6.412 -9.795 502 HA ASN 6 HA ASN 6 0.436 -5.083 -7.290 503 1HB ASN 6 2HB ASN 6 2.467 -5.600 -9.487 504 2HB ASN 6 1HB ASN 6 2.837 -5.300 -7.794 505 1HD2 ASN 6 1HD2 ASN 6 3.945 -7.600 -8.295 506 2HD2 ASN 6 2HD2 ASN 6 2.989 -8.952 -7.949 507 H LYS 7 H LYS 7 0.815 -3.911 -10.606 508 HA LYS 7 HA LYS 7 1.846 -1.299 -9.992 509 1HB LYS 7 2HB LYS 7 1.534 -2.633 -12.261 510 2HB LYS 7 1HB LYS 7 -0.024 -1.797 -12.286 511 1HG LYS 7 2HG LYS 7 2.046 0.079 -11.569 512 2HG LYS 7 1HG LYS 7 2.520 -0.762 -13.042 513 1HD LYS 7 2HD LYS 7 0.563 -0.075 -14.196 514 2HD LYS 7 1HD LYS 7 -0.248 0.402 -12.705 515 1HE LYS 7 2HE LYS 7 2.326 1.759 -13.539 516 2HE LYS 7 1HE LYS 7 0.767 2.296 -14.191 517 1HZ LYS 7 3HZ LYS 7 -0.054 2.377 -11.851 518 2HZ LYS 7 2HZ LYS 7 1.536 2.093 -11.321 519 3HZ LYS 7 1HZ LYS 7 1.165 3.506 -12.185 520 H GLU 8 H GLU 8 -1.398 -2.603 -10.099 521 HA GLU 8 HA GLU 8 -2.815 -0.120 -9.899 522 1HB GLU 8 2HB GLU 8 -3.337 -2.978 -9.861 523 2HB GLU 8 1HB GLU 8 -4.332 -2.148 -8.666 524 1HG GLU 8 2HG GLU 8 -4.609 -0.441 -10.736 525 2HG GLU 8 1HG GLU 8 -4.357 -1.942 -11.628 526 H LEU 9 H LEU 9 -1.307 -2.169 -7.438 527 HA LEU 9 HA LEU 9 -2.623 -0.867 -5.204 528 1HB LEU 9 2HB LEU 9 0.110 -2.122 -5.073 529 2HB LEU 9 1HB LEU 9 -1.068 -1.943 -3.823 530 HG LEU 9 HG LEU 9 -1.700 -3.635 -6.216 531 1HD1 LEU 9 1HD1 LEU 9 0.144 -4.161 -3.956 532 2HD1 LEU 9 3HD1 LEU 9 -1.088 -5.405 -4.194 533 3HD1 LEU 9 2HD1 LEU 9 0.021 -4.999 -5.507 534 1HD2 LEU 9 3HD2 LEU 9 -2.699 -3.531 -3.342 535 2HD2 LEU 9 2HD2 LEU 9 -3.557 -2.872 -4.738 536 3HD2 LEU 9 1HD2 LEU 9 -3.304 -4.618 -4.590 537 H SER 10 H SER 10 0.159 -0.038 -7.200 538 HA SER 10 HA SER 10 1.397 1.826 -5.385 539 1HB SER 10 2HB SER 10 2.678 2.402 -7.255 540 2HB SER 10 1HB SER 10 2.164 0.778 -7.658 541 HG SER 10 HG SER 10 0.872 1.551 -9.172 542 H VAL 11 H VAL 11 -1.068 2.192 -7.953 543 HA VAL 11 HA VAL 11 -1.538 5.041 -7.355 544 HB VAL 11 HB VAL 11 -3.038 3.092 -9.143 545 1HG1 VAL 11 1HG1 VAL 11 -2.783 6.108 -9.089 546 2HG1 VAL 11 3HG1 VAL 11 -3.456 5.216 -10.453 547 3HG1 VAL 11 2HG1 VAL 11 -4.250 5.152 -8.881 548 1HG2 VAL 11 3HG2 VAL 11 -0.585 4.793 -9.734 549 2HG2 VAL 11 2HG2 VAL 11 -0.636 3.027 -9.682 550 3HG2 VAL 11 1HG2 VAL 11 -1.509 3.905 -10.946 551 H ALA 12 H ALA 12 -3.465 2.016 -7.128 552 HA ALA 12 HA ALA 12 -5.746 3.153 -5.827 553 1HB ALA 12 3HB ALA 12 -5.519 0.927 -7.042 554 2HB ALA 12 1HB ALA 12 -6.408 0.876 -5.519 555 3HB ALA 12 2HB ALA 12 -4.733 0.316 -5.579 556 H GLY 13 H GLY 13 -3.062 1.305 -4.508 557 1HA GLY 13 1HA GLY 13 -2.172 1.138 -2.388 558 2HA GLY 13 2HA GLY 13 -3.796 1.454 -1.787 559 H ARG 14 H ARG 14 -1.330 3.409 -3.519 560 HA ARG 14 HA ARG 14 -0.722 5.033 -1.274 561 1HB ARG 14 2HB ARG 14 0.524 4.758 -3.483 562 2HB ARG 14 1HB ARG 14 -0.582 5.963 -4.148 563 1HG ARG 14 2HG ARG 14 1.444 7.070 -3.352 564 2HG ARG 14 1HG ARG 14 0.085 7.526 -2.327 565 1HD ARG 14 2HD ARG 14 1.010 6.578 -0.496 566 2HD ARG 14 1HD ARG 14 1.460 5.112 -1.383 567 HE ARG 14 HE ARG 14 3.582 6.072 -1.799 568 1HH1 ARG 14 1HH1 ARG 14 2.965 8.634 -3.037 569 2HH1 ARG 14 2HH1 ARG 14 3.431 9.794 -1.841 570 1HH2 ARG 14 1HH2 ARG 14 3.506 7.476 0.760 571 2HH2 ARG 14 2HH2 ARG 14 3.742 9.136 0.323 572 H GLU 15 H GLU 15 -3.277 5.564 -3.772 573 HA GLU 15 HA GLU 15 -4.009 8.212 -2.793 574 1HB GLU 15 2HB GLU 15 -5.389 6.095 -4.465 575 2HB GLU 15 1HB GLU 15 -6.163 7.634 -4.077 576 1HG GLU 15 2HG GLU 15 -4.135 8.805 -5.025 577 2HG GLU 15 1HG GLU 15 -3.552 7.234 -5.568 578 H ILE 16 H ILE 16 -5.127 4.900 -2.093 579 HA ILE 16 HA ILE 16 -7.184 5.557 -0.173 580 HB ILE 16 HB ILE 16 -5.487 3.104 -0.779 581 1HG1 ILE 16 2HG1 ILE 16 -8.454 3.464 -1.198 582 2HG1 ILE 16 1HG1 ILE 16 -7.315 4.130 -2.359 583 1HG2 ILE 16 1HG2 ILE 16 -7.712 3.469 1.235 584 2HG2 ILE 16 3HG2 ILE 16 -7.368 1.892 0.511 585 3HG2 ILE 16 2HG2 ILE 16 -6.134 2.717 1.472 586 1HD1 ILE 16 1HD1 ILE 16 -6.391 1.545 -1.994 587 2HD1 ILE 16 3HD1 ILE 16 -8.144 1.360 -1.936 588 3HD1 ILE 16 2HD1 ILE 16 -7.385 2.111 -3.343 589 H VAL 17 H VAL 17 -3.694 5.300 -0.046 590 HA VAL 17 HA VAL 17 -3.299 5.104 2.815 591 HB VAL 17 HB VAL 17 -1.684 5.723 0.357 592 1HG1 VAL 17 2HG1 VAL 17 -0.948 6.618 3.046 593 2HG1 VAL 17 1HG1 VAL 17 0.260 5.595 2.273 594 3HG1 VAL 17 3HG1 VAL 17 -0.279 7.071 1.473 595 1HG2 VAL 17 1HG2 VAL 17 -2.126 3.487 2.142 596 2HG2 VAL 17 3HG2 VAL 17 -1.413 3.530 0.516 597 3HG2 VAL 17 2HG2 VAL 17 -0.404 3.837 1.924 598 H THR 18 H THR 18 -3.567 7.861 0.516 599 HA THR 18 HA THR 18 -3.670 9.674 2.889 600 HB THR 18 HB THR 18 -1.376 9.469 1.932 601 HG1 THR 18 HG1 THR 18 -2.551 12.021 1.514 602 1HG2 THR 18 3HG2 THR 18 -2.801 9.838 -0.559 603 2HG2 THR 18 2HG2 THR 18 -1.569 11.084 -0.378 604 3HG2 THR 18 1HG2 THR 18 -1.118 9.381 -0.298 605 H LEU 19 H LEU 19 -6.014 8.873 1.180 606 HA LEU 19 HA LEU 19 -6.565 11.009 -0.713 607 1HB LEU 19 2HB LEU 19 -8.960 10.263 -0.359 608 2HB LEU 19 1HB LEU 19 -7.838 9.007 -0.845 609 HG LEU 19 HG LEU 19 -7.977 9.259 2.052 610 1HD1 LEU 19 1HD1 LEU 19 -10.471 9.087 0.420 611 2HD1 LEU 19 3HD1 LEU 19 -10.353 8.093 1.870 612 3HD1 LEU 19 2HD1 LEU 19 -10.200 9.846 1.990 613 1HD2 LEU 19 1HD2 LEU 19 -8.184 7.151 -0.081 614 2HD2 LEU 19 3HD2 LEU 19 -7.075 7.247 1.282 615 3HD2 LEU 19 2HD2 LEU 19 -8.751 6.760 1.543 616 HA PRO 20 HA PRO 20 -7.344 14.609 1.518 617 1HB PRO 20 2HB PRO 20 -9.856 15.467 0.792 618 2HB PRO 20 1HB PRO 20 -8.404 15.594 -0.223 619 1HG PRO 20 2HG PRO 20 -10.527 13.486 -0.230 620 2HG PRO 20 1HG PRO 20 -9.809 14.358 -1.598 621 1HD PRO 20 1HD PRO 20 -8.998 11.904 -1.025 622 2HD PRO 20 2HD PRO 20 -7.811 13.145 -1.486 623 H ASN 21 H ASN 21 -10.098 12.337 2.159 624 HA ASN 21 HA ASN 21 -10.324 13.731 4.833 625 1HB ASN 21 2HB ASN 21 -12.449 12.598 3.032 626 2HB ASN 21 1HB ASN 21 -12.763 13.171 4.655 627 1HD2 ASN 21 1HD2 ASN 21 -13.819 14.254 2.088 628 2HD2 ASN 21 2HD2 ASN 21 -13.333 15.884 2.040 629 H LEU 22 H LEU 22 -8.952 10.981 4.052 630 HA LEU 22 HA LEU 22 -10.665 9.172 5.702 631 1HB LEU 22 2HB LEU 22 -9.354 8.687 3.442 632 2HB LEU 22 1HB LEU 22 -8.061 8.327 4.568 633 HG LEU 22 HG LEU 22 -10.049 6.972 5.768 634 1HD1 LEU 22 2HD1 LEU 22 -11.531 7.710 3.745 635 2HD1 LEU 22 1HD1 LEU 22 -10.651 6.463 2.861 636 3HD1 LEU 22 3HD1 LEU 22 -11.606 6.032 4.281 637 1HD2 LEU 22 2HD2 LEU 22 -8.012 6.289 3.699 638 2HD2 LEU 22 1HD2 LEU 22 -8.163 5.729 5.370 639 3HD2 LEU 22 3HD2 LEU 22 -9.193 5.040 4.115 640 H ASN 23 H ASN 23 -9.748 7.973 7.423 641 HA ASN 23 HA ASN 23 -7.554 9.413 8.886 642 1HB ASN 23 2HB ASN 23 -8.544 8.484 10.921 643 2HB ASN 23 1HB ASN 23 -9.776 9.316 9.982 644 1HD2 ASN 23 1HD2 ASN 23 -10.666 7.466 11.856 645 2HD2 ASN 23 2HD2 ASN 23 -11.237 6.070 11.082 646 H ASP 24 H ASP 24 -5.968 8.074 10.057 647 HA ASP 24 HA ASP 24 -4.673 6.206 8.454 648 1HB ASP 24 2HB ASP 24 -3.213 5.812 10.366 649 2HB ASP 24 1HB ASP 24 -3.615 7.515 10.210 650 HA PRO 25 HA PRO 25 -6.334 2.455 10.941 651 1HB PRO 25 2HB PRO 25 -8.903 2.580 11.884 652 2HB PRO 25 1HB PRO 25 -7.484 3.004 12.861 653 1HG PRO 25 2HG PRO 25 -9.403 4.777 11.442 654 2HG PRO 25 1HG PRO 25 -8.639 4.980 13.025 655 1HD PRO 25 1HD PRO 25 -7.812 6.275 10.789 656 2HD PRO 25 2HD PRO 25 -6.743 5.872 12.138 657 H GLN 26 H GLN 26 -8.869 4.368 9.170 658 HA GLN 26 HA GLN 26 -10.088 2.021 7.992 659 1HB GLN 26 2HB GLN 26 -10.165 4.975 7.305 660 2HB GLN 26 1HB GLN 26 -11.142 3.762 6.469 661 1HG GLN 26 2HG GLN 26 -11.964 3.012 8.769 662 2HG GLN 26 1HG GLN 26 -11.207 4.459 9.420 663 1HE2 GLN 26 1HE2 GLN 26 -12.091 6.594 8.619 664 2HE2 GLN 26 2HE2 GLN 26 -13.683 6.657 8.044 665 H LYS 27 H LYS 27 -7.626 4.342 6.712 666 HA LYS 27 HA LYS 27 -7.307 3.075 4.155 667 1HB LYS 27 2HB LYS 27 -4.913 3.998 4.342 668 2HB LYS 27 1HB LYS 27 -6.246 5.156 4.333 669 1HG LYS 27 2HG LYS 27 -6.046 5.076 6.915 670 2HG LYS 27 1HG LYS 27 -4.502 4.289 6.633 671 1HD LYS 27 2HD LYS 27 -4.038 6.634 6.811 672 2HD LYS 27 1HD LYS 27 -3.921 6.222 5.106 673 1HE LYS 27 2HE LYS 27 -5.746 7.481 4.529 674 2HE LYS 27 1HE LYS 27 -6.620 7.073 6.012 675 1HZ LYS 27 3HZ LYS 27 -5.080 8.498 7.253 676 2HZ LYS 27 2HZ LYS 27 -4.305 8.930 5.804 677 3HZ LYS 27 1HZ LYS 27 -5.920 9.377 6.072 678 H LYS 28 H LYS 28 -5.895 2.386 7.319 679 HA LYS 28 HA LYS 28 -3.903 0.493 6.578 680 1HB LYS 28 2HB LYS 28 -5.392 1.364 8.951 681 2HB LYS 28 1HB LYS 28 -5.144 -0.379 8.996 682 1HG LYS 28 2HG LYS 28 -2.835 1.307 8.213 683 2HG LYS 28 1HG LYS 28 -3.306 1.338 9.902 684 1HD LYS 28 2HD LYS 28 -2.766 -0.868 10.239 685 2HD LYS 28 1HD LYS 28 -3.150 -1.323 8.579 686 1HE LYS 28 2HE LYS 28 -1.067 -0.632 7.755 687 2HE LYS 28 1HE LYS 28 -0.779 0.457 9.123 688 1HZ LYS 28 3HZ LYS 28 -1.046 -2.483 9.466 689 2HZ LYS 28 2HZ LYS 28 0.452 -1.733 9.188 690 3HZ LYS 28 1HZ LYS 28 -0.444 -1.350 10.578 691 H ALA 29 H ALA 29 -7.279 -0.222 7.712 692 HA ALA 29 HA ALA 29 -7.299 -2.992 6.928 693 1HB ALA 29 3HB ALA 29 -9.764 -2.705 7.162 694 2HB ALA 29 1HB ALA 29 -9.545 -0.956 7.189 695 3HB ALA 29 2HB ALA 29 -8.896 -1.947 8.496 696 H PHE 30 H PHE 30 -7.995 -0.003 5.168 697 HA PHE 30 HA PHE 30 -9.248 -1.042 2.810 698 1HB PHE 30 2HB PHE 30 -8.206 1.413 3.873 699 2HB PHE 30 1HB PHE 30 -7.542 1.207 2.267 700 HD1 PHE 30 HD1 PHE 30 -10.297 2.367 4.121 701 HD2 PHE 30 HD2 PHE 30 -9.244 0.454 0.429 702 HE1 PHE 30 HE1 PHE 30 -12.436 3.106 3.132 703 HE2 PHE 30 HE2 PHE 30 -11.396 1.184 -0.553 704 HZ PHE 30 HZ PHE 30 -12.984 2.515 0.803 705 H ILE 31 H ILE 31 -5.844 -0.119 3.359 706 HA ILE 31 HA ILE 31 -4.838 -1.087 0.855 707 HB ILE 31 HB ILE 31 -3.738 -0.412 3.579 708 1HG1 ILE 31 2HG1 ILE 31 -4.013 0.869 0.920 709 2HG1 ILE 31 1HG1 ILE 31 -3.980 1.602 2.530 710 1HG2 ILE 31 3HG2 ILE 31 -2.433 -2.359 2.298 711 2HG2 ILE 31 2HG2 ILE 31 -1.806 -0.997 1.356 712 3HG2 ILE 31 1HG2 ILE 31 -1.568 -1.057 3.103 713 1HD1 ILE 31 3HD1 ILE 31 -1.474 0.435 1.408 714 2HD1 ILE 31 2HD1 ILE 31 -2.034 1.983 0.834 715 3HD1 ILE 31 1HD1 ILE 31 -1.696 1.756 2.561 716 H PHE 32 H PHE 32 -5.132 -2.535 4.106 717 HA PHE 32 HA PHE 32 -3.784 -4.976 3.510 718 1HB PHE 32 2HB PHE 32 -5.684 -3.962 5.613 719 2HB PHE 32 1HB PHE 32 -5.299 -5.685 5.577 720 HD1 PHE 32 HD1 PHE 32 -3.316 -2.381 5.159 721 HD2 PHE 32 HD2 PHE 32 -3.482 -6.371 6.990 722 HE1 PHE 32 HE1 PHE 32 -1.188 -2.015 6.266 723 HE2 PHE 32 HE2 PHE 32 -1.320 -5.912 8.025 724 HZ PHE 32 HZ PHE 32 -0.180 -3.802 7.637 725 H SER 33 H SER 33 -7.185 -3.926 2.899 726 HA SER 33 HA SER 33 -7.953 -6.641 1.979 727 1HB SER 33 2HB SER 33 -10.077 -5.559 1.431 728 2HB SER 33 1HB SER 33 -9.563 -5.022 3.019 729 HG SER 33 HG SER 33 -9.407 -3.072 2.281 730 H LEU 34 H LEU 34 -6.752 -3.592 0.608 731 HA LEU 34 HA LEU 34 -7.090 -4.133 -2.214 732 1HB LEU 34 2HB LEU 34 -6.666 -1.910 -1.391 733 2HB LEU 34 1HB LEU 34 -5.236 -2.412 -0.525 734 HG LEU 34 HG LEU 34 -4.283 -2.958 -2.837 735 1HD1 LEU 34 2HD1 LEU 34 -6.663 -1.248 -3.617 736 2HD1 LEU 34 1HD1 LEU 34 -5.287 -1.570 -4.674 737 3HD1 LEU 34 3HD1 LEU 34 -6.324 -2.898 -4.152 738 1HD2 LEU 34 2HD2 LEU 34 -3.805 -0.904 -1.340 739 2HD2 LEU 34 1HD2 LEU 34 -3.430 -0.746 -3.059 740 3HD2 LEU 34 3HD2 LEU 34 -4.909 -0.035 -2.416 741 H TRP 35 H TRP 35 -4.480 -4.820 0.112 742 HA TRP 35 HA TRP 35 -2.574 -5.953 -1.732 743 1HB TRP 35 2HB TRP 35 -2.141 -5.109 0.580 744 2HB TRP 35 1HB TRP 35 -2.996 -6.512 1.217 745 HD1 TRP 35 HD1 TRP 35 -1.585 -8.626 1.549 746 HE1 TRP 35 HE1 TRP 35 0.683 -9.447 0.710 747 HE3 TRP 35 HE3 TRP 35 -0.429 -4.850 -1.652 748 HZ2 TRP 35 HZ2 TRP 35 2.759 -8.588 -1.067 749 HZ3 TRP 35 HZ3 TRP 35 1.697 -4.882 -2.903 750 HH2 TRP 35 HH2 TRP 35 3.281 -6.727 -2.609 751 H ASP 36 H ASP 36 -5.019 -7.439 0.447 752 HA ASP 36 HA ASP 36 -4.445 -10.170 -0.256 753 1HB ASP 36 2HB ASP 36 -5.694 -9.036 1.777 754 2HB ASP 36 1HB ASP 36 -7.114 -9.196 0.745 755 H ASP 37 H ASP 37 -6.830 -7.774 -1.441 756 HA ASP 37 HA ASP 37 -7.349 -9.587 -3.732 757 1HB ASP 37 2HB ASP 37 -9.354 -8.081 -2.024 758 2HB ASP 37 1HB ASP 37 -9.770 -8.925 -3.512 759 HA PRO 38 HA PRO 38 -6.372 -5.273 -5.206 760 1HB PRO 38 2HB PRO 38 -4.717 -6.023 -7.226 761 2HB PRO 38 1HB PRO 38 -4.166 -5.722 -5.571 762 1HG PRO 38 2HG PRO 38 -4.768 -8.323 -6.910 763 2HG PRO 38 1HG PRO 38 -3.418 -7.899 -5.848 764 1HD PRO 38 1HD PRO 38 -5.558 -9.282 -4.960 765 2HD PRO 38 2HD PRO 38 -4.672 -8.132 -3.928 766 H SER 39 H SER 39 -7.999 -8.044 -6.379 767 HA SER 39 HA SER 39 -8.543 -7.370 -9.127 768 1HB SER 39 2HB SER 39 -9.182 -9.399 -7.408 769 2HB SER 39 1HB SER 39 -10.705 -8.524 -7.426 770 HG SER 39 HG SER 39 -11.041 -9.354 -9.317 771 H GLN 40 H GLN 40 -9.910 -6.385 -6.008 772 HA GLN 40 HA GLN 40 -11.865 -4.496 -7.228 773 1HB GLN 40 2HB GLN 40 -11.266 -4.789 -4.290 774 2HB GLN 40 1HB GLN 40 -12.796 -4.387 -5.062 775 1HG GLN 40 2HG GLN 40 -12.495 -6.865 -6.043 776 2HG GLN 40 1HG GLN 40 -11.523 -7.032 -4.576 777 1HE2 GLN 40 1HE2 GLN 40 -12.915 -5.538 -2.694 778 2HE2 GLN 40 2HE2 GLN 40 -14.487 -6.147 -2.499 779 H SER 41 H SER 41 -8.668 -4.220 -7.066 780 HA SER 41 HA SER 41 -7.893 -2.185 -5.294 781 1HB SER 41 2HB SER 41 -6.395 -3.504 -6.596 782 2HB SER 41 1HB SER 41 -7.042 -2.856 -8.095 783 HG SER 41 HG SER 41 -5.941 -1.055 -7.795 784 H ALA 42 H ALA 42 -9.221 -1.794 -8.628 785 HA ALA 42 HA ALA 42 -9.102 1.093 -8.690 786 1HB ALA 42 2HB ALA 42 -10.935 -0.906 -10.076 787 2HB ALA 42 1HB ALA 42 -10.754 0.782 -10.549 788 3HB ALA 42 3HB ALA 42 -9.389 -0.324 -10.689 789 H ASN 43 H ASN 43 -11.657 -1.230 -7.762 790 HA ASN 43 HA ASN 43 -13.657 0.667 -6.999 791 1HB ASN 43 2HB ASN 43 -13.944 -1.778 -7.540 792 2HB ASN 43 1HB ASN 43 -13.181 -2.158 -5.997 793 1HD2 ASN 43 1HD2 ASN 43 -14.494 -2.077 -4.126 794 2HD2 ASN 43 2HD2 ASN 43 -16.108 -1.552 -4.126 795 H LEU 44 H LEU 44 -10.870 -0.766 -5.283 796 HA LEU 44 HA LEU 44 -11.624 -0.044 -2.595 797 1HB LEU 44 2HB LEU 44 -9.266 -0.990 -4.113 798 2HB LEU 44 1HB LEU 44 -8.888 -0.124 -2.628 799 HG LEU 44 HG LEU 44 -11.082 -2.093 -2.415 800 1HD1 LEU 44 1HD1 LEU 44 -8.509 -2.828 -3.567 801 2HD1 LEU 44 3HD1 LEU 44 -8.777 -3.640 -2.020 802 3HD1 LEU 44 2HD1 LEU 44 -9.952 -3.827 -3.326 803 1HD2 LEU 44 3HD2 LEU 44 -8.723 -1.096 -0.808 804 2HD2 LEU 44 2HD2 LEU 44 -10.452 -1.015 -0.429 805 3HD2 LEU 44 1HD2 LEU 44 -9.591 -2.559 -0.321 806 H LEU 45 H LEU 45 -9.478 1.494 -4.916 807 HA LEU 45 HA LEU 45 -8.794 3.849 -3.482 808 1HB LEU 45 2HB LEU 45 -8.143 2.749 -5.871 809 2HB LEU 45 1HB LEU 45 -9.264 3.990 -6.430 810 HG LEU 45 HG LEU 45 -6.750 4.389 -4.794 811 1HD1 LEU 45 3HD1 LEU 45 -6.951 4.141 -7.450 812 2HD1 LEU 45 2HD1 LEU 45 -7.365 5.849 -7.316 813 3HD1 LEU 45 1HD1 LEU 45 -5.822 5.262 -6.697 814 1HD2 LEU 45 1HD2 LEU 45 -9.082 6.207 -5.325 815 2HD2 LEU 45 3HD2 LEU 45 -8.154 5.981 -3.841 816 3HD2 LEU 45 2HD2 LEU 45 -7.465 6.886 -5.191 817 H ALA 46 H ALA 46 -11.529 3.142 -5.661 818 HA ALA 46 HA ALA 46 -12.825 5.718 -5.561 819 1HB ALA 46 2HB ALA 46 -14.810 4.230 -6.215 820 2HB ALA 46 1HB ALA 46 -13.386 4.092 -7.247 821 3HB ALA 46 3HB ALA 46 -13.712 2.861 -6.025 822 H GLU 47 H GLU 47 -13.234 2.701 -3.672 823 HA GLU 47 HA GLU 47 -15.301 3.515 -1.913 824 1HB GLU 47 2HB GLU 47 -13.820 1.248 -2.379 825 2HB GLU 47 1HB GLU 47 -13.156 1.749 -0.835 826 1HG GLU 47 2HG GLU 47 -16.062 1.166 -1.494 827 2HG GLU 47 1HG GLU 47 -15.020 0.272 -0.397 828 H ALA 48 H ALA 48 -11.790 3.929 -1.769 829 HA ALA 48 HA ALA 48 -11.539 4.949 0.900 830 1HB ALA 48 2HB ALA 48 -9.405 4.662 0.165 831 2HB ALA 48 3HB ALA 48 -9.568 6.159 -0.752 832 3HB ALA 48 1HB ALA 48 -9.941 4.602 -1.519 833 H LYS 49 H LYS 49 -11.811 6.670 -2.250 834 HA LYS 49 HA LYS 49 -11.995 9.331 -1.162 835 1HB LYS 49 2HB LYS 49 -12.979 8.076 -3.746 836 2HB LYS 49 1HB LYS 49 -12.950 9.813 -3.452 837 1HG LYS 49 2HG LYS 49 -10.489 9.664 -3.028 838 2HG LYS 49 1HG LYS 49 -10.550 7.953 -3.452 839 1HD LYS 49 2HD LYS 49 -11.489 8.602 -5.690 840 2HD LYS 49 1HD LYS 49 -11.222 10.292 -5.258 841 1HE LYS 49 2HE LYS 49 -8.757 9.453 -4.735 842 2HE LYS 49 1HE LYS 49 -9.199 8.152 -5.856 843 1HZ LYS 49 1HZ LYS 49 -9.929 9.835 -7.453 844 2HZ LYS 49 3HZ LYS 49 -9.445 11.070 -6.392 845 3HZ LYS 49 2HZ LYS 49 -8.285 10.028 -7.065 846 H LYS 50 H LYS 50 -14.509 6.962 -2.123 847 HA LYS 50 HA LYS 50 -16.842 8.531 -1.552 848 1HB LYS 50 2HB LYS 50 -16.217 5.562 -1.514 849 2HB LYS 50 1HB LYS 50 -17.847 6.179 -1.254 850 1HG LYS 50 2HG LYS 50 -18.005 7.050 -3.436 851 2HG LYS 50 1HG LYS 50 -16.256 7.046 -3.665 852 1HD LYS 50 2HD LYS 50 -17.210 5.215 -4.951 853 2HD LYS 50 1HD LYS 50 -16.306 4.539 -3.601 854 1HE LYS 50 2HE LYS 50 -19.055 5.038 -2.798 855 2HE LYS 50 1HE LYS 50 -19.006 4.014 -4.244 856 1HZ LYS 50 2HZ LYS 50 -17.308 2.640 -3.142 857 2HZ LYS 50 1HZ LYS 50 -17.458 3.583 -1.733 858 3HZ LYS 50 3HZ LYS 50 -18.766 2.651 -2.273 859 H LEU 51 H LEU 51 -14.899 6.353 0.525 860 HA LEU 51 HA LEU 51 -16.523 6.598 2.900 861 1HB LEU 51 2HB LEU 51 -14.829 4.811 2.341 862 2HB LEU 51 1HB LEU 51 -13.547 5.988 2.623 863 HG LEU 51 HG LEU 51 -15.669 5.352 4.688 864 1HD1 LEU 51 1HD1 LEU 51 -14.139 3.386 3.868 865 2HD1 LEU 51 3HD1 LEU 51 -12.906 4.207 4.824 866 3HD1 LEU 51 2HD1 LEU 51 -14.390 3.644 5.592 867 1HD2 LEU 51 1HD2 LEU 51 -13.314 7.097 4.536 868 2HD2 LEU 51 3HD2 LEU 51 -14.699 7.171 5.621 869 3HD2 LEU 51 2HD2 LEU 51 -13.349 6.092 5.979 870 H ASN 52 H ASN 52 -13.613 8.367 1.740 871 HA ASN 52 HA ASN 52 -13.134 10.026 3.999 872 1HB ASN 52 2HB ASN 52 -11.580 10.882 2.580 873 2HB ASN 52 1HB ASN 52 -12.108 9.632 1.489 874 1HD2 ASN 52 1HD2 ASN 52 -11.376 10.991 -0.333 875 2HD2 ASN 52 2HD2 ASN 52 -12.334 12.295 -0.853 876 H ASP 53 H ASP 53 -15.518 10.299 1.385 877 HA ASP 53 HA ASP 53 -16.425 12.938 1.871 878 1HB ASP 53 2HB ASP 53 -16.860 11.310 -0.078 879 2HB ASP 53 1HB ASP 53 -18.119 10.607 0.936 880 H ALA 54 H ALA 54 -17.173 9.841 3.479 881 HA ALA 54 HA ALA 54 -19.598 10.672 4.834 882 1HB ALA 54 1HB ALA 54 -18.433 8.353 4.337 883 2HB ALA 54 3HB ALA 54 -17.662 8.635 5.901 884 3HB ALA 54 2HB ALA 54 -19.423 8.546 5.788 885 H GLN 55 H GLN 55 -16.142 10.780 5.704 886 HA GLN 55 HA GLN 55 -16.617 11.833 8.407 887 1HB GLN 55 2HB GLN 55 -14.265 11.235 6.611 888 2HB GLN 55 1HB GLN 55 -14.024 12.044 8.146 889 1HG GLN 55 2HG GLN 55 -14.968 10.201 9.372 890 2HG GLN 55 1HG GLN 55 -15.514 9.428 7.883 891 1HE2 GLN 55 1HE2 GLN 55 -13.388 9.451 6.218 892 2HE2 GLN 55 2HE2 GLN 55 -12.044 8.671 6.912 893 H ALA 56 H ALA 56 -15.718 13.108 5.203 894 HA ALA 56 HA ALA 56 -16.290 15.883 6.102 895 1HB ALA 56 3HB ALA 56 -14.034 15.947 6.582 896 2HB ALA 56 1HB ALA 56 -13.933 16.270 4.850 897 3HB ALA 56 2HB ALA 56 -13.671 14.634 5.458 898 HA PRO 57 HA PRO 57 -17.687 16.108 1.868 899 1HB PRO 57 2HB PRO 57 -17.538 18.804 1.420 900 2HB PRO 57 1HB PRO 57 -18.796 18.063 2.429 901 1HG PRO 57 2HG PRO 57 -16.298 19.460 3.234 902 2HG PRO 57 1HG PRO 57 -17.910 19.518 3.967 903 1HD PRO 57 1HD PRO 57 -15.844 18.045 4.975 904 2HD PRO 57 2HD PRO 57 -17.556 17.619 5.202 905 H LYS 58 H LYS 58 -16.740 16.132 -0.214 906 HA LYS 58 HA LYS 58 -13.824 16.224 -0.380 907 1HB LYS 58 2HB LYS 58 -16.057 15.869 -2.403 908 2HB LYS 58 1HB LYS 58 -14.350 15.772 -2.834 909 1HG LYS 58 2HG LYS 58 -14.054 13.955 -1.159 910 2HG LYS 58 1HG LYS 58 -15.783 14.017 -0.814 911 1HD LYS 58 2HD LYS 58 -16.197 13.580 -3.273 912 2HD LYS 58 1HD LYS 58 -14.468 13.293 -3.446 913 1HE LYS 58 2HE LYS 58 -14.810 11.148 -2.798 914 2HE LYS 58 1HE LYS 58 -15.320 11.749 -1.210 915 1HZ LYS 58 2HZ LYS 58 -17.543 12.175 -2.194 916 2HZ LYS 58 1HZ LYS 58 -17.032 11.403 -3.620 917 3HZ LYS 58 3HZ LYS 58 -17.129 10.529 -2.170 No H/Q in entry = 917 Start of MODEL 23 1 H1 VAL 1 2H VAL 1 -0.575 -16.933 14.594 2 H2 VAL 1 1H VAL 1 0.170 -15.491 14.088 3 H3 VAL 1 3H VAL 1 -1.512 -15.547 14.312 4 HA VAL 1 HA VAL 1 -1.834 -16.948 12.427 5 HB VAL 1 HB VAL 1 0.185 -14.714 11.947 6 1HG1 VAL 1 1HG1 VAL 1 -1.677 -16.133 10.014 7 2HG1 VAL 1 3HG1 VAL 1 -0.820 -14.636 9.649 8 3HG1 VAL 1 2HG1 VAL 1 0.084 -16.117 9.959 9 1HG2 VAL 1 1HG2 VAL 1 -2.839 -14.832 12.079 10 2HG2 VAL 1 3HG2 VAL 1 -1.748 -13.802 13.008 11 3HG2 VAL 1 2HG2 VAL 1 -1.990 -13.505 11.287 12 H ASP 2 H ASP 2 -1.099 -18.791 11.427 13 HA ASP 2 HA ASP 2 1.403 -20.037 12.030 14 1HB ASP 2 2HB ASP 2 -0.727 -21.125 11.261 15 2HB ASP 2 1HB ASP 2 -0.431 -20.480 9.647 16 H ASN 3 H ASN 3 0.393 -18.186 9.114 17 HA ASN 3 HA ASN 3 3.246 -18.207 8.177 18 1HB ASN 3 2HB ASN 3 0.588 -17.824 6.754 19 2HB ASN 3 1HB ASN 3 2.154 -17.648 5.963 20 1HD2 ASN 3 1HD2 ASN 3 -0.262 -19.941 6.834 21 2HD2 ASN 3 2HD2 ASN 3 0.635 -21.344 6.504 22 H LYS 4 H LYS 4 4.182 -16.370 9.032 23 HA LYS 4 HA LYS 4 2.845 -13.906 9.648 24 1HB LYS 4 2HB LYS 4 5.126 -13.041 9.935 25 2HB LYS 4 1HB LYS 4 5.010 -14.663 10.605 26 1HG LYS 4 2HG LYS 4 5.981 -15.548 8.452 27 2HG LYS 4 1HG LYS 4 6.206 -13.881 7.928 28 1HD LYS 4 2HD LYS 4 8.280 -14.263 8.860 29 2HD LYS 4 1HD LYS 4 7.429 -13.671 10.283 30 1HE LYS 4 2HE LYS 4 7.018 -16.543 9.952 31 2HE LYS 4 1HE LYS 4 8.744 -16.143 10.057 32 1HZ LYS 4 1HZ LYS 4 8.283 -14.793 12.015 33 2HZ LYS 4 3HZ LYS 4 6.631 -15.179 11.924 34 3HZ LYS 4 2HZ LYS 4 7.769 -16.391 12.266 35 H PHE 5 H PHE 5 4.521 -14.956 6.677 36 HA PHE 5 HA PHE 5 4.790 -12.512 5.325 37 1HB PHE 5 2HB PHE 5 4.137 -15.270 4.255 38 2HB PHE 5 1HB PHE 5 4.721 -13.935 3.268 39 HD1 PHE 5 HD1 PHE 5 6.535 -13.049 5.909 40 HD2 PHE 5 HD2 PHE 5 6.152 -16.524 3.398 41 HE1 PHE 5 HE1 PHE 5 8.863 -13.695 6.440 42 HE2 PHE 5 HE2 PHE 5 8.481 -17.165 3.944 43 HZ PHE 5 HZ PHE 5 9.836 -15.754 5.462 44 H ASN 6 H ASN 6 1.819 -14.407 5.794 45 HA ASN 6 HA ASN 6 0.151 -13.375 3.761 46 1HB ASN 6 2HB ASN 6 -0.205 -14.396 6.554 47 2HB ASN 6 1HB ASN 6 -1.587 -13.604 5.801 48 1HD2 ASN 6 1HD2 ASN 6 0.886 -16.131 4.962 49 2HD2 ASN 6 2HD2 ASN 6 -0.203 -17.094 4.091 50 H LYS 7 H LYS 7 0.476 -11.992 7.110 51 HA LYS 7 HA LYS 7 -0.673 -9.455 6.084 52 1HB LYS 7 2HB LYS 7 -1.516 -10.482 8.176 53 2HB LYS 7 1HB LYS 7 0.075 -10.211 8.916 54 1HG LYS 7 2HG LYS 7 -0.731 -7.770 7.722 55 2HG LYS 7 1HG LYS 7 -2.145 -8.392 8.565 56 1HD LYS 7 2HD LYS 7 0.590 -8.162 9.841 57 2HD LYS 7 1HD LYS 7 -0.651 -6.915 9.957 58 1HE LYS 7 2HE LYS 7 -2.096 -8.293 11.233 59 2HE LYS 7 1HE LYS 7 -1.246 -9.775 10.758 60 1HZ LYS 7 3HZ LYS 7 -0.082 -7.566 12.381 61 2HZ LYS 7 2HZ LYS 7 -0.597 -9.066 12.988 62 3HZ LYS 7 1HZ LYS 7 0.723 -8.989 11.922 63 H GLU 8 H GLU 8 2.521 -10.740 6.559 64 HA GLU 8 HA GLU 8 3.824 -8.250 7.346 65 1HB GLU 8 2HB GLU 8 4.737 -10.829 6.054 66 2HB GLU 8 1HB GLU 8 5.830 -9.459 6.236 67 1HG GLU 8 2HG GLU 8 4.323 -10.798 8.502 68 2HG GLU 8 1HG GLU 8 6.038 -11.033 8.122 69 H GLN 9 H GLN 9 3.040 -9.886 4.286 70 HA GLN 9 HA GLN 9 4.135 -7.915 2.510 71 1HB GLN 9 2HB GLN 9 1.831 -9.878 2.266 72 2HB GLN 9 1HB GLN 9 2.483 -8.957 0.917 73 1HG GLN 9 2HG GLN 9 4.622 -10.054 1.108 74 2HG GLN 9 1HG GLN 9 4.117 -10.878 2.587 75 1HE2 GLN 9 1HE2 GLN 9 3.564 -10.742 -0.943 76 2HE2 GLN 9 2HE2 GLN 9 2.781 -12.245 -1.039 77 H GLN 10 H GLN 10 1.016 -8.371 4.154 78 HA GLN 10 HA GLN 10 -0.482 -6.179 3.031 79 1HB GLN 10 2HB GLN 10 -0.801 -8.282 4.842 80 2HB GLN 10 1HB GLN 10 -1.038 -6.847 5.807 81 1HG GLN 10 2HG GLN 10 -3.151 -6.844 5.013 82 2HG GLN 10 1HG GLN 10 -2.457 -6.271 3.514 83 1HE2 GLN 10 1HE2 GLN 10 -2.463 -9.560 5.065 84 2HE2 GLN 10 2HE2 GLN 10 -3.144 -10.338 3.721 85 H ASN 11 H ASN 11 1.525 -6.430 5.982 86 HA ASN 11 HA ASN 11 1.174 -3.651 6.767 87 1HB ASN 11 2HB ASN 11 1.834 -5.736 8.168 88 2HB ASN 11 1HB ASN 11 3.462 -5.495 7.527 89 1HD2 ASN 11 1HD2 ASN 11 4.745 -3.885 8.527 90 2HD2 ASN 11 2HD2 ASN 11 4.164 -2.800 9.695 91 H ALA 12 H ALA 12 3.802 -5.471 5.123 92 HA ALA 12 HA ALA 12 5.627 -3.276 4.816 93 1HB ALA 12 1HB ALA 12 5.137 -5.913 3.430 94 2HB ALA 12 2HB ALA 12 6.501 -5.434 4.450 95 3HB ALA 12 3HB ALA 12 6.352 -4.788 2.811 96 H PHE 13 H PHE 13 3.059 -4.582 2.694 97 HA PHE 13 HA PHE 13 3.333 -2.797 0.468 98 1HB PHE 13 2HB PHE 13 1.887 -4.757 0.354 99 2HB PHE 13 1HB PHE 13 0.984 -4.243 1.772 100 HD1 PHE 13 HD1 PHE 13 -1.147 -3.518 1.281 101 HD2 PHE 13 HD2 PHE 13 2.041 -2.631 -1.422 102 HE1 PHE 13 HE1 PHE 13 -2.743 -2.379 -0.211 103 HE2 PHE 13 HE2 PHE 13 0.451 -1.483 -2.929 104 HZ PHE 13 HZ PHE 13 -1.943 -1.366 -2.309 105 H TYR 14 H TYR 14 1.176 -2.687 3.282 106 HA TYR 14 HA TYR 14 -0.032 -0.177 3.020 107 1HB TYR 14 2HB TYR 14 -0.567 -1.942 4.616 108 2HB TYR 14 1HB TYR 14 0.964 -1.690 5.446 109 HD1 TYR 14 HD1 TYR 14 -2.199 0.014 4.473 110 HD2 TYR 14 HD2 TYR 14 1.167 -0.075 7.126 111 HE1 TYR 14 HE1 TYR 14 -3.265 1.703 5.849 112 HE2 TYR 14 HE2 TYR 14 0.113 1.673 8.523 113 HH TYR 14 HH TYR 14 -1.697 3.584 8.003 114 H GLU 15 H GLU 15 2.936 -0.919 4.913 115 HA GLU 15 HA GLU 15 3.604 1.773 5.580 116 1HB GLU 15 2HB GLU 15 5.225 -0.774 5.312 117 2HB GLU 15 1HB GLU 15 5.868 0.718 5.994 118 1HG GLU 15 2HG GLU 15 3.442 -0.772 7.056 119 2HG GLU 15 1HG GLU 15 5.050 -0.821 7.768 120 H ILE 16 H ILE 16 4.694 -0.283 2.788 121 HA ILE 16 HA ILE 16 6.536 1.541 1.593 122 HB ILE 16 HB ILE 16 4.743 -0.691 0.700 123 1HG1 ILE 16 2HG1 ILE 16 7.509 -0.436 -0.286 124 2HG1 ILE 16 1HG1 ILE 16 7.373 -0.403 1.468 125 1HG2 ILE 16 1HG2 ILE 16 5.942 1.279 -1.252 126 2HG2 ILE 16 3HG2 ILE 16 5.557 -0.388 -1.695 127 3HG2 ILE 16 2HG2 ILE 16 4.276 0.705 -1.170 128 1HD1 ILE 16 3HD1 ILE 16 5.722 -2.456 0.144 129 2HD1 ILE 16 2HD1 ILE 16 7.483 -2.683 -0.011 130 3HD1 ILE 16 1HD1 ILE 16 6.745 -2.568 1.586 131 H LEU 17 H LEU 17 3.003 1.337 1.244 132 HA LEU 17 HA LEU 17 2.675 3.628 -0.518 133 1HB LEU 17 2HB LEU 17 0.780 2.283 1.439 134 2HB LEU 17 1HB LEU 17 0.295 3.378 0.154 135 HG LEU 17 HG LEU 17 1.990 1.153 -0.752 136 1HD1 LEU 17 1HD1 LEU 17 0.157 0.409 1.106 137 2HD1 LEU 17 3HD1 LEU 17 -0.829 0.432 -0.366 138 3HD1 LEU 17 2HD1 LEU 17 0.615 -0.574 -0.283 139 1HD2 LEU 17 1HD2 LEU 17 0.454 2.913 -2.013 140 2HD2 LEU 17 3HD2 LEU 17 0.657 1.251 -2.607 141 3HD2 LEU 17 2HD2 LEU 17 -0.777 1.671 -1.646 142 H HIS 18 H HIS 18 2.473 3.260 3.063 143 HA HIS 18 HA HIS 18 1.613 5.994 3.537 144 1HB HIS 18 2HB HIS 18 2.625 3.714 5.238 145 2HB HIS 18 1HB HIS 18 2.366 5.304 5.942 146 HD1 HIS 18 HD1 HIS 18 -0.159 6.276 5.799 147 HD2 HIS 18 HD2 HIS 18 0.272 2.240 4.867 148 HE1 HIS 18 HE1 HIS 18 -2.485 5.171 5.790 149 H LEU 19 H LEU 19 4.846 4.512 3.221 150 HA LEU 19 HA LEU 19 6.451 6.263 4.744 151 1HB LEU 19 2HB LEU 19 6.887 4.819 2.122 152 2HB LEU 19 1HB LEU 19 8.172 5.773 2.854 153 HG LEU 19 HG LEU 19 6.725 3.534 4.303 154 1HD1 LEU 19 2HD1 LEU 19 9.216 3.548 2.599 155 2HD1 LEU 19 1HD1 LEU 19 8.992 2.355 3.881 156 3HD1 LEU 19 3HD1 LEU 19 7.851 2.434 2.541 157 1HD2 LEU 19 1HD2 LEU 19 8.027 5.431 5.562 158 2HD2 LEU 19 3HD2 LEU 19 8.342 3.749 6.004 159 3HD2 LEU 19 2HD2 LEU 19 9.462 4.612 4.951 160 HA PRO 20 HA PRO 20 5.427 10.146 2.760 161 1HB PRO 20 2HB PRO 20 7.202 11.692 4.170 162 2HB PRO 20 1HB PRO 20 5.643 11.139 4.814 163 1HG PRO 20 2HG PRO 20 8.370 9.985 5.217 164 2HG PRO 20 1HG PRO 20 7.084 10.274 6.403 165 1HD PRO 20 1HD PRO 20 7.529 7.834 5.402 166 2HD PRO 20 2HD PRO 20 5.885 8.403 5.764 167 H ASN 21 H ASN 21 8.636 8.645 2.595 168 HA ASN 21 HA ASN 21 9.414 10.696 0.549 169 1HB ASN 21 2HB ASN 21 11.034 8.894 2.359 170 2HB ASN 21 1HB ASN 21 11.743 9.915 1.109 171 1HD2 ASN 21 1HD2 ASN 21 10.810 9.889 4.391 172 2HD2 ASN 21 2HD2 ASN 21 10.795 11.566 4.646 173 H LEU 22 H LEU 22 7.969 7.742 0.507 174 HA LEU 22 HA LEU 22 9.698 6.485 -1.537 175 1HB LEU 22 2HB LEU 22 7.156 5.755 -0.079 176 2HB LEU 22 1HB LEU 22 7.566 4.907 -1.564 177 HG LEU 22 HG LEU 22 8.907 4.811 1.113 178 1HD1 LEU 22 3HD1 LEU 22 8.157 2.898 -1.092 179 2HD1 LEU 22 2HD1 LEU 22 9.284 2.412 0.180 180 3HD1 LEU 22 1HD1 LEU 22 7.635 2.896 0.592 181 1HD2 LEU 22 2HD2 LEU 22 10.355 4.455 -1.532 182 2HD2 LEU 22 1HD2 LEU 22 10.751 5.608 -0.236 183 3HD2 LEU 22 3HD2 LEU 22 10.963 3.872 0.021 184 H ASN 23 H ASN 23 9.232 6.439 -3.698 185 HA ASN 23 HA ASN 23 6.974 8.188 -4.629 186 1HB ASN 23 2HB ASN 23 8.486 8.465 -6.682 187 2HB ASN 23 1HB ASN 23 9.049 9.212 -5.201 188 1HD2 ASN 23 1HD2 ASN 23 11.113 8.548 -4.412 189 2HD2 ASN 23 2HD2 ASN 23 12.015 7.284 -5.093 190 H GLU 24 H GLU 24 6.765 7.527 -7.212 191 HA GLU 24 HA GLU 24 5.348 5.023 -7.206 192 1HB GLU 24 2HB GLU 24 6.316 6.966 -9.316 193 2HB GLU 24 1HB GLU 24 5.520 5.468 -9.790 194 1HG GLU 24 2HG GLU 24 3.724 6.971 -9.661 195 2HG GLU 24 1HG GLU 24 3.675 6.183 -8.089 196 H GLU 25 H GLU 25 8.668 5.860 -8.320 197 HA GLU 25 HA GLU 25 9.216 3.310 -9.548 198 1HB GLU 25 2HB GLU 25 10.529 5.407 -9.872 199 2HB GLU 25 1HB GLU 25 11.099 5.290 -8.211 200 1HG GLU 25 2HG GLU 25 12.802 4.373 -9.699 201 2HG GLU 25 1HG GLU 25 12.107 3.066 -8.746 202 H GLN 26 H GLN 26 9.922 4.537 -6.236 203 HA GLN 26 HA GLN 26 11.004 1.985 -5.320 204 1HB GLN 26 2HB GLN 26 10.053 4.423 -3.797 205 2HB GLN 26 1HB GLN 26 11.028 3.120 -3.129 206 1HG GLN 26 2HG GLN 26 11.818 5.146 -5.235 207 2HG GLN 26 1HG GLN 26 12.569 4.858 -3.672 208 1HE2 GLN 26 1HE2 GLN 26 13.389 4.534 -6.756 209 2HE2 GLN 26 2HE2 GLN 26 14.230 3.060 -6.730 210 H ARG 27 H ARG 27 7.978 3.726 -4.426 211 HA ARG 27 HA ARG 27 6.872 1.673 -2.809 212 1HB ARG 27 2HB ARG 27 6.059 3.986 -2.869 213 2HB ARG 27 1HB ARG 27 5.541 3.787 -4.541 214 1HG ARG 27 2HG ARG 27 4.034 1.917 -3.729 215 2HG ARG 27 1HG ARG 27 4.388 2.460 -2.090 216 1HD ARG 27 2HD ARG 27 2.345 3.552 -2.775 217 2HD ARG 27 1HD ARG 27 3.622 4.782 -2.842 218 HE ARG 27 HE ARG 27 2.840 3.209 -5.278 219 1HH1 ARG 27 1HH1 ARG 27 4.836 5.716 -4.379 220 2HH1 ARG 27 2HH1 ARG 27 4.202 6.879 -5.491 221 1HH2 ARG 27 1HH2 ARG 27 1.479 4.924 -6.418 222 2HH2 ARG 27 2HH2 ARG 27 2.293 6.435 -6.639 223 H ASN 28 H ASN 28 6.186 2.329 -6.330 224 HA ASN 28 HA ASN 28 4.298 0.164 -6.630 225 1HB ASN 28 2HB ASN 28 6.044 1.430 -8.742 226 2HB ASN 28 1HB ASN 28 4.562 0.561 -9.031 227 1HD2 ASN 28 1HD2 ASN 28 4.617 3.084 -10.080 228 2HD2 ASN 28 2HD2 ASN 28 3.687 4.158 -9.152 229 H ALA 29 H ALA 29 7.825 0.385 -7.286 230 HA ALA 29 HA ALA 29 8.196 -2.260 -8.353 231 1HB ALA 29 1HB ALA 29 9.827 -0.375 -8.345 232 2HB ALA 29 2HB ALA 29 10.514 -1.872 -7.709 233 3HB ALA 29 3HB ALA 29 10.012 -0.593 -6.602 234 H PHE 30 H PHE 30 8.125 -0.986 -5.032 235 HA PHE 30 HA PHE 30 8.895 -3.366 -3.643 236 1HB PHE 30 2HB PHE 30 7.319 -0.875 -3.017 237 2HB PHE 30 1HB PHE 30 7.463 -2.160 -1.818 238 HD1 PHE 30 HD1 PHE 30 8.602 0.642 -1.518 239 HD2 PHE 30 HD2 PHE 30 10.337 -2.983 -3.034 240 HE1 PHE 30 HE1 PHE 30 10.851 1.429 -0.880 241 HE2 PHE 30 HE2 PHE 30 12.555 -2.202 -2.392 242 HZ PHE 30 HZ PHE 30 12.824 -0.046 -1.308 243 H ILE 31 H ILE 31 5.732 -2.074 -4.517 244 HA ILE 31 HA ILE 31 4.187 -4.231 -3.408 245 HB ILE 31 HB ILE 31 3.708 -2.226 -5.624 246 1HG1 ILE 31 2HG1 ILE 31 2.728 -2.233 -2.793 247 2HG1 ILE 31 1HG1 ILE 31 4.258 -1.501 -3.217 248 1HG2 ILE 31 2HG2 ILE 31 2.131 -4.464 -4.735 249 2HG2 ILE 31 1HG2 ILE 31 1.322 -2.937 -4.394 250 3HG2 ILE 31 3HG2 ILE 31 1.813 -3.327 -6.036 251 1HD1 ILE 31 2HD1 ILE 31 1.650 -0.787 -4.558 252 2HD1 ILE 31 1HD1 ILE 31 2.301 0.069 -3.140 253 3HD1 ILE 31 3HD1 ILE 31 3.211 0.071 -4.655 254 H GLN 32 H GLN 32 6.042 -3.896 -6.450 255 HA GLN 32 HA GLN 32 4.855 -6.272 -7.710 256 1HB GLN 32 2HB GLN 32 7.356 -4.605 -8.179 257 2HB GLN 32 1HB GLN 32 6.911 -5.970 -9.204 258 1HG GLN 32 2HG GLN 32 4.792 -4.908 -9.776 259 2HG GLN 32 1HG GLN 32 5.116 -3.582 -8.665 260 1HE2 GLN 32 1HE2 GLN 32 6.044 -4.991 -11.798 261 2HE2 GLN 32 2HE2 GLN 32 6.920 -3.641 -12.334 262 H SER 33 H SER 33 8.009 -5.590 -6.075 263 HA SER 33 HA SER 33 8.943 -8.313 -5.932 264 1HB SER 33 2HB SER 33 10.352 -7.274 -4.039 265 2HB SER 33 1HB SER 33 10.531 -6.601 -5.654 266 HG SER 33 HG SER 33 8.880 -5.588 -3.568 267 H LEU 34 H LEU 34 6.731 -6.475 -3.937 268 HA LEU 34 HA LEU 34 6.709 -8.312 -1.660 269 1HB LEU 34 2HB LEU 34 6.418 -5.821 -1.642 270 2HB LEU 34 1HB LEU 34 4.899 -6.019 -2.500 271 HG LEU 34 HG LEU 34 4.141 -7.459 -0.540 272 1HD1 LEU 34 2HD1 LEU 34 6.707 -6.326 0.548 273 2HD1 LEU 34 1HD1 LEU 34 5.390 -6.866 1.588 274 3HD1 LEU 34 3HD1 LEU 34 6.187 -8.012 0.512 275 1HD2 LEU 34 1HD2 LEU 34 3.616 -4.994 -0.952 276 2HD2 LEU 34 3HD2 LEU 34 3.485 -5.542 0.714 277 3HD2 LEU 34 2HD2 LEU 34 4.900 -4.632 0.198 278 H LYS 35 H LYS 35 4.383 -7.496 -4.320 279 HA LYS 35 HA LYS 35 2.411 -9.479 -3.550 280 1HB LYS 35 2HB LYS 35 2.916 -7.666 -5.888 281 2HB LYS 35 1HB LYS 35 1.821 -8.990 -6.141 282 1HG LYS 35 2HG LYS 35 1.003 -7.990 -3.715 283 2HG LYS 35 1HG LYS 35 1.383 -6.555 -4.670 284 1HD LYS 35 2HD LYS 35 -0.255 -7.001 -6.237 285 2HD LYS 35 1HD LYS 35 -0.172 -8.745 -5.986 286 1HE LYS 35 2HE LYS 35 -1.057 -7.222 -3.604 287 2HE LYS 35 1HE LYS 35 -2.173 -7.157 -4.978 288 1HZ LYS 35 1HZ LYS 35 -0.970 -9.642 -3.859 289 2HZ LYS 35 3HZ LYS 35 -2.564 -9.124 -3.595 290 3HZ LYS 35 2HZ LYS 35 -2.065 -9.563 -5.158 291 H ASP 36 H ASP 36 5.228 -9.559 -5.753 292 HA ASP 36 HA ASP 36 4.623 -12.270 -6.717 293 1HB ASP 36 2HB ASP 36 6.947 -10.350 -7.023 294 2HB ASP 36 1HB ASP 36 6.964 -11.962 -7.729 295 H ASP 37 H ASP 37 6.942 -10.823 -4.359 296 HA ASP 37 HA ASP 37 7.664 -13.610 -3.487 297 1HB ASP 37 2HB ASP 37 9.386 -11.934 -4.514 298 2HB ASP 37 1HB ASP 37 9.306 -11.138 -2.940 299 HA PRO 38 HA PRO 38 5.379 -12.174 0.168 300 1HB PRO 38 2HB PRO 38 5.158 -14.649 1.311 301 2HB PRO 38 1HB PRO 38 4.101 -14.087 0.001 302 1HG PRO 38 2HG PRO 38 6.503 -15.842 -0.147 303 2HG PRO 38 1HG PRO 38 4.933 -16.006 -0.952 304 1HD PRO 38 1HD PRO 38 7.097 -15.028 -2.219 305 2HD PRO 38 2HD PRO 38 5.446 -14.466 -2.569 306 H SER 39 H SER 39 8.191 -14.405 0.269 307 HA SER 39 HA SER 39 8.843 -14.063 3.044 308 1HB SER 39 2HB SER 39 10.592 -14.742 0.659 309 2HB SER 39 1HB SER 39 11.014 -15.036 2.341 310 HG SER 39 HG SER 39 9.987 -16.849 2.073 311 H GLN 40 H GLN 40 9.896 -12.211 0.169 312 HA GLN 40 HA GLN 40 11.885 -10.630 1.581 313 1HB GLN 40 2HB GLN 40 11.614 -11.166 -0.939 314 2HB GLN 40 1HB GLN 40 10.408 -9.878 -0.955 315 1HG GLN 40 2HG GLN 40 12.185 -8.375 0.091 316 2HG GLN 40 1HG GLN 40 13.345 -9.648 -0.263 317 1HE2 GLN 40 1HE2 GLN 40 13.719 -7.164 -1.505 318 2HE2 GLN 40 2HE2 GLN 40 13.352 -7.284 -3.157 319 H SER 41 H SER 41 8.426 -10.464 1.623 320 HA SER 41 HA SER 41 7.756 -7.801 1.476 321 1HB SER 41 2HB SER 41 5.884 -8.380 2.972 322 2HB SER 41 1HB SER 41 6.220 -9.703 1.864 323 HG SER 41 HG SER 41 6.772 -10.911 3.506 324 H ALA 42 H ALA 42 8.853 -9.244 4.667 325 HA ALA 42 HA ALA 42 8.742 -6.729 6.074 326 1HB ALA 42 1HB ALA 42 10.637 -9.062 6.341 327 2HB ALA 42 2HB ALA 42 9.083 -8.884 7.169 328 3HB ALA 42 3HB ALA 42 10.420 -7.793 7.541 329 H ASN 43 H ASN 43 11.465 -8.306 4.344 330 HA ASN 43 HA ASN 43 13.469 -6.310 4.687 331 1HB ASN 43 2HB ASN 43 12.868 -8.580 2.916 332 2HB ASN 43 1HB ASN 43 13.810 -7.307 2.126 333 1HD2 ASN 43 1HD2 ASN 43 13.861 -8.629 5.519 334 2HD2 ASN 43 2HD2 ASN 43 15.527 -8.948 5.510 335 H LEU 44 H LEU 44 10.808 -6.652 2.358 336 HA LEU 44 HA LEU 44 11.497 -4.485 0.619 337 1HB LEU 44 2HB LEU 44 8.984 -5.974 1.298 338 2HB LEU 44 1HB LEU 44 8.976 -4.643 0.136 339 HG LEU 44 HG LEU 44 10.837 -7.009 0.012 340 1HD1 LEU 44 3HD1 LEU 44 8.298 -7.334 -0.326 341 2HD1 LEU 44 2HD1 LEU 44 8.544 -6.461 -1.838 342 3HD1 LEU 44 1HD1 LEU 44 9.397 -7.981 -1.545 343 1HD2 LEU 44 3HD2 LEU 44 10.778 -4.382 -1.207 344 2HD2 LEU 44 2HD2 LEU 44 11.969 -5.682 -1.384 345 3HD2 LEU 44 1HD2 LEU 44 10.552 -5.649 -2.453 346 H LEU 45 H LEU 45 9.452 -4.689 3.533 347 HA LEU 45 HA LEU 45 8.788 -1.848 3.384 348 1HB LEU 45 2HB LEU 45 7.404 -3.287 4.668 349 2HB LEU 45 1HB LEU 45 8.770 -3.906 5.594 350 HG LEU 45 HG LEU 45 9.091 -1.794 6.679 351 1HD1 LEU 45 2HD1 LEU 45 7.083 -0.766 4.651 352 2HD1 LEU 45 1HD1 LEU 45 7.492 0.134 6.108 353 3HD1 LEU 45 3HD1 LEU 45 8.739 -0.204 4.907 354 1HD2 LEU 45 3HD2 LEU 45 7.240 -3.309 7.430 355 2HD2 LEU 45 2HD2 LEU 45 7.034 -1.621 7.905 356 3HD2 LEU 45 1HD2 LEU 45 6.113 -2.277 6.550 357 H ALA 46 H ALA 46 11.292 -3.791 5.084 358 HA ALA 46 HA ALA 46 12.641 -1.672 6.481 359 1HB ALA 46 3HB ALA 46 13.401 -4.292 5.188 360 2HB ALA 46 2HB ALA 46 14.669 -3.240 5.832 361 3HB ALA 46 1HB ALA 46 13.404 -3.858 6.905 362 H GLU 47 H GLU 47 13.201 -2.901 3.123 363 HA GLU 47 HA GLU 47 15.226 -0.928 2.553 364 1HB GLU 47 2HB GLU 47 14.995 -1.724 0.219 365 2HB GLU 47 1HB GLU 47 15.171 -3.050 1.355 366 1HG GLU 47 2HG GLU 47 12.651 -3.203 1.294 367 2HG GLU 47 1HG GLU 47 12.738 -2.135 -0.107 368 H ALA 48 H ALA 48 11.653 -1.069 2.110 369 HA ALA 48 HA ALA 48 11.444 1.395 0.642 370 1HB ALA 48 3HB ALA 48 9.749 -0.404 0.945 371 2HB ALA 48 2HB ALA 48 9.612 0.061 2.650 372 3HB ALA 48 1HB ALA 48 9.119 1.184 1.371 373 H LYS 49 H LYS 49 11.584 0.596 4.113 374 HA LYS 49 HA LYS 49 11.097 3.301 5.061 375 1HB LYS 49 2HB LYS 49 11.715 0.592 6.061 376 2HB LYS 49 1HB LYS 49 12.299 1.885 7.095 377 1HG LYS 49 2HG LYS 49 10.166 2.701 7.511 378 2HG LYS 49 1HG LYS 49 9.545 2.138 5.960 379 1HD LYS 49 2HD LYS 49 8.553 0.655 7.446 380 2HD LYS 49 1HD LYS 49 9.991 -0.234 6.933 381 1HE LYS 49 2HE LYS 49 11.187 0.433 8.922 382 2HE LYS 49 1HE LYS 49 9.870 1.526 9.394 383 1HZ LYS 49 3HZ LYS 49 9.610 -1.424 9.045 384 2HZ LYS 49 2HZ LYS 49 9.696 -0.623 10.541 385 3HZ LYS 49 1HZ LYS 49 8.369 -0.364 9.514 386 H LYS 50 H LYS 50 13.833 1.260 4.291 387 HA LYS 50 HA LYS 50 16.040 2.882 5.141 388 1HB LYS 50 2HB LYS 50 16.444 0.609 4.612 389 2HB LYS 50 1HB LYS 50 15.419 0.677 3.196 390 1HG LYS 50 2HG LYS 50 17.322 2.331 2.321 391 2HG LYS 50 1HG LYS 50 18.293 1.407 3.471 392 1HD LYS 50 2HD LYS 50 16.481 0.051 1.442 393 2HD LYS 50 1HD LYS 50 18.161 0.468 1.075 394 1HE LYS 50 2HE LYS 50 18.868 -0.855 3.115 395 2HE LYS 50 1HE LYS 50 17.182 -1.390 3.278 396 1HZ LYS 50 3HZ LYS 50 17.280 -2.178 0.964 397 2HZ LYS 50 2HZ LYS 50 18.921 -1.745 0.883 398 3HZ LYS 50 1HZ LYS 50 18.412 -2.970 1.944 399 H LEU 51 H LEU 51 14.041 2.700 2.191 400 HA LEU 51 HA LEU 51 15.466 4.718 0.652 401 1HB LEU 51 2HB LEU 51 13.003 3.074 0.534 402 2HB LEU 51 1HB LEU 51 12.892 4.611 -0.308 403 HG LEU 51 HG LEU 51 14.507 4.034 -1.858 404 1HD1 LEU 51 1HD1 LEU 51 15.586 2.265 0.309 405 2HD1 LEU 51 3HD1 LEU 51 15.966 1.886 -1.373 406 3HD1 LEU 51 2HD1 LEU 51 16.436 3.447 -0.689 407 1HD2 LEU 51 2HD2 LEU 51 12.930 1.677 -0.949 408 2HD2 LEU 51 1HD2 LEU 51 12.822 2.586 -2.458 409 3HD2 LEU 51 3HD2 LEU 51 14.143 1.442 -2.212 410 H ASN 52 H ASN 52 12.674 4.692 2.833 411 HA ASN 52 HA ASN 52 11.638 7.279 2.407 412 1HB ASN 52 2HB ASN 52 10.694 5.353 3.738 413 2HB ASN 52 1HB ASN 52 11.833 5.759 5.022 414 1HD2 ASN 52 1HD2 ASN 52 11.191 7.358 6.478 415 2HD2 ASN 52 2HD2 ASN 52 9.852 8.379 6.255 416 H ASP 53 H ASP 53 14.253 6.187 4.599 417 HA ASP 53 HA ASP 53 14.760 8.904 5.630 418 1HB ASP 53 2HB ASP 53 16.288 6.294 5.892 419 2HB ASP 53 1HB ASP 53 16.588 7.751 6.836 420 H ALA 54 H ALA 54 16.347 6.671 3.312 421 HA ALA 54 HA ALA 54 18.684 8.305 2.817 422 1HB ALA 54 2HB ALA 54 17.276 6.260 1.061 423 2HB ALA 54 1HB ALA 54 18.956 6.778 0.902 424 3HB ALA 54 3HB ALA 54 18.442 5.872 2.325 425 H GLN 55 H GLN 55 15.627 7.888 0.983 426 HA GLN 55 HA GLN 55 16.182 9.981 -0.957 427 1HB GLN 55 2HB GLN 55 13.628 8.587 -0.110 428 2HB GLN 55 1HB GLN 55 13.780 9.621 -1.528 429 1HG GLN 55 2HG GLN 55 15.583 8.096 -2.385 430 2HG GLN 55 1HG GLN 55 15.269 7.015 -1.024 431 1HE2 GLN 55 1HE2 GLN 55 12.569 6.828 -0.838 432 2HE2 GLN 55 2HE2 GLN 55 11.871 6.309 -2.293 433 H ALA 56 H ALA 56 14.887 9.978 2.311 434 HA ALA 56 HA ALA 56 13.185 12.224 2.360 435 1HB ALA 56 2HB ALA 56 14.623 12.355 4.727 436 2HB ALA 56 1HB ALA 56 13.197 11.359 4.450 437 3HB ALA 56 3HB ALA 56 14.806 10.668 4.241 438 HA PRO 57 HA PRO 57 15.705 15.732 1.694 439 1HB PRO 57 2HB PRO 57 14.312 17.610 3.113 440 2HB PRO 57 1HB PRO 57 13.747 16.948 1.569 441 1HG PRO 57 2HG PRO 57 12.926 16.237 4.338 442 2HG PRO 57 1HG PRO 57 11.938 16.413 2.876 443 1HD PRO 57 1HD PRO 57 12.717 14.007 3.879 444 2HD PRO 57 2HD PRO 57 12.400 14.291 2.153 445 H LYS 58 H LYS 58 17.347 16.977 2.728 446 HA LYS 58 HA LYS 58 17.613 16.850 5.687 447 1HB LYS 58 2HB LYS 58 19.827 15.812 5.531 448 2HB LYS 58 1HB LYS 58 18.639 14.789 4.730 449 1HG LYS 58 2HG LYS 58 20.071 14.797 2.971 450 2HG LYS 58 1HG LYS 58 19.491 16.435 2.669 451 1HD LYS 58 2HD LYS 58 21.321 17.093 4.457 452 2HD LYS 58 1HD LYS 58 22.025 15.539 4.013 453 1HE LYS 58 2HE LYS 58 23.051 16.815 2.387 454 2HE LYS 58 1HE LYS 58 21.521 16.544 1.531 455 1HZ LYS 58 3HZ LYS 58 22.076 18.828 3.366 456 2HZ LYS 58 2HZ LYS 58 22.078 18.916 1.669 457 3HZ LYS 58 1HZ LYS 58 20.638 18.567 2.499 458 H1 VAL 1 1H VAL 1 4.018 -13.585 -8.129 459 H2 VAL 1 3H VAL 1 3.975 -15.279 -8.095 460 H3 VAL 1 2H VAL 1 5.211 -14.447 -7.287 461 HA VAL 1 HA VAL 1 6.259 -13.770 -9.262 462 HB VAL 1 HB VAL 1 6.711 -15.923 -10.366 463 1HG1 VAL 1 2HG1 VAL 1 7.514 -15.421 -8.006 464 2HG1 VAL 1 1HG1 VAL 1 6.211 -16.463 -7.435 465 3HG1 VAL 1 3HG1 VAL 1 7.484 -17.124 -8.462 466 1HG2 VAL 1 2HG2 VAL 1 4.332 -16.697 -10.537 467 2HG2 VAL 1 1HG2 VAL 1 5.415 -17.928 -9.893 468 3HG2 VAL 1 3HG2 VAL 1 4.351 -17.035 -8.807 469 H ASP 2 H ASP 2 2.937 -14.885 -9.903 470 HA ASP 2 HA ASP 2 3.053 -13.461 -12.542 471 1HB ASP 2 2HB ASP 2 1.574 -15.230 -13.424 472 2HB ASP 2 1HB ASP 2 3.048 -15.936 -12.782 473 H ASN 3 H ASN 3 2.382 -11.768 -10.752 474 HA ASN 3 HA ASN 3 -0.609 -11.645 -10.773 475 1HB ASN 3 2HB ASN 3 -0.299 -10.514 -8.444 476 2HB ASN 3 1HB ASN 3 -0.176 -12.265 -8.542 477 1HD2 ASN 3 1HD2 ASN 3 1.816 -9.286 -8.313 478 2HD2 ASN 3 2HD2 ASN 3 3.176 -10.066 -7.670 479 H LYS 4 H LYS 4 -0.786 -10.103 -12.368 480 HA LYS 4 HA LYS 4 0.922 -7.767 -12.610 481 1HB LYS 4 2HB LYS 4 -0.606 -7.164 -14.393 482 2HB LYS 4 1HB LYS 4 -0.389 -8.911 -14.436 483 1HG LYS 4 2HG LYS 4 -2.510 -9.161 -13.119 484 2HG LYS 4 1HG LYS 4 -2.739 -7.416 -13.222 485 1HD LYS 4 2HD LYS 4 -2.587 -7.677 -15.756 486 2HD LYS 4 1HD LYS 4 -2.715 -9.418 -15.490 487 1HE LYS 4 2HE LYS 4 -4.877 -9.126 -14.365 488 2HE LYS 4 1HE LYS 4 -4.744 -7.364 -14.523 489 1HZ LYS 4 2HZ LYS 4 -4.736 -9.303 -16.787 490 2HZ LYS 4 1HZ LYS 4 -6.049 -8.321 -16.339 491 3HZ LYS 4 3HZ LYS 4 -4.625 -7.612 -16.924 492 H PHE 5 H PHE 5 -1.549 -8.394 -10.354 493 HA PHE 5 HA PHE 5 -2.897 -5.899 -10.152 494 1HB PHE 5 2HB PHE 5 -2.359 -8.232 -8.339 495 2HB PHE 5 1HB PHE 5 -3.247 -6.836 -7.762 496 HD1 PHE 5 HD1 PHE 5 -5.297 -6.051 -9.109 497 HD2 PHE 5 HD2 PHE 5 -3.439 -9.885 -9.654 498 HE1 PHE 5 HE1 PHE 5 -7.347 -6.886 -10.216 499 HE2 PHE 5 HE2 PHE 5 -5.492 -10.720 -10.761 500 HZ PHE 5 HZ PHE 5 -7.448 -9.220 -11.043 501 H ASN 6 H ASN 6 0.355 -6.691 -9.196 502 HA ASN 6 HA ASN 6 0.707 -4.935 -6.987 503 1HB ASN 6 2HB ASN 6 3.150 -4.842 -7.886 504 2HB ASN 6 1HB ASN 6 2.504 -6.388 -7.371 505 1HD2 ASN 6 1HD2 ASN 6 3.717 -7.761 -8.771 506 2HD2 ASN 6 2HD2 ASN 6 3.616 -7.691 -10.463 507 H LYS 7 H LYS 7 0.786 -4.236 -10.443 508 HA LYS 7 HA LYS 7 1.585 -1.472 -10.272 509 1HB LYS 7 2HB LYS 7 1.538 -2.990 -12.317 510 2HB LYS 7 1HB LYS 7 -0.217 -2.786 -12.325 511 1HG LYS 7 2HG LYS 7 0.609 -1.143 -13.844 512 2HG LYS 7 1HG LYS 7 0.228 -0.256 -12.368 513 1HD LYS 7 2HD LYS 7 2.684 -0.612 -11.705 514 2HD LYS 7 1HD LYS 7 2.950 -1.121 -13.371 515 1HE LYS 7 2HE LYS 7 3.339 1.121 -13.710 516 2HE LYS 7 1HE LYS 7 1.568 1.216 -13.769 517 1HZ LYS 7 2HZ LYS 7 1.542 1.561 -11.365 518 2HZ LYS 7 1HZ LYS 7 3.240 1.494 -11.317 519 3HZ LYS 7 3HZ LYS 7 2.463 2.765 -12.129 520 H GLU 8 H GLU 8 -1.500 -3.111 -9.994 521 HA GLU 8 HA GLU 8 -3.190 -0.778 -10.041 522 1HB GLU 8 2HB GLU 8 -3.374 -3.664 -9.588 523 2HB GLU 8 1HB GLU 8 -4.477 -2.757 -8.551 524 1HG GLU 8 2HG GLU 8 -5.482 -1.677 -10.462 525 2HG GLU 8 1HG GLU 8 -4.272 -2.366 -11.546 526 H LEU 9 H LEU 9 -1.449 -2.435 -7.434 527 HA LEU 9 HA LEU 9 -2.760 -0.854 -5.345 528 1HB LEU 9 2HB LEU 9 -0.086 -2.170 -4.975 529 2HB LEU 9 1HB LEU 9 -1.368 -1.916 -3.843 530 HG LEU 9 HG LEU 9 -1.892 -3.741 -6.146 531 1HD1 LEU 9 1HD1 LEU 9 0.160 -4.090 -4.134 532 2HD1 LEU 9 3HD1 LEU 9 -1.118 -5.285 -3.893 533 3HD1 LEU 9 2HD1 LEU 9 -0.280 -5.196 -5.445 534 1HD2 LEU 9 3HD2 LEU 9 -3.711 -2.943 -4.602 535 2HD2 LEU 9 2HD2 LEU 9 -3.468 -4.698 -4.522 536 3HD2 LEU 9 1HD2 LEU 9 -2.822 -3.664 -3.253 537 H SER 10 H SER 10 -0.196 -0.345 -7.601 538 HA SER 10 HA SER 10 1.382 1.572 -6.140 539 1HB SER 10 2HB SER 10 2.524 1.148 -8.063 540 2HB SER 10 1HB SER 10 1.134 0.391 -8.785 541 HG SER 10 HG SER 10 1.685 3.184 -8.726 542 H VAL 11 H VAL 11 -1.360 1.815 -8.467 543 HA VAL 11 HA VAL 11 -1.748 4.703 -7.979 544 HB VAL 11 HB VAL 11 -3.476 2.711 -9.493 545 1HG1 VAL 11 2HG1 VAL 11 -3.277 5.692 -9.325 546 2HG1 VAL 11 1HG1 VAL 11 -3.695 4.974 -10.882 547 3HG1 VAL 11 3HG1 VAL 11 -4.704 4.666 -9.468 548 1HG2 VAL 11 2HG2 VAL 11 -1.043 4.270 -10.437 549 2HG2 VAL 11 1HG2 VAL 11 -1.181 2.513 -10.318 550 3HG2 VAL 11 3HG2 VAL 11 -2.148 3.401 -11.503 551 H ALA 12 H ALA 12 -3.779 1.757 -7.515 552 HA ALA 12 HA ALA 12 -5.868 3.014 -6.021 553 1HB ALA 12 3HB ALA 12 -5.791 0.729 -7.185 554 2HB ALA 12 1HB ALA 12 -6.592 0.776 -5.614 555 3HB ALA 12 2HB ALA 12 -4.945 0.143 -5.743 556 H GLY 13 H GLY 13 -3.049 1.212 -4.924 557 1HA GLY 13 1HA GLY 13 -1.971 1.088 -2.884 558 2HA GLY 13 2HA GLY 13 -3.549 1.355 -2.148 559 H ARG 14 H ARG 14 -1.236 3.328 -4.058 560 HA ARG 14 HA ARG 14 -0.527 5.015 -1.912 561 1HB ARG 14 2HB ARG 14 0.150 4.815 -4.554 562 2HB ARG 14 1HB ARG 14 -0.645 6.383 -4.527 563 1HG ARG 14 2HG ARG 14 1.723 5.477 -2.877 564 2HG ARG 14 1HG ARG 14 1.692 6.760 -4.074 565 1HD ARG 14 2HD ARG 14 0.583 8.246 -2.633 566 2HD ARG 14 1HD ARG 14 -0.062 6.932 -1.633 567 HE ARG 14 HE ARG 14 2.052 6.721 -0.553 568 1HH1 ARG 14 1HH1 ARG 14 2.044 9.747 -0.830 569 2HH1 ARG 14 2HH1 ARG 14 3.623 10.039 -1.478 570 1HH2 ARG 14 1HH2 ARG 14 4.140 6.723 -2.410 571 2HH2 ARG 14 2HH2 ARG 14 4.819 8.314 -2.380 572 H GLU 15 H GLU 15 -3.285 5.490 -4.205 573 HA GLU 15 HA GLU 15 -4.009 8.102 -3.153 574 1HB GLU 15 2HB GLU 15 -5.466 5.975 -4.743 575 2HB GLU 15 1HB GLU 15 -6.173 7.554 -4.386 576 1HG GLU 15 2HG GLU 15 -4.195 8.640 -5.463 577 2HG GLU 15 1HG GLU 15 -3.585 7.044 -5.894 578 H ILE 16 H ILE 16 -5.198 4.799 -2.449 579 HA ILE 16 HA ILE 16 -7.244 5.413 -0.519 580 HB ILE 16 HB ILE 16 -5.378 3.062 -1.001 581 1HG1 ILE 16 2HG1 ILE 16 -8.356 3.310 -1.566 582 2HG1 ILE 16 1HG1 ILE 16 -7.138 3.799 -2.736 583 1HG2 ILE 16 3HG2 ILE 16 -7.596 3.399 1.016 584 2HG2 ILE 16 2HG2 ILE 16 -7.341 1.817 0.276 585 3HG2 ILE 16 1HG2 ILE 16 -6.042 2.583 1.192 586 1HD1 ILE 16 2HD1 ILE 16 -6.187 1.368 -2.250 587 2HD1 ILE 16 1HD1 ILE 16 -7.853 1.062 -1.769 588 3HD1 ILE 16 3HD1 ILE 16 -7.498 1.617 -3.404 589 H VAL 17 H VAL 17 -3.770 4.895 -0.244 590 HA VAL 17 HA VAL 17 -3.679 4.932 2.664 591 HB VAL 17 HB VAL 17 -2.275 3.720 0.899 592 1HG1 VAL 17 1HG1 VAL 17 -1.139 6.439 0.664 593 2HG1 VAL 17 3HG1 VAL 17 -0.110 5.029 0.437 594 3HG1 VAL 17 2HG1 VAL 17 -1.532 5.256 -0.569 595 1HG2 VAL 17 1HG2 VAL 17 -1.046 5.107 3.230 596 2HG2 VAL 17 3HG2 VAL 17 -1.663 3.451 3.125 597 3HG2 VAL 17 2HG2 VAL 17 -0.183 3.908 2.270 598 H THR 18 H THR 18 -3.628 7.482 0.216 599 HA THR 18 HA THR 18 -2.651 9.386 2.331 600 HB THR 18 HB THR 18 -1.578 10.659 0.544 601 HG1 THR 18 HG1 THR 18 -2.561 10.403 -1.303 602 1HG2 THR 18 2HG2 THR 18 -0.748 8.250 1.526 603 2HG2 THR 18 1HG2 THR 18 -0.646 7.983 -0.210 604 3HG2 THR 18 3HG2 THR 18 0.239 9.317 0.524 605 H LEU 19 H LEU 19 -5.638 8.717 0.960 606 HA LEU 19 HA LEU 19 -6.245 11.339 -0.132 607 1HB LEU 19 2HB LEU 19 -8.636 10.695 0.219 608 2HB LEU 19 1HB LEU 19 -7.680 9.560 -0.709 609 HG LEU 19 HG LEU 19 -7.712 8.977 2.170 610 1HD1 LEU 19 3HD1 LEU 19 -10.212 9.110 0.485 611 2HD1 LEU 19 2HD1 LEU 19 -10.090 8.070 1.906 612 3HD1 LEU 19 1HD1 LEU 19 -9.932 9.817 2.073 613 1HD2 LEU 19 2HD2 LEU 19 -8.221 7.500 -0.429 614 2HD2 LEU 19 1HD2 LEU 19 -6.850 7.321 0.657 615 3HD2 LEU 19 3HD2 LEU 19 -8.437 6.729 1.142 616 HA PRO 20 HA PRO 20 -6.148 14.017 3.214 617 1HB PRO 20 2HB PRO 20 -8.011 15.886 2.486 618 2HB PRO 20 1HB PRO 20 -6.421 15.710 1.716 619 1HG PRO 20 2HG PRO 20 -9.082 14.713 0.813 620 2HG PRO 20 1HG PRO 20 -7.776 15.455 -0.128 621 1HD PRO 20 1HD PRO 20 -8.215 12.783 -0.089 622 2HD PRO 20 2HD PRO 20 -6.592 13.490 -0.285 623 H ASN 21 H ASN 21 -9.565 13.070 2.528 624 HA ASN 21 HA ASN 21 -10.339 13.959 5.253 625 1HB ASN 21 2HB ASN 21 -11.869 12.684 2.994 626 2HB ASN 21 1HB ASN 21 -12.593 13.236 4.485 627 1HD2 ASN 21 1HD2 ASN 21 -13.702 14.438 2.416 628 2HD2 ASN 21 2HD2 ASN 21 -13.107 16.011 2.164 629 H LEU 22 H LEU 22 -8.860 11.137 4.235 630 HA LEU 22 HA LEU 22 -10.532 9.324 5.893 631 1HB LEU 22 2HB LEU 22 -9.329 8.935 3.562 632 2HB LEU 22 1HB LEU 22 -7.983 8.529 4.603 633 HG LEU 22 HG LEU 22 -9.757 7.035 5.833 634 1HD1 LEU 22 2HD1 LEU 22 -11.548 8.006 4.174 635 2HD1 LEU 22 1HD1 LEU 22 -10.877 6.828 3.048 636 3HD1 LEU 22 3HD1 LEU 22 -11.585 6.288 4.570 637 1HD2 LEU 22 1HD2 LEU 22 -8.067 6.602 3.427 638 2HD2 LEU 22 3HD2 LEU 22 -8.058 5.769 4.987 639 3HD2 LEU 22 2HD2 LEU 22 -9.255 5.335 3.767 640 H ASN 23 H ASN 23 -9.597 8.117 7.570 641 HA ASN 23 HA ASN 23 -7.231 9.438 8.887 642 1HB ASN 23 2HB ASN 23 -8.158 8.575 11.004 643 2HB ASN 23 1HB ASN 23 -9.348 9.541 10.145 644 1HD2 ASN 23 1HD2 ASN 23 -10.886 8.243 11.622 645 2HD2 ASN 23 2HD2 ASN 23 -11.406 6.727 11.066 646 H ASP 24 H ASP 24 -5.811 7.862 10.192 647 HA ASP 24 HA ASP 24 -4.637 5.993 8.481 648 1HB ASP 24 2HB ASP 24 -3.268 5.342 10.395 649 2HB ASP 24 1HB ASP 24 -3.500 7.082 10.342 650 HA PRO 25 HA PRO 25 -6.766 2.295 10.739 651 1HB PRO 25 2HB PRO 25 -9.367 2.669 11.545 652 2HB PRO 25 1HB PRO 25 -7.967 2.856 12.621 653 1HG PRO 25 2HG PRO 25 -9.546 4.939 11.194 654 2HG PRO 25 1HG PRO 25 -8.909 4.942 12.846 655 1HD PRO 25 1HD PRO 25 -7.709 6.283 10.842 656 2HD PRO 25 2HD PRO 25 -6.806 5.559 12.180 657 H GLN 26 H GLN 26 -8.948 4.565 8.893 658 HA GLN 26 HA GLN 26 -10.451 2.532 7.523 659 1HB GLN 26 2HB GLN 26 -9.611 5.320 6.649 660 2HB GLN 26 1HB GLN 26 -10.893 4.375 5.897 661 1HG GLN 26 2HG GLN 26 -10.988 4.859 8.852 662 2HG GLN 26 1HG GLN 26 -11.450 6.160 7.765 663 1HE2 GLN 26 1HE2 GLN 26 -13.619 5.956 8.632 664 2HE2 GLN 26 2HE2 GLN 26 -14.656 4.720 8.100 665 H LYS 27 H LYS 27 -7.625 4.433 6.355 666 HA LYS 27 HA LYS 27 -7.144 2.939 3.979 667 1HB LYS 27 2HB LYS 27 -4.745 3.779 4.313 668 2HB LYS 27 1HB LYS 27 -6.007 4.977 4.115 669 1HG LYS 27 2HG LYS 27 -6.023 5.026 6.728 670 2HG LYS 27 1HG LYS 27 -4.466 4.222 6.584 671 1HD LYS 27 2HD LYS 27 -3.928 6.520 6.638 672 2HD LYS 27 1HD LYS 27 -3.849 6.086 4.932 673 1HE LYS 27 2HE LYS 27 -6.561 6.866 5.548 674 2HE LYS 27 1HE LYS 27 -5.461 8.128 6.120 675 1HZ LYS 27 2HZ LYS 27 -5.407 6.889 3.414 676 2HZ LYS 27 1HZ LYS 27 -6.016 8.432 3.777 677 3HZ LYS 27 3HZ LYS 27 -4.363 8.109 3.970 678 H LYS 28 H LYS 28 -6.110 2.325 7.299 679 HA LYS 28 HA LYS 28 -4.120 0.354 6.795 680 1HB LYS 28 2HB LYS 28 -5.648 1.394 9.013 681 2HB LYS 28 1HB LYS 28 -5.699 -0.365 9.108 682 1HG LYS 28 2HG LYS 28 -3.129 1.026 8.545 683 2HG LYS 28 1HG LYS 28 -3.695 0.910 10.198 684 1HD LYS 28 2HD LYS 28 -3.574 -1.430 10.198 685 2HD LYS 28 1HD LYS 28 -3.613 -1.523 8.436 686 1HE LYS 28 2HE LYS 28 -1.354 -0.999 8.210 687 2HE LYS 28 1HE LYS 28 -1.300 -0.113 9.744 688 1HZ LYS 28 3HZ LYS 28 -1.853 -3.030 9.633 689 2HZ LYS 28 2HZ LYS 28 -0.272 -2.421 9.737 690 3HZ LYS 28 1HZ LYS 28 -1.389 -2.099 10.974 691 H ALA 29 H ALA 29 -7.586 -0.251 7.658 692 HA ALA 29 HA ALA 29 -7.585 -3.037 6.896 693 1HB ALA 29 1HB ALA 29 -10.055 -2.727 7.019 694 2HB ALA 29 2HB ALA 29 -9.821 -0.979 7.062 695 3HB ALA 29 3HB ALA 29 -9.241 -1.979 8.394 696 H PHE 30 H PHE 30 -8.154 -0.029 5.119 697 HA PHE 30 HA PHE 30 -9.306 -1.072 2.707 698 1HB PHE 30 2HB PHE 30 -8.268 1.399 3.795 699 2HB PHE 30 1HB PHE 30 -7.644 1.188 2.174 700 HD1 PHE 30 HD1 PHE 30 -9.234 0.663 0.315 701 HD2 PHE 30 HD2 PHE 30 -10.499 2.065 4.165 702 HE1 PHE 30 HE1 PHE 30 -11.417 1.350 -0.635 703 HE2 PHE 30 HE2 PHE 30 -12.672 2.754 3.213 704 HZ PHE 30 HZ PHE 30 -13.129 2.402 0.814 705 H ILE 31 H ILE 31 -5.947 -0.077 3.366 706 HA ILE 31 HA ILE 31 -4.858 -1.014 0.919 707 HB ILE 31 HB ILE 31 -3.798 -0.433 3.696 708 1HG1 ILE 31 2HG1 ILE 31 -3.924 1.044 1.098 709 2HG1 ILE 31 1HG1 ILE 31 -4.016 1.663 2.761 710 1HG2 ILE 31 1HG2 ILE 31 -2.482 -2.293 2.308 711 2HG2 ILE 31 3HG2 ILE 31 -1.829 -0.872 1.475 712 3HG2 ILE 31 2HG2 ILE 31 -1.642 -1.055 3.227 713 1HD1 ILE 31 2HD1 ILE 31 -1.480 0.582 1.583 714 2HD1 ILE 31 1HD1 ILE 31 -1.944 2.254 1.416 715 3HD1 ILE 31 3HD1 ILE 31 -1.686 1.589 3.028 716 H PHE 32 H PHE 32 -5.184 -2.550 4.156 717 HA PHE 32 HA PHE 32 -3.823 -4.984 3.521 718 1HB PHE 32 2HB PHE 32 -5.737 -4.035 5.639 719 2HB PHE 32 1HB PHE 32 -5.394 -5.762 5.535 720 HD1 PHE 32 HD1 PHE 32 -3.569 -6.573 6.907 721 HD2 PHE 32 HD2 PHE 32 -3.392 -2.492 5.333 722 HE1 PHE 32 HE1 PHE 32 -1.419 -6.180 7.980 723 HE2 PHE 32 HE2 PHE 32 -1.254 -2.210 6.475 724 HZ PHE 32 HZ PHE 32 -0.259 -4.068 7.733 725 H SER 33 H SER 33 -7.263 -3.986 2.989 726 HA SER 33 HA SER 33 -7.999 -6.685 2.013 727 1HB SER 33 2HB SER 33 -10.125 -5.556 1.427 728 2HB SER 33 1HB SER 33 -9.647 -5.172 3.072 729 HG SER 33 HG SER 33 -9.498 -3.162 2.513 730 H LEU 34 H LEU 34 -6.820 -3.629 0.682 731 HA LEU 34 HA LEU 34 -7.192 -4.126 -2.142 732 1HB LEU 34 2HB LEU 34 -6.835 -1.913 -1.401 733 2HB LEU 34 1HB LEU 34 -5.504 -2.355 -0.361 734 HG LEU 34 HG LEU 34 -4.295 -2.894 -2.600 735 1HD1 LEU 34 1HD1 LEU 34 -6.827 -1.658 -3.497 736 2HD1 LEU 34 3HD1 LEU 34 -5.383 -0.908 -4.180 737 3HD1 LEU 34 2HD1 LEU 34 -5.670 -2.637 -4.405 738 1HD2 LEU 34 2HD2 LEU 34 -3.807 -0.994 -1.000 739 2HD2 LEU 34 1HD2 LEU 34 -3.502 -0.595 -2.693 740 3HD2 LEU 34 3HD2 LEU 34 -4.966 -0.019 -1.906 741 H TRP 35 H TRP 35 -4.545 -4.819 0.146 742 HA TRP 35 HA TRP 35 -2.677 -5.918 -1.775 743 1HB TRP 35 2HB TRP 35 -2.132 -5.039 0.488 744 2HB TRP 35 1HB TRP 35 -2.971 -6.418 1.201 745 HD1 TRP 35 HD1 TRP 35 -1.588 -8.577 1.473 746 HE1 TRP 35 HE1 TRP 35 0.650 -9.419 0.579 747 HE3 TRP 35 HE3 TRP 35 -0.476 -4.805 -1.733 748 HZ2 TRP 35 HZ2 TRP 35 2.694 -8.571 -1.239 749 HZ3 TRP 35 HZ3 TRP 35 1.620 -4.848 -3.034 750 HH2 TRP 35 HH2 TRP 35 3.195 -6.707 -2.785 751 H ASP 36 H ASP 36 -5.026 -7.407 0.500 752 HA ASP 36 HA ASP 36 -4.432 -10.146 -0.146 753 1HB ASP 36 2HB ASP 36 -5.595 -9.059 1.913 754 2HB ASP 36 1HB ASP 36 -7.055 -9.090 0.928 755 H ASP 37 H ASP 37 -6.977 -7.873 -1.256 756 HA ASP 37 HA ASP 37 -7.474 -9.735 -3.516 757 1HB ASP 37 2HB ASP 37 -9.641 -8.129 -2.132 758 2HB ASP 37 1HB ASP 37 -9.845 -9.459 -3.262 759 HA PRO 38 HA PRO 38 -6.561 -5.438 -5.060 760 1HB PRO 38 2HB PRO 38 -4.936 -6.221 -7.093 761 2HB PRO 38 1HB PRO 38 -4.361 -5.875 -5.454 762 1HG PRO 38 2HG PRO 38 -4.994 -8.519 -6.704 763 2HG PRO 38 1HG PRO 38 -3.607 -8.061 -5.706 764 1HD PRO 38 1HD PRO 38 -5.678 -9.416 -4.676 765 2HD PRO 38 2HD PRO 38 -4.806 -8.179 -3.735 766 H SER 39 H SER 39 -8.166 -8.261 -6.172 767 HA SER 39 HA SER 39 -8.817 -7.572 -8.895 768 1HB SER 39 2HB SER 39 -9.362 -9.624 -7.145 769 2HB SER 39 1HB SER 39 -10.910 -8.794 -7.178 770 HG SER 39 HG SER 39 -11.141 -9.262 -9.255 771 H GLN 40 H GLN 40 -10.037 -6.616 -5.705 772 HA GLN 40 HA GLN 40 -12.106 -4.779 -6.807 773 1HB GLN 40 2HB GLN 40 -11.279 -4.994 -3.912 774 2HB GLN 40 1HB GLN 40 -12.867 -4.631 -4.567 775 1HG GLN 40 2HG GLN 40 -11.482 -7.320 -4.470 776 2HG GLN 40 1HG GLN 40 -12.916 -6.831 -3.582 777 1HE2 GLN 40 1HE2 GLN 40 -12.375 -8.982 -5.771 778 2HE2 GLN 40 2HE2 GLN 40 -13.631 -8.731 -6.887 779 H SER 41 H SER 41 -8.856 -4.484 -6.749 780 HA SER 41 HA SER 41 -8.059 -2.341 -5.123 781 1HB SER 41 2HB SER 41 -6.613 -3.755 -6.438 782 2HB SER 41 1HB SER 41 -7.265 -3.090 -7.928 783 HG SER 41 HG SER 41 -5.942 -1.476 -7.712 784 H ALA 42 H ALA 42 -9.490 -2.167 -8.432 785 HA ALA 42 HA ALA 42 -9.394 0.706 -8.694 786 1HB ALA 42 2HB ALA 42 -11.304 -1.368 -9.848 787 2HB ALA 42 1HB ALA 42 -11.110 0.275 -10.459 788 3HB ALA 42 3HB ALA 42 -9.773 -0.871 -10.567 789 H ASN 43 H ASN 43 -11.899 -1.546 -7.490 790 HA ASN 43 HA ASN 43 -13.856 0.413 -6.764 791 1HB ASN 43 2HB ASN 43 -14.211 -2.055 -7.107 792 2HB ASN 43 1HB ASN 43 -13.342 -2.346 -5.602 793 1HD2 ASN 43 1HD2 ASN 43 -16.250 -0.643 -6.892 794 2HD2 ASN 43 2HD2 ASN 43 -17.121 -0.725 -5.435 795 H LEU 44 H LEU 44 -11.028 -0.972 -5.059 796 HA LEU 44 HA LEU 44 -11.634 0.006 -2.413 797 1HB LEU 44 2HB LEU 44 -9.312 -1.055 -3.945 798 2HB LEU 44 1HB LEU 44 -8.945 -0.186 -2.459 799 HG LEU 44 HG LEU 44 -11.166 -2.136 -2.283 800 1HD1 LEU 44 3HD1 LEU 44 -8.561 -2.882 -3.353 801 2HD1 LEU 44 2HD1 LEU 44 -8.881 -3.685 -1.811 802 3HD1 LEU 44 1HD1 LEU 44 -10.013 -3.871 -3.149 803 1HD2 LEU 44 2HD2 LEU 44 -8.787 -1.258 -0.612 804 2HD2 LEU 44 1HD2 LEU 44 -10.508 -0.954 -0.321 805 3HD2 LEU 44 3HD2 LEU 44 -9.855 -2.585 -0.131 806 H LEU 45 H LEU 45 -9.557 1.265 -4.946 807 HA LEU 45 HA LEU 45 -8.685 3.691 -3.798 808 1HB LEU 45 2HB LEU 45 -7.763 2.851 -5.862 809 2HB LEU 45 1HB LEU 45 -9.344 2.837 -6.636 810 HG LEU 45 HG LEU 45 -9.425 5.222 -6.727 811 1HD1 LEU 45 2HD1 LEU 45 -7.252 5.004 -4.687 812 2HD1 LEU 45 1HD1 LEU 45 -7.229 6.398 -5.774 813 3HD1 LEU 45 3HD1 LEU 45 -8.637 6.101 -4.755 814 1HD2 LEU 45 3HD2 LEU 45 -7.910 4.012 -8.357 815 2HD2 LEU 45 2HD2 LEU 45 -7.533 5.718 -8.123 816 3HD2 LEU 45 1HD2 LEU 45 -6.552 4.483 -7.336 817 H ALA 46 H ALA 46 -11.599 3.017 -5.747 818 HA ALA 46 HA ALA 46 -12.746 5.660 -5.626 819 1HB ALA 46 2HB ALA 46 -14.843 4.191 -6.121 820 2HB ALA 46 1HB ALA 46 -13.513 4.136 -7.280 821 3HB ALA 46 3HB ALA 46 -13.707 2.839 -6.098 822 H GLU 47 H GLU 47 -13.280 2.685 -3.696 823 HA GLU 47 HA GLU 47 -15.245 3.631 -1.895 824 1HB GLU 47 2HB GLU 47 -14.247 1.262 -2.357 825 2HB GLU 47 1HB GLU 47 -13.037 1.698 -1.152 826 1HG GLU 47 2HG GLU 47 -14.846 0.523 -0.027 827 2HG GLU 47 1HG GLU 47 -14.927 2.220 0.440 828 H ALA 48 H ALA 48 -11.721 3.932 -1.855 829 HA ALA 48 HA ALA 48 -11.412 4.998 0.810 830 1HB ALA 48 1HB ALA 48 -9.349 4.383 0.021 831 2HB ALA 48 2HB ALA 48 -9.298 5.984 -0.718 832 3HB ALA 48 3HB ALA 48 -9.835 4.575 -1.667 833 H LYS 49 H LYS 49 -11.586 6.565 -2.424 834 HA LYS 49 HA LYS 49 -11.568 9.301 -1.520 835 1HB LYS 49 2HB LYS 49 -12.748 7.958 -3.982 836 2HB LYS 49 1HB LYS 49 -12.543 9.699 -3.808 837 1HG LYS 49 2HG LYS 49 -10.097 9.368 -3.524 838 2HG LYS 49 1HG LYS 49 -10.318 7.635 -3.763 839 1HD LYS 49 2HD LYS 49 -11.411 8.191 -5.991 840 2HD LYS 49 1HD LYS 49 -10.860 9.851 -5.754 841 1HE LYS 49 2HE LYS 49 -8.512 8.641 -5.321 842 2HE LYS 49 1HE LYS 49 -9.255 7.388 -6.336 843 1HZ LYS 49 1HZ LYS 49 -9.807 9.081 -7.976 844 2HZ LYS 49 3HZ LYS 49 -9.096 10.285 -7.012 845 3HZ LYS 49 2HZ LYS 49 -8.134 9.060 -7.690 846 H LYS 50 H LYS 50 -14.289 7.083 -2.298 847 HA LYS 50 HA LYS 50 -16.413 8.957 -1.758 848 1HB LYS 50 2HB LYS 50 -16.275 5.919 -1.729 849 2HB LYS 50 1HB LYS 50 -17.780 6.839 -1.685 850 1HG LYS 50 2HG LYS 50 -17.159 7.930 -3.831 851 2HG LYS 50 1HG LYS 50 -15.694 6.963 -3.892 852 1HD LYS 50 2HD LYS 50 -18.527 5.876 -3.907 853 2HD LYS 50 1HD LYS 50 -17.455 5.987 -5.301 854 1HE LYS 50 2HE LYS 50 -16.557 3.980 -4.784 855 2HE LYS 50 1HE LYS 50 -16.053 4.606 -3.208 856 1HZ LYS 50 3HZ LYS 50 -18.820 3.701 -3.809 857 2HZ LYS 50 2HZ LYS 50 -17.645 2.718 -3.076 858 3HZ LYS 50 1HZ LYS 50 -18.186 4.125 -2.292 859 H LEU 51 H LEU 51 -14.742 6.562 0.321 860 HA LEU 51 HA LEU 51 -16.410 6.901 2.653 861 1HB LEU 51 2HB LEU 51 -14.804 5.016 2.113 862 2HB LEU 51 1HB LEU 51 -13.473 6.098 2.518 863 HG LEU 51 HG LEU 51 -15.763 5.560 4.420 864 1HD1 LEU 51 3HD1 LEU 51 -14.482 3.461 3.680 865 2HD1 LEU 51 2HD1 LEU 51 -13.113 4.150 4.558 866 3HD1 LEU 51 1HD1 LEU 51 -14.608 3.768 5.412 867 1HD2 LEU 51 1HD2 LEU 51 -13.371 7.183 4.480 868 2HD2 LEU 51 3HD2 LEU 51 -14.718 7.145 5.612 869 3HD2 LEU 51 2HD2 LEU 51 -13.370 6.022 5.805 870 H ASN 52 H ASN 52 -13.440 8.583 1.543 871 HA ASN 52 HA ASN 52 -12.797 10.071 3.863 872 1HB ASN 52 2HB ASN 52 -11.277 10.938 2.416 873 2HB ASN 52 1HB ASN 52 -11.934 9.812 1.254 874 1HD2 ASN 52 1HD2 ASN 52 -10.676 12.568 0.910 875 2HD2 ASN 52 2HD2 ASN 52 -11.816 13.460 0.029 876 H ASP 53 H ASP 53 -15.380 10.622 1.473 877 HA ASP 53 HA ASP 53 -16.122 13.273 2.258 878 1HB ASP 53 2HB ASP 53 -16.729 11.930 0.166 879 2HB ASP 53 1HB ASP 53 -17.923 11.095 1.157 880 H ALA 54 H ALA 54 -16.950 10.064 3.570 881 HA ALA 54 HA ALA 54 -19.254 10.866 5.130 882 1HB ALA 54 3HB ALA 54 -18.299 8.554 4.335 883 2HB ALA 54 1HB ALA 54 -19.139 8.646 5.884 884 3HB ALA 54 2HB ALA 54 -17.376 8.623 5.836 885 H GLN 55 H GLN 55 -15.763 10.690 5.839 886 HA GLN 55 HA GLN 55 -16.089 11.481 8.657 887 1HB GLN 55 2HB GLN 55 -13.799 10.934 6.758 888 2HB GLN 55 1HB GLN 55 -13.519 11.444 8.413 889 1HG GLN 55 2HG GLN 55 -14.617 9.510 9.308 890 2HG GLN 55 1HG GLN 55 -15.260 9.070 7.726 891 1HE2 GLN 55 1HE2 GLN 55 -13.051 9.252 6.066 892 2HE2 GLN 55 2HE2 GLN 55 -11.847 8.168 6.580 893 H ALA 56 H ALA 56 -15.132 12.999 5.576 894 HA ALA 56 HA ALA 56 -15.381 15.698 6.828 895 1HB ALA 56 1HB ALA 56 -12.983 14.284 5.943 896 2HB ALA 56 2HB ALA 56 -13.115 15.758 6.906 897 3HB ALA 56 3HB ALA 56 -13.165 15.846 5.145 898 HA PRO 57 HA PRO 57 -17.332 16.506 2.912 899 1HB PRO 57 2HB PRO 57 -17.096 19.226 2.772 900 2HB PRO 57 1HB PRO 57 -18.228 18.411 3.870 901 1HG PRO 57 2HG PRO 57 -15.582 19.628 4.438 902 2HG PRO 57 1HG PRO 57 -17.049 19.604 5.428 903 1HD PRO 57 1HD PRO 57 -14.877 17.970 5.833 904 2HD PRO 57 2HD PRO 57 -16.530 17.586 6.361 905 H LYS 58 H LYS 58 -16.725 16.763 0.731 906 HA LYS 58 HA LYS 58 -13.856 16.839 0.118 907 1HB LYS 58 2HB LYS 58 -16.419 16.534 -1.459 908 2HB LYS 58 1HB LYS 58 -14.859 16.667 -2.272 909 1HG LYS 58 2HG LYS 58 -14.027 14.728 -0.963 910 2HG LYS 58 1HG LYS 58 -15.615 14.575 -0.210 911 1HD LYS 58 2HD LYS 58 -16.644 14.217 -2.420 912 2HD LYS 58 1HD LYS 58 -15.067 14.391 -3.190 913 1HE LYS 58 2HE LYS 58 -15.398 12.335 -1.015 914 2HE LYS 58 1HE LYS 58 -15.988 11.972 -2.646 915 1HZ LYS 58 2HZ LYS 58 -13.815 12.611 -3.532 916 2HZ LYS 58 1HZ LYS 58 -13.247 12.919 -1.959 917 3HZ LYS 58 3HZ LYS 58 -13.661 11.342 -2.414 No H/Q in entry = 917 Start of MODEL 24 1 H1 VAL 1 2H VAL 1 -0.452 -19.209 1.811 2 H2 VAL 1 1H VAL 1 0.917 -18.491 1.107 3 H3 VAL 1 3H VAL 1 0.036 -19.663 0.251 4 HA VAL 1 HA VAL 1 0.747 -21.413 1.668 5 HB VAL 1 HB VAL 1 2.947 -19.434 0.946 6 1HG1 VAL 1 2HG1 VAL 1 3.126 -22.331 1.818 7 2HG1 VAL 1 1HG1 VAL 1 4.415 -21.516 0.935 8 3HG1 VAL 1 3HG1 VAL 1 3.941 -20.939 2.532 9 1HG2 VAL 1 1HG2 VAL 1 1.682 -21.808 -0.450 10 2HG2 VAL 1 3HG2 VAL 1 1.760 -20.138 -1.012 11 3HG2 VAL 1 2HG2 VAL 1 3.224 -21.120 -0.962 12 H ASP 2 H ASP 2 2.371 -18.418 2.878 13 HA ASP 2 HA ASP 2 2.391 -19.584 5.629 14 1HB ASP 2 2HB ASP 2 4.211 -18.140 4.008 15 2HB ASP 2 1HB ASP 2 3.723 -17.029 5.284 16 H ASN 3 H ASN 3 0.722 -18.965 6.935 17 HA ASN 3 HA ASN 3 -1.163 -16.901 6.344 18 1HB ASN 3 2HB ASN 3 -2.074 -17.429 8.525 19 2HB ASN 3 1HB ASN 3 -1.488 -18.925 7.809 20 1HD2 ASN 3 1HD2 ASN 3 0.384 -19.966 8.820 21 2HD2 ASN 3 2HD2 ASN 3 0.993 -19.443 10.314 22 H LYS 4 H LYS 4 1.782 -16.808 8.388 23 HA LYS 4 HA LYS 4 1.279 -14.179 9.492 24 1HB LYS 4 2HB LYS 4 3.580 -14.345 10.275 25 2HB LYS 4 1HB LYS 4 2.808 -15.915 10.454 26 1HG LYS 4 2HG LYS 4 3.856 -16.619 8.285 27 2HG LYS 4 1HG LYS 4 4.711 -15.080 8.239 28 1HD LYS 4 2HD LYS 4 4.980 -16.530 10.796 29 2HD LYS 4 1HD LYS 4 5.678 -17.368 9.412 30 1HE LYS 4 2HE LYS 4 7.495 -16.035 9.918 31 2HE LYS 4 1HE LYS 4 6.609 -14.860 8.931 32 1HZ LYS 4 1HZ LYS 4 6.259 -15.174 11.871 33 2HZ LYS 4 3HZ LYS 4 7.232 -13.988 11.148 34 3HZ LYS 4 2HZ LYS 4 5.557 -13.982 10.879 35 H PHE 5 H PHE 5 3.022 -15.290 6.570 36 HA PHE 5 HA PHE 5 4.213 -12.810 5.859 37 1HB PHE 5 2HB PHE 5 3.350 -15.231 4.271 38 2HB PHE 5 1HB PHE 5 4.201 -13.881 3.532 39 HD1 PHE 5 HD1 PHE 5 5.472 -16.414 3.286 40 HD2 PHE 5 HD2 PHE 5 5.589 -13.744 6.655 41 HE1 PHE 5 HE1 PHE 5 7.620 -17.408 4.012 42 HE2 PHE 5 HE2 PHE 5 7.735 -14.740 7.366 43 HZ PHE 5 HZ PHE 5 8.744 -16.574 6.055 44 H ASN 6 H ASN 6 0.900 -14.015 5.321 45 HA ASN 6 HA ASN 6 0.059 -12.250 3.258 46 1HB ASN 6 2HB ASN 6 -1.377 -13.407 5.671 47 2HB ASN 6 1HB ASN 6 -2.215 -12.547 4.383 48 1HD2 ASN 6 1HD2 ASN 6 -1.452 -13.477 2.037 49 2HD2 ASN 6 2HD2 ASN 6 -1.448 -15.170 1.939 50 H LYS 7 H LYS 7 -0.410 -11.707 6.807 51 HA LYS 7 HA LYS 7 -1.112 -8.920 6.554 52 1HB LYS 7 2HB LYS 7 -1.749 -10.256 8.436 53 2HB LYS 7 1HB LYS 7 -0.058 -10.558 8.868 54 1HG LYS 7 2HG LYS 7 -0.691 -8.837 10.333 55 2HG LYS 7 1HG LYS 7 0.040 -7.935 9.002 56 1HD LYS 7 2HD LYS 7 -2.064 -7.477 8.027 57 2HD LYS 7 1HD LYS 7 -2.889 -8.592 9.108 58 1HE LYS 7 2HE LYS 7 -2.030 -7.094 11.041 59 2HE LYS 7 1HE LYS 7 -1.696 -5.890 9.784 60 1HZ LYS 7 3HZ LYS 7 -3.998 -6.134 9.015 61 2HZ LYS 7 2HZ LYS 7 -4.310 -7.228 10.278 62 3HZ LYS 7 1HZ LYS 7 -3.937 -5.608 10.625 63 H GLU 8 H GLU 8 1.982 -10.556 6.982 64 HA GLU 8 HA GLU 8 3.652 -8.316 7.648 65 1HB GLU 8 2HB GLU 8 3.943 -11.078 6.560 66 2HB GLU 8 1HB GLU 8 5.271 -9.980 6.198 67 1HG GLU 8 2HG GLU 8 5.704 -9.567 8.490 68 2HG GLU 8 1HG GLU 8 4.173 -10.310 8.993 69 H GLN 9 H GLN 9 2.669 -9.755 4.543 70 HA GLN 9 HA GLN 9 4.120 -7.995 2.856 71 1HB GLN 9 2HB GLN 9 1.677 -9.722 2.473 72 2HB GLN 9 1HB GLN 9 2.414 -8.807 1.163 73 1HG GLN 9 2HG GLN 9 4.479 -10.020 1.366 74 2HG GLN 9 1HG GLN 9 3.917 -10.839 2.823 75 1HE2 GLN 9 1HE2 GLN 9 3.559 -10.709 -0.710 76 2HE2 GLN 9 2HE2 GLN 9 2.649 -12.135 -0.840 77 H GLN 10 H GLN 10 0.698 -7.947 4.007 78 HA GLN 10 HA GLN 10 0.120 -5.386 2.736 79 1HB GLN 10 2HB GLN 10 -1.635 -5.350 4.758 80 2HB GLN 10 1HB GLN 10 -1.937 -6.087 3.229 81 1HG GLN 10 2HG GLN 10 -0.669 -7.992 4.988 82 2HG GLN 10 1HG GLN 10 -2.036 -7.276 5.777 83 1HE2 GLN 10 1HE2 GLN 10 -2.655 -9.772 5.421 84 2HE2 GLN 10 2HE2 GLN 10 -3.566 -10.070 4.025 85 H ASN 11 H ASN 11 1.484 -6.272 5.875 86 HA ASN 11 HA ASN 11 1.378 -3.637 7.046 87 1HB ASN 11 2HB ASN 11 2.801 -6.225 7.458 88 2HB ASN 11 1HB ASN 11 3.675 -4.816 8.046 89 1HD2 ASN 11 1HD2 ASN 11 3.134 -4.179 10.134 90 2HD2 ASN 11 2HD2 ASN 11 1.678 -4.556 10.917 91 H ALA 12 H ALA 12 3.835 -5.382 5.133 92 HA ALA 12 HA ALA 12 5.738 -3.211 4.903 93 1HB ALA 12 1HB ALA 12 5.207 -5.905 3.683 94 2HB ALA 12 2HB ALA 12 6.658 -5.309 4.508 95 3HB ALA 12 3HB ALA 12 6.322 -4.809 2.847 96 H PHE 13 H PHE 13 3.171 -4.503 2.793 97 HA PHE 13 HA PHE 13 3.451 -2.847 0.495 98 1HB PHE 13 2HB PHE 13 1.966 -4.808 0.530 99 2HB PHE 13 1HB PHE 13 1.071 -4.158 1.892 100 HD1 PHE 13 HD1 PHE 13 -1.103 -3.662 1.219 101 HD2 PHE 13 HD2 PHE 13 2.185 -2.625 -1.326 102 HE1 PHE 13 HE1 PHE 13 -2.668 -2.650 -0.389 103 HE2 PHE 13 HE2 PHE 13 0.619 -1.611 -2.924 104 HZ PHE 13 HZ PHE 13 -1.807 -1.630 -2.452 105 H TYR 14 H TYR 14 1.278 -2.511 3.274 106 HA TYR 14 HA TYR 14 0.185 0.033 2.846 107 1HB TYR 14 2HB TYR 14 -0.437 -1.656 4.530 108 2HB TYR 14 1HB TYR 14 1.041 -1.300 5.421 109 HD1 TYR 14 HD1 TYR 14 1.226 0.639 6.800 110 HD2 TYR 14 HD2 TYR 14 -2.152 0.133 4.195 111 HE1 TYR 14 HE1 TYR 14 0.065 2.507 7.922 112 HE2 TYR 14 HE2 TYR 14 -3.296 1.899 5.311 113 HH TYR 14 HH TYR 14 -1.762 4.144 7.372 114 H GLU 15 H GLU 15 3.072 -0.806 4.856 115 HA GLU 15 HA GLU 15 3.853 1.857 5.488 116 1HB GLU 15 2HB GLU 15 5.329 -0.767 5.218 117 2HB GLU 15 1HB GLU 15 6.133 0.710 5.744 118 1HG GLU 15 2HG GLU 15 3.583 -0.131 7.090 119 2HG GLU 15 1HG GLU 15 5.098 -0.902 7.547 120 H ILE 16 H ILE 16 4.817 -0.226 2.687 121 HA ILE 16 HA ILE 16 6.637 1.609 1.448 122 HB ILE 16 HB ILE 16 4.867 -0.666 0.626 123 1HG1 ILE 16 2HG1 ILE 16 7.710 -0.369 -0.166 124 2HG1 ILE 16 1HG1 ILE 16 7.387 -0.461 1.560 125 1HG2 ILE 16 2HG2 ILE 16 6.101 1.280 -1.319 126 2HG2 ILE 16 1HG2 ILE 16 5.896 -0.421 -1.744 127 3HG2 ILE 16 3HG2 ILE 16 4.489 0.564 -1.349 128 1HD1 ILE 16 2HD1 ILE 16 5.769 -2.451 0.544 129 2HD1 ILE 16 1HD1 ILE 16 7.213 -2.552 -0.476 130 3HD1 ILE 16 3HD1 ILE 16 7.374 -2.689 1.276 131 H LEU 17 H LEU 17 3.085 1.323 1.105 132 HA LEU 17 HA LEU 17 2.751 3.587 -0.692 133 1HB LEU 17 2HB LEU 17 0.822 2.263 1.245 134 2HB LEU 17 1HB LEU 17 0.359 3.357 -0.055 135 HG LEU 17 HG LEU 17 2.051 1.185 -1.000 136 1HD1 LEU 17 1HD1 LEU 17 0.196 0.423 0.939 137 2HD1 LEU 17 3HD1 LEU 17 -0.590 0.091 -0.610 138 3HD1 LEU 17 2HD1 LEU 17 0.979 -0.615 -0.249 139 1HD2 LEU 17 3HD2 LEU 17 0.451 2.813 -2.263 140 2HD2 LEU 17 2HD2 LEU 17 0.553 1.107 -2.755 141 3HD2 LEU 17 1HD2 LEU 17 -0.797 1.648 -1.740 142 H HIS 18 H HIS 18 2.696 3.268 2.860 143 HA HIS 18 HA HIS 18 1.923 6.091 3.263 144 1HB HIS 18 2HB HIS 18 2.485 3.712 5.057 145 2HB HIS 18 1HB HIS 18 2.153 5.314 5.710 146 HD1 HIS 18 HD1 HIS 18 -0.299 6.187 5.561 147 HD2 HIS 18 HD2 HIS 18 0.182 2.440 3.831 148 HE1 HIS 18 HE1 HIS 18 -2.610 5.224 5.039 149 H LEU 19 H LEU 19 4.948 4.595 2.651 150 HA LEU 19 HA LEU 19 6.635 5.948 4.578 151 1HB LEU 19 2HB LEU 19 6.985 4.555 1.934 152 2HB LEU 19 1HB LEU 19 8.309 5.558 2.510 153 HG LEU 19 HG LEU 19 7.053 3.309 4.122 154 1HD1 LEU 19 3HD1 LEU 19 9.553 3.407 2.412 155 2HD1 LEU 19 2HD1 LEU 19 9.247 2.142 3.598 156 3HD1 LEU 19 1HD1 LEU 19 8.176 2.327 2.216 157 1HD2 LEU 19 2HD2 LEU 19 8.328 5.319 5.253 158 2HD2 LEU 19 1HD2 LEU 19 8.718 3.669 5.745 159 3HD2 LEU 19 3HD2 LEU 19 9.761 4.526 4.610 160 HA PRO 20 HA PRO 20 5.988 10.045 2.931 161 1HB PRO 20 2HB PRO 20 7.997 11.312 4.310 162 2HB PRO 20 1HB PRO 20 6.427 10.875 5.014 163 1HG PRO 20 2HG PRO 20 9.036 9.435 5.178 164 2HG PRO 20 1HG PRO 20 7.851 9.762 6.455 165 1HD PRO 20 1HD PRO 20 7.996 7.364 5.270 166 2HD PRO 20 2HD PRO 20 6.437 8.061 5.769 167 H ASN 21 H ASN 21 8.969 8.226 2.354 168 HA ASN 21 HA ASN 21 9.730 10.322 0.344 169 1HB ASN 21 2HB ASN 21 11.365 8.573 2.163 170 2HB ASN 21 1HB ASN 21 12.082 9.361 0.759 171 1HD2 ASN 21 1HD2 ASN 21 11.499 9.817 4.052 172 2HD2 ASN 21 2HD2 ASN 21 11.569 11.513 4.089 173 H LEU 22 H LEU 22 8.250 7.376 0.352 174 HA LEU 22 HA LEU 22 9.854 6.138 -1.812 175 1HB LEU 22 2HB LEU 22 7.385 5.412 -0.236 176 2HB LEU 22 1HB LEU 22 7.672 4.614 -1.775 177 HG LEU 22 HG LEU 22 9.123 4.326 0.817 178 1HD1 LEU 22 3HD1 LEU 22 8.344 2.587 -1.521 179 2HD1 LEU 22 2HD1 LEU 22 9.445 2.002 -0.267 180 3HD1 LEU 22 1HD1 LEU 22 7.798 2.483 0.153 181 1HD2 LEU 22 3HD2 LEU 22 10.518 4.203 -1.877 182 2HD2 LEU 22 2HD2 LEU 22 10.981 5.172 -0.458 183 3HD2 LEU 22 1HD2 LEU 22 11.133 3.405 -0.422 184 H ASN 23 H ASN 23 9.338 6.307 -3.958 185 HA ASN 23 HA ASN 23 7.070 8.140 -4.666 186 1HB ASN 23 2HB ASN 23 8.434 8.429 -6.814 187 2HB ASN 23 1HB ASN 23 9.138 9.083 -5.352 188 1HD2 ASN 23 1HD2 ASN 23 11.203 8.258 -4.706 189 2HD2 ASN 23 2HD2 ASN 23 12.001 7.006 -5.527 190 H GLU 24 H GLU 24 6.556 7.661 -7.202 191 HA GLU 24 HA GLU 24 4.990 5.277 -7.255 192 1HB GLU 24 2HB GLU 24 4.585 7.313 -8.614 193 2HB GLU 24 1HB GLU 24 6.047 6.986 -9.539 194 1HG GLU 24 2HG GLU 24 4.100 6.190 -10.791 195 2HG GLU 24 1HG GLU 24 5.070 4.815 -10.281 196 H GLU 25 H GLU 25 8.264 5.928 -8.559 197 HA GLU 25 HA GLU 25 8.530 3.360 -9.877 198 1HB GLU 25 2HB GLU 25 9.867 5.399 -10.374 199 2HB GLU 25 1HB GLU 25 10.632 5.269 -8.793 200 1HG GLU 25 2HG GLU 25 12.088 4.292 -10.516 201 2HG GLU 25 1HG GLU 25 11.526 3.038 -9.416 202 H GLN 26 H GLN 26 9.608 4.538 -6.642 203 HA GLN 26 HA GLN 26 10.769 1.979 -5.869 204 1HB GLN 26 2HB GLN 26 9.979 4.448 -4.310 205 2HB GLN 26 1HB GLN 26 10.882 3.099 -3.628 206 1HG GLN 26 2HG GLN 26 11.757 4.875 -5.930 207 2HG GLN 26 1HG GLN 26 12.444 4.846 -4.313 208 1HE2 GLN 26 1HE2 GLN 26 13.608 4.131 -7.106 209 2HE2 GLN 26 2HE2 GLN 26 14.308 2.606 -6.860 210 H ARG 27 H ARG 27 7.821 3.674 -4.685 211 HA ARG 27 HA ARG 27 6.860 1.643 -2.966 212 1HB ARG 27 2HB ARG 27 5.980 3.901 -3.026 213 2HB ARG 27 1HB ARG 27 5.463 3.728 -4.698 214 1HG ARG 27 2HG ARG 27 3.769 2.109 -4.064 215 2HG ARG 27 1HG ARG 27 4.348 2.098 -2.400 216 1HD ARG 27 2HD ARG 27 2.346 3.531 -2.609 217 2HD ARG 27 1HD ARG 27 3.756 4.517 -2.202 218 HE ARG 27 HE ARG 27 2.485 4.325 -4.893 219 1HH1 ARG 27 1HH1 ARG 27 4.890 5.806 -2.789 220 2HH1 ARG 27 2HH1 ARG 27 5.236 7.065 -3.912 221 1HH2 ARG 27 1HH2 ARG 27 2.986 5.984 -6.320 222 2HH2 ARG 27 2HH2 ARG 27 4.171 7.171 -5.893 223 H ASN 28 H ASN 28 5.986 2.088 -6.500 224 HA ASN 28 HA ASN 28 4.207 -0.200 -6.636 225 1HB ASN 28 2HB ASN 28 3.853 1.239 -8.401 226 2HB ASN 28 1HB ASN 28 5.527 1.698 -8.455 227 1HD2 ASN 28 1HD2 ASN 28 6.084 1.328 -10.642 228 2HD2 ASN 28 2HD2 ASN 28 5.872 -0.159 -11.426 229 H ALA 29 H ALA 29 7.589 0.216 -7.748 230 HA ALA 29 HA ALA 29 8.062 -2.446 -8.626 231 1HB ALA 29 3HB ALA 29 9.394 -0.283 -8.823 232 2HB ALA 29 1HB ALA 29 10.336 -1.753 -8.548 233 3HB ALA 29 2HB ALA 29 10.016 -0.644 -7.211 234 H PHE 30 H PHE 30 8.098 -1.013 -5.403 235 HA PHE 30 HA PHE 30 9.203 -3.243 -3.925 236 1HB PHE 30 2HB PHE 30 7.704 -0.705 -3.461 237 2HB PHE 30 1HB PHE 30 7.620 -1.915 -2.183 238 HD1 PHE 30 HD1 PHE 30 10.417 -0.995 -4.568 239 HD2 PHE 30 HD2 PHE 30 9.033 -1.367 -0.541 240 HE1 PHE 30 HE1 PHE 30 12.696 -0.456 -3.724 241 HE2 PHE 30 HE2 PHE 30 11.239 -0.821 0.251 242 HZ PHE 30 HZ PHE 30 13.092 -0.433 -1.293 243 H ILE 31 H ILE 31 5.918 -2.122 -4.668 244 HA ILE 31 HA ILE 31 4.455 -4.288 -3.408 245 HB ILE 31 HB ILE 31 3.855 -2.284 -5.621 246 1HG1 ILE 31 2HG1 ILE 31 2.820 -2.371 -2.809 247 2HG1 ILE 31 1HG1 ILE 31 4.386 -1.657 -3.141 248 1HG2 ILE 31 3HG2 ILE 31 2.376 -4.601 -4.653 249 2HG2 ILE 31 2HG2 ILE 31 1.502 -3.088 -4.442 250 3HG2 ILE 31 1HG2 ILE 31 2.062 -3.565 -6.038 251 1HD1 ILE 31 3HD1 ILE 31 1.781 -0.854 -4.450 252 2HD1 ILE 31 2HD1 ILE 31 2.596 0.033 -3.155 253 3HD1 ILE 31 1HD1 ILE 31 3.365 -0.115 -4.734 254 H GLN 32 H GLN 32 6.181 -3.976 -6.548 255 HA GLN 32 HA GLN 32 4.974 -6.369 -7.739 256 1HB GLN 32 2HB GLN 32 7.509 -4.771 -8.279 257 2HB GLN 32 1HB GLN 32 6.990 -6.125 -9.281 258 1HG GLN 32 2HG GLN 32 4.834 -4.964 -9.690 259 2HG GLN 32 1HG GLN 32 5.406 -3.590 -8.756 260 1HE2 GLN 32 1HE2 GLN 32 5.853 -5.372 -11.804 261 2HE2 GLN 32 2HE2 GLN 32 6.782 -4.172 -12.562 262 H SER 33 H SER 33 8.074 -5.672 -6.022 263 HA SER 33 HA SER 33 9.006 -8.421 -5.910 264 1HB SER 33 2HB SER 33 10.470 -7.383 -4.059 265 2HB SER 33 1HB SER 33 10.638 -6.738 -5.685 266 HG SER 33 HG SER 33 9.032 -5.654 -3.597 267 H LEU 34 H LEU 34 6.894 -6.477 -3.898 268 HA LEU 34 HA LEU 34 6.830 -8.294 -1.607 269 1HB LEU 34 2HB LEU 34 6.595 -5.799 -1.598 270 2HB LEU 34 1HB LEU 34 5.076 -5.966 -2.466 271 HG LEU 34 HG LEU 34 4.279 -7.397 -0.508 272 1HD1 LEU 34 3HD1 LEU 34 6.801 -6.234 0.664 273 2HD1 LEU 34 2HD1 LEU 34 5.475 -6.875 1.635 274 3HD1 LEU 34 1HD1 LEU 34 6.361 -7.937 0.540 275 1HD2 LEU 34 2HD2 LEU 34 3.764 -4.940 -0.947 276 2HD2 LEU 34 1HD2 LEU 34 3.615 -5.469 0.727 277 3HD2 LEU 34 3HD2 LEU 34 5.036 -4.565 0.215 278 H LYS 35 H LYS 35 4.583 -7.512 -4.323 279 HA LYS 35 HA LYS 35 2.480 -9.315 -3.528 280 1HB LYS 35 2HB LYS 35 3.199 -7.707 -5.950 281 2HB LYS 35 1HB LYS 35 2.092 -9.013 -6.208 282 1HG LYS 35 2HG LYS 35 1.703 -6.758 -4.293 283 2HG LYS 35 1HG LYS 35 0.819 -7.050 -5.775 284 1HD LYS 35 2HD LYS 35 0.409 -9.430 -4.599 285 2HD LYS 35 1HD LYS 35 0.595 -8.447 -3.153 286 1HE LYS 35 2HE LYS 35 -1.404 -7.396 -3.462 287 2HE LYS 35 1HE LYS 35 -1.166 -7.261 -5.214 288 1HZ LYS 35 1HZ LYS 35 -1.542 -9.943 -4.052 289 2HZ LYS 35 3HZ LYS 35 -2.898 -8.951 -4.241 290 3HZ LYS 35 2HZ LYS 35 -1.962 -9.361 -5.593 291 H ASP 36 H ASP 36 5.441 -9.789 -5.427 292 HA ASP 36 HA ASP 36 4.656 -12.545 -6.192 293 1HB ASP 36 2HB ASP 36 6.950 -10.671 -6.779 294 2HB ASP 36 1HB ASP 36 7.035 -12.372 -7.233 295 H ASP 37 H ASP 37 6.878 -10.929 -3.873 296 HA ASP 37 HA ASP 37 7.700 -13.649 -2.888 297 1HB ASP 37 2HB ASP 37 9.361 -11.871 -3.920 298 2HB ASP 37 1HB ASP 37 9.246 -11.130 -2.323 299 HA PRO 38 HA PRO 38 5.226 -12.105 0.618 300 1HB PRO 38 2HB PRO 38 4.882 -14.568 1.763 301 2HB PRO 38 1HB PRO 38 3.893 -13.980 0.413 302 1HG PRO 38 2HG PRO 38 6.246 -15.807 0.361 303 2HG PRO 38 1HG PRO 38 4.702 -15.929 -0.501 304 1HD PRO 38 1HD PRO 38 6.934 -15.025 -1.696 305 2HD PRO 38 2HD PRO 38 5.316 -14.406 -2.100 306 H SER 39 H SER 39 7.936 -14.448 0.832 307 HA SER 39 HA SER 39 8.544 -14.067 3.620 308 1HB SER 39 2HB SER 39 10.312 -14.903 1.295 309 2HB SER 39 1HB SER 39 10.659 -15.189 2.997 310 HG SER 39 HG SER 39 9.502 -16.923 2.779 311 H GLN 40 H GLN 40 9.678 -12.322 0.705 312 HA GLN 40 HA GLN 40 11.704 -10.801 2.183 313 1HB GLN 40 2HB GLN 40 11.451 -11.513 -0.379 314 2HB GLN 40 1HB GLN 40 10.610 -9.963 -0.483 315 1HG GLN 40 2HG GLN 40 12.649 -8.982 0.753 316 2HG GLN 40 1HG GLN 40 13.464 -10.492 0.347 317 1HE2 GLN 40 1HE2 GLN 40 13.132 -7.386 -0.765 318 2HE2 GLN 40 2HE2 GLN 40 13.345 -7.654 -2.428 319 H SER 41 H SER 41 8.328 -10.524 2.237 320 HA SER 41 HA SER 41 7.784 -7.818 1.723 321 1HB SER 41 2HB SER 41 5.844 -8.177 3.219 322 2HB SER 41 1HB SER 41 6.109 -9.575 2.184 323 HG SER 41 HG SER 41 6.458 -10.721 3.911 324 H ALA 42 H ALA 42 8.844 -9.149 4.951 325 HA ALA 42 HA ALA 42 8.815 -6.583 6.282 326 1HB ALA 42 2HB ALA 42 10.637 -8.968 6.625 327 2HB ALA 42 3HB ALA 42 9.078 -8.742 7.428 328 3HB ALA 42 1HB ALA 42 10.427 -7.665 7.796 329 H ASN 43 H ASN 43 11.436 -8.337 4.565 330 HA ASN 43 HA ASN 43 13.541 -6.426 4.799 331 1HB ASN 43 2HB ASN 43 12.796 -8.722 3.131 332 2HB ASN 43 1HB ASN 43 13.742 -7.513 2.252 333 1HD2 ASN 43 1HD2 ASN 43 13.897 -8.731 5.681 334 2HD2 ASN 43 2HD2 ASN 43 15.551 -9.103 5.616 335 H LEU 44 H LEU 44 10.803 -6.727 2.561 336 HA LEU 44 HA LEU 44 11.542 -4.638 0.744 337 1HB LEU 44 2HB LEU 44 9.011 -6.066 1.487 338 2HB LEU 44 1HB LEU 44 8.998 -4.748 0.312 339 HG LEU 44 HG LEU 44 10.856 -7.117 0.171 340 1HD1 LEU 44 1HD1 LEU 44 8.265 -7.392 -0.102 341 2HD1 LEU 44 3HD1 LEU 44 8.563 -6.672 -1.682 342 3HD1 LEU 44 2HD1 LEU 44 9.367 -8.178 -1.234 343 1HD2 LEU 44 1HD2 LEU 44 10.730 -4.519 -1.082 344 2HD2 LEU 44 3HD2 LEU 44 11.916 -5.821 -1.290 345 3HD2 LEU 44 2HD2 LEU 44 10.464 -5.807 -2.306 346 H LEU 45 H LEU 45 9.500 -4.692 3.684 347 HA LEU 45 HA LEU 45 8.941 -1.833 3.466 348 1HB LEU 45 2HB LEU 45 7.517 -3.146 4.817 349 2HB LEU 45 1HB LEU 45 8.864 -3.844 5.714 350 HG LEU 45 HG LEU 45 9.345 -1.739 6.772 351 1HD1 LEU 45 2HD1 LEU 45 7.413 -0.648 4.722 352 2HD1 LEU 45 1HD1 LEU 45 7.707 0.224 6.224 353 3HD1 LEU 45 3HD1 LEU 45 9.041 -0.079 5.109 354 1HD2 LEU 45 1HD2 LEU 45 7.517 -3.091 7.701 355 2HD2 LEU 45 3HD2 LEU 45 7.247 -1.370 7.985 356 3HD2 LEU 45 2HD2 LEU 45 6.358 -2.205 6.711 357 H ALA 46 H ALA 46 11.406 -3.804 5.189 358 HA ALA 46 HA ALA 46 12.847 -1.701 6.512 359 1HB ALA 46 1HB ALA 46 13.519 -4.365 5.244 360 2HB ALA 46 3HB ALA 46 14.810 -3.345 5.894 361 3HB ALA 46 2HB ALA 46 13.521 -3.921 6.961 362 H GLU 47 H GLU 47 13.288 -3.025 3.175 363 HA GLU 47 HA GLU 47 15.372 -1.139 2.514 364 1HB GLU 47 2HB GLU 47 15.073 -1.972 0.218 365 2HB GLU 47 1HB GLU 47 15.154 -3.301 1.363 366 1HG GLU 47 2HG GLU 47 12.717 -3.432 1.317 367 2HG GLU 47 1HG GLU 47 12.696 -2.151 0.117 368 H ALA 48 H ALA 48 11.784 -1.149 2.207 369 HA ALA 48 HA ALA 48 11.604 1.267 0.635 370 1HB ALA 48 3HB ALA 48 9.913 -0.624 1.371 371 2HB ALA 48 2HB ALA 48 9.647 0.419 2.767 372 3HB ALA 48 1HB ALA 48 9.313 1.014 1.123 373 H LYS 49 H LYS 49 11.820 0.567 4.132 374 HA LYS 49 HA LYS 49 11.509 3.315 5.018 375 1HB LYS 49 2HB LYS 49 12.028 0.595 6.067 376 2HB LYS 49 1HB LYS 49 12.650 1.896 7.071 377 1HG LYS 49 2HG LYS 49 10.536 2.816 7.426 378 2HG LYS 49 1HG LYS 49 9.902 2.175 5.911 379 1HD LYS 49 2HD LYS 49 8.872 0.799 7.457 380 2HD LYS 49 1HD LYS 49 10.306 -0.145 7.047 381 1HE LYS 49 2HE LYS 49 11.439 0.535 9.020 382 2HE LYS 49 1HE LYS 49 10.261 1.827 9.329 383 1HZ LYS 49 1HZ LYS 49 9.640 -1.089 9.291 384 2HZ LYS 49 3HZ LYS 49 9.797 -0.148 10.694 385 3HZ LYS 49 2HZ LYS 49 8.530 0.163 9.605 386 H LYS 50 H LYS 50 14.101 1.138 4.138 387 HA LYS 50 HA LYS 50 16.414 2.683 4.897 388 1HB LYS 50 2HB LYS 50 16.670 0.361 4.446 389 2HB LYS 50 1HB LYS 50 15.650 0.454 3.029 390 1HG LYS 50 2HG LYS 50 17.629 1.980 2.111 391 2HG LYS 50 1HG LYS 50 18.556 1.050 3.290 392 1HD LYS 50 2HD LYS 50 16.686 -0.285 1.305 393 2HD LYS 50 1HD LYS 50 18.383 0.040 0.927 394 1HE LYS 50 2HE LYS 50 19.039 -1.254 2.988 395 2HE LYS 50 1HE LYS 50 17.329 -1.684 3.205 396 1HZ LYS 50 2HZ LYS 50 17.326 -2.572 0.928 397 2HZ LYS 50 1HZ LYS 50 18.985 -2.233 0.788 398 3HZ LYS 50 3HZ LYS 50 18.448 -3.382 1.911 399 H LEU 51 H LEU 51 14.311 2.459 2.021 400 HA LEU 51 HA LEU 51 15.723 4.369 0.338 401 1HB LEU 51 2HB LEU 51 13.205 2.814 0.407 402 2HB LEU 51 1HB LEU 51 13.069 4.345 -0.439 403 HG LEU 51 HG LEU 51 14.581 3.711 -2.092 404 1HD1 LEU 51 2HD1 LEU 51 15.697 1.904 0.010 405 2HD1 LEU 51 1HD1 LEU 51 15.918 1.461 -1.683 406 3HD1 LEU 51 3HD1 LEU 51 16.540 3.003 -1.086 407 1HD2 LEU 51 3HD2 LEU 51 12.854 1.517 -1.123 408 2HD2 LEU 51 2HD2 LEU 51 12.831 2.384 -2.660 409 3HD2 LEU 51 1HD2 LEU 51 14.034 1.124 -2.379 410 H ASN 52 H ASN 52 13.104 4.509 2.708 411 HA ASN 52 HA ASN 52 12.090 7.087 2.258 412 1HB ASN 52 2HB ASN 52 11.247 5.218 3.748 413 2HB ASN 52 1HB ASN 52 12.465 5.706 4.926 414 1HD2 ASN 52 1HD2 ASN 52 11.929 7.403 6.307 415 2HD2 ASN 52 2HD2 ASN 52 10.567 8.398 6.122 416 H ASP 53 H ASP 53 14.837 6.030 4.295 417 HA ASP 53 HA ASP 53 15.520 8.768 5.146 418 1HB ASP 53 2HB ASP 53 15.805 6.687 6.509 419 2HB ASP 53 1HB ASP 53 17.052 6.164 5.377 420 H ALA 54 H ALA 54 16.862 6.338 2.870 421 HA ALA 54 HA ALA 54 19.193 7.824 2.056 422 1HB ALA 54 1HB ALA 54 17.522 5.827 0.487 423 2HB ALA 54 3HB ALA 54 19.231 6.193 0.235 424 3HB ALA 54 2HB ALA 54 18.710 5.380 1.711 425 H GLN 55 H GLN 55 15.875 7.661 0.737 426 HA GLN 55 HA GLN 55 16.427 9.728 -1.312 427 1HB GLN 55 2HB GLN 55 13.903 8.240 -0.530 428 2HB GLN 55 1HB GLN 55 14.097 9.241 -1.962 429 1HG GLN 55 2HG GLN 55 15.909 7.716 -2.757 430 2HG GLN 55 1HG GLN 55 15.625 6.678 -1.355 431 1HE2 GLN 55 1HE2 GLN 55 12.920 6.463 -1.151 432 2HE2 GLN 55 2HE2 GLN 55 12.232 5.859 -2.579 433 H ALA 56 H ALA 56 15.848 9.891 1.982 434 HA ALA 56 HA ALA 56 13.694 11.788 2.207 435 1HB ALA 56 3HB ALA 56 15.757 11.987 4.255 436 2HB ALA 56 2HB ALA 56 14.089 11.443 4.406 437 3HB ALA 56 1HB ALA 56 15.345 10.304 3.917 438 HA PRO 57 HA PRO 57 15.640 15.545 1.120 439 1HB PRO 57 2HB PRO 57 14.225 17.296 2.683 440 2HB PRO 57 1HB PRO 57 13.552 16.522 1.234 441 1HG PRO 57 2HG PRO 57 13.195 15.790 4.102 442 2HG PRO 57 1HG PRO 57 12.005 15.823 2.789 443 1HD PRO 57 1HD PRO 57 13.162 13.539 3.674 444 2HD PRO 57 2HD PRO 57 12.631 13.766 1.993 445 H LYS 58 H LYS 58 15.364 14.765 4.589 446 HA LYS 58 HA LYS 58 18.033 16.033 5.051 447 1HB LYS 58 2HB LYS 58 16.095 17.554 5.645 448 2HB LYS 58 1HB LYS 58 15.605 16.359 6.847 449 1HG LYS 58 2HG LYS 58 17.834 16.565 7.930 450 2HG LYS 58 1HG LYS 58 18.268 17.812 6.760 451 1HD LYS 58 2HD LYS 58 16.300 19.154 7.531 452 2HD LYS 58 1HD LYS 58 16.006 17.941 8.778 453 1HE LYS 58 2HE LYS 58 18.766 19.109 8.595 454 2HE LYS 58 1HE LYS 58 17.483 20.100 9.311 455 1HZ LYS 58 2HZ LYS 58 18.132 17.298 10.090 456 2HZ LYS 58 1HZ LYS 58 18.540 18.685 10.982 457 3HZ LYS 58 3HZ LYS 58 16.910 18.262 10.775 458 H1 VAL 1 1H VAL 1 2.255 -13.661 -13.162 459 H2 VAL 1 3H VAL 1 3.637 -14.619 -12.936 460 H3 VAL 1 2H VAL 1 2.223 -15.308 -13.575 461 HA VAL 1 HA VAL 1 2.410 -15.971 -11.284 462 HB VAL 1 HB VAL 1 3.929 -13.964 -10.838 463 1HG1 VAL 1 3HG1 VAL 1 2.361 -12.217 -11.679 464 2HG1 VAL 1 2HG1 VAL 1 1.291 -12.554 -10.318 465 3HG1 VAL 1 1HG1 VAL 1 2.902 -11.898 -10.032 466 1HG2 VAL 1 3HG2 VAL 1 3.044 -15.524 -9.069 467 2HG2 VAL 1 2HG2 VAL 1 3.403 -13.903 -8.479 468 3HG2 VAL 1 1HG2 VAL 1 1.734 -14.377 -8.788 469 H ASP 2 H ASP 2 0.510 -16.118 -9.901 470 HA ASP 2 HA ASP 2 -2.009 -15.507 -11.222 471 1HB ASP 2 2HB ASP 2 -1.522 -17.496 -9.761 472 2HB ASP 2 1HB ASP 2 -1.439 -16.412 -8.373 473 H ASN 3 H ASN 3 -3.274 -13.691 -10.962 474 HA ASN 3 HA ASN 3 -3.971 -11.563 -10.257 475 1HB ASN 3 2HB ASN 3 -4.514 -13.004 -8.259 476 2HB ASN 3 1HB ASN 3 -2.955 -12.560 -7.566 477 1HD2 ASN 3 1HD2 ASN 3 -5.964 -10.994 -8.847 478 2HD2 ASN 3 2HD2 ASN 3 -5.893 -9.674 -7.782 479 H LYS 4 H LYS 4 -1.875 -11.077 -11.619 480 HA LYS 4 HA LYS 4 0.455 -10.076 -10.142 481 1HB LYS 4 2HB LYS 4 1.286 -9.542 -12.394 482 2HB LYS 4 1HB LYS 4 0.579 -11.155 -12.381 483 1HG LYS 4 2HG LYS 4 -1.544 -10.176 -13.311 484 2HG LYS 4 1HG LYS 4 -0.727 -8.620 -13.433 485 1HD LYS 4 2HD LYS 4 1.053 -9.803 -14.826 486 2HD LYS 4 1HD LYS 4 -0.045 -11.183 -14.886 487 1HE LYS 4 2HE LYS 4 -0.704 -10.061 -16.824 488 2HE LYS 4 1HE LYS 4 -1.790 -9.294 -15.651 489 1HZ LYS 4 3HZ LYS 4 0.902 -8.280 -16.424 490 2HZ LYS 4 2HZ LYS 4 -0.578 -7.633 -16.945 491 3HZ LYS 4 1HZ LYS 4 -0.145 -7.550 -15.305 492 H PHE 5 H PHE 5 -1.527 -8.715 -8.980 493 HA PHE 5 HA PHE 5 -1.899 -6.066 -10.262 494 1HB PHE 5 2HB PHE 5 -3.005 -7.619 -7.929 495 2HB PHE 5 1HB PHE 5 -3.264 -5.888 -8.034 496 HD1 PHE 5 HD1 PHE 5 -3.539 -8.966 -10.165 497 HD2 PHE 5 HD2 PHE 5 -5.154 -5.120 -9.154 498 HE1 PHE 5 HE1 PHE 5 -5.423 -9.353 -11.713 499 HE2 PHE 5 HE2 PHE 5 -7.038 -5.507 -10.709 500 HZ PHE 5 HZ PHE 5 -7.179 -7.624 -11.990 501 H ASN 6 H ASN 6 0.174 -5.047 -9.976 502 HA ASN 6 HA ASN 6 1.025 -4.613 -7.163 503 1HB ASN 6 2HB ASN 6 3.413 -4.765 -8.241 504 2HB ASN 6 1HB ASN 6 2.544 -6.226 -7.810 505 1HD2 ASN 6 1HD2 ASN 6 2.294 -7.760 -9.466 506 2HD2 ASN 6 2HD2 ASN 6 2.520 -7.438 -11.118 507 H LYS 7 H LYS 7 1.360 -3.404 -10.485 508 HA LYS 7 HA LYS 7 2.526 -0.844 -9.764 509 1HB LYS 7 2HB LYS 7 0.910 -1.815 -12.143 510 2HB LYS 7 1HB LYS 7 1.754 -0.265 -12.108 511 1HG LYS 7 2HG LYS 7 3.901 -1.495 -11.707 512 2HG LYS 7 1HG LYS 7 3.028 -3.012 -11.892 513 1HD LYS 7 2HD LYS 7 2.321 -2.255 -14.177 514 2HD LYS 7 1HD LYS 7 3.363 -0.844 -13.982 515 1HE LYS 7 2HE LYS 7 4.435 -3.663 -13.649 516 2HE LYS 7 1HE LYS 7 4.401 -2.852 -15.224 517 1HZ LYS 7 3HZ LYS 7 5.537 -0.930 -14.113 518 2HZ LYS 7 2HZ LYS 7 5.750 -1.916 -12.745 519 3HZ LYS 7 1HZ LYS 7 6.479 -2.337 -14.217 520 H GLU 8 H GLU 8 -0.684 -2.019 -10.334 521 HA GLU 8 HA GLU 8 -2.096 0.434 -10.000 522 1HB GLU 8 2HB GLU 8 -4.040 -1.153 -9.702 523 2HB GLU 8 1HB GLU 8 -3.064 -1.457 -11.136 524 1HG GLU 8 2HG GLU 8 -1.960 -2.927 -8.940 525 2HG GLU 8 1HG GLU 8 -3.689 -3.278 -9.061 526 H LEU 9 H LEU 9 -0.864 -1.905 -7.621 527 HA LEU 9 HA LEU 9 -2.431 -0.865 -5.410 528 1HB LEU 9 2HB LEU 9 0.313 -2.113 -5.221 529 2HB LEU 9 1HB LEU 9 -0.855 -1.931 -3.966 530 HG LEU 9 HG LEU 9 -1.490 -3.578 -6.393 531 1HD1 LEU 9 1HD1 LEU 9 0.246 -4.162 -4.036 532 2HD1 LEU 9 3HD1 LEU 9 -0.996 -5.381 -4.354 533 3HD1 LEU 9 2HD1 LEU 9 0.194 -4.988 -5.597 534 1HD2 LEU 9 2HD2 LEU 9 -2.636 -3.219 -3.593 535 2HD2 LEU 9 1HD2 LEU 9 -3.448 -2.934 -5.134 536 3HD2 LEU 9 3HD2 LEU 9 -3.072 -4.584 -4.617 537 H SER 10 H SER 10 0.637 0.089 -6.906 538 HA SER 10 HA SER 10 1.559 1.858 -4.840 539 1HB SER 10 2HB SER 10 2.876 1.042 -6.734 540 2HB SER 10 1HB SER 10 1.880 1.953 -7.846 541 HG SER 10 HG SER 10 2.700 3.818 -7.051 542 H VAL 11 H VAL 11 -0.604 2.352 -7.643 543 HA VAL 11 HA VAL 11 -1.141 5.180 -6.966 544 HB VAL 11 HB VAL 11 -2.462 3.360 -9.014 545 1HG1 VAL 11 1HG1 VAL 11 -2.077 6.364 -8.866 546 2HG1 VAL 11 3HG1 VAL 11 -2.794 5.506 -10.229 547 3HG1 VAL 11 2HG1 VAL 11 -3.598 5.496 -8.659 548 1HG2 VAL 11 2HG2 VAL 11 0.082 5.006 -9.264 549 2HG2 VAL 11 1HG2 VAL 11 -0.035 3.243 -9.343 550 3HG2 VAL 11 3HG2 VAL 11 -0.752 4.238 -10.615 551 H ALA 12 H ALA 12 -3.149 2.205 -7.278 552 HA ALA 12 HA ALA 12 -5.566 3.190 -6.147 553 1HB ALA 12 1HB ALA 12 -5.100 1.024 -7.448 554 2HB ALA 12 2HB ALA 12 -6.191 0.868 -6.074 555 3HB ALA 12 3HB ALA 12 -4.507 0.346 -5.923 556 H GLY 13 H GLY 13 -2.939 1.417 -4.619 557 1HA GLY 13 1HA GLY 13 -2.341 1.079 -2.411 558 2HA GLY 13 2HA GLY 13 -4.024 1.373 -1.985 559 H ARG 14 H ARG 14 -1.450 3.498 -3.394 560 HA ARG 14 HA ARG 14 -1.165 4.946 -0.944 561 1HB ARG 14 2HB ARG 14 0.495 4.893 -2.771 562 2HB ARG 14 1HB ARG 14 -0.553 5.970 -3.707 563 1HG ARG 14 2HG ARG 14 -0.354 7.733 -2.136 564 2HG ARG 14 1HG ARG 14 0.248 6.657 -0.876 565 1HD ARG 14 2HD ARG 14 2.061 8.039 -1.811 566 2HD ARG 14 1HD ARG 14 2.322 6.321 -2.181 567 HE ARG 14 HE ARG 14 1.429 6.719 -4.442 568 1HH1 ARG 14 1HH1 ARG 14 3.674 8.776 -4.111 569 2HH1 ARG 14 2HH1 ARG 14 2.910 10.208 -4.716 570 1HH2 ARG 14 1HH2 ARG 14 -0.312 8.887 -4.522 571 2HH2 ARG 14 2HH2 ARG 14 0.636 10.271 -4.949 572 H GLU 15 H GLU 15 -3.422 5.533 -3.674 573 HA GLU 15 HA GLU 15 -4.250 8.173 -2.791 574 1HB GLU 15 2HB GLU 15 -5.598 5.964 -4.380 575 2HB GLU 15 1HB GLU 15 -6.347 7.537 -4.113 576 1HG GLU 15 2HG GLU 15 -3.680 7.049 -5.482 577 2HG GLU 15 1HG GLU 15 -5.179 7.509 -6.280 578 H ILE 16 H ILE 16 -5.264 4.861 -2.007 579 HA ILE 16 HA ILE 16 -7.360 5.510 -0.105 580 HB ILE 16 HB ILE 16 -5.617 3.061 -0.616 581 1HG1 ILE 16 2HG1 ILE 16 -8.527 3.495 -1.340 582 2HG1 ILE 16 1HG1 ILE 16 -7.225 3.951 -2.430 583 1HG2 ILE 16 3HG2 ILE 16 -7.968 3.499 1.218 584 2HG2 ILE 16 2HG2 ILE 16 -7.645 1.905 0.527 585 3HG2 ILE 16 1HG2 ILE 16 -6.439 2.686 1.555 586 1HD1 ILE 16 2HD1 ILE 16 -6.404 1.486 -2.017 587 2HD1 ILE 16 1HD1 ILE 16 -8.077 1.219 -1.532 588 3HD1 ILE 16 3HD1 ILE 16 -7.713 1.796 -3.159 589 H VAL 17 H VAL 17 -3.858 5.224 0.006 590 HA VAL 17 HA VAL 17 -3.401 5.005 2.846 591 HB VAL 17 HB VAL 17 -1.843 5.745 0.387 592 1HG1 VAL 17 2HG1 VAL 17 -1.106 6.719 2.991 593 2HG1 VAL 17 1HG1 VAL 17 0.083 5.564 2.397 594 3HG1 VAL 17 3HG1 VAL 17 -0.316 6.984 1.429 595 1HG2 VAL 17 2HG2 VAL 17 -2.169 3.432 2.088 596 2HG2 VAL 17 1HG2 VAL 17 -1.502 3.562 0.450 597 3HG2 VAL 17 3HG2 VAL 17 -0.466 3.848 1.840 598 H THR 18 H THR 18 -3.629 7.824 0.607 599 HA THR 18 HA THR 18 -3.760 9.579 3.025 600 HB THR 18 HB THR 18 -1.473 9.382 2.061 601 HG1 THR 18 HG1 THR 18 -1.166 11.398 2.537 602 1HG2 THR 18 2HG2 THR 18 -2.847 9.643 -0.412 603 2HG2 THR 18 1HG2 THR 18 -1.837 11.076 -0.240 604 3HG2 THR 18 3HG2 THR 18 -1.113 9.469 -0.156 605 H LEU 19 H LEU 19 -6.100 8.825 1.246 606 HA LEU 19 HA LEU 19 -6.646 11.025 -0.565 607 1HB LEU 19 2HB LEU 19 -9.052 10.310 -0.195 608 2HB LEU 19 1HB LEU 19 -7.957 9.047 -0.729 609 HG LEU 19 HG LEU 19 -8.034 9.227 2.175 610 1HD1 LEU 19 3HD1 LEU 19 -10.577 9.130 0.606 611 2HD1 LEU 19 2HD1 LEU 19 -10.438 8.150 2.062 612 3HD1 LEU 19 1HD1 LEU 19 -10.241 9.901 2.159 613 1HD2 LEU 19 3HD2 LEU 19 -8.328 7.186 -0.009 614 2HD2 LEU 19 2HD2 LEU 19 -7.210 7.209 1.349 615 3HD2 LEU 19 1HD2 LEU 19 -8.897 6.762 1.607 616 HA PRO 20 HA PRO 20 -7.360 14.580 1.767 617 1HB PRO 20 2HB PRO 20 -9.879 15.481 1.113 618 2HB PRO 20 1HB PRO 20 -8.441 15.624 0.077 619 1HG PRO 20 2HG PRO 20 -10.583 13.536 0.047 620 2HG PRO 20 1HG PRO 20 -9.880 14.439 -1.309 621 1HD PRO 20 1HD PRO 20 -9.081 11.962 -0.818 622 2HD PRO 20 2HD PRO 20 -7.889 13.206 -1.263 623 H ASN 21 H ASN 21 -10.109 12.306 2.425 624 HA ASN 21 HA ASN 21 -10.238 13.623 5.146 625 1HB ASN 21 2HB ASN 21 -12.452 12.659 3.351 626 2HB ASN 21 1HB ASN 21 -12.707 13.163 5.010 627 1HD2 ASN 21 1HD2 ASN 21 -13.635 14.388 2.370 628 2HD2 ASN 21 2HD2 ASN 21 -13.132 16.009 2.459 629 H LEU 22 H LEU 22 -9.026 10.830 4.210 630 HA LEU 22 HA LEU 22 -10.801 9.011 5.757 631 1HB LEU 22 2HB LEU 22 -9.399 8.562 3.568 632 2HB LEU 22 1HB LEU 22 -8.132 8.219 4.726 633 HG LEU 22 HG LEU 22 -10.043 6.775 5.869 634 1HD1 LEU 22 3HD1 LEU 22 -11.642 7.576 3.995 635 2HD1 LEU 22 2HD1 LEU 22 -10.768 6.446 2.960 636 3HD1 LEU 22 1HD1 LEU 22 -11.627 5.856 4.383 637 1HD2 LEU 22 2HD2 LEU 22 -8.082 6.206 3.698 638 2HD2 LEU 22 1HD2 LEU 22 -8.178 5.556 5.341 639 3HD2 LEU 22 3HD2 LEU 22 -9.246 4.931 4.082 640 H ASN 23 H ASN 23 -10.050 7.799 7.514 641 HA ASN 23 HA ASN 23 -7.959 9.160 9.172 642 1HB ASN 23 2HB ASN 23 -9.025 7.961 11.066 643 2HB ASN 23 1HB ASN 23 -10.185 8.932 10.174 644 1HD2 ASN 23 1HD2 ASN 23 -11.964 7.548 10.953 645 2HD2 ASN 23 2HD2 ASN 23 -12.196 5.992 10.314 646 H ASP 24 H ASP 24 -6.408 7.750 10.381 647 HA ASP 24 HA ASP 24 -4.989 6.020 8.692 648 1HB ASP 24 2HB ASP 24 -3.584 5.563 10.636 649 2HB ASP 24 1HB ASP 24 -4.016 7.263 10.551 650 HA PRO 25 HA PRO 25 -6.723 2.163 11.018 651 1HB PRO 25 2HB PRO 25 -9.369 2.247 11.738 652 2HB PRO 25 1HB PRO 25 -8.037 2.642 12.843 653 1HG PRO 25 2HG PRO 25 -9.811 4.466 11.295 654 2HG PRO 25 1HG PRO 25 -9.229 4.605 12.961 655 1HD PRO 25 1HD PRO 25 -8.147 6.003 10.931 656 2HD PRO 25 2HD PRO 25 -7.200 5.457 12.325 657 H GLN 26 H GLN 26 -9.113 4.092 9.104 658 HA GLN 26 HA GLN 26 -10.241 1.809 7.742 659 1HB GLN 26 2HB GLN 26 -10.176 4.785 7.164 660 2HB GLN 26 1HB GLN 26 -11.078 3.638 6.169 661 1HG GLN 26 2HG GLN 26 -12.276 2.856 8.226 662 2HG GLN 26 1HG GLN 26 -11.451 4.108 9.146 663 1HE2 GLN 26 1HE2 GLN 26 -11.633 6.283 7.269 664 2HE2 GLN 26 2HE2 GLN 26 -13.270 6.669 7.069 665 H LYS 27 H LYS 27 -7.702 4.175 6.705 666 HA LYS 27 HA LYS 27 -7.213 3.012 4.149 667 1HB LYS 27 2HB LYS 27 -4.851 3.964 4.486 668 2HB LYS 27 1HB LYS 27 -6.205 5.095 4.476 669 1HG LYS 27 2HG LYS 27 -6.121 4.901 7.054 670 2HG LYS 27 1HG LYS 27 -4.555 4.138 6.815 671 1HD LYS 27 2HD LYS 27 -4.133 6.483 7.129 672 2HD LYS 27 1HD LYS 27 -3.910 6.152 5.418 673 1HE LYS 27 2HE LYS 27 -5.677 7.453 4.795 674 2HE LYS 27 1HE LYS 27 -6.677 6.906 6.151 675 1HZ LYS 27 2HZ LYS 27 -5.270 8.248 7.643 676 2HZ LYS 27 1HZ LYS 27 -4.419 8.838 6.294 677 3HZ LYS 27 3HZ LYS 27 -6.062 9.203 6.482 678 H LYS 28 H LYS 28 -5.845 2.147 7.332 679 HA LYS 28 HA LYS 28 -3.865 0.301 6.398 680 1HB LYS 28 2HB LYS 28 -5.547 0.595 8.920 681 2HB LYS 28 1HB LYS 28 -4.534 -0.833 8.736 682 1HG LYS 28 2HG LYS 28 -3.039 1.469 8.012 683 2HG LYS 28 1HG LYS 28 -3.751 1.762 9.580 684 1HD LYS 28 2HD LYS 28 -1.660 0.705 10.015 685 2HD LYS 28 1HD LYS 28 -2.868 -0.565 10.216 686 1HE LYS 28 2HE LYS 28 -2.275 -1.627 8.226 687 2HE LYS 28 1HE LYS 28 -1.609 -0.146 7.510 688 1HZ LYS 28 3HZ LYS 28 0.144 -0.198 9.228 689 2HZ LYS 28 2HZ LYS 28 -0.458 -1.684 9.791 690 3HZ LYS 28 1HZ LYS 28 0.191 -1.564 8.226 691 H ALA 29 H ALA 29 -7.207 -0.455 7.635 692 HA ALA 29 HA ALA 29 -7.298 -3.189 6.785 693 1HB ALA 29 3HB ALA 29 -9.761 -2.855 7.021 694 2HB ALA 29 1HB ALA 29 -9.499 -1.111 7.083 695 3HB ALA 29 2HB ALA 29 -8.870 -2.144 8.368 696 H PHE 30 H PHE 30 -7.989 -0.180 5.062 697 HA PHE 30 HA PHE 30 -9.236 -1.220 2.693 698 1HB PHE 30 2HB PHE 30 -8.192 1.249 3.778 699 2HB PHE 30 1HB PHE 30 -7.627 1.067 2.136 700 HD1 PHE 30 HD1 PHE 30 -10.376 1.981 4.220 701 HD2 PHE 30 HD2 PHE 30 -9.321 0.495 0.339 702 HE1 PHE 30 HE1 PHE 30 -12.575 2.704 3.356 703 HE2 PHE 30 HE2 PHE 30 -11.534 1.209 -0.523 704 HZ PHE 30 HZ PHE 30 -13.152 2.322 0.986 705 H ILE 31 H ILE 31 -5.856 -0.236 3.280 706 HA ILE 31 HA ILE 31 -4.863 -1.116 0.737 707 HB ILE 31 HB ILE 31 -3.766 -0.366 3.429 708 1HG1 ILE 31 2HG1 ILE 31 -4.119 0.806 0.741 709 2HG1 ILE 31 1HG1 ILE 31 -4.034 1.606 2.318 710 1HG2 ILE 31 2HG2 ILE 31 -2.377 -2.315 2.301 711 2HG2 ILE 31 1HG2 ILE 31 -1.845 -1.036 1.198 712 3HG2 ILE 31 3HG2 ILE 31 -1.543 -0.902 2.929 713 1HD1 ILE 31 1HD1 ILE 31 -1.620 0.429 1.004 714 2HD1 ILE 31 3HD1 ILE 31 -2.179 2.046 0.636 715 3HD1 ILE 31 2HD1 ILE 31 -1.710 1.639 2.298 716 H PHE 32 H PHE 32 -5.055 -2.642 3.953 717 HA PHE 32 HA PHE 32 -3.615 -5.020 3.292 718 1HB PHE 32 2HB PHE 32 -5.587 -4.175 5.403 719 2HB PHE 32 1HB PHE 32 -5.080 -5.853 5.319 720 HD1 PHE 32 HD1 PHE 32 -3.285 -2.425 4.996 721 HD2 PHE 32 HD2 PHE 32 -3.313 -6.428 6.776 722 HE1 PHE 32 HE1 PHE 32 -1.235 -1.952 6.194 723 HE2 PHE 32 HE2 PHE 32 -1.222 -5.884 7.893 724 HZ PHE 32 HZ PHE 32 -0.186 -3.687 7.589 725 H SER 33 H SER 33 -7.074 -4.066 2.765 726 HA SER 33 HA SER 33 -7.764 -6.764 1.764 727 1HB SER 33 2HB SER 33 -9.911 -5.701 1.210 728 2HB SER 33 1HB SER 33 -9.428 -5.260 2.839 729 HG SER 33 HG SER 33 -9.427 -3.271 2.218 730 H LEU 34 H LEU 34 -6.612 -3.664 0.436 731 HA LEU 34 HA LEU 34 -6.952 -4.167 -2.396 732 1HB LEU 34 2HB LEU 34 -6.365 -1.976 -1.300 733 2HB LEU 34 1HB LEU 34 -4.793 -2.618 -0.894 734 HG LEU 34 HG LEU 34 -4.633 -3.051 -3.471 735 1HD1 LEU 34 2HD1 LEU 34 -6.985 -1.221 -3.191 736 2HD1 LEU 34 1HD1 LEU 34 -5.869 -0.946 -4.531 737 3HD1 LEU 34 3HD1 LEU 34 -6.692 -2.499 -4.370 738 1HD2 LEU 34 3HD2 LEU 34 -3.655 -1.109 -1.777 739 2HD2 LEU 34 2HD2 LEU 34 -3.238 -1.239 -3.493 740 3HD2 LEU 34 1HD2 LEU 34 -4.516 -0.141 -2.981 741 H TRP 35 H TRP 35 -4.376 -4.891 -0.055 742 HA TRP 35 HA TRP 35 -2.458 -6.040 -1.848 743 1HB TRP 35 2HB TRP 35 -2.102 -5.224 0.486 744 2HB TRP 35 1HB TRP 35 -2.959 -6.654 1.076 745 HD1 TRP 35 HD1 TRP 35 -1.540 -8.749 1.397 746 HE1 TRP 35 HE1 TRP 35 0.749 -9.536 0.569 747 HE3 TRP 35 HE3 TRP 35 -0.351 -4.910 -1.734 748 HZ2 TRP 35 HZ2 TRP 35 2.841 -8.635 -1.169 749 HZ3 TRP 35 HZ3 TRP 35 1.779 -4.923 -2.963 750 HH2 TRP 35 HH2 TRP 35 3.364 -6.756 -2.675 751 H ASP 36 H ASP 36 -5.033 -7.574 0.177 752 HA ASP 36 HA ASP 36 -4.402 -10.287 -0.632 753 1HB ASP 36 2HB ASP 36 -6.798 -8.983 0.702 754 2HB ASP 36 1HB ASP 36 -6.657 -10.722 0.471 755 H ASP 37 H ASP 37 -6.979 -7.966 -1.587 756 HA ASP 37 HA ASP 37 -7.342 -9.595 -4.048 757 1HB ASP 37 2HB ASP 37 -9.531 -8.320 -2.367 758 2HB ASP 37 1HB ASP 37 -9.776 -9.259 -3.834 759 HA PRO 38 HA PRO 38 -6.602 -5.114 -5.069 760 1HB PRO 38 2HB PRO 38 -4.804 -5.580 -7.052 761 2HB PRO 38 1HB PRO 38 -4.361 -5.381 -5.351 762 1HG PRO 38 2HG PRO 38 -4.708 -7.895 -6.919 763 2HG PRO 38 1HG PRO 38 -3.448 -7.468 -5.750 764 1HD PRO 38 1HD PRO 38 -5.523 -9.062 -5.108 765 2HD PRO 38 2HD PRO 38 -4.779 -7.943 -3.938 766 H SER 39 H SER 39 -7.949 -7.878 -6.574 767 HA SER 39 HA SER 39 -8.414 -6.988 -9.269 768 1HB SER 39 2HB SER 39 -9.033 -9.176 -7.709 769 2HB SER 39 1HB SER 39 -10.603 -8.401 -7.852 770 HG SER 39 HG SER 39 -10.607 -8.758 -9.961 771 H GLN 40 H GLN 40 -9.875 -6.264 -6.134 772 HA GLN 40 HA GLN 40 -11.981 -4.487 -7.244 773 1HB GLN 40 2HB GLN 40 -11.240 -4.742 -4.332 774 2HB GLN 40 1HB GLN 40 -12.826 -4.475 -5.034 775 1HG GLN 40 2HG GLN 40 -11.258 -7.062 -4.926 776 2HG GLN 40 1HG GLN 40 -12.767 -6.695 -4.105 777 1HE2 GLN 40 1HE2 GLN 40 -11.971 -8.771 -6.279 778 2HE2 GLN 40 2HE2 GLN 40 -13.178 -8.591 -7.461 779 H SER 41 H SER 41 -8.797 -3.940 -7.230 780 HA SER 41 HA SER 41 -8.177 -1.885 -5.408 781 1HB SER 41 2HB SER 41 -6.431 -1.292 -7.025 782 2HB SER 41 1HB SER 41 -6.550 -3.025 -6.780 783 HG SER 41 HG SER 41 -7.066 -3.237 -8.815 784 H ALA 42 H ALA 42 -9.723 -1.581 -8.639 785 HA ALA 42 HA ALA 42 -9.799 1.309 -8.708 786 1HB ALA 42 1HB ALA 42 -11.631 -0.805 -9.917 787 2HB ALA 42 3HB ALA 42 -11.581 0.889 -10.411 788 3HB ALA 42 2HB ALA 42 -10.179 -0.147 -10.673 789 H ASN 43 H ASN 43 -12.065 -1.189 -7.531 790 HA ASN 43 HA ASN 43 -14.113 0.564 -6.576 791 1HB ASN 43 2HB ASN 43 -14.286 -1.899 -7.086 792 2HB ASN 43 1HB ASN 43 -13.344 -2.215 -5.630 793 1HD2 ASN 43 1HD2 ASN 43 -14.421 -2.051 -3.582 794 2HD2 ASN 43 2HD2 ASN 43 -16.076 -1.701 -3.439 795 H LEU 44 H LEU 44 -11.129 -0.757 -5.076 796 HA LEU 44 HA LEU 44 -11.700 0.035 -2.361 797 1HB LEU 44 2HB LEU 44 -9.379 -0.843 -4.010 798 2HB LEU 44 1HB LEU 44 -9.014 -0.061 -2.475 799 HG LEU 44 HG LEU 44 -11.143 -2.136 -2.436 800 1HD1 LEU 44 1HD1 LEU 44 -8.655 -2.689 -3.659 801 2HD1 LEU 44 3HD1 LEU 44 -8.563 -3.369 -2.031 802 3HD1 LEU 44 2HD1 LEU 44 -9.865 -3.861 -3.119 803 1HD2 LEU 44 1HD2 LEU 44 -8.872 -1.193 -0.657 804 2HD2 LEU 44 3HD2 LEU 44 -10.614 -1.025 -0.393 805 3HD2 LEU 44 2HD2 LEU 44 -9.852 -2.615 -0.276 806 H LEU 45 H LEU 45 -9.761 1.523 -4.883 807 HA LEU 45 HA LEU 45 -8.958 3.899 -3.555 808 1HB LEU 45 2HB LEU 45 -8.002 3.133 -5.668 809 2HB LEU 45 1HB LEU 45 -9.561 3.268 -6.466 810 HG LEU 45 HG LEU 45 -9.487 5.609 -6.507 811 1HD1 LEU 45 3HD1 LEU 45 -7.578 5.303 -4.202 812 2HD1 LEU 45 2HD1 LEU 45 -7.589 6.790 -5.156 813 3HD1 LEU 45 1HD1 LEU 45 -9.049 6.276 -4.316 814 1HD2 LEU 45 3HD2 LEU 45 -6.608 4.677 -6.708 815 2HD2 LEU 45 2HD2 LEU 45 -7.800 4.648 -8.007 816 3HD2 LEU 45 1HD2 LEU 45 -7.233 6.189 -7.365 817 H ALA 46 H ALA 46 -11.841 3.216 -5.558 818 HA ALA 46 HA ALA 46 -13.069 5.818 -5.300 819 1HB ALA 46 3HB ALA 46 -13.906 3.006 -5.994 820 2HB ALA 46 1HB ALA 46 -13.834 4.422 -7.045 821 3HB ALA 46 2HB ALA 46 -15.130 4.272 -5.858 822 H GLU 47 H GLU 47 -13.463 2.732 -3.523 823 HA GLU 47 HA GLU 47 -15.468 3.497 -1.667 824 1HB GLU 47 2HB GLU 47 -14.416 1.197 -2.241 825 2HB GLU 47 1HB GLU 47 -13.137 1.627 -1.105 826 1HG GLU 47 2HG GLU 47 -14.889 1.952 0.656 827 2HG GLU 47 1HG GLU 47 -16.110 1.420 -0.496 828 H ALA 48 H ALA 48 -11.956 3.970 -1.691 829 HA ALA 48 HA ALA 48 -11.652 4.904 1.035 830 1HB ALA 48 3HB ALA 48 -9.575 4.394 0.236 831 2HB ALA 48 1HB ALA 48 -9.582 6.010 -0.478 832 3HB ALA 48 2HB ALA 48 -10.074 4.602 -1.445 833 H LYS 49 H LYS 49 -11.744 6.677 -2.106 834 HA LYS 49 HA LYS 49 -11.793 9.328 -1.012 835 1HB LYS 49 2HB LYS 49 -12.922 8.195 -3.596 836 2HB LYS 49 1HB LYS 49 -12.706 9.914 -3.277 837 1HG LYS 49 2HG LYS 49 -10.246 9.430 -2.881 838 2HG LYS 49 1HG LYS 49 -10.543 7.799 -3.480 839 1HD LYS 49 2HD LYS 49 -11.613 8.987 -5.537 840 2HD LYS 49 1HD LYS 49 -10.747 10.413 -4.971 841 1HE LYS 49 2HE LYS 49 -9.446 7.734 -5.594 842 2HE LYS 49 1HE LYS 49 -9.421 9.146 -6.659 843 1HZ LYS 49 2HZ LYS 49 -8.476 10.410 -4.710 844 2HZ LYS 49 1HZ LYS 49 -8.251 8.913 -3.934 845 3HZ LYS 49 3HZ LYS 49 -7.442 9.247 -5.385 846 H LYS 50 H LYS 50 -14.459 7.147 -1.979 847 HA LYS 50 HA LYS 50 -16.632 8.945 -1.396 848 1HB LYS 50 2HB LYS 50 -16.245 5.989 -1.796 849 2HB LYS 50 1HB LYS 50 -17.798 6.561 -1.201 850 1HG LYS 50 2HG LYS 50 -17.500 6.310 -3.769 851 2HG LYS 50 1HG LYS 50 -18.252 7.782 -3.167 852 1HD LYS 50 2HD LYS 50 -16.233 9.044 -3.497 853 2HD LYS 50 1HD LYS 50 -15.294 7.585 -3.796 854 1HE LYS 50 2HE LYS 50 -17.648 8.032 -5.578 855 2HE LYS 50 1HE LYS 50 -16.245 9.092 -5.816 856 1HZ LYS 50 1HZ LYS 50 -16.145 6.119 -5.657 857 2HZ LYS 50 3HZ LYS 50 -16.032 7.023 -7.086 858 3HZ LYS 50 2HZ LYS 50 -14.817 7.147 -5.908 859 H LEU 51 H LEU 51 -14.912 6.526 0.616 860 HA LEU 51 HA LEU 51 -16.622 6.740 2.938 861 1HB LEU 51 2HB LEU 51 -15.074 4.874 2.522 862 2HB LEU 51 1HB LEU 51 -13.696 5.967 2.606 863 HG LEU 51 HG LEU 51 -14.045 6.359 4.956 864 1HD1 LEU 51 1HD1 LEU 51 -16.675 4.902 4.548 865 2HD1 LEU 51 3HD1 LEU 51 -15.985 5.213 6.141 866 3HD1 LEU 51 2HD1 LEU 51 -16.442 6.562 5.100 867 1HD2 LEU 51 2HD2 LEU 51 -14.143 3.542 3.974 868 2HD2 LEU 51 1HD2 LEU 51 -12.887 4.365 4.896 869 3HD2 LEU 51 3HD2 LEU 51 -14.347 3.800 5.704 870 H ASN 52 H ASN 52 -13.704 8.519 1.867 871 HA ASN 52 HA ASN 52 -13.273 10.110 4.206 872 1HB ASN 52 2HB ASN 52 -11.630 10.943 2.874 873 2HB ASN 52 1HB ASN 52 -12.138 9.723 1.742 874 1HD2 ASN 52 1HD2 ASN 52 -11.433 10.989 -0.109 875 2HD2 ASN 52 2HD2 ASN 52 -12.285 12.370 -0.608 876 H ASP 53 H ASP 53 -15.489 10.464 1.444 877 HA ASP 53 HA ASP 53 -16.406 13.104 1.930 878 1HB ASP 53 2HB ASP 53 -16.727 11.620 -0.104 879 2HB ASP 53 1HB ASP 53 -17.988 10.781 0.796 880 H ALA 54 H ALA 54 -17.372 9.971 3.326 881 HA ALA 54 HA ALA 54 -19.836 10.811 4.576 882 1HB ALA 54 3HB ALA 54 -18.683 8.479 4.067 883 2HB ALA 54 1HB ALA 54 -19.776 8.643 5.444 884 3HB ALA 54 2HB ALA 54 -18.028 8.687 5.693 885 H GLN 55 H GLN 55 -16.441 10.827 5.639 886 HA GLN 55 HA GLN 55 -17.043 11.758 8.363 887 1HB GLN 55 2HB GLN 55 -14.564 11.306 6.678 888 2HB GLN 55 1HB GLN 55 -14.475 11.856 8.341 889 1HG GLN 55 2HG GLN 55 -15.577 9.849 9.142 890 2HG GLN 55 1HG GLN 55 -15.901 9.321 7.488 891 1HE2 GLN 55 1HE2 GLN 55 -13.583 9.595 6.149 892 2HE2 GLN 55 2HE2 GLN 55 -12.311 8.736 6.894 893 H ALA 56 H ALA 56 -15.869 13.125 5.291 894 HA ALA 56 HA ALA 56 -16.476 15.891 6.204 895 1HB ALA 56 2HB ALA 56 -14.256 15.832 6.895 896 2HB ALA 56 3HB ALA 56 -14.029 16.301 5.208 897 3HB ALA 56 1HB ALA 56 -13.825 14.616 5.689 898 HA PRO 57 HA PRO 57 -17.569 16.202 1.886 899 1HB PRO 57 2HB PRO 57 -17.179 18.875 1.419 900 2HB PRO 57 1HB PRO 57 -18.564 18.243 2.336 901 1HG PRO 57 2HG PRO 57 -16.004 19.400 3.332 902 2HG PRO 57 1HG PRO 57 -17.658 19.677 3.902 903 1HD PRO 57 1HD PRO 57 -15.954 18.027 5.185 904 2HD PRO 57 2HD PRO 57 -17.704 17.714 5.125 905 H LYS 58 H LYS 58 -16.454 15.952 -0.053 906 HA LYS 58 HA LYS 58 -13.584 15.756 -0.092 907 1HB LYS 58 2HB LYS 58 -15.711 15.840 -2.253 908 2HB LYS 58 1HB LYS 58 -14.009 15.555 -2.613 909 1HG LYS 58 2HG LYS 58 -14.037 13.602 -1.063 910 2HG LYS 58 1HG LYS 58 -15.760 13.863 -0.802 911 1HD LYS 58 2HD LYS 58 -16.083 13.650 -3.304 912 2HD LYS 58 1HD LYS 58 -14.392 13.163 -3.414 913 1HE LYS 58 2HE LYS 58 -15.117 11.035 -3.045 914 2HE LYS 58 1HE LYS 58 -15.432 11.539 -1.378 915 1HZ LYS 58 2HZ LYS 58 -17.607 12.443 -2.215 916 2HZ LYS 58 1HZ LYS 58 -17.307 11.632 -3.679 917 3HZ LYS 58 3HZ LYS 58 -17.479 10.751 -2.241 No H/Q in entry = 917 Start of MODEL 25 1 H1 VAL 1 3H VAL 1 -3.677 -18.785 1.800 2 H2 VAL 1 2H VAL 1 -5.004 -19.846 1.778 3 H3 VAL 1 1H VAL 1 -5.237 -18.200 2.108 4 HA VAL 1 HA VAL 1 -5.377 -19.264 4.196 5 HB VAL 1 HB VAL 1 -3.388 -20.765 4.881 6 1HG1 VAL 1 2HG1 VAL 1 -5.732 -21.485 4.113 7 2HG1 VAL 1 1HG1 VAL 1 -4.978 -21.869 2.567 8 3HG1 VAL 1 3HG1 VAL 1 -4.453 -22.695 4.033 9 1HG2 VAL 1 3HG2 VAL 1 -1.871 -20.073 3.007 10 2HG2 VAL 1 2HG2 VAL 1 -2.114 -21.816 3.079 11 3HG2 VAL 1 1HG2 VAL 1 -2.967 -20.859 1.869 12 H ASP 2 H ASP 2 -4.913 -17.733 5.700 13 HA ASP 2 HA ASP 2 -2.572 -15.950 5.327 14 1HB ASP 2 2HB ASP 2 -5.106 -15.972 6.967 15 2HB ASP 2 1HB ASP 2 -3.806 -14.856 7.382 16 H ASN 3 H ASN 3 -0.734 -17.052 6.053 17 HA ASN 3 HA ASN 3 -0.795 -18.372 8.734 18 1HB ASN 3 2HB ASN 3 1.137 -18.373 6.390 19 2HB ASN 3 1HB ASN 3 1.494 -19.171 7.921 20 1HD2 ASN 3 1HD2 ASN 3 -0.313 -19.451 4.935 21 2HD2 ASN 3 2HD2 ASN 3 -1.043 -20.940 5.293 22 H LYS 4 H LYS 4 1.641 -16.372 6.995 23 HA LYS 4 HA LYS 4 1.795 -14.508 9.294 24 1HB LYS 4 2HB LYS 4 4.245 -14.875 9.520 25 2HB LYS 4 1HB LYS 4 3.328 -16.331 9.885 26 1HG LYS 4 2HG LYS 4 3.780 -17.133 7.548 27 2HG LYS 4 1HG LYS 4 4.800 -15.715 7.303 28 1HD LYS 4 2HD LYS 4 6.189 -16.424 9.250 29 2HD LYS 4 1HD LYS 4 5.223 -17.895 9.366 30 1HE LYS 4 2HE LYS 4 6.308 -17.309 6.660 31 2HE LYS 4 1HE LYS 4 7.511 -17.735 7.891 32 1HZ LYS 4 2HZ LYS 4 5.025 -19.268 7.301 33 2HZ LYS 4 1HZ LYS 4 6.593 -19.720 6.832 34 3HZ LYS 4 3HZ LYS 4 6.185 -19.673 8.478 35 H PHE 5 H PHE 5 3.226 -15.344 6.094 36 HA PHE 5 HA PHE 5 4.245 -12.755 5.513 37 1HB PHE 5 2HB PHE 5 3.402 -15.078 3.767 38 2HB PHE 5 1HB PHE 5 4.226 -13.653 3.142 39 HD1 PHE 5 HD1 PHE 5 5.876 -13.446 5.953 40 HD2 PHE 5 HD2 PHE 5 5.300 -16.466 2.945 41 HE1 PHE 5 HE1 PHE 5 8.054 -14.451 6.547 42 HE2 PHE 5 HE2 PHE 5 7.482 -17.473 3.551 43 HZ PHE 5 HZ PHE 5 8.856 -16.467 5.354 44 H ASN 6 H ASN 6 0.962 -14.058 5.187 45 HA ASN 6 HA ASN 6 -0.131 -12.332 3.231 46 1HB ASN 6 2HB ASN 6 -1.129 -13.797 5.639 47 2HB ASN 6 1HB ASN 6 -2.200 -12.589 4.933 48 1HD2 ASN 6 1HD2 ASN 6 -0.164 -15.403 3.903 49 2HD2 ASN 6 2HD2 ASN 6 -1.220 -15.887 2.668 50 H LYS 7 H LYS 7 -0.471 -11.737 6.786 51 HA LYS 7 HA LYS 7 -1.113 -8.946 6.480 52 1HB LYS 7 2HB LYS 7 -1.804 -10.231 8.376 53 2HB LYS 7 1HB LYS 7 -0.124 -10.546 8.843 54 1HG LYS 7 2HG LYS 7 -0.883 -8.782 10.255 55 2HG LYS 7 1HG LYS 7 0.072 -7.982 9.008 56 1HD LYS 7 2HD LYS 7 -1.915 -6.727 9.123 57 2HD LYS 7 1HD LYS 7 -2.090 -7.758 7.703 58 1HE LYS 7 2HE LYS 7 -3.141 -9.357 9.708 59 2HE LYS 7 1HE LYS 7 -3.665 -7.736 10.201 60 1HZ LYS 7 2HZ LYS 7 -3.934 -8.800 7.433 61 2HZ LYS 7 1HZ LYS 7 -5.185 -8.815 8.581 62 3HZ LYS 7 3HZ LYS 7 -4.563 -7.338 8.034 63 H GLU 8 H GLU 8 1.955 -10.623 6.841 64 HA GLU 8 HA GLU 8 3.669 -8.430 7.549 65 1HB GLU 8 2HB GLU 8 3.907 -11.142 6.322 66 2HB GLU 8 1HB GLU 8 5.238 -10.036 6.010 67 1HG GLU 8 2HG GLU 8 5.592 -9.693 8.373 68 2HG GLU 8 1HG GLU 8 4.164 -10.668 8.767 69 H GLN 9 H GLN 9 2.636 -9.777 4.420 70 HA GLN 9 HA GLN 9 4.066 -7.965 2.775 71 1HB GLN 9 2HB GLN 9 1.636 -9.698 2.355 72 2HB GLN 9 1HB GLN 9 2.361 -8.742 1.069 73 1HG GLN 9 2HG GLN 9 4.434 -9.943 1.221 74 2HG GLN 9 1HG GLN 9 3.900 -10.792 2.671 75 1HE2 GLN 9 1HE2 GLN 9 3.461 -10.588 -0.856 76 2HE2 GLN 9 2HE2 GLN 9 2.583 -12.034 -0.998 77 H GLN 10 H GLN 10 0.631 -7.956 3.925 78 HA GLN 10 HA GLN 10 0.059 -5.363 2.722 79 1HB GLN 10 2HB GLN 10 -1.706 -5.347 4.705 80 2HB GLN 10 1HB GLN 10 -1.983 -6.132 3.197 81 1HG GLN 10 2HG GLN 10 -0.678 -7.954 5.015 82 2HG GLN 10 1HG GLN 10 -2.076 -7.256 5.770 83 1HE2 GLN 10 1HE2 GLN 10 -2.756 -9.698 5.536 84 2HE2 GLN 10 2HE2 GLN 10 -3.584 -10.095 4.112 85 H ASN 11 H ASN 11 1.443 -6.321 5.830 86 HA ASN 11 HA ASN 11 1.349 -3.714 7.063 87 1HB ASN 11 2HB ASN 11 2.763 -6.311 7.420 88 2HB ASN 11 1HB ASN 11 3.654 -4.916 8.017 89 1HD2 ASN 11 1HD2 ASN 11 3.183 -4.403 10.153 90 2HD2 ASN 11 2HD2 ASN 11 1.715 -4.738 10.935 91 H ALA 12 H ALA 12 3.796 -5.428 5.116 92 HA ALA 12 HA ALA 12 5.695 -3.257 4.909 93 1HB ALA 12 3HB ALA 12 5.155 -5.924 3.628 94 2HB ALA 12 1HB ALA 12 6.605 -5.358 4.475 95 3HB ALA 12 2HB ALA 12 6.280 -4.814 2.825 96 H PHE 13 H PHE 13 3.127 -4.515 2.780 97 HA PHE 13 HA PHE 13 3.376 -2.825 0.514 98 1HB PHE 13 2HB PHE 13 1.874 -4.782 0.563 99 2HB PHE 13 1HB PHE 13 0.997 -4.119 1.927 100 HD1 PHE 13 HD1 PHE 13 2.105 -2.533 -1.268 101 HD2 PHE 13 HD2 PHE 13 -1.182 -3.680 1.230 102 HE1 PHE 13 HE1 PHE 13 0.528 -1.528 -2.876 103 HE2 PHE 13 HE2 PHE 13 -2.754 -2.659 -0.367 104 HZ PHE 13 HZ PHE 13 -1.902 -1.593 -2.408 105 H TYR 14 H TYR 14 1.214 -2.484 3.319 106 HA TYR 14 HA TYR 14 0.170 0.080 2.879 107 1HB TYR 14 2HB TYR 14 -0.526 -1.581 4.545 108 2HB TYR 14 1HB TYR 14 0.942 -1.265 5.468 109 HD1 TYR 14 HD1 TYR 14 1.217 0.757 6.739 110 HD2 TYR 14 HD2 TYR 14 -2.262 0.180 4.279 111 HE1 TYR 14 HE1 TYR 14 0.105 2.667 7.849 112 HE2 TYR 14 HE2 TYR 14 -3.353 2.013 5.382 113 HH TYR 14 HH TYR 14 -3.139 3.239 7.728 114 H GLU 15 H GLU 15 3.045 -0.788 4.931 115 HA GLU 15 HA GLU 15 3.803 1.902 5.530 116 1HB GLU 15 2HB GLU 15 5.340 -0.700 5.376 117 2HB GLU 15 1HB GLU 15 6.066 0.803 5.947 118 1HG GLU 15 2HG GLU 15 3.611 -0.529 7.143 119 2HG GLU 15 1HG GLU 15 5.228 -0.544 7.843 120 H ILE 16 H ILE 16 4.795 -0.242 2.802 121 HA ILE 16 HA ILE 16 6.673 1.527 1.551 122 HB ILE 16 HB ILE 16 4.858 -0.728 0.756 123 1HG1 ILE 16 2HG1 ILE 16 7.691 -0.522 -0.100 124 2HG1 ILE 16 1HG1 ILE 16 7.423 -0.525 1.639 125 1HG2 ILE 16 1HG2 ILE 16 6.150 1.125 -1.240 126 2HG2 ILE 16 3HG2 ILE 16 5.755 -0.552 -1.623 127 3HG2 ILE 16 2HG2 ILE 16 4.473 0.576 -1.187 128 1HD1 ILE 16 1HD1 ILE 16 5.858 -2.529 0.139 129 2HD1 ILE 16 3HD1 ILE 16 7.619 -2.778 0.130 130 3HD1 ILE 16 2HD1 ILE 16 6.750 -2.681 1.661 131 H LEU 17 H LEU 17 3.131 1.255 1.149 132 HA LEU 17 HA LEU 17 2.786 3.507 -0.652 133 1HB LEU 17 2HB LEU 17 0.914 2.180 1.338 134 2HB LEU 17 1HB LEU 17 0.409 3.318 0.098 135 HG LEU 17 HG LEU 17 1.989 1.103 -0.989 136 1HD1 LEU 17 3HD1 LEU 17 -0.031 0.498 0.952 137 2HD1 LEU 17 2HD1 LEU 17 -0.611 0.047 -0.661 138 3HD1 LEU 17 1HD1 LEU 17 0.905 -0.606 -0.048 139 1HD2 LEU 17 3HD2 LEU 17 0.265 2.902 -1.987 140 2HD2 LEU 17 2HD2 LEU 17 0.527 1.299 -2.717 141 3HD2 LEU 17 1HD2 LEU 17 -0.862 1.558 -1.629 142 H HIS 18 H HIS 18 2.639 3.218 2.918 143 HA HIS 18 HA HIS 18 1.859 6.037 3.274 144 1HB HIS 18 2HB HIS 18 2.357 3.666 5.087 145 2HB HIS 18 1HB HIS 18 2.006 5.267 5.732 146 HD1 HIS 18 HD1 HIS 18 -0.424 6.123 5.546 147 HD2 HIS 18 HD2 HIS 18 0.098 2.425 3.726 148 HE1 HIS 18 HE1 HIS 18 -2.715 5.192 4.935 149 H LEU 19 H LEU 19 4.918 4.685 2.711 150 HA LEU 19 HA LEU 19 6.476 6.000 4.772 151 1HB LEU 19 2HB LEU 19 6.972 4.658 2.142 152 2HB LEU 19 1HB LEU 19 8.247 5.709 2.755 153 HG LEU 19 HG LEU 19 6.978 3.484 4.385 154 1HD1 LEU 19 2HD1 LEU 19 9.417 3.509 2.611 155 2HD1 LEU 19 1HD1 LEU 19 9.304 2.410 3.988 156 3HD1 LEU 19 3HD1 LEU 19 8.122 2.319 2.680 157 1HD2 LEU 19 1HD2 LEU 19 8.505 5.669 5.182 158 2HD2 LEU 19 3HD2 LEU 19 8.256 4.186 6.101 159 3HD2 LEU 19 2HD2 LEU 19 9.677 4.359 5.071 160 HA PRO 20 HA PRO 20 5.799 10.159 3.332 161 1HB PRO 20 2HB PRO 20 7.746 11.383 4.833 162 2HB PRO 20 1HB PRO 20 6.171 10.869 5.472 163 1HG PRO 20 2HG PRO 20 8.808 9.471 5.602 164 2HG PRO 20 1HG PRO 20 7.597 9.706 6.874 165 1HD PRO 20 1HD PRO 20 7.797 7.382 5.570 166 2HD PRO 20 2HD PRO 20 6.215 8.034 6.058 167 H ASN 21 H ASN 21 8.954 8.549 2.896 168 HA ASN 21 HA ASN 21 9.673 10.721 0.953 169 1HB ASN 21 2HB ASN 21 11.351 8.831 2.615 170 2HB ASN 21 1HB ASN 21 12.023 9.883 1.368 171 1HD2 ASN 21 1HD2 ASN 21 10.920 9.791 4.668 172 2HD2 ASN 21 2HD2 ASN 21 11.079 11.448 4.983 173 H LEU 22 H LEU 22 8.219 7.779 0.823 174 HA LEU 22 HA LEU 22 9.853 6.627 -1.357 175 1HB LEU 22 2HB LEU 22 7.393 5.812 0.192 176 2HB LEU 22 1HB LEU 22 7.733 5.034 -1.347 177 HG LEU 22 HG LEU 22 9.219 4.839 1.249 178 1HD1 LEU 22 1HD1 LEU 22 8.428 2.995 -1.007 179 2HD1 LEU 22 3HD1 LEU 22 9.516 2.480 0.288 180 3HD1 LEU 22 2HD1 LEU 22 7.861 2.968 0.664 181 1HD2 LEU 22 2HD2 LEU 22 10.497 4.617 -1.489 182 2HD2 LEU 22 1HD2 LEU 22 10.993 5.674 -0.146 183 3HD2 LEU 22 3HD2 LEU 22 11.194 3.920 -0.024 184 H ASN 23 H ASN 23 9.323 6.765 -3.483 185 HA ASN 23 HA ASN 23 7.061 8.598 -4.201 186 1HB ASN 23 2HB ASN 23 8.355 8.741 -6.411 187 2HB ASN 23 1HB ASN 23 9.124 9.454 -5.012 188 1HD2 ASN 23 1HD2 ASN 23 11.185 8.595 -4.374 189 2HD2 ASN 23 2HD2 ASN 23 11.922 7.281 -5.159 190 H GLU 24 H GLU 24 6.421 7.994 -6.688 191 HA GLU 24 HA GLU 24 4.872 5.589 -6.486 192 1HB GLU 24 2HB GLU 24 4.373 7.595 -7.906 193 2HB GLU 24 1HB GLU 24 5.710 7.147 -8.966 194 1HG GLU 24 2HG GLU 24 4.585 4.949 -9.385 195 2HG GLU 24 1HG GLU 24 3.223 5.497 -8.415 196 H GLU 25 H GLU 25 8.048 6.206 -8.039 197 HA GLU 25 HA GLU 25 8.264 3.636 -9.358 198 1HB GLU 25 2HB GLU 25 9.588 5.686 -9.886 199 2HB GLU 25 1HB GLU 25 10.412 5.536 -8.338 200 1HG GLU 25 2HG GLU 25 11.160 3.224 -9.060 201 2HG GLU 25 1HG GLU 25 10.519 3.592 -10.661 202 H GLN 26 H GLN 26 9.595 4.834 -6.231 203 HA GLN 26 HA GLN 26 10.762 2.296 -5.422 204 1HB GLN 26 2HB GLN 26 10.309 5.006 -4.337 205 2HB GLN 26 1HB GLN 26 10.362 3.733 -3.122 206 1HG GLN 26 2HG GLN 26 12.618 4.613 -3.504 207 2HG GLN 26 1HG GLN 26 12.515 2.942 -4.047 208 1HE2 GLN 26 1HE2 GLN 26 13.172 2.538 -6.182 209 2HE2 GLN 26 2HE2 GLN 26 13.395 3.737 -7.362 210 H ARG 27 H ARG 27 7.756 3.962 -4.426 211 HA ARG 27 HA ARG 27 6.789 2.008 -2.601 212 1HB ARG 27 2HB ARG 27 6.007 4.381 -3.033 213 2HB ARG 27 1HB ARG 27 5.217 3.802 -4.491 214 1HG ARG 27 2HG ARG 27 4.397 2.122 -2.347 215 2HG ARG 27 1HG ARG 27 4.241 3.788 -1.815 216 1HD ARG 27 2HD ARG 27 2.940 2.489 -4.229 217 2HD ARG 27 1HD ARG 27 2.147 3.276 -2.855 218 HE ARG 27 HE ARG 27 3.365 5.417 -3.688 219 1HH1 ARG 27 1HH1 ARG 27 1.759 6.400 -5.304 220 2HH1 ARG 27 2HH1 ARG 27 1.924 5.789 -6.911 221 1HH2 ARG 27 1HH2 ARG 27 3.909 3.096 -5.980 222 2HH2 ARG 27 2HH2 ARG 27 3.150 3.916 -7.295 223 H ASN 28 H ASN 28 6.051 2.399 -6.128 224 HA ASN 28 HA ASN 28 4.259 0.143 -6.368 225 1HB ASN 28 2HB ASN 28 4.472 2.164 -7.850 226 2HB ASN 28 1HB ASN 28 5.969 1.500 -8.451 227 1HD2 ASN 28 1HD2 ASN 28 4.059 1.960 -10.337 228 2HD2 ASN 28 2HD2 ASN 28 3.323 0.520 -10.844 229 H ALA 29 H ALA 29 7.758 0.522 -7.075 230 HA ALA 29 HA ALA 29 8.306 -2.057 -8.171 231 1HB ALA 29 1HB ALA 29 9.786 0.011 -7.892 232 2HB ALA 29 2HB ALA 29 10.560 -1.545 -7.583 233 3HB ALA 29 3HB ALA 29 10.043 -0.530 -6.231 234 H PHE 30 H PHE 30 8.122 -0.911 -4.818 235 HA PHE 30 HA PHE 30 8.933 -3.323 -3.514 236 1HB PHE 30 2HB PHE 30 7.338 -0.868 -2.823 237 2HB PHE 30 1HB PHE 30 7.482 -2.187 -1.661 238 HD1 PHE 30 HD1 PHE 30 8.677 0.727 -1.566 239 HD2 PHE 30 HD2 PHE 30 10.279 -3.104 -2.624 240 HE1 PHE 30 HE1 PHE 30 10.934 1.462 -0.877 241 HE2 PHE 30 HE2 PHE 30 12.505 -2.374 -1.951 242 HZ PHE 30 HZ PHE 30 12.838 -0.138 -1.068 243 H ILE 31 H ILE 31 5.773 -2.059 -4.429 244 HA ILE 31 HA ILE 31 4.250 -4.270 -3.386 245 HB ILE 31 HB ILE 31 3.754 -2.208 -5.548 246 1HG1 ILE 31 2HG1 ILE 31 2.676 -2.304 -2.759 247 2HG1 ILE 31 1HG1 ILE 31 4.246 -1.593 -3.069 248 1HG2 ILE 31 1HG2 ILE 31 2.217 -4.504 -4.711 249 2HG2 ILE 31 3HG2 ILE 31 1.369 -2.996 -4.394 250 3HG2 ILE 31 2HG2 ILE 31 1.915 -3.374 -6.022 251 1HD1 ILE 31 2HD1 ILE 31 1.685 -0.768 -4.451 252 2HD1 ILE 31 1HD1 ILE 31 2.397 0.061 -3.048 253 3HD1 ILE 31 3HD1 ILE 31 3.279 0.015 -4.576 254 H GLN 32 H GLN 32 6.077 -3.751 -6.422 255 HA GLN 32 HA GLN 32 4.983 -6.083 -7.801 256 1HB GLN 32 2HB GLN 32 7.464 -4.359 -8.131 257 2HB GLN 32 1HB GLN 32 7.060 -5.669 -9.241 258 1HG GLN 32 2HG GLN 32 4.926 -4.611 -9.783 259 2HG GLN 32 1HG GLN 32 5.218 -3.342 -8.599 260 1HE2 GLN 32 1HE2 GLN 32 6.208 -4.567 -11.788 261 2HE2 GLN 32 2HE2 GLN 32 7.064 -3.174 -12.243 262 H SER 33 H SER 33 7.988 -5.464 -5.919 263 HA SER 33 HA SER 33 8.968 -8.203 -5.980 264 1HB SER 33 2HB SER 33 10.451 -7.290 -4.151 265 2HB SER 33 1HB SER 33 10.484 -6.382 -5.658 266 HG SER 33 HG SER 33 10.100 -4.808 -4.275 267 H LEU 34 H LEU 34 6.781 -6.428 -3.885 268 HA LEU 34 HA LEU 34 6.760 -8.361 -1.691 269 1HB LEU 34 2HB LEU 34 6.471 -5.884 -1.531 270 2HB LEU 34 1HB LEU 34 4.962 -6.021 -2.419 271 HG LEU 34 HG LEU 34 4.242 -7.639 -0.529 272 1HD1 LEU 34 1HD1 LEU 34 6.675 -6.316 0.639 273 2HD1 LEU 34 3HD1 LEU 34 5.375 -6.963 1.640 274 3HD1 LEU 34 2HD1 LEU 34 6.285 -8.035 0.575 275 1HD2 LEU 34 1HD2 LEU 34 3.821 -5.001 -0.947 276 2HD2 LEU 34 3HD2 LEU 34 3.158 -5.877 0.430 277 3HD2 LEU 34 2HD2 LEU 34 4.631 -4.929 0.618 278 H LYS 35 H LYS 35 4.437 -7.470 -4.322 279 HA LYS 35 HA LYS 35 2.403 -9.375 -3.577 280 1HB LYS 35 2HB LYS 35 3.028 -7.634 -5.931 281 2HB LYS 35 1HB LYS 35 1.907 -8.934 -6.205 282 1HG LYS 35 2HG LYS 35 1.030 -7.882 -3.819 283 2HG LYS 35 1HG LYS 35 1.486 -6.467 -4.770 284 1HD LYS 35 2HD LYS 35 -0.151 -6.826 -6.331 285 2HD LYS 35 1HD LYS 35 -0.042 -8.581 -6.200 286 1HE LYS 35 2HE LYS 35 -1.005 -7.340 -3.714 287 2HE LYS 35 1HE LYS 35 -2.067 -7.022 -5.096 288 1HZ LYS 35 3HZ LYS 35 -0.995 -9.702 -4.361 289 2HZ LYS 35 2HZ LYS 35 -2.565 -9.156 -4.006 290 3HZ LYS 35 1HZ LYS 35 -2.083 -9.366 -5.622 291 H ASP 36 H ASP 36 5.282 -9.641 -5.655 292 HA ASP 36 HA ASP 36 4.568 -12.378 -6.515 293 1HB ASP 36 2HB ASP 36 6.946 -10.551 -6.982 294 2HB ASP 36 1HB ASP 36 6.811 -12.160 -7.683 295 H ASP 37 H ASP 37 6.799 -10.835 -4.157 296 HA ASP 37 HA ASP 37 7.621 -13.586 -3.257 297 1HB ASP 37 2HB ASP 37 9.300 -11.843 -4.289 298 2HB ASP 37 1HB ASP 37 9.204 -11.082 -2.701 299 HA PRO 38 HA PRO 38 5.190 -12.043 0.290 300 1HB PRO 38 2HB PRO 38 4.800 -14.517 1.396 301 2HB PRO 38 1HB PRO 38 3.818 -13.882 0.062 302 1HG PRO 38 2HG PRO 38 6.132 -15.758 -0.036 303 2HG PRO 38 1HG PRO 38 4.579 -15.835 -0.888 304 1HD PRO 38 1HD PRO 38 6.812 -14.958 -2.091 305 2HD PRO 38 2HD PRO 38 5.207 -14.289 -2.463 306 H SER 39 H SER 39 7.875 -14.425 0.471 307 HA SER 39 HA SER 39 8.452 -14.095 3.272 308 1HB SER 39 2HB SER 39 9.148 -15.962 1.706 309 2HB SER 39 1HB SER 39 10.349 -14.862 1.034 310 HG SER 39 HG SER 39 10.297 -16.198 3.450 311 H GLN 40 H GLN 40 9.657 -12.320 0.404 312 HA GLN 40 HA GLN 40 11.700 -10.849 1.893 313 1HB GLN 40 2HB GLN 40 11.510 -11.444 -0.643 314 2HB GLN 40 1HB GLN 40 10.454 -10.034 -0.741 315 1HG GLN 40 2HG GLN 40 12.289 -8.681 0.328 316 2HG GLN 40 1HG GLN 40 13.341 -10.087 0.176 317 1HE2 GLN 40 1HE2 GLN 40 14.417 -10.327 -1.822 318 2HE2 GLN 40 2HE2 GLN 40 14.020 -9.468 -3.230 319 H SER 41 H SER 41 8.302 -10.548 1.951 320 HA SER 41 HA SER 41 7.757 -7.839 1.605 321 1HB SER 41 2HB SER 41 5.831 -8.275 3.107 322 2HB SER 41 1HB SER 41 6.100 -9.631 2.021 323 HG SER 41 HG SER 41 6.484 -10.835 3.702 324 H ALA 42 H ALA 42 8.776 -9.256 4.818 325 HA ALA 42 HA ALA 42 8.745 -6.743 6.215 326 1HB ALA 42 3HB ALA 42 10.629 -9.089 6.471 327 2HB ALA 42 1HB ALA 42 9.051 -8.960 7.257 328 3HB ALA 42 2HB ALA 42 10.352 -7.850 7.697 329 H ASN 43 H ASN 43 11.427 -8.411 4.508 330 HA ASN 43 HA ASN 43 13.484 -6.461 4.803 331 1HB ASN 43 2HB ASN 43 12.749 -8.644 2.916 332 2HB ASN 43 1HB ASN 43 13.951 -7.476 2.352 333 1HD2 ASN 43 1HD2 ASN 43 15.782 -7.060 4.119 334 2HD2 ASN 43 2HD2 ASN 43 16.337 -8.436 4.941 335 H LEU 44 H LEU 44 10.836 -6.804 2.457 336 HA LEU 44 HA LEU 44 11.565 -4.674 0.693 337 1HB LEU 44 2HB LEU 44 9.043 -6.142 1.380 338 2HB LEU 44 1HB LEU 44 9.018 -4.796 0.236 339 HG LEU 44 HG LEU 44 10.836 -7.195 0.056 340 1HD1 LEU 44 1HD1 LEU 44 8.195 -7.201 -0.380 341 2HD1 LEU 44 3HD1 LEU 44 8.742 -6.615 -1.953 342 3HD1 LEU 44 2HD1 LEU 44 9.323 -8.167 -1.337 343 1HD2 LEU 44 1HD2 LEU 44 10.867 -4.527 -1.090 344 2HD2 LEU 44 3HD2 LEU 44 12.028 -5.859 -1.273 345 3HD2 LEU 44 2HD2 LEU 44 10.639 -5.771 -2.367 346 H LEU 45 H LEU 45 9.470 -4.800 3.579 347 HA LEU 45 HA LEU 45 8.863 -1.960 3.374 348 1HB LEU 45 2HB LEU 45 7.451 -3.306 4.699 349 2HB LEU 45 1HB LEU 45 8.795 -3.984 5.609 350 HG LEU 45 HG LEU 45 9.206 -1.884 6.709 351 1HD1 LEU 45 1HD1 LEU 45 7.245 -0.789 4.677 352 2HD1 LEU 45 3HD1 LEU 45 7.657 0.088 6.146 353 3HD1 LEU 45 2HD1 LEU 45 8.909 -0.275 4.963 354 1HD2 LEU 45 3HD2 LEU 45 7.278 -3.315 7.466 355 2HD2 LEU 45 2HD2 LEU 45 7.157 -1.619 7.940 356 3HD2 LEU 45 1HD2 LEU 45 6.204 -2.229 6.587 357 H ALA 46 H ALA 46 11.302 -3.880 5.227 358 HA ALA 46 HA ALA 46 12.674 -1.734 6.521 359 1HB ALA 46 3HB ALA 46 13.407 -4.420 5.340 360 2HB ALA 46 2HB ALA 46 14.704 -3.357 5.904 361 3HB ALA 46 1HB ALA 46 13.450 -3.897 7.034 362 H GLU 47 H GLU 47 13.214 -3.039 3.177 363 HA GLU 47 HA GLU 47 15.323 -1.139 2.626 364 1HB GLU 47 2HB GLU 47 15.083 -1.929 0.283 365 2HB GLU 47 1HB GLU 47 15.258 -3.245 1.433 366 1HG GLU 47 2HG GLU 47 12.744 -3.399 1.377 367 2HG GLU 47 1HG GLU 47 12.827 -2.333 -0.021 368 H ALA 48 H ALA 48 11.753 -1.171 2.168 369 HA ALA 48 HA ALA 48 11.631 1.329 0.727 370 1HB ALA 48 3HB ALA 48 9.944 -0.607 1.250 371 2HB ALA 48 2HB ALA 48 9.627 0.310 2.728 372 3HB ALA 48 1HB ALA 48 9.329 1.042 1.141 373 H LYS 49 H LYS 49 11.755 0.427 4.178 374 HA LYS 49 HA LYS 49 11.365 3.022 5.391 375 1HB LYS 49 2HB LYS 49 12.706 0.411 6.160 376 2HB LYS 49 1HB LYS 49 12.587 1.729 7.298 377 1HG LYS 49 2HG LYS 49 10.307 0.243 5.993 378 2HG LYS 49 1HG LYS 49 10.786 0.143 7.678 379 1HD LYS 49 2HD LYS 49 10.365 2.672 7.750 380 2HD LYS 49 1HD LYS 49 9.531 2.440 6.210 381 1HE LYS 49 2HE LYS 49 7.727 1.516 7.218 382 2HE LYS 49 1HE LYS 49 8.748 0.438 8.190 383 1HZ LYS 49 1HZ LYS 49 8.312 3.338 8.733 384 2HZ LYS 49 3HZ LYS 49 7.552 2.072 9.567 385 3HZ LYS 49 2HZ LYS 49 9.237 2.266 9.679 386 H LYS 50 H LYS 50 14.067 1.070 4.324 387 HA LYS 50 HA LYS 50 16.301 2.695 5.056 388 1HB LYS 50 2HB LYS 50 16.649 0.412 4.559 389 2HB LYS 50 1HB LYS 50 15.594 0.475 3.168 390 1HG LYS 50 2HG LYS 50 17.490 2.070 2.203 391 2HG LYS 50 1HG LYS 50 18.481 1.188 3.367 392 1HD LYS 50 2HD LYS 50 16.637 -0.209 1.392 393 2HD LYS 50 1HD LYS 50 18.337 0.134 1.040 394 1HE LYS 50 2HE LYS 50 18.953 -1.133 3.150 395 2HE LYS 50 1HE LYS 50 17.249 -1.613 3.285 396 1HZ LYS 50 1HZ LYS 50 17.380 -2.482 1.002 397 2HZ LYS 50 3HZ LYS 50 19.032 -2.099 0.946 398 3HZ LYS 50 2HZ LYS 50 18.469 -3.271 2.037 399 H LEU 51 H LEU 51 14.241 2.508 2.144 400 HA LEU 51 HA LEU 51 15.679 4.502 0.588 401 1HB LEU 51 2HB LEU 51 13.181 2.902 0.483 402 2HB LEU 51 1HB LEU 51 13.117 4.424 -0.390 403 HG LEU 51 HG LEU 51 14.745 3.778 -1.908 404 1HD1 LEU 51 2HD1 LEU 51 15.747 2.027 0.308 405 2HD1 LEU 51 1HD1 LEU 51 16.137 1.595 -1.356 406 3HD1 LEU 51 3HD1 LEU 51 16.641 3.161 -0.709 407 1HD2 LEU 51 3HD2 LEU 51 12.723 1.908 -1.295 408 2HD2 LEU 51 2HD2 LEU 51 13.566 2.113 -2.832 409 3HD2 LEU 51 1HD2 LEU 51 14.179 0.970 -1.637 410 H ASN 52 H ASN 52 12.935 4.527 2.819 411 HA ASN 52 HA ASN 52 11.922 7.137 2.431 412 1HB ASN 52 2HB ASN 52 10.961 5.252 3.784 413 2HB ASN 52 1HB ASN 52 12.191 5.551 5.007 414 1HD2 ASN 52 1HD2 ASN 52 11.748 7.159 6.544 415 2HD2 ASN 52 2HD2 ASN 52 10.437 8.232 6.448 416 H ASP 53 H ASP 53 14.598 5.996 4.532 417 HA ASP 53 HA ASP 53 15.165 8.718 5.507 418 1HB ASP 53 2HB ASP 53 16.550 6.045 5.833 419 2HB ASP 53 1HB ASP 53 17.049 7.525 6.652 420 H ALA 54 H ALA 54 16.668 6.415 3.214 421 HA ALA 54 HA ALA 54 19.036 7.981 2.661 422 1HB ALA 54 3HB ALA 54 19.273 6.408 0.805 423 2HB ALA 54 1HB ALA 54 17.564 5.980 0.911 424 3HB ALA 54 2HB ALA 54 18.668 5.537 2.215 425 H GLN 55 H GLN 55 15.950 7.614 0.860 426 HA GLN 55 HA GLN 55 16.517 9.659 -1.118 427 1HB GLN 55 2HB GLN 55 13.930 8.411 -0.148 428 2HB GLN 55 1HB GLN 55 14.075 9.419 -1.584 429 1HG GLN 55 2HG GLN 55 15.791 7.783 -2.467 430 2HG GLN 55 1HG GLN 55 15.403 6.727 -1.105 431 1HE2 GLN 55 1HE2 GLN 55 12.665 6.821 -0.914 432 2HE2 GLN 55 2HE2 GLN 55 11.934 6.331 -2.365 433 H ALA 56 H ALA 56 15.234 9.735 2.168 434 HA ALA 56 HA ALA 56 13.733 12.132 2.196 435 1HB ALA 56 2HB ALA 56 15.035 12.117 4.617 436 2HB ALA 56 3HB ALA 56 15.192 10.433 4.111 437 3HB ALA 56 1HB ALA 56 13.595 11.169 4.247 438 HA PRO 57 HA PRO 57 16.640 15.387 1.767 439 1HB PRO 57 2HB PRO 57 15.371 17.376 3.139 440 2HB PRO 57 1HB PRO 57 14.784 16.756 1.584 441 1HG PRO 57 2HG PRO 57 13.830 16.170 4.330 442 2HG PRO 57 1HG PRO 57 12.906 16.365 2.832 443 1HD PRO 57 1HD PRO 57 13.539 13.955 3.992 444 2HD PRO 57 2HD PRO 57 13.146 14.175 2.274 445 H LYS 58 H LYS 58 17.972 13.878 3.421 446 HA LYS 58 HA LYS 58 18.376 15.232 6.054 447 1HB LYS 58 2HB LYS 58 19.113 12.545 4.877 448 2HB LYS 58 1HB LYS 58 19.845 13.117 6.375 449 1HG LYS 58 2HG LYS 58 17.546 13.445 7.317 450 2HG LYS 58 1HG LYS 58 16.885 12.715 5.852 451 1HD LYS 58 2HD LYS 58 18.122 10.643 6.293 452 2HD LYS 58 1HD LYS 58 18.859 11.366 7.722 453 1HE LYS 58 2HE LYS 58 17.007 10.011 8.498 454 2HE LYS 58 1HE LYS 58 16.486 11.700 8.630 455 1HZ LYS 58 2HZ LYS 58 16.038 10.340 6.069 456 2HZ LYS 58 1HZ LYS 58 15.035 9.903 7.367 457 3HZ LYS 58 3HZ LYS 58 15.096 11.517 6.852 458 H1 VAL 1 3H VAL 1 2.655 -2.421 -19.453 459 H2 VAL 1 2H VAL 1 3.783 -1.664 -18.442 460 H3 VAL 1 1H VAL 1 3.818 -1.387 -20.116 461 HA VAL 1 HA VAL 1 4.410 -3.685 -20.551 462 HB VAL 1 HB VAL 1 6.698 -3.600 -19.445 463 1HG1 VAL 1 1HG1 VAL 1 6.047 -2.421 -21.592 464 2HG1 VAL 1 3HG1 VAL 1 5.852 -0.952 -20.637 465 3HG1 VAL 1 2HG1 VAL 1 7.429 -1.733 -20.742 466 1HG2 VAL 1 2HG2 VAL 1 5.968 -2.469 -17.330 467 2HG2 VAL 1 1HG2 VAL 1 7.302 -1.640 -18.126 468 3HG2 VAL 1 3HG2 VAL 1 5.665 -1.001 -18.256 469 H ASP 2 H ASP 2 4.052 -3.075 -17.015 470 HA ASP 2 HA ASP 2 4.488 -5.889 -16.318 471 1HB ASP 2 2HB ASP 2 3.423 -3.485 -14.792 472 2HB ASP 2 1HB ASP 2 3.784 -5.044 -14.054 473 H ASN 3 H ASN 3 2.923 -7.467 -16.092 474 HA ASN 3 HA ASN 3 0.055 -6.677 -16.516 475 1HB ASN 3 2HB ASN 3 1.406 -8.110 -18.214 476 2HB ASN 3 1HB ASN 3 1.295 -9.395 -17.012 477 1HD2 ASN 3 1HD2 ASN 3 -0.586 -10.669 -17.113 478 2HD2 ASN 3 2HD2 ASN 3 -2.010 -10.217 -17.920 479 H LYS 4 H LYS 4 1.024 -6.446 -13.932 480 HA LYS 4 HA LYS 4 -0.257 -8.760 -12.514 481 1HB LYS 4 2HB LYS 4 2.322 -7.291 -11.873 482 2HB LYS 4 1HB LYS 4 1.546 -8.434 -10.774 483 1HG LYS 4 2HG LYS 4 1.698 -10.182 -12.562 484 2HG LYS 4 1HG LYS 4 2.593 -9.035 -13.560 485 1HD LYS 4 2HD LYS 4 4.295 -8.844 -11.734 486 2HD LYS 4 1HD LYS 4 3.432 -10.103 -10.849 487 1HE LYS 4 2HE LYS 4 3.722 -11.597 -12.895 488 2HE LYS 4 1HE LYS 4 4.822 -10.362 -13.535 489 1HZ LYS 4 3HZ LYS 4 6.048 -10.491 -11.392 490 2HZ LYS 4 2HZ LYS 4 5.074 -11.815 -10.952 491 3HZ LYS 4 1HZ LYS 4 6.111 -11.928 -12.291 492 H PHE 5 H PHE 5 -1.274 -8.183 -10.479 493 HA PHE 5 HA PHE 5 -2.610 -5.655 -10.437 494 1HB PHE 5 2HB PHE 5 -2.344 -8.040 -8.670 495 2HB PHE 5 1HB PHE 5 -3.066 -6.592 -7.997 496 HD1 PHE 5 HD1 PHE 5 -4.971 -5.458 -9.367 497 HD2 PHE 5 HD2 PHE 5 -3.651 -9.501 -9.988 498 HE1 PHE 5 HE1 PHE 5 -7.111 -5.982 -10.495 499 HE2 PHE 5 HE2 PHE 5 -5.796 -10.022 -11.119 500 HZ PHE 5 HZ PHE 5 -7.525 -8.263 -11.371 501 H ASN 6 H ASN 6 0.508 -6.510 -9.151 502 HA ASN 6 HA ASN 6 0.705 -4.739 -6.944 503 1HB ASN 6 2HB ASN 6 3.214 -4.719 -7.598 504 2HB ASN 6 1HB ASN 6 2.479 -6.253 -7.169 505 1HD2 ASN 6 1HD2 ASN 6 3.641 -7.719 -8.471 506 2HD2 ASN 6 2HD2 ASN 6 3.782 -7.589 -10.154 507 H LYS 7 H LYS 7 1.023 -4.053 -10.378 508 HA LYS 7 HA LYS 7 1.969 -1.337 -10.168 509 1HB LYS 7 2HB LYS 7 1.596 -3.129 -12.172 510 2HB LYS 7 1HB LYS 7 0.130 -2.170 -12.371 511 1HG LYS 7 2HG LYS 7 1.644 -1.028 -13.744 512 2HG LYS 7 1HG LYS 7 1.772 -0.123 -12.234 513 1HD LYS 7 2HD LYS 7 3.737 -1.504 -11.592 514 2HD LYS 7 1HD LYS 7 3.624 -2.358 -13.129 515 1HE LYS 7 2HE LYS 7 4.238 -0.436 -14.381 516 2HE LYS 7 1HE LYS 7 3.892 0.658 -13.027 517 1HZ LYS 7 3HZ LYS 7 5.662 -0.481 -11.756 518 2HZ LYS 7 2HZ LYS 7 6.043 -1.397 -13.138 519 3HZ LYS 7 1HZ LYS 7 6.255 0.286 -13.146 520 H GLU 8 H GLU 8 -1.217 -2.802 -10.086 521 HA GLU 8 HA GLU 8 -2.764 -0.363 -10.128 522 1HB GLU 8 2HB GLU 8 -3.147 -3.258 -9.765 523 2HB GLU 8 1HB GLU 8 -4.284 -2.286 -8.832 524 1HG GLU 8 2HG GLU 8 -4.977 -1.099 -10.841 525 2HG GLU 8 1HG GLU 8 -3.767 -1.954 -11.798 526 H LEU 9 H LEU 9 -1.228 -2.218 -7.539 527 HA LEU 9 HA LEU 9 -2.595 -0.838 -5.384 528 1HB LEU 9 2HB LEU 9 0.145 -2.070 -5.153 529 2HB LEU 9 1HB LEU 9 -1.065 -1.870 -3.937 530 HG LEU 9 HG LEU 9 -1.532 -3.671 -6.302 531 1HD1 LEU 9 1HD1 LEU 9 0.177 -4.049 -3.972 532 2HD1 LEU 9 3HD1 LEU 9 -1.138 -5.227 -3.993 533 3HD1 LEU 9 2HD1 LEU 9 -0.033 -5.116 -5.367 534 1HD2 LEU 9 3HD2 LEU 9 -2.831 -3.384 -3.567 535 2HD2 LEU 9 2HD2 LEU 9 -3.535 -2.856 -5.100 536 3HD2 LEU 9 1HD2 LEU 9 -3.280 -4.580 -4.783 537 H SER 10 H SER 10 0.119 -0.058 -7.450 538 HA SER 10 HA SER 10 1.393 1.889 -5.743 539 1HB SER 10 2HB SER 10 2.715 1.457 -7.543 540 2HB SER 10 1HB SER 10 1.369 1.013 -8.567 541 HG SER 10 HG SER 10 1.421 2.949 -9.384 542 H VAL 11 H VAL 11 -1.119 2.109 -8.306 543 HA VAL 11 HA VAL 11 -1.680 4.952 -7.808 544 HB VAL 11 HB VAL 11 -3.213 2.876 -9.420 545 1HG1 VAL 11 1HG1 VAL 11 -3.139 5.886 -9.359 546 2HG1 VAL 11 3HG1 VAL 11 -3.617 5.030 -10.825 547 3HG1 VAL 11 2HG1 VAL 11 -4.536 4.811 -9.337 548 1HG2 VAL 11 2HG2 VAL 11 -0.839 4.599 -10.218 549 2HG2 VAL 11 1HG2 VAL 11 -0.868 2.833 -10.118 550 3HG2 VAL 11 3HG2 VAL 11 -1.823 3.671 -11.349 551 H ALA 12 H ALA 12 -3.667 1.968 -7.526 552 HA ALA 12 HA ALA 12 -5.840 3.139 -6.088 553 1HB ALA 12 2HB ALA 12 -5.624 0.921 -7.383 554 2HB ALA 12 3HB ALA 12 -6.608 0.923 -5.918 555 3HB ALA 12 1HB ALA 12 -4.963 0.263 -5.876 556 H GLY 13 H GLY 13 -3.069 1.294 -4.915 557 1HA GLY 13 1HA GLY 13 -2.147 1.042 -2.804 558 2HA GLY 13 2HA GLY 13 -3.775 1.268 -2.168 559 H ARG 14 H ARG 14 -1.327 3.333 -3.792 560 HA ARG 14 HA ARG 14 -0.837 4.939 -1.513 561 1HB ARG 14 2HB ARG 14 0.162 4.751 -4.057 562 2HB ARG 14 1HB ARG 14 -0.592 6.341 -4.104 563 1HG ARG 14 2HG ARG 14 1.462 5.345 -2.104 564 2HG ARG 14 1HG ARG 14 1.709 6.574 -3.339 565 1HD ARG 14 2HD ARG 14 0.249 8.126 -2.214 566 2HD ARG 14 1HD ARG 14 -0.308 6.863 -1.096 567 HE ARG 14 HE ARG 14 2.196 6.690 -0.450 568 1HH1 ARG 14 1HH1 ARG 14 3.363 8.851 -1.992 569 2HH1 ARG 14 2HH1 ARG 14 3.228 10.232 -0.958 570 1HH2 ARG 14 1HH2 ARG 14 0.831 8.776 1.111 571 2HH2 ARG 14 2HH2 ARG 14 1.782 10.190 0.812 572 H GLU 15 H GLU 15 -3.312 5.456 -4.109 573 HA GLU 15 HA GLU 15 -4.200 8.054 -3.167 574 1HB GLU 15 2HB GLU 15 -5.472 5.803 -4.737 575 2HB GLU 15 1HB GLU 15 -6.358 7.279 -4.369 576 1HG GLU 15 2HG GLU 15 -4.546 8.599 -5.466 577 2HG GLU 15 1HG GLU 15 -3.750 7.088 -5.908 578 H ILE 16 H ILE 16 -5.188 4.710 -2.439 579 HA ILE 16 HA ILE 16 -7.251 5.248 -0.517 580 HB ILE 16 HB ILE 16 -5.395 2.923 -1.150 581 1HG1 ILE 16 2HG1 ILE 16 -8.405 3.137 -1.436 582 2HG1 ILE 16 1HG1 ILE 16 -7.292 3.609 -2.717 583 1HG2 ILE 16 3HG2 ILE 16 -7.310 3.226 1.105 584 2HG2 ILE 16 2HG2 ILE 16 -7.275 1.665 0.269 585 3HG2 ILE 16 1HG2 ILE 16 -5.810 2.307 1.024 586 1HD1 ILE 16 3HD1 ILE 16 -6.276 1.219 -2.363 587 2HD1 ILE 16 2HD1 ILE 16 -7.813 0.872 -1.573 588 3HD1 ILE 16 1HD1 ILE 16 -7.784 1.376 -3.264 589 H VAL 17 H VAL 17 -3.725 5.191 -0.346 590 HA VAL 17 HA VAL 17 -3.427 5.075 2.544 591 HB VAL 17 HB VAL 17 -1.691 5.653 0.146 592 1HG1 VAL 17 2HG1 VAL 17 -1.086 6.403 2.937 593 2HG1 VAL 17 1HG1 VAL 17 0.165 5.484 2.106 594 3HG1 VAL 17 3HG1 VAL 17 -0.405 7.008 1.429 595 1HG2 VAL 17 1HG2 VAL 17 -2.244 3.408 1.932 596 2HG2 VAL 17 3HG2 VAL 17 -1.534 3.436 0.299 597 3HG2 VAL 17 2HG2 VAL 17 -0.518 3.722 1.710 598 H THR 18 H THR 18 -3.413 7.770 0.136 599 HA THR 18 HA THR 18 -3.431 9.661 2.464 600 HB THR 18 HB THR 18 -1.246 9.328 1.295 601 HG1 THR 18 HG1 THR 18 -2.362 11.923 1.019 602 1HG2 THR 18 1HG2 THR 18 -2.764 9.467 -1.037 603 2HG2 THR 18 3HG2 THR 18 -1.909 11.009 -1.000 604 3HG2 THR 18 2HG2 THR 18 -1.004 9.497 -0.938 605 H LEU 19 H LEU 19 -5.875 8.832 0.793 606 HA LEU 19 HA LEU 19 -6.552 10.988 -0.999 607 1HB LEU 19 2HB LEU 19 -8.942 10.293 -0.403 608 2HB LEU 19 1HB LEU 19 -7.890 9.052 -1.062 609 HG LEU 19 HG LEU 19 -7.700 9.167 1.841 610 1HD1 LEU 19 3HD1 LEU 19 -10.380 8.926 0.507 611 2HD1 LEU 19 2HD1 LEU 19 -10.050 8.142 2.051 612 3HD1 LEU 19 1HD1 LEU 19 -9.928 9.897 1.908 613 1HD2 LEU 19 1HD2 LEU 19 -8.051 7.199 -0.369 614 2HD2 LEU 19 3HD2 LEU 19 -6.992 7.136 1.035 615 3HD2 LEU 19 2HD2 LEU 19 -8.692 6.713 1.201 616 HA PRO 20 HA PRO 20 -7.079 14.637 1.241 617 1HB PRO 20 2HB PRO 20 -9.564 15.588 0.554 618 2HB PRO 20 1HB PRO 20 -8.134 15.627 -0.498 619 1HG PRO 20 2HG PRO 20 -10.350 13.617 -0.410 620 2HG PRO 20 1HG PRO 20 -9.630 14.429 -1.813 621 1HD PRO 20 1HD PRO 20 -8.917 11.952 -1.206 622 2HD PRO 20 2HD PRO 20 -7.691 13.129 -1.730 623 H ASN 21 H ASN 21 -9.887 12.488 2.021 624 HA ASN 21 HA ASN 21 -10.095 14.034 4.621 625 1HB ASN 21 2HB ASN 21 -12.176 12.683 2.922 626 2HB ASN 21 1HB ASN 21 -12.511 13.346 4.504 627 1HD2 ASN 21 1HD2 ASN 21 -13.834 14.251 2.161 628 2HD2 ASN 21 2HD2 ASN 21 -13.384 15.867 1.880 629 H LEU 22 H LEU 22 -8.498 11.485 4.180 630 HA LEU 22 HA LEU 22 -10.149 9.637 5.873 631 1HB LEU 22 2HB LEU 22 -9.111 9.189 3.475 632 2HB LEU 22 1HB LEU 22 -7.716 8.759 4.447 633 HG LEU 22 HG LEU 22 -9.349 7.332 5.823 634 1HD1 LEU 22 2HD1 LEU 22 -11.270 8.496 4.296 635 2HD1 LEU 22 1HD1 LEU 22 -10.975 7.030 3.360 636 3HD1 LEU 22 3HD1 LEU 22 -11.460 6.915 5.051 637 1HD2 LEU 22 3HD2 LEU 22 -7.620 6.733 3.886 638 2HD2 LEU 22 2HD2 LEU 22 -8.680 5.517 4.591 639 3HD2 LEU 22 1HD2 LEU 22 -9.101 6.261 3.052 640 H ASN 23 H ASN 23 -9.100 8.390 7.455 641 HA ASN 23 HA ASN 23 -6.579 9.615 8.568 642 1HB ASN 23 2HB ASN 23 -7.452 9.152 10.807 643 2HB ASN 23 1HB ASN 23 -8.611 10.109 9.899 644 1HD2 ASN 23 1HD2 ASN 23 -9.465 8.608 12.148 645 2HD2 ASN 23 2HD2 ASN 23 -10.444 7.328 11.619 646 H ASP 24 H ASP 24 -5.247 8.055 9.892 647 HA ASP 24 HA ASP 24 -4.260 5.962 8.428 648 1HB ASP 24 2HB ASP 24 -3.084 5.252 10.448 649 2HB ASP 24 1HB ASP 24 -3.117 7.001 10.287 650 HA PRO 25 HA PRO 25 -6.726 2.483 10.656 651 1HB PRO 25 2HB PRO 25 -9.326 3.030 11.350 652 2HB PRO 25 1HB PRO 25 -7.960 3.165 12.476 653 1HG PRO 25 2HG PRO 25 -9.347 5.299 10.922 654 2HG PRO 25 1HG PRO 25 -8.797 5.310 12.606 655 1HD PRO 25 1HD PRO 25 -7.416 6.526 10.650 656 2HD PRO 25 2HD PRO 25 -6.626 5.765 12.037 657 H GLN 26 H GLN 26 -8.673 4.844 8.719 658 HA GLN 26 HA GLN 26 -10.237 2.854 7.319 659 1HB GLN 26 2HB GLN 26 -9.418 5.636 6.429 660 2HB GLN 26 1HB GLN 26 -10.816 4.734 5.864 661 1HG GLN 26 2HG GLN 26 -10.467 5.398 8.784 662 2HG GLN 26 1HG GLN 26 -11.178 6.556 7.671 663 1HE2 GLN 26 1HE2 GLN 26 -13.295 6.495 8.366 664 2HE2 GLN 26 2HE2 GLN 26 -14.270 5.107 8.359 665 H LYS 27 H LYS 27 -7.441 4.821 6.158 666 HA LYS 27 HA LYS 27 -6.995 3.552 3.683 667 1HB LYS 27 2HB LYS 27 -4.522 4.177 4.147 668 2HB LYS 27 1HB LYS 27 -5.716 5.464 4.051 669 1HG LYS 27 2HG LYS 27 -5.800 5.074 6.703 670 2HG LYS 27 1HG LYS 27 -4.191 4.442 6.406 671 1HD LYS 27 2HD LYS 27 -4.070 6.836 6.913 672 2HD LYS 27 1HD LYS 27 -3.582 6.536 5.257 673 1HE LYS 27 2HE LYS 27 -5.617 7.389 4.369 674 2HE LYS 27 1HE LYS 27 -6.425 7.315 5.943 675 1HZ LYS 27 3HZ LYS 27 -4.051 9.003 5.325 676 2HZ LYS 27 2HZ LYS 27 -5.650 9.570 5.401 677 3HZ LYS 27 1HZ LYS 27 -4.898 8.962 6.797 678 H LYS 28 H LYS 28 -5.809 2.570 6.878 679 HA LYS 28 HA LYS 28 -4.153 0.375 6.109 680 1HB LYS 28 2HB LYS 28 -5.697 1.335 8.486 681 2HB LYS 28 1HB LYS 28 -5.399 -0.395 8.484 682 1HG LYS 28 2HG LYS 28 -3.084 1.270 7.791 683 2HG LYS 28 1HG LYS 28 -3.647 1.443 9.440 684 1HD LYS 28 2HD LYS 28 -3.125 -0.722 9.995 685 2HD LYS 28 1HD LYS 28 -3.458 -1.325 8.369 686 1HE LYS 28 2HE LYS 28 -1.096 -1.508 8.579 687 2HE LYS 28 1HE LYS 28 -1.340 -0.016 7.658 688 1HZ LYS 28 2HZ LYS 28 -1.017 -0.179 10.617 689 2HZ LYS 28 1HZ LYS 28 0.184 0.325 9.529 690 3HZ LYS 28 3HZ LYS 28 -1.225 1.249 9.718 691 H ALA 29 H ALA 29 -7.657 0.538 6.911 692 HA ALA 29 HA ALA 29 -8.357 -2.195 6.735 693 1HB ALA 29 1HB ALA 29 -10.605 -1.369 6.677 694 2HB ALA 29 3HB ALA 29 -9.672 -0.202 7.613 695 3HB ALA 29 2HB ALA 29 -10.098 0.149 5.939 696 H PHE 30 H PHE 30 -8.663 0.272 4.053 697 HA PHE 30 HA PHE 30 -9.383 -1.920 2.237 698 1HB PHE 30 2HB PHE 30 -8.621 0.366 0.693 699 2HB PHE 30 1HB PHE 30 -10.194 -0.361 0.876 700 HD1 PHE 30 HD1 PHE 30 -7.864 2.067 2.401 701 HD2 PHE 30 HD2 PHE 30 -11.938 0.815 1.972 702 HE1 PHE 30 HE1 PHE 30 -8.642 4.199 3.381 703 HE2 PHE 30 HE2 PHE 30 -12.703 2.924 2.970 704 HZ PHE 30 HZ PHE 30 -11.057 4.634 3.679 705 H ILE 31 H ILE 31 -6.318 -0.257 3.029 706 HA ILE 31 HA ILE 31 -4.906 -1.121 0.674 707 HB ILE 31 HB ILE 31 -4.092 -0.291 3.436 708 1HG1 ILE 31 2HG1 ILE 31 -4.385 0.840 0.751 709 2HG1 ILE 31 1HG1 ILE 31 -4.198 1.678 2.293 710 1HG2 ILE 31 1HG2 ILE 31 -2.544 -2.195 2.624 711 2HG2 ILE 31 3HG2 ILE 31 -2.106 -1.134 1.276 712 3HG2 ILE 31 2HG2 ILE 31 -1.741 -0.662 2.929 713 1HD1 ILE 31 3HD1 ILE 31 -1.882 0.386 0.895 714 2HD1 ILE 31 2HD1 ILE 31 -2.412 2.011 0.510 715 3HD1 ILE 31 1HD1 ILE 31 -1.868 1.630 2.154 716 H PHE 32 H PHE 32 -5.165 -2.616 3.916 717 HA PHE 32 HA PHE 32 -3.600 -4.924 3.306 718 1HB PHE 32 2HB PHE 32 -5.631 -4.141 5.375 719 2HB PHE 32 1HB PHE 32 -5.097 -5.813 5.313 720 HD1 PHE 32 HD1 PHE 32 -3.297 -6.371 6.727 721 HD2 PHE 32 HD2 PHE 32 -3.395 -2.329 5.023 722 HE1 PHE 32 HE1 PHE 32 -1.199 -5.810 7.812 723 HE2 PHE 32 HE2 PHE 32 -1.317 -1.856 6.182 724 HZ PHE 32 HZ PHE 32 -0.214 -3.590 7.526 725 H SER 33 H SER 33 -7.105 -4.267 2.812 726 HA SER 33 HA SER 33 -7.661 -6.972 1.798 727 1HB SER 33 2HB SER 33 -9.844 -5.992 1.222 728 2HB SER 33 1HB SER 33 -9.379 -5.505 2.843 729 HG SER 33 HG SER 33 -10.174 -3.792 1.476 730 H LEU 34 H LEU 34 -6.700 -3.831 0.407 731 HA LEU 34 HA LEU 34 -7.022 -4.371 -2.406 732 1HB LEU 34 2HB LEU 34 -6.561 -2.138 -1.385 733 2HB LEU 34 1HB LEU 34 -4.981 -2.683 -0.882 734 HG LEU 34 HG LEU 34 -4.694 -3.161 -3.455 735 1HD1 LEU 34 3HD1 LEU 34 -7.176 -1.590 -3.305 736 2HD1 LEU 34 2HD1 LEU 34 -5.981 -0.939 -4.427 737 3HD1 LEU 34 1HD1 LEU 34 -6.558 -2.599 -4.613 738 1HD2 LEU 34 1HD2 LEU 34 -3.741 -1.247 -1.773 739 2HD2 LEU 34 3HD2 LEU 34 -3.368 -1.268 -3.498 740 3HD2 LEU 34 2HD2 LEU 34 -4.660 -0.236 -2.890 741 H TRP 35 H TRP 35 -4.431 -5.000 -0.071 742 HA TRP 35 HA TRP 35 -2.476 -6.072 -1.870 743 1HB TRP 35 2HB TRP 35 -2.112 -5.258 0.457 744 2HB TRP 35 1HB TRP 35 -2.949 -6.700 1.058 745 HD1 TRP 35 HD1 TRP 35 -1.519 -8.812 1.307 746 HE1 TRP 35 HE1 TRP 35 0.753 -9.564 0.406 747 HE3 TRP 35 HE3 TRP 35 -0.423 -4.885 -1.720 748 HZ2 TRP 35 HZ2 TRP 35 2.795 -8.620 -1.344 749 HZ3 TRP 35 HZ3 TRP 35 1.688 -4.844 -3.000 750 HH2 TRP 35 HH2 TRP 35 3.285 -6.683 -2.808 751 H ASP 36 H ASP 36 -4.957 -7.703 0.196 752 HA ASP 36 HA ASP 36 -4.259 -10.392 -0.588 753 1HB ASP 36 2HB ASP 36 -6.729 -9.143 0.663 754 2HB ASP 36 1HB ASP 36 -6.522 -10.880 0.468 755 H ASP 37 H ASP 37 -6.894 -8.173 -1.621 756 HA ASP 37 HA ASP 37 -7.131 -9.822 -4.077 757 1HB ASP 37 2HB ASP 37 -9.422 -8.694 -2.431 758 2HB ASP 37 1HB ASP 37 -9.585 -9.636 -3.906 759 HA PRO 38 HA PRO 38 -6.622 -5.344 -5.176 760 1HB PRO 38 2HB PRO 38 -4.967 -5.797 -7.291 761 2HB PRO 38 1HB PRO 38 -4.397 -5.582 -5.630 762 1HG PRO 38 2HG PRO 38 -4.852 -8.119 -7.145 763 2HG PRO 38 1HG PRO 38 -3.493 -7.667 -6.103 764 1HD PRO 38 1HD PRO 38 -5.459 -9.271 -5.233 765 2HD PRO 38 2HD PRO 38 -4.660 -8.095 -4.160 766 H SER 39 H SER 39 -8.048 -8.135 -6.561 767 HA SER 39 HA SER 39 -8.730 -7.275 -9.219 768 1HB SER 39 2HB SER 39 -9.185 -9.468 -7.613 769 2HB SER 39 1HB SER 39 -10.776 -8.728 -7.641 770 HG SER 39 HG SER 39 -10.878 -8.986 -9.794 771 H GLN 40 H GLN 40 -10.020 -6.580 -5.995 772 HA GLN 40 HA GLN 40 -12.236 -4.867 -6.994 773 1HB GLN 40 2HB GLN 40 -11.294 -5.116 -4.131 774 2HB GLN 40 1HB GLN 40 -12.922 -4.818 -4.717 775 1HG GLN 40 2HG GLN 40 -11.388 -7.427 -4.758 776 2HG GLN 40 1HG GLN 40 -12.839 -7.056 -3.839 777 1HE2 GLN 40 1HE2 GLN 40 -12.161 -9.067 -6.143 778 2HE2 GLN 40 2HE2 GLN 40 -13.454 -8.859 -7.227 779 H SER 41 H SER 41 -9.102 -4.251 -7.202 780 HA SER 41 HA SER 41 -8.297 -2.159 -5.528 781 1HB SER 41 2HB SER 41 -6.850 -3.244 -7.051 782 2HB SER 41 1HB SER 41 -7.820 -2.755 -8.432 783 HG SER 41 HG SER 41 -6.241 -1.280 -8.409 784 H ALA 42 H ALA 42 -10.221 -1.883 -8.574 785 HA ALA 42 HA ALA 42 -10.382 1.009 -8.593 786 1HB ALA 42 2HB ALA 42 -12.264 -1.143 -9.652 787 2HB ALA 42 1HB ALA 42 -12.311 0.556 -10.121 788 3HB ALA 42 3HB ALA 42 -10.911 -0.434 -10.534 789 H ASN 43 H ASN 43 -12.474 -1.559 -7.230 790 HA ASN 43 HA ASN 43 -14.464 0.138 -6.067 791 1HB ASN 43 2HB ASN 43 -14.624 -2.331 -6.535 792 2HB ASN 43 1HB ASN 43 -13.513 -2.611 -5.198 793 1HD2 ASN 43 1HD2 ASN 43 -16.726 -1.132 -5.913 794 2HD2 ASN 43 2HD2 ASN 43 -17.355 -1.401 -4.361 795 H LEU 44 H LEU 44 -11.284 -1.041 -4.932 796 HA LEU 44 HA LEU 44 -11.561 -0.196 -2.161 797 1HB LEU 44 2HB LEU 44 -9.419 -1.087 -4.051 798 2HB LEU 44 1HB LEU 44 -8.935 -0.376 -2.513 799 HG LEU 44 HG LEU 44 -11.097 -2.399 -2.395 800 1HD1 LEU 44 2HD1 LEU 44 -8.648 -2.952 -3.786 801 2HD1 LEU 44 1HD1 LEU 44 -8.629 -3.806 -2.240 802 3HD1 LEU 44 3HD1 LEU 44 -9.953 -4.070 -3.372 803 1HD2 LEU 44 1HD2 LEU 44 -8.866 -1.281 -0.766 804 2HD2 LEU 44 3HD2 LEU 44 -10.513 -1.727 -0.290 805 3HD2 LEU 44 2HD2 LEU 44 -9.281 -2.978 -0.477 806 H LEU 45 H LEU 45 -9.969 1.151 -4.963 807 HA LEU 45 HA LEU 45 -8.915 3.571 -3.934 808 1HB LEU 45 2HB LEU 45 -8.557 2.374 -6.177 809 2HB LEU 45 1HB LEU 45 -10.106 3.023 -6.686 810 HG LEU 45 HG LEU 45 -7.866 4.244 -7.313 811 1HD1 LEU 45 1HD1 LEU 45 -10.199 4.971 -7.789 812 2HD1 LEU 45 3HD1 LEU 45 -10.221 5.803 -6.233 813 3HD1 LEU 45 2HD1 LEU 45 -9.094 6.315 -7.489 814 1HD2 LEU 45 2HD2 LEU 45 -7.027 4.410 -4.999 815 2HD2 LEU 45 1HD2 LEU 45 -7.264 6.004 -5.715 816 3HD2 LEU 45 3HD2 LEU 45 -8.435 5.382 -4.557 817 H ALA 46 H ALA 46 -12.092 2.742 -5.321 818 HA ALA 46 HA ALA 46 -13.338 5.358 -5.065 819 1HB ALA 46 2HB ALA 46 -14.132 3.624 -6.598 820 2HB ALA 46 1HB ALA 46 -14.373 2.513 -5.251 821 3HB ALA 46 3HB ALA 46 -15.391 3.944 -5.405 822 H GLU 47 H GLU 47 -13.437 2.337 -3.108 823 HA GLU 47 HA GLU 47 -15.142 3.171 -1.020 824 1HB GLU 47 2HB GLU 47 -14.221 0.853 -1.511 825 2HB GLU 47 1HB GLU 47 -12.697 1.371 -0.783 826 1HG GLU 47 2HG GLU 47 -14.144 0.161 0.844 827 2HG GLU 47 1HG GLU 47 -13.845 1.824 1.342 828 H ALA 48 H ALA 48 -11.690 3.698 -1.509 829 HA ALA 48 HA ALA 48 -11.040 4.786 1.073 830 1HB ALA 48 1HB ALA 48 -9.063 4.434 0.001 831 2HB ALA 48 2HB ALA 48 -9.349 5.941 -0.868 832 3HB ALA 48 3HB ALA 48 -9.855 4.390 -1.582 833 H LYS 49 H LYS 49 -11.711 6.403 -2.059 834 HA LYS 49 HA LYS 49 -11.808 9.092 -1.040 835 1HB LYS 49 2HB LYS 49 -13.048 7.773 -3.482 836 2HB LYS 49 1HB LYS 49 -12.902 9.519 -3.258 837 1HG LYS 49 2HG LYS 49 -10.435 9.275 -3.064 838 2HG LYS 49 1HG LYS 49 -10.594 7.545 -3.346 839 1HD LYS 49 2HD LYS 49 -11.810 8.199 -5.530 840 2HD LYS 49 1HD LYS 49 -11.147 9.811 -5.262 841 1HE LYS 49 2HE LYS 49 -9.369 7.350 -5.223 842 2HE LYS 49 1HE LYS 49 -9.735 8.212 -6.728 843 1HZ LYS 49 1HZ LYS 49 -9.005 10.287 -5.629 844 2HZ LYS 49 3HZ LYS 49 -8.535 9.388 -4.268 845 3HZ LYS 49 2HZ LYS 49 -7.756 9.143 -5.757 846 H LYS 50 H LYS 50 -14.435 6.727 -1.690 847 HA LYS 50 HA LYS 50 -16.652 8.402 -0.957 848 1HB LYS 50 2HB LYS 50 -16.231 5.395 -0.894 849 2HB LYS 50 1HB LYS 50 -17.801 6.166 -0.667 850 1HG LYS 50 2HG LYS 50 -17.524 7.279 -2.895 851 2HG LYS 50 1HG LYS 50 -16.040 6.367 -3.132 852 1HD LYS 50 2HD LYS 50 -18.791 5.156 -2.694 853 2HD LYS 50 1HD LYS 50 -17.962 5.277 -4.245 854 1HE LYS 50 2HE LYS 50 -17.021 3.259 -3.806 855 2HE LYS 50 1HE LYS 50 -16.107 4.038 -2.510 856 1HZ LYS 50 1HZ LYS 50 -18.864 2.956 -2.246 857 2HZ LYS 50 3HZ LYS 50 -17.460 2.207 -1.661 858 3HZ LYS 50 2HZ LYS 50 -17.963 3.691 -1.007 859 H LEU 51 H LEU 51 -14.612 6.181 0.982 860 HA LEU 51 HA LEU 51 -16.072 6.486 3.452 861 1HB LEU 51 2HB LEU 51 -14.483 4.647 2.844 862 2HB LEU 51 1HB LEU 51 -13.145 5.784 2.959 863 HG LEU 51 HG LEU 51 -13.375 5.974 5.315 864 1HD1 LEU 51 1HD1 LEU 51 -16.156 4.833 4.919 865 2HD1 LEU 51 3HD1 LEU 51 -15.394 4.945 6.505 866 3HD1 LEU 51 2HD1 LEU 51 -15.722 6.410 5.580 867 1HD2 LEU 51 1HD2 LEU 51 -13.815 3.203 4.253 868 2HD2 LEU 51 3HD2 LEU 51 -12.433 3.865 5.128 869 3HD2 LEU 51 2HD2 LEU 51 -13.906 3.445 5.999 870 H ASN 52 H ASN 52 -13.394 8.326 1.951 871 HA ASN 52 HA ASN 52 -12.770 10.066 4.157 872 1HB ASN 52 2HB ASN 52 -11.317 10.884 2.615 873 2HB ASN 52 1HB ASN 52 -11.868 9.571 1.615 874 1HD2 ASN 52 1HD2 ASN 52 -11.285 10.853 -0.312 875 2HD2 ASN 52 2HD2 ASN 52 -12.296 12.114 -0.835 876 H ASP 53 H ASP 53 -15.270 10.142 1.628 877 HA ASP 53 HA ASP 53 -16.244 12.771 2.057 878 1HB ASP 53 2HB ASP 53 -16.691 11.100 0.164 879 2HB ASP 53 1HB ASP 53 -17.880 10.359 1.231 880 H ALA 54 H ALA 54 -16.925 9.690 3.711 881 HA ALA 54 HA ALA 54 -19.275 10.531 5.182 882 1HB ALA 54 1HB ALA 54 -18.136 8.197 4.638 883 2HB ALA 54 3HB ALA 54 -17.310 8.483 6.171 884 3HB ALA 54 2HB ALA 54 -19.071 8.401 6.122 885 H GLN 55 H GLN 55 -15.780 10.588 5.880 886 HA GLN 55 HA GLN 55 -16.079 11.628 8.605 887 1HB GLN 55 2HB GLN 55 -13.819 11.137 6.650 888 2HB GLN 55 1HB GLN 55 -13.525 11.805 8.245 889 1HG GLN 55 2HG GLN 55 -14.465 9.848 9.321 890 2HG GLN 55 1HG GLN 55 -14.993 9.198 7.767 891 1HE2 GLN 55 1HE2 GLN 55 -12.857 9.408 6.121 892 2HE2 GLN 55 2HE2 GLN 55 -11.494 8.605 6.756 893 H ALA 56 H ALA 56 -15.420 12.941 5.363 894 HA ALA 56 HA ALA 56 -15.941 15.707 6.315 895 1HB ALA 56 1HB ALA 56 -13.685 15.941 6.565 896 2HB ALA 56 3HB ALA 56 -13.358 14.470 5.649 897 3HB ALA 56 2HB ALA 56 -13.654 15.990 4.802 898 HA PRO 57 HA PRO 57 -17.672 15.863 2.202 899 1HB PRO 57 2HB PRO 57 -17.702 18.565 1.767 900 2HB PRO 57 1HB PRO 57 -18.839 17.753 2.863 901 1HG PRO 57 2HG PRO 57 -16.365 19.275 3.488 902 2HG PRO 57 1HG PRO 57 -17.915 19.246 4.341 903 1HD PRO 57 1HD PRO 57 -15.704 17.878 5.175 904 2HD PRO 57 2HD PRO 57 -17.367 17.365 5.532 905 H LYS 58 H LYS 58 -16.852 15.870 0.084 906 HA LYS 58 HA LYS 58 -13.972 16.190 -0.293 907 1HB LYS 58 2HB LYS 58 -16.306 15.595 -2.139 908 2HB LYS 58 1HB LYS 58 -14.636 15.642 -2.701 909 1HG LYS 58 2HG LYS 58 -14.052 13.895 -1.018 910 2HG LYS 58 1HG LYS 58 -15.752 13.807 -0.557 911 1HD LYS 58 2HD LYS 58 -16.283 13.300 -2.986 912 2HD LYS 58 1HD LYS 58 -14.548 13.149 -3.259 913 1HE LYS 58 2HE LYS 58 -14.637 11.006 -2.524 914 2HE LYS 58 1HE LYS 58 -15.205 11.581 -0.946 915 1HZ LYS 58 1HZ LYS 58 -17.459 11.761 -1.924 916 2HZ LYS 58 3HZ LYS 58 -16.878 11.045 -3.350 917 3HZ LYS 58 2HZ LYS 58 -16.878 10.166 -1.899 No H/Q in entry = 917 Start of MODEL 26 1 H1 VAL 1 2H VAL 1 6.626 -23.324 11.436 2 H2 VAL 1 1H VAL 1 6.050 -24.823 10.884 3 H3 VAL 1 3H VAL 1 7.541 -24.229 10.333 4 HA VAL 1 HA VAL 1 6.516 -22.496 9.078 5 HB VAL 1 HB VAL 1 5.103 -25.185 8.847 6 1HG1 VAL 1 3HG1 VAL 1 5.221 -22.836 6.935 7 2HG1 VAL 1 2HG1 VAL 1 4.788 -24.469 6.427 8 3HG1 VAL 1 1HG1 VAL 1 3.783 -23.614 7.595 9 1HG2 VAL 1 3HG2 VAL 1 7.612 -24.002 7.631 10 2HG2 VAL 1 2HG2 VAL 1 7.451 -25.497 8.553 11 3HG2 VAL 1 1HG2 VAL 1 6.796 -25.393 6.919 12 H ASP 2 H ASP 2 4.976 -20.898 9.143 13 HA ASP 2 HA ASP 2 2.257 -21.455 10.215 14 1HB ASP 2 2HB ASP 2 2.460 -19.764 11.938 15 2HB ASP 2 1HB ASP 2 3.834 -20.848 12.105 16 H ASN 3 H ASN 3 0.892 -19.335 10.046 17 HA ASN 3 HA ASN 3 1.325 -18.172 7.350 18 1HB ASN 3 2HB ASN 3 -0.873 -19.108 8.313 19 2HB ASN 3 1HB ASN 3 -0.931 -17.661 9.317 20 1HD2 ASN 3 1HD2 ASN 3 -1.470 -15.632 8.281 21 2HD2 ASN 3 2HD2 ASN 3 -1.930 -15.543 6.651 22 H LYS 4 H LYS 4 2.863 -16.541 7.446 23 HA LYS 4 HA LYS 4 2.347 -14.274 9.335 24 1HB LYS 4 2HB LYS 4 4.864 -14.124 9.604 25 2HB LYS 4 1HB LYS 4 4.125 -15.544 10.333 26 1HG LYS 4 2HG LYS 4 4.739 -16.815 8.208 27 2HG LYS 4 1HG LYS 4 5.675 -15.401 7.728 28 1HD LYS 4 2HD LYS 4 6.084 -16.762 10.394 29 2HD LYS 4 1HD LYS 4 6.949 -17.268 8.946 30 1HE LYS 4 2HE LYS 4 8.466 -15.637 9.379 31 2HE LYS 4 1HE LYS 4 7.201 -14.444 9.030 32 1HZ LYS 4 2HZ LYS 4 6.431 -14.633 11.320 33 2HZ LYS 4 1HZ LYS 4 7.648 -15.772 11.660 34 3HZ LYS 4 3HZ LYS 4 8.065 -14.172 11.285 35 H PHE 5 H PHE 5 4.169 -15.239 6.375 36 HA PHE 5 HA PHE 5 4.842 -12.650 5.473 37 1HB PHE 5 2HB PHE 5 4.250 -15.206 3.959 38 2HB PHE 5 1HB PHE 5 5.005 -13.791 3.234 39 HD1 PHE 5 HD1 PHE 5 6.191 -16.617 3.470 40 HD2 PHE 5 HD2 PHE 5 6.587 -13.122 5.947 41 HE1 PHE 5 HE1 PHE 5 8.403 -17.412 4.251 42 HE2 PHE 5 HE2 PHE 5 8.798 -13.924 6.719 43 HZ PHE 5 HZ PHE 5 9.706 -16.067 5.873 44 H ASN 6 H ASN 6 1.760 -14.403 5.145 45 HA ASN 6 HA ASN 6 0.504 -13.008 3.049 46 1HB ASN 6 2HB ASN 6 -0.510 -14.106 5.685 47 2HB ASN 6 1HB ASN 6 -1.602 -13.476 4.451 48 1HD2 ASN 6 1HD2 ASN 6 -1.939 -14.764 2.530 49 2HD2 ASN 6 2HD2 ASN 6 -1.276 -16.317 2.351 50 H LYS 7 H LYS 7 0.419 -12.051 6.553 51 HA LYS 7 HA LYS 7 -0.659 -9.416 5.796 52 1HB LYS 7 2HB LYS 7 -1.584 -10.342 7.756 53 2HB LYS 7 1HB LYS 7 0.021 -10.706 8.432 54 1HG LYS 7 2HG LYS 7 0.474 -8.247 8.504 55 2HG LYS 7 1HG LYS 7 -1.168 -7.964 7.925 56 1HD LYS 7 2HD LYS 7 -2.117 -8.952 9.861 57 2HD LYS 7 1HD LYS 7 -0.541 -9.565 10.389 58 1HE LYS 7 2HE LYS 7 -0.940 -6.592 10.005 59 2HE LYS 7 1HE LYS 7 -1.480 -7.367 11.506 60 1HZ LYS 7 1HZ LYS 7 0.743 -8.369 11.719 61 2HZ LYS 7 3HZ LYS 7 1.256 -7.531 10.334 62 3HZ LYS 7 2HZ LYS 7 0.814 -6.672 11.730 63 H GLU 8 H GLU 8 2.535 -10.743 6.650 64 HA GLU 8 HA GLU 8 3.835 -8.273 7.332 65 1HB GLU 8 2HB GLU 8 4.818 -10.790 5.947 66 2HB GLU 8 1HB GLU 8 5.881 -9.443 6.350 67 1HG GLU 8 2HG GLU 8 4.240 -11.066 8.316 68 2HG GLU 8 1HG GLU 8 5.994 -11.134 8.099 69 H GLN 9 H GLN 9 3.096 -9.851 4.236 70 HA GLN 9 HA GLN 9 4.278 -7.907 2.504 71 1HB GLN 9 2HB GLN 9 1.984 -9.859 2.215 72 2HB GLN 9 1HB GLN 9 2.597 -8.901 0.878 73 1HG GLN 9 2HG GLN 9 4.752 -9.969 1.005 74 2HG GLN 9 1HG GLN 9 4.292 -10.824 2.480 75 1HE2 GLN 9 1HE2 GLN 9 3.842 -10.738 -1.038 76 2HE2 GLN 9 2HE2 GLN 9 3.001 -12.208 -1.139 77 H GLN 10 H GLN 10 1.094 -8.310 4.007 78 HA GLN 10 HA GLN 10 -0.320 -6.086 2.840 79 1HB GLN 10 2HB GLN 10 -0.736 -8.208 4.611 80 2HB GLN 10 1HB GLN 10 -1.024 -6.773 5.573 81 1HG GLN 10 2HG GLN 10 -2.980 -6.422 4.536 82 2HG GLN 10 1HG GLN 10 -2.205 -6.451 2.990 83 1HE2 GLN 10 1HE2 GLN 10 -4.839 -7.701 3.909 84 2HE2 GLN 10 2HE2 GLN 10 -4.699 -9.346 3.522 85 H ASN 11 H ASN 11 1.477 -6.393 5.917 86 HA ASN 11 HA ASN 11 1.108 -3.645 6.736 87 1HB ASN 11 2HB ASN 11 1.742 -5.752 8.109 88 2HB ASN 11 1HB ASN 11 3.385 -5.510 7.507 89 1HD2 ASN 11 1HD2 ASN 11 4.653 -3.889 8.528 90 2HD2 ASN 11 2HD2 ASN 11 4.057 -2.847 9.727 91 H ALA 12 H ALA 12 3.779 -5.418 5.111 92 HA ALA 12 HA ALA 12 5.588 -3.196 4.867 93 1HB ALA 12 1HB ALA 12 5.157 -5.824 3.446 94 2HB ALA 12 2HB ALA 12 6.486 -5.349 4.509 95 3HB ALA 12 3HB ALA 12 6.381 -4.682 2.877 96 H PHE 13 H PHE 13 3.060 -4.514 2.728 97 HA PHE 13 HA PHE 13 3.338 -2.748 0.486 98 1HB PHE 13 2HB PHE 13 1.941 -4.731 0.362 99 2HB PHE 13 1HB PHE 13 1.025 -4.254 1.784 100 HD1 PHE 13 HD1 PHE 13 1.994 -2.646 -1.453 101 HD2 PHE 13 HD2 PHE 13 -1.150 -3.546 1.318 102 HE1 PHE 13 HE1 PHE 13 0.395 -1.523 -2.907 103 HE2 PHE 13 HE2 PHE 13 -2.768 -2.443 -0.166 104 HZ PHE 13 HZ PHE 13 -1.985 -1.433 -2.260 105 H TYR 14 H TYR 14 1.125 -2.646 3.250 106 HA TYR 14 HA TYR 14 -0.082 -0.138 2.948 107 1HB TYR 14 2HB TYR 14 -0.656 -1.917 4.516 108 2HB TYR 14 1HB TYR 14 0.837 -1.642 5.406 109 HD1 TYR 14 HD1 TYR 14 0.962 0.002 7.070 110 HD2 TYR 14 HD2 TYR 14 -2.308 0.017 4.307 111 HE1 TYR 14 HE1 TYR 14 -0.179 1.733 8.415 112 HE2 TYR 14 HE2 TYR 14 -3.449 1.662 5.621 113 HH TYR 14 HH TYR 14 -1.983 3.588 7.859 114 H GLU 15 H GLU 15 2.794 -0.881 4.988 115 HA GLU 15 HA GLU 15 3.445 1.797 5.690 116 1HB GLU 15 2HB GLU 15 5.096 -0.732 5.412 117 2HB GLU 15 1HB GLU 15 5.719 0.754 6.125 118 1HG GLU 15 2HG GLU 15 3.305 -0.799 7.129 119 2HG GLU 15 1HG GLU 15 4.895 -0.791 7.877 120 H ILE 16 H ILE 16 4.595 -0.218 2.907 121 HA ILE 16 HA ILE 16 6.429 1.632 1.739 122 HB ILE 16 HB ILE 16 4.622 -0.581 0.782 123 1HG1 ILE 16 2HG1 ILE 16 7.562 -0.204 0.293 124 2HG1 ILE 16 1HG1 ILE 16 6.992 -0.645 1.897 125 1HG2 ILE 16 1HG2 ILE 16 6.166 1.210 -1.114 126 2HG2 ILE 16 3HG2 ILE 16 5.498 -0.369 -1.544 127 3HG2 ILE 16 2HG2 ILE 16 4.419 0.954 -1.096 128 1HD1 ILE 16 3HD1 ILE 16 5.860 -2.212 -0.347 129 2HD1 ILE 16 2HD1 ILE 16 7.591 -2.456 -0.001 130 3HD1 ILE 16 1HD1 ILE 16 6.388 -2.734 1.257 131 H LEU 17 H LEU 17 2.930 1.301 1.176 132 HA LEU 17 HA LEU 17 2.569 3.583 -0.540 133 1HB LEU 17 2HB LEU 17 0.730 2.162 1.405 134 2HB LEU 17 1HB LEU 17 0.184 3.313 0.197 135 HG LEU 17 HG LEU 17 1.929 1.222 -0.892 136 1HD1 LEU 17 1HD1 LEU 17 0.038 0.382 0.985 137 2HD1 LEU 17 3HD1 LEU 17 -0.744 0.166 -0.592 138 3HD1 LEU 17 2HD1 LEU 17 0.812 -0.589 -0.260 139 1HD2 LEU 17 3HD2 LEU 17 0.399 2.962 -2.087 140 2HD2 LEU 17 2HD2 LEU 17 0.423 1.271 -2.663 141 3HD2 LEU 17 1HD2 LEU 17 -0.905 1.826 -1.627 142 H HIS 18 H HIS 18 2.344 3.284 3.040 143 HA HIS 18 HA HIS 18 1.490 6.044 3.415 144 1HB HIS 18 2HB HIS 18 2.431 3.811 5.232 145 2HB HIS 18 1HB HIS 18 2.110 5.420 5.858 146 HD1 HIS 18 HD1 HIS 18 -0.410 6.296 5.723 147 HD2 HIS 18 HD2 HIS 18 0.119 2.293 4.704 148 HE1 HIS 18 HE1 HIS 18 -2.712 5.140 5.682 149 H LEU 19 H LEU 19 4.676 4.501 3.102 150 HA LEU 19 HA LEU 19 6.353 6.120 4.681 151 1HB LEU 19 2HB LEU 19 6.683 4.701 2.043 152 2HB LEU 19 1HB LEU 19 8.005 5.683 2.660 153 HG LEU 19 HG LEU 19 6.701 3.390 4.171 154 1HD1 LEU 19 2HD1 LEU 19 9.263 3.591 2.578 155 2HD1 LEU 19 1HD1 LEU 19 8.976 2.314 3.755 156 3HD1 LEU 19 3HD1 LEU 19 7.942 2.454 2.340 157 1HD2 LEU 19 3HD2 LEU 19 7.699 5.191 5.613 158 2HD2 LEU 19 2HD2 LEU 19 8.528 3.640 5.772 159 3HD2 LEU 19 1HD2 LEU 19 9.237 4.929 4.798 160 HA PRO 20 HA PRO 20 5.497 10.124 2.873 161 1HB PRO 20 2HB PRO 20 7.274 11.538 4.405 162 2HB PRO 20 1HB PRO 20 5.684 10.999 4.980 163 1HG PRO 20 2HG PRO 20 8.367 9.761 5.404 164 2HG PRO 20 1HG PRO 20 7.046 10.010 6.559 165 1HD PRO 20 1HD PRO 20 7.499 7.621 5.419 166 2HD PRO 20 2HD PRO 20 5.858 8.183 5.802 167 H ASN 21 H ASN 21 8.670 8.525 2.695 168 HA ASN 21 HA ASN 21 9.538 10.673 0.788 169 1HB ASN 21 2HB ASN 21 11.040 8.811 2.616 170 2HB ASN 21 1HB ASN 21 11.845 9.744 1.358 171 1HD2 ASN 21 1HD2 ASN 21 11.139 9.884 4.612 172 2HD2 ASN 21 2HD2 ASN 21 11.081 11.566 4.812 173 H LEU 22 H LEU 22 8.169 7.631 0.644 174 HA LEU 22 HA LEU 22 9.899 6.533 -1.479 175 1HB LEU 22 2HB LEU 22 7.261 5.757 -0.203 176 2HB LEU 22 1HB LEU 22 7.776 4.986 -1.696 177 HG LEU 22 HG LEU 22 8.946 4.765 1.060 178 1HD1 LEU 22 3HD1 LEU 22 8.225 2.928 -1.220 179 2HD1 LEU 22 2HD1 LEU 22 9.278 2.374 0.089 180 3HD1 LEU 22 1HD1 LEU 22 7.631 2.909 0.441 181 1HD2 LEU 22 3HD2 LEU 22 10.498 4.507 -1.536 182 2HD2 LEU 22 2HD2 LEU 22 10.901 5.491 -0.104 183 3HD2 LEU 22 1HD2 LEU 22 10.996 3.719 -0.030 184 H ASN 23 H ASN 23 9.342 6.540 -3.680 185 HA ASN 23 HA ASN 23 7.254 8.558 -4.462 186 1HB ASN 23 2HB ASN 23 8.724 8.538 -6.651 187 2HB ASN 23 1HB ASN 23 9.265 9.440 -5.253 188 1HD2 ASN 23 1HD2 ASN 23 11.271 8.791 -4.274 189 2HD2 ASN 23 2HD2 ASN 23 12.188 7.476 -4.832 190 H GLU 24 H GLU 24 6.568 8.048 -6.898 191 HA GLU 24 HA GLU 24 5.065 5.601 -6.850 192 1HB GLU 24 2HB GLU 24 5.767 7.732 -8.844 193 2HB GLU 24 1HB GLU 24 5.096 6.236 -9.478 194 1HG GLU 24 2HG GLU 24 3.456 8.169 -8.854 195 2HG GLU 24 1HG GLU 24 3.041 6.531 -8.374 196 H GLU 25 H GLU 25 8.302 6.332 -8.182 197 HA GLU 25 HA GLU 25 8.641 3.852 -9.640 198 1HB GLU 25 2HB GLU 25 9.984 5.945 -9.915 199 2HB GLU 25 1HB GLU 25 10.687 5.676 -8.324 200 1HG GLU 25 2HG GLU 25 11.518 3.441 -9.150 201 2HG GLU 25 1HG GLU 25 10.969 3.898 -10.761 202 H GLN 26 H GLN 26 9.592 4.853 -6.309 203 HA GLN 26 HA GLN 26 10.659 2.209 -5.601 204 1HB GLN 26 2HB GLN 26 10.443 4.914 -4.457 205 2HB GLN 26 1HB GLN 26 10.366 3.612 -3.270 206 1HG GLN 26 2HG GLN 26 12.693 4.222 -3.573 207 2HG GLN 26 1HG GLN 26 12.433 2.627 -4.272 208 1HE2 GLN 26 1HE2 GLN 26 13.669 5.745 -4.934 209 2HE2 GLN 26 2HE2 GLN 26 13.799 5.593 -6.619 210 H ARG 27 H ARG 27 7.880 4.093 -4.361 211 HA ARG 27 HA ARG 27 6.724 2.179 -2.641 212 1HB ARG 27 2HB ARG 27 6.198 4.685 -3.355 213 2HB ARG 27 1HB ARG 27 5.058 3.915 -4.457 214 1HG ARG 27 2HG ARG 27 3.628 3.400 -2.819 215 2HG ARG 27 1HG ARG 27 4.909 2.887 -1.717 216 1HD ARG 27 2HD ARG 27 3.711 4.927 -0.882 217 2HD ARG 27 1HD ARG 27 5.423 5.256 -1.200 218 HE ARG 27 HE ARG 27 3.639 5.732 -3.490 219 1HH1 ARG 27 1HH1 ARG 27 3.803 7.297 -0.540 220 2HH1 ARG 27 2HH1 ARG 27 4.358 8.814 -1.162 221 1HH2 ARG 27 1HH2 ARG 27 4.918 7.600 -4.376 222 2HH2 ARG 27 2HH2 ARG 27 4.990 8.986 -3.343 223 H ASN 28 H ASN 28 5.998 2.658 -6.174 224 HA ASN 28 HA ASN 28 4.045 0.491 -6.277 225 1HB ASN 28 2HB ASN 28 5.507 1.980 -8.475 226 2HB ASN 28 1HB ASN 28 4.086 0.980 -8.702 227 1HD2 ASN 28 1HD2 ASN 28 4.091 3.791 -9.377 228 2HD2 ASN 28 2HD2 ASN 28 3.012 4.579 -8.331 229 H ALA 29 H ALA 29 7.459 0.801 -7.405 230 HA ALA 29 HA ALA 29 7.674 -1.832 -8.549 231 1HB ALA 29 3HB ALA 29 9.263 0.022 -8.883 232 2HB ALA 29 1HB ALA 29 10.089 -1.418 -8.285 233 3HB ALA 29 2HB ALA 29 9.734 -0.084 -7.185 234 H PHE 30 H PHE 30 7.923 -0.626 -5.242 235 HA PHE 30 HA PHE 30 9.049 -2.930 -3.943 236 1HB PHE 30 2HB PHE 30 7.452 -0.496 -3.269 237 2HB PHE 30 1HB PHE 30 7.478 -1.799 -2.079 238 HD1 PHE 30 HD1 PHE 30 8.856 -1.104 -0.430 239 HD2 PHE 30 HD2 PHE 30 10.216 -0.746 -4.471 240 HE1 PHE 30 HE1 PHE 30 11.064 -0.510 0.343 241 HE2 PHE 30 HE2 PHE 30 12.487 -0.140 -3.637 242 HZ PHE 30 HZ PHE 30 12.893 -0.098 -1.211 243 H ILE 31 H ILE 31 5.726 -1.907 -4.612 244 HA ILE 31 HA ILE 31 4.323 -4.139 -3.421 245 HB ILE 31 HB ILE 31 3.746 -2.126 -5.609 246 1HG1 ILE 31 2HG1 ILE 31 2.684 -2.286 -2.823 247 2HG1 ILE 31 1HG1 ILE 31 4.198 -1.477 -3.164 248 1HG2 ILE 31 1HG2 ILE 31 2.319 -4.492 -5.087 249 2HG2 ILE 31 3HG2 ILE 31 1.424 -3.189 -4.305 250 3HG2 ILE 31 2HG2 ILE 31 1.784 -3.102 -6.027 251 1HD1 ILE 31 2HD1 ILE 31 1.634 -0.832 -4.623 252 2HD1 ILE 31 1HD1 ILE 31 2.127 -0.021 -3.114 253 3HD1 ILE 31 3HD1 ILE 31 3.149 0.121 -4.552 254 H GLN 32 H GLN 32 6.080 -3.736 -6.535 255 HA GLN 32 HA GLN 32 4.992 -6.160 -7.778 256 1HB GLN 32 2HB GLN 32 7.577 -4.622 -8.262 257 2HB GLN 32 1HB GLN 32 6.888 -5.823 -9.347 258 1HG GLN 32 2HG GLN 32 4.836 -4.403 -9.537 259 2HG GLN 32 1HG GLN 32 5.630 -3.175 -8.566 260 1HE2 GLN 32 1HE2 GLN 32 4.865 -3.642 -11.673 261 2HE2 GLN 32 2HE2 GLN 32 6.234 -3.005 -12.449 262 H SER 33 H SER 33 8.062 -5.380 -6.046 263 HA SER 33 HA SER 33 9.064 -8.101 -5.947 264 1HB SER 33 2HB SER 33 10.571 -7.064 -4.195 265 2HB SER 33 1HB SER 33 10.578 -6.263 -5.761 266 HG SER 33 HG SER 33 10.259 -4.622 -4.404 267 H LEU 34 H LEU 34 6.878 -6.250 -3.934 268 HA LEU 34 HA LEU 34 6.916 -8.060 -1.636 269 1HB LEU 34 2HB LEU 34 6.586 -5.583 -1.621 270 2HB LEU 34 1HB LEU 34 5.071 -5.803 -2.483 271 HG LEU 34 HG LEU 34 4.303 -7.237 -0.539 272 1HD1 LEU 34 1HD1 LEU 34 6.858 -6.131 0.612 273 2HD1 LEU 34 3HD1 LEU 34 5.529 -6.717 1.610 274 3HD1 LEU 34 2HD1 LEU 34 6.358 -7.820 0.511 275 1HD2 LEU 34 2HD2 LEU 34 3.765 -4.790 -0.913 276 2HD2 LEU 34 1HD2 LEU 34 3.688 -5.324 0.761 277 3HD2 LEU 34 3HD2 LEU 34 5.081 -4.413 0.197 278 H LYS 35 H LYS 35 4.556 -7.346 -4.282 279 HA LYS 35 HA LYS 35 2.586 -9.290 -3.456 280 1HB LYS 35 2HB LYS 35 3.138 -7.615 -5.884 281 2HB LYS 35 1HB LYS 35 2.027 -8.945 -6.075 282 1HG LYS 35 2HG LYS 35 1.328 -7.687 -3.677 283 2HG LYS 35 1HG LYS 35 1.541 -6.417 -4.877 284 1HD LYS 35 2HD LYS 35 -0.247 -7.120 -6.096 285 2HD LYS 35 1HD LYS 35 0.098 -8.823 -5.809 286 1HE LYS 35 2HE LYS 35 -1.015 -6.983 -3.665 287 2HE LYS 35 1HE LYS 35 -2.033 -7.996 -4.703 288 1HZ LYS 35 3HZ LYS 35 -0.436 -9.876 -4.004 289 2HZ LYS 35 2HZ LYS 35 0.006 -8.843 -2.732 290 3HZ LYS 35 1HZ LYS 35 -1.601 -9.362 -2.883 291 H ASP 36 H ASP 36 5.475 -9.522 -5.516 292 HA ASP 36 HA ASP 36 4.833 -12.281 -6.357 293 1HB ASP 36 2HB ASP 36 7.025 -10.277 -6.894 294 2HB ASP 36 1HB ASP 36 7.175 -11.948 -7.432 295 H ASP 37 H ASP 37 7.072 -10.680 -4.043 296 HA ASP 37 HA ASP 37 8.007 -13.406 -3.189 297 1HB ASP 37 2HB ASP 37 9.579 -11.549 -4.167 298 2HB ASP 37 1HB ASP 37 9.433 -10.828 -2.566 299 HA PRO 38 HA PRO 38 5.527 -12.148 0.414 300 1HB PRO 38 2HB PRO 38 5.287 -14.670 1.445 301 2HB PRO 38 1HB PRO 38 4.276 -14.062 0.120 302 1HG PRO 38 2HG PRO 38 6.692 -15.796 -0.007 303 2HG PRO 38 1HG PRO 38 5.159 -15.928 -0.885 304 1HD PRO 38 1HD PRO 38 7.377 -14.885 -2.005 305 2HD PRO 38 2HD PRO 38 5.738 -14.333 -2.417 306 H SER 39 H SER 39 8.331 -14.406 0.574 307 HA SER 39 HA SER 39 8.832 -14.058 3.390 308 1HB SER 39 2HB SER 39 10.885 -15.257 2.905 309 2HB SER 39 1HB SER 39 9.604 -15.937 1.909 310 HG SER 39 HG SER 39 10.457 -14.985 0.148 311 H GLN 40 H GLN 40 9.956 -12.167 0.578 312 HA GLN 40 HA GLN 40 11.884 -10.659 2.236 313 1HB GLN 40 2HB GLN 40 11.796 -11.349 -0.388 314 2HB GLN 40 1HB GLN 40 11.085 -9.736 -0.486 315 1HG GLN 40 2HG GLN 40 13.386 -9.316 -0.711 316 2HG GLN 40 1HG GLN 40 13.095 -9.008 0.999 317 1HE2 GLN 40 1HE2 GLN 40 14.181 -10.362 2.528 318 2HE2 GLN 40 2HE2 GLN 40 15.185 -11.652 2.078 319 H SER 41 H SER 41 8.552 -10.512 2.150 320 HA SER 41 HA SER 41 7.903 -7.829 1.560 321 1HB SER 41 2HB SER 41 5.910 -8.284 2.949 322 2HB SER 41 1HB SER 41 6.297 -9.662 1.928 323 HG SER 41 HG SER 41 6.581 -10.798 3.671 324 H ALA 42 H ALA 42 8.886 -9.153 4.816 325 HA ALA 42 HA ALA 42 8.678 -6.608 6.185 326 1HB ALA 42 3HB ALA 42 10.573 -8.929 6.557 327 2HB ALA 42 1HB ALA 42 8.994 -8.748 7.328 328 3HB ALA 42 2HB ALA 42 10.307 -7.638 7.730 329 H ASN 43 H ASN 43 11.414 -8.212 4.510 330 HA ASN 43 HA ASN 43 13.436 -6.228 4.848 331 1HB ASN 43 2HB ASN 43 12.854 -8.538 3.164 332 2HB ASN 43 1HB ASN 43 13.692 -7.266 2.261 333 1HD2 ASN 43 1HD2 ASN 43 13.985 -8.515 5.672 334 2HD2 ASN 43 2HD2 ASN 43 15.667 -8.730 5.590 335 H LEU 44 H LEU 44 10.764 -6.570 2.535 336 HA LEU 44 HA LEU 44 11.489 -4.419 0.786 337 1HB LEU 44 2HB LEU 44 8.980 -5.933 1.418 338 2HB LEU 44 1HB LEU 44 8.968 -4.593 0.268 339 HG LEU 44 HG LEU 44 10.907 -6.896 0.144 340 1HD1 LEU 44 3HD1 LEU 44 8.303 -7.209 -0.215 341 2HD1 LEU 44 2HD1 LEU 44 8.691 -6.544 -1.803 342 3HD1 LEU 44 1HD1 LEU 44 9.481 -8.023 -1.247 343 1HD2 LEU 44 1HD2 LEU 44 10.825 -4.292 -1.013 344 2HD2 LEU 44 3HD2 LEU 44 11.933 -5.636 -1.371 345 3HD2 LEU 44 2HD2 LEU 44 10.434 -5.479 -2.306 346 H LEU 45 H LEU 45 9.380 -4.601 3.669 347 HA LEU 45 HA LEU 45 8.736 -1.755 3.491 348 1HB LEU 45 2HB LEU 45 7.315 -3.156 4.758 349 2HB LEU 45 1HB LEU 45 8.654 -3.811 5.698 350 HG LEU 45 HG LEU 45 9.007 -1.704 6.794 351 1HD1 LEU 45 2HD1 LEU 45 7.014 -0.637 4.771 352 2HD1 LEU 45 1HD1 LEU 45 7.412 0.240 6.247 353 3HD1 LEU 45 3HD1 LEU 45 8.670 -0.086 5.051 354 1HD2 LEU 45 2HD2 LEU 45 7.159 -3.199 7.555 355 2HD2 LEU 45 1HD2 LEU 45 6.933 -1.506 8.007 356 3HD2 LEU 45 3HD2 LEU 45 6.028 -2.190 6.653 357 H ALA 46 H ALA 46 11.204 -3.698 5.234 358 HA ALA 46 HA ALA 46 12.548 -1.591 6.654 359 1HB ALA 46 1HB ALA 46 13.354 -4.191 5.322 360 2HB ALA 46 3HB ALA 46 14.566 -3.161 6.096 361 3HB ALA 46 2HB ALA 46 13.236 -3.827 7.053 362 H GLU 47 H GLU 47 13.101 -2.817 3.293 363 HA GLU 47 HA GLU 47 15.169 -0.879 2.737 364 1HB GLU 47 2HB GLU 47 14.933 -1.644 0.408 365 2HB GLU 47 1HB GLU 47 15.011 -3.010 1.515 366 1HG GLU 47 2HG GLU 47 12.595 -3.203 1.404 367 2HG GLU 47 1HG GLU 47 12.543 -1.856 0.281 368 H ALA 48 H ALA 48 11.589 -0.963 2.302 369 HA ALA 48 HA ALA 48 11.379 1.503 0.825 370 1HB ALA 48 3HB ALA 48 9.734 -0.443 1.469 371 2HB ALA 48 2HB ALA 48 9.446 0.518 2.924 372 3HB ALA 48 1HB ALA 48 9.092 1.192 1.315 373 H LYS 49 H LYS 49 11.531 0.697 4.292 374 HA LYS 49 HA LYS 49 11.122 3.378 5.308 375 1HB LYS 49 2HB LYS 49 11.922 0.649 6.240 376 2HB LYS 49 1HB LYS 49 12.176 1.990 7.343 377 1HG LYS 49 2HG LYS 49 9.876 2.575 7.346 378 2HG LYS 49 1HG LYS 49 9.561 1.650 5.878 379 1HD LYS 49 2HD LYS 49 8.699 0.288 7.562 380 2HD LYS 49 1HD LYS 49 10.300 -0.395 7.274 381 1HE LYS 49 2HE LYS 49 11.210 0.729 9.189 382 2HE LYS 49 1HE LYS 49 9.738 1.706 9.378 383 1HZ LYS 49 1HZ LYS 49 9.867 -1.269 9.568 384 2HZ LYS 49 3HZ LYS 49 9.735 -0.214 10.889 385 3HZ LYS 49 2HZ LYS 49 8.470 -0.318 9.762 386 H LYS 50 H LYS 50 13.818 1.313 4.448 387 HA LYS 50 HA LYS 50 16.054 2.912 5.292 388 1HB LYS 50 2HB LYS 50 16.414 0.623 4.796 389 2HB LYS 50 1HB LYS 50 15.406 0.698 3.369 390 1HG LYS 50 2HG LYS 50 17.348 2.314 2.506 391 2HG LYS 50 1HG LYS 50 18.287 1.374 3.667 392 1HD LYS 50 2HD LYS 50 16.468 0.054 1.622 393 2HD LYS 50 1HD LYS 50 18.164 0.427 1.276 394 1HE LYS 50 2HE LYS 50 18.819 -0.913 3.315 395 2HE LYS 50 1HE LYS 50 17.115 -1.388 3.486 396 1HZ LYS 50 1HZ LYS 50 17.174 -2.208 1.187 397 2HZ LYS 50 3HZ LYS 50 18.822 -1.819 1.081 398 3HZ LYS 50 2HZ LYS 50 18.301 -3.019 2.164 399 H LEU 51 H LEU 51 14.056 2.708 2.344 400 HA LEU 51 HA LEU 51 15.490 4.689 0.767 401 1HB LEU 51 2HB LEU 51 13.003 3.074 0.688 402 2HB LEU 51 1HB LEU 51 12.898 4.608 -0.162 403 HG LEU 51 HG LEU 51 14.471 3.989 -1.740 404 1HD1 LEU 51 3HD1 LEU 51 15.588 2.250 0.425 405 2HD1 LEU 51 2HD1 LEU 51 15.937 1.854 -1.258 406 3HD1 LEU 51 1HD1 LEU 51 16.418 3.423 -0.600 407 1HD2 LEU 51 3HD2 LEU 51 12.658 1.891 -0.899 408 2HD2 LEU 51 2HD2 LEU 51 13.039 2.482 -2.520 409 3HD2 LEU 51 1HD2 LEU 51 14.066 1.267 -1.766 410 H ASN 52 H ASN 52 12.770 4.714 3.023 411 HA ASN 52 HA ASN 52 11.736 7.297 2.593 412 1HB ASN 52 2HB ASN 52 10.848 5.363 3.981 413 2HB ASN 52 1HB ASN 52 11.991 5.838 5.234 414 1HD2 ASN 52 1HD2 ASN 52 11.359 7.498 6.626 415 2HD2 ASN 52 2HD2 ASN 52 9.982 8.466 6.399 416 H ASP 53 H ASP 53 14.369 6.198 4.762 417 HA ASP 53 HA ASP 53 14.969 8.909 5.739 418 1HB ASP 53 2HB ASP 53 16.461 6.272 5.958 419 2HB ASP 53 1HB ASP 53 16.824 7.725 6.884 420 H ALA 54 H ALA 54 16.426 6.636 3.388 421 HA ALA 54 HA ALA 54 18.774 8.210 2.770 422 1HB ALA 54 2HB ALA 54 17.241 6.178 1.108 423 2HB ALA 54 1HB ALA 54 18.920 6.660 0.860 424 3HB ALA 54 3HB ALA 54 18.461 5.780 2.318 425 H GLN 55 H GLN 55 15.550 7.964 1.234 426 HA GLN 55 HA GLN 55 16.148 10.069 -0.745 427 1HB GLN 55 2HB GLN 55 13.615 8.561 -0.050 428 2HB GLN 55 1HB GLN 55 13.829 9.593 -1.459 429 1HG GLN 55 2HG GLN 55 15.711 8.110 -2.206 430 2HG GLN 55 1HG GLN 55 15.348 7.028 -0.859 431 1HE2 GLN 55 1HE2 GLN 55 12.661 6.755 -0.809 432 2HE2 GLN 55 2HE2 GLN 55 12.049 6.220 -2.298 433 H ALA 56 H ALA 56 15.351 10.168 2.536 434 HA ALA 56 HA ALA 56 13.254 12.132 2.651 435 1HB ALA 56 2HB ALA 56 15.068 12.350 4.861 436 2HB ALA 56 1HB ALA 56 13.483 11.580 4.824 437 3HB ALA 56 3HB ALA 56 14.925 10.643 4.430 438 HA PRO 57 HA PRO 57 15.350 15.851 1.732 439 1HB PRO 57 2HB PRO 57 13.951 17.618 3.291 440 2HB PRO 57 1HB PRO 57 13.299 16.901 1.806 441 1HG PRO 57 2HG PRO 57 12.822 16.123 4.641 442 2HG PRO 57 1HG PRO 57 11.679 16.225 3.292 443 1HD PRO 57 1HD PRO 57 12.725 13.883 4.163 444 2HD PRO 57 2HD PRO 57 12.258 14.164 2.471 445 H LYS 58 H LYS 58 14.994 14.947 5.155 446 HA LYS 58 HA LYS 58 17.605 16.305 5.734 447 1HB LYS 58 2HB LYS 58 15.588 17.538 6.583 448 2HB LYS 58 1HB LYS 58 15.168 16.119 7.544 449 1HG LYS 58 2HG LYS 58 16.353 17.516 9.048 450 2HG LYS 58 1HG LYS 58 17.549 16.325 8.534 451 1HD LYS 58 2HD LYS 58 17.786 18.273 6.591 452 2HD LYS 58 1HD LYS 58 17.455 19.224 8.035 453 1HE LYS 58 2HE LYS 58 19.802 19.015 8.116 454 2HE LYS 58 1HE LYS 58 19.283 17.666 9.143 455 1HZ LYS 58 3HZ LYS 58 19.766 17.449 6.211 456 2HZ LYS 58 2HZ LYS 58 20.890 16.996 7.398 457 3HZ LYS 58 1HZ LYS 58 19.408 16.178 7.276 458 H1 VAL 1 3H VAL 1 -4.259 -17.405 -6.366 459 H2 VAL 1 2H VAL 1 -3.863 -17.178 -4.730 460 H3 VAL 1 1H VAL 1 -5.017 -18.342 -5.176 461 HA VAL 1 HA VAL 1 -6.611 -16.721 -5.788 462 HB VAL 1 HB VAL 1 -5.087 -16.027 -3.242 463 1HG1 VAL 1 3HG1 VAL 1 -7.816 -15.131 -4.209 464 2HG1 VAL 1 2HG1 VAL 1 -7.350 -15.097 -2.509 465 3HG1 VAL 1 1HG1 VAL 1 -6.469 -14.120 -3.683 466 1HG2 VAL 1 3HG2 VAL 1 -7.417 -17.848 -3.899 467 2HG2 VAL 1 2HG2 VAL 1 -5.884 -18.276 -3.137 468 3HG2 VAL 1 1HG2 VAL 1 -7.073 -17.322 -2.251 469 H ASP 2 H ASP 2 -3.690 -14.909 -4.664 470 HA ASP 2 HA ASP 2 -4.490 -12.523 -6.194 471 1HB ASP 2 2HB ASP 2 -3.429 -12.474 -3.928 472 2HB ASP 2 1HB ASP 2 -1.961 -13.156 -4.631 473 H ASN 3 H ASN 3 -3.859 -12.113 -8.264 474 HA ASN 3 HA ASN 3 -1.758 -13.828 -9.518 475 1HB ASN 3 2HB ASN 3 -4.167 -13.554 -10.390 476 2HB ASN 3 1HB ASN 3 -3.703 -11.918 -10.852 477 1HD2 ASN 3 1HD2 ASN 3 -2.607 -15.340 -11.307 478 2HD2 ASN 3 2HD2 ASN 3 -2.008 -15.085 -12.874 479 H LYS 4 H LYS 4 -0.697 -11.940 -7.807 480 HA LYS 4 HA LYS 4 0.826 -10.175 -7.625 481 1HB LYS 4 2HB LYS 4 1.249 -10.779 -10.573 482 2HB LYS 4 1HB LYS 4 2.423 -10.083 -9.460 483 1HG LYS 4 2HG LYS 4 1.253 -12.885 -9.309 484 2HG LYS 4 1HG LYS 4 2.897 -12.467 -9.786 485 1HD LYS 4 2HD LYS 4 3.375 -11.601 -7.561 486 2HD LYS 4 1HD LYS 4 1.703 -11.838 -7.066 487 1HE LYS 4 2HE LYS 4 3.117 -14.239 -8.141 488 2HE LYS 4 1HE LYS 4 3.606 -13.670 -6.533 489 1HZ LYS 4 2HZ LYS 4 0.792 -14.141 -7.396 490 2HZ LYS 4 1HZ LYS 4 1.699 -15.191 -6.418 491 3HZ LYS 4 3HZ LYS 4 1.297 -13.644 -5.849 492 H PHE 5 H PHE 5 -1.273 -8.826 -7.443 493 HA PHE 5 HA PHE 5 -1.916 -7.056 -9.711 494 1HB PHE 5 2HB PHE 5 -2.854 -7.557 -6.901 495 2HB PHE 5 1HB PHE 5 -3.345 -6.087 -7.716 496 HD1 PHE 5 HD1 PHE 5 -3.207 -9.799 -8.256 497 HD2 PHE 5 HD2 PHE 5 -5.192 -6.099 -9.146 498 HE1 PHE 5 HE1 PHE 5 -4.970 -11.030 -9.483 499 HE2 PHE 5 HE2 PHE 5 -6.948 -7.333 -10.374 500 HZ PHE 5 HZ PHE 5 -6.841 -9.802 -10.543 501 H ASN 6 H ASN 6 0.863 -6.795 -8.675 502 HA ASN 6 HA ASN 6 1.245 -4.678 -6.869 503 1HB ASN 6 2HB ASN 6 3.455 -4.402 -8.121 504 2HB ASN 6 1HB ASN 6 3.106 -6.003 -7.485 505 1HD2 ASN 6 1HD2 ASN 6 3.230 -7.719 -8.977 506 2HD2 ASN 6 2HD2 ASN 6 3.265 -7.526 -10.663 507 H LYS 7 H LYS 7 0.596 -4.482 -10.318 508 HA LYS 7 HA LYS 7 1.000 -1.653 -10.665 509 1HB LYS 7 2HB LYS 7 0.704 -3.514 -12.419 510 2HB LYS 7 1HB LYS 7 -1.026 -3.440 -12.046 511 1HG LYS 7 2HG LYS 7 -0.724 -2.025 -13.946 512 2HG LYS 7 1HG LYS 7 -0.888 -0.937 -12.570 513 1HD LYS 7 2HD LYS 7 1.570 -0.734 -12.432 514 2HD LYS 7 1HD LYS 7 1.737 -1.823 -13.811 515 1HE LYS 7 2HE LYS 7 0.797 -0.248 -15.318 516 2HE LYS 7 1HE LYS 7 0.096 0.717 -14.007 517 1HZ LYS 7 2HZ LYS 7 3.012 0.296 -14.459 518 2HZ LYS 7 1HZ LYS 7 2.156 1.710 -14.847 519 3HZ LYS 7 3HZ LYS 7 2.319 1.241 -13.226 520 H GLU 8 H GLU 8 -1.760 -3.591 -9.734 521 HA GLU 8 HA GLU 8 -3.714 -1.508 -9.680 522 1HB GLU 8 2HB GLU 8 -3.401 -4.269 -8.555 523 2HB GLU 8 1HB GLU 8 -4.775 -3.290 -8.046 524 1HG GLU 8 2HG GLU 8 -5.571 -4.463 -9.963 525 2HG GLU 8 1HG GLU 8 -5.184 -2.850 -10.546 526 H LEU 9 H LEU 9 -1.587 -2.801 -7.139 527 HA LEU 9 HA LEU 9 -2.855 -1.078 -5.166 528 1HB LEU 9 2HB LEU 9 -0.107 -2.247 -4.942 529 2HB LEU 9 1HB LEU 9 -1.186 -1.728 -3.717 530 HG LEU 9 HG LEU 9 -1.796 -3.845 -3.436 531 1HD1 LEU 9 1HD1 LEU 9 -3.767 -3.158 -4.793 532 2HD1 LEU 9 3HD1 LEU 9 -2.970 -3.936 -6.181 533 3HD1 LEU 9 2HD1 LEU 9 -3.414 -4.897 -4.773 534 1HD2 LEU 9 1HD2 LEU 9 -0.180 -4.238 -5.918 535 2HD2 LEU 9 3HD2 LEU 9 0.292 -4.551 -4.246 536 3HD2 LEU 9 2HD2 LEU 9 -0.890 -5.605 -5.059 537 H SER 10 H SER 10 -0.478 -0.627 -7.645 538 HA SER 10 HA SER 10 0.923 1.543 -6.341 539 1HB SER 10 2HB SER 10 2.228 0.996 -8.142 540 2HB SER 10 1HB SER 10 0.945 0.023 -8.826 541 HG SER 10 HG SER 10 1.342 2.823 -9.143 542 H VAL 11 H VAL 11 -1.715 1.301 -8.797 543 HA VAL 11 HA VAL 11 -2.270 4.201 -8.675 544 HB VAL 11 HB VAL 11 -3.877 1.941 -9.928 545 1HG1 VAL 11 3HG1 VAL 11 -3.664 4.907 -10.518 546 2HG1 VAL 11 2HG1 VAL 11 -4.547 3.751 -11.517 547 3HG1 VAL 11 1HG1 VAL 11 -5.065 4.061 -9.861 548 1HG2 VAL 11 1HG2 VAL 11 -1.540 3.512 -11.074 549 2HG2 VAL 11 3HG2 VAL 11 -1.560 1.782 -10.719 550 3HG2 VAL 11 2HG2 VAL 11 -2.579 2.433 -12.008 551 H ALA 12 H ALA 12 -4.211 1.274 -7.969 552 HA ALA 12 HA ALA 12 -6.291 2.587 -6.528 553 1HB ALA 12 3HB ALA 12 -6.130 0.229 -7.637 554 2HB ALA 12 1HB ALA 12 -7.077 0.396 -6.159 555 3HB ALA 12 2HB ALA 12 -5.444 -0.272 -6.086 556 H GLY 13 H GLY 13 -3.489 0.799 -5.339 557 1HA GLY 13 1HA GLY 13 -2.518 0.640 -3.237 558 2HA GLY 13 2HA GLY 13 -4.076 1.112 -2.571 559 H ARG 14 H ARG 14 -1.485 2.699 -4.448 560 HA ARG 14 HA ARG 14 -0.658 4.397 -2.382 561 1HB ARG 14 2HB ARG 14 0.013 3.917 -4.984 562 2HB ARG 14 1HB ARG 14 -0.515 5.591 -5.067 563 1HG ARG 14 2HG ARG 14 1.646 4.383 -3.311 564 2HG ARG 14 1HG ARG 14 1.856 5.570 -4.589 565 1HD ARG 14 2HD ARG 14 0.476 6.011 -1.915 566 2HD ARG 14 1HD ARG 14 1.984 6.747 -2.465 567 HE ARG 14 HE ARG 14 -0.699 7.473 -3.345 568 1HH1 ARG 14 1HH1 ARG 14 2.042 9.047 -2.829 569 2HH1 ARG 14 2HH1 ARG 14 2.249 9.734 -4.404 570 1HH2 ARG 14 1HH2 ARG 14 -0.186 7.733 -5.890 571 2HH2 ARG 14 2HH2 ARG 14 0.979 8.990 -6.146 572 H GLU 15 H GLU 15 -3.358 5.007 -4.708 573 HA GLU 15 HA GLU 15 -3.795 7.729 -3.775 574 1HB GLU 15 2HB GLU 15 -5.486 5.703 -5.250 575 2HB GLU 15 1HB GLU 15 -6.031 7.351 -4.937 576 1HG GLU 15 2HG GLU 15 -3.552 6.541 -6.497 577 2HG GLU 15 1HG GLU 15 -5.027 7.230 -7.169 578 H ILE 16 H ILE 16 -5.272 4.593 -2.857 579 HA ILE 16 HA ILE 16 -7.263 5.445 -0.995 580 HB ILE 16 HB ILE 16 -5.486 2.997 -1.275 581 1HG1 ILE 16 2HG1 ILE 16 -8.475 3.266 -1.707 582 2HG1 ILE 16 1HG1 ILE 16 -7.315 3.645 -2.970 583 1HG2 ILE 16 1HG2 ILE 16 -7.537 3.599 0.842 584 2HG2 ILE 16 3HG2 ILE 16 -7.456 1.954 0.201 585 3HG2 ILE 16 2HG2 ILE 16 -6.037 2.674 0.966 586 1HD1 ILE 16 1HD1 ILE 16 -6.398 1.216 -2.276 587 2HD1 ILE 16 3HD1 ILE 16 -8.092 1.012 -1.823 588 3HD1 ILE 16 2HD1 ILE 16 -7.668 1.444 -3.482 589 H VAL 17 H VAL 17 -3.833 4.796 -0.571 590 HA VAL 17 HA VAL 17 -3.816 5.173 2.321 591 HB VAL 17 HB VAL 17 -2.480 3.644 0.821 592 1HG1 VAL 17 1HG1 VAL 17 -1.475 6.141 -0.161 593 2HG1 VAL 17 3HG1 VAL 17 -0.191 5.046 0.328 594 3HG1 VAL 17 2HG1 VAL 17 -1.396 4.530 -0.857 595 1HG2 VAL 17 3HG2 VAL 17 -1.398 5.229 3.049 596 2HG2 VAL 17 2HG2 VAL 17 -1.720 3.486 2.935 597 3HG2 VAL 17 1HG2 VAL 17 -0.284 4.184 2.167 598 H THR 18 H THR 18 -3.372 7.336 -0.438 599 HA THR 18 HA THR 18 -2.022 9.325 1.317 600 HB THR 18 HB THR 18 -1.511 10.454 -0.840 601 HG1 THR 18 HG1 THR 18 -2.953 9.894 -2.299 602 1HG2 THR 18 2HG2 THR 18 -0.074 8.692 0.242 603 2HG2 THR 18 1HG2 THR 18 -0.805 7.523 -0.849 604 3HG2 THR 18 3HG2 THR 18 0.149 8.854 -1.499 605 H LEU 19 H LEU 19 -5.334 8.805 0.260 606 HA LEU 19 HA LEU 19 -5.837 11.652 -0.196 607 1HB LEU 19 2HB LEU 19 -8.218 11.040 0.092 608 2HB LEU 19 1HB LEU 19 -7.372 10.014 -1.044 609 HG LEU 19 HG LEU 19 -7.230 8.930 1.650 610 1HD1 LEU 19 2HD1 LEU 19 -9.364 10.324 1.614 611 2HD1 LEU 19 1HD1 LEU 19 -9.967 9.178 0.416 612 3HD1 LEU 19 3HD1 LEU 19 -9.553 8.625 2.034 613 1HD2 LEU 19 2HD2 LEU 19 -8.216 8.042 -1.076 614 2HD2 LEU 19 1HD2 LEU 19 -6.811 7.459 -0.185 615 3HD2 LEU 19 3HD2 LEU 19 -8.432 7.027 0.348 616 HA PRO 20 HA PRO 20 -5.307 13.168 3.836 617 1HB PRO 20 2HB PRO 20 -6.622 15.549 3.619 618 2HB PRO 20 1HB PRO 20 -5.058 15.210 2.855 619 1HG PRO 20 2HG PRO 20 -7.777 15.244 1.664 620 2HG PRO 20 1HG PRO 20 -6.233 15.759 0.972 621 1HD PRO 20 1HD PRO 20 -7.482 13.376 0.396 622 2HD PRO 20 2HD PRO 20 -5.736 13.671 0.219 623 H ASN 21 H ASN 21 -8.759 13.233 2.783 624 HA ASN 21 HA ASN 21 -9.757 13.809 5.452 625 1HB ASN 21 2HB ASN 21 -11.058 12.602 3.022 626 2HB ASN 21 1HB ASN 21 -11.936 13.080 4.456 627 1HD2 ASN 21 1HD2 ASN 21 -12.830 14.396 2.305 628 2HD2 ASN 21 2HD2 ASN 21 -12.210 15.974 2.200 629 H LEU 22 H LEU 22 -8.815 10.770 3.917 630 HA LEU 22 HA LEU 22 -10.303 8.975 5.628 631 1HB LEU 22 2HB LEU 22 -8.454 8.849 3.474 632 2HB LEU 22 1HB LEU 22 -7.778 7.887 4.782 633 HG LEU 22 HG LEU 22 -10.638 7.587 3.916 634 1HD1 LEU 22 3HD1 LEU 22 -8.310 6.957 2.378 635 2HD1 LEU 22 2HD1 LEU 22 -9.047 5.443 2.925 636 3HD1 LEU 22 1HD1 LEU 22 -10.004 6.609 2.010 637 1HD2 LEU 22 2HD2 LEU 22 -8.755 6.183 5.726 638 2HD2 LEU 22 1HD2 LEU 22 -10.502 6.396 5.855 639 3HD2 LEU 22 3HD2 LEU 22 -9.842 5.165 4.779 640 H ASN 23 H ASN 23 -9.490 7.737 7.421 641 HA ASN 23 HA ASN 23 -7.253 9.045 8.930 642 1HB ASN 23 2HB ASN 23 -8.344 8.210 10.951 643 2HB ASN 23 1HB ASN 23 -9.483 9.154 9.999 644 1HD2 ASN 23 1HD2 ASN 23 -10.460 7.311 11.911 645 2HD2 ASN 23 2HD2 ASN 23 -11.194 6.008 11.111 646 H ASP 24 H ASP 24 -5.744 7.653 10.027 647 HA ASP 24 HA ASP 24 -4.616 5.648 8.502 648 1HB ASP 24 2HB ASP 24 -3.240 5.123 10.453 649 2HB ASP 24 1HB ASP 24 -3.473 6.854 10.273 650 HA PRO 25 HA PRO 25 -6.632 2.042 10.963 651 1HB PRO 25 2HB PRO 25 -9.206 2.379 11.844 652 2HB PRO 25 1HB PRO 25 -7.778 2.670 12.857 653 1HG PRO 25 2HG PRO 25 -9.488 4.616 11.396 654 2HG PRO 25 1HG PRO 25 -8.772 4.734 13.010 655 1HD PRO 25 1HD PRO 25 -7.740 5.988 10.849 656 2HD PRO 25 2HD PRO 25 -6.753 5.430 12.205 657 H GLN 26 H GLN 26 -9.068 4.117 9.225 658 HA GLN 26 HA GLN 26 -10.380 1.879 7.952 659 1HB GLN 26 2HB GLN 26 -10.232 4.834 7.311 660 2HB GLN 26 1HB GLN 26 -11.243 3.706 6.411 661 1HG GLN 26 2HG GLN 26 -12.252 3.003 8.640 662 2HG GLN 26 1HG GLN 26 -11.419 4.379 9.359 663 1HE2 GLN 26 1HE2 GLN 26 -12.231 6.536 8.853 664 2HE2 GLN 26 2HE2 GLN 26 -13.697 6.766 8.033 665 H LYS 27 H LYS 27 -7.933 4.198 6.567 666 HA LYS 27 HA LYS 27 -7.544 2.809 4.108 667 1HB LYS 27 2HB LYS 27 -5.033 3.771 4.609 668 2HB LYS 27 1HB LYS 27 -6.355 4.697 3.914 669 1HG LYS 27 2HG LYS 27 -6.897 5.698 6.008 670 2HG LYS 27 1HG LYS 27 -5.759 4.648 6.864 671 1HD LYS 27 2HD LYS 27 -4.079 6.087 6.453 672 2HD LYS 27 1HD LYS 27 -4.393 6.016 4.721 673 1HE LYS 27 2HE LYS 27 -5.414 8.047 4.738 674 2HE LYS 27 1HE LYS 27 -6.412 7.606 6.136 675 1HZ LYS 27 3HZ LYS 27 -4.474 7.947 7.569 676 2HZ LYS 27 2HZ LYS 27 -3.550 8.424 6.224 677 3HZ LYS 27 1HZ LYS 27 -4.871 9.365 6.728 678 H LYS 28 H LYS 28 -6.325 2.107 7.344 679 HA LYS 28 HA LYS 28 -4.217 0.296 6.681 680 1HB LYS 28 2HB LYS 28 -5.732 1.138 8.990 681 2HB LYS 28 1HB LYS 28 -5.684 -0.621 8.996 682 1HG LYS 28 2HG LYS 28 -3.194 0.903 8.427 683 2HG LYS 28 1HG LYS 28 -3.726 0.754 10.090 684 1HD LYS 28 2HD LYS 28 -3.498 -1.574 10.087 685 2HD LYS 28 1HD LYS 28 -3.595 -1.677 8.328 686 1HE LYS 28 2HE LYS 28 -1.368 -1.104 8.023 687 2HE LYS 28 1HE LYS 28 -1.293 -0.163 9.522 688 1HZ LYS 28 3HZ LYS 28 -1.719 -3.105 9.505 689 2HZ LYS 28 2HZ LYS 28 -0.170 -2.409 9.586 690 3HZ LYS 28 1HZ LYS 28 -1.299 -2.119 10.821 691 H ALA 29 H ALA 29 -7.605 -0.556 7.635 692 HA ALA 29 HA ALA 29 -7.486 -3.294 6.742 693 1HB ALA 29 2HB ALA 29 -9.968 -3.117 6.922 694 2HB ALA 29 3HB ALA 29 -9.821 -1.362 7.030 695 3HB ALA 29 1HB ALA 29 -9.165 -2.384 8.310 696 H PHE 30 H PHE 30 -8.226 -0.256 5.097 697 HA PHE 30 HA PHE 30 -9.393 -1.228 2.667 698 1HB PHE 30 2HB PHE 30 -8.417 1.205 3.867 699 2HB PHE 30 1HB PHE 30 -7.782 1.104 2.234 700 HD1 PHE 30 HD1 PHE 30 -9.189 1.175 0.329 701 HD2 PHE 30 HD2 PHE 30 -10.830 1.254 4.292 702 HE1 PHE 30 HE1 PHE 30 -11.378 1.918 -0.572 703 HE2 PHE 30 HE2 PHE 30 -13.015 1.986 3.388 704 HZ PHE 30 HZ PHE 30 -13.281 2.326 0.955 705 H ILE 31 H ILE 31 -6.043 -0.127 3.256 706 HA ILE 31 HA ILE 31 -4.949 -0.960 0.775 707 HB ILE 31 HB ILE 31 -3.916 -0.451 3.565 708 1HG1 ILE 31 2HG1 ILE 31 -3.991 1.039 0.980 709 2HG1 ILE 31 1HG1 ILE 31 -4.119 1.645 2.641 710 1HG2 ILE 31 1HG2 ILE 31 -2.578 -2.305 2.176 711 2HG2 ILE 31 3HG2 ILE 31 -1.908 -0.876 1.375 712 3HG2 ILE 31 2HG2 ILE 31 -1.745 -1.090 3.123 713 1HD1 ILE 31 2HD1 ILE 31 -1.532 0.562 1.563 714 2HD1 ILE 31 1HD1 ILE 31 -1.996 2.223 1.309 715 3HD1 ILE 31 3HD1 ILE 31 -1.798 1.625 2.953 716 H PHE 32 H PHE 32 -5.203 -2.622 3.940 717 HA PHE 32 HA PHE 32 -3.832 -5.016 3.246 718 1HB PHE 32 2HB PHE 32 -5.811 -4.145 5.340 719 2HB PHE 32 1HB PHE 32 -5.438 -5.863 5.207 720 HD1 PHE 32 HD1 PHE 32 -3.671 -6.659 6.644 721 HD2 PHE 32 HD2 PHE 32 -3.451 -2.569 5.093 722 HE1 PHE 32 HE1 PHE 32 -1.544 -6.276 7.772 723 HE2 PHE 32 HE2 PHE 32 -1.350 -2.285 6.289 724 HZ PHE 32 HZ PHE 32 -0.385 -4.151 7.562 725 H SER 33 H SER 33 -7.336 -4.125 2.793 726 HA SER 33 HA SER 33 -8.007 -6.784 1.727 727 1HB SER 33 2HB SER 33 -10.141 -5.729 1.179 728 2HB SER 33 1HB SER 33 -9.642 -5.210 2.783 729 HG SER 33 HG SER 33 -9.460 -3.242 2.068 730 H LEU 34 H LEU 34 -6.868 -3.704 0.372 731 HA LEU 34 HA LEU 34 -7.176 -4.351 -2.442 732 1HB LEU 34 2HB LEU 34 -7.004 -2.124 -2.028 733 2HB LEU 34 1HB LEU 34 -5.971 -2.307 -0.648 734 HG LEU 34 HG LEU 34 -4.288 -2.956 -2.705 735 1HD1 LEU 34 3HD1 LEU 34 -6.358 -0.934 -3.692 736 2HD1 LEU 34 2HD1 LEU 34 -4.741 -1.075 -4.390 737 3HD1 LEU 34 1HD1 LEU 34 -5.860 -2.432 -4.484 738 1HD2 LEU 34 2HD2 LEU 34 -3.965 -1.359 -0.801 739 2HD2 LEU 34 1HD2 LEU 34 -3.435 -0.677 -2.329 740 3HD2 LEU 34 3HD2 LEU 34 -4.977 -0.192 -1.645 741 H TRP 35 H TRP 35 -4.678 -5.010 -0.008 742 HA TRP 35 HA TRP 35 -2.587 -5.809 -1.848 743 1HB TRP 35 2HB TRP 35 -2.251 -5.094 0.494 744 2HB TRP 35 1HB TRP 35 -3.090 -6.544 1.049 745 HD1 TRP 35 HD1 TRP 35 -1.615 -8.547 1.469 746 HE1 TRP 35 HE1 TRP 35 0.702 -9.322 0.715 747 HE3 TRP 35 HE3 TRP 35 -0.469 -4.814 -1.794 748 HZ2 TRP 35 HZ2 TRP 35 2.816 -8.429 -1.034 749 HZ3 TRP 35 HZ3 TRP 35 1.686 -4.808 -2.986 750 HH2 TRP 35 HH2 TRP 35 3.319 -6.597 -2.606 751 H ASP 36 H ASP 36 -4.777 -7.805 0.264 752 HA ASP 36 HA ASP 36 -4.014 -10.256 -1.188 753 1HB ASP 36 2HB ASP 36 -5.608 -9.524 1.244 754 2HB ASP 36 1HB ASP 36 -5.895 -11.094 0.507 755 H ASP 37 H ASP 37 -6.685 -7.963 -1.250 756 HA ASP 37 HA ASP 37 -8.046 -9.727 -3.238 757 1HB ASP 37 2HB ASP 37 -9.403 -7.802 -1.321 758 2HB ASP 37 1HB ASP 37 -10.175 -9.020 -2.325 759 HA PRO 38 HA PRO 38 -7.032 -5.387 -4.918 760 1HB PRO 38 2HB PRO 38 -5.388 -6.170 -6.940 761 2HB PRO 38 1HB PRO 38 -4.815 -5.746 -5.320 762 1HG PRO 38 2HG PRO 38 -5.350 -8.448 -6.473 763 2HG PRO 38 1HG PRO 38 -3.971 -7.895 -5.507 764 1HD PRO 38 1HD PRO 38 -5.959 -9.307 -4.422 765 2HD PRO 38 2HD PRO 38 -5.132 -8.000 -3.536 766 H SER 39 H SER 39 -8.561 -8.274 -5.923 767 HA SER 39 HA SER 39 -9.147 -7.799 -8.694 768 1HB SER 39 2HB SER 39 -9.753 -9.694 -6.821 769 2HB SER 39 1HB SER 39 -11.287 -8.835 -6.887 770 HG SER 39 HG SER 39 -11.579 -9.482 -8.898 771 H GLN 40 H GLN 40 -10.446 -6.556 -5.651 772 HA GLN 40 HA GLN 40 -12.453 -4.793 -6.965 773 1HB GLN 40 2HB GLN 40 -11.773 -4.831 -4.034 774 2HB GLN 40 1HB GLN 40 -13.334 -4.539 -4.795 775 1HG GLN 40 2HG GLN 40 -13.007 -7.083 -5.556 776 2HG GLN 40 1HG GLN 40 -11.971 -7.100 -4.125 777 1HE2 GLN 40 1HE2 GLN 40 -13.308 -5.494 -2.313 778 2HE2 GLN 40 2HE2 GLN 40 -14.856 -6.111 -1.997 779 H SER 41 H SER 41 -9.265 -4.439 -6.993 780 HA SER 41 HA SER 41 -8.517 -2.265 -5.349 781 1HB SER 41 2HB SER 41 -6.723 -1.950 -6.980 782 2HB SER 41 1HB SER 41 -6.975 -3.649 -6.623 783 HG SER 41 HG SER 41 -7.457 -3.947 -8.651 784 H ALA 42 H ALA 42 -10.059 -2.181 -8.598 785 HA ALA 42 HA ALA 42 -9.959 0.679 -8.966 786 1HB ALA 42 3HB ALA 42 -11.968 -1.411 -9.904 787 2HB ALA 42 2HB ALA 42 -11.803 0.209 -10.584 788 3HB ALA 42 1HB ALA 42 -10.489 -0.957 -10.749 789 H ASN 43 H ASN 43 -12.390 -1.506 -7.509 790 HA ASN 43 HA ASN 43 -14.240 0.530 -6.688 791 1HB ASN 43 2HB ASN 43 -14.733 -1.908 -6.999 792 2HB ASN 43 1HB ASN 43 -13.752 -2.252 -5.574 793 1HD2 ASN 43 1HD2 ASN 43 -16.672 -0.378 -6.585 794 2HD2 ASN 43 2HD2 ASN 43 -17.422 -0.456 -5.068 795 H LEU 44 H LEU 44 -11.372 -0.966 -5.144 796 HA LEU 44 HA LEU 44 -11.777 0.024 -2.480 797 1HB LEU 44 2HB LEU 44 -9.662 -1.210 -4.136 798 2HB LEU 44 1HB LEU 44 -9.067 -0.247 -2.787 799 HG LEU 44 HG LEU 44 -11.336 -2.081 -2.212 800 1HD1 LEU 44 3HD1 LEU 44 -8.854 -3.004 -3.419 801 2HD1 LEU 44 2HD1 LEU 44 -9.033 -3.638 -1.781 802 3HD1 LEU 44 1HD1 LEU 44 -10.295 -3.938 -2.983 803 1HD2 LEU 44 2HD2 LEU 44 -10.297 -0.551 -0.556 804 2HD2 LEU 44 1HD2 LEU 44 -10.124 -2.242 -0.084 805 3HD2 LEU 44 3HD2 LEU 44 -8.747 -1.374 -0.776 806 H LEU 45 H LEU 45 -9.703 1.203 -5.067 807 HA LEU 45 HA LEU 45 -8.760 3.612 -3.969 808 1HB LEU 45 2HB LEU 45 -7.954 2.686 -6.064 809 2HB LEU 45 1HB LEU 45 -9.547 2.829 -6.794 810 HG LEU 45 HG LEU 45 -9.407 5.180 -6.941 811 1HD1 LEU 45 3HD1 LEU 45 -7.289 4.878 -4.827 812 2HD1 LEU 45 2HD1 LEU 45 -7.320 6.320 -5.851 813 3HD1 LEU 45 1HD1 LEU 45 -8.710 5.927 -4.846 814 1HD2 LEU 45 3HD2 LEU 45 -7.794 3.833 -8.420 815 2HD2 LEU 45 2HD2 LEU 45 -7.453 5.555 -8.247 816 3HD2 LEU 45 1HD2 LEU 45 -6.520 4.374 -7.330 817 H ALA 46 H ALA 46 -11.739 3.046 -5.850 818 HA ALA 46 HA ALA 46 -12.771 5.726 -5.713 819 1HB ALA 46 3HB ALA 46 -13.800 2.942 -6.192 820 2HB ALA 46 1HB ALA 46 -13.710 4.292 -7.325 821 3HB ALA 46 2HB ALA 46 -14.955 4.273 -6.076 822 H GLU 47 H GLU 47 -13.329 2.807 -3.720 823 HA GLU 47 HA GLU 47 -15.217 3.838 -1.867 824 1HB GLU 47 2HB GLU 47 -14.263 1.430 -2.362 825 2HB GLU 47 1HB GLU 47 -13.067 1.847 -1.136 826 1HG GLU 47 2HG GLU 47 -14.850 0.744 0.025 827 2HG GLU 47 1HG GLU 47 -15.043 2.459 0.375 828 H ALA 48 H ALA 48 -11.678 4.025 -1.984 829 HA ALA 48 HA ALA 48 -11.194 5.035 0.679 830 1HB ALA 48 3HB ALA 48 -9.158 4.498 -0.192 831 2HB ALA 48 1HB ALA 48 -9.196 6.047 -1.044 832 3HB ALA 48 2HB ALA 48 -9.770 4.562 -1.845 833 H LYS 49 H LYS 49 -11.634 6.641 -2.494 834 HA LYS 49 HA LYS 49 -11.470 9.367 -1.553 835 1HB LYS 49 2HB LYS 49 -12.874 8.095 -3.937 836 2HB LYS 49 1HB LYS 49 -12.576 9.822 -3.762 837 1HG LYS 49 2HG LYS 49 -10.119 9.331 -3.605 838 2HG LYS 49 1HG LYS 49 -10.476 7.639 -3.941 839 1HD LYS 49 2HD LYS 49 -11.720 8.544 -6.039 840 2HD LYS 49 1HD LYS 49 -10.804 10.023 -5.756 841 1HE LYS 49 2HE LYS 49 -9.507 7.283 -6.007 842 2HE LYS 49 1HE LYS 49 -9.676 8.416 -7.358 843 1HZ LYS 49 2HZ LYS 49 -8.560 10.112 -5.925 844 2HZ LYS 49 1HZ LYS 49 -8.229 8.883 -4.798 845 3HZ LYS 49 3HZ LYS 49 -7.561 8.806 -6.352 846 H LYS 50 H LYS 50 -14.235 7.145 -2.101 847 HA LYS 50 HA LYS 50 -16.328 8.986 -1.333 848 1HB LYS 50 2HB LYS 50 -16.068 5.966 -1.455 849 2HB LYS 50 1HB LYS 50 -17.591 6.770 -1.064 850 1HG LYS 50 2HG LYS 50 -17.791 7.726 -3.194 851 2HG LYS 50 1HG LYS 50 -16.062 7.605 -3.522 852 1HD LYS 50 2HD LYS 50 -17.111 5.919 -4.860 853 2HD LYS 50 1HD LYS 50 -16.358 5.072 -3.510 854 1HE LYS 50 2HE LYS 50 -19.045 5.867 -2.764 855 2HE LYS 50 1HE LYS 50 -19.084 4.951 -4.284 856 1HZ LYS 50 3HZ LYS 50 -17.651 3.272 -3.260 857 2HZ LYS 50 2HZ LYS 50 -17.656 4.139 -1.796 858 3HZ LYS 50 1HZ LYS 50 -19.092 3.450 -2.386 859 H LEU 51 H LEU 51 -14.385 6.628 0.525 860 HA LEU 51 HA LEU 51 -15.772 6.792 3.042 861 1HB LEU 51 2HB LEU 51 -14.063 5.087 2.309 862 2HB LEU 51 1HB LEU 51 -12.817 6.317 2.437 863 HG LEU 51 HG LEU 51 -14.575 5.410 4.743 864 1HD1 LEU 51 3HD1 LEU 51 -12.313 4.158 3.506 865 2HD1 LEU 51 2HD1 LEU 51 -11.862 4.702 5.116 866 3HD1 LEU 51 1HD1 LEU 51 -13.238 3.623 4.908 867 1HD2 LEU 51 3HD2 LEU 51 -12.391 7.425 4.437 868 2HD2 LEU 51 2HD2 LEU 51 -13.811 7.463 5.483 869 3HD2 LEU 51 1HD2 LEU 51 -12.416 6.476 5.922 870 H ASN 52 H ASN 52 -12.915 8.563 1.786 871 HA ASN 52 HA ASN 52 -12.326 10.153 4.005 872 1HB ASN 52 2HB ASN 52 -10.803 10.903 2.521 873 2HB ASN 52 1HB ASN 52 -11.519 9.794 1.390 874 1HD2 ASN 52 1HD2 ASN 52 -10.223 12.582 1.087 875 2HD2 ASN 52 2HD2 ASN 52 -11.349 13.461 0.171 876 H ASP 53 H ASP 53 -14.943 10.534 1.635 877 HA ASP 53 HA ASP 53 -15.728 13.217 2.240 878 1HB ASP 53 2HB ASP 53 -16.352 11.708 0.267 879 2HB ASP 53 1HB ASP 53 -17.509 10.934 1.350 880 H ALA 54 H ALA 54 -16.487 10.076 3.767 881 HA ALA 54 HA ALA 54 -18.786 10.899 5.297 882 1HB ALA 54 3HB ALA 54 -17.719 8.588 4.718 883 2HB ALA 54 2HB ALA 54 -16.754 8.853 6.173 884 3HB ALA 54 1HB ALA 54 -18.515 8.780 6.283 885 H GLN 55 H GLN 55 -15.297 11.148 5.928 886 HA GLN 55 HA GLN 55 -15.712 12.170 8.681 887 1HB GLN 55 2HB GLN 55 -13.388 11.421 6.907 888 2HB GLN 55 1HB GLN 55 -13.125 12.185 8.462 889 1HG GLN 55 2HG GLN 55 -14.182 10.392 9.643 890 2HG GLN 55 1HG GLN 55 -14.821 9.704 8.149 891 1HE2 GLN 55 1HE2 GLN 55 -12.689 9.614 6.458 892 2HE2 GLN 55 2HE2 GLN 55 -11.438 8.673 7.113 893 H ALA 56 H ALA 56 -14.617 13.341 5.482 894 HA ALA 56 HA ALA 56 -14.971 16.165 6.418 895 1HB ALA 56 3HB ALA 56 -12.674 16.032 6.615 896 2HB ALA 56 1HB ALA 56 -12.767 16.376 4.887 897 3HB ALA 56 2HB ALA 56 -12.557 14.716 5.445 898 HA PRO 57 HA PRO 57 -16.953 16.589 2.465 899 1HB PRO 57 2HB PRO 57 -16.474 19.224 1.891 900 2HB PRO 57 1HB PRO 57 -17.649 18.692 3.111 901 1HG PRO 57 2HG PRO 57 -14.859 19.673 3.471 902 2HG PRO 57 1HG PRO 57 -16.310 20.027 4.424 903 1HD PRO 57 1HD PRO 57 -14.423 18.257 5.226 904 2HD PRO 57 2HD PRO 57 -16.144 18.084 5.643 905 H LYS 58 H LYS 58 -16.449 16.510 0.239 906 HA LYS 58 HA LYS 58 -13.550 16.429 -0.452 907 1HB LYS 58 2HB LYS 58 -16.109 15.393 -1.694 908 2HB LYS 58 1HB LYS 58 -14.587 15.378 -2.584 909 1HG LYS 58 2HG LYS 58 -13.537 14.049 -0.805 910 2HG LYS 58 1HG LYS 58 -15.028 14.095 0.127 911 1HD LYS 58 2HD LYS 58 -15.068 11.988 -0.973 912 2HD LYS 58 1HD LYS 58 -16.162 13.005 -1.901 913 1HE LYS 58 2HE LYS 58 -14.729 11.754 -3.446 914 2HE LYS 58 1HE LYS 58 -14.264 13.465 -3.508 915 1HZ LYS 58 2HZ LYS 58 -12.977 11.567 -1.620 916 2HZ LYS 58 1HZ LYS 58 -12.398 11.774 -3.203 917 3HZ LYS 58 3HZ LYS 58 -12.415 13.087 -2.134 No H/Q in entry = 917 Start of MODEL 27 1 H1 VAL 1 3H VAL 1 0.486 -22.707 7.517 2 H2 VAL 1 2H VAL 1 -1.044 -22.214 8.070 3 H3 VAL 1 1H VAL 1 -0.867 -22.859 6.506 4 HA VAL 1 HA VAL 1 0.335 -20.957 5.742 5 HB VAL 1 HB VAL 1 -2.115 -20.327 7.438 6 1HG1 VAL 1 1HG1 VAL 1 -0.697 -18.652 5.344 7 2HG1 VAL 1 3HG1 VAL 1 -2.366 -18.364 5.836 8 3HG1 VAL 1 2HG1 VAL 1 -1.061 -18.207 7.011 9 1HG2 VAL 1 3HG2 VAL 1 -1.675 -21.088 4.538 10 2HG2 VAL 1 2HG2 VAL 1 -2.667 -21.916 5.738 11 3HG2 VAL 1 1HG2 VAL 1 -3.176 -20.354 5.100 12 H ASP 2 H ASP 2 1.848 -19.375 6.225 13 HA ASP 2 HA ASP 2 2.764 -19.084 9.007 14 1HB ASP 2 2HB ASP 2 4.267 -19.297 7.016 15 2HB ASP 2 1HB ASP 2 3.660 -17.753 6.420 16 H ASN 3 H ASN 3 1.562 -17.747 10.297 17 HA ASN 3 HA ASN 3 -0.187 -15.648 9.463 18 1HB ASN 3 2HB ASN 3 1.214 -16.273 12.077 19 2HB ASN 3 1HB ASN 3 -0.016 -15.020 11.927 20 1HD2 ASN 3 1HD2 ASN 3 0.451 -18.404 12.408 21 2HD2 ASN 3 2HD2 ASN 3 -1.167 -18.878 12.215 22 H LYS 4 H LYS 4 3.268 -15.520 10.378 23 HA LYS 4 HA LYS 4 3.590 -12.707 10.679 24 1HB LYS 4 2HB LYS 4 5.287 -14.333 11.302 25 2HB LYS 4 1HB LYS 4 5.407 -14.916 9.651 26 1HG LYS 4 2HG LYS 4 6.338 -12.755 8.927 27 2HG LYS 4 1HG LYS 4 6.175 -12.126 10.569 28 1HD LYS 4 2HD LYS 4 8.454 -12.830 10.335 29 2HD LYS 4 1HD LYS 4 7.660 -14.056 11.323 30 1HE LYS 4 2HE LYS 4 7.434 -14.642 8.456 31 2HE LYS 4 1HE LYS 4 9.119 -14.555 8.996 32 1HZ LYS 4 3HZ LYS 4 8.565 -16.033 10.840 33 2HZ LYS 4 2HZ LYS 4 6.956 -16.137 10.302 34 3HZ LYS 4 1HZ LYS 4 8.215 -16.772 9.356 35 H PHE 5 H PHE 5 4.470 -14.574 7.715 36 HA PHE 5 HA PHE 5 4.629 -12.254 6.053 37 1HB PHE 5 2HB PHE 5 4.381 -15.213 5.468 38 2HB PHE 5 1HB PHE 5 4.658 -14.005 4.213 39 HD1 PHE 5 HD1 PHE 5 6.414 -16.387 5.684 40 HD2 PHE 5 HD2 PHE 5 6.477 -12.095 5.539 41 HE1 PHE 5 HE1 PHE 5 8.830 -16.398 6.235 42 HE2 PHE 5 HE2 PHE 5 8.887 -12.109 6.095 43 HZ PHE 5 HZ PHE 5 10.059 -14.257 6.449 44 H ASN 6 H ASN 6 1.889 -14.317 6.925 45 HA ASN 6 HA ASN 6 0.089 -13.829 4.804 46 1HB ASN 6 2HB ASN 6 -0.224 -15.308 6.824 47 2HB ASN 6 1HB ASN 6 -0.532 -13.862 7.781 48 1HD2 ASN 6 1HD2 ASN 6 -1.790 -15.709 4.960 49 2HD2 ASN 6 2HD2 ASN 6 -3.379 -15.132 5.104 50 H LYS 7 H LYS 7 0.524 -11.801 7.779 51 HA LYS 7 HA LYS 7 -0.985 -9.597 6.460 52 1HB LYS 7 2HB LYS 7 -1.590 -10.203 8.725 53 2HB LYS 7 1HB LYS 7 0.080 -9.972 9.276 54 1HG LYS 7 2HG LYS 7 -1.243 -7.704 7.879 55 2HG LYS 7 1HG LYS 7 -1.854 -8.087 9.484 56 1HD LYS 7 2HD LYS 7 1.017 -7.419 8.760 57 2HD LYS 7 1HD LYS 7 -0.108 -6.389 9.634 58 1HE LYS 7 2HE LYS 7 0.636 -7.322 11.565 59 2HE LYS 7 1HE LYS 7 -0.050 -8.870 11.037 60 1HZ LYS 7 3HZ LYS 7 1.974 -9.291 9.759 61 2HZ LYS 7 2HZ LYS 7 2.635 -7.813 10.279 62 3HZ LYS 7 1HZ LYS 7 2.345 -9.058 11.397 63 H GLU 8 H GLU 8 2.381 -10.448 7.162 64 HA GLU 8 HA GLU 8 3.477 -7.816 7.319 65 1HB GLU 8 2HB GLU 8 4.499 -10.548 6.639 66 2HB GLU 8 1HB GLU 8 5.527 -9.168 6.272 67 1HG GLU 8 2HG GLU 8 4.332 -9.820 8.985 68 2HG GLU 8 1HG GLU 8 6.027 -10.035 8.508 69 H GLN 9 H GLN 9 2.614 -9.842 4.556 70 HA GLN 9 HA GLN 9 3.841 -8.297 2.534 71 1HB GLN 9 2HB GLN 9 1.302 -9.953 2.510 72 2HB GLN 9 1HB GLN 9 2.127 -9.351 1.081 73 1HG GLN 9 2HG GLN 9 4.093 -10.660 1.576 74 2HG GLN 9 1HG GLN 9 3.400 -11.200 3.097 75 1HE2 GLN 9 1HE2 GLN 9 2.945 -11.373 -0.459 76 2HE2 GLN 9 2HE2 GLN 9 2.045 -12.810 -0.426 77 H GLN 10 H GLN 10 0.696 -7.988 4.209 78 HA GLN 10 HA GLN 10 -0.102 -5.611 2.651 79 1HB GLN 10 2HB GLN 10 -1.599 -5.683 4.996 80 2HB GLN 10 1HB GLN 10 -2.140 -6.049 3.393 81 1HG GLN 10 2HG GLN 10 -0.841 -8.163 5.094 82 2HG GLN 10 1HG GLN 10 -2.535 -7.759 5.279 83 1HE2 GLN 10 1HE2 GLN 10 -0.465 -9.810 3.573 84 2HE2 GLN 10 2HE2 GLN 10 -1.505 -10.192 2.287 85 H ASN 11 H ASN 11 1.277 -6.226 5.894 86 HA ASN 11 HA ASN 11 1.160 -3.463 6.727 87 1HB ASN 11 2HB ASN 11 1.708 -5.674 8.045 88 2HB ASN 11 1HB ASN 11 3.363 -5.367 7.521 89 1HD2 ASN 11 1HD2 ASN 11 4.551 -3.744 8.625 90 2HD2 ASN 11 2HD2 ASN 11 3.886 -2.761 9.839 91 H ALA 12 H ALA 12 3.647 -5.395 5.036 92 HA ALA 12 HA ALA 12 5.607 -3.293 4.766 93 1HB ALA 12 1HB ALA 12 4.996 -5.936 3.439 94 2HB ALA 12 2HB ALA 12 6.391 -5.488 4.432 95 3HB ALA 12 3HB ALA 12 6.250 -4.875 2.780 96 H PHE 13 H PHE 13 3.034 -4.557 2.616 97 HA PHE 13 HA PHE 13 3.381 -2.817 0.369 98 1HB PHE 13 2HB PHE 13 1.897 -4.748 0.261 99 2HB PHE 13 1HB PHE 13 0.992 -4.201 1.665 100 HD1 PHE 13 HD1 PHE 13 2.105 -2.552 -1.500 101 HD2 PHE 13 HD2 PHE 13 -1.151 -3.526 1.099 102 HE1 PHE 13 HE1 PHE 13 0.549 -1.417 -3.035 103 HE2 PHE 13 HE2 PHE 13 -2.714 -2.388 -0.426 104 HZ PHE 13 HZ PHE 13 -1.862 -1.342 -2.486 105 H TYR 14 H TYR 14 1.198 -2.585 3.126 106 HA TYR 14 HA TYR 14 0.032 -0.065 2.833 107 1HB TYR 14 2HB TYR 14 -0.535 -1.832 4.421 108 2HB TYR 14 1HB TYR 14 0.986 -1.590 5.270 109 HD1 TYR 14 HD1 TYR 14 -2.236 0.016 4.356 110 HD2 TYR 14 HD2 TYR 14 1.237 0.106 6.881 111 HE1 TYR 14 HE1 TYR 14 -3.326 1.648 5.781 112 HE2 TYR 14 HE2 TYR 14 0.154 1.807 8.313 113 HH TYR 14 HH TYR 14 -1.813 3.627 7.837 114 H GLU 15 H GLU 15 2.958 -0.852 4.802 115 HA GLU 15 HA GLU 15 3.660 1.841 5.433 116 1HB GLU 15 2HB GLU 15 5.245 -0.731 5.216 117 2HB GLU 15 1HB GLU 15 5.930 0.767 5.846 118 1HG GLU 15 2HG GLU 15 3.482 -0.642 6.976 119 2HG GLU 15 1HG GLU 15 5.094 -0.706 7.671 120 H ILE 16 H ILE 16 4.742 -0.267 2.672 121 HA ILE 16 HA ILE 16 6.578 1.554 1.453 122 HB ILE 16 HB ILE 16 4.785 -0.690 0.575 123 1HG1 ILE 16 2HG1 ILE 16 7.591 -0.457 -0.320 124 2HG1 ILE 16 1HG1 ILE 16 7.381 -0.437 1.426 125 1HG2 ILE 16 1HG2 ILE 16 6.007 1.277 -1.353 126 2HG2 ILE 16 3HG2 ILE 16 5.724 -0.407 -1.803 127 3HG2 ILE 16 2HG2 ILE 16 4.368 0.621 -1.340 128 1HD1 ILE 16 1HD1 ILE 16 5.756 -2.469 0.069 129 2HD1 ILE 16 3HD1 ILE 16 7.508 -2.703 -0.115 130 3HD1 ILE 16 2HD1 ILE 16 6.797 -2.605 1.497 131 H LEU 17 H LEU 17 3.041 1.322 1.101 132 HA LEU 17 HA LEU 17 2.694 3.596 -0.686 133 1HB LEU 17 2HB LEU 17 0.842 2.219 1.288 134 2HB LEU 17 1HB LEU 17 0.314 3.359 0.060 135 HG LEU 17 HG LEU 17 1.975 1.178 -0.999 136 1HD1 LEU 17 2HD1 LEU 17 0.016 0.485 0.897 137 2HD1 LEU 17 1HD1 LEU 17 -0.722 0.253 -0.704 138 3HD1 LEU 17 3HD1 LEU 17 0.780 -0.565 -0.299 139 1HD2 LEU 17 2HD2 LEU 17 0.373 2.957 -2.131 140 2HD2 LEU 17 1HD2 LEU 17 0.532 1.304 -2.771 141 3HD2 LEU 17 3HD2 LEU 17 -0.850 1.708 -1.726 142 H HIS 18 H HIS 18 2.401 3.242 2.883 143 HA HIS 18 HA HIS 18 1.550 5.964 3.358 144 1HB HIS 18 2HB HIS 18 2.583 3.684 5.053 145 2HB HIS 18 1HB HIS 18 2.276 5.265 5.763 146 HD1 HIS 18 HD1 HIS 18 -0.242 6.167 5.650 147 HD2 HIS 18 HD2 HIS 18 0.235 2.181 4.545 148 HE1 HIS 18 HE1 HIS 18 -2.545 5.045 5.544 149 H LEU 19 H LEU 19 4.783 4.530 3.011 150 HA LEU 19 HA LEU 19 6.362 6.301 4.551 151 1HB LEU 19 2HB LEU 19 6.800 4.748 2.002 152 2HB LEU 19 1HB LEU 19 8.081 5.783 2.629 153 HG LEU 19 HG LEU 19 6.717 3.597 4.236 154 1HD1 LEU 19 2HD1 LEU 19 9.215 3.612 2.556 155 2HD1 LEU 19 1HD1 LEU 19 9.091 2.549 3.961 156 3HD1 LEU 19 3HD1 LEU 19 7.941 2.397 2.632 157 1HD2 LEU 19 2HD2 LEU 19 8.167 5.782 5.127 158 2HD2 LEU 19 1HD2 LEU 19 7.938 4.272 6.011 159 3HD2 LEU 19 3HD2 LEU 19 9.386 4.510 5.034 160 HA PRO 20 HA PRO 20 5.342 10.151 2.498 161 1HB PRO 20 2HB PRO 20 7.073 11.723 3.934 162 2HB PRO 20 1HB PRO 20 5.502 11.168 4.546 163 1HG PRO 20 2HG PRO 20 8.223 10.033 5.028 164 2HG PRO 20 1HG PRO 20 6.908 10.332 6.181 165 1HD PRO 20 1HD PRO 20 7.387 7.880 5.224 166 2HD PRO 20 2HD PRO 20 5.731 8.447 5.533 167 H ASN 21 H ASN 21 8.603 8.721 2.520 168 HA ASN 21 HA ASN 21 9.418 10.703 0.430 169 1HB ASN 21 2HB ASN 21 10.984 8.924 2.307 170 2HB ASN 21 1HB ASN 21 11.731 9.908 1.052 171 1HD2 ASN 21 1HD2 ASN 21 10.901 9.966 4.318 172 2HD2 ASN 21 2HD2 ASN 21 10.831 11.646 4.536 173 H LEU 22 H LEU 22 7.940 7.771 0.414 174 HA LEU 22 HA LEU 22 9.676 6.469 -1.601 175 1HB LEU 22 2HB LEU 22 7.164 5.758 -0.091 176 2HB LEU 22 1HB LEU 22 7.531 4.896 -1.579 177 HG LEU 22 HG LEU 22 8.899 4.779 1.072 178 1HD1 LEU 22 3HD1 LEU 22 8.220 2.905 -1.187 179 2HD1 LEU 22 2HD1 LEU 22 9.320 2.412 0.106 180 3HD1 LEU 22 1HD1 LEU 22 7.653 2.861 0.484 181 1HD2 LEU 22 2HD2 LEU 22 10.371 4.512 -1.568 182 2HD2 LEU 22 1HD2 LEU 22 10.741 5.635 -0.238 183 3HD2 LEU 22 3HD2 LEU 22 10.977 3.894 -0.028 184 H ASN 23 H ASN 23 9.287 6.536 -3.744 185 HA ASN 23 HA ASN 23 6.978 8.203 -4.690 186 1HB ASN 23 2HB ASN 23 8.476 8.475 -6.751 187 2HB ASN 23 1HB ASN 23 9.042 9.238 -5.282 188 1HD2 ASN 23 1HD2 ASN 23 11.125 8.608 -4.517 189 2HD2 ASN 23 2HD2 ASN 23 12.029 7.341 -5.193 190 H GLU 24 H GLU 24 6.733 7.526 -7.257 191 HA GLU 24 HA GLU 24 5.347 5.004 -7.215 192 1HB GLU 24 2HB GLU 24 6.331 6.837 -9.434 193 2HB GLU 24 1HB GLU 24 5.331 5.420 -9.749 194 1HG GLU 24 2HG GLU 24 4.018 6.743 -7.657 195 2HG GLU 24 1HG GLU 24 4.548 8.038 -8.728 196 H GLU 25 H GLU 25 8.627 5.878 -8.427 197 HA GLU 25 HA GLU 25 9.219 3.326 -9.628 198 1HB GLU 25 2HB GLU 25 10.478 5.468 -9.939 199 2HB GLU 25 1HB GLU 25 11.076 5.326 -8.287 200 1HG GLU 25 2HG GLU 25 12.046 3.078 -8.920 201 2HG GLU 25 1HG GLU 25 11.619 3.437 -10.593 202 H GLN 26 H GLN 26 9.895 4.594 -6.336 203 HA GLN 26 HA GLN 26 11.058 2.098 -5.365 204 1HB GLN 26 2HB GLN 26 10.032 4.563 -3.931 205 2HB GLN 26 1HB GLN 26 11.038 3.312 -3.207 206 1HG GLN 26 2HG GLN 26 11.914 4.824 -5.681 207 2HG GLN 26 1HG GLN 26 12.240 5.425 -4.064 208 1HE2 GLN 26 1HE2 GLN 26 14.533 5.091 -4.037 209 2HE2 GLN 26 2HE2 GLN 26 15.243 3.555 -4.163 210 H ARG 27 H ARG 27 7.973 3.761 -4.520 211 HA ARG 27 HA ARG 27 6.932 1.684 -2.873 212 1HB ARG 27 2HB ARG 27 6.063 3.975 -2.918 213 2HB ARG 27 1HB ARG 27 5.548 3.780 -4.590 214 1HG ARG 27 2HG ARG 27 4.094 1.854 -3.765 215 2HG ARG 27 1HG ARG 27 4.411 2.450 -2.138 216 1HD ARG 27 2HD ARG 27 2.337 3.451 -2.904 217 2HD ARG 27 1HD ARG 27 3.578 4.719 -2.931 218 HE ARG 27 HE ARG 27 2.951 3.118 -5.389 219 1HH1 ARG 27 1HH1 ARG 27 4.780 5.727 -4.408 220 2HH1 ARG 27 2HH1 ARG 27 4.134 6.854 -5.548 221 1HH2 ARG 27 1HH2 ARG 27 1.555 4.758 -6.582 222 2HH2 ARG 27 2HH2 ARG 27 2.297 6.307 -6.776 223 H ASN 28 H ASN 28 6.253 2.307 -6.402 224 HA ASN 28 HA ASN 28 4.395 0.110 -6.695 225 1HB ASN 28 2HB ASN 28 6.117 1.386 -8.821 226 2HB ASN 28 1HB ASN 28 4.641 0.499 -9.093 227 1HD2 ASN 28 1HD2 ASN 28 4.700 3.025 -10.152 228 2HD2 ASN 28 2HD2 ASN 28 3.751 4.090 -9.233 229 H ALA 29 H ALA 29 7.917 0.388 -7.367 230 HA ALA 29 HA ALA 29 8.334 -2.251 -8.424 231 1HB ALA 29 1HB ALA 29 9.932 -0.330 -8.389 232 2HB ALA 29 2HB ALA 29 10.641 -1.831 -7.788 233 3HB ALA 29 3HB ALA 29 10.125 -0.580 -6.653 234 H PHE 30 H PHE 30 8.221 -0.965 -5.114 235 HA PHE 30 HA PHE 30 8.998 -3.329 -3.705 236 1HB PHE 30 2HB PHE 30 7.428 -0.828 -3.128 237 2HB PHE 30 1HB PHE 30 7.504 -2.105 -1.918 238 HD1 PHE 30 HD1 PHE 30 10.427 -2.947 -3.084 239 HD2 PHE 30 HD2 PHE 30 8.664 0.645 -1.528 240 HE1 PHE 30 HE1 PHE 30 12.626 -2.204 -2.333 241 HE2 PHE 30 HE2 PHE 30 10.890 1.390 -0.778 242 HZ PHE 30 HZ PHE 30 12.864 -0.081 -1.169 243 H ILE 31 H ILE 31 5.829 -2.059 -4.621 244 HA ILE 31 HA ILE 31 4.294 -4.226 -3.528 245 HB ILE 31 HB ILE 31 3.824 -2.222 -5.745 246 1HG1 ILE 31 2HG1 ILE 31 2.732 -2.270 -2.959 247 2HG1 ILE 31 1HG1 ILE 31 4.286 -1.541 -3.296 248 1HG2 ILE 31 2HG2 ILE 31 2.265 -4.501 -4.981 249 2HG2 ILE 31 1HG2 ILE 31 1.425 -3.009 -4.553 250 3HG2 ILE 31 3HG2 ILE 31 1.928 -3.290 -6.218 251 1HD1 ILE 31 2HD1 ILE 31 1.731 -0.800 -4.733 252 2HD1 ILE 31 1HD1 ILE 31 2.357 0.051 -3.299 253 3HD1 ILE 31 3HD1 ILE 31 3.306 0.040 -4.790 254 H GLN 32 H GLN 32 6.179 -3.901 -6.551 255 HA GLN 32 HA GLN 32 5.021 -6.280 -7.831 256 1HB GLN 32 2HB GLN 32 7.540 -4.625 -8.235 257 2HB GLN 32 1HB GLN 32 7.116 -5.987 -9.271 258 1HG GLN 32 2HG GLN 32 5.014 -4.921 -9.888 259 2HG GLN 32 1HG GLN 32 5.322 -3.590 -8.778 260 1HE2 GLN 32 1HE2 GLN 32 6.330 -5.034 -11.875 261 2HE2 GLN 32 2HE2 GLN 32 7.213 -3.685 -12.404 262 H SER 33 H SER 33 8.097 -5.606 -6.060 263 HA SER 33 HA SER 33 9.036 -8.343 -5.937 264 1HB SER 33 2HB SER 33 10.442 -7.300 -4.043 265 2HB SER 33 1HB SER 33 10.635 -6.639 -5.660 266 HG SER 33 HG SER 33 8.993 -5.600 -3.577 267 H LEU 34 H LEU 34 6.870 -6.450 -3.949 268 HA LEU 34 HA LEU 34 6.796 -8.249 -1.654 269 1HB LEU 34 2HB LEU 34 6.541 -5.755 -1.694 270 2HB LEU 34 1HB LEU 34 5.024 -5.950 -2.555 271 HG LEU 34 HG LEU 34 4.263 -7.362 -0.550 272 1HD1 LEU 34 2HD1 LEU 34 6.689 -5.994 0.622 273 2HD1 LEU 34 1HD1 LEU 34 5.454 -6.853 1.541 274 3HD1 LEU 34 3HD1 LEU 34 6.476 -7.732 0.408 275 1HD2 LEU 34 2HD2 LEU 34 3.658 -4.945 -1.046 276 2HD2 LEU 34 1HD2 LEU 34 3.597 -5.402 0.652 277 3HD2 LEU 34 3HD2 LEU 34 4.964 -4.482 0.041 278 H LYS 35 H LYS 35 4.536 -7.491 -4.377 279 HA LYS 35 HA LYS 35 2.466 -9.331 -3.558 280 1HB LYS 35 2HB LYS 35 3.124 -7.692 -5.973 281 2HB LYS 35 1HB LYS 35 2.011 -8.999 -6.213 282 1HG LYS 35 2HG LYS 35 1.081 -7.872 -3.893 283 2HG LYS 35 1HG LYS 35 1.574 -6.485 -4.868 284 1HD LYS 35 2HD LYS 35 -0.029 -6.865 -6.453 285 2HD LYS 35 1HD LYS 35 0.088 -8.617 -6.303 286 1HE LYS 35 2HE LYS 35 -0.946 -7.366 -3.856 287 2HE LYS 35 1HE LYS 35 -1.970 -7.056 -5.266 288 1HZ LYS 35 2HZ LYS 35 -0.921 -9.728 -4.474 289 2HZ LYS 35 1HZ LYS 35 -2.506 -9.187 -4.199 290 3HZ LYS 35 3HZ LYS 35 -1.952 -9.409 -5.786 291 H ASP 36 H ASP 36 5.428 -9.760 -5.454 292 HA ASP 36 HA ASP 36 4.667 -12.513 -6.253 293 1HB ASP 36 2HB ASP 36 6.973 -10.638 -6.797 294 2HB ASP 36 1HB ASP 36 7.042 -12.332 -7.280 295 H ASP 37 H ASP 37 6.830 -10.906 -3.877 296 HA ASP 37 HA ASP 37 7.641 -13.634 -2.906 297 1HB ASP 37 2HB ASP 37 9.319 -11.875 -3.958 298 2HB ASP 37 1HB ASP 37 9.252 -11.160 -2.347 299 HA PRO 38 HA PRO 38 5.243 -12.055 0.654 300 1HB PRO 38 2HB PRO 38 4.931 -14.521 1.812 301 2HB PRO 38 1HB PRO 38 3.907 -13.938 0.485 302 1HG PRO 38 2HG PRO 38 6.261 -15.759 0.375 303 2HG PRO 38 1HG PRO 38 4.695 -15.891 -0.442 304 1HD PRO 38 1HD PRO 38 6.881 -14.988 -1.712 305 2HD PRO 38 2HD PRO 38 5.252 -14.362 -2.060 306 H SER 39 H SER 39 7.964 -14.404 0.774 307 HA SER 39 HA SER 39 8.634 -14.050 3.547 308 1HB SER 39 2HB SER 39 9.297 -15.922 1.981 309 2HB SER 39 1HB SER 39 10.456 -14.817 1.247 310 HG SER 39 HG SER 39 10.401 -15.928 3.835 311 H GLN 40 H GLN 40 9.742 -12.312 0.610 312 HA GLN 40 HA GLN 40 11.754 -10.758 2.085 313 1HB GLN 40 2HB GLN 40 11.424 -11.500 -0.511 314 2HB GLN 40 1HB GLN 40 10.756 -9.866 -0.575 315 1HG GLN 40 2HG GLN 40 12.932 -9.263 0.798 316 2HG GLN 40 1HG GLN 40 13.543 -10.750 0.075 317 1HE2 GLN 40 1HE2 GLN 40 13.178 -7.413 -0.486 318 2HE2 GLN 40 2HE2 GLN 40 13.395 -7.427 -2.168 319 H SER 41 H SER 41 8.364 -10.502 2.009 320 HA SER 41 HA SER 41 7.848 -7.791 1.479 321 1HB SER 41 2HB SER 41 6.553 -9.621 3.537 322 2HB SER 41 1HB SER 41 5.819 -8.169 2.860 323 HG SER 41 HG SER 41 5.342 -9.266 1.129 324 H ALA 42 H ALA 42 8.778 -9.173 4.720 325 HA ALA 42 HA ALA 42 8.628 -6.665 6.135 326 1HB ALA 42 1HB ALA 42 10.497 -9.017 6.444 327 2HB ALA 42 2HB ALA 42 8.913 -8.851 7.212 328 3HB ALA 42 3HB ALA 42 10.234 -7.762 7.655 329 H ASN 43 H ASN 43 11.364 -8.281 4.459 330 HA ASN 43 HA ASN 43 13.386 -6.297 4.829 331 1HB ASN 43 2HB ASN 43 12.808 -8.586 3.077 332 2HB ASN 43 1HB ASN 43 13.765 -7.326 2.286 333 1HD2 ASN 43 1HD2 ASN 43 13.762 -8.606 5.695 334 2HD2 ASN 43 2HD2 ASN 43 15.427 -8.933 5.715 335 H LEU 44 H LEU 44 10.812 -6.706 2.413 336 HA LEU 44 HA LEU 44 11.519 -4.543 0.676 337 1HB LEU 44 2HB LEU 44 9.022 -6.082 1.296 338 2HB LEU 44 1HB LEU 44 9.008 -4.751 0.131 339 HG LEU 44 HG LEU 44 10.953 -7.050 0.057 340 1HD1 LEU 44 3HD1 LEU 44 8.342 -7.321 -0.373 341 2HD1 LEU 44 2HD1 LEU 44 8.803 -6.700 -1.959 342 3HD1 LEU 44 1HD1 LEU 44 9.542 -8.180 -1.340 343 1HD2 LEU 44 1HD2 LEU 44 10.859 -4.431 -1.136 344 2HD2 LEU 44 3HD2 LEU 44 12.044 -5.734 -1.371 345 3HD2 LEU 44 2HD2 LEU 44 10.613 -5.672 -2.416 346 H LEU 45 H LEU 45 9.415 -4.754 3.534 347 HA LEU 45 HA LEU 45 8.698 -1.939 3.356 348 1HB LEU 45 2HB LEU 45 7.341 -3.348 4.671 349 2HB LEU 45 1HB LEU 45 8.709 -4.006 5.554 350 HG LEU 45 HG LEU 45 9.050 -1.944 6.728 351 1HD1 LEU 45 3HD1 LEU 45 7.023 -0.796 4.785 352 2HD1 LEU 45 2HD1 LEU 45 7.582 0.053 6.227 353 3HD1 LEU 45 1HD1 LEU 45 8.718 -0.340 4.937 354 1HD2 LEU 45 1HD2 LEU 45 7.132 -3.420 7.428 355 2HD2 LEU 45 3HD2 LEU 45 6.973 -1.737 7.932 356 3HD2 LEU 45 2HD2 LEU 45 6.054 -2.336 6.549 357 H ALA 46 H ALA 46 11.173 -3.783 5.254 358 HA ALA 46 HA ALA 46 12.502 -1.612 6.531 359 1HB ALA 46 1HB ALA 46 13.298 -4.276 5.338 360 2HB ALA 46 3HB ALA 46 14.569 -3.187 5.913 361 3HB ALA 46 2HB ALA 46 13.323 -3.758 7.035 362 H GLU 47 H GLU 47 13.134 -2.897 3.190 363 HA GLU 47 HA GLU 47 15.184 -0.936 2.665 364 1HB GLU 47 2HB GLU 47 14.958 -1.705 0.307 365 2HB GLU 47 1HB GLU 47 15.165 -3.029 1.444 366 1HG GLU 47 2HG GLU 47 12.642 -3.225 1.389 367 2HG GLU 47 1HG GLU 47 12.714 -2.169 -0.022 368 H ALA 48 H ALA 48 11.622 -1.054 2.155 369 HA ALA 48 HA ALA 48 11.451 1.469 0.765 370 1HB ALA 48 2HB ALA 48 9.793 -0.454 1.082 371 2HB ALA 48 1HB ALA 48 9.505 0.198 2.701 372 3HB ALA 48 3HB ALA 48 9.122 1.165 1.270 373 H LYS 49 H LYS 49 11.510 0.541 4.216 374 HA LYS 49 HA LYS 49 11.007 3.111 5.428 375 1HB LYS 49 2HB LYS 49 12.441 0.556 6.236 376 2HB LYS 49 1HB LYS 49 12.139 1.840 7.377 377 1HG LYS 49 2HG LYS 49 10.056 0.265 5.863 378 2HG LYS 49 1HG LYS 49 10.432 0.088 7.563 379 1HD LYS 49 2HD LYS 49 9.510 2.688 6.358 380 2HD LYS 49 1HD LYS 49 8.391 1.483 6.987 381 1HE LYS 49 2HE LYS 49 9.836 1.531 9.126 382 2HE LYS 49 1HE LYS 49 10.477 3.054 8.485 383 1HZ LYS 49 2HZ LYS 49 7.585 2.422 8.851 384 2HZ LYS 49 1HZ LYS 49 8.499 3.440 9.859 385 3HZ LYS 49 3HZ LYS 49 8.214 3.882 8.247 386 H LYS 50 H LYS 50 13.804 1.252 4.444 387 HA LYS 50 HA LYS 50 15.961 2.941 5.252 388 1HB LYS 50 2HB LYS 50 16.446 0.697 4.738 389 2HB LYS 50 1HB LYS 50 15.373 0.695 3.358 390 1HG LYS 50 2HG LYS 50 17.191 2.391 2.381 391 2HG LYS 50 1HG LYS 50 18.229 1.529 3.520 392 1HD LYS 50 2HD LYS 50 16.408 0.092 1.551 393 2HD LYS 50 1HD LYS 50 18.084 0.511 1.173 394 1HE LYS 50 2HE LYS 50 18.790 -0.757 3.258 395 2HE LYS 50 1HE LYS 50 17.112 -1.323 3.400 396 1HZ LYS 50 2HZ LYS 50 17.260 -2.141 1.101 397 2HZ LYS 50 1HZ LYS 50 18.893 -1.675 1.035 398 3HZ LYS 50 3HZ LYS 50 18.402 -2.893 2.106 399 H LEU 51 H LEU 51 13.985 2.719 2.290 400 HA LEU 51 HA LEU 51 15.411 4.739 0.771 401 1HB LEU 51 2HB LEU 51 12.969 3.083 0.618 402 2HB LEU 51 1HB LEU 51 12.855 4.615 -0.233 403 HG LEU 51 HG LEU 51 14.477 4.043 -1.764 404 1HD1 LEU 51 1HD1 LEU 51 15.603 2.348 0.438 405 2HD1 LEU 51 3HD1 LEU 51 16.032 1.988 -1.237 406 3HD1 LEU 51 2HD1 LEU 51 16.411 3.573 -0.546 407 1HD2 LEU 51 2HD2 LEU 51 13.017 1.621 -0.810 408 2HD2 LEU 51 1HD2 LEU 51 12.845 2.502 -2.329 409 3HD2 LEU 51 3HD2 LEU 51 14.231 1.436 -2.079 410 H ASN 52 H ASN 52 12.618 4.750 2.944 411 HA ASN 52 HA ASN 52 11.612 7.347 2.453 412 1HB ASN 52 2HB ASN 52 10.617 5.460 3.804 413 2HB ASN 52 1HB ASN 52 11.748 5.866 5.095 414 1HD2 ASN 52 1HD2 ASN 52 11.100 7.485 6.525 415 2HD2 ASN 52 2HD2 ASN 52 9.791 8.535 6.262 416 H ASP 53 H ASP 53 14.162 6.245 4.717 417 HA ASP 53 HA ASP 53 14.723 8.954 5.718 418 1HB ASP 53 2HB ASP 53 16.220 6.321 5.967 419 2HB ASP 53 1HB ASP 53 16.547 7.772 6.914 420 H ALA 54 H ALA 54 16.258 6.699 3.394 421 HA ALA 54 HA ALA 54 18.616 8.286 2.861 422 1HB ALA 54 1HB ALA 54 17.143 6.252 1.148 423 2HB ALA 54 3HB ALA 54 18.822 6.750 0.939 424 3HB ALA 54 2HB ALA 54 18.340 5.861 2.383 425 H GLN 55 H GLN 55 15.448 8.031 1.212 426 HA GLN 55 HA GLN 55 16.093 10.142 -0.740 427 1HB GLN 55 2HB GLN 55 13.546 8.636 -0.086 428 2HB GLN 55 1HB GLN 55 13.767 9.692 -1.477 429 1HG GLN 55 2HG GLN 55 15.628 8.228 -2.266 430 2HG GLN 55 1HG GLN 55 15.321 7.138 -0.910 431 1HE2 GLN 55 1HE2 GLN 55 12.684 6.756 -0.775 432 2HE2 GLN 55 2HE2 GLN 55 12.019 6.237 -2.248 433 H ALA 56 H ALA 56 15.144 10.198 2.527 434 HA ALA 56 HA ALA 56 13.106 12.216 2.582 435 1HB ALA 56 1HB ALA 56 14.750 12.409 4.886 436 2HB ALA 56 3HB ALA 56 13.224 11.541 4.730 437 3HB ALA 56 2HB ALA 56 14.744 10.708 4.413 438 HA PRO 57 HA PRO 57 15.306 15.903 1.806 439 1HB PRO 57 2HB PRO 57 13.882 17.675 3.339 440 2HB PRO 57 1HB PRO 57 13.278 16.995 1.814 441 1HG PRO 57 2HG PRO 57 12.667 16.181 4.615 442 2HG PRO 57 1HG PRO 57 11.584 16.330 3.219 443 1HD PRO 57 1HD PRO 57 12.543 13.950 4.091 444 2HD PRO 57 2HD PRO 57 12.157 14.269 2.386 445 H LYS 58 H LYS 58 14.813 14.938 5.192 446 HA LYS 58 HA LYS 58 17.278 16.466 5.969 447 1HB LYS 58 2HB LYS 58 15.104 17.123 7.027 448 2HB LYS 58 1HB LYS 58 14.957 15.488 7.671 449 1HG LYS 58 2HG LYS 58 15.909 16.735 9.447 450 2HG LYS 58 1HG LYS 58 17.283 15.899 8.725 451 1HD LYS 58 2HD LYS 58 17.145 18.210 7.220 452 2HD LYS 58 1HD LYS 58 16.679 18.777 8.823 453 1HE LYS 58 2HE LYS 58 19.027 18.963 8.917 454 2HE LYS 58 1HE LYS 58 18.772 17.353 9.616 455 1HZ LYS 58 1HZ LYS 58 19.239 17.871 6.719 456 2HZ LYS 58 3HZ LYS 58 20.438 17.363 7.804 457 3HZ LYS 58 2HZ LYS 58 19.117 16.351 7.472 458 H1 VAL 1 1H VAL 1 -0.598 -16.487 -17.796 459 H2 VAL 1 3H VAL 1 -0.116 -15.850 -19.293 460 H3 VAL 1 2H VAL 1 1.051 -16.301 -18.150 461 HA VAL 1 HA VAL 1 0.937 -13.945 -18.058 462 HB VAL 1 HB VAL 1 -1.340 -12.881 -17.617 463 1HG1 VAL 1 2HG1 VAL 1 -0.146 -13.092 -19.888 464 2HG1 VAL 1 1HG1 VAL 1 -1.312 -14.369 -20.242 465 3HG1 VAL 1 3HG1 VAL 1 -1.871 -12.729 -19.911 466 1HG2 VAL 1 1HG2 VAL 1 -2.427 -15.073 -16.906 467 2HG2 VAL 1 3HG2 VAL 1 -3.351 -14.119 -18.066 468 3HG2 VAL 1 2HG2 VAL 1 -2.443 -15.528 -18.609 469 H ASP 2 H ASP 2 1.129 -12.834 -16.054 470 HA ASP 2 HA ASP 2 1.109 -14.515 -13.654 471 1HB ASP 2 2HB ASP 2 1.702 -11.584 -14.192 472 2HB ASP 2 1HB ASP 2 1.924 -12.346 -12.619 473 H ASN 3 H ASN 3 -0.377 -14.478 -11.968 474 HA ASN 3 HA ASN 3 -2.883 -12.908 -12.374 475 1HB ASN 3 2HB ASN 3 -2.719 -15.454 -11.955 476 2HB ASN 3 1HB ASN 3 -2.293 -15.038 -10.295 477 1HD2 ASN 3 1HD2 ASN 3 -4.044 -14.679 -8.880 478 2HD2 ASN 3 2HD2 ASN 3 -5.642 -14.417 -9.382 479 H LYS 4 H LYS 4 -1.183 -11.051 -11.754 480 HA LYS 4 HA LYS 4 -1.565 -10.459 -8.851 481 1HB LYS 4 2HB LYS 4 0.807 -9.737 -8.734 482 2HB LYS 4 1HB LYS 4 0.680 -11.437 -9.174 483 1HG LYS 4 2HG LYS 4 0.903 -10.743 -11.598 484 2HG LYS 4 1HG LYS 4 1.241 -9.107 -11.036 485 1HD LYS 4 2HD LYS 4 3.137 -10.021 -9.679 486 2HD LYS 4 1HD LYS 4 2.842 -11.601 -10.406 487 1HE LYS 4 2HE LYS 4 3.016 -10.210 -12.680 488 2HE LYS 4 1HE LYS 4 3.974 -9.122 -11.660 489 1HZ LYS 4 2HZ LYS 4 4.394 -12.066 -11.776 490 2HZ LYS 4 1HZ LYS 4 5.283 -10.954 -12.700 491 3HZ LYS 4 3HZ LYS 4 5.381 -10.915 -11.009 492 H PHE 5 H PHE 5 -1.999 -8.287 -8.431 493 HA PHE 5 HA PHE 5 -2.097 -6.436 -10.791 494 1HB PHE 5 2HB PHE 5 -3.894 -7.145 -8.538 495 2HB PHE 5 1HB PHE 5 -3.856 -5.447 -8.974 496 HD1 PHE 5 HD1 PHE 5 -4.649 -4.681 -11.156 497 HD2 PHE 5 HD2 PHE 5 -4.676 -8.850 -10.116 498 HE1 PHE 5 HE1 PHE 5 -6.122 -5.155 -13.093 499 HE2 PHE 5 HE2 PHE 5 -6.147 -9.324 -12.055 500 HZ PHE 5 HZ PHE 5 -6.870 -7.476 -13.541 501 H ASN 6 H ASN 6 0.349 -6.624 -9.375 502 HA ASN 6 HA ASN 6 0.678 -4.835 -7.183 503 1HB ASN 6 2HB ASN 6 3.085 -4.733 -8.008 504 2HB ASN 6 1HB ASN 6 2.448 -6.351 -7.745 505 1HD2 ASN 6 1HD2 ASN 6 2.671 -7.790 -9.488 506 2HD2 ASN 6 2HD2 ASN 6 3.008 -7.324 -11.085 507 H LYS 7 H LYS 7 0.538 -4.181 -10.635 508 HA LYS 7 HA LYS 7 1.360 -1.432 -10.628 509 1HB LYS 7 2HB LYS 7 1.127 -2.873 -12.646 510 2HB LYS 7 1HB LYS 7 -0.618 -2.920 -12.389 511 1HG LYS 7 2HG LYS 7 0.245 -0.171 -12.389 512 2HG LYS 7 1HG LYS 7 0.881 -0.969 -13.828 513 1HD LYS 7 2HD LYS 7 -1.196 -1.323 -14.725 514 2HD LYS 7 1HD LYS 7 -1.947 -1.588 -13.153 515 1HE LYS 7 2HE LYS 7 -0.966 1.179 -13.780 516 2HE LYS 7 1HE LYS 7 -2.469 0.629 -14.542 517 1HZ LYS 7 3HZ LYS 7 -3.187 -0.128 -12.279 518 2HZ LYS 7 2HZ LYS 7 -1.837 0.680 -11.635 519 3HZ LYS 7 1HZ LYS 7 -3.047 1.554 -12.441 520 H GLU 8 H GLU 8 -1.768 -2.974 -10.101 521 HA GLU 8 HA GLU 8 -3.292 -0.540 -9.965 522 1HB GLU 8 2HB GLU 8 -3.685 -3.403 -9.511 523 2HB GLU 8 1HB GLU 8 -4.641 -2.404 -8.418 524 1HG GLU 8 2HG GLU 8 -4.634 -2.341 -11.435 525 2HG GLU 8 1HG GLU 8 -5.958 -2.793 -10.374 526 H LEU 9 H LEU 9 -1.509 -2.380 -7.536 527 HA LEU 9 HA LEU 9 -2.573 -0.846 -5.309 528 1HB LEU 9 2HB LEU 9 0.122 -2.152 -5.236 529 2HB LEU 9 1HB LEU 9 -1.044 -1.946 -3.988 530 HG LEU 9 HG LEU 9 -1.658 -3.730 -6.311 531 1HD1 LEU 9 1HD1 LEU 9 0.272 -4.115 -4.169 532 2HD1 LEU 9 3HD1 LEU 9 -1.026 -5.307 -4.065 533 3HD1 LEU 9 2HD1 LEU 9 -0.063 -5.174 -5.543 534 1HD2 LEU 9 2HD2 LEU 9 -3.531 -2.891 -4.892 535 2HD2 LEU 9 1HD2 LEU 9 -3.296 -4.640 -4.699 536 3HD2 LEU 9 3HD2 LEU 9 -2.702 -3.531 -3.464 537 H SER 10 H SER 10 -0.136 -0.298 -7.724 538 HA SER 10 HA SER 10 1.438 1.661 -6.307 539 1HB SER 10 2HB SER 10 2.556 1.155 -8.234 540 2HB SER 10 1HB SER 10 1.135 0.475 -8.966 541 HG SER 10 HG SER 10 1.759 3.250 -8.838 542 H VAL 11 H VAL 11 -1.279 1.868 -8.658 543 HA VAL 11 HA VAL 11 -1.722 4.743 -8.193 544 HB VAL 11 HB VAL 11 -3.396 2.707 -9.714 545 1HG1 VAL 11 2HG1 VAL 11 -3.195 5.705 -9.667 546 2HG1 VAL 11 1HG1 VAL 11 -3.694 4.888 -11.149 547 3HG1 VAL 11 3HG1 VAL 11 -4.632 4.683 -9.668 548 1HG2 VAL 11 3HG2 VAL 11 -0.954 4.276 -10.615 549 2HG2 VAL 11 2HG2 VAL 11 -1.098 2.519 -10.508 550 3HG2 VAL 11 1HG2 VAL 11 -2.037 3.415 -11.710 551 H ALA 12 H ALA 12 -3.806 1.832 -7.827 552 HA ALA 12 HA ALA 12 -5.884 3.022 -6.296 553 1HB ALA 12 3HB ALA 12 -5.611 0.674 -7.497 554 2HB ALA 12 1HB ALA 12 -6.680 0.843 -6.103 555 3HB ALA 12 2HB ALA 12 -5.061 0.153 -5.897 556 H GLY 13 H GLY 13 -3.074 1.187 -5.185 557 1HA GLY 13 1HA GLY 13 -1.995 1.080 -3.133 558 2HA GLY 13 2HA GLY 13 -3.584 1.316 -2.413 559 H ARG 14 H ARG 14 -1.239 3.307 -4.239 560 HA ARG 14 HA ARG 14 -0.606 4.993 -2.094 561 1HB ARG 14 2HB ARG 14 0.126 4.777 -4.721 562 2HB ARG 14 1HB ARG 14 -0.625 6.363 -4.704 563 1HG ARG 14 2HG ARG 14 1.659 5.378 -2.972 564 2HG ARG 14 1HG ARG 14 1.739 6.618 -4.213 565 1HD ARG 14 2HD ARG 14 0.763 8.224 -2.859 566 2HD ARG 14 1HD ARG 14 -0.144 7.023 -1.929 567 HE ARG 14 HE ARG 14 1.707 6.807 -0.500 568 1HH1 ARG 14 1HH1 ARG 14 2.582 9.406 -2.239 569 2HH1 ARG 14 2HH1 ARG 14 4.274 9.057 -2.350 570 1HH2 ARG 14 1HH2 ARG 14 3.955 5.791 -1.183 571 2HH2 ARG 14 2HH2 ARG 14 5.055 7.002 -1.752 572 H GLU 15 H GLU 15 -3.278 5.498 -4.493 573 HA GLU 15 HA GLU 15 -4.071 8.107 -3.523 574 1HB GLU 15 2HB GLU 15 -5.504 5.858 -4.956 575 2HB GLU 15 1HB GLU 15 -6.277 7.409 -4.636 576 1HG GLU 15 2HG GLU 15 -4.463 8.557 -5.875 577 2HG GLU 15 1HG GLU 15 -3.709 6.999 -6.208 578 H ILE 16 H ILE 16 -5.184 4.826 -2.685 579 HA ILE 16 HA ILE 16 -7.195 5.413 -0.734 580 HB ILE 16 HB ILE 16 -5.232 3.120 -1.144 581 1HG1 ILE 16 2HG1 ILE 16 -8.204 3.225 -1.786 582 2HG1 ILE 16 1HG1 ILE 16 -6.974 3.687 -2.955 583 1HG2 ILE 16 2HG2 ILE 16 -7.445 3.462 0.842 584 2HG2 ILE 16 1HG2 ILE 16 -7.256 1.866 0.099 585 3HG2 ILE 16 3HG2 ILE 16 -5.918 2.598 0.997 586 1HD1 ILE 16 1HD1 ILE 16 -5.911 1.405 -2.532 587 2HD1 ILE 16 3HD1 ILE 16 -7.382 0.986 -1.661 588 3HD1 ILE 16 2HD1 ILE 16 -7.456 1.383 -3.379 589 H VAL 17 H VAL 17 -3.698 5.082 -0.529 590 HA VAL 17 HA VAL 17 -3.614 5.181 2.394 591 HB VAL 17 HB VAL 17 -2.289 3.872 0.547 592 1HG1 VAL 17 1HG1 VAL 17 -1.380 6.301 -0.155 593 2HG1 VAL 17 3HG1 VAL 17 -0.101 5.764 0.924 594 3HG1 VAL 17 2HG1 VAL 17 -0.551 4.788 -0.478 595 1HG2 VAL 17 2HG2 VAL 17 -1.044 4.975 3.019 596 2HG2 VAL 17 1HG2 VAL 17 -1.993 3.480 2.860 597 3HG2 VAL 17 3HG2 VAL 17 -0.405 3.618 2.094 598 H THR 18 H THR 18 -3.647 7.651 -0.063 599 HA THR 18 HA THR 18 -2.323 9.540 1.860 600 HB THR 18 HB THR 18 -1.562 10.799 -0.117 601 HG1 THR 18 HG1 THR 18 -2.504 8.617 -1.662 602 1HG2 THR 18 3HG2 THR 18 -0.285 8.864 0.956 603 2HG2 THR 18 2HG2 THR 18 -0.797 7.912 -0.431 604 3HG2 THR 18 1HG2 THR 18 0.210 9.336 -0.669 605 H LEU 19 H LEU 19 -5.455 8.932 0.585 606 HA LEU 19 HA LEU 19 -6.155 11.629 -0.155 607 1HB LEU 19 2HB LEU 19 -8.509 10.916 0.347 608 2HB LEU 19 1HB LEU 19 -7.630 9.867 -0.747 609 HG LEU 19 HG LEU 19 -7.340 9.054 2.051 610 1HD1 LEU 19 3HD1 LEU 19 -10.058 9.203 0.737 611 2HD1 LEU 19 2HD1 LEU 19 -9.707 8.258 2.186 612 3HD1 LEU 19 1HD1 LEU 19 -9.554 10.019 2.217 613 1HD2 LEU 19 2HD2 LEU 19 -8.143 7.819 -0.594 614 2HD2 LEU 19 1HD2 LEU 19 -6.730 7.461 0.395 615 3HD2 LEU 19 3HD2 LEU 19 -8.325 6.917 0.910 616 HA PRO 20 HA PRO 20 -5.817 13.913 3.503 617 1HB PRO 20 2HB PRO 20 -7.520 15.978 2.978 618 2HB PRO 20 1HB PRO 20 -5.959 15.752 2.169 619 1HG PRO 20 2HG PRO 20 -8.698 15.140 1.201 620 2HG PRO 20 1HG PRO 20 -7.300 15.763 0.316 621 1HD PRO 20 1HD PRO 20 -8.147 13.148 0.241 622 2HD PRO 20 2HD PRO 20 -6.483 13.680 -0.105 623 H ASN 21 H ASN 21 -9.274 13.212 2.761 624 HA ASN 21 HA ASN 21 -10.062 14.006 5.509 625 1HB ASN 21 2HB ASN 21 -11.584 12.833 3.183 626 2HB ASN 21 1HB ASN 21 -12.324 13.353 4.680 627 1HD2 ASN 21 1HD2 ASN 21 -13.287 14.590 2.481 628 2HD2 ASN 21 2HD2 ASN 21 -12.693 16.177 2.345 629 H LEU 22 H LEU 22 -8.519 11.276 4.570 630 HA LEU 22 HA LEU 22 -10.306 9.317 5.896 631 1HB LEU 22 2HB LEU 22 -8.966 9.055 3.731 632 2HB LEU 22 1HB LEU 22 -7.571 8.881 4.770 633 HG LEU 22 HG LEU 22 -8.795 7.012 5.941 634 1HD1 LEU 22 3HD1 LEU 22 -11.044 7.848 4.833 635 2HD1 LEU 22 2HD1 LEU 22 -10.522 6.836 3.487 636 3HD1 LEU 22 1HD1 LEU 22 -10.770 6.125 5.081 637 1HD2 LEU 22 2HD2 LEU 22 -7.168 7.014 3.765 638 2HD2 LEU 22 1HD2 LEU 22 -7.773 5.547 4.537 639 3HD2 LEU 22 3HD2 LEU 22 -8.578 6.185 3.105 640 H ASN 23 H ASN 23 -9.494 7.931 7.523 641 HA ASN 23 HA ASN 23 -7.435 9.170 9.326 642 1HB ASN 23 2HB ASN 23 -8.656 8.121 11.174 643 2HB ASN 23 1HB ASN 23 -9.755 9.091 10.206 644 1HD2 ASN 23 1HD2 ASN 23 -11.239 7.436 11.556 645 2HD2 ASN 23 2HD2 ASN 23 -11.651 6.014 10.728 646 H ASP 24 H ASP 24 -6.064 7.590 10.549 647 HA ASP 24 HA ASP 24 -4.676 5.848 8.886 648 1HB ASP 24 2HB ASP 24 -3.258 5.782 10.625 649 2HB ASP 24 1HB ASP 24 -4.370 6.899 11.392 650 HA PRO 25 HA PRO 25 -6.923 1.980 10.695 651 1HB PRO 25 2HB PRO 25 -9.573 2.267 11.351 652 2HB PRO 25 1HB PRO 25 -8.247 2.407 12.524 653 1HG PRO 25 2HG PRO 25 -9.778 4.550 11.135 654 2HG PRO 25 1HG PRO 25 -9.232 4.463 12.817 655 1HD PRO 25 1HD PRO 25 -7.958 5.934 10.952 656 2HD PRO 25 2HD PRO 25 -7.115 5.175 12.309 657 H GLN 26 H GLN 26 -9.003 4.319 8.834 658 HA GLN 26 HA GLN 26 -10.299 2.249 7.284 659 1HB GLN 26 2HB GLN 26 -9.905 5.229 6.965 660 2HB GLN 26 1HB GLN 26 -10.857 4.272 5.830 661 1HG GLN 26 2HG GLN 26 -12.372 3.559 7.551 662 2HG GLN 26 1HG GLN 26 -11.337 4.208 8.818 663 1HE2 GLN 26 1HE2 GLN 26 -13.779 5.160 9.091 664 2HE2 GLN 26 2HE2 GLN 26 -13.972 6.718 8.451 665 H LYS 27 H LYS 27 -7.529 4.452 6.437 666 HA LYS 27 HA LYS 27 -6.980 3.337 3.871 667 1HB LYS 27 2HB LYS 27 -4.543 3.987 4.439 668 2HB LYS 27 1HB LYS 27 -5.747 5.260 4.359 669 1HG LYS 27 2HG LYS 27 -5.914 4.883 6.959 670 2HG LYS 27 1HG LYS 27 -4.348 4.113 6.754 671 1HD LYS 27 2HD LYS 27 -3.862 6.394 7.210 672 2HD LYS 27 1HD LYS 27 -3.647 6.208 5.475 673 1HE LYS 27 2HE LYS 27 -5.387 7.593 4.969 674 2HE LYS 27 1HE LYS 27 -6.395 6.965 6.279 675 1HZ LYS 27 3HZ LYS 27 -4.920 8.147 7.861 676 2HZ LYS 27 2HZ LYS 27 -4.104 8.844 6.543 677 3HZ LYS 27 1HZ LYS 27 -5.741 9.199 6.816 678 H LYS 28 H LYS 28 -5.956 2.297 7.091 679 HA LYS 28 HA LYS 28 -4.234 0.139 6.368 680 1HB LYS 28 2HB LYS 28 -5.821 1.098 8.688 681 2HB LYS 28 1HB LYS 28 -5.677 -0.653 8.663 682 1HG LYS 28 2HG LYS 28 -3.248 0.943 8.155 683 2HG LYS 28 1HG LYS 28 -3.831 0.885 9.802 684 1HD LYS 28 2HD LYS 28 -3.553 -1.433 9.948 685 2HD LYS 28 1HD LYS 28 -3.556 -1.639 8.195 686 1HE LYS 28 2HE LYS 28 -1.330 -0.987 7.966 687 2HE LYS 28 1HE LYS 28 -1.364 0.002 9.435 688 1HZ LYS 28 1HZ LYS 28 -1.723 -2.943 9.525 689 2HZ LYS 28 3HZ LYS 28 -0.188 -2.227 9.606 690 3HZ LYS 28 2HZ LYS 28 -1.345 -1.888 10.802 691 H ALA 29 H ALA 29 -7.762 0.272 7.018 692 HA ALA 29 HA ALA 29 -8.436 -2.461 6.689 693 1HB ALA 29 2HB ALA 29 -10.699 -1.627 6.572 694 2HB ALA 29 1HB ALA 29 -9.802 -0.579 7.671 695 3HB ALA 29 3HB ALA 29 -10.142 -0.046 6.025 696 H PHE 30 H PHE 30 -8.650 0.172 4.147 697 HA PHE 30 HA PHE 30 -9.326 -1.914 2.206 698 1HB PHE 30 2HB PHE 30 -8.533 0.406 0.764 699 2HB PHE 30 1HB PHE 30 -10.124 -0.291 0.929 700 HD1 PHE 30 HD1 PHE 30 -7.759 2.157 2.294 701 HD2 PHE 30 HD2 PHE 30 -11.814 0.781 2.274 702 HE1 PHE 30 HE1 PHE 30 -8.502 4.281 3.321 703 HE2 PHE 30 HE2 PHE 30 -12.537 2.873 3.318 704 HZ PHE 30 HZ PHE 30 -10.890 4.641 3.841 705 H ILE 31 H ILE 31 -6.268 -0.193 3.053 706 HA ILE 31 HA ILE 31 -4.848 -1.045 0.717 707 HB ILE 31 HB ILE 31 -3.957 -0.395 3.534 708 1HG1 ILE 31 2HG1 ILE 31 -4.182 1.030 0.933 709 2HG1 ILE 31 1HG1 ILE 31 -4.129 1.692 2.577 710 1HG2 ILE 31 2HG2 ILE 31 -2.484 -2.224 2.382 711 2HG2 ILE 31 1HG2 ILE 31 -2.005 -0.932 1.264 712 3HG2 ILE 31 3HG2 ILE 31 -1.672 -0.792 2.990 713 1HD1 ILE 31 1HD1 ILE 31 -1.739 0.634 1.087 714 2HD1 ILE 31 3HD1 ILE 31 -2.203 2.329 1.136 715 3HD1 ILE 31 2HD1 ILE 31 -1.748 1.511 2.632 716 H PHE 32 H PHE 32 -5.177 -2.674 3.919 717 HA PHE 32 HA PHE 32 -3.617 -4.980 3.248 718 1HB PHE 32 2HB PHE 32 -5.673 -4.282 5.328 719 2HB PHE 32 1HB PHE 32 -5.167 -5.958 5.181 720 HD1 PHE 32 HD1 PHE 32 -3.313 -2.592 4.937 721 HD2 PHE 32 HD2 PHE 32 -3.496 -6.552 6.822 722 HE1 PHE 32 HE1 PHE 32 -1.250 -2.182 6.156 723 HE2 PHE 32 HE2 PHE 32 -1.421 -6.009 7.990 724 HZ PHE 32 HZ PHE 32 -0.300 -3.881 7.633 725 H SER 33 H SER 33 -7.131 -4.328 2.796 726 HA SER 33 HA SER 33 -7.668 -6.986 1.663 727 1HB SER 33 2HB SER 33 -9.863 -5.963 1.117 728 2HB SER 33 1HB SER 33 -9.406 -5.643 2.782 729 HG SER 33 HG SER 33 -10.172 -3.781 1.689 730 H LEU 34 H LEU 34 -6.714 -3.811 0.398 731 HA LEU 34 HA LEU 34 -7.113 -4.219 -2.433 732 1HB LEU 34 2HB LEU 34 -6.695 -2.014 -1.534 733 2HB LEU 34 1HB LEU 34 -5.247 -2.531 -0.714 734 HG LEU 34 HG LEU 34 -4.353 -2.982 -3.089 735 1HD1 LEU 34 2HD1 LEU 34 -6.880 -2.395 -3.899 736 2HD1 LEU 34 1HD1 LEU 34 -6.128 -0.802 -4.044 737 3HD1 LEU 34 3HD1 LEU 34 -5.459 -2.182 -4.923 738 1HD2 LEU 34 3HD2 LEU 34 -3.791 -1.052 -1.455 739 2HD2 LEU 34 2HD2 LEU 34 -3.432 -0.795 -3.167 740 3HD2 LEU 34 1HD2 LEU 34 -4.876 -0.084 -2.454 741 H TRP 35 H TRP 35 -4.439 -4.896 -0.195 742 HA TRP 35 HA TRP 35 -2.523 -5.876 -2.096 743 1HB TRP 35 2HB TRP 35 -2.063 -5.107 0.210 744 2HB TRP 35 1HB TRP 35 -2.915 -6.521 0.847 745 HD1 TRP 35 HD1 TRP 35 -1.611 -8.687 0.998 746 HE1 TRP 35 HE1 TRP 35 0.667 -9.495 0.169 747 HE3 TRP 35 HE3 TRP 35 -0.310 -4.748 -1.900 748 HZ2 TRP 35 HZ2 TRP 35 2.804 -8.567 -1.481 749 HZ3 TRP 35 HZ3 TRP 35 1.838 -4.740 -3.113 750 HH2 TRP 35 HH2 TRP 35 3.385 -6.620 -2.901 751 H ASP 36 H ASP 36 -4.845 -7.605 0.049 752 HA ASP 36 HA ASP 36 -4.130 -10.254 -0.859 753 1HB ASP 36 2HB ASP 36 -5.173 -9.487 1.358 754 2HB ASP 36 1HB ASP 36 -6.698 -9.369 0.484 755 H ASP 37 H ASP 37 -6.764 -7.976 -1.693 756 HA ASP 37 HA ASP 37 -7.391 -9.722 -4.013 757 1HB ASP 37 2HB ASP 37 -9.415 -8.147 -2.388 758 2HB ASP 37 1HB ASP 37 -9.752 -9.353 -3.624 759 HA PRO 38 HA PRO 38 -6.542 -5.323 -5.331 760 1HB PRO 38 2HB PRO 38 -4.851 -5.917 -7.360 761 2HB PRO 38 1HB PRO 38 -4.323 -5.635 -5.694 762 1HG PRO 38 2HG PRO 38 -4.774 -8.230 -7.108 763 2HG PRO 38 1HG PRO 38 -3.455 -7.760 -6.027 764 1HD PRO 38 1HD PRO 38 -5.518 -9.283 -5.189 765 2HD PRO 38 2HD PRO 38 -4.703 -8.110 -4.124 766 H SER 39 H SER 39 -7.890 -8.209 -6.674 767 HA SER 39 HA SER 39 -8.591 -7.343 -9.345 768 1HB SER 39 2HB SER 39 -8.939 -9.596 -7.845 769 2HB SER 39 1HB SER 39 -10.542 -8.894 -7.691 770 HG SER 39 HG SER 39 -9.186 -9.815 -9.968 771 H GLN 40 H GLN 40 -9.896 -6.829 -6.108 772 HA GLN 40 HA GLN 40 -12.183 -5.137 -6.905 773 1HB GLN 40 2HB GLN 40 -11.020 -6.449 -4.506 774 2HB GLN 40 1HB GLN 40 -11.788 -4.898 -4.188 775 1HG GLN 40 2HG GLN 40 -13.497 -6.473 -3.914 776 2HG GLN 40 1HG GLN 40 -13.781 -5.792 -5.514 777 1HE2 GLN 40 1HE2 GLN 40 -12.032 -8.575 -3.980 778 2HE2 GLN 40 2HE2 GLN 40 -12.324 -9.646 -5.264 779 H SER 41 H SER 41 -8.908 -4.457 -6.950 780 HA SER 41 HA SER 41 -8.368 -2.344 -5.254 781 1HB SER 41 2HB SER 41 -6.745 -1.659 -6.910 782 2HB SER 41 1HB SER 41 -6.809 -3.402 -6.719 783 HG SER 41 HG SER 41 -7.566 -1.791 -8.870 784 H ALA 42 H ALA 42 -10.387 -2.156 -8.210 785 HA ALA 42 HA ALA 42 -10.566 0.745 -8.359 786 1HB ALA 42 2HB ALA 42 -12.572 -1.440 -9.089 787 2HB ALA 42 1HB ALA 42 -12.611 0.222 -9.679 788 3HB ALA 42 3HB ALA 42 -11.291 -0.849 -10.149 789 H ASN 43 H ASN 43 -12.388 -1.801 -6.627 790 HA ASN 43 HA ASN 43 -14.354 -0.239 -5.279 791 1HB ASN 43 2HB ASN 43 -14.018 -2.810 -5.525 792 2HB ASN 43 1HB ASN 43 -12.870 -2.648 -4.177 793 1HD2 ASN 43 1HD2 ASN 43 -13.719 -2.289 -2.076 794 2HD2 ASN 43 2HD2 ASN 43 -15.382 -2.279 -1.731 795 H LEU 44 H LEU 44 -11.037 -1.218 -4.459 796 HA LEU 44 HA LEU 44 -10.870 -0.195 -1.799 797 1HB LEU 44 2HB LEU 44 -8.990 -0.952 -4.023 798 2HB LEU 44 1HB LEU 44 -8.338 -0.221 -2.576 799 HG LEU 44 HG LEU 44 -8.205 -2.578 -2.352 800 1HD1 LEU 44 2HD1 LEU 44 -8.813 -1.227 -0.376 801 2HD1 LEU 44 1HD1 LEU 44 -10.514 -1.636 -0.671 802 3HD1 LEU 44 3HD1 LEU 44 -9.357 -2.908 -0.276 803 1HD2 LEU 44 3HD2 LEU 44 -11.111 -2.670 -3.073 804 2HD2 LEU 44 2HD2 LEU 44 -9.739 -3.420 -3.907 805 3HD2 LEU 44 1HD2 LEU 44 -10.258 -4.020 -2.326 806 H LEU 45 H LEU 45 -9.784 1.135 -4.845 807 HA LEU 45 HA LEU 45 -8.810 3.668 -4.014 808 1HB LEU 45 2HB LEU 45 -8.489 2.313 -6.171 809 2HB LEU 45 1HB LEU 45 -10.080 2.867 -6.660 810 HG LEU 45 HG LEU 45 -7.964 4.125 -7.497 811 1HD1 LEU 45 2HD1 LEU 45 -10.403 4.765 -7.704 812 2HD1 LEU 45 1HD1 LEU 45 -10.178 5.770 -6.271 813 3HD1 LEU 45 3HD1 LEU 45 -9.256 6.110 -7.736 814 1HD2 LEU 45 1HD2 LEU 45 -6.941 4.379 -5.263 815 2HD2 LEU 45 3HD2 LEU 45 -7.233 5.941 -6.030 816 3HD2 LEU 45 2HD2 LEU 45 -8.307 5.378 -4.753 817 H ALA 46 H ALA 46 -12.005 2.613 -5.209 818 HA ALA 46 HA ALA 46 -13.317 5.197 -5.151 819 1HB ALA 46 2HB ALA 46 -14.247 3.473 -6.492 820 2HB ALA 46 1HB ALA 46 -14.132 2.294 -5.185 821 3HB ALA 46 3HB ALA 46 -15.345 3.568 -5.116 822 H GLU 47 H GLU 47 -13.328 2.400 -2.912 823 HA GLU 47 HA GLU 47 -15.012 3.438 -0.885 824 1HB GLU 47 2HB GLU 47 -14.250 1.073 -1.162 825 2HB GLU 47 1HB GLU 47 -12.625 1.566 -0.673 826 1HG GLU 47 2HG GLU 47 -13.885 0.582 1.227 827 2HG GLU 47 1HG GLU 47 -13.485 2.270 1.525 828 H ALA 48 H ALA 48 -11.524 3.757 -1.425 829 HA ALA 48 HA ALA 48 -10.817 5.018 1.056 830 1HB ALA 48 3HB ALA 48 -8.954 4.323 -0.100 831 2HB ALA 48 1HB ALA 48 -8.993 5.964 -0.758 832 3HB ALA 48 2HB ALA 48 -9.692 4.605 -1.677 833 H LYS 49 H LYS 49 -11.484 6.446 -2.169 834 HA LYS 49 HA LYS 49 -11.438 9.199 -1.319 835 1HB LYS 49 2HB LYS 49 -12.722 7.782 -3.683 836 2HB LYS 49 1HB LYS 49 -12.532 9.532 -3.559 837 1HG LYS 49 2HG LYS 49 -10.070 9.227 -3.336 838 2HG LYS 49 1HG LYS 49 -10.284 7.490 -3.543 839 1HD LYS 49 2HD LYS 49 -11.443 8.039 -5.756 840 2HD LYS 49 1HD LYS 49 -10.826 9.678 -5.558 841 1HE LYS 49 2HE LYS 49 -8.992 7.265 -5.410 842 2HE LYS 49 1HE LYS 49 -9.357 8.071 -6.943 843 1HZ LYS 49 3HZ LYS 49 -8.708 10.202 -5.861 844 2HZ LYS 49 2HZ LYS 49 -8.179 9.315 -4.508 845 3HZ LYS 49 1HZ LYS 49 -7.426 9.101 -6.015 846 H LYS 50 H LYS 50 -14.213 6.949 -1.877 847 HA LYS 50 HA LYS 50 -16.276 8.845 -1.200 848 1HB LYS 50 2HB LYS 50 -16.110 5.823 -1.217 849 2HB LYS 50 1HB LYS 50 -17.606 6.679 -0.845 850 1HG LYS 50 2HG LYS 50 -17.396 7.894 -3.026 851 2HG LYS 50 1HG LYS 50 -15.991 6.900 -3.405 852 1HD LYS 50 2HD LYS 50 -17.364 4.866 -3.245 853 2HD LYS 50 1HD LYS 50 -18.773 5.837 -2.822 854 1HE LYS 50 2HE LYS 50 -19.136 5.675 -5.108 855 2HE LYS 50 1HE LYS 50 -18.075 7.094 -5.116 856 1HZ LYS 50 3HZ LYS 50 -16.162 5.576 -5.313 857 2HZ LYS 50 2HZ LYS 50 -17.229 4.255 -5.423 858 3HZ LYS 50 1HZ LYS 50 -17.217 5.446 -6.635 859 H LEU 51 H LEU 51 -14.473 6.500 0.825 860 HA LEU 51 HA LEU 51 -15.990 6.893 3.237 861 1HB LEU 51 2HB LEU 51 -14.444 4.999 2.695 862 2HB LEU 51 1HB LEU 51 -13.075 6.087 2.862 863 HG LEU 51 HG LEU 51 -13.393 6.292 5.200 864 1HD1 LEU 51 3HD1 LEU 51 -16.193 5.278 4.676 865 2HD1 LEU 51 2HD1 LEU 51 -15.491 5.251 6.293 866 3HD1 LEU 51 1HD1 LEU 51 -15.703 6.786 5.453 867 1HD2 LEU 51 1HD2 LEU 51 -13.912 3.518 4.152 868 2HD2 LEU 51 3HD2 LEU 51 -12.486 4.155 4.970 869 3HD2 LEU 51 2HD2 LEU 51 -13.940 3.798 5.897 870 H ASN 52 H ASN 52 -13.197 8.668 1.861 871 HA ASN 52 HA ASN 52 -12.553 10.273 4.135 872 1HB ASN 52 2HB ASN 52 -11.020 11.050 2.657 873 2HB ASN 52 1HB ASN 52 -11.656 9.864 1.547 874 1HD2 ASN 52 1HD2 ASN 52 -10.470 12.703 1.207 875 2HD2 ASN 52 2HD2 ASN 52 -11.587 13.504 0.220 876 H ASP 53 H ASP 53 -15.085 10.591 1.654 877 HA ASP 53 HA ASP 53 -15.919 13.273 2.252 878 1HB ASP 53 2HB ASP 53 -16.361 11.777 0.204 879 2HB ASP 53 1HB ASP 53 -17.631 11.023 1.169 880 H ALA 54 H ALA 54 -16.828 10.097 3.590 881 HA ALA 54 HA ALA 54 -19.203 10.885 5.003 882 1HB ALA 54 3HB ALA 54 -18.160 8.577 4.409 883 2HB ALA 54 2HB ALA 54 -17.243 8.774 5.903 884 3HB ALA 54 1HB ALA 54 -19.007 8.727 5.950 885 H GLN 55 H GLN 55 -15.759 11.053 5.856 886 HA GLN 55 HA GLN 55 -16.291 11.931 8.629 887 1HB GLN 55 2HB GLN 55 -13.868 11.419 6.893 888 2HB GLN 55 1HB GLN 55 -13.721 12.006 8.537 889 1HG GLN 55 2HG GLN 55 -14.784 10.043 9.433 890 2HG GLN 55 1HG GLN 55 -15.251 9.496 7.818 891 1HE2 GLN 55 1HE2 GLN 55 -13.015 9.708 6.313 892 2HE2 GLN 55 2HE2 GLN 55 -11.739 8.791 6.968 893 H ALA 56 H ALA 56 -15.043 13.291 5.559 894 HA ALA 56 HA ALA 56 -15.533 16.056 6.597 895 1HB ALA 56 3HB ALA 56 -13.260 15.969 6.964 896 2HB ALA 56 1HB ALA 56 -13.217 16.361 5.243 897 3HB ALA 56 2HB ALA 56 -13.026 14.689 5.770 898 HA PRO 57 HA PRO 57 -17.135 16.604 2.482 899 1HB PRO 57 2HB PRO 57 -16.911 19.316 2.211 900 2HB PRO 57 1HB PRO 57 -18.136 18.547 3.241 901 1HG PRO 57 2HG PRO 57 -15.564 19.827 3.990 902 2HG PRO 57 1HG PRO 57 -17.121 19.845 4.831 903 1HD PRO 57 1HD PRO 57 -14.999 18.262 5.550 904 2HD PRO 57 2HD PRO 57 -16.696 17.881 5.916 905 H LYS 58 H LYS 58 -16.353 16.824 0.336 906 HA LYS 58 HA LYS 58 -13.434 16.857 -0.012 907 1HB LYS 58 2HB LYS 58 -15.833 16.526 -1.833 908 2HB LYS 58 1HB LYS 58 -14.186 16.549 -2.459 909 1HG LYS 58 2HG LYS 58 -13.600 14.665 -0.955 910 2HG LYS 58 1HG LYS 58 -15.266 14.623 -0.378 911 1HD LYS 58 2HD LYS 58 -16.054 14.181 -2.680 912 2HD LYS 58 1HD LYS 58 -14.386 14.206 -3.254 913 1HE LYS 58 2HE LYS 58 -15.071 12.351 -0.992 914 2HE LYS 58 1HE LYS 58 -15.553 11.895 -2.635 915 1HZ LYS 58 3HZ LYS 58 -12.813 12.763 -1.847 916 2HZ LYS 58 2HZ LYS 58 -13.286 11.153 -2.098 917 3HZ LYS 58 1HZ LYS 58 -13.297 12.251 -3.392 No H/Q in entry = 917 Start of MODEL 28 1 H1 VAL 1 1H VAL 1 1.932 -23.325 11.956 2 H2 VAL 1 3H VAL 1 3.161 -24.373 12.481 3 H3 VAL 1 2H VAL 1 2.190 -23.570 13.616 4 HA VAL 1 HA VAL 1 4.259 -22.417 13.588 5 HB VAL 1 HB VAL 1 5.095 -21.522 11.364 6 1HG1 VAL 1 1HG1 VAL 1 5.826 -23.719 12.525 7 2HG1 VAL 1 3HG1 VAL 1 4.905 -24.527 11.256 8 3HG1 VAL 1 2HG1 VAL 1 6.265 -23.488 10.834 9 1HG2 VAL 1 1HG2 VAL 1 2.806 -21.839 10.234 10 2HG2 VAL 1 3HG2 VAL 1 4.221 -22.330 9.302 11 3HG2 VAL 1 2HG2 VAL 1 3.228 -23.546 10.105 12 H ASP 2 H ASP 2 4.565 -19.977 13.076 13 HA ASP 2 HA ASP 2 2.035 -18.592 13.593 14 1HB ASP 2 2HB ASP 2 3.471 -16.686 13.967 15 2HB ASP 2 1HB ASP 2 4.311 -18.092 14.611 16 H ASN 3 H ASN 3 1.455 -16.581 12.292 17 HA ASN 3 HA ASN 3 1.921 -17.015 9.351 18 1HB ASN 3 2HB ASN 3 -0.541 -16.211 10.933 19 2HB ASN 3 1HB ASN 3 -0.447 -16.058 9.180 20 1HD2 ASN 3 1HD2 ASN 3 0.471 -18.298 8.130 21 2HD2 ASN 3 2HD2 ASN 3 -0.284 -19.694 8.728 22 H LYS 4 H LYS 4 3.718 -15.363 10.670 23 HA LYS 4 HA LYS 4 2.976 -12.601 10.906 24 1HB LYS 4 2HB LYS 4 5.429 -12.208 10.793 25 2HB LYS 4 1HB LYS 4 5.035 -13.549 11.863 26 1HG LYS 4 2HG LYS 4 5.524 -15.109 9.915 27 2HG LYS 4 1HG LYS 4 6.127 -13.704 9.038 28 1HD LYS 4 2HD LYS 4 7.813 -13.301 10.749 29 2HD LYS 4 1HD LYS 4 7.173 -14.618 11.732 30 1HE LYS 4 2HE LYS 4 7.955 -15.261 8.911 31 2HE LYS 4 1HE LYS 4 9.252 -15.015 10.095 32 1HZ LYS 4 2HZ LYS 4 6.910 -16.825 10.453 33 2HZ LYS 4 1HZ LYS 4 8.492 -17.326 10.085 34 3HZ LYS 4 3HZ LYS 4 8.165 -16.589 11.578 35 H PHE 5 H PHE 5 4.331 -14.382 8.087 36 HA PHE 5 HA PHE 5 4.582 -12.154 6.349 37 1HB PHE 5 2HB PHE 5 4.176 -15.108 5.851 38 2HB PHE 5 1HB PHE 5 4.558 -13.961 4.573 39 HD1 PHE 5 HD1 PHE 5 6.271 -16.337 5.318 40 HD2 PHE 5 HD2 PHE 5 6.366 -12.262 6.698 41 HE1 PHE 5 HE1 PHE 5 8.682 -16.562 5.842 42 HE2 PHE 5 HE2 PHE 5 8.773 -12.496 7.213 43 HZ PHE 5 HZ PHE 5 9.932 -14.643 6.790 44 H ASN 6 H ASN 6 1.691 -13.960 7.262 45 HA ASN 6 HA ASN 6 0.011 -13.489 5.025 46 1HB ASN 6 2HB ASN 6 -0.365 -13.855 7.978 47 2HB ASN 6 1HB ASN 6 -1.755 -13.344 7.029 48 1HD2 ASN 6 1HD2 ASN 6 0.861 -15.860 6.886 49 2HD2 ASN 6 2HD2 ASN 6 -0.148 -17.059 6.241 50 H LYS 7 H LYS 7 0.348 -11.396 7.969 51 HA LYS 7 HA LYS 7 -0.935 -9.153 6.487 52 1HB LYS 7 2HB LYS 7 -1.664 -9.759 8.763 53 2HB LYS 7 1HB LYS 7 -0.041 -9.390 9.370 54 1HG LYS 7 2HG LYS 7 -0.517 -7.068 8.182 55 2HG LYS 7 1HG LYS 7 -2.199 -7.556 8.374 56 1HD LYS 7 2HD LYS 7 -0.253 -7.704 10.661 57 2HD LYS 7 1HD LYS 7 -1.103 -6.203 10.287 58 1HE LYS 7 2HE LYS 7 -3.046 -6.973 11.195 59 2HE LYS 7 1HE LYS 7 -2.906 -8.530 10.359 60 1HZ LYS 7 3HZ LYS 7 -1.351 -7.726 12.770 61 2HZ LYS 7 2HZ LYS 7 -2.674 -8.790 12.769 62 3HZ LYS 7 1HZ LYS 7 -1.239 -9.220 11.967 63 H GLU 8 H GLU 8 2.309 -10.168 7.407 64 HA GLU 8 HA GLU 8 3.617 -7.641 7.623 65 1HB GLU 8 2HB GLU 8 4.413 -10.431 6.868 66 2HB GLU 8 1HB GLU 8 5.562 -9.130 6.572 67 1HG GLU 8 2HG GLU 8 4.242 -9.732 9.239 68 2HG GLU 8 1HG GLU 8 5.907 -10.144 8.791 69 H GLN 9 H GLN 9 2.660 -9.553 4.802 70 HA GLN 9 HA GLN 9 4.014 -8.031 2.837 71 1HB GLN 9 2HB GLN 9 1.471 -9.664 2.747 72 2HB GLN 9 1HB GLN 9 2.281 -9.017 1.326 73 1HG GLN 9 2HG GLN 9 4.296 -10.300 1.836 74 2HG GLN 9 1HG GLN 9 3.538 -10.935 3.297 75 1HE2 GLN 9 1HE2 GLN 9 3.191 -10.889 -0.285 76 2HE2 GLN 9 2HE2 GLN 9 2.312 -12.341 -0.366 77 H GLN 10 H GLN 10 0.770 -7.688 4.321 78 HA GLN 10 HA GLN 10 0.159 -5.256 2.767 79 1HB GLN 10 2HB GLN 10 -1.578 -5.193 4.841 80 2HB GLN 10 1HB GLN 10 -1.913 -5.852 3.285 81 1HG GLN 10 2HG GLN 10 -0.707 -7.592 5.406 82 2HG GLN 10 1HG GLN 10 -2.427 -7.254 5.414 83 1HE2 GLN 10 1HE2 GLN 10 -3.702 -7.959 3.505 84 2HE2 GLN 10 2HE2 GLN 10 -3.105 -9.195 2.508 85 H ASN 11 H ASN 11 1.423 -6.000 6.001 86 HA ASN 11 HA ASN 11 1.331 -3.326 7.049 87 1HB ASN 11 2HB ASN 11 3.196 -5.700 7.429 88 2HB ASN 11 1HB ASN 11 3.444 -4.202 8.309 89 1HD2 ASN 11 1HD2 ASN 11 2.794 -6.837 9.460 90 2HD2 ASN 11 2HD2 ASN 11 1.333 -6.638 10.293 91 H ALA 12 H ALA 12 3.734 -5.141 5.146 92 HA ALA 12 HA ALA 12 5.638 -2.993 4.788 93 1HB ALA 12 3HB ALA 12 5.082 -5.718 3.607 94 2HB ALA 12 1HB ALA 12 6.485 -5.181 4.547 95 3HB ALA 12 2HB ALA 12 6.296 -4.658 2.868 96 H PHE 13 H PHE 13 3.044 -4.404 2.752 97 HA PHE 13 HA PHE 13 3.345 -2.827 0.399 98 1HB PHE 13 2HB PHE 13 1.827 -4.755 0.486 99 2HB PHE 13 1HB PHE 13 0.934 -4.041 1.818 100 HD1 PHE 13 HD1 PHE 13 2.103 -2.579 -1.424 101 HD2 PHE 13 HD2 PHE 13 -1.227 -3.580 1.089 102 HE1 PHE 13 HE1 PHE 13 0.557 -1.595 -3.067 103 HE2 PHE 13 HE2 PHE 13 -2.762 -2.585 -0.557 104 HZ PHE 13 HZ PHE 13 -1.875 -1.603 -2.619 105 H TYR 14 H TYR 14 1.139 -2.315 3.142 106 HA TYR 14 HA TYR 14 0.141 0.241 2.565 107 1HB TYR 14 2HB TYR 14 -0.580 -1.362 4.294 108 2HB TYR 14 1HB TYR 14 0.866 -0.987 5.228 109 HD1 TYR 14 HD1 TYR 14 1.037 1.031 6.499 110 HD2 TYR 14 HD2 TYR 14 -2.300 0.412 3.877 111 HE1 TYR 14 HE1 TYR 14 -0.139 2.939 7.530 112 HE2 TYR 14 HE2 TYR 14 -3.461 2.238 4.894 113 HH TYR 14 HH TYR 14 -1.989 4.561 6.853 114 H GLU 15 H GLU 15 2.928 -0.535 4.771 115 HA GLU 15 HA GLU 15 3.724 2.165 5.212 116 1HB GLU 15 2HB GLU 15 5.223 -0.463 5.247 117 2HB GLU 15 1HB GLU 15 5.964 1.058 5.740 118 1HG GLU 15 2HG GLU 15 3.470 -0.170 6.964 119 2HG GLU 15 1HG GLU 15 5.069 -0.146 7.700 120 H ILE 16 H ILE 16 4.730 -0.123 2.603 121 HA ILE 16 HA ILE 16 6.675 1.563 1.336 122 HB ILE 16 HB ILE 16 4.844 -0.693 0.565 123 1HG1 ILE 16 2HG1 ILE 16 7.734 -0.518 -0.144 124 2HG1 ILE 16 1HG1 ILE 16 7.342 -0.548 1.571 125 1HG2 ILE 16 2HG2 ILE 16 6.202 1.098 -1.435 126 2HG2 ILE 16 1HG2 ILE 16 5.902 -0.606 -1.779 127 3HG2 ILE 16 3HG2 ILE 16 4.548 0.476 -1.452 128 1HD1 ILE 16 1HD1 ILE 16 5.830 -2.510 0.008 129 2HD1 ILE 16 3HD1 ILE 16 7.589 -2.761 -0.040 130 3HD1 ILE 16 2HD1 ILE 16 6.749 -2.710 1.509 131 H LEU 17 H LEU 17 3.137 1.328 0.828 132 HA LEU 17 HA LEU 17 2.906 3.536 -1.050 133 1HB LEU 17 2HB LEU 17 0.907 2.345 0.908 134 2HB LEU 17 1HB LEU 17 0.497 3.421 -0.418 135 HG LEU 17 HG LEU 17 2.056 1.119 -1.328 136 1HD1 LEU 17 2HD1 LEU 17 0.027 0.609 0.623 137 2HD1 LEU 17 1HD1 LEU 17 -0.573 0.095 -0.966 138 3HD1 LEU 17 3HD1 LEU 17 0.945 -0.546 -0.340 139 1HD2 LEU 17 2HD2 LEU 17 0.425 2.830 -2.539 140 2HD2 LEU 17 1HD2 LEU 17 0.562 1.139 -3.067 141 3HD2 LEU 17 3HD2 LEU 17 -0.798 1.611 -2.024 142 H HIS 18 H HIS 18 2.615 3.362 2.528 143 HA HIS 18 HA HIS 18 1.865 6.189 2.795 144 1HB HIS 18 2HB HIS 18 2.407 3.897 4.690 145 2HB HIS 18 1HB HIS 18 2.047 5.519 5.277 146 HD1 HIS 18 HD1 HIS 18 -0.387 6.386 4.991 147 HD2 HIS 18 HD2 HIS 18 0.159 2.564 3.462 148 HE1 HIS 18 HE1 HIS 18 -2.670 5.381 4.449 149 H LEU 19 H LEU 19 4.967 4.726 2.455 150 HA LEU 19 HA LEU 19 6.466 6.227 4.402 151 1HB LEU 19 2HB LEU 19 7.036 4.737 1.865 152 2HB LEU 19 1HB LEU 19 8.295 5.801 2.484 153 HG LEU 19 HG LEU 19 6.932 3.661 4.150 154 1HD1 LEU 19 1HD1 LEU 19 9.490 3.609 2.544 155 2HD1 LEU 19 3HD1 LEU 19 9.204 2.506 3.891 156 3HD1 LEU 19 2HD1 LEU 19 8.145 2.472 2.480 157 1HD2 LEU 19 1HD2 LEU 19 8.490 5.870 4.894 158 2HD2 LEU 19 3HD2 LEU 19 8.117 4.466 5.890 159 3HD2 LEU 19 2HD2 LEU 19 9.602 4.503 4.942 160 HA PRO 20 HA PRO 20 5.811 10.270 2.640 161 1HB PRO 20 2HB PRO 20 7.677 11.609 4.148 162 2HB PRO 20 1HB PRO 20 6.073 11.138 4.742 163 1HG PRO 20 2HG PRO 20 8.701 9.763 5.109 164 2HG PRO 20 1HG PRO 20 7.424 10.085 6.296 165 1HD PRO 20 1HD PRO 20 7.692 7.673 5.176 166 2HD PRO 20 2HD PRO 20 6.087 8.352 5.530 167 H ASN 21 H ASN 21 8.974 8.636 2.516 168 HA ASN 21 HA ASN 21 9.827 10.631 0.444 169 1HB ASN 21 2HB ASN 21 11.361 8.848 2.344 170 2HB ASN 21 1HB ASN 21 12.135 9.744 1.040 171 1HD2 ASN 21 1HD2 ASN 21 11.460 9.977 4.306 172 2HD2 ASN 21 2HD2 ASN 21 11.421 11.665 4.454 173 H LEU 22 H LEU 22 8.243 7.795 0.423 174 HA LEU 22 HA LEU 22 9.924 6.415 -1.600 175 1HB LEU 22 2HB LEU 22 7.515 5.766 0.069 176 2HB LEU 22 1HB LEU 22 7.675 4.931 -1.466 177 HG LEU 22 HG LEU 22 9.212 4.586 1.040 178 1HD1 LEU 22 3HD1 LEU 22 8.556 2.913 -1.391 179 2HD1 LEU 22 2HD1 LEU 22 9.516 2.305 -0.034 180 3HD1 LEU 22 1HD1 LEU 22 7.838 2.796 0.218 181 1HD2 LEU 22 3HD2 LEU 22 10.599 4.493 -1.655 182 2HD2 LEU 22 2HD2 LEU 22 11.011 5.550 -0.286 183 3HD2 LEU 22 1HD2 LEU 22 11.247 3.802 -0.162 184 H ASN 23 H ASN 23 9.598 6.749 -3.714 185 HA ASN 23 HA ASN 23 7.213 8.337 -4.563 186 1HB ASN 23 2HB ASN 23 8.523 8.807 -6.580 187 2HB ASN 23 1HB ASN 23 9.457 9.176 -5.157 188 1HD2 ASN 23 1HD2 ASN 23 10.749 8.711 -7.650 189 2HD2 ASN 23 2HD2 ASN 23 11.618 7.256 -7.558 190 H GLU 24 H GLU 24 6.867 7.644 -7.119 191 HA GLU 24 HA GLU 24 5.426 5.141 -6.967 192 1HB GLU 24 2HB GLU 24 6.331 6.921 -9.269 193 2HB GLU 24 1HB GLU 24 5.284 5.525 -9.503 194 1HG GLU 24 2HG GLU 24 4.119 6.941 -7.375 195 2HG GLU 24 1HG GLU 24 4.614 8.180 -8.523 196 H GLU 25 H GLU 25 8.685 5.952 -8.245 197 HA GLU 25 HA GLU 25 9.238 3.465 -9.565 198 1HB GLU 25 2HB GLU 25 10.543 5.572 -9.765 199 2HB GLU 25 1HB GLU 25 11.072 5.394 -8.095 200 1HG GLU 25 2HG GLU 25 12.081 3.167 -8.738 201 2HG GLU 25 1HG GLU 25 11.714 3.556 -10.419 202 H GLN 26 H GLN 26 10.063 4.543 -6.245 203 HA GLN 26 HA GLN 26 11.081 1.937 -5.409 204 1HB GLN 26 2HB GLN 26 10.286 4.418 -3.855 205 2HB GLN 26 1HB GLN 26 11.215 3.069 -3.204 206 1HG GLN 26 2HG GLN 26 12.131 4.589 -5.661 207 2HG GLN 26 1HG GLN 26 12.544 5.122 -4.039 208 1HE2 GLN 26 1HE2 GLN 26 14.805 4.627 -4.100 209 2HE2 GLN 26 2HE2 GLN 26 15.399 3.048 -4.279 210 H ARG 27 H ARG 27 8.110 3.764 -4.537 211 HA ARG 27 HA ARG 27 6.967 1.822 -2.807 212 1HB ARG 27 2HB ARG 27 6.285 4.235 -3.206 213 2HB ARG 27 1HB ARG 27 5.512 3.705 -4.695 214 1HG ARG 27 2HG ARG 27 4.699 2.075 -2.448 215 2HG ARG 27 1HG ARG 27 4.358 3.780 -2.184 216 1HD ARG 27 2HD ARG 27 3.680 2.641 -4.865 217 2HD ARG 27 1HD ARG 27 2.618 2.257 -3.501 218 HE ARG 27 HE ARG 27 2.195 4.595 -3.209 219 1HH1 ARG 27 1HH1 ARG 27 4.652 5.965 -3.869 220 2HH1 ARG 27 2HH1 ARG 27 4.369 6.607 -5.449 221 1HH2 ARG 27 1HH2 ARG 27 1.648 4.527 -6.090 222 2HH2 ARG 27 2HH2 ARG 27 2.657 5.780 -6.721 223 H ASN 28 H ASN 28 6.304 2.336 -6.334 224 HA ASN 28 HA ASN 28 4.375 0.195 -6.567 225 1HB ASN 28 2HB ASN 28 6.095 1.450 -8.707 226 2HB ASN 28 1HB ASN 28 4.595 0.600 -8.973 227 1HD2 ASN 28 1HD2 ASN 28 4.596 3.086 -10.035 228 2HD2 ASN 28 2HD2 ASN 28 3.726 4.183 -9.079 229 H ALA 29 H ALA 29 7.895 0.371 -7.279 230 HA ALA 29 HA ALA 29 8.220 -2.267 -8.374 231 1HB ALA 29 2HB ALA 29 9.844 -0.316 -8.279 232 2HB ALA 29 3HB ALA 29 10.532 -1.896 -7.896 233 3HB ALA 29 1HB ALA 29 10.143 -0.770 -6.595 234 H PHE 30 H PHE 30 8.208 -1.027 -5.047 235 HA PHE 30 HA PHE 30 9.002 -3.414 -3.696 236 1HB PHE 30 2HB PHE 30 7.463 -0.916 -3.045 237 2HB PHE 30 1HB PHE 30 7.549 -2.216 -1.856 238 HD1 PHE 30 HD1 PHE 30 8.764 0.555 -1.517 239 HD2 PHE 30 HD2 PHE 30 10.425 -3.107 -3.015 240 HE1 PHE 30 HE1 PHE 30 11.018 1.262 -0.805 241 HE2 PHE 30 HE2 PHE 30 12.649 -2.405 -2.295 242 HZ PHE 30 HZ PHE 30 12.953 -0.258 -1.181 243 H ILE 31 H ILE 31 5.830 -2.169 -4.612 244 HA ILE 31 HA ILE 31 4.295 -4.311 -3.469 245 HB ILE 31 HB ILE 31 3.851 -2.335 -5.721 246 1HG1 ILE 31 2HG1 ILE 31 2.654 -2.379 -2.976 247 2HG1 ILE 31 1HG1 ILE 31 4.249 -1.696 -3.228 248 1HG2 ILE 31 2HG2 ILE 31 2.254 -4.611 -4.893 249 2HG2 ILE 31 1HG2 ILE 31 1.412 -3.083 -4.659 250 3HG2 ILE 31 3HG2 ILE 31 2.021 -3.513 -6.253 251 1HD1 ILE 31 2HD1 ILE 31 1.797 -0.858 -4.789 252 2HD1 ILE 31 1HD1 ILE 31 2.374 -0.041 -3.317 253 3HD1 ILE 31 3HD1 ILE 31 3.399 -0.068 -4.755 254 H GLN 32 H GLN 32 6.203 -4.064 -6.483 255 HA GLN 32 HA GLN 32 5.055 -6.471 -7.706 256 1HB GLN 32 2HB GLN 32 7.607 -4.877 -8.153 257 2HB GLN 32 1HB GLN 32 7.114 -6.231 -9.172 258 1HG GLN 32 2HG GLN 32 4.998 -5.060 -9.701 259 2HG GLN 32 1HG GLN 32 5.502 -3.702 -8.697 260 1HE2 GLN 32 1HE2 GLN 32 5.244 -4.419 -11.863 261 2HE2 GLN 32 2HE2 GLN 32 6.599 -3.605 -12.482 262 H SER 33 H SER 33 8.116 -5.759 -5.927 263 HA SER 33 HA SER 33 9.058 -8.497 -5.759 264 1HB SER 33 2HB SER 33 10.538 -7.460 -3.992 265 2HB SER 33 1HB SER 33 10.577 -6.659 -5.560 266 HG SER 33 HG SER 33 10.210 -5.001 -4.257 267 H LEU 34 H LEU 34 6.954 -6.534 -3.761 268 HA LEU 34 HA LEU 34 6.878 -8.286 -1.438 269 1HB LEU 34 2HB LEU 34 6.643 -5.813 -1.488 270 2HB LEU 34 1HB LEU 34 5.154 -5.978 -2.403 271 HG LEU 34 HG LEU 34 4.271 -7.329 -0.418 272 1HD1 LEU 34 1HD1 LEU 34 6.784 -6.166 0.756 273 2HD1 LEU 34 3HD1 LEU 34 5.408 -6.682 1.733 274 3HD1 LEU 34 2HD1 LEU 34 6.270 -7.855 0.735 275 1HD2 LEU 34 1HD2 LEU 34 3.983 -4.782 -1.026 276 2HD2 LEU 34 3HD2 LEU 34 3.452 -5.375 0.542 277 3HD2 LEU 34 2HD2 LEU 34 4.990 -4.536 0.401 278 H LYS 35 H LYS 35 4.582 -7.623 -4.165 279 HA LYS 35 HA LYS 35 2.549 -9.473 -3.244 280 1HB LYS 35 2HB LYS 35 3.128 -7.906 -5.735 281 2HB LYS 35 1HB LYS 35 1.967 -9.194 -5.859 282 1HG LYS 35 2HG LYS 35 1.284 -7.906 -3.511 283 2HG LYS 35 1HG LYS 35 1.638 -6.615 -4.658 284 1HD LYS 35 2HD LYS 35 -0.155 -7.133 -5.964 285 2HD LYS 35 1HD LYS 35 0.020 -8.868 -5.697 286 1HE LYS 35 2HE LYS 35 -1.136 -8.806 -3.649 287 2HE LYS 35 1HE LYS 35 -0.864 -7.068 -3.443 288 1HZ LYS 35 1HZ LYS 35 -2.191 -6.791 -5.561 289 2HZ LYS 35 3HZ LYS 35 -2.649 -8.415 -5.383 290 3HZ LYS 35 2HZ LYS 35 -3.067 -7.279 -4.192 291 H ASP 36 H ASP 36 5.359 -9.849 -5.406 292 HA ASP 36 HA ASP 36 4.657 -12.596 -6.165 293 1HB ASP 36 2HB ASP 36 6.986 -10.722 -6.573 294 2HB ASP 36 1HB ASP 36 7.114 -12.419 -7.040 295 H ASP 37 H ASP 37 6.881 -11.085 -3.767 296 HA ASP 37 HA ASP 37 7.486 -13.838 -2.721 297 1HB ASP 37 2HB ASP 37 9.292 -12.246 -3.761 298 2HB ASP 37 1HB ASP 37 9.186 -11.403 -2.216 299 HA PRO 38 HA PRO 38 5.068 -12.100 0.728 300 1HB PRO 38 2HB PRO 38 4.689 -14.505 1.984 301 2HB PRO 38 1HB PRO 38 3.713 -13.965 0.604 302 1HG PRO 38 2HG PRO 38 6.041 -15.824 0.640 303 2HG PRO 38 1HG PRO 38 4.498 -15.965 -0.218 304 1HD PRO 38 1HD PRO 38 6.739 -15.146 -1.451 305 2HD PRO 38 2HD PRO 38 5.132 -14.517 -1.880 306 H SER 39 H SER 39 7.729 -14.498 1.105 307 HA SER 39 HA SER 39 8.315 -13.972 3.868 308 1HB SER 39 2HB SER 39 9.013 -15.934 2.430 309 2HB SER 39 1HB SER 39 10.212 -14.882 1.683 310 HG SER 39 HG SER 39 11.238 -15.867 3.360 311 H GLN 40 H GLN 40 9.511 -12.417 0.885 312 HA GLN 40 HA GLN 40 11.585 -10.838 2.192 313 1HB GLN 40 2HB GLN 40 10.481 -11.318 -0.469 314 2HB GLN 40 1HB GLN 40 10.848 -9.617 -0.226 315 1HG GLN 40 2HG GLN 40 12.808 -11.843 0.377 316 2HG GLN 40 1HG GLN 40 12.752 -10.976 -1.157 317 1HE2 GLN 40 1HE2 GLN 40 12.700 -8.374 -0.727 318 2HE2 GLN 40 2HE2 GLN 40 13.844 -7.840 0.403 319 H SER 41 H SER 41 8.166 -10.476 2.236 320 HA SER 41 HA SER 41 7.731 -7.762 1.755 321 1HB SER 41 2HB SER 41 5.742 -8.064 3.193 322 2HB SER 41 1HB SER 41 5.995 -9.476 2.177 323 HG SER 41 HG SER 41 6.399 -10.631 3.907 324 H ALA 42 H ALA 42 8.660 -9.097 5.028 325 HA ALA 42 HA ALA 42 8.613 -6.541 6.344 326 1HB ALA 42 3HB ALA 42 10.430 -8.921 6.739 327 2HB ALA 42 1HB ALA 42 8.841 -8.709 7.483 328 3HB ALA 42 2HB ALA 42 10.172 -7.625 7.907 329 H ASN 43 H ASN 43 11.304 -8.285 4.718 330 HA ASN 43 HA ASN 43 13.374 -6.339 5.024 331 1HB ASN 43 2HB ASN 43 12.745 -8.669 3.360 332 2HB ASN 43 1HB ASN 43 13.689 -7.446 2.498 333 1HD2 ASN 43 1HD2 ASN 43 13.755 -8.627 5.941 334 2HD2 ASN 43 2HD2 ASN 43 15.421 -8.952 5.938 335 H LEU 44 H LEU 44 10.777 -6.752 2.636 336 HA LEU 44 HA LEU 44 11.548 -4.655 0.839 337 1HB LEU 44 2HB LEU 44 9.033 -6.154 1.466 338 2HB LEU 44 1HB LEU 44 9.033 -4.844 0.277 339 HG LEU 44 HG LEU 44 10.990 -7.137 0.262 340 1HD1 LEU 44 1HD1 LEU 44 8.381 -7.443 -0.170 341 2HD1 LEU 44 3HD1 LEU 44 8.848 -6.862 -1.771 342 3HD1 LEU 44 2HD1 LEU 44 9.600 -8.317 -1.106 343 1HD2 LEU 44 2HD2 LEU 44 10.898 -4.556 -0.974 344 2HD2 LEU 44 3HD2 LEU 44 10.604 -5.796 -2.240 345 3HD2 LEU 44 1HD2 LEU 44 12.060 -5.870 -1.229 346 H LEU 45 H LEU 45 9.396 -4.729 3.675 347 HA LEU 45 HA LEU 45 8.758 -1.899 3.381 348 1HB LEU 45 2HB LEU 45 7.342 -3.242 4.720 349 2HB LEU 45 1HB LEU 45 8.680 -3.856 5.679 350 HG LEU 45 HG LEU 45 9.018 -1.724 6.724 351 1HD1 LEU 45 1HD1 LEU 45 7.114 -0.708 4.597 352 2HD1 LEU 45 3HD1 LEU 45 7.485 0.220 6.046 353 3HD1 LEU 45 2HD1 LEU 45 8.770 -0.179 4.909 354 1HD2 LEU 45 3HD2 LEU 45 7.081 -3.139 7.471 355 2HD2 LEU 45 2HD2 LEU 45 6.920 -1.426 7.866 356 3HD2 LEU 45 1HD2 LEU 45 6.026 -2.108 6.505 357 H ALA 46 H ALA 46 11.156 -3.765 5.330 358 HA ALA 46 HA ALA 46 12.501 -1.597 6.606 359 1HB ALA 46 3HB ALA 46 13.336 -4.274 5.433 360 2HB ALA 46 2HB ALA 46 14.538 -3.208 6.176 361 3HB ALA 46 1HB ALA 46 13.181 -3.819 7.138 362 H GLU 47 H GLU 47 13.112 -2.966 3.297 363 HA GLU 47 HA GLU 47 15.243 -1.087 2.759 364 1HB GLU 47 2HB GLU 47 15.043 -1.904 0.421 365 2HB GLU 47 1HB GLU 47 15.185 -3.208 1.590 366 1HG GLU 47 2HG GLU 47 12.669 -3.350 1.485 367 2HG GLU 47 1HG GLU 47 12.782 -2.301 0.069 368 H ALA 48 H ALA 48 11.686 -1.123 2.200 369 HA ALA 48 HA ALA 48 11.596 1.364 0.743 370 1HB ALA 48 2HB ALA 48 9.890 -0.544 1.215 371 2HB ALA 48 1HB ALA 48 9.582 0.315 2.729 372 3HB ALA 48 3HB ALA 48 9.272 1.108 1.177 373 H LYS 49 H LYS 49 11.622 0.519 4.212 374 HA LYS 49 HA LYS 49 11.218 3.133 5.373 375 1HB LYS 49 2HB LYS 49 12.526 0.532 6.224 376 2HB LYS 49 1HB LYS 49 12.371 1.869 7.335 377 1HG LYS 49 2HG LYS 49 10.130 0.372 5.973 378 2HG LYS 49 1HG LYS 49 10.556 0.288 7.673 379 1HD LYS 49 2HD LYS 49 10.145 2.819 7.706 380 2HD LYS 49 1HD LYS 49 9.360 2.577 6.141 381 1HE LYS 49 2HE LYS 49 7.521 1.663 7.097 382 2HE LYS 49 1HE LYS 49 8.507 0.602 8.127 383 1HZ LYS 49 1HZ LYS 49 8.102 3.518 8.602 384 2HZ LYS 49 3HZ LYS 49 7.239 2.295 9.398 385 3HZ LYS 49 2HZ LYS 49 8.920 2.426 9.619 386 H LYS 50 H LYS 50 13.946 1.149 4.448 387 HA LYS 50 HA LYS 50 16.164 2.769 5.224 388 1HB LYS 50 2HB LYS 50 16.521 0.485 4.762 389 2HB LYS 50 1HB LYS 50 15.492 0.529 3.352 390 1HG LYS 50 2HG LYS 50 17.407 2.075 2.375 391 2HG LYS 50 1HG LYS 50 18.380 1.238 3.590 392 1HD LYS 50 2HD LYS 50 16.585 -0.206 1.595 393 2HD LYS 50 1HD LYS 50 18.309 0.081 1.325 394 1HE LYS 50 2HE LYS 50 17.781 -1.093 3.975 395 2HE LYS 50 1HE LYS 50 17.236 -2.129 2.646 396 1HZ LYS 50 1HZ LYS 50 19.920 -0.847 2.823 397 2HZ LYS 50 3HZ LYS 50 19.595 -2.478 3.154 398 3HZ LYS 50 2HZ LYS 50 19.384 -1.876 1.579 399 H LEU 51 H LEU 51 14.173 2.576 2.275 400 HA LEU 51 HA LEU 51 15.671 4.513 0.711 401 1HB LEU 51 2HB LEU 51 13.164 2.950 0.606 402 2HB LEU 51 1HB LEU 51 13.097 4.473 -0.262 403 HG LEU 51 HG LEU 51 14.671 3.820 -1.808 404 1HD1 LEU 51 3HD1 LEU 51 15.765 2.099 0.396 405 2HD1 LEU 51 2HD1 LEU 51 16.168 1.732 -1.282 406 3HD1 LEU 51 1HD1 LEU 51 16.601 3.301 -0.591 407 1HD2 LEU 51 3HD2 LEU 51 13.143 1.460 -0.799 408 2HD2 LEU 51 2HD2 LEU 51 12.976 2.329 -2.326 409 3HD2 LEU 51 1HD2 LEU 51 14.331 1.222 -2.085 410 H ASN 52 H ASN 52 12.919 4.656 2.926 411 HA ASN 52 HA ASN 52 11.985 7.274 2.424 412 1HB ASN 52 2HB ASN 52 10.961 5.442 3.824 413 2HB ASN 52 1HB ASN 52 12.137 5.824 5.081 414 1HD2 ASN 52 1HD2 ASN 52 11.623 7.520 6.484 415 2HD2 ASN 52 2HD2 ASN 52 10.328 8.595 6.253 416 H ASP 53 H ASP 53 14.535 6.125 4.666 417 HA ASP 53 HA ASP 53 15.208 8.830 5.606 418 1HB ASP 53 2HB ASP 53 16.594 6.141 5.889 419 2HB ASP 53 1HB ASP 53 17.022 7.597 6.785 420 H ALA 54 H ALA 54 16.631 6.481 3.308 421 HA ALA 54 HA ALA 54 19.035 7.967 2.708 422 1HB ALA 54 2HB ALA 54 19.204 6.378 0.867 423 2HB ALA 54 3HB ALA 54 17.481 6.013 0.977 424 3HB ALA 54 1HB ALA 54 18.572 5.530 2.277 425 H GLN 55 H GLN 55 15.824 7.827 1.134 426 HA GLN 55 HA GLN 55 16.532 9.901 -0.850 427 1HB GLN 55 2HB GLN 55 13.947 8.452 -0.215 428 2HB GLN 55 1HB GLN 55 14.222 9.472 -1.623 429 1HG GLN 55 2HG GLN 55 16.036 7.949 -2.368 430 2HG GLN 55 1HG GLN 55 15.733 6.908 -0.974 431 1HE2 GLN 55 1HE2 GLN 55 13.052 6.614 -0.822 432 2HE2 GLN 55 2HE2 GLN 55 12.394 6.018 -2.266 433 H ALA 56 H ALA 56 15.694 10.052 2.406 434 HA ALA 56 HA ALA 56 13.613 12.037 2.482 435 1HB ALA 56 1HB ALA 56 15.433 12.243 4.698 436 2HB ALA 56 3HB ALA 56 13.820 11.535 4.669 437 3HB ALA 56 2HB ALA 56 15.223 10.536 4.287 438 HA PRO 57 HA PRO 57 15.749 15.733 1.570 439 1HB PRO 57 2HB PRO 57 14.370 17.527 3.109 440 2HB PRO 57 1HB PRO 57 13.701 16.796 1.636 441 1HG PRO 57 2HG PRO 57 13.233 16.069 4.483 442 2HG PRO 57 1HG PRO 57 12.084 16.152 3.136 443 1HD PRO 57 1HD PRO 57 13.133 13.822 4.057 444 2HD PRO 57 2HD PRO 57 12.631 14.063 2.370 445 H LYS 58 H LYS 58 17.412 17.083 2.408 446 HA LYS 58 HA LYS 58 18.326 16.416 5.181 447 1HB LYS 58 2HB LYS 58 19.640 16.039 2.920 448 2HB LYS 58 1HB LYS 58 19.997 17.761 3.063 449 1HG LYS 58 2HG LYS 58 20.397 16.079 5.499 450 2HG LYS 58 1HG LYS 58 21.556 15.886 4.186 451 1HD LYS 58 2HD LYS 58 22.604 17.740 4.918 452 2HD LYS 58 1HD LYS 58 21.183 18.670 4.449 453 1HE LYS 58 2HE LYS 58 20.338 17.641 6.844 454 2HE LYS 58 1HE LYS 58 22.073 17.835 7.151 455 1HZ LYS 58 3HZ LYS 58 21.933 20.103 6.300 456 2HZ LYS 58 2HZ LYS 58 20.265 19.920 6.028 457 3HZ LYS 58 1HZ LYS 58 20.879 19.893 7.610 458 H1 VAL 1 2H VAL 1 -2.421 -16.447 -16.456 459 H2 VAL 1 1H VAL 1 -0.900 -17.197 -16.375 460 H3 VAL 1 3H VAL 1 -2.198 -17.986 -17.134 461 HA VAL 1 HA VAL 1 -3.328 -18.362 -15.101 462 HB VAL 1 HB VAL 1 -0.320 -18.815 -14.957 463 1HG1 VAL 1 1HG1 VAL 1 -2.542 -19.886 -13.198 464 2HG1 VAL 1 3HG1 VAL 1 -0.979 -20.689 -13.350 465 3HG1 VAL 1 2HG1 VAL 1 -1.069 -19.055 -12.696 466 1HG2 VAL 1 3HG2 VAL 1 -2.691 -20.439 -15.913 467 2HG2 VAL 1 2HG2 VAL 1 -1.249 -19.979 -16.819 468 3HG2 VAL 1 1HG2 VAL 1 -1.137 -21.188 -15.540 469 H ASP 2 H ASP 2 -0.264 -16.636 -14.246 470 HA ASP 2 HA ASP 2 -1.339 -15.707 -11.691 471 1HB ASP 2 2HB ASP 2 1.161 -15.172 -13.318 472 2HB ASP 2 1HB ASP 2 0.863 -14.365 -11.780 473 H ASN 3 H ASN 3 -2.492 -13.869 -11.342 474 HA ASN 3 HA ASN 3 -2.520 -11.741 -13.457 475 1HB ASN 3 2HB ASN 3 -4.922 -11.481 -12.967 476 2HB ASN 3 1HB ASN 3 -4.571 -13.145 -13.415 477 1HD2 ASN 3 1HD2 ASN 3 -6.152 -11.246 -11.074 478 2HD2 ASN 3 2HD2 ASN 3 -6.289 -12.422 -9.857 479 H LYS 4 H LYS 4 -0.628 -11.444 -11.544 480 HA LYS 4 HA LYS 4 -1.486 -10.147 -9.100 481 1HB LYS 4 2HB LYS 4 1.119 -10.147 -10.663 482 2HB LYS 4 1HB LYS 4 0.948 -9.431 -9.062 483 1HG LYS 4 2HG LYS 4 0.167 -11.649 -8.202 484 2HG LYS 4 1HG LYS 4 0.497 -12.341 -9.792 485 1HD LYS 4 2HD LYS 4 2.873 -11.559 -9.574 486 2HD LYS 4 1HD LYS 4 2.508 -11.048 -7.927 487 1HE LYS 4 2HE LYS 4 3.240 -13.179 -7.425 488 2HE LYS 4 1HE LYS 4 1.571 -13.609 -7.842 489 1HZ LYS 4 2HZ LYS 4 2.276 -13.895 -10.159 490 2HZ LYS 4 1HZ LYS 4 3.884 -13.548 -9.722 491 3HZ LYS 4 3HZ LYS 4 3.122 -14.942 -9.125 492 H PHE 5 H PHE 5 -2.308 -8.137 -8.884 493 HA PHE 5 HA PHE 5 -2.064 -6.158 -11.111 494 1HB PHE 5 2HB PHE 5 -3.977 -6.885 -8.954 495 2HB PHE 5 1HB PHE 5 -3.872 -5.173 -9.308 496 HD1 PHE 5 HD1 PHE 5 -3.525 -8.089 -11.643 497 HD2 PHE 5 HD2 PHE 5 -5.869 -4.696 -10.440 498 HE1 PHE 5 HE1 PHE 5 -5.005 -8.421 -13.595 499 HE2 PHE 5 HE2 PHE 5 -7.347 -5.029 -12.397 500 HZ PHE 5 HZ PHE 5 -6.918 -6.891 -13.977 501 H ASN 6 H ASN 6 0.333 -6.352 -9.797 502 HA ASN 6 HA ASN 6 0.674 -4.817 -7.404 503 1HB ASN 6 2HB ASN 6 2.663 -5.159 -9.664 504 2HB ASN 6 1HB ASN 6 3.024 -4.847 -7.969 505 1HD2 ASN 6 1HD2 ASN 6 4.052 -7.161 -9.424 506 2HD2 ASN 6 2HD2 ASN 6 3.394 -8.545 -8.696 507 H LYS 7 H LYS 7 0.710 -3.874 -10.799 508 HA LYS 7 HA LYS 7 1.523 -1.137 -10.576 509 1HB LYS 7 2HB LYS 7 1.203 -2.588 -12.663 510 2HB LYS 7 1HB LYS 7 -0.537 -2.332 -12.461 511 1HG LYS 7 2HG LYS 7 -0.151 0.131 -12.594 512 2HG LYS 7 1HG LYS 7 1.557 -0.177 -12.914 513 1HD LYS 7 2HD LYS 7 0.936 -1.489 -14.921 514 2HD LYS 7 1HD LYS 7 -0.765 -1.142 -14.611 515 1HE LYS 7 2HE LYS 7 0.560 1.369 -14.554 516 2HE LYS 7 1HE LYS 7 1.180 0.508 -15.974 517 1HZ LYS 7 1HZ LYS 7 -1.697 0.802 -15.258 518 2HZ LYS 7 3HZ LYS 7 -0.898 1.661 -16.482 519 3HZ LYS 7 2HZ LYS 7 -1.092 -0.020 -16.617 520 H GLU 8 H GLU 8 -1.585 -2.708 -10.258 521 HA GLU 8 HA GLU 8 -3.173 -0.330 -10.029 522 1HB GLU 8 2HB GLU 8 -3.486 -3.261 -9.498 523 2HB GLU 8 1HB GLU 8 -4.748 -2.152 -8.960 524 1HG GLU 8 2HG GLU 8 -5.372 -2.813 -11.161 525 2HG GLU 8 1HG GLU 8 -4.717 -1.189 -11.305 526 H LEU 9 H LEU 9 -1.431 -2.289 -7.665 527 HA LEU 9 HA LEU 9 -2.603 -0.976 -5.354 528 1HB LEU 9 2HB LEU 9 0.162 -2.152 -5.385 529 2HB LEU 9 1HB LEU 9 -0.973 -2.061 -4.091 530 HG LEU 9 HG LEU 9 -1.451 -3.774 -6.506 531 1HD1 LEU 9 2HD1 LEU 9 0.226 -4.166 -4.136 532 2HD1 LEU 9 1HD1 LEU 9 -0.998 -5.427 -4.313 533 3HD1 LEU 9 3HD1 LEU 9 0.162 -5.132 -5.619 534 1HD2 LEU 9 2HD2 LEU 9 -3.463 -2.974 -5.235 535 2HD2 LEU 9 1HD2 LEU 9 -3.235 -4.731 -5.098 536 3HD2 LEU 9 3HD2 LEU 9 -2.770 -3.672 -3.762 537 H SER 10 H SER 10 -0.035 -0.246 -7.601 538 HA SER 10 HA SER 10 1.404 1.703 -6.064 539 1HB SER 10 2HB SER 10 2.577 1.258 -7.957 540 2HB SER 10 1HB SER 10 1.173 0.646 -8.785 541 HG SER 10 HG SER 10 1.225 2.432 -9.880 542 H VAL 11 H VAL 11 -1.229 2.000 -8.494 543 HA VAL 11 HA VAL 11 -1.692 4.856 -7.917 544 HB VAL 11 HB VAL 11 -3.333 2.934 -9.606 545 1HG1 VAL 11 1HG1 VAL 11 -2.823 5.918 -9.781 546 2HG1 VAL 11 3HG1 VAL 11 -3.796 4.984 -10.916 547 3HG1 VAL 11 2HG1 VAL 11 -4.317 5.152 -9.239 548 1HG2 VAL 11 3HG2 VAL 11 -0.784 4.425 -10.335 549 2HG2 VAL 11 2HG2 VAL 11 -1.003 2.671 -10.296 550 3HG2 VAL 11 1HG2 VAL 11 -1.849 3.644 -11.507 551 H ALA 12 H ALA 12 -3.736 1.903 -7.739 552 HA ALA 12 HA ALA 12 -5.934 3.039 -6.322 553 1HB ALA 12 2HB ALA 12 -5.626 0.773 -7.587 554 2HB ALA 12 3HB ALA 12 -6.676 0.800 -6.166 555 3HB ALA 12 1HB ALA 12 -5.027 0.161 -6.032 556 H GLY 13 H GLY 13 -3.161 1.213 -5.124 557 1HA GLY 13 1HA GLY 13 -2.204 1.013 -3.024 558 2HA GLY 13 2HA GLY 13 -3.823 1.251 -2.364 559 H ARG 14 H ARG 14 -1.417 3.255 -4.092 560 HA ARG 14 HA ARG 14 -0.842 4.938 -1.897 561 1HB ARG 14 2HB ARG 14 0.409 4.621 -4.064 562 2HB ARG 14 1HB ARG 14 -0.744 5.718 -4.814 563 1HG ARG 14 2HG ARG 14 1.396 6.792 -4.031 564 2HG ARG 14 1HG ARG 14 -0.069 7.532 -3.395 565 1HD ARG 14 2HD ARG 14 0.496 7.026 -1.252 566 2HD ARG 14 1HD ARG 14 1.008 5.384 -1.686 567 HE ARG 14 HE ARG 14 3.199 6.225 -2.174 568 1HH1 ARG 14 1HH1 ARG 14 2.795 8.699 -3.618 569 2HH1 ARG 14 2HH1 ARG 14 3.181 9.931 -2.464 570 1HH2 ARG 14 1HH2 ARG 14 2.910 7.804 0.287 571 2HH2 ARG 14 2HH2 ARG 14 3.248 9.421 -0.235 572 H GLU 15 H GLU 15 -3.442 5.371 -4.383 573 HA GLU 15 HA GLU 15 -4.202 8.051 -3.551 574 1HB GLU 15 2HB GLU 15 -5.516 5.761 -5.003 575 2HB GLU 15 1HB GLU 15 -6.479 7.153 -4.520 576 1HG GLU 15 2HG GLU 15 -4.050 8.111 -5.705 577 2HG GLU 15 1HG GLU 15 -4.773 6.920 -6.788 578 H ILE 16 H ILE 16 -5.286 4.813 -2.587 579 HA ILE 16 HA ILE 16 -7.218 5.504 -0.564 580 HB ILE 16 HB ILE 16 -5.464 3.076 -1.171 581 1HG1 ILE 16 2HG1 ILE 16 -8.444 3.396 -1.569 582 2HG1 ILE 16 1HG1 ILE 16 -7.289 3.883 -2.801 583 1HG2 ILE 16 2HG2 ILE 16 -7.510 3.508 0.967 584 2HG2 ILE 16 1HG2 ILE 16 -7.417 1.915 0.187 585 3HG2 ILE 16 3HG2 ILE 16 -6.008 2.587 1.024 586 1HD1 ILE 16 2HD1 ILE 16 -6.361 1.404 -2.299 587 2HD1 ILE 16 1HD1 ILE 16 -8.059 1.163 -1.885 588 3HD1 ILE 16 3HD1 ILE 16 -7.617 1.731 -3.496 589 H VAL 17 H VAL 17 -3.724 5.322 -0.663 590 HA VAL 17 HA VAL 17 -3.201 5.258 2.198 591 HB VAL 17 HB VAL 17 -1.754 5.537 -0.398 592 1HG1 VAL 17 1HG1 VAL 17 -0.737 6.669 2.142 593 2HG1 VAL 17 3HG1 VAL 17 0.389 5.743 1.146 594 3HG1 VAL 17 2HG1 VAL 17 -0.425 7.158 0.465 595 1HG2 VAL 17 2HG2 VAL 17 -2.130 3.549 1.602 596 2HG2 VAL 17 1HG2 VAL 17 -1.336 3.431 0.013 597 3HG2 VAL 17 3HG2 VAL 17 -0.404 3.901 1.429 598 H THR 18 H THR 18 -3.108 7.802 -0.345 599 HA THR 18 HA THR 18 -2.463 9.820 1.715 600 HB THR 18 HB THR 18 -1.047 9.654 -0.227 601 HG1 THR 18 HG1 THR 18 -2.606 12.010 -0.480 602 1HG2 THR 18 1HG2 THR 18 -3.568 9.476 -1.659 603 2HG2 THR 18 3HG2 THR 18 -2.511 10.702 -2.363 604 3HG2 THR 18 2HG2 THR 18 -1.940 9.042 -2.179 605 H LEU 19 H LEU 19 -5.510 8.940 0.128 606 HA LEU 19 HA LEU 19 -6.488 11.639 -0.059 607 1HB LEU 19 2HB LEU 19 -8.730 10.738 -0.143 608 2HB LEU 19 1HB LEU 19 -7.657 9.826 -1.157 609 HG LEU 19 HG LEU 19 -8.964 8.177 -0.240 610 1HD1 LEU 19 3HD1 LEU 19 -6.681 8.418 1.707 611 2HD1 LEU 19 2HD1 LEU 19 -7.823 7.077 1.722 612 3HD1 LEU 19 1HD1 LEU 19 -6.816 7.354 0.301 613 1HD2 LEU 19 1HD2 LEU 19 -9.118 10.031 2.081 614 2HD2 LEU 19 3HD2 LEU 19 -10.395 9.318 1.098 615 3HD2 LEU 19 2HD2 LEU 19 -9.559 8.330 2.289 616 HA PRO 20 HA PRO 20 -5.989 12.623 4.170 617 1HB PRO 20 2HB PRO 20 -6.697 15.248 3.970 618 2HB PRO 20 1HB PRO 20 -5.154 14.594 3.387 619 1HG PRO 20 2HG PRO 20 -7.575 15.367 1.870 620 2HG PRO 20 1HG PRO 20 -5.871 15.456 1.407 621 1HD PRO 20 1HD PRO 20 -7.677 13.499 0.587 622 2HD PRO 20 2HD PRO 20 -5.906 13.381 0.501 623 H ASN 21 H ASN 21 -9.168 13.096 2.652 624 HA ASN 21 HA ASN 21 -10.566 14.145 4.940 625 1HB ASN 21 2HB ASN 21 -11.196 12.686 2.446 626 2HB ASN 21 1HB ASN 21 -12.433 12.627 3.699 627 1HD2 ASN 21 1HD2 ASN 21 -13.947 14.097 2.817 628 2HD2 ASN 21 2HD2 ASN 21 -13.593 15.725 2.483 629 H LEU 22 H LEU 22 -9.530 10.856 4.160 630 HA LEU 22 HA LEU 22 -11.020 9.766 6.472 631 1HB LEU 22 2HB LEU 22 -11.245 8.049 5.059 632 2HB LEU 22 1HB LEU 22 -10.311 8.920 3.858 633 HG LEU 22 HG LEU 22 -9.026 7.209 5.996 634 1HD1 LEU 22 3HD1 LEU 22 -10.773 6.207 4.177 635 2HD1 LEU 22 2HD1 LEU 22 -9.295 6.218 3.208 636 3HD1 LEU 22 1HD1 LEU 22 -9.342 5.333 4.732 637 1HD2 LEU 22 1HD2 LEU 22 -8.163 8.495 3.408 638 2HD2 LEU 22 3HD2 LEU 22 -7.410 8.617 4.989 639 3HD2 LEU 22 2HD2 LEU 22 -7.288 7.121 4.066 640 H ASN 23 H ASN 23 -9.802 8.250 7.931 641 HA ASN 23 HA ASN 23 -7.143 9.481 8.603 642 1HB ASN 23 2HB ASN 23 -7.628 8.499 10.902 643 2HB ASN 23 1HB ASN 23 -8.717 9.769 10.364 644 1HD2 ASN 23 1HD2 ASN 23 -10.499 8.997 11.707 645 2HD2 ASN 23 2HD2 ASN 23 -11.312 7.548 11.357 646 H ASP 24 H ASP 24 -5.565 7.975 9.746 647 HA ASP 24 HA ASP 24 -4.561 6.074 8.015 648 1HB ASP 24 2HB ASP 24 -3.049 5.438 9.827 649 2HB ASP 24 1HB ASP 24 -3.282 7.178 9.756 650 HA PRO 25 HA PRO 25 -6.451 2.373 10.451 651 1HB PRO 25 2HB PRO 25 -9.001 2.707 11.410 652 2HB PRO 25 1HB PRO 25 -7.543 2.911 12.404 653 1HG PRO 25 2HG PRO 25 -9.224 4.973 11.069 654 2HG PRO 25 1HG PRO 25 -8.501 4.985 12.683 655 1HD PRO 25 1HD PRO 25 -7.421 6.344 10.634 656 2HD PRO 25 2HD PRO 25 -6.432 5.606 11.903 657 H GLN 26 H GLN 26 -8.680 4.643 8.761 658 HA GLN 26 HA GLN 26 -10.207 2.601 7.396 659 1HB GLN 26 2HB GLN 26 -9.665 5.502 6.671 660 2HB GLN 26 1HB GLN 26 -10.993 4.523 6.057 661 1HG GLN 26 2HG GLN 26 -10.595 5.001 9.009 662 2HG GLN 26 1HG GLN 26 -11.504 6.120 8.009 663 1HE2 GLN 26 1HE2 GLN 26 -13.473 5.661 9.108 664 2HE2 GLN 26 2HE2 GLN 26 -14.294 4.185 8.922 665 H LYS 27 H LYS 27 -7.539 4.753 6.191 666 HA LYS 27 HA LYS 27 -7.276 3.597 3.621 667 1HB LYS 27 2HB LYS 27 -4.806 4.338 3.865 668 2HB LYS 27 1HB LYS 27 -6.075 5.562 3.888 669 1HG LYS 27 2HG LYS 27 -5.931 5.425 6.446 670 2HG LYS 27 1HG LYS 27 -4.465 4.491 6.201 671 1HD LYS 27 2HD LYS 27 -3.550 6.618 6.298 672 2HD LYS 27 1HD LYS 27 -3.867 6.515 4.566 673 1HE LYS 27 2HE LYS 27 -5.423 8.166 4.649 674 2HE LYS 27 1HE LYS 27 -6.207 7.465 6.075 675 1HZ LYS 27 1HZ LYS 27 -4.261 8.288 7.391 676 2HZ LYS 27 3HZ LYS 27 -3.744 9.130 6.011 677 3HZ LYS 27 2HZ LYS 27 -5.233 9.518 6.736 678 H LYS 28 H LYS 28 -5.745 2.553 6.669 679 HA LYS 28 HA LYS 28 -4.119 0.456 5.565 680 1HB LYS 28 2HB LYS 28 -5.277 1.229 8.202 681 2HB LYS 28 1HB LYS 28 -4.936 -0.491 8.042 682 1HG LYS 28 2HG LYS 28 -2.705 0.701 6.950 683 2HG LYS 28 1HG LYS 28 -3.073 1.754 8.302 684 1HD LYS 28 2HD LYS 28 -2.715 0.040 9.850 685 2HD LYS 28 1HD LYS 28 -3.055 -1.224 8.668 686 1HE LYS 28 2HE LYS 28 -0.749 -1.406 8.689 687 2HE LYS 28 1HE LYS 28 -0.896 -0.112 7.484 688 1HZ LYS 28 3HZ LYS 28 -0.834 1.492 9.381 689 2HZ LYS 28 2HZ LYS 28 -0.455 0.196 10.415 690 3HZ LYS 28 1HZ LYS 28 0.609 0.633 9.165 691 H ALA 29 H ALA 29 -7.490 0.519 6.765 692 HA ALA 29 HA ALA 29 -8.206 -2.198 6.613 693 1HB ALA 29 3HB ALA 29 -10.438 -1.393 6.712 694 2HB ALA 29 2HB ALA 29 -9.478 -0.131 7.484 695 3HB ALA 29 1HB ALA 29 -10.034 0.075 5.823 696 H PHE 30 H PHE 30 -8.532 0.242 3.905 697 HA PHE 30 HA PHE 30 -9.314 -1.986 2.132 698 1HB PHE 30 2HB PHE 30 -8.630 0.350 0.591 699 2HB PHE 30 1HB PHE 30 -10.163 -0.472 0.740 700 HD1 PHE 30 HD1 PHE 30 -11.971 0.513 1.966 701 HD2 PHE 30 HD2 PHE 30 -7.999 2.095 2.215 702 HE1 PHE 30 HE1 PHE 30 -12.866 2.554 2.987 703 HE2 PHE 30 HE2 PHE 30 -8.907 4.156 3.263 704 HZ PHE 30 HZ PHE 30 -11.340 4.383 3.650 705 H ILE 31 H ILE 31 -6.287 -0.124 2.738 706 HA ILE 31 HA ILE 31 -4.914 -1.032 0.389 707 HB ILE 31 HB ILE 31 -4.053 -0.097 3.104 708 1HG1 ILE 31 2HG1 ILE 31 -4.382 0.931 0.377 709 2HG1 ILE 31 1HG1 ILE 31 -4.181 1.827 1.885 710 1HG2 ILE 31 3HG2 ILE 31 -2.496 -2.020 2.338 711 2HG2 ILE 31 2HG2 ILE 31 -2.074 -0.990 0.960 712 3HG2 ILE 31 1HG2 ILE 31 -1.708 -0.470 2.595 713 1HD1 ILE 31 3HD1 ILE 31 -1.890 0.507 0.459 714 2HD1 ILE 31 2HD1 ILE 31 -2.416 2.143 0.107 715 3HD1 ILE 31 1HD1 ILE 31 -1.835 1.739 1.727 716 H PHE 32 H PHE 32 -5.115 -2.453 3.664 717 HA PHE 32 HA PHE 32 -3.524 -4.766 3.145 718 1HB PHE 32 2HB PHE 32 -5.621 -3.946 5.148 719 2HB PHE 32 1HB PHE 32 -5.044 -5.609 5.152 720 HD1 PHE 32 HD1 PHE 32 -3.307 -6.046 6.732 721 HD2 PHE 32 HD2 PHE 32 -3.367 -2.134 4.737 722 HE1 PHE 32 HE1 PHE 32 -1.260 -5.354 7.878 723 HE2 PHE 32 HE2 PHE 32 -1.352 -1.553 5.947 724 HZ PHE 32 HZ PHE 32 -0.291 -3.154 7.464 725 H SER 33 H SER 33 -7.035 -4.150 2.607 726 HA SER 33 HA SER 33 -7.577 -6.881 1.666 727 1HB SER 33 2HB SER 33 -9.781 -6.028 1.229 728 2HB SER 33 1HB SER 33 -9.235 -5.229 2.693 729 HG SER 33 HG SER 33 -10.199 -3.855 1.044 730 H LEU 34 H LEU 34 -6.613 -3.794 0.177 731 HA LEU 34 HA LEU 34 -6.983 -4.381 -2.618 732 1HB LEU 34 2HB LEU 34 -6.437 -2.151 -1.583 733 2HB LEU 34 1HB LEU 34 -4.844 -2.738 -1.179 734 HG LEU 34 HG LEU 34 -4.707 -3.205 -3.760 735 1HD1 LEU 34 2HD1 LEU 34 -7.124 -1.501 -3.466 736 2HD1 LEU 34 1HD1 LEU 34 -5.996 -1.036 -4.739 737 3HD1 LEU 34 3HD1 LEU 34 -6.703 -2.652 -4.734 738 1HD2 LEU 34 3HD2 LEU 34 -3.743 -1.223 -2.078 739 2HD2 LEU 34 2HD2 LEU 34 -3.291 -1.406 -3.768 740 3HD2 LEU 34 1HD2 LEU 34 -4.575 -0.289 -3.323 741 H TRP 35 H TRP 35 -4.369 -4.965 -0.307 742 HA TRP 35 HA TRP 35 -2.437 -6.166 -2.040 743 1HB TRP 35 2HB TRP 35 -2.147 -5.264 0.281 744 2HB TRP 35 1HB TRP 35 -2.981 -6.700 0.895 745 HD1 TRP 35 HD1 TRP 35 -1.583 -8.795 1.193 746 HE1 TRP 35 HE1 TRP 35 0.767 -9.517 0.485 747 HE3 TRP 35 HE3 TRP 35 -0.340 -4.895 -1.808 748 HZ2 TRP 35 HZ2 TRP 35 2.915 -8.558 -1.126 749 HZ3 TRP 35 HZ3 TRP 35 1.859 -4.838 -2.942 750 HH2 TRP 35 HH2 TRP 35 3.472 -6.646 -2.599 751 H ASP 36 H ASP 36 -5.071 -7.598 -0.023 752 HA ASP 36 HA ASP 36 -4.487 -10.360 -0.655 753 1HB ASP 36 2HB ASP 36 -6.939 -8.909 0.397 754 2HB ASP 36 1HB ASP 36 -6.851 -10.660 0.259 755 H ASP 37 H ASP 37 -6.941 -8.045 -1.898 756 HA ASP 37 HA ASP 37 -7.089 -9.677 -4.365 757 1HB ASP 37 2HB ASP 37 -9.230 -9.019 -2.380 758 2HB ASP 37 1HB ASP 37 -9.683 -9.105 -4.080 759 HA PRO 38 HA PRO 38 -6.749 -5.230 -5.507 760 1HB PRO 38 2HB PRO 38 -5.315 -5.660 -7.777 761 2HB PRO 38 1HB PRO 38 -4.569 -5.525 -6.172 762 1HG PRO 38 2HG PRO 38 -5.253 -7.980 -7.735 763 2HG PRO 38 1HG PRO 38 -3.792 -7.617 -6.804 764 1HD PRO 38 1HD PRO 38 -5.759 -9.197 -5.844 765 2HD PRO 38 2HD PRO 38 -4.781 -8.147 -4.792 766 H SER 39 H SER 39 -8.381 -7.957 -6.760 767 HA SER 39 HA SER 39 -9.228 -7.159 -9.374 768 1HB SER 39 2HB SER 39 -9.667 -9.254 -7.662 769 2HB SER 39 1HB SER 39 -11.212 -8.422 -7.552 770 HG SER 39 HG SER 39 -11.256 -9.877 -9.272 771 H GLN 40 H GLN 40 -10.314 -6.282 -6.114 772 HA GLN 40 HA GLN 40 -12.467 -4.479 -7.082 773 1HB GLN 40 2HB GLN 40 -11.413 -4.818 -4.266 774 2HB GLN 40 1HB GLN 40 -13.014 -4.285 -4.761 775 1HG GLN 40 2HG GLN 40 -13.193 -6.656 -5.843 776 2HG GLN 40 1HG GLN 40 -11.844 -7.044 -4.772 777 1HE2 GLN 40 1HE2 GLN 40 -12.445 -5.677 -2.440 778 2HE2 GLN 40 2HE2 GLN 40 -13.929 -6.205 -1.809 779 H SER 41 H SER 41 -9.338 -4.012 -7.449 780 HA SER 41 HA SER 41 -8.321 -1.965 -5.843 781 1HB SER 41 2HB SER 41 -7.021 -3.081 -7.457 782 2HB SER 41 1HB SER 41 -8.096 -2.612 -8.767 783 HG SER 41 HG SER 41 -6.672 -1.060 -8.978 784 H ALA 42 H ALA 42 -10.369 -1.539 -8.791 785 HA ALA 42 HA ALA 42 -10.421 1.351 -8.725 786 1HB ALA 42 2HB ALA 42 -12.436 -0.682 -9.770 787 2HB ALA 42 1HB ALA 42 -12.398 1.026 -10.211 788 3HB ALA 42 3HB ALA 42 -11.069 -0.036 -10.677 789 H ASN 43 H ASN 43 -12.570 -1.167 -7.363 790 HA ASN 43 HA ASN 43 -14.444 0.582 -6.093 791 1HB ASN 43 2HB ASN 43 -14.700 -1.862 -6.700 792 2HB ASN 43 1HB ASN 43 -13.638 -2.243 -5.346 793 1HD2 ASN 43 1HD2 ASN 43 -14.706 -2.629 -3.408 794 2HD2 ASN 43 2HD2 ASN 43 -16.257 -2.060 -3.019 795 H LEU 44 H LEU 44 -11.279 -0.742 -5.105 796 HA LEU 44 HA LEU 44 -11.483 -0.111 -2.279 797 1HB LEU 44 2HB LEU 44 -9.428 -0.929 -4.278 798 2HB LEU 44 1HB LEU 44 -8.850 -0.271 -2.747 799 HG LEU 44 HG LEU 44 -11.051 -2.250 -2.573 800 1HD1 LEU 44 3HD1 LEU 44 -8.772 -2.846 -4.158 801 2HD1 LEU 44 2HD1 LEU 44 -8.547 -3.667 -2.610 802 3HD1 LEU 44 1HD1 LEU 44 -9.997 -3.979 -3.564 803 1HD2 LEU 44 2HD2 LEU 44 -8.909 -1.064 -0.978 804 2HD2 LEU 44 1HD2 LEU 44 -10.385 -1.887 -0.452 805 3HD2 LEU 44 3HD2 LEU 44 -8.940 -2.830 -0.830 806 H LEU 45 H LEU 45 -9.894 1.461 -4.976 807 HA LEU 45 HA LEU 45 -8.939 3.825 -3.716 808 1HB LEU 45 2HB LEU 45 -8.320 3.034 -5.977 809 2HB LEU 45 1HB LEU 45 -9.970 3.262 -6.527 810 HG LEU 45 HG LEU 45 -9.734 5.533 -6.741 811 1HD1 LEU 45 1HD1 LEU 45 -7.847 5.337 -4.394 812 2HD1 LEU 45 3HD1 LEU 45 -7.934 6.799 -5.383 813 3HD1 LEU 45 2HD1 LEU 45 -9.365 6.234 -4.528 814 1HD2 LEU 45 3HD2 LEU 45 -7.889 4.291 -8.002 815 2HD2 LEU 45 2HD2 LEU 45 -7.630 6.018 -7.753 816 3HD2 LEU 45 1HD2 LEU 45 -6.790 4.843 -6.738 817 H ALA 46 H ALA 46 -12.050 3.007 -5.250 818 HA ALA 46 HA ALA 46 -13.391 5.523 -4.859 819 1HB ALA 46 1HB ALA 46 -14.029 3.544 -6.333 820 2HB ALA 46 3HB ALA 46 -14.510 2.701 -4.857 821 3HB ALA 46 2HB ALA 46 -15.360 4.168 -5.357 822 H GLU 47 H GLU 47 -13.290 2.487 -2.970 823 HA GLU 47 HA GLU 47 -14.970 3.134 -0.792 824 1HB GLU 47 2HB GLU 47 -12.653 1.326 -1.356 825 2HB GLU 47 1HB GLU 47 -13.170 1.480 0.320 826 1HG GLU 47 2HG GLU 47 -15.455 0.813 -0.310 827 2HG GLU 47 1HG GLU 47 -14.970 0.710 -2.002 828 H ALA 48 H ALA 48 -11.557 3.857 -1.382 829 HA ALA 48 HA ALA 48 -10.861 4.897 1.207 830 1HB ALA 48 2HB ALA 48 -8.938 4.586 0.025 831 2HB ALA 48 3HB ALA 48 -9.248 6.166 -0.695 832 3HB ALA 48 1HB ALA 48 -9.775 4.684 -1.530 833 H LYS 49 H LYS 49 -11.774 6.547 -1.838 834 HA LYS 49 HA LYS 49 -11.929 9.211 -0.741 835 1HB LYS 49 2HB LYS 49 -13.170 7.914 -3.192 836 2HB LYS 49 1HB LYS 49 -13.092 9.655 -2.917 837 1HG LYS 49 2HG LYS 49 -10.614 9.520 -2.814 838 2HG LYS 49 1HG LYS 49 -10.703 7.788 -3.130 839 1HD LYS 49 2HD LYS 49 -11.999 8.391 -5.261 840 2HD LYS 49 1HD LYS 49 -11.480 10.054 -4.975 841 1HE LYS 49 2HE LYS 49 -9.122 8.581 -4.674 842 2HE LYS 49 1HE LYS 49 -9.940 7.797 -6.040 843 1HZ LYS 49 3HZ LYS 49 -10.292 9.993 -7.028 844 2HZ LYS 49 2HZ LYS 49 -9.465 10.724 -5.736 845 3HZ LYS 49 1HZ LYS 49 -8.639 9.689 -6.798 846 H LYS 50 H LYS 50 -14.448 6.749 -1.425 847 HA LYS 50 HA LYS 50 -16.725 8.290 -0.578 848 1HB LYS 50 2HB LYS 50 -16.155 5.315 -0.753 849 2HB LYS 50 1HB LYS 50 -17.756 5.969 -0.402 850 1HG LYS 50 2HG LYS 50 -17.710 7.237 -2.520 851 2HG LYS 50 1HG LYS 50 -16.114 6.582 -2.881 852 1HD LYS 50 2HD LYS 50 -17.110 4.270 -2.747 853 2HD LYS 50 1HD LYS 50 -18.699 5.023 -2.597 854 1HE LYS 50 2HE LYS 50 -18.562 5.988 -4.790 855 2HE LYS 50 1HE LYS 50 -16.830 5.620 -4.916 856 1HZ LYS 50 1HZ LYS 50 -17.367 3.251 -4.736 857 2HZ LYS 50 3HZ LYS 50 -19.024 3.618 -4.674 858 3HZ LYS 50 2HZ LYS 50 -18.134 3.951 -6.081 859 H LEU 51 H LEU 51 -14.550 6.064 1.212 860 HA LEU 51 HA LEU 51 -15.984 6.196 3.722 861 1HB LEU 51 2HB LEU 51 -14.246 4.485 2.995 862 2HB LEU 51 1HB LEU 51 -13.013 5.710 3.216 863 HG LEU 51 HG LEU 51 -13.161 5.611 5.540 864 1HD1 LEU 51 3HD1 LEU 51 -16.015 4.598 5.255 865 2HD1 LEU 51 2HD1 LEU 51 -15.184 4.861 6.786 866 3HD1 LEU 51 1HD1 LEU 51 -15.541 6.229 5.734 867 1HD2 LEU 51 3HD2 LEU 51 -13.846 2.964 4.319 868 2HD2 LEU 51 2HD2 LEU 51 -12.420 3.443 5.239 869 3HD2 LEU 51 1HD2 LEU 51 -13.930 3.095 6.075 870 H ASN 52 H ASN 52 -13.405 8.142 2.219 871 HA ASN 52 HA ASN 52 -12.861 9.886 4.436 872 1HB ASN 52 2HB ASN 52 -11.372 10.723 2.936 873 2HB ASN 52 1HB ASN 52 -11.871 9.405 1.921 874 1HD2 ASN 52 1HD2 ASN 52 -11.170 10.845 0.069 875 2HD2 ASN 52 2HD2 ASN 52 -12.239 12.040 -0.488 876 H ASP 53 H ASP 53 -15.305 9.871 1.869 877 HA ASP 53 HA ASP 53 -16.354 12.486 2.236 878 1HB ASP 53 2HB ASP 53 -16.684 10.805 0.335 879 2HB ASP 53 1HB ASP 53 -17.875 10.013 1.362 880 H ALA 54 H ALA 54 -17.130 9.348 3.783 881 HA ALA 54 HA ALA 54 -19.513 10.174 5.188 882 1HB ALA 54 2HB ALA 54 -18.924 7.854 4.757 883 2HB ALA 54 1HB ALA 54 -17.418 8.029 5.658 884 3HB ALA 54 3HB ALA 54 -18.965 8.093 6.506 885 H GLN 55 H GLN 55 -16.054 10.221 6.053 886 HA GLN 55 HA GLN 55 -16.519 11.195 8.792 887 1HB GLN 55 2HB GLN 55 -14.117 10.720 7.007 888 2HB GLN 55 1HB GLN 55 -13.963 11.267 8.666 889 1HG GLN 55 2HG GLN 55 -14.934 9.272 9.536 890 2HG GLN 55 1HG GLN 55 -15.537 8.788 7.951 891 1HE2 GLN 55 1HE2 GLN 55 -13.240 9.154 6.346 892 2HE2 GLN 55 2HE2 GLN 55 -12.028 8.088 6.883 893 H ALA 56 H ALA 56 -15.581 12.544 5.636 894 HA ALA 56 HA ALA 56 -15.992 15.312 6.664 895 1HB ALA 56 2HB ALA 56 -13.661 15.003 6.968 896 2HB ALA 56 3HB ALA 56 -13.768 15.786 5.391 897 3HB ALA 56 1HB ALA 56 -13.518 14.041 5.494 898 HA PRO 57 HA PRO 57 -17.903 15.559 2.619 899 1HB PRO 57 2HB PRO 57 -18.013 18.282 2.338 900 2HB PRO 57 1HB PRO 57 -19.114 17.374 3.394 901 1HG PRO 57 2HG PRO 57 -16.649 18.892 4.088 902 2HG PRO 57 1HG PRO 57 -18.205 18.831 4.932 903 1HD PRO 57 1HD PRO 57 -16.044 17.431 5.762 904 2HD PRO 57 2HD PRO 57 -17.707 16.841 5.981 905 H LYS 58 H LYS 58 -17.098 15.668 0.505 906 HA LYS 58 HA LYS 58 -14.238 16.127 0.110 907 1HB LYS 58 2HB LYS 58 -16.572 15.459 -1.709 908 2HB LYS 58 1HB LYS 58 -14.927 15.637 -2.314 909 1HG LYS 58 2HG LYS 58 -14.176 13.870 -0.728 910 2HG LYS 58 1HG LYS 58 -15.847 13.659 -0.202 911 1HD LYS 58 2HD LYS 58 -16.456 13.180 -2.606 912 2HD LYS 58 1HD LYS 58 -14.735 13.191 -2.985 913 1HE LYS 58 2HE LYS 58 -14.505 11.060 -2.235 914 2HE LYS 58 1HE LYS 58 -15.256 11.481 -0.685 915 1HZ LYS 58 3HZ LYS 58 -17.435 11.380 -1.775 916 2HZ LYS 58 2HZ LYS 58 -16.693 10.901 -3.227 917 3HZ LYS 58 1HZ LYS 58 -16.627 9.893 -1.862 No H/Q in entry = 917 Start of MODEL 29 1 H1 VAL 1 2H VAL 1 2.769 -24.817 11.085 2 H2 VAL 1 1H VAL 1 1.339 -24.833 10.168 3 H3 VAL 1 3H VAL 1 2.665 -25.780 9.692 4 HA VAL 1 HA VAL 1 3.953 -23.875 9.097 5 HB VAL 1 HB VAL 1 1.047 -23.781 8.186 6 1HG1 VAL 1 2HG1 VAL 1 3.501 -22.368 7.113 7 2HG1 VAL 1 1HG1 VAL 1 2.078 -22.673 6.116 8 3HG1 VAL 1 3HG1 VAL 1 1.946 -21.662 7.554 9 1HG2 VAL 1 2HG2 VAL 1 3.553 -25.140 7.160 10 2HG2 VAL 1 1HG2 VAL 1 2.024 -25.888 7.620 11 3HG2 VAL 1 3HG2 VAL 1 2.124 -24.919 6.151 12 H ASP 2 H ASP 2 4.509 -21.767 9.581 13 HA ASP 2 HA ASP 2 3.078 -20.352 11.707 14 1HB ASP 2 2HB ASP 2 4.947 -18.735 11.458 15 2HB ASP 2 1HB ASP 2 5.540 -20.391 11.543 16 H ASN 3 H ASN 3 2.377 -18.065 11.493 17 HA ASN 3 HA ASN 3 1.307 -17.409 8.757 18 1HB ASN 3 2HB ASN 3 0.090 -17.091 11.526 19 2HB ASN 3 1HB ASN 3 -0.631 -16.429 10.062 20 1HD2 ASN 3 1HD2 ASN 3 -0.835 -18.249 8.207 21 2HD2 ASN 3 2HD2 ASN 3 -1.419 -19.749 8.747 22 H LYS 4 H LYS 4 3.843 -16.474 9.606 23 HA LYS 4 HA LYS 4 3.364 -13.598 10.339 24 1HB LYS 4 2HB LYS 4 5.744 -13.667 11.077 25 2HB LYS 4 1HB LYS 4 4.771 -14.879 11.902 26 1HG LYS 4 2HG LYS 4 5.604 -16.607 10.359 27 2HG LYS 4 1HG LYS 4 6.555 -15.396 9.506 28 1HD LYS 4 2HD LYS 4 7.862 -14.961 11.524 29 2HD LYS 4 1HD LYS 4 6.882 -16.115 12.431 30 1HE LYS 4 2HE LYS 4 8.457 -17.655 11.828 31 2HE LYS 4 1HE LYS 4 7.710 -17.598 10.222 32 1HZ LYS 4 1HZ LYS 4 9.151 -15.615 9.770 33 2HZ LYS 4 3HZ LYS 4 9.976 -15.947 11.217 34 3HZ LYS 4 2HZ LYS 4 10.002 -17.073 9.947 35 H PHE 5 H PHE 5 2.929 -14.407 7.626 36 HA PHE 5 HA PHE 5 5.054 -12.872 6.274 37 1HB PHE 5 2HB PHE 5 4.132 -15.672 5.689 38 2HB PHE 5 1HB PHE 5 4.829 -14.678 4.408 39 HD1 PHE 5 HD1 PHE 5 5.495 -16.511 7.511 40 HD2 PHE 5 HD2 PHE 5 7.161 -13.842 4.587 41 HE1 PHE 5 HE1 PHE 5 7.771 -17.027 8.335 42 HE2 PHE 5 HE2 PHE 5 9.440 -14.350 5.425 43 HZ PHE 5 HZ PHE 5 9.739 -15.939 7.306 44 H ASN 6 H ASN 6 1.771 -14.316 5.952 45 HA ASN 6 HA ASN 6 0.948 -12.979 3.583 46 1HB ASN 6 2HB ASN 6 -0.267 -14.804 4.791 47 2HB ASN 6 1HB ASN 6 -0.691 -13.652 6.058 48 1HD2 ASN 6 1HD2 ASN 6 -1.085 -14.195 2.507 49 2HD2 ASN 6 2HD2 ASN 6 -2.554 -13.351 2.399 50 H LYS 7 H LYS 7 0.433 -11.899 7.013 51 HA LYS 7 HA LYS 7 -0.481 -9.278 6.169 52 1HB LYS 7 2HB LYS 7 -1.301 -10.064 8.230 53 2HB LYS 7 1HB LYS 7 0.336 -10.420 8.836 54 1HG LYS 7 2HG LYS 7 0.835 -7.973 8.739 55 2HG LYS 7 1HG LYS 7 -0.824 -7.679 8.212 56 1HD LYS 7 2HD LYS 7 -1.709 -8.520 10.246 57 2HD LYS 7 1HD LYS 7 -0.124 -9.134 10.747 58 1HE LYS 7 2HE LYS 7 -0.518 -6.181 10.195 59 2HE LYS 7 1HE LYS 7 -0.941 -6.862 11.775 60 1HZ LYS 7 3HZ LYS 7 1.301 -7.882 11.841 61 2HZ LYS 7 2HZ LYS 7 1.698 -7.061 10.407 62 3HZ LYS 7 1HZ LYS 7 1.353 -6.190 11.821 63 H GLU 8 H GLU 8 2.732 -10.603 6.915 64 HA GLU 8 HA GLU 8 4.128 -8.150 7.401 65 1HB GLU 8 2HB GLU 8 5.014 -10.659 5.925 66 2HB GLU 8 1HB GLU 8 6.093 -9.358 6.420 67 1HG GLU 8 2HG GLU 8 4.457 -11.147 8.235 68 2HG GLU 8 1HG GLU 8 6.216 -11.124 8.052 69 H GLN 9 H GLN 9 3.152 -9.813 4.414 70 HA GLN 9 HA GLN 9 4.270 -7.945 2.556 71 1HB GLN 9 2HB GLN 9 1.895 -9.819 2.409 72 2HB GLN 9 1HB GLN 9 2.572 -8.981 1.023 73 1HG GLN 9 2HG GLN 9 4.648 -10.171 1.216 74 2HG GLN 9 1HG GLN 9 4.159 -10.886 2.754 75 1HE2 GLN 9 1HE2 GLN 9 3.474 -10.912 -0.758 76 2HE2 GLN 9 2HE2 GLN 9 2.644 -12.394 -0.744 77 H GLN 10 H GLN 10 1.161 -8.261 4.220 78 HA GLN 10 HA GLN 10 -0.317 -6.073 3.077 79 1HB GLN 10 2HB GLN 10 -0.537 -8.078 5.058 80 2HB GLN 10 1HB GLN 10 -0.859 -6.569 5.864 81 1HG GLN 10 2HG GLN 10 -2.965 -6.885 5.100 82 2HG GLN 10 1HG GLN 10 -2.312 -6.237 3.605 83 1HE2 GLN 10 1HE2 GLN 10 -4.036 -7.651 2.513 84 2HE2 GLN 10 2HE2 GLN 10 -3.714 -9.301 2.294 85 H ASN 11 H ASN 11 1.658 -6.281 6.046 86 HA ASN 11 HA ASN 11 1.379 -3.500 6.780 87 1HB ASN 11 2HB ASN 11 2.008 -5.573 8.204 88 2HB ASN 11 1HB ASN 11 3.634 -5.394 7.538 89 1HD2 ASN 11 1HD2 ASN 11 4.969 -3.733 8.422 90 2HD2 ASN 11 2HD2 ASN 11 4.444 -2.649 9.618 91 H ALA 12 H ALA 12 3.971 -5.390 5.159 92 HA ALA 12 HA ALA 12 5.809 -3.216 4.766 93 1HB ALA 12 1HB ALA 12 5.280 -5.874 3.425 94 2HB ALA 12 2HB ALA 12 6.641 -5.417 4.459 95 3HB ALA 12 3HB ALA 12 6.525 -4.777 2.814 96 H PHE 13 H PHE 13 3.159 -4.540 2.767 97 HA PHE 13 HA PHE 13 3.404 -2.853 0.469 98 1HB PHE 13 2HB PHE 13 1.924 -4.797 0.477 99 2HB PHE 13 1HB PHE 13 1.059 -4.201 1.883 100 HD1 PHE 13 HD1 PHE 13 2.090 -2.602 -1.332 101 HD2 PHE 13 HD2 PHE 13 -1.116 -3.637 1.304 102 HE1 PHE 13 HE1 PHE 13 0.484 -1.532 -2.861 103 HE2 PHE 13 HE2 PHE 13 -2.726 -2.550 -0.216 104 HZ PHE 13 HZ PHE 13 -1.924 -1.501 -2.295 105 H TYR 14 H TYR 14 1.276 -2.568 3.311 106 HA TYR 14 HA TYR 14 0.197 -0.011 2.925 107 1HB TYR 14 2HB TYR 14 -0.427 -1.695 4.603 108 2HB TYR 14 1HB TYR 14 1.066 -1.365 5.482 109 HD1 TYR 14 HD1 TYR 14 1.262 0.517 6.910 110 HD2 TYR 14 HD2 TYR 14 -2.081 0.202 4.237 111 HE1 TYR 14 HE1 TYR 14 0.175 2.434 8.019 112 HE2 TYR 14 HE2 TYR 14 -3.158 2.013 5.342 113 HH TYR 14 HH TYR 14 -1.557 4.167 7.431 114 H GLU 15 H GLU 15 3.143 -0.853 4.841 115 HA GLU 15 HA GLU 15 3.891 1.823 5.499 116 1HB GLU 15 2HB GLU 15 5.448 -0.763 5.220 117 2HB GLU 15 1HB GLU 15 6.156 0.718 5.866 118 1HG GLU 15 2HG GLU 15 3.749 -0.751 7.010 119 2HG GLU 15 1HG GLU 15 5.367 -0.726 7.701 120 H ILE 16 H ILE 16 4.883 -0.271 2.716 121 HA ILE 16 HA ILE 16 6.723 1.529 1.474 122 HB ILE 16 HB ILE 16 4.895 -0.703 0.634 123 1HG1 ILE 16 2HG1 ILE 16 7.733 -0.473 -0.216 124 2HG1 ILE 16 1HG1 ILE 16 7.456 -0.544 1.520 125 1HG2 ILE 16 2HG2 ILE 16 6.218 1.175 -1.326 126 2HG2 ILE 16 1HG2 ILE 16 5.773 -0.482 -1.745 127 3HG2 ILE 16 3HG2 ILE 16 4.528 0.679 -1.278 128 1HD1 ILE 16 2HD1 ILE 16 5.868 -2.480 -0.021 129 2HD1 ILE 16 1HD1 ILE 16 7.631 -2.728 -0.116 130 3HD1 ILE 16 3HD1 ILE 16 6.825 -2.702 1.453 131 H LEU 17 H LEU 17 3.167 1.310 1.132 132 HA LEU 17 HA LEU 17 2.877 3.627 -0.619 133 1HB LEU 17 2HB LEU 17 0.909 2.312 1.288 134 2HB LEU 17 1HB LEU 17 0.487 3.420 -0.013 135 HG LEU 17 HG LEU 17 2.109 1.200 -0.979 136 1HD1 LEU 17 1HD1 LEU 17 0.324 0.464 1.017 137 2HD1 LEU 17 3HD1 LEU 17 -0.578 0.209 -0.485 138 3HD1 LEU 17 2HD1 LEU 17 0.977 -0.579 -0.243 139 1HD2 LEU 17 1HD2 LEU 17 0.442 2.875 -2.155 140 2HD2 LEU 17 3HD2 LEU 17 0.595 1.194 -2.712 141 3HD2 LEU 17 2HD2 LEU 17 -0.749 1.644 -1.651 142 H HIS 18 H HIS 18 2.656 3.215 2.951 143 HA HIS 18 HA HIS 18 1.937 6.040 3.369 144 1HB HIS 18 2HB HIS 18 2.422 3.635 5.137 145 2HB HIS 18 1HB HIS 18 2.146 5.236 5.821 146 HD1 HIS 18 HD1 HIS 18 -0.260 6.211 5.660 147 HD2 HIS 18 HD2 HIS 18 0.107 2.486 3.852 148 HE1 HIS 18 HE1 HIS 18 -2.603 5.356 5.104 149 H LEU 19 H LEU 19 4.943 4.695 2.673 150 HA LEU 19 HA LEU 19 6.600 5.928 4.705 151 1HB LEU 19 2HB LEU 19 6.966 4.676 2.010 152 2HB LEU 19 1HB LEU 19 8.275 5.695 2.601 153 HG LEU 19 HG LEU 19 7.060 3.388 4.159 154 1HD1 LEU 19 3HD1 LEU 19 9.522 3.590 2.430 155 2HD1 LEU 19 2HD1 LEU 19 9.383 2.379 3.709 156 3HD1 LEU 19 1HD1 LEU 19 8.238 2.384 2.365 157 1HD2 LEU 19 2HD2 LEU 19 8.791 5.573 4.900 158 2HD2 LEU 19 1HD2 LEU 19 8.131 4.292 5.912 159 3HD2 LEU 19 3HD2 LEU 19 9.655 4.048 5.061 160 HA PRO 20 HA PRO 20 6.044 10.130 3.463 161 1HB PRO 20 2HB PRO 20 8.205 11.238 4.731 162 2HB PRO 20 1HB PRO 20 6.715 10.742 5.560 163 1HG PRO 20 2HG PRO 20 9.315 9.308 5.328 164 2HG PRO 20 1HG PRO 20 8.244 9.480 6.727 165 1HD PRO 20 1HD PRO 20 8.325 7.240 5.231 166 2HD PRO 20 2HD PRO 20 6.840 7.797 6.028 167 H ASN 21 H ASN 21 9.033 8.413 2.543 168 HA ASN 21 HA ASN 21 9.505 10.606 0.538 169 1HB ASN 21 2HB ASN 21 11.590 8.832 1.824 170 2HB ASN 21 1HB ASN 21 11.883 10.229 0.809 171 1HD2 ASN 21 1HD2 ASN 21 11.568 12.344 1.744 172 2HD2 ASN 21 2HD2 ASN 21 11.376 12.566 3.413 173 H LEU 22 H LEU 22 8.109 7.714 0.482 174 HA LEU 22 HA LEU 22 9.735 6.475 -1.666 175 1HB LEU 22 2HB LEU 22 7.362 5.691 0.004 176 2HB LEU 22 1HB LEU 22 7.584 4.893 -1.545 177 HG LEU 22 HG LEU 22 9.207 4.676 0.955 178 1HD1 LEU 22 3HD1 LEU 22 8.375 2.863 -1.316 179 2HD1 LEU 22 2HD1 LEU 22 9.477 2.338 -0.037 180 3HD1 LEU 22 1HD1 LEU 22 7.823 2.817 0.359 181 1HD2 LEU 22 2HD2 LEU 22 10.396 4.532 -1.830 182 2HD2 LEU 22 1HD2 LEU 22 10.940 5.541 -0.476 183 3HD2 LEU 22 3HD2 LEU 22 11.140 3.785 -0.416 184 H ASN 23 H ASN 23 9.264 6.635 -3.777 185 HA ASN 23 HA ASN 23 6.900 8.292 -4.572 186 1HB ASN 23 2HB ASN 23 8.229 8.420 -6.788 187 2HB ASN 23 1HB ASN 23 8.863 9.290 -5.412 188 1HD2 ASN 23 1HD2 ASN 23 9.695 7.070 -7.853 189 2HD2 ASN 23 2HD2 ASN 23 11.151 6.509 -7.185 190 H GLU 24 H GLU 24 6.308 7.581 -7.051 191 HA GLU 24 HA GLU 24 4.905 5.089 -6.786 192 1HB GLU 24 2HB GLU 24 4.373 7.059 -8.300 193 2HB GLU 24 1HB GLU 24 5.671 6.512 -9.360 194 1HG GLU 24 2HG GLU 24 3.754 4.401 -8.581 195 2HG GLU 24 1HG GLU 24 3.059 5.685 -9.564 196 H GLU 25 H GLU 25 7.987 5.860 -8.464 197 HA GLU 25 HA GLU 25 8.390 3.275 -9.656 198 1HB GLU 25 2HB GLU 25 9.593 5.416 -10.185 199 2HB GLU 25 1HB GLU 25 10.449 5.266 -8.651 200 1HG GLU 25 2HG GLU 25 11.281 3.012 -9.418 201 2HG GLU 25 1HG GLU 25 10.574 3.354 -10.997 202 H GLN 26 H GLN 26 9.472 4.595 -6.489 203 HA GLN 26 HA GLN 26 10.806 2.128 -5.651 204 1HB GLN 26 2HB GLN 26 9.864 4.594 -4.154 205 2HB GLN 26 1HB GLN 26 10.887 3.342 -3.458 206 1HG GLN 26 2HG GLN 26 11.679 4.766 -6.004 207 2HG GLN 26 1HG GLN 26 12.052 5.447 -4.426 208 1HE2 GLN 26 1HE2 GLN 26 14.292 5.063 -4.212 209 2HE2 GLN 26 2HE2 GLN 26 15.014 3.538 -4.377 210 H ARG 27 H ARG 27 7.750 3.697 -4.630 211 HA ARG 27 HA ARG 27 6.886 1.659 -2.839 212 1HB ARG 27 2HB ARG 27 5.965 3.888 -2.833 213 2HB ARG 27 1HB ARG 27 5.452 3.747 -4.511 214 1HG ARG 27 2HG ARG 27 4.277 1.598 -3.024 215 2HG ARG 27 1HG ARG 27 3.966 3.111 -2.176 216 1HD ARG 27 2HD ARG 27 3.542 2.919 -5.162 217 2HD ARG 27 1HD ARG 27 2.277 2.426 -4.021 218 HE ARG 27 HE ARG 27 2.405 4.690 -3.044 219 1HH1 ARG 27 1HH1 ARG 27 4.601 6.174 -3.680 220 2HH1 ARG 27 2HH1 ARG 27 4.274 6.965 -5.183 221 1HH2 ARG 27 1HH2 ARG 27 1.658 4.841 -6.045 222 2HH2 ARG 27 2HH2 ARG 27 2.614 6.195 -6.539 223 H ASN 28 H ASN 28 5.913 2.170 -6.301 224 HA ASN 28 HA ASN 28 4.144 -0.096 -6.475 225 1HB ASN 28 2HB ASN 28 4.076 1.769 -8.029 226 2HB ASN 28 1HB ASN 28 5.715 1.452 -8.522 227 1HD2 ASN 28 1HD2 ASN 28 5.308 0.951 -10.733 228 2HD2 ASN 28 2HD2 ASN 28 4.398 -0.400 -11.213 229 H ALA 29 H ALA 29 7.601 0.289 -7.359 230 HA ALA 29 HA ALA 29 8.057 -2.327 -8.437 231 1HB ALA 29 3HB ALA 29 9.544 -0.288 -8.422 232 2HB ALA 29 1HB ALA 29 10.365 -1.792 -8.000 233 3HB ALA 29 2HB ALA 29 9.905 -0.653 -6.730 234 H PHE 30 H PHE 30 8.068 -1.057 -5.123 235 HA PHE 30 HA PHE 30 8.947 -3.433 -3.772 236 1HB PHE 30 2HB PHE 30 7.419 -0.928 -3.089 237 2HB PHE 30 1HB PHE 30 7.585 -2.208 -1.891 238 HD1 PHE 30 HD1 PHE 30 10.415 -3.050 -3.227 239 HD2 PHE 30 HD2 PHE 30 8.768 0.569 -1.614 240 HE1 PHE 30 HE1 PHE 30 12.661 -2.303 -2.636 241 HE2 PHE 30 HE2 PHE 30 11.041 1.315 -1.015 242 HZ PHE 30 HZ PHE 30 12.982 -0.165 -1.519 243 H ILE 31 H ILE 31 5.751 -2.146 -4.570 244 HA ILE 31 HA ILE 31 4.230 -4.297 -3.411 245 HB ILE 31 HB ILE 31 3.715 -2.270 -5.611 246 1HG1 ILE 31 2HG1 ILE 31 2.646 -2.354 -2.818 247 2HG1 ILE 31 1HG1 ILE 31 4.225 -1.666 -3.132 248 1HG2 ILE 31 3HG2 ILE 31 2.157 -4.564 -4.774 249 2HG2 ILE 31 2HG2 ILE 31 1.324 -3.053 -4.422 250 3HG2 ILE 31 1HG2 ILE 31 1.839 -3.410 -6.067 251 1HD1 ILE 31 3HD1 ILE 31 1.680 -0.818 -4.527 252 2HD1 ILE 31 2HD1 ILE 31 2.385 0.008 -3.119 253 3HD1 ILE 31 1HD1 ILE 31 3.279 -0.049 -4.639 254 H GLN 32 H GLN 32 6.012 -3.978 -6.499 255 HA GLN 32 HA GLN 32 4.794 -6.327 -7.730 256 1HB GLN 32 2HB GLN 32 7.218 -4.609 -8.235 257 2HB GLN 32 1HB GLN 32 6.935 -6.073 -9.183 258 1HG GLN 32 2HG GLN 32 4.775 -5.256 -9.915 259 2HG GLN 32 1HG GLN 32 4.887 -3.864 -8.839 260 1HE2 GLN 32 1HE2 GLN 32 6.153 -2.078 -9.512 261 2HE2 GLN 32 2HE2 GLN 32 6.890 -1.985 -11.036 262 H SER 33 H SER 33 7.945 -5.714 -6.112 263 HA SER 33 HA SER 33 8.852 -8.455 -6.009 264 1HB SER 33 2HB SER 33 10.378 -7.455 -4.241 265 2HB SER 33 1HB SER 33 10.416 -6.674 -5.816 266 HG SER 33 HG SER 33 9.964 -4.948 -4.703 267 H LEU 34 H LEU 34 6.786 -6.538 -3.928 268 HA LEU 34 HA LEU 34 6.793 -8.336 -1.630 269 1HB LEU 34 2HB LEU 34 6.540 -5.855 -1.641 270 2HB LEU 34 1HB LEU 34 5.007 -6.031 -2.482 271 HG LEU 34 HG LEU 34 4.241 -7.419 -0.483 272 1HD1 LEU 34 2HD1 LEU 34 6.826 -6.285 0.564 273 2HD1 LEU 34 1HD1 LEU 34 5.510 -6.806 1.618 274 3HD1 LEU 34 3HD1 LEU 34 6.298 -7.969 0.553 275 1HD2 LEU 34 3HD2 LEU 34 3.795 -4.929 -0.982 276 2HD2 LEU 34 2HD2 LEU 34 3.572 -5.471 0.677 277 3HD2 LEU 34 1HD2 LEU 34 5.031 -4.598 0.229 278 H LYS 35 H LYS 35 4.395 -7.590 -4.242 279 HA LYS 35 HA LYS 35 2.401 -9.480 -3.317 280 1HB LYS 35 2HB LYS 35 2.887 -7.777 -5.724 281 2HB LYS 35 1HB LYS 35 1.782 -9.104 -5.936 282 1HG LYS 35 2HG LYS 35 0.978 -8.034 -3.530 283 2HG LYS 35 1HG LYS 35 1.379 -6.624 -4.512 284 1HD LYS 35 2HD LYS 35 -0.289 -7.035 -6.032 285 2HD LYS 35 1HD LYS 35 -0.194 -8.785 -5.828 286 1HE LYS 35 2HE LYS 35 -1.058 -7.366 -3.391 287 2HE LYS 35 1HE LYS 35 -2.178 -7.198 -4.754 288 1HZ LYS 35 3HZ LYS 35 -1.020 -9.775 -3.809 289 2HZ LYS 35 2HZ LYS 35 -2.595 -9.238 -3.472 290 3HZ LYS 35 1HZ LYS 35 -2.140 -9.586 -5.072 291 H ASP 36 H ASP 36 5.062 -9.716 -5.693 292 HA ASP 36 HA ASP 36 4.354 -12.451 -6.485 293 1HB ASP 36 2HB ASP 36 6.772 -10.681 -6.986 294 2HB ASP 36 1HB ASP 36 6.518 -12.245 -7.753 295 H ASP 37 H ASP 37 6.760 -10.980 -4.245 296 HA ASP 37 HA ASP 37 7.531 -13.757 -3.386 297 1HB ASP 37 2HB ASP 37 9.204 -12.067 -4.485 298 2HB ASP 37 1HB ASP 37 9.189 -11.290 -2.903 299 HA PRO 38 HA PRO 38 5.330 -12.257 0.298 300 1HB PRO 38 2HB PRO 38 5.053 -14.724 1.448 301 2HB PRO 38 1HB PRO 38 3.997 -14.129 0.150 302 1HG PRO 38 2HG PRO 38 6.339 -15.960 -0.028 303 2HG PRO 38 1HG PRO 38 4.754 -16.069 -0.816 304 1HD PRO 38 1HD PRO 38 6.940 -15.161 -2.101 305 2HD PRO 38 2HD PRO 38 5.303 -14.555 -2.440 306 H SER 39 H SER 39 8.049 -14.633 0.446 307 HA SER 39 HA SER 39 8.696 -14.165 3.213 308 1HB SER 39 2HB SER 39 10.720 -15.426 2.677 309 2HB SER 39 1HB SER 39 9.337 -16.154 1.869 310 HG SER 39 HG SER 39 11.459 -15.604 0.679 311 H GLN 40 H GLN 40 9.678 -12.416 0.283 312 HA GLN 40 HA GLN 40 11.835 -10.940 1.644 313 1HB GLN 40 2HB GLN 40 10.761 -11.335 -1.048 314 2HB GLN 40 1HB GLN 40 11.146 -9.647 -0.746 315 1HG GLN 40 2HG GLN 40 13.252 -10.246 -1.313 316 2HG GLN 40 1HG GLN 40 13.339 -10.888 0.325 317 1HE2 GLN 40 1HE2 GLN 40 12.771 -13.278 0.572 318 2HE2 GLN 40 2HE2 GLN 40 13.051 -14.313 -0.743 319 H SER 41 H SER 41 8.458 -10.640 1.819 320 HA SER 41 HA SER 41 7.920 -7.923 1.375 321 1HB SER 41 2HB SER 41 5.995 -8.329 2.882 322 2HB SER 41 1HB SER 41 6.262 -9.704 1.820 323 HG SER 41 HG SER 41 6.618 -10.880 3.523 324 H ALA 42 H ALA 42 8.999 -9.325 4.573 325 HA ALA 42 HA ALA 42 8.939 -6.822 5.989 326 1HB ALA 42 3HB ALA 42 10.871 -9.132 6.199 327 2HB ALA 42 1HB ALA 42 9.302 -9.045 7.007 328 3HB ALA 42 2HB ALA 42 10.586 -7.912 7.442 329 H ASN 43 H ASN 43 11.610 -8.427 4.214 330 HA ASN 43 HA ASN 43 13.647 -6.456 4.485 331 1HB ASN 43 2HB ASN 43 12.893 -8.623 2.592 332 2HB ASN 43 1HB ASN 43 14.049 -7.423 1.998 333 1HD2 ASN 43 1HD2 ASN 43 15.932 -6.988 3.713 334 2HD2 ASN 43 2HD2 ASN 43 16.546 -8.363 4.492 335 H LEU 44 H LEU 44 10.954 -6.812 2.190 336 HA LEU 44 HA LEU 44 11.619 -4.632 0.459 337 1HB LEU 44 2HB LEU 44 9.137 -6.171 1.134 338 2HB LEU 44 1HB LEU 44 9.092 -4.823 -0.011 339 HG LEU 44 HG LEU 44 11.043 -7.115 -0.169 340 1HD1 LEU 44 1HD1 LEU 44 8.412 -7.373 -0.540 341 2HD1 LEU 44 3HD1 LEU 44 8.859 -6.771 -2.138 342 3HD1 LEU 44 2HD1 LEU 44 9.601 -8.248 -1.513 343 1HD2 LEU 44 1HD2 LEU 44 10.881 -4.487 -1.337 344 2HD2 LEU 44 3HD2 LEU 44 12.087 -5.761 -1.601 345 3HD2 LEU 44 2HD2 LEU 44 10.635 -5.723 -2.614 346 H LEU 45 H LEU 45 9.589 -4.842 3.387 347 HA LEU 45 HA LEU 45 8.916 -2.010 3.230 348 1HB LEU 45 2HB LEU 45 7.563 -3.382 4.587 349 2HB LEU 45 1HB LEU 45 8.942 -4.070 5.436 350 HG LEU 45 HG LEU 45 9.368 -1.993 6.576 351 1HD1 LEU 45 3HD1 LEU 45 7.251 -0.827 4.739 352 2HD1 LEU 45 2HD1 LEU 45 7.921 0.023 6.133 353 3HD1 LEU 45 1HD1 LEU 45 8.964 -0.405 4.773 354 1HD2 LEU 45 1HD2 LEU 45 7.462 -3.459 7.347 355 2HD2 LEU 45 3HD2 LEU 45 7.363 -1.780 7.877 356 3HD2 LEU 45 2HD2 LEU 45 6.365 -2.343 6.536 357 H ALA 46 H ALA 46 11.424 -3.905 5.023 358 HA ALA 46 HA ALA 46 12.817 -1.763 6.284 359 1HB ALA 46 3HB ALA 46 13.566 -4.411 5.025 360 2HB ALA 46 2HB ALA 46 14.844 -3.344 5.626 361 3HB ALA 46 1HB ALA 46 13.599 -3.943 6.734 362 H GLU 47 H GLU 47 13.302 -3.016 2.909 363 HA GLU 47 HA GLU 47 15.368 -1.073 2.345 364 1HB GLU 47 2HB GLU 47 15.080 -1.820 -0.007 365 2HB GLU 47 1HB GLU 47 15.299 -3.156 1.113 366 1HG GLU 47 2HG GLU 47 12.778 -3.332 1.117 367 2HG GLU 47 1HG GLU 47 12.823 -2.260 -0.285 368 H ALA 48 H ALA 48 11.793 -1.157 1.938 369 HA ALA 48 HA ALA 48 11.599 1.368 0.557 370 1HB ALA 48 1HB ALA 48 9.936 -0.549 0.970 371 2HB ALA 48 3HB ALA 48 9.706 0.151 2.578 372 3HB ALA 48 2HB ALA 48 9.293 1.084 1.130 373 H LYS 49 H LYS 49 11.765 0.427 4.004 374 HA LYS 49 HA LYS 49 11.357 3.001 5.255 375 1HB LYS 49 2HB LYS 49 12.760 0.399 5.965 376 2HB LYS 49 1HB LYS 49 12.569 1.679 7.133 377 1HG LYS 49 2HG LYS 49 10.353 0.173 5.734 378 2HG LYS 49 1HG LYS 49 10.819 -0.014 7.413 379 1HD LYS 49 2HD LYS 49 9.815 2.552 6.190 380 2HD LYS 49 1HD LYS 49 8.808 1.411 7.070 381 1HE LYS 49 2HE LYS 49 9.630 2.043 9.097 382 2HE LYS 49 1HE LYS 49 11.287 2.168 8.475 383 1HZ LYS 49 1HZ LYS 49 10.683 4.230 7.355 384 2HZ LYS 49 3HZ LYS 49 9.096 4.120 7.951 385 3HZ LYS 49 2HZ LYS 49 10.390 4.361 9.023 386 H LYS 50 H LYS 50 14.085 1.083 4.178 387 HA LYS 50 HA LYS 50 16.296 2.729 4.903 388 1HB LYS 50 2HB LYS 50 16.693 0.475 4.332 389 2HB LYS 50 1HB LYS 50 15.598 0.543 2.973 390 1HG LYS 50 2HG LYS 50 17.427 2.203 1.991 391 2HG LYS 50 1HG LYS 50 18.473 1.323 3.109 392 1HD LYS 50 2HD LYS 50 16.611 -0.081 1.155 393 2HD LYS 50 1HD LYS 50 18.292 0.316 0.765 394 1HE LYS 50 2HE LYS 50 18.997 -0.979 2.831 395 2HE LYS 50 1HE LYS 50 17.310 -1.507 2.997 396 1HZ LYS 50 2HZ LYS 50 17.401 -2.327 0.698 397 2HZ LYS 50 1HZ LYS 50 19.043 -1.894 0.604 398 3HZ LYS 50 3HZ LYS 50 18.545 -3.105 1.682 399 H LEU 51 H LEU 51 14.160 2.624 2.049 400 HA LEU 51 HA LEU 51 15.577 4.656 0.520 401 1HB LEU 51 2HB LEU 51 13.099 3.031 0.396 402 2HB LEU 51 1HB LEU 51 13.028 4.562 -0.462 403 HG LEU 51 HG LEU 51 14.648 3.937 -1.990 404 1HD1 LEU 51 2HD1 LEU 51 15.683 2.170 0.204 405 2HD1 LEU 51 1HD1 LEU 51 16.099 1.807 -1.471 406 3HD1 LEU 51 3HD1 LEU 51 16.552 3.361 -0.766 407 1HD2 LEU 51 1HD2 LEU 51 13.079 1.569 -1.058 408 2HD2 LEU 51 3HD2 LEU 51 12.935 2.481 -2.562 409 3HD2 LEU 51 2HD2 LEU 51 14.277 1.356 -2.338 410 H ASN 52 H ASN 52 12.717 4.632 2.653 411 HA ASN 52 HA ASN 52 11.891 7.324 2.230 412 1HB ASN 52 2HB ASN 52 10.252 6.651 3.635 413 2HB ASN 52 1HB ASN 52 11.059 5.095 3.685 414 1HD2 ASN 52 1HD2 ASN 52 11.113 8.292 5.379 415 2HD2 ASN 52 2HD2 ASN 52 11.492 7.634 6.894 416 H ASP 53 H ASP 53 14.283 5.960 4.514 417 HA ASP 53 HA ASP 53 14.841 8.592 5.716 418 1HB ASP 53 2HB ASP 53 16.221 5.899 5.915 419 2HB ASP 53 1HB ASP 53 16.576 7.297 6.926 420 H ALA 54 H ALA 54 16.475 6.419 3.368 421 HA ALA 54 HA ALA 54 18.877 8.018 3.083 422 1HB ALA 54 3HB ALA 54 17.542 6.047 1.193 423 2HB ALA 54 2HB ALA 54 19.226 6.566 1.114 424 3HB ALA 54 1HB ALA 54 18.660 5.618 2.488 425 H GLN 55 H GLN 55 15.954 7.700 1.009 426 HA GLN 55 HA GLN 55 16.646 9.824 -0.823 427 1HB GLN 55 2HB GLN 55 13.990 8.574 -0.068 428 2HB GLN 55 1HB GLN 55 14.232 9.643 -1.446 429 1HG GLN 55 2HG GLN 55 15.922 8.050 -2.358 430 2HG GLN 55 1HG GLN 55 15.585 6.952 -1.017 431 1HE2 GLN 55 1HE2 GLN 55 12.907 6.811 -0.787 432 2HE2 GLN 55 2HE2 GLN 55 12.160 6.373 -2.244 433 H ALA 56 H ALA 56 15.139 9.782 2.371 434 HA ALA 56 HA ALA 56 13.695 12.211 2.394 435 1HB ALA 56 2HB ALA 56 14.746 12.097 4.901 436 2HB ALA 56 3HB ALA 56 15.022 10.437 4.365 437 3HB ALA 56 1HB ALA 56 13.389 11.107 4.368 438 HA PRO 57 HA PRO 57 16.731 15.380 2.260 439 1HB PRO 57 2HB PRO 57 15.351 17.389 3.497 440 2HB PRO 57 1HB PRO 57 14.938 16.808 1.872 441 1HG PRO 57 2HG PRO 57 13.678 16.160 4.485 442 2HG PRO 57 1HG PRO 57 12.916 16.472 2.918 443 1HD PRO 57 1HD PRO 57 13.284 13.986 3.961 444 2HD PRO 57 2HD PRO 57 13.203 14.316 2.217 445 H LYS 58 H LYS 58 17.961 13.969 3.909 446 HA LYS 58 HA LYS 58 17.986 15.151 6.666 447 1HB LYS 58 2HB LYS 58 18.930 12.491 5.534 448 2HB LYS 58 1HB LYS 58 19.159 12.981 7.212 449 1HG LYS 58 2HG LYS 58 16.676 13.265 7.417 450 2HG LYS 58 1HG LYS 58 16.506 12.623 5.783 451 1HD LYS 58 2HD LYS 58 17.692 10.546 6.527 452 2HD LYS 58 1HD LYS 58 17.695 11.183 8.173 453 1HE LYS 58 2HE LYS 58 15.102 11.439 7.801 454 2HE LYS 58 1HE LYS 58 15.358 10.249 6.513 455 1HZ LYS 58 1HZ LYS 58 16.621 8.904 8.179 456 2HZ LYS 58 3HZ LYS 58 16.093 9.980 9.383 457 3HZ LYS 58 2HZ LYS 58 14.964 9.050 8.517 458 H1 VAL 1 2H VAL 1 -1.771 -2.491 -21.254 459 H2 VAL 1 1H VAL 1 -1.512 -0.901 -20.713 460 H3 VAL 1 3H VAL 1 -1.496 -1.247 -22.376 461 HA VAL 1 HA VAL 1 0.541 -2.425 -22.244 462 HB VAL 1 HB VAL 1 0.494 0.107 -20.550 463 1HG1 VAL 1 3HG1 VAL 1 2.821 -1.408 -21.769 464 2HG1 VAL 1 2HG1 VAL 1 2.925 0.286 -21.286 465 3HG1 VAL 1 1HG1 VAL 1 2.597 -0.955 -20.078 466 1HG2 VAL 1 1HG2 VAL 1 0.920 -0.467 -23.495 467 2HG2 VAL 1 3HG2 VAL 1 -0.313 0.558 -22.761 468 3HG2 VAL 1 2HG2 VAL 1 1.375 1.069 -22.755 469 H ASP 2 H ASP 2 -0.174 -1.281 -18.885 470 HA ASP 2 HA ASP 2 1.493 -3.414 -17.727 471 1HB ASP 2 2HB ASP 2 1.321 -1.071 -16.832 472 2HB ASP 2 1HB ASP 2 -0.363 -1.391 -16.416 473 H ASN 3 H ASN 3 0.712 -5.430 -17.328 474 HA ASN 3 HA ASN 3 -2.237 -5.789 -16.881 475 1HB ASN 3 2HB ASN 3 -0.151 -7.540 -18.230 476 2HB ASN 3 1HB ASN 3 -1.794 -8.080 -17.889 477 1HD2 ASN 3 1HD2 ASN 3 -3.577 -6.515 -18.829 478 2HD2 ASN 3 2HD2 ASN 3 -3.257 -5.852 -20.359 479 H LYS 4 H LYS 4 -0.599 -5.134 -14.719 480 HA LYS 4 HA LYS 4 -0.519 -7.702 -13.170 481 1HB LYS 4 2HB LYS 4 1.728 -6.810 -14.032 482 2HB LYS 4 1HB LYS 4 1.490 -5.440 -12.949 483 1HG LYS 4 2HG LYS 4 2.799 -6.965 -11.690 484 2HG LYS 4 1HG LYS 4 1.160 -7.199 -11.087 485 1HD LYS 4 2HD LYS 4 0.865 -9.181 -12.443 486 2HD LYS 4 1HD LYS 4 2.391 -8.890 -13.281 487 1HE LYS 4 2HE LYS 4 3.038 -10.496 -11.695 488 2HE LYS 4 1HE LYS 4 3.399 -8.996 -10.823 489 1HZ LYS 4 2HZ LYS 4 1.160 -9.078 -9.857 490 2HZ LYS 4 1HZ LYS 4 0.865 -10.552 -10.651 491 3HZ LYS 4 3HZ LYS 4 2.057 -10.461 -9.450 492 H PHE 5 H PHE 5 -1.524 -7.536 -11.173 493 HA PHE 5 HA PHE 5 -3.054 -5.226 -10.437 494 1HB PHE 5 2HB PHE 5 -2.255 -7.809 -9.116 495 2HB PHE 5 1HB PHE 5 -3.213 -6.621 -8.262 496 HD1 PHE 5 HD1 PHE 5 -5.397 -5.805 -9.319 497 HD2 PHE 5 HD2 PHE 5 -3.271 -9.273 -10.696 498 HE1 PHE 5 HE1 PHE 5 -7.443 -6.603 -10.465 499 HE2 PHE 5 HE2 PHE 5 -5.319 -10.071 -11.843 500 HZ PHE 5 HZ PHE 5 -7.405 -8.737 -11.727 501 H ASN 6 H ASN 6 0.242 -6.101 -9.719 502 HA ASN 6 HA ASN 6 0.650 -4.731 -7.259 503 1HB ASN 6 2HB ASN 6 2.619 -5.030 -9.544 504 2HB ASN 6 1HB ASN 6 3.002 -4.820 -7.838 505 1HD2 ASN 6 1HD2 ASN 6 3.962 -7.100 -9.343 506 2HD2 ASN 6 2HD2 ASN 6 3.233 -8.485 -8.694 507 H LYS 7 H LYS 7 0.792 -3.566 -10.598 508 HA LYS 7 HA LYS 7 1.625 -0.864 -10.073 509 1HB LYS 7 2HB LYS 7 1.601 -1.996 -12.307 510 2HB LYS 7 1HB LYS 7 -0.163 -1.969 -12.261 511 1HG LYS 7 2HG LYS 7 0.513 -0.077 -13.578 512 2HG LYS 7 1HG LYS 7 -0.012 0.561 -12.022 513 1HD LYS 7 2HD LYS 7 2.515 0.305 -11.368 514 2HD LYS 7 1HD LYS 7 2.781 0.284 -13.110 515 1HE LYS 7 2HE LYS 7 2.876 2.572 -12.814 516 2HE LYS 7 1HE LYS 7 1.109 2.433 -12.910 517 1HZ LYS 7 1HZ LYS 7 1.076 2.079 -10.484 518 2HZ LYS 7 3HZ LYS 7 2.754 2.337 -10.425 519 3HZ LYS 7 2HZ LYS 7 1.718 3.597 -10.894 520 H GLU 8 H GLU 8 -1.505 -2.449 -10.116 521 HA GLU 8 HA GLU 8 -3.137 -0.121 -9.805 522 1HB GLU 8 2HB GLU 8 -3.385 -3.033 -9.749 523 2HB GLU 8 1HB GLU 8 -4.462 -2.259 -8.590 524 1HG GLU 8 2HG GLU 8 -5.055 -0.667 -10.566 525 2HG GLU 8 1HG GLU 8 -4.353 -1.931 -11.578 526 H LEU 9 H LEU 9 -1.421 -2.129 -7.441 527 HA LEU 9 HA LEU 9 -2.711 -0.912 -5.134 528 1HB LEU 9 2HB LEU 9 0.047 -2.117 -5.117 529 2HB LEU 9 1HB LEU 9 -1.103 -2.006 -3.834 530 HG LEU 9 HG LEU 9 -1.733 -3.648 -6.262 531 1HD1 LEU 9 3HD1 LEU 9 0.118 -4.173 -4.007 532 2HD1 LEU 9 2HD1 LEU 9 -1.066 -5.449 -4.296 533 3HD1 LEU 9 1HD1 LEU 9 0.039 -4.966 -5.587 534 1HD2 LEU 9 1HD2 LEU 9 -3.578 -2.896 -4.724 535 2HD2 LEU 9 3HD2 LEU 9 -3.353 -4.654 -4.695 536 3HD2 LEU 9 2HD2 LEU 9 -2.720 -3.667 -3.381 537 H SER 10 H SER 10 0.049 -0.101 -7.150 538 HA SER 10 HA SER 10 1.298 1.809 -5.401 539 1HB SER 10 2HB SER 10 2.541 1.069 -7.236 540 2HB SER 10 1HB SER 10 1.208 1.253 -8.355 541 HG SER 10 HG SER 10 2.895 3.206 -7.219 542 H VAL 11 H VAL 11 -1.198 2.081 -7.966 543 HA VAL 11 HA VAL 11 -1.680 4.948 -7.487 544 HB VAL 11 HB VAL 11 -3.253 2.905 -9.105 545 1HG1 VAL 11 3HG1 VAL 11 -3.076 5.919 -9.095 546 2HG1 VAL 11 2HG1 VAL 11 -3.649 5.033 -10.509 547 3HG1 VAL 11 1HG1 VAL 11 -4.511 4.901 -8.977 548 1HG2 VAL 11 1HG2 VAL 11 -0.837 4.575 -9.896 549 2HG2 VAL 11 3HG2 VAL 11 -0.904 2.812 -9.791 550 3HG2 VAL 11 2HG2 VAL 11 -1.839 3.663 -11.028 551 H ALA 12 H ALA 12 -3.652 1.963 -7.111 552 HA ALA 12 HA ALA 12 -5.862 3.166 -5.748 553 1HB ALA 12 2HB ALA 12 -5.726 0.918 -6.935 554 2HB ALA 12 3HB ALA 12 -6.554 0.897 -5.380 555 3HB ALA 12 1HB ALA 12 -4.890 0.305 -5.498 556 H GLY 13 H GLY 13 -3.168 1.291 -4.482 557 1HA GLY 13 1HA GLY 13 -2.235 1.122 -2.378 558 2HA GLY 13 2HA GLY 13 -3.844 1.460 -1.744 559 H ARG 14 H ARG 14 -1.398 3.383 -3.548 560 HA ARG 14 HA ARG 14 -0.734 5.019 -1.318 561 1HB ARG 14 2HB ARG 14 0.483 4.703 -3.519 562 2HB ARG 14 1HB ARG 14 -0.631 5.877 -4.213 563 1HG ARG 14 2HG ARG 14 1.466 6.945 -3.460 564 2HG ARG 14 1HG ARG 14 0.075 7.552 -2.565 565 1HD ARG 14 2HD ARG 14 0.901 6.805 -0.596 566 2HD ARG 14 1HD ARG 14 1.300 5.219 -1.281 567 HE ARG 14 HE ARG 14 3.474 6.035 -1.823 568 1HH1 ARG 14 1HH1 ARG 14 3.040 8.570 -3.147 569 2HH1 ARG 14 2HH1 ARG 14 3.549 9.749 -1.985 570 1HH2 ARG 14 1HH2 ARG 14 3.426 7.536 0.706 571 2HH2 ARG 14 2HH2 ARG 14 3.771 9.158 0.211 572 H GLU 15 H GLU 15 -3.306 5.544 -3.792 573 HA GLU 15 HA GLU 15 -4.001 8.212 -2.847 574 1HB GLU 15 2HB GLU 15 -5.417 6.076 -4.460 575 2HB GLU 15 1HB GLU 15 -6.173 7.629 -4.097 576 1HG GLU 15 2HG GLU 15 -4.190 8.777 -5.113 577 2HG GLU 15 1HG GLU 15 -3.564 7.198 -5.585 578 H ILE 16 H ILE 16 -5.163 4.918 -2.102 579 HA ILE 16 HA ILE 16 -7.186 5.615 -0.157 580 HB ILE 16 HB ILE 16 -5.483 3.142 -0.683 581 1HG1 ILE 16 2HG1 ILE 16 -8.437 3.553 -1.199 582 2HG1 ILE 16 1HG1 ILE 16 -7.225 4.024 -2.382 583 1HG2 ILE 16 2HG2 ILE 16 -7.720 3.595 1.295 584 2HG2 ILE 16 1HG2 ILE 16 -7.415 1.993 0.611 585 3HG2 ILE 16 3HG2 ILE 16 -6.162 2.808 1.554 586 1HD1 ILE 16 3HD1 ILE 16 -6.407 1.488 -1.810 587 2HD1 ILE 16 2HD1 ILE 16 -8.149 1.329 -1.579 588 3HD1 ILE 16 1HD1 ILE 16 -7.513 1.890 -3.126 589 H VAL 17 H VAL 17 -3.694 5.283 -0.076 590 HA VAL 17 HA VAL 17 -3.225 5.125 2.763 591 HB VAL 17 HB VAL 17 -1.686 5.694 0.250 592 1HG1 VAL 17 3HG1 VAL 17 -0.848 6.666 2.887 593 2HG1 VAL 17 2HG1 VAL 17 0.334 5.643 2.079 594 3HG1 VAL 17 1HG1 VAL 17 -0.259 7.096 1.275 595 1HG2 VAL 17 3HG2 VAL 17 -2.082 3.509 2.078 596 2HG2 VAL 17 2HG2 VAL 17 -1.340 3.526 0.463 597 3HG2 VAL 17 1HG2 VAL 17 -0.360 3.870 1.881 598 H THR 18 H THR 18 -3.587 7.905 0.507 599 HA THR 18 HA THR 18 -3.535 9.671 2.913 600 HB THR 18 HB THR 18 -1.294 9.451 1.834 601 HG1 THR 18 HG1 THR 18 -2.441 12.034 1.572 602 1HG2 THR 18 2HG2 THR 18 -2.715 10.719 -0.526 603 2HG2 THR 18 1HG2 THR 18 -0.963 10.665 -0.350 604 3HG2 THR 18 3HG2 THR 18 -1.881 9.167 -0.490 605 H LEU 19 H LEU 19 -5.967 8.921 1.202 606 HA LEU 19 HA LEU 19 -6.490 11.210 -0.516 607 1HB LEU 19 2HB LEU 19 -8.889 10.472 -0.273 608 2HB LEU 19 1HB LEU 19 -7.779 9.231 -0.827 609 HG LEU 19 HG LEU 19 -8.054 9.299 2.093 610 1HD1 LEU 19 3HD1 LEU 19 -10.427 9.161 0.285 611 2HD1 LEU 19 2HD1 LEU 19 -10.369 8.062 1.661 612 3HD1 LEU 19 1HD1 LEU 19 -10.288 9.800 1.921 613 1HD2 LEU 19 3HD2 LEU 19 -8.116 7.296 -0.161 614 2HD2 LEU 19 2HD2 LEU 19 -7.024 7.370 1.216 615 3HD2 LEU 19 1HD2 LEU 19 -8.682 6.820 1.441 616 HA PRO 20 HA PRO 20 -6.984 14.594 2.082 617 1HB PRO 20 2HB PRO 20 -9.259 15.838 1.168 618 2HB PRO 20 1HB PRO 20 -7.688 15.864 0.343 619 1HG PRO 20 2HG PRO 20 -10.037 14.075 -0.134 620 2HG PRO 20 1HG PRO 20 -9.042 14.956 -1.308 621 1HD PRO 20 1HD PRO 20 -8.637 12.365 -0.894 622 2HD PRO 20 2HD PRO 20 -7.255 13.466 -1.109 623 H ASN 21 H ASN 21 -9.892 12.509 2.251 624 HA ASN 21 HA ASN 21 -10.483 13.850 4.887 625 1HB ASN 21 2HB ASN 21 -12.333 12.623 2.848 626 2HB ASN 21 1HB ASN 21 -12.850 13.202 4.416 627 1HD2 ASN 21 1HD2 ASN 21 -13.899 14.281 2.005 628 2HD2 ASN 21 2HD2 ASN 21 -13.384 15.895 1.869 629 H LEU 22 H LEU 22 -9.064 11.036 3.988 630 HA LEU 22 HA LEU 22 -10.777 9.253 5.642 631 1HB LEU 22 2HB LEU 22 -9.541 8.749 3.378 632 2HB LEU 22 1HB LEU 22 -8.189 8.428 4.445 633 HG LEU 22 HG LEU 22 -10.071 7.022 5.739 634 1HD1 LEU 22 1HD1 LEU 22 -11.767 7.676 3.967 635 2HD1 LEU 22 3HD1 LEU 22 -10.833 6.711 2.824 636 3HD1 LEU 22 2HD1 LEU 22 -11.589 5.940 4.216 637 1HD2 LEU 22 3HD2 LEU 22 -8.049 6.431 3.667 638 2HD2 LEU 22 2HD2 LEU 22 -8.291 5.700 5.258 639 3HD2 LEU 22 1HD2 LEU 22 -9.265 5.166 3.888 640 H ASN 23 H ASN 23 -9.907 8.061 7.366 641 HA ASN 23 HA ASN 23 -7.712 9.468 8.849 642 1HB ASN 23 2HB ASN 23 -8.721 8.486 10.861 643 2HB ASN 23 1HB ASN 23 -9.933 9.349 9.927 644 1HD2 ASN 23 1HD2 ASN 23 -11.189 7.708 11.535 645 2HD2 ASN 23 2HD2 ASN 23 -11.631 6.235 10.819 646 H ASP 24 H ASP 24 -6.155 8.099 10.063 647 HA ASP 24 HA ASP 24 -4.833 6.247 8.433 648 1HB ASP 24 2HB ASP 24 -3.376 5.866 10.352 649 2HB ASP 24 1HB ASP 24 -3.787 7.568 10.200 650 HA PRO 25 HA PRO 25 -6.571 2.553 11.017 651 1HB PRO 25 2HB PRO 25 -9.193 2.724 11.796 652 2HB PRO 25 1HB PRO 25 -7.829 3.156 12.847 653 1HG PRO 25 2HG PRO 25 -9.604 4.925 11.234 654 2HG PRO 25 1HG PRO 25 -8.988 5.145 12.879 655 1HD PRO 25 1HD PRO 25 -7.919 6.412 10.765 656 2HD PRO 25 2HD PRO 25 -6.952 5.913 12.162 657 H GLN 26 H GLN 26 -8.981 4.423 9.077 658 HA GLN 26 HA GLN 26 -10.182 2.105 7.849 659 1HB GLN 26 2HB GLN 26 -10.081 5.061 7.226 660 2HB GLN 26 1HB GLN 26 -10.941 3.929 6.179 661 1HG GLN 26 2HG GLN 26 -12.397 3.239 7.942 662 2HG GLN 26 1HG GLN 26 -11.418 4.034 9.167 663 1HE2 GLN 26 1HE2 GLN 26 -12.305 5.565 6.067 664 2HE2 GLN 26 2HE2 GLN 26 -13.324 6.723 6.750 665 H LYS 27 H LYS 27 -7.635 4.373 6.624 666 HA LYS 27 HA LYS 27 -7.227 3.034 4.136 667 1HB LYS 27 2HB LYS 27 -4.853 3.990 4.345 668 2HB LYS 27 1HB LYS 27 -6.205 5.122 4.271 669 1HG LYS 27 2HG LYS 27 -6.053 5.109 6.870 670 2HG LYS 27 1HG LYS 27 -4.471 4.382 6.620 671 1HD LYS 27 2HD LYS 27 -4.028 6.706 6.688 672 2HD LYS 27 1HD LYS 27 -4.046 6.313 4.971 673 1HE LYS 27 2HE LYS 27 -6.735 6.896 5.608 674 2HE LYS 27 1HE LYS 27 -5.779 8.144 6.419 675 1HZ LYS 27 3HZ LYS 27 -4.549 8.448 4.320 676 2HZ LYS 27 2HZ LYS 27 -5.598 7.345 3.561 677 3HZ LYS 27 1HZ LYS 27 -6.195 8.815 4.163 678 H LYS 28 H LYS 28 -5.840 2.366 7.346 679 HA LYS 28 HA LYS 28 -3.848 0.481 6.541 680 1HB LYS 28 2HB LYS 28 -5.513 1.002 9.012 681 2HB LYS 28 1HB LYS 28 -4.667 -0.542 8.932 682 1HG LYS 28 2HG LYS 28 -2.945 1.567 8.080 683 2HG LYS 28 1HG LYS 28 -3.590 1.967 9.654 684 1HD LYS 28 2HD LYS 28 -1.641 0.722 10.130 685 2HD LYS 28 1HD LYS 28 -2.933 -0.470 10.277 686 1HE LYS 28 2HE LYS 28 -2.342 -1.545 8.305 687 2HE LYS 28 1HE LYS 28 -1.635 -0.083 7.590 688 1HZ LYS 28 3HZ LYS 28 0.119 -0.196 9.317 689 2HZ LYS 28 2HZ LYS 28 -0.521 -1.676 9.854 690 3HZ LYS 28 1HZ LYS 28 0.132 -1.544 8.292 691 H ALA 29 H ALA 29 -7.219 -0.200 7.723 692 HA ALA 29 HA ALA 29 -7.290 -2.973 6.969 693 1HB ALA 29 3HB ALA 29 -9.749 -2.643 7.201 694 2HB ALA 29 1HB ALA 29 -9.500 -0.897 7.207 695 3HB ALA 29 2HB ALA 29 -8.865 -1.884 8.525 696 H PHE 30 H PHE 30 -7.964 -0.002 5.167 697 HA PHE 30 HA PHE 30 -9.219 -1.102 2.831 698 1HB PHE 30 2HB PHE 30 -8.222 1.396 3.851 699 2HB PHE 30 1HB PHE 30 -7.597 1.183 2.231 700 HD1 PHE 30 HD1 PHE 30 -10.473 1.996 4.231 701 HD2 PHE 30 HD2 PHE 30 -9.187 0.637 0.369 702 HE1 PHE 30 HE1 PHE 30 -12.667 2.645 3.280 703 HE2 PHE 30 HE2 PHE 30 -11.385 1.276 -0.577 704 HZ PHE 30 HZ PHE 30 -13.119 2.286 0.877 705 H ILE 31 H ILE 31 -5.824 -0.119 3.371 706 HA ILE 31 HA ILE 31 -4.824 -1.075 0.861 707 HB ILE 31 HB ILE 31 -3.714 -0.355 3.565 708 1HG1 ILE 31 2HG1 ILE 31 -4.000 0.852 0.870 709 2HG1 ILE 31 1HG1 ILE 31 -3.981 1.629 2.461 710 1HG2 ILE 31 1HG2 ILE 31 -2.394 -2.322 2.317 711 2HG2 ILE 31 3HG2 ILE 31 -1.781 -0.974 1.345 712 3HG2 ILE 31 2HG2 ILE 31 -1.539 -1.001 3.095 713 1HD1 ILE 31 2HD1 ILE 31 -1.471 0.458 1.336 714 2HD1 ILE 31 1HD1 ILE 31 -2.037 2.016 0.792 715 3HD1 ILE 31 3HD1 ILE 31 -1.684 1.771 2.506 716 H PHE 32 H PHE 32 -5.051 -2.533 4.114 717 HA PHE 32 HA PHE 32 -3.686 -4.963 3.496 718 1HB PHE 32 2HB PHE 32 -5.592 -3.989 5.614 719 2HB PHE 32 1HB PHE 32 -5.172 -5.701 5.565 720 HD1 PHE 32 HD1 PHE 32 -3.280 -2.332 5.207 721 HD2 PHE 32 HD2 PHE 32 -3.323 -6.374 6.945 722 HE1 PHE 32 HE1 PHE 32 -1.175 -1.922 6.336 723 HE2 PHE 32 HE2 PHE 32 -1.180 -5.869 7.987 724 HZ PHE 32 HZ PHE 32 -0.108 -3.716 7.655 725 H SER 33 H SER 33 -7.121 -3.950 2.953 726 HA SER 33 HA SER 33 -7.876 -6.665 2.034 727 1HB SER 33 2HB SER 33 -10.011 -5.597 1.500 728 2HB SER 33 1HB SER 33 -9.484 -5.050 3.082 729 HG SER 33 HG SER 33 -9.412 -3.108 2.330 730 H LEU 34 H LEU 34 -6.737 -3.607 0.622 731 HA LEU 34 HA LEU 34 -7.088 -4.166 -2.189 732 1HB LEU 34 2HB LEU 34 -6.653 -1.940 -1.391 733 2HB LEU 34 1HB LEU 34 -5.222 -2.435 -0.523 734 HG LEU 34 HG LEU 34 -4.260 -2.987 -2.826 735 1HD1 LEU 34 3HD1 LEU 34 -6.673 -1.328 -3.621 736 2HD1 LEU 34 2HD1 LEU 34 -5.286 -1.614 -4.675 737 3HD1 LEU 34 1HD1 LEU 34 -6.288 -2.969 -4.155 738 1HD2 LEU 34 2HD2 LEU 34 -3.818 -0.906 -1.352 739 2HD2 LEU 34 1HD2 LEU 34 -3.432 -0.770 -3.071 740 3HD2 LEU 34 3HD2 LEU 34 -4.925 -0.068 -2.448 741 H TRP 35 H TRP 35 -4.450 -4.830 0.109 742 HA TRP 35 HA TRP 35 -2.566 -5.983 -1.741 743 1HB TRP 35 2HB TRP 35 -2.119 -5.117 0.558 744 2HB TRP 35 1HB TRP 35 -2.962 -6.520 1.214 745 HD1 TRP 35 HD1 TRP 35 -1.549 -8.632 1.531 746 HE1 TRP 35 HE1 TRP 35 0.725 -9.441 0.689 747 HE3 TRP 35 HE3 TRP 35 -0.434 -4.861 -1.681 748 HZ2 TRP 35 HZ2 TRP 35 2.785 -8.574 -1.102 749 HZ3 TRP 35 HZ3 TRP 35 1.686 -4.882 -2.950 750 HH2 TRP 35 HH2 TRP 35 3.284 -6.715 -2.659 751 H ASP 36 H ASP 36 -5.050 -7.429 0.418 752 HA ASP 36 HA ASP 36 -4.463 -10.175 -0.182 753 1HB ASP 36 2HB ASP 36 -5.784 -9.023 1.767 754 2HB ASP 36 1HB ASP 36 -7.161 -9.127 0.673 755 H ASP 37 H ASP 37 -6.898 -7.872 -1.474 756 HA ASP 37 HA ASP 37 -7.193 -9.688 -3.803 757 1HB ASP 37 2HB ASP 37 -9.512 -8.231 -2.502 758 2HB ASP 37 1HB ASP 37 -9.590 -9.505 -3.708 759 HA PRO 38 HA PRO 38 -6.383 -5.355 -5.228 760 1HB PRO 38 2HB PRO 38 -4.794 -6.050 -7.323 761 2HB PRO 38 1HB PRO 38 -4.192 -5.767 -5.684 762 1HG PRO 38 2HG PRO 38 -4.809 -8.357 -7.041 763 2HG PRO 38 1HG PRO 38 -3.429 -7.933 -6.015 764 1HD PRO 38 1HD PRO 38 -5.521 -9.354 -5.079 765 2HD PRO 38 2HD PRO 38 -4.621 -8.202 -4.059 766 H SER 39 H SER 39 -8.017 -8.121 -6.419 767 HA SER 39 HA SER 39 -8.703 -7.362 -9.110 768 1HB SER 39 2HB SER 39 -9.229 -9.457 -7.445 769 2HB SER 39 1HB SER 39 -10.753 -8.596 -7.331 770 HG SER 39 HG SER 39 -11.142 -8.966 -9.403 771 H GLN 40 H GLN 40 -9.904 -6.481 -5.894 772 HA GLN 40 HA GLN 40 -11.953 -4.593 -6.943 773 1HB GLN 40 2HB GLN 40 -11.116 -4.916 -4.056 774 2HB GLN 40 1HB GLN 40 -12.695 -4.484 -4.687 775 1HG GLN 40 2HG GLN 40 -11.390 -7.213 -4.721 776 2HG GLN 40 1HG GLN 40 -12.791 -6.721 -3.785 777 1HE2 GLN 40 1HE2 GLN 40 -12.342 -8.773 -6.109 778 2HE2 GLN 40 2HE2 GLN 40 -13.617 -8.432 -7.179 779 H SER 41 H SER 41 -8.711 -4.306 -6.910 780 HA SER 41 HA SER 41 -7.918 -2.219 -5.207 781 1HB SER 41 2HB SER 41 -6.411 -3.537 -6.483 782 2HB SER 41 1HB SER 41 -7.106 -2.978 -7.995 783 HG SER 41 HG SER 41 -6.050 -1.134 -7.806 784 H ALA 42 H ALA 42 -9.274 -1.925 -8.540 785 HA ALA 42 HA ALA 42 -9.193 0.956 -8.678 786 1HB ALA 42 1HB ALA 42 -11.052 -1.084 -9.967 787 2HB ALA 42 3HB ALA 42 -10.863 0.586 -10.500 788 3HB ALA 42 2HB ALA 42 -9.511 -0.538 -10.625 789 H ASN 43 H ASN 43 -11.697 -1.361 -7.613 790 HA ASN 43 HA ASN 43 -13.697 0.546 -6.870 791 1HB ASN 43 2HB ASN 43 -14.016 -1.905 -7.317 792 2HB ASN 43 1HB ASN 43 -13.177 -2.247 -5.805 793 1HD2 ASN 43 1HD2 ASN 43 -16.078 -0.528 -7.089 794 2HD2 ASN 43 2HD2 ASN 43 -16.979 -0.678 -5.660 795 H LEU 44 H LEU 44 -10.874 -0.824 -5.151 796 HA LEU 44 HA LEU 44 -11.587 0.001 -2.483 797 1HB LEU 44 2HB LEU 44 -9.230 -0.969 -3.995 798 2HB LEU 44 1HB LEU 44 -8.866 -0.087 -2.517 799 HG LEU 44 HG LEU 44 -11.054 -2.062 -2.300 800 1HD1 LEU 44 1HD1 LEU 44 -8.486 -2.800 -3.447 801 2HD1 LEU 44 3HD1 LEU 44 -8.735 -3.590 -1.885 802 3HD1 LEU 44 2HD1 LEU 44 -9.920 -3.803 -3.176 803 1HD2 LEU 44 2HD2 LEU 44 -8.741 -0.992 -0.696 804 2HD2 LEU 44 1HD2 LEU 44 -10.464 -1.042 -0.295 805 3HD2 LEU 44 3HD2 LEU 44 -9.496 -2.518 -0.218 806 H LEU 45 H LEU 45 -9.469 1.456 -4.876 807 HA LEU 45 HA LEU 45 -8.748 3.850 -3.557 808 1HB LEU 45 2HB LEU 45 -7.672 3.143 -5.597 809 2HB LEU 45 1HB LEU 45 -9.200 3.107 -6.465 810 HG LEU 45 HG LEU 45 -9.360 5.481 -6.494 811 1HD1 LEU 45 2HD1 LEU 45 -7.349 5.299 -4.283 812 2HD1 LEU 45 1HD1 LEU 45 -7.345 6.739 -5.308 813 3HD1 LEU 45 3HD1 LEU 45 -8.798 6.301 -4.413 814 1HD2 LEU 45 2HD2 LEU 45 -7.624 4.384 -7.998 815 2HD2 LEU 45 1HD2 LEU 45 -7.395 6.107 -7.711 816 3HD2 LEU 45 3HD2 LEU 45 -6.406 4.931 -6.848 817 H ALA 46 H ALA 46 -11.527 3.136 -5.683 818 HA ALA 46 HA ALA 46 -12.777 5.725 -5.525 819 1HB ALA 46 2HB ALA 46 -13.626 2.895 -6.138 820 2HB ALA 46 1HB ALA 46 -14.799 4.211 -6.174 821 3HB ALA 46 3HB ALA 46 -13.414 4.235 -7.267 822 H GLU 47 H GLU 47 -13.204 2.681 -3.687 823 HA GLU 47 HA GLU 47 -15.303 3.441 -1.939 824 1HB GLU 47 2HB GLU 47 -14.146 1.152 -2.407 825 2HB GLU 47 1HB GLU 47 -12.969 1.650 -1.193 826 1HG GLU 47 2HG GLU 47 -14.648 0.363 -0.047 827 2HG GLU 47 1HG GLU 47 -14.927 2.048 0.381 828 H ALA 48 H ALA 48 -11.799 3.965 -1.804 829 HA ALA 48 HA ALA 48 -11.623 4.989 0.894 830 1HB ALA 48 1HB ALA 48 -9.484 4.603 0.185 831 2HB ALA 48 2HB ALA 48 -9.568 6.167 -0.627 832 3HB ALA 48 3HB ALA 48 -9.954 4.672 -1.518 833 H LYS 49 H LYS 49 -11.851 6.597 -2.308 834 HA LYS 49 HA LYS 49 -12.041 9.311 -1.364 835 1HB LYS 49 2HB LYS 49 -13.069 7.921 -3.867 836 2HB LYS 49 1HB LYS 49 -12.987 9.671 -3.673 837 1HG LYS 49 2HG LYS 49 -10.532 9.504 -3.314 838 2HG LYS 49 1HG LYS 49 -10.626 7.761 -3.563 839 1HD LYS 49 2HD LYS 49 -11.657 8.252 -5.835 840 2HD LYS 49 1HD LYS 49 -11.230 9.943 -5.572 841 1HE LYS 49 2HE LYS 49 -8.832 8.882 -5.024 842 2HE LYS 49 1HE LYS 49 -9.439 7.597 -6.085 843 1HZ LYS 49 1HZ LYS 49 -10.020 9.280 -7.733 844 2HZ LYS 49 3HZ LYS 49 -9.411 10.505 -6.727 845 3HZ LYS 49 2HZ LYS 49 -8.360 9.337 -7.374 846 H LYS 50 H LYS 50 -14.570 6.891 -2.177 847 HA LYS 50 HA LYS 50 -16.873 8.545 -1.691 848 1HB LYS 50 2HB LYS 50 -16.336 5.560 -1.566 849 2HB LYS 50 1HB LYS 50 -17.952 6.238 -1.371 850 1HG LYS 50 2HG LYS 50 -18.015 7.059 -3.577 851 2HG LYS 50 1HG LYS 50 -16.262 6.990 -3.753 852 1HD LYS 50 2HD LYS 50 -17.158 5.155 -5.022 853 2HD LYS 50 1HD LYS 50 -16.442 4.466 -3.568 854 1HE LYS 50 2HE LYS 50 -19.208 5.164 -3.041 855 2HE LYS 50 1HE LYS 50 -19.108 4.126 -4.475 856 1HZ LYS 50 2HZ LYS 50 -17.673 2.610 -3.246 857 2HZ LYS 50 1HZ LYS 50 -17.772 3.597 -1.865 858 3HZ LYS 50 3HZ LYS 50 -19.154 2.802 -2.440 859 H LEU 51 H LEU 51 -15.039 6.354 0.474 860 HA LEU 51 HA LEU 51 -16.688 6.751 2.813 861 1HB LEU 51 2HB LEU 51 -15.217 4.814 2.434 862 2HB LEU 51 1HB LEU 51 -13.800 5.860 2.451 863 HG LEU 51 HG LEU 51 -14.085 6.347 4.787 864 1HD1 LEU 51 2HD1 LEU 51 -16.839 5.265 4.335 865 2HD1 LEU 51 1HD1 LEU 51 -16.114 5.017 5.923 866 3HD1 LEU 51 3HD1 LEU 51 -16.321 6.654 5.296 867 1HD2 LEU 51 2HD2 LEU 51 -14.569 3.430 4.135 868 2HD2 LEU 51 1HD2 LEU 51 -13.024 4.223 4.448 869 3HD2 LEU 51 3HD2 LEU 51 -14.181 3.994 5.759 870 H ASN 52 H ASN 52 -13.799 8.452 1.559 871 HA ASN 52 HA ASN 52 -13.172 10.053 3.830 872 1HB ASN 52 2HB ASN 52 -11.634 10.845 2.364 873 2HB ASN 52 1HB ASN 52 -12.262 9.657 1.252 874 1HD2 ASN 52 1HD2 ASN 52 -10.970 12.263 0.607 875 2HD2 ASN 52 2HD2 ASN 52 -12.112 13.164 -0.264 876 H ASP 53 H ASP 53 -15.725 10.385 1.382 877 HA ASP 53 HA ASP 53 -16.495 13.082 1.921 878 1HB ASP 53 2HB ASP 53 -17.043 11.557 -0.057 879 2HB ASP 53 1HB ASP 53 -18.265 10.809 0.972 880 H ALA 54 H ALA 54 -17.425 9.974 3.399 881 HA ALA 54 HA ALA 54 -19.736 10.859 4.866 882 1HB ALA 54 1HB ALA 54 -18.749 8.510 4.301 883 2HB ALA 54 3HB ALA 54 -17.804 8.728 5.774 884 3HB ALA 54 2HB ALA 54 -19.567 8.722 5.850 885 H GLN 55 H GLN 55 -16.261 10.909 5.616 886 HA GLN 55 HA GLN 55 -16.650 11.883 8.372 887 1HB GLN 55 2HB GLN 55 -14.319 11.310 6.528 888 2HB GLN 55 1HB GLN 55 -14.084 11.925 8.153 889 1HG GLN 55 2HG GLN 55 -15.153 9.990 9.130 890 2HG GLN 55 1HG GLN 55 -15.656 9.409 7.538 891 1HE2 GLN 55 1HE2 GLN 55 -13.484 9.544 5.971 892 2HE2 GLN 55 2HE2 GLN 55 -12.185 8.657 6.619 893 H ALA 56 H ALA 56 -15.645 13.173 5.194 894 HA ALA 56 HA ALA 56 -16.089 15.962 6.156 895 1HB ALA 56 3HB ALA 56 -13.822 15.942 6.534 896 2HB ALA 56 1HB ALA 56 -13.760 16.223 4.792 897 3HB ALA 56 2HB ALA 56 -13.563 14.589 5.430 898 HA PRO 57 HA PRO 57 -17.677 16.337 2.011 899 1HB PRO 57 2HB PRO 57 -17.382 19.021 1.573 900 2HB PRO 57 1HB PRO 57 -18.628 18.348 2.645 901 1HG PRO 57 2HG PRO 57 -16.004 19.568 3.325 902 2HG PRO 57 1HG PRO 57 -17.568 19.732 4.139 903 1HD PRO 57 1HD PRO 57 -15.568 18.114 5.038 904 2HD PRO 57 2HD PRO 57 -17.292 17.794 5.334 905 H LYS 58 H LYS 58 -16.839 16.265 -0.100 906 HA LYS 58 HA LYS 58 -13.946 16.194 -0.451 907 1HB LYS 58 2HB LYS 58 -16.331 15.985 -2.310 908 2HB LYS 58 1HB LYS 58 -14.672 15.840 -2.888 909 1HG LYS 58 2HG LYS 58 -14.302 13.969 -1.289 910 2HG LYS 58 1HG LYS 58 -15.986 14.089 -0.786 911 1HD LYS 58 2HD LYS 58 -16.660 13.708 -3.181 912 2HD LYS 58 1HD LYS 58 -14.965 13.411 -3.559 913 1HE LYS 58 2HE LYS 58 -15.224 11.253 -2.915 914 2HE LYS 58 1HE LYS 58 -15.624 11.805 -1.281 915 1HZ LYS 58 1HZ LYS 58 -17.913 12.255 -2.106 916 2HZ LYS 58 3HZ LYS 58 -17.495 11.506 -3.571 917 3HZ LYS 58 2HZ LYS 58 -17.493 10.611 -2.129 No H/Q in entry = 917 Start of MODEL 30 1 H1 VAL 1 1H VAL 1 4.015 -23.621 9.588 2 H2 VAL 1 3H VAL 1 4.289 -24.896 8.502 3 H3 VAL 1 2H VAL 1 4.097 -23.316 7.921 4 HA VAL 1 HA VAL 1 2.042 -24.362 7.484 5 HB VAL 1 HB VAL 1 0.873 -25.547 9.446 6 1HG1 VAL 1 1HG1 VAL 1 2.154 -26.647 7.525 7 2HG1 VAL 1 3HG1 VAL 1 3.489 -26.837 8.662 8 3HG1 VAL 1 2HG1 VAL 1 1.941 -27.614 8.985 9 1HG2 VAL 1 1HG2 VAL 1 2.479 -24.494 11.167 10 2HG2 VAL 1 3HG2 VAL 1 2.129 -26.214 11.354 11 3HG2 VAL 1 2HG2 VAL 1 3.655 -25.697 10.635 12 H ASP 2 H ASP 2 2.424 -21.776 7.739 13 HA ASP 2 HA ASP 2 0.101 -20.785 9.280 14 1HB ASP 2 2HB ASP 2 1.491 -19.147 10.520 15 2HB ASP 2 1HB ASP 2 1.976 -20.798 10.893 16 H ASN 3 H ASN 3 -0.143 -18.314 8.863 17 HA ASN 3 HA ASN 3 0.695 -17.693 6.046 18 1HB ASN 3 2HB ASN 3 -1.454 -16.596 5.812 19 2HB ASN 3 1HB ASN 3 -1.735 -18.187 6.507 20 1HD2 ASN 3 1HD2 ASN 3 -2.684 -15.000 6.840 21 2HD2 ASN 3 2HD2 ASN 3 -3.125 -15.014 8.478 22 H LYS 4 H LYS 4 2.430 -16.983 8.217 23 HA LYS 4 HA LYS 4 2.089 -14.360 9.280 24 1HB LYS 4 2HB LYS 4 4.535 -14.446 9.621 25 2HB LYS 4 1HB LYS 4 3.790 -15.986 10.035 26 1HG LYS 4 2HG LYS 4 4.414 -16.811 7.727 27 2HG LYS 4 1HG LYS 4 5.308 -15.310 7.497 28 1HD LYS 4 2HD LYS 4 6.746 -15.812 9.390 29 2HD LYS 4 1HD LYS 4 5.806 -17.256 9.766 30 1HE LYS 4 2HE LYS 4 6.891 -17.055 6.989 31 2HE LYS 4 1HE LYS 4 8.055 -17.381 8.285 32 1HZ LYS 4 3HZ LYS 4 5.510 -18.867 7.851 33 2HZ LYS 4 2HZ LYS 4 7.056 -19.436 7.436 34 3HZ LYS 4 1HZ LYS 4 6.651 -19.185 9.068 35 H PHE 5 H PHE 5 3.539 -15.355 6.150 36 HA PHE 5 HA PHE 5 4.436 -12.763 5.360 37 1HB PHE 5 2HB PHE 5 3.698 -15.253 3.810 38 2HB PHE 5 1HB PHE 5 4.444 -13.844 3.068 39 HD1 PHE 5 HD1 PHE 5 6.088 -13.362 5.862 40 HD2 PHE 5 HD2 PHE 5 5.673 -16.586 3.047 41 HE1 PHE 5 HE1 PHE 5 8.321 -14.208 6.501 42 HE2 PHE 5 HE2 PHE 5 7.907 -17.432 3.698 43 HZ PHE 5 HZ PHE 5 9.231 -16.244 5.425 44 H ASN 6 H ASN 6 1.257 -14.339 5.080 45 HA ASN 6 HA ASN 6 0.019 -12.790 3.077 46 1HB ASN 6 2HB ASN 6 -0.951 -14.742 4.295 47 2HB ASN 6 1HB ASN 6 -1.161 -13.724 5.719 48 1HD2 ASN 6 1HD2 ASN 6 -2.143 -13.912 2.242 49 2HD2 ASN 6 2HD2 ASN 6 -3.626 -13.117 2.473 50 H LYS 7 H LYS 7 0.252 -11.972 6.607 51 HA LYS 7 HA LYS 7 -0.770 -9.264 5.990 52 1HB LYS 7 2HB LYS 7 -1.557 -10.598 7.955 53 2HB LYS 7 1HB LYS 7 0.051 -10.366 8.673 54 1HG LYS 7 2HG LYS 7 -0.636 -7.824 7.881 55 2HG LYS 7 1HG LYS 7 -2.197 -8.484 8.355 56 1HD LYS 7 2HD LYS 7 0.264 -8.687 10.091 57 2HD LYS 7 1HD LYS 7 -0.870 -7.339 10.188 58 1HE LYS 7 2HE LYS 7 -2.171 -8.583 11.570 59 2HE LYS 7 1HE LYS 7 -2.439 -9.724 10.241 60 1HZ LYS 7 2HZ LYS 7 -0.090 -9.729 12.074 61 2HZ LYS 7 1HZ LYS 7 -1.391 -10.818 12.139 62 3HZ LYS 7 3HZ LYS 7 -0.353 -10.821 10.798 63 H GLU 8 H GLU 8 2.365 -10.792 6.423 64 HA GLU 8 HA GLU 8 3.837 -8.448 7.328 65 1HB GLU 8 2HB GLU 8 4.485 -11.044 5.944 66 2HB GLU 8 1HB GLU 8 5.680 -9.748 5.947 67 1HG GLU 8 2HG GLU 8 5.752 -9.681 8.320 68 2HG GLU 8 1HG GLU 8 4.354 -10.761 8.466 69 H GLN 9 H GLN 9 3.034 -9.892 4.178 70 HA GLN 9 HA GLN 9 4.191 -7.891 2.496 71 1HB GLN 9 2HB GLN 9 1.846 -9.788 2.158 72 2HB GLN 9 1HB GLN 9 2.546 -8.851 0.844 73 1HG GLN 9 2HG GLN 9 4.632 -10.027 1.007 74 2HG GLN 9 1HG GLN 9 4.128 -10.829 2.498 75 1HE2 GLN 9 1HE2 GLN 9 3.617 -10.759 -1.028 76 2HE2 GLN 9 2HE2 GLN 9 2.758 -12.220 -1.098 77 H GLN 10 H GLN 10 1.013 -8.343 4.026 78 HA GLN 10 HA GLN 10 -0.409 -6.082 2.955 79 1HB GLN 10 2HB GLN 10 -0.806 -8.226 4.689 80 2HB GLN 10 1HB GLN 10 -1.018 -6.819 5.705 81 1HG GLN 10 2HG GLN 10 -3.077 -6.577 4.848 82 2HG GLN 10 1HG GLN 10 -2.353 -6.244 3.299 83 1HE2 GLN 10 1HE2 GLN 10 -2.737 -9.277 5.272 84 2HE2 GLN 10 2HE2 GLN 10 -3.441 -10.170 4.012 85 H ASN 11 H ASN 11 1.577 -6.454 5.898 86 HA ASN 11 HA ASN 11 1.265 -3.708 6.788 87 1HB ASN 11 2HB ASN 11 1.927 -5.845 8.103 88 2HB ASN 11 1HB ASN 11 3.545 -5.607 7.436 89 1HD2 ASN 11 1HD2 ASN 11 4.880 -4.091 8.495 90 2HD2 ASN 11 2HD2 ASN 11 4.343 -3.026 9.702 91 H ALA 12 H ALA 12 3.871 -5.498 5.078 92 HA ALA 12 HA ALA 12 5.700 -3.308 4.794 93 1HB ALA 12 2HB ALA 12 5.183 -5.935 3.411 94 2HB ALA 12 3HB ALA 12 6.595 -5.429 4.349 95 3HB ALA 12 1HB ALA 12 6.349 -4.798 2.718 96 H PHE 13 H PHE 13 3.099 -4.551 2.691 97 HA PHE 13 HA PHE 13 3.343 -2.752 0.481 98 1HB PHE 13 2HB PHE 13 1.879 -4.699 0.393 99 2HB PHE 13 1HB PHE 13 1.009 -4.183 1.827 100 HD1 PHE 13 HD1 PHE 13 -1.157 -3.523 1.319 101 HD2 PHE 13 HD2 PHE 13 2.033 -2.485 -1.328 102 HE1 PHE 13 HE1 PHE 13 -2.766 -2.386 -0.161 103 HE2 PHE 13 HE2 PHE 13 0.434 -1.349 -2.811 104 HZ PHE 13 HZ PHE 13 -1.966 -1.303 -2.226 105 H TYR 14 H TYR 14 1.213 -2.655 3.313 106 HA TYR 14 HA TYR 14 0.028 -0.136 3.103 107 1HB TYR 14 2HB TYR 14 -0.489 -1.937 4.672 108 2HB TYR 14 1HB TYR 14 1.041 -1.679 5.505 109 HD1 TYR 14 HD1 TYR 14 -2.165 -0.024 4.582 110 HD2 TYR 14 HD2 TYR 14 1.247 -0.057 7.176 111 HE1 TYR 14 HE1 TYR 14 -3.243 1.627 5.982 112 HE2 TYR 14 HE2 TYR 14 0.181 1.661 8.599 113 HH TYR 14 HH TYR 14 -1.698 3.545 8.097 114 H GLU 15 H GLU 15 3.027 -0.937 4.938 115 HA GLU 15 HA GLU 15 3.728 1.740 5.644 116 1HB GLU 15 2HB GLU 15 5.334 -0.805 5.282 117 2HB GLU 15 1HB GLU 15 6.001 0.668 5.982 118 1HG GLU 15 2HG GLU 15 3.604 -0.867 7.065 119 2HG GLU 15 1HG GLU 15 5.224 -0.893 7.749 120 H ILE 16 H ILE 16 4.772 -0.268 2.793 121 HA ILE 16 HA ILE 16 6.575 1.589 1.591 122 HB ILE 16 HB ILE 16 4.784 -0.643 0.695 123 1HG1 ILE 16 2HG1 ILE 16 7.520 -0.379 -0.354 124 2HG1 ILE 16 1HG1 ILE 16 7.437 -0.334 1.403 125 1HG2 ILE 16 2HG2 ILE 16 6.005 1.302 -1.281 126 2HG2 ILE 16 1HG2 ILE 16 5.463 -0.325 -1.706 127 3HG2 ILE 16 3HG2 ILE 16 4.302 0.872 -1.126 128 1HD1 ILE 16 3HD1 ILE 16 5.768 -2.406 0.106 129 2HD1 ILE 16 2HD1 ILE 16 7.532 -2.632 -0.028 130 3HD1 ILE 16 1HD1 ILE 16 6.775 -2.496 1.559 131 H LEU 17 H LEU 17 3.035 1.366 1.297 132 HA LEU 17 HA LEU 17 2.658 3.673 -0.431 133 1HB LEU 17 2HB LEU 17 0.834 2.283 1.560 134 2HB LEU 17 1HB LEU 17 0.293 3.433 0.341 135 HG LEU 17 HG LEU 17 1.957 1.274 -0.739 136 1HD1 LEU 17 3HD1 LEU 17 0.117 0.482 1.181 137 2HD1 LEU 17 2HD1 LEU 17 -0.763 0.348 -0.356 138 3HD1 LEU 17 1HD1 LEU 17 0.756 -0.507 -0.129 139 1HD2 LEU 17 2HD2 LEU 17 0.337 3.069 -1.837 140 2HD2 LEU 17 1HD2 LEU 17 0.523 1.425 -2.510 141 3HD2 LEU 17 3HD2 LEU 17 -0.862 1.787 -1.461 142 H HIS 18 H HIS 18 2.479 3.269 3.143 143 HA HIS 18 HA HIS 18 1.686 6.013 3.654 144 1HB HIS 18 2HB HIS 18 2.713 3.713 5.329 145 2HB HIS 18 1HB HIS 18 2.435 5.297 6.040 146 HD1 HIS 18 HD1 HIS 18 -0.102 6.239 5.897 147 HD2 HIS 18 HD2 HIS 18 0.359 2.200 4.977 148 HE1 HIS 18 HE1 HIS 18 -2.410 5.105 5.907 149 H LEU 19 H LEU 19 4.842 4.562 3.051 150 HA LEU 19 HA LEU 19 6.561 6.163 4.625 151 1HB LEU 19 2HB LEU 19 6.793 4.778 1.961 152 2HB LEU 19 1HB LEU 19 8.134 5.766 2.537 153 HG LEU 19 HG LEU 19 6.874 3.463 4.066 154 1HD1 LEU 19 3HD1 LEU 19 9.374 3.703 2.405 155 2HD1 LEU 19 2HD1 LEU 19 9.250 2.504 3.695 156 3HD1 LEU 19 1HD1 LEU 19 8.124 2.463 2.336 157 1HD2 LEU 19 3HD2 LEU 19 8.434 5.657 4.979 158 2HD2 LEU 19 2HD2 LEU 19 7.944 4.225 5.882 159 3HD2 LEU 19 1HD2 LEU 19 9.472 4.234 5.005 160 HA PRO 20 HA PRO 20 5.781 10.212 3.018 161 1HB PRO 20 2HB PRO 20 7.863 11.510 4.226 162 2HB PRO 20 1HB PRO 20 6.389 11.007 5.077 163 1HG PRO 20 2HG PRO 20 9.064 9.710 5.002 164 2HG PRO 20 1HG PRO 20 7.944 9.909 6.359 165 1HD PRO 20 1HD PRO 20 8.218 7.583 4.986 166 2HD PRO 20 2HD PRO 20 6.705 8.073 5.779 167 H ASN 21 H ASN 21 8.918 8.602 2.403 168 HA ASN 21 HA ASN 21 9.393 10.629 0.240 169 1HB ASN 21 2HB ASN 21 11.249 9.037 2.005 170 2HB ASN 21 1HB ASN 21 11.820 9.884 0.570 171 1HD2 ASN 21 1HD2 ASN 21 10.992 10.290 3.904 172 2HD2 ASN 21 2HD2 ASN 21 11.069 11.983 3.937 173 H LEU 22 H LEU 22 7.913 7.829 0.257 174 HA LEU 22 HA LEU 22 9.527 6.488 -1.862 175 1HB LEU 22 2HB LEU 22 7.229 5.722 -0.072 176 2HB LEU 22 1HB LEU 22 7.430 4.864 -1.593 177 HG LEU 22 HG LEU 22 9.097 4.765 0.877 178 1HD1 LEU 22 3HD1 LEU 22 8.347 2.882 -1.367 179 2HD1 LEU 22 2HD1 LEU 22 9.432 2.422 -0.047 180 3HD1 LEU 22 1HD1 LEU 22 7.755 2.860 0.297 181 1HD2 LEU 22 3HD2 LEU 22 10.279 4.590 -1.913 182 2HD2 LEU 22 2HD2 LEU 22 10.782 5.675 -0.602 183 3HD2 LEU 22 1HD2 LEU 22 11.062 3.933 -0.472 184 H ASN 23 H ASN 23 8.953 6.639 -3.967 185 HA ASN 23 HA ASN 23 6.466 8.187 -4.612 186 1HB ASN 23 2HB ASN 23 7.613 8.823 -6.673 187 2HB ASN 23 1HB ASN 23 8.619 9.183 -5.297 188 1HD2 ASN 23 1HD2 ASN 23 9.594 8.783 -8.035 189 2HD2 ASN 23 2HD2 ASN 23 10.621 7.433 -8.005 190 H GLU 24 H GLU 24 5.944 7.608 -7.112 191 HA GLU 24 HA GLU 24 4.626 5.064 -7.069 192 1HB GLU 24 2HB GLU 24 4.182 7.174 -8.471 193 2HB GLU 24 1HB GLU 24 5.469 6.617 -9.539 194 1HG GLU 24 2HG GLU 24 4.022 5.242 -10.574 195 2HG GLU 24 1HG GLU 24 3.728 4.403 -9.055 196 H GLU 25 H GLU 25 7.859 5.977 -8.285 197 HA GLU 25 HA GLU 25 8.385 3.505 -9.717 198 1HB GLU 25 2HB GLU 25 9.547 5.701 -10.028 199 2HB GLU 25 1HB GLU 25 10.279 5.507 -8.437 200 1HG GLU 25 2HG GLU 25 11.264 3.323 -9.252 201 2HG GLU 25 1HG GLU 25 10.694 3.744 -10.866 202 H GLN 26 H GLN 26 9.491 4.676 -6.486 203 HA GLN 26 HA GLN 26 10.727 2.156 -5.712 204 1HB GLN 26 2HB GLN 26 9.829 4.590 -4.139 205 2HB GLN 26 1HB GLN 26 10.827 3.297 -3.481 206 1HG GLN 26 2HG GLN 26 11.656 4.754 -5.994 207 2HG GLN 26 1HG GLN 26 12.016 5.423 -4.407 208 1HE2 GLN 26 1HE2 GLN 26 14.266 5.030 -4.230 209 2HE2 GLN 26 2HE2 GLN 26 14.970 3.493 -4.372 210 H ARG 27 H ARG 27 7.679 3.728 -4.679 211 HA ARG 27 HA ARG 27 6.783 1.698 -2.896 212 1HB ARG 27 2HB ARG 27 5.842 3.924 -2.961 213 2HB ARG 27 1HB ARG 27 5.372 3.741 -4.644 214 1HG ARG 27 2HG ARG 27 4.035 1.647 -3.528 215 2HG ARG 27 1HG ARG 27 4.006 2.803 -2.201 216 1HD ARG 27 2HD ARG 27 3.003 3.242 -5.034 217 2HD ARG 27 1HD ARG 27 2.041 3.238 -3.545 218 HE ARG 27 HE ARG 27 3.626 5.206 -2.865 219 1HH1 ARG 27 1HH1 ARG 27 1.928 4.768 -5.850 220 2HH1 ARG 27 2HH1 ARG 27 2.414 6.293 -6.500 221 1HH2 ARG 27 1HH2 ARG 27 4.487 7.106 -3.832 222 2HH2 ARG 27 2HH2 ARG 27 3.852 7.618 -5.360 223 H ASN 28 H ASN 28 5.901 2.160 -6.411 224 HA ASN 28 HA ASN 28 4.167 -0.132 -6.580 225 1HB ASN 28 2HB ASN 28 4.269 1.807 -8.142 226 2HB ASN 28 1HB ASN 28 5.805 1.222 -8.715 227 1HD2 ASN 28 1HD2 ASN 28 4.755 1.025 -10.884 228 2HD2 ASN 28 2HD2 ASN 28 3.783 -0.324 -11.220 229 H ALA 29 H ALA 29 7.645 0.289 -7.348 230 HA ALA 29 HA ALA 29 8.193 -2.335 -8.357 231 1HB ALA 29 3HB ALA 29 9.632 -0.204 -8.198 232 2HB ALA 29 1HB ALA 29 10.449 -1.742 -7.913 233 3HB ALA 29 2HB ALA 29 9.986 -0.725 -6.547 234 H PHE 30 H PHE 30 8.036 -1.012 -5.068 235 HA PHE 30 HA PHE 30 8.856 -3.368 -3.643 236 1HB PHE 30 2HB PHE 30 7.323 -0.842 -3.054 237 2HB PHE 30 1HB PHE 30 7.457 -2.101 -1.828 238 HD1 PHE 30 HD1 PHE 30 10.288 -3.031 -2.983 239 HD2 PHE 30 HD2 PHE 30 8.667 0.722 -1.680 240 HE1 PHE 30 HE1 PHE 30 12.526 -2.288 -2.371 241 HE2 PHE 30 HE2 PHE 30 10.936 1.461 -1.050 242 HZ PHE 30 HZ PHE 30 12.858 -0.091 -1.395 243 H ILE 31 H ILE 31 5.697 -2.055 -4.526 244 HA ILE 31 HA ILE 31 4.149 -4.202 -3.387 245 HB ILE 31 HB ILE 31 3.629 -2.176 -5.588 246 1HG1 ILE 31 2HG1 ILE 31 2.674 -2.208 -2.749 247 2HG1 ILE 31 1HG1 ILE 31 4.210 -1.486 -3.165 248 1HG2 ILE 31 2HG2 ILE 31 2.110 -4.448 -4.807 249 2HG2 ILE 31 1HG2 ILE 31 1.304 -2.993 -4.225 250 3HG2 ILE 31 3HG2 ILE 31 1.674 -3.170 -5.933 251 1HD1 ILE 31 1HD1 ILE 31 1.564 -0.743 -4.416 252 2HD1 ILE 31 3HD1 ILE 31 2.344 0.141 -3.088 253 3HD1 ILE 31 2HD1 ILE 31 3.134 0.055 -4.664 254 H GLN 32 H GLN 32 5.946 -3.846 -6.456 255 HA GLN 32 HA GLN 32 4.744 -6.192 -7.745 256 1HB GLN 32 2HB GLN 32 7.219 -4.487 -8.190 257 2HB GLN 32 1HB GLN 32 6.823 -5.858 -9.228 258 1HG GLN 32 2HG GLN 32 4.723 -4.864 -9.868 259 2HG GLN 32 1HG GLN 32 4.898 -3.579 -8.676 260 1HE2 GLN 32 1HE2 GLN 32 6.067 -4.755 -11.825 261 2HE2 GLN 32 2HE2 GLN 32 6.868 -3.322 -12.251 262 H SER 33 H SER 33 7.872 -5.558 -6.063 263 HA SER 33 HA SER 33 8.817 -8.292 -6.037 264 1HB SER 33 2HB SER 33 10.324 -7.341 -4.241 265 2HB SER 33 1HB SER 33 10.345 -6.473 -5.772 266 HG SER 33 HG SER 33 9.920 -4.839 -4.500 267 H LEU 34 H LEU 34 6.690 -6.455 -3.939 268 HA LEU 34 HA LEU 34 6.668 -8.355 -1.718 269 1HB LEU 34 2HB LEU 34 6.420 -5.862 -1.627 270 2HB LEU 34 1HB LEU 34 4.882 -6.013 -2.458 271 HG LEU 34 HG LEU 34 4.209 -7.564 -0.502 272 1HD1 LEU 34 1HD1 LEU 34 6.716 -6.261 0.531 273 2HD1 LEU 34 3HD1 LEU 34 5.438 -6.825 1.608 274 3HD1 LEU 34 2HD1 LEU 34 6.275 -7.968 0.555 275 1HD2 LEU 34 2HD2 LEU 34 3.847 -4.918 -0.981 276 2HD2 LEU 34 1HD2 LEU 34 3.179 -5.757 0.413 277 3HD2 LEU 34 3HD2 LEU 34 4.674 -4.844 0.574 278 H LYS 35 H LYS 35 4.317 -7.460 -4.331 279 HA LYS 35 HA LYS 35 2.286 -9.358 -3.543 280 1HB LYS 35 2HB LYS 35 2.857 -7.616 -5.919 281 2HB LYS 35 1HB LYS 35 1.708 -8.904 -6.146 282 1HG LYS 35 2HG LYS 35 0.984 -7.798 -3.715 283 2HG LYS 35 1HG LYS 35 1.358 -6.421 -4.749 284 1HD LYS 35 2HD LYS 35 -0.388 -6.850 -6.167 285 2HD LYS 35 1HD LYS 35 -0.245 -8.598 -5.984 286 1HE LYS 35 2HE LYS 35 -1.037 -7.214 -3.496 287 2HE LYS 35 1HE LYS 35 -2.222 -7.083 -4.804 288 1HZ LYS 35 1HZ LYS 35 -2.079 -9.482 -5.134 289 2HZ LYS 35 3HZ LYS 35 -0.945 -9.607 -3.874 290 3HZ LYS 35 2HZ LYS 35 -2.540 -9.128 -3.536 291 H ASP 36 H ASP 36 5.126 -9.635 -5.669 292 HA ASP 36 HA ASP 36 4.355 -12.357 -6.548 293 1HB ASP 36 2HB ASP 36 6.647 -10.457 -7.104 294 2HB ASP 36 1HB ASP 36 6.636 -12.108 -7.726 295 H ASP 37 H ASP 37 6.758 -10.861 -4.310 296 HA ASP 37 HA ASP 37 7.555 -13.632 -3.452 297 1HB ASP 37 2HB ASP 37 9.226 -11.968 -4.547 298 2HB ASP 37 1HB ASP 37 9.177 -11.127 -2.998 299 HA PRO 38 HA PRO 38 5.356 -12.167 0.252 300 1HB PRO 38 2HB PRO 38 5.092 -14.645 1.376 301 2HB PRO 38 1HB PRO 38 4.029 -14.044 0.086 302 1HG PRO 38 2HG PRO 38 6.378 -15.862 -0.113 303 2HG PRO 38 1HG PRO 38 4.793 -15.975 -0.897 304 1HD PRO 38 1HD PRO 38 6.972 -15.044 -2.178 305 2HD PRO 38 2HD PRO 38 5.331 -14.446 -2.511 306 H SER 39 H SER 39 8.109 -14.477 0.302 307 HA SER 39 HA SER 39 8.782 -14.183 3.077 308 1HB SER 39 2HB SER 39 10.484 -14.915 0.674 309 2HB SER 39 1HB SER 39 10.927 -15.212 2.352 310 HG SER 39 HG SER 39 9.172 -16.545 0.713 311 H GLN 40 H GLN 40 9.879 -12.283 0.239 312 HA GLN 40 HA GLN 40 11.851 -10.800 1.842 313 1HB GLN 40 2HB GLN 40 11.708 -11.426 -0.753 314 2HB GLN 40 1HB GLN 40 10.851 -9.885 -0.836 315 1HG GLN 40 2HG GLN 40 13.078 -9.241 -1.163 316 2HG GLN 40 1HG GLN 40 12.857 -8.968 0.565 317 1HE2 GLN 40 1HE2 GLN 40 14.091 -10.288 2.034 318 2HE2 GLN 40 2HE2 GLN 40 15.210 -11.447 1.508 319 H SER 41 H SER 41 8.503 -10.609 1.871 320 HA SER 41 HA SER 41 7.856 -7.918 1.402 321 1HB SER 41 2HB SER 41 5.918 -8.398 2.872 322 2HB SER 41 1HB SER 41 6.263 -9.770 1.827 323 HG SER 41 HG SER 41 6.683 -10.917 3.540 324 H ALA 42 H ALA 42 8.893 -9.276 4.639 325 HA ALA 42 HA ALA 42 8.773 -6.755 6.023 326 1HB ALA 42 1HB ALA 42 10.693 -9.064 6.306 327 2HB ALA 42 2HB ALA 42 9.126 -8.919 7.115 328 3HB ALA 42 3HB ALA 42 10.437 -7.801 7.506 329 H ASN 43 H ASN 43 11.501 -8.333 4.301 330 HA ASN 43 HA ASN 43 13.495 -6.320 4.621 331 1HB ASN 43 2HB ASN 43 12.916 -8.617 2.886 332 2HB ASN 43 1HB ASN 43 13.830 -7.343 2.067 333 1HD2 ASN 43 1HD2 ASN 43 13.933 -8.621 5.475 334 2HD2 ASN 43 2HD2 ASN 43 15.604 -8.914 5.457 335 H LEU 44 H LEU 44 10.862 -6.738 2.266 336 HA LEU 44 HA LEU 44 11.521 -4.576 0.512 337 1HB LEU 44 2HB LEU 44 9.036 -6.097 1.212 338 2HB LEU 44 1HB LEU 44 8.976 -4.747 0.075 339 HG LEU 44 HG LEU 44 10.861 -7.095 -0.129 340 1HD1 LEU 44 2HD1 LEU 44 8.193 -7.144 -0.540 341 2HD1 LEU 44 1HD1 LEU 44 8.746 -6.621 -2.133 342 3HD1 LEU 44 3HD1 LEU 44 9.338 -8.138 -1.447 343 1HD2 LEU 44 3HD2 LEU 44 10.763 -4.431 -1.294 344 2HD2 LEU 44 2HD2 LEU 44 11.990 -5.702 -1.458 345 3HD2 LEU 44 1HD2 LEU 44 10.595 -5.692 -2.555 346 H LEU 45 H LEU 45 9.479 -4.755 3.430 347 HA LEU 45 HA LEU 45 8.811 -1.926 3.253 348 1HB LEU 45 2HB LEU 45 7.445 -3.289 4.598 349 2HB LEU 45 1HB LEU 45 8.813 -3.985 5.457 350 HG LEU 45 HG LEU 45 9.243 -1.909 6.600 351 1HD1 LEU 45 2HD1 LEU 45 7.118 -0.740 4.775 352 2HD1 LEU 45 1HD1 LEU 45 7.810 0.110 6.158 353 3HD1 LEU 45 3HD1 LEU 45 8.831 -0.328 4.785 354 1HD2 LEU 45 2HD2 LEU 45 7.376 -3.358 7.417 355 2HD2 LEU 45 1HD2 LEU 45 7.193 -1.663 7.869 356 3HD2 LEU 45 3HD2 LEU 45 6.246 -2.332 6.538 357 H ALA 46 H ALA 46 11.312 -3.806 5.079 358 HA ALA 46 HA ALA 46 12.681 -1.644 6.336 359 1HB ALA 46 1HB ALA 46 13.432 -4.311 5.130 360 2HB ALA 46 3HB ALA 46 14.723 -3.230 5.674 361 3HB ALA 46 2HB ALA 46 13.499 -3.793 6.826 362 H GLU 47 H GLU 47 13.212 -2.922 2.982 363 HA GLU 47 HA GLU 47 15.269 -0.975 2.414 364 1HB GLU 47 2HB GLU 47 15.000 -1.753 0.065 365 2HB GLU 47 1HB GLU 47 15.221 -3.071 1.204 366 1HG GLU 47 2HG GLU 47 12.694 -3.254 1.198 367 2HG GLU 47 1HG GLU 47 12.750 -2.209 -0.219 368 H ALA 48 H ALA 48 11.701 -1.072 1.983 369 HA ALA 48 HA ALA 48 11.512 1.436 0.566 370 1HB ALA 48 3HB ALA 48 9.852 -0.486 0.984 371 2HB ALA 48 2HB ALA 48 9.589 0.247 2.572 372 3HB ALA 48 1HB ALA 48 9.202 1.149 1.096 373 H LYS 49 H LYS 49 11.639 0.526 4.022 374 HA LYS 49 HA LYS 49 11.194 3.104 5.242 375 1HB LYS 49 2HB LYS 49 12.608 0.520 5.986 376 2HB LYS 49 1HB LYS 49 12.405 1.808 7.142 377 1HG LYS 49 2HG LYS 49 10.201 0.294 5.739 378 2HG LYS 49 1HG LYS 49 10.658 0.112 7.421 379 1HD LYS 49 2HD LYS 49 9.654 2.669 6.173 380 2HD LYS 49 1HD LYS 49 8.652 1.535 7.071 381 1HE LYS 49 2HE LYS 49 9.425 2.265 9.074 382 2HE LYS 49 1HE LYS 49 11.105 2.239 8.506 383 1HZ LYS 49 3HZ LYS 49 10.690 4.297 7.285 384 2HZ LYS 49 2HZ LYS 49 9.085 4.332 7.850 385 3HZ LYS 49 1HZ LYS 49 10.378 4.515 8.937 386 H LYS 50 H LYS 50 13.951 1.205 4.219 387 HA LYS 50 HA LYS 50 16.139 2.876 4.950 388 1HB LYS 50 2HB LYS 50 16.566 0.623 4.410 389 2HB LYS 50 1HB LYS 50 15.478 0.661 3.041 390 1HG LYS 50 2HG LYS 50 17.301 2.328 2.053 391 2HG LYS 50 1HG LYS 50 18.346 1.460 3.183 392 1HD LYS 50 2HD LYS 50 16.497 0.033 1.233 393 2HD LYS 50 1HD LYS 50 18.175 0.438 0.841 394 1HE LYS 50 2HE LYS 50 18.888 -0.834 2.918 395 2HE LYS 50 1HE LYS 50 17.205 -1.376 3.086 396 1HZ LYS 50 1HZ LYS 50 17.316 -2.196 0.777 397 2HZ LYS 50 3HZ LYS 50 18.959 -1.772 0.709 398 3HZ LYS 50 2HZ LYS 50 18.435 -2.978 1.787 399 H LEU 51 H LEU 51 14.032 2.734 2.076 400 HA LEU 51 HA LEU 51 15.469 4.760 0.551 401 1HB LEU 51 2HB LEU 51 13.020 3.097 0.381 402 2HB LEU 51 1HB LEU 51 12.955 4.610 -0.506 403 HG LEU 51 HG LEU 51 14.594 3.970 -1.993 404 1HD1 LEU 51 3HD1 LEU 51 15.668 2.319 0.274 405 2HD1 LEU 51 2HD1 LEU 51 16.147 1.953 -1.383 406 3HD1 LEU 51 1HD1 LEU 51 16.494 3.545 -0.693 407 1HD2 LEU 51 2HD2 LEU 51 13.055 1.619 -0.998 408 2HD2 LEU 51 1HD2 LEU 51 13.013 2.401 -2.582 409 3HD2 LEU 51 3HD2 LEU 51 14.349 1.323 -2.167 410 H ASN 52 H ASN 52 12.541 4.740 2.591 411 HA ASN 52 HA ASN 52 11.723 7.416 2.064 412 1HB ASN 52 2HB ASN 52 10.013 6.792 3.413 413 2HB ASN 52 1HB ASN 52 10.795 5.222 3.488 414 1HD2 ASN 52 1HD2 ASN 52 10.674 8.385 5.214 415 2HD2 ASN 52 2HD2 ASN 52 11.050 7.732 6.732 416 H ASP 53 H ASP 53 13.987 6.109 4.498 417 HA ASP 53 HA ASP 53 14.467 8.744 5.724 418 1HB ASP 53 2HB ASP 53 15.853 6.054 5.990 419 2HB ASP 53 1HB ASP 53 16.146 7.447 7.026 420 H ALA 54 H ALA 54 16.236 6.577 3.471 421 HA ALA 54 HA ALA 54 18.632 8.201 3.283 422 1HB ALA 54 3HB ALA 54 17.408 6.205 1.345 423 2HB ALA 54 2HB ALA 54 19.088 6.747 1.340 424 3HB ALA 54 1HB ALA 54 18.471 5.796 2.692 425 H GLN 55 H GLN 55 15.653 7.993 1.308 426 HA GLN 55 HA GLN 55 16.506 10.177 -0.490 427 1HB GLN 55 2HB GLN 55 13.896 8.660 -0.209 428 2HB GLN 55 1HB GLN 55 14.313 9.734 -1.538 429 1HG GLN 55 2HG GLN 55 16.218 8.262 -2.133 430 2HG GLN 55 1HG GLN 55 15.789 7.172 -0.813 431 1HE2 GLN 55 1HE2 GLN 55 13.102 6.836 -0.973 432 2HE2 GLN 55 2HE2 GLN 55 12.630 6.263 -2.498 433 H ALA 56 H ALA 56 15.428 10.220 2.665 434 HA ALA 56 HA ALA 56 13.267 12.130 2.612 435 1HB ALA 56 2HB ALA 56 14.954 12.172 4.987 436 2HB ALA 56 3HB ALA 56 14.571 10.522 4.487 437 3HB ALA 56 1HB ALA 56 13.274 11.671 4.825 438 HA PRO 57 HA PRO 57 15.420 15.899 2.113 439 1HB PRO 57 2HB PRO 57 13.784 17.594 3.504 440 2HB PRO 57 1HB PRO 57 13.347 16.903 1.928 441 1HG PRO 57 2HG PRO 57 12.508 16.058 4.655 442 2HG PRO 57 1HG PRO 57 11.559 16.158 3.162 443 1HD PRO 57 1HD PRO 57 12.553 13.831 4.157 444 2HD PRO 57 2HD PRO 57 12.266 14.111 2.426 445 H LYS 58 H LYS 58 16.895 17.263 3.227 446 HA LYS 58 HA LYS 58 18.398 17.916 4.896 447 1HB LYS 58 2HB LYS 58 16.186 18.757 5.781 448 2HB LYS 58 1HB LYS 58 16.065 17.286 6.742 449 1HG LYS 58 2HG LYS 58 18.240 17.853 7.824 450 2HG LYS 58 1HG LYS 58 18.264 19.369 6.921 451 1HD LYS 58 2HD LYS 58 16.106 20.011 7.967 452 2HD LYS 58 1HD LYS 58 16.128 18.515 8.902 453 1HE LYS 58 2HE LYS 58 18.543 20.295 9.053 454 2HE LYS 58 1HE LYS 58 17.088 20.770 9.951 455 1HZ LYS 58 1HZ LYS 58 18.394 18.093 10.077 456 2HZ LYS 58 3HZ LYS 58 18.495 19.293 11.272 457 3HZ LYS 58 2HZ LYS 58 17.002 18.559 10.933 458 H1 VAL 1 3H VAL 1 5.154 -13.587 -17.539 459 H2 VAL 1 2H VAL 1 6.540 -13.053 -16.715 460 H3 VAL 1 1H VAL 1 6.010 -14.660 -16.545 461 HA VAL 1 HA VAL 1 4.096 -14.020 -15.309 462 HB VAL 1 HB VAL 1 6.606 -12.489 -14.504 463 1HG1 VAL 1 1HG1 VAL 1 4.129 -13.228 -12.911 464 2HG1 VAL 1 3HG1 VAL 1 5.651 -12.732 -12.169 465 3HG1 VAL 1 2HG1 VAL 1 4.768 -11.609 -13.203 466 1HG2 VAL 1 3HG2 VAL 1 5.583 -15.290 -13.980 467 2HG2 VAL 1 2HG2 VAL 1 7.138 -14.807 -14.658 468 3HG2 VAL 1 1HG2 VAL 1 6.800 -14.537 -12.949 469 H ASP 2 H ASP 2 2.369 -12.643 -15.388 470 HA ASP 2 HA ASP 2 2.837 -9.768 -16.127 471 1HB ASP 2 2HB ASP 2 0.669 -11.709 -17.006 472 2HB ASP 2 1HB ASP 2 0.664 -9.988 -17.385 473 H ASN 3 H ASN 3 2.871 -9.784 -13.603 474 HA ASN 3 HA ASN 3 0.188 -9.981 -12.350 475 1HB ASN 3 2HB ASN 3 2.333 -10.849 -11.316 476 2HB ASN 3 1HB ASN 3 2.885 -9.185 -11.182 477 1HD2 ASN 3 1HD2 ASN 3 2.443 -10.944 -8.886 478 2HD2 ASN 3 2HD2 ASN 3 1.188 -10.265 -7.965 479 H LYS 4 H LYS 4 -0.967 -8.211 -13.221 480 HA LYS 4 HA LYS 4 0.184 -5.484 -13.134 481 1HB LYS 4 2HB LYS 4 -1.219 -6.482 -15.016 482 2HB LYS 4 1HB LYS 4 -2.599 -6.387 -13.924 483 1HG LYS 4 2HG LYS 4 -2.200 -3.933 -13.687 484 2HG LYS 4 1HG LYS 4 -0.890 -4.058 -14.860 485 1HD LYS 4 2HD LYS 4 -2.512 -4.956 -16.526 486 2HD LYS 4 1HD LYS 4 -3.809 -4.722 -15.354 487 1HE LYS 4 2HE LYS 4 -2.029 -2.384 -16.014 488 2HE LYS 4 1HE LYS 4 -3.314 -2.835 -17.148 489 1HZ LYS 4 2HZ LYS 4 -4.892 -2.819 -15.286 490 2HZ LYS 4 1HZ LYS 4 -3.657 -2.309 -14.234 491 3HZ LYS 4 3HZ LYS 4 -4.168 -1.298 -15.496 492 H PHE 5 H PHE 5 -1.438 -7.449 -10.877 493 HA PHE 5 HA PHE 5 -3.279 -5.645 -9.657 494 1HB PHE 5 2HB PHE 5 -1.652 -7.977 -8.631 495 2HB PHE 5 1HB PHE 5 -2.902 -7.194 -7.695 496 HD1 PHE 5 HD1 PHE 5 -2.208 -9.654 -10.210 497 HD2 PHE 5 HD2 PHE 5 -5.281 -7.058 -8.699 498 HE1 PHE 5 HE1 PHE 5 -3.930 -11.028 -11.346 499 HE2 PHE 5 HE2 PHE 5 -7.001 -8.432 -9.833 500 HZ PHE 5 HZ PHE 5 -6.326 -10.418 -11.158 501 H ASN 6 H ASN 6 0.147 -6.290 -9.024 502 HA ASN 6 HA ASN 6 0.452 -4.507 -6.805 503 1HB ASN 6 2HB ASN 6 2.931 -4.601 -7.493 504 2HB ASN 6 1HB ASN 6 2.153 -6.120 -7.081 505 1HD2 ASN 6 1HD2 ASN 6 3.062 -7.669 -8.457 506 2HD2 ASN 6 2HD2 ASN 6 3.248 -7.481 -10.132 507 H LYS 7 H LYS 7 0.644 -3.958 -10.260 508 HA LYS 7 HA LYS 7 1.677 -1.278 -10.232 509 1HB LYS 7 2HB LYS 7 -0.195 -2.771 -12.096 510 2HB LYS 7 1HB LYS 7 0.507 -1.202 -12.489 511 1HG LYS 7 2HG LYS 7 2.782 -2.179 -12.246 512 2HG LYS 7 1HG LYS 7 2.057 -3.749 -11.910 513 1HD LYS 7 2HD LYS 7 0.905 -3.627 -14.138 514 2HD LYS 7 1HD LYS 7 1.808 -2.150 -14.475 515 1HE LYS 7 2HE LYS 7 3.222 -3.739 -15.449 516 2HE LYS 7 1HE LYS 7 3.893 -3.689 -13.808 517 1HZ LYS 7 3HZ LYS 7 1.772 -5.565 -14.739 518 2HZ LYS 7 2HZ LYS 7 3.405 -5.971 -14.511 519 3HZ LYS 7 1HZ LYS 7 2.447 -5.523 -13.183 520 H GLU 8 H GLU 8 -1.561 -2.603 -9.907 521 HA GLU 8 HA GLU 8 -2.879 -0.034 -9.846 522 1HB GLU 8 2HB GLU 8 -3.592 -2.815 -9.820 523 2HB GLU 8 1HB GLU 8 -4.430 -1.998 -8.499 524 1HG GLU 8 2HG GLU 8 -4.332 -0.918 -11.313 525 2HG GLU 8 1HG GLU 8 -5.636 -1.946 -10.724 526 H LEU 9 H LEU 9 -1.492 -2.144 -7.374 527 HA LEU 9 HA LEU 9 -2.630 -0.695 -5.146 528 1HB LEU 9 2HB LEU 9 0.028 -2.086 -4.987 529 2HB LEU 9 1HB LEU 9 -1.163 -1.845 -3.768 530 HG LEU 9 HG LEU 9 -1.796 -3.568 -6.131 531 1HD1 LEU 9 2HD1 LEU 9 0.098 -4.065 -3.998 532 2HD1 LEU 9 1HD1 LEU 9 -1.267 -5.176 -3.863 533 3HD1 LEU 9 3HD1 LEU 9 -0.314 -5.123 -5.353 534 1HD2 LEU 9 1HD2 LEU 9 -3.638 -2.649 -4.670 535 2HD2 LEU 9 3HD2 LEU 9 -3.525 -4.417 -4.615 536 3HD2 LEU 9 2HD2 LEU 9 -2.871 -3.454 -3.294 537 H SER 10 H SER 10 0.102 -0.080 -7.271 538 HA SER 10 HA SER 10 1.506 1.792 -5.570 539 1HB SER 10 2HB SER 10 2.605 0.922 -7.468 540 2HB SER 10 1HB SER 10 1.264 1.286 -8.534 541 HG SER 10 HG SER 10 1.901 3.320 -8.652 542 H VAL 11 H VAL 11 -1.024 2.151 -8.091 543 HA VAL 11 HA VAL 11 -1.420 5.029 -7.553 544 HB VAL 11 HB VAL 11 -3.035 3.099 -9.268 545 1HG1 VAL 11 2HG1 VAL 11 -2.752 6.092 -9.100 546 2HG1 VAL 11 1HG1 VAL 11 -3.224 5.327 -10.619 547 3HG1 VAL 11 3HG1 VAL 11 -4.219 5.115 -9.180 548 1HG2 VAL 11 1HG2 VAL 11 -0.527 4.668 -9.972 549 2HG2 VAL 11 3HG2 VAL 11 -0.673 2.907 -9.900 550 3HG2 VAL 11 2HG2 VAL 11 -1.542 3.822 -11.139 551 H ALA 12 H ALA 12 -3.592 2.158 -7.467 552 HA ALA 12 HA ALA 12 -5.749 3.294 -6.015 553 1HB ALA 12 2HB ALA 12 -5.479 1.041 -7.311 554 2HB ALA 12 3HB ALA 12 -6.549 1.097 -5.910 555 3HB ALA 12 1HB ALA 12 -4.925 0.411 -5.750 556 H GLY 13 H GLY 13 -3.049 1.374 -4.812 557 1HA GLY 13 1HA GLY 13 -2.136 1.139 -2.688 558 2HA GLY 13 2HA GLY 13 -3.749 1.468 -2.064 559 H ARG 14 H ARG 14 -1.281 3.404 -3.803 560 HA ARG 14 HA ARG 14 -0.605 5.021 -1.597 561 1HB ARG 14 2HB ARG 14 0.613 4.846 -3.766 562 2HB ARG 14 1HB ARG 14 -0.623 5.871 -4.503 563 1HG ARG 14 2HG ARG 14 1.148 7.335 -3.868 564 2HG ARG 14 1HG ARG 14 -0.122 7.562 -2.674 565 1HD ARG 14 2HD ARG 14 1.457 5.469 -1.646 566 2HD ARG 14 1HD ARG 14 2.606 6.667 -2.268 567 HE ARG 14 HE ARG 14 0.517 7.215 -0.230 568 1HH1 ARG 14 1HH1 ARG 14 1.004 9.653 -1.838 569 2HH1 ARG 14 2HH1 ARG 14 2.335 10.399 -1.020 570 1HH2 ARG 14 1HH2 ARG 14 3.215 7.517 0.735 571 2HH2 ARG 14 2HH2 ARG 14 3.597 9.182 0.447 572 H GLU 15 H GLU 15 -3.310 5.486 -3.919 573 HA GLU 15 HA GLU 15 -4.050 8.118 -2.875 574 1HB GLU 15 2HB GLU 15 -5.409 6.001 -4.545 575 2HB GLU 15 1HB GLU 15 -6.188 7.536 -4.162 576 1HG GLU 15 2HG GLU 15 -4.288 8.744 -5.197 577 2HG GLU 15 1HG GLU 15 -3.529 7.205 -5.595 578 H ILE 16 H ILE 16 -5.158 4.763 -2.280 579 HA ILE 16 HA ILE 16 -7.256 5.264 -0.375 580 HB ILE 16 HB ILE 16 -5.323 2.974 -0.881 581 1HG1 ILE 16 2HG1 ILE 16 -8.301 3.137 -1.502 582 2HG1 ILE 16 1HG1 ILE 16 -7.081 3.686 -2.644 583 1HG2 ILE 16 1HG2 ILE 16 -7.643 3.179 1.052 584 2HG2 ILE 16 3HG2 ILE 16 -7.223 1.622 0.333 585 3HG2 ILE 16 2HG2 ILE 16 -6.041 2.491 1.313 586 1HD1 ILE 16 3HD1 ILE 16 -6.035 1.384 -2.471 587 2HD1 ILE 16 2HD1 ILE 16 -7.452 0.887 -1.549 588 3HD1 ILE 16 1HD1 ILE 16 -7.628 1.414 -3.222 589 H VAL 17 H VAL 17 -3.781 4.762 -0.048 590 HA VAL 17 HA VAL 17 -3.667 4.579 2.823 591 HB VAL 17 HB VAL 17 -2.138 3.756 0.933 592 1HG1 VAL 17 2HG1 VAL 17 -1.259 6.559 1.071 593 2HG1 VAL 17 1HG1 VAL 17 -0.114 5.270 0.686 594 3HG1 VAL 17 3HG1 VAL 17 -1.547 5.496 -0.300 595 1HG2 VAL 17 2HG2 VAL 17 -1.651 3.386 3.250 596 2HG2 VAL 17 1HG2 VAL 17 -0.175 3.741 2.345 597 3HG2 VAL 17 3HG2 VAL 17 -0.905 4.994 3.348 598 H THR 18 H THR 18 -3.570 7.372 0.602 599 HA THR 18 HA THR 18 -3.463 9.110 3.017 600 HB THR 18 HB THR 18 -1.162 8.755 2.317 601 HG1 THR 18 HG1 THR 18 -1.990 11.334 1.478 602 1HG2 THR 18 1HG2 THR 18 -2.223 9.499 -0.395 603 2HG2 THR 18 3HG2 THR 18 -0.522 9.758 0.001 604 3HG2 THR 18 2HG2 THR 18 -1.209 8.134 0.077 605 H LEU 19 H LEU 19 -5.766 8.616 1.196 606 HA LEU 19 HA LEU 19 -6.064 10.825 -0.667 607 1HB LEU 19 2HB LEU 19 -8.540 10.301 -0.329 608 2HB LEU 19 1HB LEU 19 -7.522 8.984 -0.885 609 HG LEU 19 HG LEU 19 -7.587 9.056 2.009 610 1HD1 LEU 19 1HD1 LEU 19 -10.151 9.205 0.470 611 2HD1 LEU 19 3HD1 LEU 19 -10.064 8.266 1.956 612 3HD1 LEU 19 2HD1 LEU 19 -9.712 9.992 1.988 613 1HD2 LEU 19 2HD2 LEU 19 -8.292 7.143 -0.214 614 2HD2 LEU 19 1HD2 LEU 19 -6.955 7.051 0.921 615 3HD2 LEU 19 3HD2 LEU 19 -8.595 6.717 1.470 616 HA PRO 20 HA PRO 20 -6.685 14.466 1.581 617 1HB PRO 20 2HB PRO 20 -9.154 15.455 0.873 618 2HB PRO 20 1HB PRO 20 -7.703 15.518 -0.149 619 1HG PRO 20 2HG PRO 20 -9.929 13.517 -0.161 620 2HG PRO 20 1HG PRO 20 -9.179 14.367 -1.526 621 1HD PRO 20 1HD PRO 20 -8.482 11.875 -0.986 622 2HD PRO 20 2HD PRO 20 -7.239 13.060 -1.436 623 H ASN 21 H ASN 21 -9.598 12.371 2.186 624 HA ASN 21 HA ASN 21 -9.720 13.733 4.884 625 1HB ASN 21 2HB ASN 21 -11.933 12.715 3.112 626 2HB ASN 21 1HB ASN 21 -12.183 13.323 4.735 627 1HD2 ASN 21 1HD2 ASN 21 -13.228 14.450 2.179 628 2HD2 ASN 21 2HD2 ASN 21 -12.643 16.043 2.101 629 H LEU 22 H LEU 22 -8.519 10.901 4.035 630 HA LEU 22 HA LEU 22 -10.295 9.165 5.686 631 1HB LEU 22 2HB LEU 22 -8.913 8.636 3.458 632 2HB LEU 22 1HB LEU 22 -7.695 8.215 4.644 633 HG LEU 22 HG LEU 22 -9.898 7.008 5.719 634 1HD1 LEU 22 3HD1 LEU 22 -11.135 7.636 3.570 635 2HD1 LEU 22 2HD1 LEU 22 -10.075 6.494 2.745 636 3HD1 LEU 22 1HD1 LEU 22 -11.165 5.930 4.008 637 1HD2 LEU 22 3HD2 LEU 22 -7.682 6.099 3.913 638 2HD2 LEU 22 2HD2 LEU 22 -7.937 5.774 5.631 639 3HD2 LEU 22 1HD2 LEU 22 -8.914 4.940 4.424 640 H ASN 23 H ASN 23 -9.475 7.969 7.449 641 HA ASN 23 HA ASN 23 -7.150 9.264 8.844 642 1HB ASN 23 2HB ASN 23 -8.221 9.029 10.889 643 2HB ASN 23 1HB ASN 23 -9.531 9.457 9.804 644 1HD2 ASN 23 1HD2 ASN 23 -9.688 6.547 8.754 645 2HD2 ASN 23 2HD2 ASN 23 -10.411 5.713 10.026 646 H ASP 24 H ASP 24 -5.746 7.907 10.121 647 HA ASP 24 HA ASP 24 -4.571 5.859 8.722 648 1HB ASP 24 2HB ASP 24 -3.256 5.391 10.725 649 2HB ASP 24 1HB ASP 24 -3.480 7.113 10.466 650 HA PRO 25 HA PRO 25 -6.518 2.227 11.162 651 1HB PRO 25 2HB PRO 25 -9.106 2.504 12.035 652 2HB PRO 25 1HB PRO 25 -7.691 2.835 13.054 653 1HG PRO 25 2HG PRO 25 -9.439 4.735 11.571 654 2HG PRO 25 1HG PRO 25 -8.744 4.875 13.191 655 1HD PRO 25 1HD PRO 25 -7.705 6.153 11.048 656 2HD PRO 25 2HD PRO 25 -6.725 5.598 12.410 657 H GLN 26 H GLN 26 -8.890 4.286 9.333 658 HA GLN 26 HA GLN 26 -10.186 2.012 8.092 659 1HB GLN 26 2HB GLN 26 -10.153 4.991 7.565 660 2HB GLN 26 1HB GLN 26 -11.038 3.879 6.511 661 1HG GLN 26 2HG GLN 26 -12.137 2.932 8.601 662 2HG GLN 26 1HG GLN 26 -11.431 4.265 9.497 663 1HE2 GLN 26 1HE2 GLN 26 -12.220 6.505 8.917 664 2HE2 GLN 26 2HE2 GLN 26 -13.719 6.682 8.153 665 H LYS 27 H LYS 27 -7.597 4.241 6.905 666 HA LYS 27 HA LYS 27 -7.236 2.965 4.355 667 1HB LYS 27 2HB LYS 27 -4.807 3.782 4.651 668 2HB LYS 27 1HB LYS 27 -6.078 4.986 4.557 669 1HG LYS 27 2HG LYS 27 -6.027 4.958 7.138 670 2HG LYS 27 1HG LYS 27 -4.513 4.081 6.964 671 1HD LYS 27 2HD LYS 27 -3.885 6.366 7.108 672 2HD LYS 27 1HD LYS 27 -3.783 5.959 5.401 673 1HE LYS 27 2HE LYS 27 -5.551 7.310 4.821 674 2HE LYS 27 1HE LYS 27 -6.416 7.000 6.335 675 1HZ LYS 27 1HZ LYS 27 -4.755 8.335 7.508 676 2HZ LYS 27 3HZ LYS 27 -3.967 8.664 6.041 677 3HZ LYS 27 2HZ LYS 27 -5.537 9.250 6.310 678 H LYS 28 H LYS 28 -6.019 2.194 7.570 679 HA LYS 28 HA LYS 28 -4.050 0.263 6.902 680 1HB LYS 28 2HB LYS 28 -5.550 1.184 9.210 681 2HB LYS 28 1HB LYS 28 -5.517 -0.579 9.238 682 1HG LYS 28 2HG LYS 28 -3.023 0.894 8.616 683 2HG LYS 28 1HG LYS 28 -3.538 0.820 10.287 684 1HD LYS 28 2HD LYS 28 -3.368 -1.510 10.359 685 2HD LYS 28 1HD LYS 28 -3.446 -1.662 8.600 686 1HE LYS 28 2HE LYS 28 -1.207 -1.071 8.300 687 2HE LYS 28 1HE LYS 28 -1.130 -0.182 9.833 688 1HZ LYS 28 3HZ LYS 28 -1.596 -3.117 9.698 689 2HZ LYS 28 2HZ LYS 28 -0.046 -2.441 9.842 690 3HZ LYS 28 1HZ LYS 28 -1.200 -2.188 11.062 691 H ALA 29 H ALA 29 -7.496 -0.364 7.826 692 HA ALA 29 HA ALA 29 -7.525 -3.128 7.005 693 1HB ALA 29 2HB ALA 29 -9.988 -2.813 7.183 694 2HB ALA 29 3HB ALA 29 -9.749 -1.067 7.246 695 3HB ALA 29 1HB ALA 29 -9.146 -2.088 8.553 696 H PHE 30 H PHE 30 -8.129 -0.088 5.281 697 HA PHE 30 HA PHE 30 -9.312 -1.143 2.881 698 1HB PHE 30 2HB PHE 30 -8.428 1.354 3.990 699 2HB PHE 30 1HB PHE 30 -7.732 1.203 2.386 700 HD1 PHE 30 HD1 PHE 30 -10.771 1.648 4.322 701 HD2 PHE 30 HD2 PHE 30 -9.169 0.829 0.424 702 HE1 PHE 30 HE1 PHE 30 -12.959 2.210 3.310 703 HE2 PHE 30 HE2 PHE 30 -11.359 1.396 -0.582 704 HZ PHE 30 HZ PHE 30 -13.246 2.092 0.864 705 H ILE 31 H ILE 31 -5.947 -0.136 3.559 706 HA ILE 31 HA ILE 31 -4.881 -0.981 1.047 707 HB ILE 31 HB ILE 31 -3.779 -0.463 3.825 708 1HG1 ILE 31 2HG1 ILE 31 -4.012 1.068 1.279 709 2HG1 ILE 31 1HG1 ILE 31 -3.991 1.652 2.957 710 1HG2 ILE 31 1HG2 ILE 31 -2.473 -2.292 2.413 711 2HG2 ILE 31 3HG2 ILE 31 -1.869 -0.874 1.538 712 3HG2 ILE 31 2HG2 ILE 31 -1.612 -1.036 3.282 713 1HD1 ILE 31 2HD1 ILE 31 -1.566 0.604 1.535 714 2HD1 ILE 31 1HD1 ILE 31 -2.015 2.289 1.553 715 3HD1 ILE 31 3HD1 ILE 31 -1.636 1.489 3.075 716 H PHE 32 H PHE 32 -5.166 -2.583 4.246 717 HA PHE 32 HA PHE 32 -3.810 -4.996 3.545 718 1HB PHE 32 2HB PHE 32 -5.695 -4.091 5.704 719 2HB PHE 32 1HB PHE 32 -5.349 -5.814 5.566 720 HD1 PHE 32 HD1 PHE 32 -3.332 -2.550 5.350 721 HD2 PHE 32 HD2 PHE 32 -3.523 -6.627 6.930 722 HE1 PHE 32 HE1 PHE 32 -1.180 -2.281 6.459 723 HE2 PHE 32 HE2 PHE 32 -1.356 -6.251 7.977 724 HZ PHE 32 HZ PHE 32 -0.186 -4.144 7.707 725 H SER 33 H SER 33 -7.233 -3.977 3.017 726 HA SER 33 HA SER 33 -7.981 -6.664 2.018 727 1HB SER 33 2HB SER 33 -10.108 -5.518 1.447 728 2HB SER 33 1HB SER 33 -9.631 -5.177 3.103 729 HG SER 33 HG SER 33 -9.513 -3.155 2.595 730 H LEU 34 H LEU 34 -6.828 -3.573 0.710 731 HA LEU 34 HA LEU 34 -7.195 -4.075 -2.118 732 1HB LEU 34 2HB LEU 34 -6.850 -1.852 -1.375 733 2HB LEU 34 1HB LEU 34 -5.494 -2.283 -0.363 734 HG LEU 34 HG LEU 34 -4.353 -2.843 -2.641 735 1HD1 LEU 34 1HD1 LEU 34 -6.901 -1.827 -3.528 736 2HD1 LEU 34 3HD1 LEU 34 -5.635 -0.703 -4.041 737 3HD1 LEU 34 2HD1 LEU 34 -5.555 -2.410 -4.508 738 1HD2 LEU 34 1HD2 LEU 34 -3.785 -0.966 -1.050 739 2HD2 LEU 34 3HD2 LEU 34 -3.525 -0.558 -2.750 740 3HD2 LEU 34 2HD2 LEU 34 -4.955 0.035 -1.915 741 H TRP 35 H TRP 35 -4.559 -4.770 0.184 742 HA TRP 35 HA TRP 35 -2.660 -5.821 -1.734 743 1HB TRP 35 2HB TRP 35 -2.136 -4.980 0.546 744 2HB TRP 35 1HB TRP 35 -2.979 -6.369 1.232 745 HD1 TRP 35 HD1 TRP 35 -1.584 -8.513 1.509 746 HE1 TRP 35 HE1 TRP 35 0.645 -9.357 0.598 747 HE3 TRP 35 HE3 TRP 35 -0.479 -4.732 -1.694 748 HZ2 TRP 35 HZ2 TRP 35 2.680 -8.513 -1.229 749 HZ3 TRP 35 HZ3 TRP 35 1.608 -4.779 -3.007 750 HH2 TRP 35 HH2 TRP 35 3.181 -6.644 -2.773 751 H ASP 36 H ASP 36 -4.978 -7.388 0.521 752 HA ASP 36 HA ASP 36 -4.343 -10.101 -0.197 753 1HB ASP 36 2HB ASP 36 -5.635 -8.905 1.841 754 2HB ASP 36 1HB ASP 36 -7.036 -9.333 0.863 755 H ASP 37 H ASP 37 -6.854 -7.800 -1.284 756 HA ASP 37 HA ASP 37 -7.416 -9.652 -3.534 757 1HB ASP 37 2HB ASP 37 -9.341 -8.174 -1.722 758 2HB ASP 37 1HB ASP 37 -9.840 -8.943 -3.226 759 HA PRO 38 HA PRO 38 -6.489 -5.328 -5.069 760 1HB PRO 38 2HB PRO 38 -4.812 -6.096 -7.069 761 2HB PRO 38 1HB PRO 38 -4.271 -5.751 -5.416 762 1HG PRO 38 2HG PRO 38 -4.883 -8.398 -6.678 763 2HG PRO 38 1HG PRO 38 -3.501 -7.936 -5.678 764 1HD PRO 38 1HD PRO 38 -5.556 -9.297 -4.645 765 2HD PRO 38 2HD PRO 38 -4.712 -8.035 -3.711 766 H SER 39 H SER 39 -8.031 -8.179 -6.204 767 HA SER 39 HA SER 39 -8.586 -7.566 -8.959 768 1HB SER 39 2HB SER 39 -9.210 -9.561 -7.182 769 2HB SER 39 1HB SER 39 -10.747 -8.712 -7.257 770 HG SER 39 HG SER 39 -10.729 -10.205 -8.900 771 H GLN 40 H GLN 40 -9.952 -6.517 -5.866 772 HA GLN 40 HA GLN 40 -11.920 -4.677 -7.137 773 1HB GLN 40 2HB GLN 40 -11.365 -4.932 -4.187 774 2HB GLN 40 1HB GLN 40 -12.887 -4.557 -4.987 775 1HG GLN 40 2HG GLN 40 -12.491 -7.056 -5.932 776 2HG GLN 40 1HG GLN 40 -11.618 -7.172 -4.402 777 1HE2 GLN 40 1HE2 GLN 40 -13.141 -5.680 -2.637 778 2HE2 GLN 40 2HE2 GLN 40 -14.718 -6.300 -2.540 779 H SER 41 H SER 41 -8.736 -4.332 -6.998 780 HA SER 41 HA SER 41 -8.053 -2.279 -5.190 781 1HB SER 41 2HB SER 41 -6.215 -1.842 -6.761 782 2HB SER 41 1HB SER 41 -6.452 -3.554 -6.454 783 HG SER 41 HG SER 41 -6.964 -2.040 -8.758 784 H ALA 42 H ALA 42 -9.436 -1.978 -8.495 785 HA ALA 42 HA ALA 42 -9.348 0.917 -8.625 786 1HB ALA 42 1HB ALA 42 -11.212 -1.121 -9.918 787 2HB ALA 42 3HB ALA 42 -11.016 0.551 -10.445 788 3HB ALA 42 2HB ALA 42 -9.668 -0.580 -10.580 789 H ASN 43 H ASN 43 -11.795 -1.451 -7.529 790 HA ASN 43 HA ASN 43 -13.828 0.402 -6.761 791 1HB ASN 43 2HB ASN 43 -14.046 -2.082 -7.160 792 2HB ASN 43 1HB ASN 43 -13.203 -2.346 -5.633 793 1HD2 ASN 43 1HD2 ASN 43 -14.395 -2.041 -3.672 794 2HD2 ASN 43 2HD2 ASN 43 -16.043 -1.635 -3.646 795 H LEU 44 H LEU 44 -10.988 -0.970 -5.043 796 HA LEU 44 HA LEU 44 -11.628 0.033 -2.403 797 1HB LEU 44 2HB LEU 44 -9.285 -1.067 -3.894 798 2HB LEU 44 1HB LEU 44 -8.951 -0.215 -2.389 799 HG LEU 44 HG LEU 44 -11.206 -2.107 -2.240 800 1HD1 LEU 44 2HD1 LEU 44 -8.703 -2.940 -3.441 801 2HD1 LEU 44 1HD1 LEU 44 -8.943 -3.751 -1.888 802 3HD1 LEU 44 3HD1 LEU 44 -10.168 -3.894 -3.153 803 1HD2 LEU 44 2HD2 LEU 44 -8.736 -1.416 -0.609 804 2HD2 LEU 44 1HD2 LEU 44 -10.424 -0.988 -0.275 805 3HD2 LEU 44 3HD2 LEU 44 -9.892 -2.667 -0.130 806 H LEU 45 H LEU 45 -9.609 1.215 -4.998 807 HA LEU 45 HA LEU 45 -8.583 3.614 -3.918 808 1HB LEU 45 2HB LEU 45 -8.007 2.433 -6.085 809 2HB LEU 45 1HB LEU 45 -9.518 3.017 -6.756 810 HG LEU 45 HG LEU 45 -7.221 4.290 -7.153 811 1HD1 LEU 45 1HD1 LEU 45 -9.514 4.863 -7.995 812 2HD1 LEU 45 3HD1 LEU 45 -9.765 5.802 -6.525 813 3HD1 LEU 45 2HD1 LEU 45 -8.497 6.264 -7.660 814 1HD2 LEU 45 3HD2 LEU 45 -6.743 4.628 -4.768 815 2HD2 LEU 45 2HD2 LEU 45 -6.982 6.172 -5.588 816 3HD2 LEU 45 1HD2 LEU 45 -8.258 5.512 -4.577 817 H ALA 46 H ALA 46 -11.615 2.997 -5.701 818 HA ALA 46 HA ALA 46 -12.693 5.687 -5.542 819 1HB ALA 46 2HB ALA 46 -14.815 4.296 -6.073 820 2HB ALA 46 1HB ALA 46 -13.485 4.204 -7.228 821 3HB ALA 46 3HB ALA 46 -13.730 2.902 -6.063 822 H GLU 47 H GLU 47 -13.250 2.672 -3.690 823 HA GLU 47 HA GLU 47 -15.203 3.583 -1.854 824 1HB GLU 47 2HB GLU 47 -14.177 1.219 -2.412 825 2HB GLU 47 1HB GLU 47 -13.028 1.605 -1.130 826 1HG GLU 47 2HG GLU 47 -14.842 0.416 -0.091 827 2HG GLU 47 1HG GLU 47 -15.053 2.109 0.347 828 H ALA 48 H ALA 48 -11.678 3.842 -1.821 829 HA ALA 48 HA ALA 48 -11.334 4.779 0.890 830 1HB ALA 48 1HB ALA 48 -9.290 4.160 0.070 831 2HB ALA 48 2HB ALA 48 -9.214 5.780 -0.618 832 3HB ALA 48 3HB ALA 48 -9.782 4.416 -1.607 833 H LYS 49 H LYS 49 -11.486 6.492 -2.266 834 HA LYS 49 HA LYS 49 -11.399 9.179 -1.218 835 1HB LYS 49 2HB LYS 49 -12.563 7.995 -3.767 836 2HB LYS 49 1HB LYS 49 -12.306 9.720 -3.502 837 1HG LYS 49 2HG LYS 49 -9.888 9.313 -3.179 838 2HG LYS 49 1HG LYS 49 -10.140 7.589 -3.453 839 1HD LYS 49 2HD LYS 49 -11.144 8.224 -5.710 840 2HD LYS 49 1HD LYS 49 -10.526 9.852 -5.424 841 1HE LYS 49 2HE LYS 49 -8.226 8.855 -5.107 842 2HE LYS 49 1HE LYS 49 -8.897 7.291 -5.613 843 1HZ LYS 49 1HZ LYS 49 -9.676 8.323 -7.662 844 2HZ LYS 49 3HZ LYS 49 -9.028 9.818 -7.186 845 3HZ LYS 49 2HZ LYS 49 -7.995 8.508 -7.508 846 H LYS 50 H LYS 50 -14.133 7.042 -2.128 847 HA LYS 50 HA LYS 50 -16.282 8.842 -1.506 848 1HB LYS 50 2HB LYS 50 -15.968 5.846 -1.693 849 2HB LYS 50 1HB LYS 50 -17.524 6.581 -1.304 850 1HG LYS 50 2HG LYS 50 -17.694 7.654 -3.390 851 2HG LYS 50 1HG LYS 50 -15.959 7.561 -3.687 852 1HD LYS 50 2HD LYS 50 -17.058 5.937 -5.117 853 2HD LYS 50 1HD LYS 50 -16.179 5.062 -3.866 854 1HE LYS 50 2HE LYS 50 -18.871 5.670 -2.948 855 2HE LYS 50 1HE LYS 50 -18.919 4.794 -4.489 856 1HZ LYS 50 1HZ LYS 50 -17.315 3.197 -3.574 857 2HZ LYS 50 3HZ LYS 50 -17.348 4.008 -2.083 858 3HZ LYS 50 2HZ LYS 50 -18.744 3.233 -2.659 859 H LEU 51 H LEU 51 -14.454 6.534 0.506 860 HA LEU 51 HA LEU 51 -16.081 6.724 2.885 861 1HB LEU 51 2HB LEU 51 -14.363 4.973 2.319 862 2HB LEU 51 1HB LEU 51 -13.095 6.170 2.554 863 HG LEU 51 HG LEU 51 -15.109 5.345 4.682 864 1HD1 LEU 51 2HD1 LEU 51 -12.538 4.189 3.799 865 2HD1 LEU 51 1HD1 LEU 51 -12.678 4.443 5.536 866 3HD1 LEU 51 3HD1 LEU 51 -13.862 3.446 4.695 867 1HD2 LEU 51 3HD2 LEU 51 -12.865 7.308 4.551 868 2HD2 LEU 51 2HD2 LEU 51 -14.358 7.371 5.486 869 3HD2 LEU 51 1HD2 LEU 51 -13.011 6.371 6.036 870 H ASN 52 H ASN 52 -13.172 8.509 1.766 871 HA ASN 52 HA ASN 52 -12.781 10.199 4.029 872 1HB ASN 52 2HB ASN 52 -11.135 10.974 2.673 873 2HB ASN 52 1HB ASN 52 -11.661 9.734 1.569 874 1HD2 ASN 52 1HD2 ASN 52 -10.937 10.949 -0.311 875 2HD2 ASN 52 2HD2 ASN 52 -11.776 12.326 -0.839 876 H ASP 53 H ASP 53 -15.007 10.425 1.275 877 HA ASP 53 HA ASP 53 -15.939 13.086 1.671 878 1HB ASP 53 2HB ASP 53 -17.304 10.636 0.505 879 2HB ASP 53 1HB ASP 53 -17.853 12.290 0.280 880 H ALA 54 H ALA 54 -16.737 10.012 3.274 881 HA ALA 54 HA ALA 54 -19.261 10.874 4.453 882 1HB ALA 54 2HB ALA 54 -18.145 8.529 3.997 883 2HB ALA 54 1HB ALA 54 -17.434 8.774 5.593 884 3HB ALA 54 3HB ALA 54 -19.189 8.737 5.407 885 H GLN 55 H GLN 55 -15.850 10.928 5.481 886 HA GLN 55 HA GLN 55 -16.421 11.944 8.179 887 1HB GLN 55 2HB GLN 55 -13.991 11.382 6.471 888 2HB GLN 55 1HB GLN 55 -13.826 12.118 8.054 889 1HG GLN 55 2HG GLN 55 -14.892 10.224 9.126 890 2HG GLN 55 1HG GLN 55 -15.285 9.511 7.560 891 1HE2 GLN 55 1HE2 GLN 55 -13.017 9.605 6.107 892 2HE2 GLN 55 2HE2 GLN 55 -11.729 8.819 6.894 893 H ALA 56 H ALA 56 -15.355 13.264 5.041 894 HA ALA 56 HA ALA 56 -15.890 16.037 6.013 895 1HB ALA 56 2HB ALA 56 -13.619 16.100 6.345 896 2HB ALA 56 3HB ALA 56 -13.586 16.355 4.600 897 3HB ALA 56 1HB ALA 56 -13.335 14.738 5.258 898 HA PRO 57 HA PRO 57 -17.640 16.486 1.958 899 1HB PRO 57 2HB PRO 57 -17.128 19.125 1.407 900 2HB PRO 57 1HB PRO 57 -18.371 18.588 2.555 901 1HG PRO 57 2HG PRO 57 -15.603 19.566 3.086 902 2HG PRO 57 1HG PRO 57 -17.110 19.929 3.945 903 1HD PRO 57 1HD PRO 57 -15.301 18.157 4.883 904 2HD PRO 57 2HD PRO 57 -17.048 17.970 5.157 905 H LYS 58 H LYS 58 -17.074 16.605 -0.300 906 HA LYS 58 HA LYS 58 -14.443 15.795 -1.061 907 1HB LYS 58 2HB LYS 58 -16.841 16.918 -2.526 908 2HB LYS 58 1HB LYS 58 -15.366 16.510 -3.396 909 1HG LYS 58 2HG LYS 58 -15.483 14.205 -2.512 910 2HG LYS 58 1HG LYS 58 -16.971 14.611 -1.657 911 1HD LYS 58 2HD LYS 58 -18.082 15.109 -3.796 912 2HD LYS 58 1HD LYS 58 -16.590 14.763 -4.666 913 1HE LYS 58 2HE LYS 58 -17.881 12.750 -4.838 914 2HE LYS 58 1HE LYS 58 -16.705 12.412 -3.560 915 1HZ LYS 58 1HZ LYS 58 -19.453 13.472 -3.102 916 2HZ LYS 58 3HZ LYS 58 -18.996 11.852 -2.895 917 3HZ LYS 58 2HZ LYS 58 -18.325 13.052 -1.902 No H/Q in entry = 917 Start of MODEL 31 1 H1 VAL 1 1H VAL 1 -5.751 -14.639 8.027 2 H2 VAL 1 3H VAL 1 -5.618 -13.850 9.524 3 H3 VAL 1 2H VAL 1 -5.558 -12.955 8.079 4 HA VAL 1 HA VAL 1 -3.447 -13.854 7.485 5 HB VAL 1 HB VAL 1 -3.703 -13.027 10.405 6 1HG1 VAL 1 2HG1 VAL 1 -1.256 -13.307 8.644 7 2HG1 VAL 1 1HG1 VAL 1 -1.279 -12.266 10.067 8 3HG1 VAL 1 3HG1 VAL 1 -1.526 -14.004 10.241 9 1HG2 VAL 1 2HG2 VAL 1 -3.166 -11.532 7.821 10 2HG2 VAL 1 1HG2 VAL 1 -4.519 -11.310 8.929 11 3HG2 VAL 1 3HG2 VAL 1 -2.896 -10.821 9.413 12 H ASP 2 H ASP 2 -3.392 -16.097 7.048 13 HA ASP 2 HA ASP 2 -3.631 -18.172 9.040 14 1HB ASP 2 2HB ASP 2 -2.954 -19.639 7.223 15 2HB ASP 2 1HB ASP 2 -4.006 -18.393 6.564 16 H ASN 3 H ASN 3 -0.784 -16.426 7.748 17 HA ASN 3 HA ASN 3 0.842 -17.608 9.953 18 1HB ASN 3 2HB ASN 3 2.489 -18.402 8.484 19 2HB ASN 3 1HB ASN 3 1.012 -18.746 7.595 20 1HD2 ASN 3 1HD2 ASN 3 0.430 -17.123 5.821 21 2HD2 ASN 3 2HD2 ASN 3 1.683 -16.262 5.073 22 H LYS 4 H LYS 4 3.021 -16.354 10.108 23 HA LYS 4 HA LYS 4 2.516 -13.604 10.615 24 1HB LYS 4 2HB LYS 4 5.002 -13.469 10.899 25 2HB LYS 4 1HB LYS 4 4.279 -14.835 11.739 26 1HG LYS 4 2HG LYS 4 4.929 -16.265 9.734 27 2HG LYS 4 1HG LYS 4 5.838 -14.875 9.142 28 1HD LYS 4 2HD LYS 4 7.321 -14.904 10.982 29 2HD LYS 4 1HD LYS 4 6.261 -15.950 11.929 30 1HE LYS 4 2HE LYS 4 6.981 -17.867 10.868 31 2HE LYS 4 1HE LYS 4 7.220 -17.042 9.317 32 1HZ LYS 4 1HZ LYS 4 9.140 -15.894 10.273 33 2HZ LYS 4 3HZ LYS 4 8.921 -16.713 11.743 34 3HZ LYS 4 2HZ LYS 4 9.349 -17.578 10.344 35 H PHE 5 H PHE 5 4.211 -15.017 7.763 36 HA PHE 5 HA PHE 5 4.854 -12.515 6.549 37 1HB PHE 5 2HB PHE 5 4.626 -15.354 5.573 38 2HB PHE 5 1HB PHE 5 5.054 -14.045 4.472 39 HD1 PHE 5 HD1 PHE 5 7.148 -12.812 4.722 40 HD2 PHE 5 HD2 PHE 5 6.118 -15.996 7.413 41 HE1 PHE 5 HE1 PHE 5 9.477 -12.848 5.576 42 HE2 PHE 5 HE2 PHE 5 8.449 -16.040 8.248 43 HZ PHE 5 HZ PHE 5 10.119 -14.465 7.343 44 H ASN 6 H ASN 6 1.808 -14.284 6.590 45 HA ASN 6 HA ASN 6 0.608 -13.410 4.174 46 1HB ASN 6 2HB ASN 6 -0.314 -15.041 5.854 47 2HB ASN 6 1HB ASN 6 -0.697 -13.682 6.908 48 1HD2 ASN 6 1HD2 ASN 6 -1.446 -15.055 3.668 49 2HD2 ASN 6 2HD2 ASN 6 -2.953 -14.285 3.528 50 H LYS 7 H LYS 7 0.509 -11.749 7.400 51 HA LYS 7 HA LYS 7 -0.575 -9.323 6.114 52 1HB LYS 7 2HB LYS 7 -1.510 -9.841 8.222 53 2HB LYS 7 1HB LYS 7 0.095 -10.067 8.960 54 1HG LYS 7 2HG LYS 7 0.516 -7.612 8.477 55 2HG LYS 7 1HG LYS 7 -1.177 -7.485 7.999 56 1HD LYS 7 2HD LYS 7 -1.924 -8.099 10.160 57 2HD LYS 7 1HD LYS 7 -0.296 -8.592 10.649 58 1HE LYS 7 2HE LYS 7 -0.789 -5.743 9.774 59 2HE LYS 7 1HE LYS 7 -1.194 -6.234 11.428 60 1HZ LYS 7 3HZ LYS 7 1.049 -7.138 11.669 61 2HZ LYS 7 2HZ LYS 7 1.443 -6.636 10.093 62 3HZ LYS 7 1HZ LYS 7 1.107 -5.486 11.296 63 H GLU 8 H GLU 8 2.623 -10.479 7.081 64 HA GLU 8 HA GLU 8 3.951 -7.984 7.462 65 1HB GLU 8 2HB GLU 8 4.838 -10.633 6.296 66 2HB GLU 8 1HB GLU 8 5.939 -9.267 6.461 67 1HG GLU 8 2HG GLU 8 4.363 -10.504 8.734 68 2HG GLU 8 1HG GLU 8 6.079 -10.794 8.399 69 H GLN 9 H GLN 9 3.027 -9.758 4.528 70 HA GLN 9 HA GLN 9 4.192 -7.956 2.632 71 1HB GLN 9 2HB GLN 9 1.817 -9.835 2.492 72 2HB GLN 9 1HB GLN 9 2.524 -9.034 1.094 73 1HG GLN 9 2HG GLN 9 4.621 -10.196 1.408 74 2HG GLN 9 1HG GLN 9 4.049 -10.909 2.918 75 1HE2 GLN 9 1HE2 GLN 9 3.534 -10.926 -0.628 76 2HE2 GLN 9 2HE2 GLN 9 2.724 -12.417 -0.660 77 H GLN 10 H GLN 10 1.054 -8.203 4.253 78 HA GLN 10 HA GLN 10 -0.379 -6.029 3.018 79 1HB GLN 10 2HB GLN 10 -0.661 -7.982 5.065 80 2HB GLN 10 1HB GLN 10 -1.020 -6.440 5.788 81 1HG GLN 10 2HG GLN 10 -3.095 -6.866 4.966 82 2HG GLN 10 1HG GLN 10 -2.404 -6.162 3.512 83 1HE2 GLN 10 1HE2 GLN 10 -4.055 -7.622 2.338 84 2HE2 GLN 10 2HE2 GLN 10 -3.650 -9.248 2.084 85 H ASN 11 H ASN 11 1.471 -6.203 6.066 86 HA ASN 11 HA ASN 11 1.202 -3.426 6.771 87 1HB ASN 11 2HB ASN 11 1.803 -5.476 8.218 88 2HB ASN 11 1HB ASN 11 3.434 -5.350 7.552 89 1HD2 ASN 11 1HD2 ASN 11 4.785 -3.603 8.314 90 2HD2 ASN 11 2HD2 ASN 11 4.301 -2.547 9.551 91 H ALA 12 H ALA 12 3.805 -5.311 5.173 92 HA ALA 12 HA ALA 12 5.648 -3.138 4.791 93 1HB ALA 12 2HB ALA 12 5.139 -5.809 3.461 94 2HB ALA 12 3HB ALA 12 6.470 -5.357 4.536 95 3HB ALA 12 1HB ALA 12 6.412 -4.722 2.888 96 H PHE 13 H PHE 13 3.031 -4.496 2.763 97 HA PHE 13 HA PHE 13 3.332 -2.854 0.440 98 1HB PHE 13 2HB PHE 13 1.840 -4.789 0.465 99 2HB PHE 13 1HB PHE 13 0.937 -4.140 1.825 100 HD1 PHE 13 HD1 PHE 13 -1.226 -3.589 1.136 101 HD2 PHE 13 HD2 PHE 13 2.099 -2.605 -1.394 102 HE1 PHE 13 HE1 PHE 13 -2.763 -2.547 -0.480 103 HE2 PHE 13 HE2 PHE 13 0.553 -1.565 -3.002 104 HZ PHE 13 HZ PHE 13 -1.876 -1.544 -2.537 105 H TYR 14 H TYR 14 1.140 -2.476 3.230 106 HA TYR 14 HA TYR 14 0.124 0.096 2.722 107 1HB TYR 14 2HB TYR 14 -0.610 -1.536 4.410 108 2HB TYR 14 1HB TYR 14 0.844 -1.210 5.351 109 HD1 TYR 14 HD1 TYR 14 -2.276 0.323 4.008 110 HD2 TYR 14 HD2 TYR 14 1.037 0.740 6.700 111 HE1 TYR 14 HE1 TYR 14 -3.391 2.155 5.074 112 HE2 TYR 14 HE2 TYR 14 -0.084 2.660 7.767 113 HH TYR 14 HH TYR 14 -3.168 3.283 7.643 114 H GLU 15 H GLU 15 2.959 -0.757 4.817 115 HA GLU 15 HA GLU 15 3.757 1.914 5.411 116 1HB GLU 15 2HB GLU 15 5.288 -0.694 5.219 117 2HB GLU 15 1HB GLU 15 5.984 0.795 5.864 118 1HG GLU 15 2HG GLU 15 3.392 0.309 7.071 119 2HG GLU 15 1HG GLU 15 4.426 -1.104 7.270 120 H ILE 16 H ILE 16 4.753 -0.236 2.673 121 HA ILE 16 HA ILE 16 6.651 1.534 1.449 122 HB ILE 16 HB ILE 16 4.839 -0.713 0.605 123 1HG1 ILE 16 2HG1 ILE 16 7.709 -0.502 -0.143 124 2HG1 ILE 16 1HG1 ILE 16 7.363 -0.548 1.581 125 1HG2 ILE 16 3HG2 ILE 16 6.149 1.183 -1.331 126 2HG2 ILE 16 2HG2 ILE 16 5.894 -0.514 -1.746 127 3HG2 ILE 16 1HG2 ILE 16 4.516 0.518 -1.372 128 1HD1 ILE 16 1HD1 ILE 16 5.838 -2.510 0.015 129 2HD1 ILE 16 3HD1 ILE 16 7.600 -2.753 -0.025 130 3HD1 ILE 16 2HD1 ILE 16 6.752 -2.710 1.520 131 H LEU 17 H LEU 17 3.110 1.291 1.032 132 HA LEU 17 HA LEU 17 2.821 3.565 -0.766 133 1HB LEU 17 2HB LEU 17 0.871 2.224 1.141 134 2HB LEU 17 1HB LEU 17 0.422 3.359 -0.124 135 HG LEU 17 HG LEU 17 2.059 1.160 -1.139 136 1HD1 LEU 17 3HD1 LEU 17 0.042 0.482 0.750 137 2HD1 LEU 17 2HD1 LEU 17 -0.570 0.091 -0.868 138 3HD1 LEU 17 1HD1 LEU 17 0.955 -0.589 -0.310 139 1HD2 LEU 17 3HD2 LEU 17 0.452 2.905 -2.302 140 2HD2 LEU 17 2HD2 LEU 17 0.582 1.229 -2.898 141 3HD2 LEU 17 1HD2 LEU 17 -0.782 1.680 -1.849 142 H HIS 18 H HIS 18 2.697 3.246 2.805 143 HA HIS 18 HA HIS 18 1.865 6.060 3.150 144 1HB HIS 18 2HB HIS 18 2.374 3.705 4.975 145 2HB HIS 18 1HB HIS 18 2.029 5.311 5.614 146 HD1 HIS 18 HD1 HIS 18 -0.400 6.177 5.421 147 HD2 HIS 18 HD2 HIS 18 0.128 2.487 3.599 148 HE1 HIS 18 HE1 HIS 18 -2.685 5.258 4.764 149 H LEU 19 H LEU 19 4.932 4.707 2.610 150 HA LEU 19 HA LEU 19 6.469 6.132 4.623 151 1HB LEU 19 2HB LEU 19 7.010 4.694 2.038 152 2HB LEU 19 1HB LEU 19 8.278 5.729 2.694 153 HG LEU 19 HG LEU 19 6.903 3.538 4.282 154 1HD1 LEU 19 3HD1 LEU 19 9.390 3.530 2.585 155 2HD1 LEU 19 2HD1 LEU 19 9.269 2.470 3.992 156 3HD1 LEU 19 1HD1 LEU 19 8.105 2.325 2.673 157 1HD2 LEU 19 3HD2 LEU 19 8.399 5.707 5.157 158 2HD2 LEU 19 2HD2 LEU 19 8.131 4.211 6.052 159 3HD2 LEU 19 1HD2 LEU 19 9.585 4.405 5.075 160 HA PRO 20 HA PRO 20 5.731 10.179 2.896 161 1HB PRO 20 2HB PRO 20 7.621 11.531 4.360 162 2HB PRO 20 1HB PRO 20 6.036 11.041 4.992 163 1HG PRO 20 2HG PRO 20 8.685 9.686 5.282 164 2HG PRO 20 1HG PRO 20 7.442 9.997 6.507 165 1HD PRO 20 1HD PRO 20 7.686 7.589 5.382 166 2HD PRO 20 2HD PRO 20 6.086 8.263 5.766 167 H ASN 21 H ASN 21 8.863 8.533 2.599 168 HA ASN 21 HA ASN 21 9.652 10.594 0.567 169 1HB ASN 21 2HB ASN 21 11.266 8.803 2.390 170 2HB ASN 21 1HB ASN 21 11.987 9.758 1.098 171 1HD2 ASN 21 1HD2 ASN 21 11.253 9.871 4.390 172 2HD2 ASN 21 2HD2 ASN 21 11.225 11.556 4.586 173 H LEU 22 H LEU 22 8.104 7.752 0.474 174 HA LEU 22 HA LEU 22 9.814 6.426 -1.560 175 1HB LEU 22 2HB LEU 22 7.321 5.717 -0.018 176 2HB LEU 22 1HB LEU 22 7.670 4.860 -1.513 177 HG LEU 22 HG LEU 22 9.103 4.761 1.115 178 1HD1 LEU 22 3HD1 LEU 22 8.310 2.851 -1.080 179 2HD1 LEU 22 2HD1 LEU 22 9.432 2.366 0.196 180 3HD1 LEU 22 1HD1 LEU 22 7.788 2.861 0.606 181 1HD2 LEU 22 1HD2 LEU 22 10.462 4.431 -1.574 182 2HD2 LEU 22 3HD2 LEU 22 10.921 5.538 -0.266 183 3HD2 LEU 22 2HD2 LEU 22 11.111 3.791 -0.060 184 H ASN 23 H ASN 23 9.351 6.447 -3.706 185 HA ASN 23 HA ASN 23 7.029 8.127 -4.593 186 1HB ASN 23 2HB ASN 23 8.504 8.401 -6.700 187 2HB ASN 23 1HB ASN 23 9.000 9.245 -5.251 188 1HD2 ASN 23 1HD2 ASN 23 10.106 7.154 -7.704 189 2HD2 ASN 23 2HD2 ASN 23 11.535 6.637 -6.953 190 H GLU 24 H GLU 24 6.735 7.469 -7.171 191 HA GLU 24 HA GLU 24 5.356 4.955 -7.108 192 1HB GLU 24 2HB GLU 24 6.308 6.776 -9.344 193 2HB GLU 24 1HB GLU 24 5.304 5.358 -9.643 194 1HG GLU 24 2HG GLU 24 4.081 6.769 -7.502 195 2HG GLU 24 1HG GLU 24 4.503 7.972 -8.716 196 H GLU 25 H GLU 25 8.605 5.793 -8.398 197 HA GLU 25 HA GLU 25 9.162 3.234 -9.589 198 1HB GLU 25 2HB GLU 25 10.415 5.388 -9.911 199 2HB GLU 25 1HB GLU 25 11.066 5.206 -8.285 200 1HG GLU 25 2HG GLU 25 11.996 2.966 -8.991 201 2HG GLU 25 1HG GLU 25 11.508 3.352 -10.640 202 H GLN 26 H GLN 26 9.879 4.509 -6.310 203 HA GLN 26 HA GLN 26 11.083 2.024 -5.346 204 1HB GLN 26 2HB GLN 26 10.005 4.416 -3.819 205 2HB GLN 26 1HB GLN 26 11.152 3.223 -3.217 206 1HG GLN 26 2HG GLN 26 11.650 5.101 -5.554 207 2HG GLN 26 1HG GLN 26 12.288 5.310 -3.932 208 1HE2 GLN 26 1HE2 GLN 26 12.715 3.579 -6.950 209 2HE2 GLN 26 2HE2 GLN 26 14.105 2.727 -6.481 210 H ARG 27 H ARG 27 7.996 3.666 -4.476 211 HA ARG 27 HA ARG 27 6.973 1.607 -2.805 212 1HB ARG 27 2HB ARG 27 6.093 3.889 -2.875 213 2HB ARG 27 1HB ARG 27 5.587 3.678 -4.548 214 1HG ARG 27 2HG ARG 27 4.090 1.795 -3.753 215 2HG ARG 27 1HG ARG 27 4.448 2.311 -2.106 216 1HD ARG 27 2HD ARG 27 2.395 3.406 -2.746 217 2HD ARG 27 1HD ARG 27 3.667 4.635 -2.807 218 HE ARG 27 HE ARG 27 2.885 3.121 -5.274 219 1HH1 ARG 27 1HH1 ARG 27 1.263 4.953 -6.049 220 2HH1 ARG 27 2HH1 ARG 27 2.092 6.441 -6.358 221 1HH2 ARG 27 1HH2 ARG 27 4.948 5.535 -4.598 222 2HH2 ARG 27 2HH2 ARG 27 4.181 6.773 -5.528 223 H ASN 28 H ASN 28 6.247 2.207 -6.319 224 HA ASN 28 HA ASN 28 4.393 0.010 -6.593 225 1HB ASN 28 2HB ASN 28 6.096 1.267 -8.735 226 2HB ASN 28 1HB ASN 28 4.600 0.417 -8.985 227 1HD2 ASN 28 1HD2 ASN 28 4.592 2.857 -10.098 228 2HD2 ASN 28 2HD2 ASN 28 3.743 3.987 -9.165 229 H ALA 29 H ALA 29 7.917 0.290 -7.254 230 HA ALA 29 HA ALA 29 8.343 -2.344 -8.331 231 1HB ALA 29 3HB ALA 29 9.938 -0.425 -8.287 232 2HB ALA 29 1HB ALA 29 10.647 -1.920 -7.674 233 3HB ALA 29 2HB ALA 29 10.118 -0.671 -6.546 234 H PHE 30 H PHE 30 8.203 -1.074 -5.020 235 HA PHE 30 HA PHE 30 8.984 -3.452 -3.627 236 1HB PHE 30 2HB PHE 30 7.432 -0.946 -3.026 237 2HB PHE 30 1HB PHE 30 7.522 -2.230 -1.823 238 HD1 PHE 30 HD1 PHE 30 8.706 0.551 -1.504 239 HD2 PHE 30 HD2 PHE 30 10.410 -3.105 -2.967 240 HE1 PHE 30 HE1 PHE 30 10.947 1.281 -0.777 241 HE2 PHE 30 HE2 PHE 30 12.623 -2.376 -2.245 242 HZ PHE 30 HZ PHE 30 12.900 -0.226 -1.141 243 H ILE 31 H ILE 31 5.832 -2.175 -4.595 244 HA ILE 31 HA ILE 31 4.282 -4.320 -3.485 245 HB ILE 31 HB ILE 31 3.857 -2.294 -5.690 246 1HG1 ILE 31 2HG1 ILE 31 2.607 -2.433 -2.977 247 2HG1 ILE 31 1HG1 ILE 31 4.206 -1.739 -3.173 248 1HG2 ILE 31 3HG2 ILE 31 2.266 -4.605 -5.017 249 2HG2 ILE 31 2HG2 ILE 31 1.408 -3.106 -4.669 250 3HG2 ILE 31 1HG2 ILE 31 2.021 -3.412 -6.294 251 1HD1 ILE 31 3HD1 ILE 31 1.752 -0.854 -4.708 252 2HD1 ILE 31 2HD1 ILE 31 2.383 -0.056 -3.247 253 3HD1 ILE 31 1HD1 ILE 31 3.362 -0.092 -4.717 254 H GLN 32 H GLN 32 6.225 -4.054 -6.469 255 HA GLN 32 HA GLN 32 5.090 -6.438 -7.757 256 1HB GLN 32 2HB GLN 32 7.634 -4.805 -8.082 257 2HB GLN 32 1HB GLN 32 7.272 -6.201 -9.095 258 1HG GLN 32 2HG GLN 32 5.231 -5.176 -9.882 259 2HG GLN 32 1HG GLN 32 5.421 -3.824 -8.768 260 1HE2 GLN 32 1HE2 GLN 32 6.844 -5.337 -11.692 261 2HE2 GLN 32 2HE2 GLN 32 7.666 -3.943 -12.202 262 H SER 33 H SER 33 8.162 -5.776 -5.982 263 HA SER 33 HA SER 33 9.055 -8.510 -5.759 264 1HB SER 33 2HB SER 33 10.498 -7.467 -3.948 265 2HB SER 33 1HB SER 33 10.597 -6.707 -5.532 266 HG SER 33 HG SER 33 10.130 -4.979 -4.410 267 H LEU 34 H LEU 34 6.864 -6.571 -3.824 268 HA LEU 34 HA LEU 34 6.802 -8.342 -1.500 269 1HB LEU 34 2HB LEU 34 6.529 -5.860 -1.542 270 2HB LEU 34 1HB LEU 34 5.025 -6.059 -2.427 271 HG LEU 34 HG LEU 34 4.229 -7.462 -0.439 272 1HD1 LEU 34 3HD1 LEU 34 6.739 -6.236 0.684 273 2HD1 LEU 34 2HD1 LEU 34 5.406 -6.795 1.694 274 3HD1 LEU 34 1HD1 LEU 34 6.274 -7.936 0.665 275 1HD2 LEU 34 1HD2 LEU 34 3.793 -4.950 -0.992 276 2HD2 LEU 34 3HD2 LEU 34 3.415 -5.544 0.619 277 3HD2 LEU 34 2HD2 LEU 34 4.899 -4.640 0.347 278 H LYS 35 H LYS 35 4.500 -7.636 -4.206 279 HA LYS 35 HA LYS 35 2.506 -9.560 -3.329 280 1HB LYS 35 2HB LYS 35 2.979 -7.754 -5.636 281 2HB LYS 35 1HB LYS 35 2.020 -9.146 -6.015 282 1HG LYS 35 2HG LYS 35 0.969 -8.272 -3.596 283 2HG LYS 35 1HG LYS 35 1.269 -6.804 -4.528 284 1HD LYS 35 2HD LYS 35 -0.200 -9.217 -5.616 285 2HD LYS 35 1HD LYS 35 -1.001 -7.815 -4.911 286 1HE LYS 35 2HE LYS 35 -0.881 -6.774 -6.917 287 2HE LYS 35 1HE LYS 35 0.890 -6.825 -6.809 288 1HZ LYS 35 2HZ LYS 35 -0.818 -9.082 -7.746 289 2HZ LYS 35 1HZ LYS 35 0.035 -8.030 -8.769 290 3HZ LYS 35 3HZ LYS 35 0.883 -9.048 -7.714 291 H ASP 36 H ASP 36 5.295 -9.754 -5.550 292 HA ASP 36 HA ASP 36 4.645 -12.502 -6.395 293 1HB ASP 36 2HB ASP 36 7.052 -10.695 -6.811 294 2HB ASP 36 1HB ASP 36 6.844 -12.261 -7.587 295 H ASP 37 H ASP 37 6.972 -10.956 -4.122 296 HA ASP 37 HA ASP 37 7.787 -13.702 -3.208 297 1HB ASP 37 2HB ASP 37 9.424 -11.946 -4.282 298 2HB ASP 37 1HB ASP 37 9.366 -11.189 -2.690 299 HA PRO 38 HA PRO 38 5.434 -12.202 0.401 300 1HB PRO 38 2HB PRO 38 5.159 -14.671 1.550 301 2HB PRO 38 1HB PRO 38 4.119 -14.086 0.235 302 1HG PRO 38 2HG PRO 38 6.486 -15.892 0.093 303 2HG PRO 38 1HG PRO 38 4.915 -16.026 -0.716 304 1HD PRO 38 1HD PRO 38 7.094 -15.095 -1.983 305 2HD PRO 38 2HD PRO 38 5.459 -14.486 -2.327 306 H SER 39 H SER 39 8.184 -14.533 0.565 307 HA SER 39 HA SER 39 8.791 -14.122 3.344 308 1HB SER 39 2HB SER 39 10.806 -15.350 2.829 309 2HB SER 39 1HB SER 39 9.512 -16.021 1.848 310 HG SER 39 HG SER 39 10.342 -15.033 0.077 311 H GLN 40 H GLN 40 9.830 -12.311 0.449 312 HA GLN 40 HA GLN 40 11.875 -10.772 1.888 313 1HB GLN 40 2HB GLN 40 11.698 -11.385 -0.635 314 2HB GLN 40 1HB GLN 40 10.546 -10.051 -0.737 315 1HG GLN 40 2HG GLN 40 12.339 -8.601 0.371 316 2HG GLN 40 1HG GLN 40 13.459 -9.924 0.069 317 1HE2 GLN 40 1HE2 GLN 40 13.813 -7.357 -1.168 318 2HE2 GLN 40 2HE2 GLN 40 13.559 -7.530 -2.837 319 H SER 41 H SER 41 8.438 -10.577 1.882 320 HA SER 41 HA SER 41 7.830 -7.886 1.558 321 1HB SER 41 2HB SER 41 5.880 -8.373 2.969 322 2HB SER 41 1HB SER 41 6.240 -9.747 1.933 323 HG SER 41 HG SER 41 6.641 -10.898 3.651 324 H ALA 42 H ALA 42 8.841 -9.287 4.786 325 HA ALA 42 HA ALA 42 8.692 -6.759 6.167 326 1HB ALA 42 1HB ALA 42 10.564 -9.102 6.522 327 2HB ALA 42 2HB ALA 42 8.973 -8.928 7.276 328 3HB ALA 42 3HB ALA 42 10.288 -7.830 7.711 329 H ASN 43 H ASN 43 11.430 -8.392 4.518 330 HA ASN 43 HA ASN 43 13.453 -6.413 4.876 331 1HB ASN 43 2HB ASN 43 12.867 -8.710 3.139 332 2HB ASN 43 1HB ASN 43 13.834 -7.460 2.341 333 1HD2 ASN 43 1HD2 ASN 43 13.812 -8.721 5.755 334 2HD2 ASN 43 2HD2 ASN 43 15.474 -9.054 5.786 335 H LEU 44 H LEU 44 10.847 -6.786 2.495 336 HA LEU 44 HA LEU 44 11.575 -4.651 0.731 337 1HB LEU 44 2HB LEU 44 9.060 -6.145 1.389 338 2HB LEU 44 1HB LEU 44 9.041 -4.809 0.236 339 HG LEU 44 HG LEU 44 10.894 -7.185 0.101 340 1HD1 LEU 44 2HD1 LEU 44 8.273 -7.279 -0.341 341 2HD1 LEU 44 1HD1 LEU 44 8.777 -6.640 -1.907 342 3HD1 LEU 44 3HD1 LEU 44 9.420 -8.183 -1.334 343 1HD2 LEU 44 2HD2 LEU 44 10.892 -4.535 -1.078 344 2HD2 LEU 44 1HD2 LEU 44 12.072 -5.848 -1.238 345 3HD2 LEU 44 3HD2 LEU 44 10.689 -5.793 -2.342 346 H LEU 45 H LEU 45 9.461 -4.815 3.594 347 HA LEU 45 HA LEU 45 8.803 -1.987 3.404 348 1HB LEU 45 2HB LEU 45 7.416 -3.369 4.722 349 2HB LEU 45 1HB LEU 45 8.775 -4.026 5.628 350 HG LEU 45 HG LEU 45 9.139 -1.935 6.750 351 1HD1 LEU 45 1HD1 LEU 45 7.190 -0.848 4.704 352 2HD1 LEU 45 3HD1 LEU 45 7.558 0.019 6.192 353 3HD1 LEU 45 2HD1 LEU 45 8.840 -0.309 5.028 354 1HD2 LEU 45 3HD2 LEU 45 7.120 -3.446 7.339 355 2HD2 LEU 45 2HD2 LEU 45 7.186 -1.831 8.047 356 3HD2 LEU 45 1HD2 LEU 45 6.138 -2.147 6.664 357 H ALA 46 H ALA 46 11.262 -3.878 5.257 358 HA ALA 46 HA ALA 46 12.606 -1.717 6.558 359 1HB ALA 46 3HB ALA 46 13.381 -4.391 5.367 360 2HB ALA 46 2HB ALA 46 14.655 -3.316 5.963 361 3HB ALA 46 1HB ALA 46 13.391 -3.884 7.066 362 H GLU 47 H GLU 47 13.180 -3.013 3.214 363 HA GLU 47 HA GLU 47 15.269 -1.090 2.677 364 1HB GLU 47 2HB GLU 47 15.039 -1.868 0.325 365 2HB GLU 47 1HB GLU 47 15.236 -3.184 1.470 366 1HG GLU 47 2HG GLU 47 12.716 -3.373 1.412 367 2HG GLU 47 1HG GLU 47 12.789 -2.322 0.002 368 H ALA 48 H ALA 48 11.705 -1.162 2.194 369 HA ALA 48 HA ALA 48 11.557 1.343 0.772 370 1HB ALA 48 2HB ALA 48 9.883 -0.587 1.226 371 2HB ALA 48 1HB ALA 48 9.597 0.222 2.773 372 3HB ALA 48 3HB ALA 48 9.243 1.055 1.252 373 H LYS 49 H LYS 49 11.666 0.438 4.223 374 HA LYS 49 HA LYS 49 11.243 3.024 5.438 375 1HB LYS 49 2HB LYS 49 12.618 0.433 6.213 376 2HB LYS 49 1HB LYS 49 12.470 1.747 7.349 377 1HG LYS 49 2HG LYS 49 10.224 0.230 6.025 378 2HG LYS 49 1HG LYS 49 10.693 0.131 7.712 379 1HD LYS 49 2HD LYS 49 10.238 2.656 7.783 380 2HD LYS 49 1HD LYS 49 9.409 2.411 6.242 381 1HE LYS 49 2HE LYS 49 7.612 1.495 7.262 382 2HE LYS 49 1HE LYS 49 8.641 0.383 8.186 383 1HZ LYS 49 1HZ LYS 49 8.199 3.261 8.829 384 2HZ LYS 49 3HZ LYS 49 7.481 1.957 9.643 385 3HZ LYS 49 2HZ LYS 49 9.164 2.178 9.717 386 H LYS 50 H LYS 50 13.983 1.102 4.417 387 HA LYS 50 HA LYS 50 16.189 2.749 5.167 388 1HB LYS 50 2HB LYS 50 16.584 0.479 4.660 389 2HB LYS 50 1HB LYS 50 15.519 0.522 3.275 390 1HG LYS 50 2HG LYS 50 17.383 2.147 2.295 391 2HG LYS 50 1HG LYS 50 18.396 1.279 3.452 392 1HD LYS 50 2HD LYS 50 16.558 -0.143 1.488 393 2HD LYS 50 1HD LYS 50 18.250 0.225 1.126 394 1HE LYS 50 2HE LYS 50 18.895 -1.034 3.235 395 2HE LYS 50 1HE LYS 50 17.200 -1.541 3.371 396 1HZ LYS 50 1HZ LYS 50 17.342 -2.404 1.086 397 2HZ LYS 50 3HZ LYS 50 18.990 -1.994 1.030 398 3HZ LYS 50 2HZ LYS 50 18.444 -3.178 2.119 399 H LEU 51 H LEU 51 14.155 2.560 2.242 400 HA LEU 51 HA LEU 51 15.594 4.555 0.692 401 1HB LEU 51 2HB LEU 51 13.105 2.954 0.593 402 2HB LEU 51 1HB LEU 51 13.021 4.483 -0.267 403 HG LEU 51 HG LEU 51 14.564 3.838 -1.843 404 1HD1 LEU 51 2HD1 LEU 51 15.753 2.179 0.359 405 2HD1 LEU 51 1HD1 LEU 51 16.136 1.805 -1.322 406 3HD1 LEU 51 3HD1 LEU 51 16.532 3.394 -0.657 407 1HD2 LEU 51 2HD2 LEU 51 13.091 1.478 -0.779 408 2HD2 LEU 51 1HD2 LEU 51 12.938 2.281 -2.342 409 3HD2 LEU 51 3HD2 LEU 51 14.301 1.203 -2.036 410 H ASN 52 H ASN 52 12.846 4.600 2.918 411 HA ASN 52 HA ASN 52 11.868 7.215 2.481 412 1HB ASN 52 2HB ASN 52 10.874 5.333 3.833 413 2HB ASN 52 1HB ASN 52 12.049 5.695 5.097 414 1HD2 ASN 52 1HD2 ASN 52 11.486 7.315 6.566 415 2HD2 ASN 52 2HD2 ASN 52 10.188 8.388 6.360 416 H ASP 53 H ASP 53 14.441 6.055 4.689 417 HA ASP 53 HA ASP 53 15.068 8.746 5.697 418 1HB ASP 53 2HB ASP 53 16.518 6.084 5.910 419 2HB ASP 53 1HB ASP 53 16.889 7.522 6.856 420 H ALA 54 H ALA 54 16.527 6.480 3.340 421 HA ALA 54 HA ALA 54 18.907 8.024 2.782 422 1HB ALA 54 1HB ALA 54 17.374 6.038 1.068 423 2HB ALA 54 3HB ALA 54 19.063 6.497 0.854 424 3HB ALA 54 2HB ALA 54 18.567 5.606 2.294 425 H GLN 55 H GLN 55 15.705 7.852 1.191 426 HA GLN 55 HA GLN 55 16.374 9.971 -0.754 427 1HB GLN 55 2HB GLN 55 13.804 8.495 -0.110 428 2HB GLN 55 1HB GLN 55 14.052 9.541 -1.503 429 1HG GLN 55 2HG GLN 55 15.854 8.046 -2.313 430 2HG GLN 55 1HG GLN 55 15.598 6.985 -0.924 431 1HE2 GLN 55 1HE2 GLN 55 12.905 6.690 -0.718 432 2HE2 GLN 55 2HE2 GLN 55 12.229 6.089 -2.152 433 H ALA 56 H ALA 56 15.504 10.030 2.516 434 HA ALA 56 HA ALA 56 13.451 12.037 2.622 435 1HB ALA 56 2HB ALA 56 15.193 12.199 4.877 436 2HB ALA 56 1HB ALA 56 13.617 11.416 4.780 437 3HB ALA 56 3HB ALA 56 15.079 10.500 4.409 438 HA PRO 57 HA PRO 57 15.633 15.731 1.811 439 1HB PRO 57 2HB PRO 57 14.235 17.498 3.371 440 2HB PRO 57 1HB PRO 57 13.602 16.817 1.858 441 1HG PRO 57 2HG PRO 57 13.048 16.003 4.669 442 2HG PRO 57 1HG PRO 57 11.938 16.147 3.298 443 1HD PRO 57 1HD PRO 57 12.920 13.773 4.154 444 2HD PRO 57 2HD PRO 57 12.495 14.089 2.457 445 H LYS 58 H LYS 58 15.184 14.777 5.209 446 HA LYS 58 HA LYS 58 17.818 16.046 5.869 447 1HB LYS 58 2HB LYS 58 15.836 17.370 6.656 448 2HB LYS 58 1HB LYS 58 15.319 15.974 7.603 449 1HG LYS 58 2HG LYS 58 16.516 17.322 9.141 450 2HG LYS 58 1HG LYS 58 17.673 16.076 8.671 451 1HD LYS 58 2HD LYS 58 18.629 17.609 6.980 452 2HD LYS 58 1HD LYS 58 17.484 18.855 7.475 453 1HE LYS 58 2HE LYS 58 19.334 19.459 8.772 454 2HE LYS 58 1HE LYS 58 18.530 18.343 9.893 455 1HZ LYS 58 2HZ LYS 58 19.855 16.525 8.982 456 2HZ LYS 58 1HZ LYS 58 20.639 17.598 7.921 457 3HZ LYS 58 3HZ LYS 58 20.865 17.746 9.595 458 H1 VAL 1 1H VAL 1 -1.521 -5.012 -23.223 459 H2 VAL 1 3H VAL 1 -1.616 -3.426 -23.819 460 H3 VAL 1 2H VAL 1 -0.106 -4.105 -23.455 461 HA VAL 1 HA VAL 1 -0.608 -2.635 -21.671 462 HB VAL 1 HB VAL 1 -2.798 -2.981 -20.424 463 1HG1 VAL 1 2HG1 VAL 1 -2.327 -1.234 -22.262 464 2HG1 VAL 1 1HG1 VAL 1 -3.316 -2.259 -23.304 465 3HG1 VAL 1 3HG1 VAL 1 -4.011 -1.550 -21.847 466 1HG2 VAL 1 1HG2 VAL 1 -3.208 -5.294 -21.393 467 2HG2 VAL 1 3HG2 VAL 1 -4.595 -4.205 -21.453 468 3HG2 VAL 1 2HG2 VAL 1 -3.646 -4.501 -22.908 469 H ASP 2 H ASP 2 -0.101 -3.176 -19.471 470 HA ASP 2 HA ASP 2 0.967 -5.864 -19.079 471 1HB ASP 2 2HB ASP 2 1.781 -4.944 -16.981 472 2HB ASP 2 1HB ASP 2 1.970 -3.713 -18.224 473 H ASN 3 H ASN 3 0.118 -7.539 -17.849 474 HA ASN 3 HA ASN 3 -2.672 -7.178 -16.793 475 1HB ASN 3 2HB ASN 3 -1.162 -9.587 -17.874 476 2HB ASN 3 1HB ASN 3 -2.799 -9.659 -17.225 477 1HD2 ASN 3 1HD2 ASN 3 -4.329 -7.865 -18.340 478 2HD2 ASN 3 2HD2 ASN 3 -4.168 -7.744 -20.025 479 H LYS 4 H LYS 4 -1.015 -6.267 -14.970 480 HA LYS 4 HA LYS 4 -0.675 -8.476 -12.972 481 1HB LYS 4 2HB LYS 4 1.475 -7.419 -12.324 482 2HB LYS 4 1HB LYS 4 1.488 -7.912 -14.014 483 1HG LYS 4 2HG LYS 4 0.820 -5.535 -14.604 484 2HG LYS 4 1HG LYS 4 1.113 -5.108 -12.921 485 1HD LYS 4 2HD LYS 4 3.444 -6.010 -13.169 486 2HD LYS 4 1HD LYS 4 3.122 -6.241 -14.887 487 1HE LYS 4 2HE LYS 4 2.848 -3.886 -15.255 488 2HE LYS 4 1HE LYS 4 2.795 -3.553 -13.515 489 1HZ LYS 4 2HZ LYS 4 5.066 -4.561 -13.381 490 2HZ LYS 4 1HZ LYS 4 5.105 -4.583 -15.081 491 3HZ LYS 4 3HZ LYS 4 5.003 -3.106 -14.255 492 H PHE 5 H PHE 5 -1.261 -7.928 -10.852 493 HA PHE 5 HA PHE 5 -2.905 -5.536 -10.518 494 1HB PHE 5 2HB PHE 5 -2.249 -8.006 -8.946 495 2HB PHE 5 1HB PHE 5 -3.127 -6.689 -8.195 496 HD1 PHE 5 HD1 PHE 5 -3.335 -9.517 -10.426 497 HD2 PHE 5 HD2 PHE 5 -5.276 -5.856 -9.296 498 HE1 PHE 5 HE1 PHE 5 -5.427 -10.290 -11.510 499 HE2 PHE 5 HE2 PHE 5 -7.363 -6.627 -10.380 500 HZ PHE 5 HZ PHE 5 -7.441 -8.845 -11.486 501 H ASN 6 H ASN 6 0.433 -6.152 -9.893 502 HA ASN 6 HA ASN 6 0.778 -4.646 -7.472 503 1HB ASN 6 2HB ASN 6 3.155 -4.541 -8.159 504 2HB ASN 6 1HB ASN 6 2.493 -6.156 -8.376 505 1HD2 ASN 6 1HD2 ASN 6 3.449 -3.200 -10.169 506 2HD2 ASN 6 2HD2 ASN 6 3.589 -3.975 -11.668 507 H LYS 7 H LYS 7 0.592 -3.663 -10.844 508 HA LYS 7 HA LYS 7 1.340 -0.899 -10.571 509 1HB LYS 7 2HB LYS 7 1.075 -2.269 -12.700 510 2HB LYS 7 1HB LYS 7 -0.672 -2.159 -12.461 511 1HG LYS 7 2HG LYS 7 -0.385 0.377 -12.422 512 2HG LYS 7 1HG LYS 7 1.269 0.113 -12.970 513 1HD LYS 7 2HD LYS 7 0.105 0.434 -14.985 514 2HD LYS 7 1HD LYS 7 0.173 -1.323 -14.849 515 1HE LYS 7 2HE LYS 7 -2.160 -0.321 -13.436 516 2HE LYS 7 1HE LYS 7 -2.161 0.257 -15.111 517 1HZ LYS 7 1HZ LYS 7 -1.637 -2.568 -14.331 518 2HZ LYS 7 3HZ LYS 7 -3.149 -1.991 -14.834 519 3HZ LYS 7 2HZ LYS 7 -1.833 -1.960 -15.906 520 H GLU 8 H GLU 8 -1.696 -2.635 -10.237 521 HA GLU 8 HA GLU 8 -3.408 -0.370 -9.862 522 1HB GLU 8 2HB GLU 8 -3.486 -3.320 -9.429 523 2HB GLU 8 1HB GLU 8 -4.722 -2.358 -8.622 524 1HG GLU 8 2HG GLU 8 -5.525 -1.479 -10.687 525 2HG GLU 8 1HG GLU 8 -4.116 -2.075 -11.570 526 H LEU 9 H LEU 9 -1.465 -2.272 -7.572 527 HA LEU 9 HA LEU 9 -2.604 -0.974 -5.229 528 1HB LEU 9 2HB LEU 9 0.146 -2.181 -5.359 529 2HB LEU 9 1HB LEU 9 -0.918 -2.042 -4.014 530 HG LEU 9 HG LEU 9 -1.608 -3.764 -6.370 531 1HD1 LEU 9 1HD1 LEU 9 0.257 -4.199 -4.147 532 2HD1 LEU 9 3HD1 LEU 9 -1.015 -5.427 -4.210 533 3HD1 LEU 9 2HD1 LEU 9 0.034 -5.168 -5.609 534 1HD2 LEU 9 2HD2 LEU 9 -2.678 -3.525 -3.533 535 2HD2 LEU 9 1HD2 LEU 9 -3.504 -2.962 -4.996 536 3HD2 LEU 9 3HD2 LEU 9 -3.236 -4.695 -4.725 537 H SER 10 H SER 10 -0.104 -0.224 -7.531 538 HA SER 10 HA SER 10 1.375 1.719 -6.023 539 1HB SER 10 2HB SER 10 2.502 1.288 -7.945 540 2HB SER 10 1HB SER 10 1.091 0.658 -8.736 541 HG SER 10 HG SER 10 1.763 3.412 -8.456 542 H VAL 11 H VAL 11 -1.301 1.997 -8.410 543 HA VAL 11 HA VAL 11 -1.778 4.851 -7.881 544 HB VAL 11 HB VAL 11 -3.414 2.825 -9.453 545 1HG1 VAL 11 2HG1 VAL 11 -3.178 5.836 -9.479 546 2HG1 VAL 11 1HG1 VAL 11 -3.831 4.942 -10.852 547 3HG1 VAL 11 3HG1 VAL 11 -4.628 4.853 -9.281 548 1HG2 VAL 11 3HG2 VAL 11 -0.990 4.446 -10.314 549 2HG2 VAL 11 2HG2 VAL 11 -1.095 2.685 -10.215 550 3HG2 VAL 11 1HG2 VAL 11 -2.044 3.563 -11.421 551 H ALA 12 H ALA 12 -3.777 1.887 -7.508 552 HA ALA 12 HA ALA 12 -5.924 3.081 -6.052 553 1HB ALA 12 3HB ALA 12 -5.722 0.804 -7.268 554 2HB ALA 12 1HB ALA 12 -6.662 0.844 -5.775 555 3HB ALA 12 2HB ALA 12 -5.006 0.211 -5.759 556 H GLY 13 H GLY 13 -3.138 1.251 -4.916 557 1HA GLY 13 1HA GLY 13 -2.110 1.087 -2.862 558 2HA GLY 13 2HA GLY 13 -3.712 1.303 -2.160 559 H ARG 14 H ARG 14 -1.321 3.330 -3.896 560 HA ARG 14 HA ARG 14 -0.780 4.974 -1.651 561 1HB ARG 14 2HB ARG 14 0.548 4.710 -3.783 562 2HB ARG 14 1HB ARG 14 -0.580 5.835 -4.543 563 1HG ARG 14 2HG ARG 14 1.282 7.134 -3.748 564 2HG ARG 14 1HG ARG 14 -0.075 7.458 -2.674 565 1HD ARG 14 2HD ARG 14 1.132 6.768 -0.899 566 2HD ARG 14 1HD ARG 14 1.374 5.184 -1.662 567 HE ARG 14 HE ARG 14 3.192 6.478 -3.028 568 1HH1 ARG 14 1HH1 ARG 14 2.713 8.859 -1.064 569 2HH1 ARG 14 2HH1 ARG 14 4.091 8.674 -0.032 570 1HH2 ARG 14 1HH2 ARG 14 4.827 5.454 -1.142 571 2HH2 ARG 14 2HH2 ARG 14 5.297 6.737 -0.075 572 H GLU 15 H GLU 15 -3.307 5.495 -4.194 573 HA GLU 15 HA GLU 15 -4.036 8.161 -3.305 574 1HB GLU 15 2HB GLU 15 -5.437 5.954 -4.831 575 2HB GLU 15 1HB GLU 15 -6.257 7.470 -4.457 576 1HG GLU 15 2HG GLU 15 -4.346 8.698 -5.537 577 2HG GLU 15 1HG GLU 15 -3.691 7.140 -6.038 578 H ILE 16 H ILE 16 -5.210 4.907 -2.474 579 HA ILE 16 HA ILE 16 -7.202 5.630 -0.518 580 HB ILE 16 HB ILE 16 -5.523 3.168 -1.138 581 1HG1 ILE 16 2HG1 ILE 16 -8.504 3.539 -1.433 582 2HG1 ILE 16 1HG1 ILE 16 -7.396 4.135 -2.664 583 1HG2 ILE 16 1HG2 ILE 16 -7.610 3.552 1.001 584 2HG2 ILE 16 3HG2 ILE 16 -7.381 1.971 0.240 585 3HG2 ILE 16 2HG2 ILE 16 -6.049 2.741 1.119 586 1HD1 ILE 16 2HD1 ILE 16 -6.500 1.554 -2.234 587 2HD1 ILE 16 1HD1 ILE 16 -8.249 1.394 -2.083 588 3HD1 ILE 16 3HD1 ILE 16 -7.551 2.073 -3.556 589 H VAL 17 H VAL 17 -3.702 5.347 -0.424 590 HA VAL 17 HA VAL 17 -3.307 5.208 2.440 591 HB VAL 17 HB VAL 17 -1.669 5.747 -0.024 592 1HG1 VAL 17 1HG1 VAL 17 -0.920 6.595 2.682 593 2HG1 VAL 17 3HG1 VAL 17 0.261 5.553 1.890 594 3HG1 VAL 17 2HG1 VAL 17 -0.243 7.057 1.117 595 1HG2 VAL 17 1HG2 VAL 17 -2.221 3.528 1.738 596 2HG2 VAL 17 3HG2 VAL 17 -1.453 3.553 0.136 597 3HG2 VAL 17 2HG2 VAL 17 -0.484 3.820 1.579 598 H THR 18 H THR 18 -3.357 7.967 0.096 599 HA THR 18 HA THR 18 -3.067 9.772 2.474 600 HB THR 18 HB THR 18 -1.078 9.470 1.032 601 HG1 THR 18 HG1 THR 18 -0.989 11.372 1.984 602 1HG2 THR 18 1HG2 THR 18 -3.028 10.134 -1.071 603 2HG2 THR 18 3HG2 THR 18 -1.516 11.035 -1.187 604 3HG2 THR 18 2HG2 THR 18 -1.495 9.272 -1.184 605 H LEU 19 H LEU 19 -5.752 9.090 0.730 606 HA LEU 19 HA LEU 19 -6.370 11.644 -0.491 607 1HB LEU 19 2HB LEU 19 -8.761 10.914 -0.200 608 2HB LEU 19 1HB LEU 19 -7.728 9.772 -1.031 609 HG LEU 19 HG LEU 19 -7.806 9.357 1.871 610 1HD1 LEU 19 3HD1 LEU 19 -10.265 9.653 0.246 611 2HD1 LEU 19 2HD1 LEU 19 -10.183 8.225 1.273 612 3HD1 LEU 19 1HD1 LEU 19 -10.028 9.828 1.983 613 1HD2 LEU 19 3HD2 LEU 19 -7.990 7.759 -0.673 614 2HD2 LEU 19 2HD2 LEU 19 -6.896 7.551 0.693 615 3HD2 LEU 19 1HD2 LEU 19 -8.571 7.031 0.824 616 HA PRO 20 HA PRO 20 -6.612 14.520 2.707 617 1HB PRO 20 2HB PRO 20 -8.747 16.084 1.992 618 2HB PRO 20 1HB PRO 20 -7.166 16.107 1.185 619 1HG PRO 20 2HG PRO 20 -9.662 14.656 0.406 620 2HG PRO 20 1HG PRO 20 -8.551 15.603 -0.600 621 1HD PRO 20 1HD PRO 20 -8.454 12.933 -0.570 622 2HD PRO 20 2HD PRO 20 -6.970 13.908 -0.685 623 H ASN 21 H ASN 21 -9.895 13.044 2.307 624 HA ASN 21 HA ASN 21 -10.568 13.986 5.070 625 1HB ASN 21 2HB ASN 21 -12.208 12.532 3.002 626 2HB ASN 21 1HB ASN 21 -12.824 13.202 4.492 627 1HD2 ASN 21 1HD2 ASN 21 -13.943 14.005 2.090 628 2HD2 ASN 21 2HD2 ASN 21 -13.521 15.620 1.767 629 H LEU 22 H LEU 22 -8.877 11.345 4.141 630 HA LEU 22 HA LEU 22 -10.441 9.300 5.622 631 1HB LEU 22 2HB LEU 22 -9.091 9.207 3.364 632 2HB LEU 22 1HB LEU 22 -7.740 8.904 4.451 633 HG LEU 22 HG LEU 22 -9.776 7.276 5.389 634 1HD1 LEU 22 2HD1 LEU 22 -10.876 7.765 3.138 635 2HD1 LEU 22 1HD1 LEU 22 -9.533 6.888 2.407 636 3HD1 LEU 22 3HD1 LEU 22 -10.621 6.068 3.519 637 1HD2 LEU 22 3HD2 LEU 22 -7.123 7.108 4.309 638 2HD2 LEU 22 2HD2 LEU 22 -7.921 6.042 5.463 639 3HD2 LEU 22 1HD2 LEU 22 -8.082 5.753 3.732 640 H ASN 23 H ASN 23 -9.379 7.948 7.292 641 HA ASN 23 HA ASN 23 -7.244 9.463 8.802 642 1HB ASN 23 2HB ASN 23 -8.197 8.562 10.863 643 2HB ASN 23 1HB ASN 23 -9.441 9.405 9.950 644 1HD2 ASN 23 1HD2 ASN 23 -11.258 8.202 10.760 645 2HD2 ASN 23 2HD2 ASN 23 -11.459 6.540 10.475 646 H ASP 24 H ASP 24 -5.628 8.113 9.927 647 HA ASP 24 HA ASP 24 -4.425 6.229 8.275 648 1HB ASP 24 2HB ASP 24 -2.909 5.763 10.147 649 2HB ASP 24 1HB ASP 24 -3.222 7.478 9.945 650 HA PRO 25 HA PRO 25 -6.042 2.475 10.792 651 1HB PRO 25 2HB PRO 25 -8.559 2.661 11.861 652 2HB PRO 25 1HB PRO 25 -7.077 2.989 12.781 653 1HG PRO 25 2HG PRO 25 -8.965 4.900 11.498 654 2HG PRO 25 1HG PRO 25 -8.152 5.000 13.068 655 1HD PRO 25 1HD PRO 25 -7.298 6.374 10.908 656 2HD PRO 25 2HD PRO 25 -6.203 5.776 12.163 657 H GLN 26 H GLN 26 -8.425 4.574 9.116 658 HA GLN 26 HA GLN 26 -9.798 2.308 7.908 659 1HB GLN 26 2HB GLN 26 -11.388 3.864 7.567 660 2HB GLN 26 1HB GLN 26 -10.376 4.938 8.500 661 1HG GLN 26 2HG GLN 26 -9.477 5.940 6.585 662 2HG GLN 26 1HG GLN 26 -10.185 4.728 5.519 663 1HE2 GLN 26 1HE2 GLN 26 -11.905 6.191 8.305 664 2HE2 GLN 26 2HE2 GLN 26 -13.078 6.970 7.371 665 H LYS 27 H LYS 27 -7.280 4.623 6.716 666 HA LYS 27 HA LYS 27 -7.224 3.672 4.018 667 1HB LYS 27 2HB LYS 27 -4.669 4.292 4.237 668 2HB LYS 27 1HB LYS 27 -5.902 5.540 4.209 669 1HG LYS 27 2HG LYS 27 -5.779 5.421 6.789 670 2HG LYS 27 1HG LYS 27 -4.283 4.559 6.533 671 1HD LYS 27 2HD LYS 27 -3.569 6.792 6.694 672 2HD LYS 27 1HD LYS 27 -3.688 6.551 4.960 673 1HE LYS 27 2HE LYS 27 -5.385 8.045 4.738 674 2HE LYS 27 1HE LYS 27 -6.210 7.461 6.191 675 1HZ LYS 27 1HZ LYS 27 -4.445 8.559 7.520 676 2HZ LYS 27 3HZ LYS 27 -3.824 9.233 6.091 677 3HZ LYS 27 2HZ LYS 27 -5.383 9.653 6.621 678 H LYS 28 H LYS 28 -5.644 2.439 6.966 679 HA LYS 28 HA LYS 28 -4.105 0.339 5.745 680 1HB LYS 28 2HB LYS 28 -5.295 0.952 8.436 681 2HB LYS 28 1HB LYS 28 -4.876 -0.734 8.153 682 1HG LYS 28 2HG LYS 28 -2.701 0.649 7.175 683 2HG LYS 28 1HG LYS 28 -3.117 1.555 8.614 684 1HD LYS 28 2HD LYS 28 -2.707 -0.289 9.999 685 2HD LYS 28 1HD LYS 28 -2.937 -1.444 8.683 686 1HE LYS 28 2HE LYS 28 -0.848 -0.690 7.613 687 2HE LYS 28 1HE LYS 28 -0.609 0.500 8.905 688 1HZ LYS 28 2HZ LYS 28 -0.966 -2.409 9.432 689 2HZ LYS 28 1HZ LYS 28 0.558 -1.678 9.263 690 3HZ LYS 28 3HZ LYS 28 -0.467 -1.210 10.528 691 H ALA 29 H ALA 29 -7.475 0.498 6.959 692 HA ALA 29 HA ALA 29 -8.317 -2.172 6.694 693 1HB ALA 29 1HB ALA 29 -10.481 -1.281 6.884 694 2HB ALA 29 3HB ALA 29 -9.480 -0.008 7.579 695 3HB ALA 29 2HB ALA 29 -10.083 0.146 5.930 696 H PHE 30 H PHE 30 -8.505 0.361 4.057 697 HA PHE 30 HA PHE 30 -9.387 -1.763 2.203 698 1HB PHE 30 2HB PHE 30 -8.509 0.624 0.801 699 2HB PHE 30 1HB PHE 30 -10.067 -0.166 0.791 700 HD1 PHE 30 HD1 PHE 30 -11.931 0.744 2.029 701 HD2 PHE 30 HD2 PHE 30 -7.945 2.278 2.506 702 HE1 PHE 30 HE1 PHE 30 -12.841 2.718 3.165 703 HE2 PHE 30 HE2 PHE 30 -8.893 4.269 3.679 704 HZ PHE 30 HZ PHE 30 -11.335 4.481 4.001 705 H ILE 31 H ILE 31 -6.282 -0.040 2.861 706 HA ILE 31 HA ILE 31 -4.938 -0.986 0.522 707 HB ILE 31 HB ILE 31 -4.037 -0.109 3.239 708 1HG1 ILE 31 2HG1 ILE 31 -4.322 0.945 0.506 709 2HG1 ILE 31 1HG1 ILE 31 -4.158 1.824 2.027 710 1HG2 ILE 31 2HG2 ILE 31 -2.552 -2.078 2.399 711 2HG2 ILE 31 1HG2 ILE 31 -2.094 -1.006 1.064 712 3HG2 ILE 31 3HG2 ILE 31 -1.717 -0.570 2.726 713 1HD1 ILE 31 2HD1 ILE 31 -1.825 0.487 0.684 714 2HD1 ILE 31 1HD1 ILE 31 -2.330 2.117 0.284 715 3HD1 ILE 31 3HD1 ILE 31 -1.813 1.746 1.931 716 H PHE 32 H PHE 32 -5.225 -2.430 3.778 717 HA PHE 32 HA PHE 32 -3.688 -4.778 3.241 718 1HB PHE 32 2HB PHE 32 -5.736 -3.892 5.260 719 2HB PHE 32 1HB PHE 32 -5.266 -5.592 5.232 720 HD1 PHE 32 HD1 PHE 32 -3.433 -2.186 4.928 721 HD2 PHE 32 HD2 PHE 32 -3.500 -6.203 6.721 722 HE1 PHE 32 HE1 PHE 32 -1.357 -1.762 6.121 723 HE2 PHE 32 HE2 PHE 32 -1.408 -5.668 7.839 724 HZ PHE 32 HZ PHE 32 -0.340 -3.517 7.517 725 H SER 33 H SER 33 -7.198 -4.084 2.752 726 HA SER 33 HA SER 33 -7.781 -6.777 1.741 727 1HB SER 33 2HB SER 33 -9.953 -5.822 1.196 728 2HB SER 33 1HB SER 33 -9.458 -5.203 2.764 729 HG SER 33 HG SER 33 -10.264 -3.581 1.348 730 H LEU 34 H LEU 34 -6.659 -3.717 0.328 731 HA LEU 34 HA LEU 34 -7.019 -4.295 -2.485 732 1HB LEU 34 2HB LEU 34 -6.554 -2.048 -1.523 733 2HB LEU 34 1HB LEU 34 -4.987 -2.589 -0.974 734 HG LEU 34 HG LEU 34 -4.624 -3.127 -3.506 735 1HD1 LEU 34 3HD1 LEU 34 -6.956 -1.216 -3.537 736 2HD1 LEU 34 2HD1 LEU 34 -5.822 -1.324 -4.884 737 3HD1 LEU 34 1HD1 LEU 34 -6.770 -2.734 -4.417 738 1HD2 LEU 34 1HD2 LEU 34 -3.756 -1.139 -1.881 739 2HD2 LEU 34 3HD2 LEU 34 -3.353 -1.195 -3.598 740 3HD2 LEU 34 2HD2 LEU 34 -4.681 -0.181 -3.039 741 H TRP 35 H TRP 35 -4.398 -4.880 -0.158 742 HA TRP 35 HA TRP 35 -2.466 -6.004 -1.952 743 1HB TRP 35 2HB TRP 35 -2.104 -5.165 0.371 744 2HB TRP 35 1HB TRP 35 -2.956 -6.585 0.982 745 HD1 TRP 35 HD1 TRP 35 -1.507 -8.660 1.366 746 HE1 TRP 35 HE1 TRP 35 0.784 -9.452 0.544 747 HE3 TRP 35 HE3 TRP 35 -0.402 -4.890 -1.847 748 HZ2 TRP 35 HZ2 TRP 35 2.847 -8.574 -1.236 749 HZ3 TRP 35 HZ3 TRP 35 1.726 -4.894 -3.105 750 HH2 TRP 35 HH2 TRP 35 3.334 -6.711 -2.803 751 H ASP 36 H ASP 36 -4.991 -7.538 0.101 752 HA ASP 36 HA ASP 36 -4.360 -10.262 -0.669 753 1HB ASP 36 2HB ASP 36 -5.549 -9.276 1.440 754 2HB ASP 36 1HB ASP 36 -6.996 -9.282 0.435 755 H ASP 37 H ASP 37 -6.888 -7.910 -1.648 756 HA ASP 37 HA ASP 37 -7.403 -9.610 -4.030 757 1HB ASP 37 2HB ASP 37 -9.525 -8.124 -2.439 758 2HB ASP 37 1HB ASP 37 -9.789 -9.291 -3.731 759 HA PRO 38 HA PRO 38 -6.569 -5.204 -5.276 760 1HB PRO 38 2HB PRO 38 -4.935 -5.796 -7.372 761 2HB PRO 38 1HB PRO 38 -4.366 -5.544 -5.716 762 1HG PRO 38 2HG PRO 38 -4.864 -8.105 -7.166 763 2HG PRO 38 1HG PRO 38 -3.539 -7.674 -6.072 764 1HD PRO 38 1HD PRO 38 -5.643 -9.188 -5.288 765 2HD PRO 38 2HD PRO 38 -4.777 -8.093 -4.184 766 H SER 39 H SER 39 -8.085 -7.984 -6.599 767 HA SER 39 HA SER 39 -8.787 -7.130 -9.258 768 1HB SER 39 2HB SER 39 -9.254 -9.302 -7.623 769 2HB SER 39 1HB SER 39 -10.834 -8.537 -7.635 770 HG SER 39 HG SER 39 -9.319 -9.577 -9.772 771 H GLN 40 H GLN 40 -9.979 -6.369 -6.024 772 HA GLN 40 HA GLN 40 -12.231 -4.664 -6.946 773 1HB GLN 40 2HB GLN 40 -11.135 -4.863 -4.132 774 2HB GLN 40 1HB GLN 40 -12.792 -4.582 -4.638 775 1HG GLN 40 2HG GLN 40 -12.833 -6.944 -5.520 776 2HG GLN 40 1HG GLN 40 -11.243 -7.168 -4.789 777 1HE2 GLN 40 1HE2 GLN 40 -14.465 -7.703 -4.161 778 2HE2 GLN 40 2HE2 GLN 40 -14.418 -7.673 -2.466 779 H SER 41 H SER 41 -9.042 -4.106 -7.199 780 HA SER 41 HA SER 41 -8.174 -1.974 -5.647 781 1HB SER 41 2HB SER 41 -6.779 -3.081 -7.171 782 2HB SER 41 1HB SER 41 -7.822 -2.701 -8.534 783 HG SER 41 HG SER 41 -6.629 -0.995 -8.766 784 H ALA 42 H ALA 42 -10.110 -1.698 -8.692 785 HA ALA 42 HA ALA 42 -10.248 1.187 -8.723 786 1HB ALA 42 3HB ALA 42 -12.145 -0.946 -9.788 787 2HB ALA 42 2HB ALA 42 -12.161 0.749 -10.273 788 3HB ALA 42 1HB ALA 42 -10.770 -0.263 -10.659 789 H ASN 43 H ASN 43 -12.414 -1.336 -7.389 790 HA ASN 43 HA ASN 43 -14.374 0.423 -6.259 791 1HB ASN 43 2HB ASN 43 -14.607 -2.032 -6.775 792 2HB ASN 43 1HB ASN 43 -13.556 -2.371 -5.402 793 1HD2 ASN 43 1HD2 ASN 43 -16.684 -0.764 -6.215 794 2HD2 ASN 43 2HD2 ASN 43 -17.380 -1.026 -4.691 795 H LEU 44 H LEU 44 -11.224 -0.780 -5.109 796 HA LEU 44 HA LEU 44 -11.569 -0.097 -2.308 797 1HB LEU 44 2HB LEU 44 -9.421 -0.925 -4.196 798 2HB LEU 44 1HB LEU 44 -8.909 -0.191 -2.677 799 HG LEU 44 HG LEU 44 -11.058 -2.234 -2.507 800 1HD1 LEU 44 3HD1 LEU 44 -8.654 -2.791 -3.934 801 2HD1 LEU 44 2HD1 LEU 44 -8.523 -3.559 -2.350 802 3HD1 LEU 44 1HD1 LEU 44 -9.885 -3.940 -3.394 803 1HD2 LEU 44 2HD2 LEU 44 -8.939 -0.966 -0.887 804 2HD2 LEU 44 1HD2 LEU 44 -10.500 -1.632 -0.393 805 3HD2 LEU 44 3HD2 LEU 44 -9.118 -2.707 -0.613 806 H LEU 45 H LEU 45 -9.843 1.460 -4.944 807 HA LEU 45 HA LEU 45 -9.010 3.839 -3.619 808 1HB LEU 45 2HB LEU 45 -8.713 2.693 -6.101 809 2HB LEU 45 1HB LEU 45 -9.802 4.030 -6.471 810 HG LEU 45 HG LEU 45 -7.133 4.233 -5.053 811 1HD1 LEU 45 1HD1 LEU 45 -7.552 3.921 -7.708 812 2HD1 LEU 45 3HD1 LEU 45 -7.704 5.675 -7.582 813 3HD1 LEU 45 2HD1 LEU 45 -6.226 4.875 -7.042 814 1HD2 LEU 45 2HD2 LEU 45 -9.391 6.150 -5.478 815 2HD2 LEU 45 1HD2 LEU 45 -8.287 5.993 -4.109 816 3HD2 LEU 45 3HD2 LEU 45 -7.746 6.773 -5.597 817 H ALA 46 H ALA 46 -11.976 2.971 -5.382 818 HA ALA 46 HA ALA 46 -13.336 5.512 -5.163 819 1HB ALA 46 2HB ALA 46 -13.949 3.695 -6.726 820 2HB ALA 46 1HB ALA 46 -14.316 2.645 -5.357 821 3HB ALA 46 3HB ALA 46 -15.311 4.067 -5.668 822 H GLU 47 H GLU 47 -13.300 2.516 -3.183 823 HA GLU 47 HA GLU 47 -15.165 3.241 -1.177 824 1HB GLU 47 2HB GLU 47 -14.124 0.968 -1.580 825 2HB GLU 47 1HB GLU 47 -12.624 1.588 -0.884 826 1HG GLU 47 2HG GLU 47 -13.950 0.351 0.802 827 2HG GLU 47 1HG GLU 47 -13.785 2.048 1.240 828 H ALA 48 H ALA 48 -11.707 3.920 -1.532 829 HA ALA 48 HA ALA 48 -11.190 5.088 1.031 830 1HB ALA 48 1HB ALA 48 -9.149 4.985 0.017 831 2HB ALA 48 2HB ALA 48 -9.600 6.371 -0.969 832 3HB ALA 48 3HB ALA 48 -9.907 4.721 -1.562 833 H LYS 49 H LYS 49 -12.093 6.578 -2.113 834 HA LYS 49 HA LYS 49 -12.401 9.284 -1.148 835 1HB LYS 49 2HB LYS 49 -13.590 7.771 -3.502 836 2HB LYS 49 1HB LYS 49 -13.649 9.525 -3.321 837 1HG LYS 49 2HG LYS 49 -11.159 9.579 -3.244 838 2HG LYS 49 1HG LYS 49 -11.131 7.837 -3.513 839 1HD LYS 49 2HD LYS 49 -12.444 8.236 -5.640 840 2HD LYS 49 1HD LYS 49 -12.182 9.964 -5.398 841 1HE LYS 49 2HE LYS 49 -9.781 8.167 -5.285 842 2HE LYS 49 1HE LYS 49 -10.480 8.526 -6.874 843 1HZ LYS 49 2HZ LYS 49 -9.740 10.554 -4.821 844 2HZ LYS 49 1HZ LYS 49 -8.845 10.204 -6.220 845 3HZ LYS 49 3HZ LYS 49 -10.391 10.885 -6.356 846 H LYS 50 H LYS 50 -14.761 6.620 -1.617 847 HA LYS 50 HA LYS 50 -17.133 8.056 -0.825 848 1HB LYS 50 2HB LYS 50 -16.310 5.135 -0.811 849 2HB LYS 50 1HB LYS 50 -17.944 5.660 -0.410 850 1HG LYS 50 2HG LYS 50 -18.370 6.443 -2.582 851 2HG LYS 50 1HG LYS 50 -16.657 6.579 -2.973 852 1HD LYS 50 2HD LYS 50 -17.536 4.648 -4.142 853 2HD LYS 50 1HD LYS 50 -16.495 4.070 -2.844 854 1HE LYS 50 2HE LYS 50 -19.248 4.399 -1.914 855 2HE LYS 50 1HE LYS 50 -19.149 3.284 -3.290 856 1HZ LYS 50 1HZ LYS 50 -17.299 2.150 -2.165 857 2HZ LYS 50 3HZ LYS 50 -17.474 3.181 -0.827 858 3HZ LYS 50 2HZ LYS 50 -18.717 2.100 -1.234 859 H LEU 51 H LEU 51 -14.804 6.084 1.020 860 HA LEU 51 HA LEU 51 -16.153 6.254 3.575 861 1HB LEU 51 2HB LEU 51 -14.335 4.642 2.545 862 2HB LEU 51 1HB LEU 51 -13.178 5.801 3.156 863 HG LEU 51 HG LEU 51 -13.268 4.545 5.061 864 1HD1 LEU 51 3HD1 LEU 51 -14.580 6.501 5.838 865 2HD1 LEU 51 2HD1 LEU 51 -16.067 5.679 5.366 866 3HD1 LEU 51 1HD1 LEU 51 -15.069 5.018 6.659 867 1HD2 LEU 51 1HD2 LEU 51 -15.903 3.468 4.028 868 2HD2 LEU 51 3HD2 LEU 51 -14.321 2.689 3.903 869 3HD2 LEU 51 2HD2 LEU 51 -15.092 2.880 5.479 870 H ASN 52 H ASN 52 -13.510 8.166 2.036 871 HA ASN 52 HA ASN 52 -12.957 9.912 4.241 872 1HB ASN 52 2HB ASN 52 -11.460 10.706 2.746 873 2HB ASN 52 1HB ASN 52 -12.006 9.425 1.706 874 1HD2 ASN 52 1HD2 ASN 52 -10.870 12.034 0.878 875 2HD2 ASN 52 2HD2 ASN 52 -12.067 12.824 -0.030 876 H ASP 53 H ASP 53 -15.518 9.905 1.799 877 HA ASP 53 HA ASP 53 -16.471 12.567 2.160 878 1HB ASP 53 2HB ASP 53 -16.962 10.895 0.299 879 2HB ASP 53 1HB ASP 53 -18.083 10.109 1.412 880 H ALA 54 H ALA 54 -17.118 9.517 3.890 881 HA ALA 54 HA ALA 54 -19.462 10.336 5.353 882 1HB ALA 54 1HB ALA 54 -18.294 8.034 4.935 883 2HB ALA 54 3HB ALA 54 -17.350 8.441 6.370 884 3HB ALA 54 2HB ALA 54 -19.104 8.298 6.482 885 H GLN 55 H GLN 55 -15.998 10.813 5.912 886 HA GLN 55 HA GLN 55 -16.360 11.927 8.624 887 1HB GLN 55 2HB GLN 55 -14.074 11.412 6.710 888 2HB GLN 55 1HB GLN 55 -13.818 12.183 8.264 889 1HG GLN 55 2HG GLN 55 -14.724 10.250 9.437 890 2HG GLN 55 1HG GLN 55 -15.138 9.482 7.899 891 1HE2 GLN 55 1HE2 GLN 55 -13.059 9.587 6.321 892 2HE2 GLN 55 2HE2 GLN 55 -11.633 8.989 7.037 893 H ALA 56 H ALA 56 -15.489 13.053 5.339 894 HA ALA 56 HA ALA 56 -16.192 15.858 6.097 895 1HB ALA 56 2HB ALA 56 -13.926 16.104 6.338 896 2HB ALA 56 3HB ALA 56 -13.951 16.174 4.574 897 3HB ALA 56 1HB ALA 56 -13.584 14.655 5.390 898 HA PRO 57 HA PRO 57 -18.026 15.816 2.049 899 1HB PRO 57 2HB PRO 57 -17.781 18.435 1.288 900 2HB PRO 57 1HB PRO 57 -18.950 17.884 2.507 901 1HG PRO 57 2HG PRO 57 -16.279 19.145 2.882 902 2HG PRO 57 1HG PRO 57 -17.794 19.444 3.749 903 1HD PRO 57 1HD PRO 57 -15.804 17.924 4.774 904 2HD PRO 57 2HD PRO 57 -17.520 17.614 5.125 905 H LYS 58 H LYS 58 -17.340 15.452 -0.064 906 HA LYS 58 HA LYS 58 -14.452 15.517 -0.630 907 1HB LYS 58 2HB LYS 58 -16.946 14.525 -2.021 908 2HB LYS 58 1HB LYS 58 -15.396 14.543 -2.860 909 1HG LYS 58 2HG LYS 58 -14.398 13.091 -1.214 910 2HG LYS 58 1HG LYS 58 -15.807 13.223 -0.163 911 1HD LYS 58 2HD LYS 58 -16.115 11.148 -1.238 912 2HD LYS 58 1HD LYS 58 -17.141 12.242 -2.157 913 1HE LYS 58 2HE LYS 58 -14.383 12.144 -3.185 914 2HE LYS 58 1HE LYS 58 -15.209 10.576 -3.247 915 1HZ LYS 58 2HZ LYS 58 -17.115 11.648 -4.287 916 2HZ LYS 58 1HZ LYS 58 -16.324 13.153 -4.243 917 3HZ LYS 58 3HZ LYS 58 -15.715 11.904 -5.214 No H/Q in entry = 917 Start of MODEL 32 1 H1 VAL 1 3H VAL 1 -3.020 -21.187 12.010 2 H2 VAL 1 2H VAL 1 -3.242 -22.696 11.260 3 H3 VAL 1 1H VAL 1 -1.839 -22.392 12.165 4 HA VAL 1 HA VAL 1 -1.259 -22.254 9.856 5 HB VAL 1 HB VAL 1 -3.696 -21.867 9.246 6 1HG1 VAL 1 3HG1 VAL 1 -4.050 -19.912 10.783 7 2HG1 VAL 1 2HG1 VAL 1 -3.021 -18.947 9.729 8 3HG1 VAL 1 1HG1 VAL 1 -4.544 -19.592 9.124 9 1HG2 VAL 1 3HG2 VAL 1 -1.832 -21.695 7.601 10 2HG2 VAL 1 2HG2 VAL 1 -3.175 -20.623 7.210 11 3HG2 VAL 1 1HG2 VAL 1 -1.715 -19.970 7.949 12 H ASP 2 H ASP 2 0.395 -20.786 9.239 13 HA ASP 2 HA ASP 2 1.142 -18.776 11.264 14 1HB ASP 2 2HB ASP 2 2.778 -20.352 10.257 15 2HB ASP 2 1HB ASP 2 2.460 -19.661 8.667 16 H ASN 3 H ASN 3 0.115 -16.824 11.114 17 HA ASN 3 HA ASN 3 -0.602 -15.691 8.453 18 1HB ASN 3 2HB ASN 3 -1.238 -14.898 11.316 19 2HB ASN 3 1HB ASN 3 -1.870 -14.071 9.892 20 1HD2 ASN 3 1HD2 ASN 3 -2.983 -15.725 8.239 21 2HD2 ASN 3 2HD2 ASN 3 -3.970 -16.905 8.957 22 H LYS 4 H LYS 4 2.223 -15.703 10.068 23 HA LYS 4 HA LYS 4 2.955 -12.990 10.559 24 1HB LYS 4 2HB LYS 4 4.205 -14.930 11.357 25 2HB LYS 4 1HB LYS 4 4.526 -15.450 9.710 26 1HG LYS 4 2HG LYS 4 5.967 -13.557 9.303 27 2HG LYS 4 1HG LYS 4 5.494 -12.805 10.830 28 1HD LYS 4 2HD LYS 4 7.676 -13.867 11.099 29 2HD LYS 4 1HD LYS 4 6.483 -14.749 12.051 30 1HE LYS 4 2HE LYS 4 6.595 -15.837 9.360 31 2HE LYS 4 1HE LYS 4 8.211 -15.828 10.085 32 1HZ LYS 4 1HZ LYS 4 7.288 -16.854 12.077 33 2HZ LYS 4 3HZ LYS 4 5.740 -16.867 11.384 34 3HZ LYS 4 2HZ LYS 4 6.974 -17.820 10.717 35 H PHE 5 H PHE 5 4.131 -14.897 7.726 36 HA PHE 5 HA PHE 5 4.811 -12.600 6.185 37 1HB PHE 5 2HB PHE 5 4.329 -15.505 5.518 38 2HB PHE 5 1HB PHE 5 4.860 -14.344 4.302 39 HD1 PHE 5 HD1 PHE 5 6.938 -12.896 4.870 40 HD2 PHE 5 HD2 PHE 5 5.911 -16.512 6.953 41 HE1 PHE 5 HE1 PHE 5 9.259 -13.062 5.727 42 HE2 PHE 5 HE2 PHE 5 8.233 -16.675 7.806 43 HZ PHE 5 HZ PHE 5 9.897 -14.949 7.201 44 H ASN 6 H ASN 6 1.749 -14.350 6.484 45 HA ASN 6 HA ASN 6 0.420 -13.501 4.117 46 1HB ASN 6 2HB ASN 6 -0.477 -14.120 6.942 47 2HB ASN 6 1HB ASN 6 -1.638 -13.717 5.679 48 1HD2 ASN 6 1HD2 ASN 6 -2.046 -15.309 4.018 49 2HD2 ASN 6 2HD2 ASN 6 -1.365 -16.863 4.067 50 H LYS 7 H LYS 7 0.513 -11.853 7.350 51 HA LYS 7 HA LYS 7 -0.689 -9.444 6.101 52 1HB LYS 7 2HB LYS 7 -1.572 -10.228 8.236 53 2HB LYS 7 1HB LYS 7 0.031 -10.059 8.977 54 1HG LYS 7 2HG LYS 7 -0.992 -7.661 7.589 55 2HG LYS 7 1HG LYS 7 -1.947 -8.145 8.984 56 1HD LYS 7 2HD LYS 7 1.008 -7.476 8.927 57 2HD LYS 7 1HD LYS 7 -0.278 -6.559 9.701 58 1HE LYS 7 2HE LYS 7 0.113 -7.736 11.603 59 2HE LYS 7 1HE LYS 7 -0.431 -9.200 10.765 60 1HZ LYS 7 1HZ LYS 7 1.811 -9.440 9.829 61 2HZ LYS 7 3HZ LYS 7 2.327 -8.068 10.688 62 3HZ LYS 7 2HZ LYS 7 1.849 -9.466 11.525 63 H GLU 8 H GLU 8 2.549 -10.577 6.741 64 HA GLU 8 HA GLU 8 3.732 -8.002 7.357 65 1HB GLU 8 2HB GLU 8 4.758 -10.622 6.251 66 2HB GLU 8 1HB GLU 8 5.802 -9.201 6.318 67 1HG GLU 8 2HG GLU 8 4.322 -10.369 8.694 68 2HG GLU 8 1HG GLU 8 6.038 -10.623 8.337 69 H GLN 9 H GLN 9 2.969 -9.774 4.379 70 HA GLN 9 HA GLN 9 4.050 -7.891 2.511 71 1HB GLN 9 2HB GLN 9 1.714 -9.828 2.377 72 2HB GLN 9 1HB GLN 9 2.374 -8.988 0.980 73 1HG GLN 9 2HG GLN 9 4.513 -10.098 1.254 74 2HG GLN 9 1HG GLN 9 3.965 -10.863 2.747 75 1HE2 GLN 9 1HE2 GLN 9 3.544 -10.862 -0.796 76 2HE2 GLN 9 2HE2 GLN 9 2.717 -12.344 -0.860 77 H GLN 10 H GLN 10 0.988 -8.220 4.254 78 HA GLN 10 HA GLN 10 -0.529 -6.071 3.071 79 1HB GLN 10 2HB GLN 10 -0.760 -8.093 5.033 80 2HB GLN 10 1HB GLN 10 -1.073 -6.589 5.861 81 1HG GLN 10 2HG GLN 10 -3.186 -6.898 5.091 82 2HG GLN 10 1HG GLN 10 -2.535 -6.200 3.621 83 1HE2 GLN 10 1HE2 GLN 10 -4.199 -7.541 2.426 84 2HE2 GLN 10 2HE2 GLN 10 -3.904 -9.192 2.170 85 H ASN 11 H ASN 11 1.421 -6.237 6.075 86 HA ASN 11 HA ASN 11 1.117 -3.441 6.763 87 1HB ASN 11 2HB ASN 11 1.761 -5.479 8.226 88 2HB ASN 11 1HB ASN 11 3.389 -5.286 7.568 89 1HD2 ASN 11 1HD2 ASN 11 4.701 -3.636 8.474 90 2HD2 ASN 11 2HD2 ASN 11 4.151 -2.520 9.628 91 H ALA 12 H ALA 12 3.728 -5.313 5.165 92 HA ALA 12 HA ALA 12 5.566 -3.140 4.809 93 1HB ALA 12 3HB ALA 12 5.048 -5.786 3.444 94 2HB ALA 12 1HB ALA 12 6.395 -5.339 4.500 95 3HB ALA 12 2HB ALA 12 6.304 -4.689 2.857 96 H PHE 13 H PHE 13 2.977 -4.468 2.723 97 HA PHE 13 HA PHE 13 3.258 -2.732 0.463 98 1HB PHE 13 2HB PHE 13 1.794 -4.688 0.418 99 2HB PHE 13 1HB PHE 13 0.886 -4.103 1.804 100 HD1 PHE 13 HD1 PHE 13 2.000 -2.600 -1.429 101 HD2 PHE 13 HD2 PHE 13 -1.240 -3.398 1.244 102 HE1 PHE 13 HE1 PHE 13 0.437 -1.519 -3.006 103 HE2 PHE 13 HE2 PHE 13 -2.800 -2.315 -0.311 104 HZ PHE 13 HZ PHE 13 -1.964 -1.375 -2.430 105 H TYR 14 H TYR 14 1.125 -2.512 3.290 106 HA TYR 14 HA TYR 14 -0.038 0.015 2.962 107 1HB TYR 14 2HB TYR 14 -0.546 -1.760 4.590 108 2HB TYR 14 1HB TYR 14 0.944 -1.402 5.450 109 HD1 TYR 14 HD1 TYR 14 0.993 0.264 7.103 110 HD2 TYR 14 HD2 TYR 14 -2.253 0.149 4.314 111 HE1 TYR 14 HE1 TYR 14 -0.222 1.968 8.427 112 HE2 TYR 14 HE2 TYR 14 -3.463 1.760 5.609 113 HH TYR 14 HH TYR 14 -3.549 2.827 7.737 114 H GLU 15 H GLU 15 2.898 -0.723 4.929 115 HA GLU 15 HA GLU 15 3.626 1.970 5.504 116 1HB GLU 15 2HB GLU 15 5.218 -0.596 5.273 117 2HB GLU 15 1HB GLU 15 5.885 0.901 5.919 118 1HG GLU 15 2HG GLU 15 3.480 -0.595 7.034 119 2HG GLU 15 1HG GLU 15 5.089 -0.565 7.745 120 H ILE 16 H ILE 16 4.678 -0.172 2.766 121 HA ILE 16 HA ILE 16 6.513 1.620 1.504 122 HB ILE 16 HB ILE 16 4.702 -0.634 0.681 123 1HG1 ILE 16 2HG1 ILE 16 7.533 -0.417 -0.172 124 2HG1 ILE 16 1HG1 ILE 16 7.271 -0.422 1.567 125 1HG2 ILE 16 2HG2 ILE 16 5.986 1.246 -1.299 126 2HG2 ILE 16 1HG2 ILE 16 5.622 -0.438 -1.697 127 3HG2 ILE 16 3HG2 ILE 16 4.319 0.669 -1.263 128 1HD1 ILE 16 1HD1 ILE 16 5.695 -2.429 0.100 129 2HD1 ILE 16 3HD1 ILE 16 7.458 -2.668 0.028 130 3HD1 ILE 16 2HD1 ILE 16 6.642 -2.582 1.589 131 H LEU 17 H LEU 17 2.976 1.385 1.184 132 HA LEU 17 HA LEU 17 2.623 3.625 -0.642 133 1HB LEU 17 2HB LEU 17 0.775 2.255 1.342 134 2HB LEU 17 1HB LEU 17 0.238 3.382 0.105 135 HG LEU 17 HG LEU 17 1.941 1.221 -0.912 136 1HD1 LEU 17 2HD1 LEU 17 0.042 0.449 0.954 137 2HD1 LEU 17 1HD1 LEU 17 -0.801 0.315 -0.604 138 3HD1 LEU 17 3HD1 LEU 17 0.704 -0.549 -0.337 139 1HD2 LEU 17 1HD2 LEU 17 0.484 2.968 -2.166 140 2HD2 LEU 17 3HD2 LEU 17 0.474 1.269 -2.704 141 3HD2 LEU 17 2HD2 LEU 17 -0.856 1.870 -1.694 142 H HIS 18 H HIS 18 2.434 3.346 2.939 143 HA HIS 18 HA HIS 18 1.547 6.072 3.382 144 1HB HIS 18 2HB HIS 18 2.645 3.837 5.091 145 2HB HIS 18 1HB HIS 18 2.364 5.433 5.778 146 HD1 HIS 18 HD1 HIS 18 -0.145 6.320 5.802 147 HD2 HIS 18 HD2 HIS 18 0.279 2.336 4.675 148 HE1 HIS 18 HE1 HIS 18 -2.455 5.199 5.793 149 H LEU 19 H LEU 19 4.791 4.633 3.068 150 HA LEU 19 HA LEU 19 6.375 6.471 4.504 151 1HB LEU 19 2HB LEU 19 6.804 4.867 1.983 152 2HB LEU 19 1HB LEU 19 8.088 5.889 2.620 153 HG LEU 19 HG LEU 19 6.677 3.738 4.230 154 1HD1 LEU 19 1HD1 LEU 19 9.174 3.691 2.553 155 2HD1 LEU 19 3HD1 LEU 19 9.052 2.661 3.981 156 3HD1 LEU 19 2HD1 LEU 19 7.891 2.491 2.662 157 1HD2 LEU 19 2HD2 LEU 19 8.146 5.903 5.122 158 2HD2 LEU 19 1HD2 LEU 19 7.908 4.397 6.008 159 3HD2 LEU 19 3HD2 LEU 19 9.358 4.626 5.032 160 HA PRO 20 HA PRO 20 5.298 10.239 2.324 161 1HB PRO 20 2HB PRO 20 6.995 11.880 3.724 162 2HB PRO 20 1HB PRO 20 5.425 11.327 4.340 163 1HG PRO 20 2HG PRO 20 8.153 10.239 4.885 164 2HG PRO 20 1HG PRO 20 6.825 10.561 6.014 165 1HD PRO 20 1HD PRO 20 7.338 8.086 5.145 166 2HD PRO 20 2HD PRO 20 5.672 8.646 5.417 167 H ASN 21 H ASN 21 8.571 8.850 2.440 168 HA ASN 21 HA ASN 21 9.406 10.766 0.300 169 1HB ASN 21 2HB ASN 21 10.938 9.006 2.226 170 2HB ASN 21 1HB ASN 21 11.708 9.941 0.948 171 1HD2 ASN 21 1HD2 ASN 21 11.025 10.114 4.202 172 2HD2 ASN 21 2HD2 ASN 21 10.916 11.798 4.373 173 H LEU 22 H LEU 22 7.912 7.830 0.372 174 HA LEU 22 HA LEU 22 9.617 6.482 -1.634 175 1HB LEU 22 2HB LEU 22 7.118 5.818 -0.086 176 2HB LEU 22 1HB LEU 22 7.457 4.926 -1.561 177 HG LEU 22 HG LEU 22 8.854 4.837 1.073 178 1HD1 LEU 22 3HD1 LEU 22 8.164 2.934 -1.162 179 2HD1 LEU 22 2HD1 LEU 22 9.255 2.457 0.148 180 3HD1 LEU 22 1HD1 LEU 22 7.587 2.921 0.505 181 1HD2 LEU 22 2HD2 LEU 22 10.304 4.522 -1.573 182 2HD2 LEU 22 1HD2 LEU 22 10.679 5.680 -0.275 183 3HD2 LEU 22 3HD2 LEU 22 10.922 3.946 -0.021 184 H ASN 23 H ASN 23 9.220 6.517 -3.768 185 HA ASN 23 HA ASN 23 6.909 8.171 -4.736 186 1HB ASN 23 2HB ASN 23 8.416 8.394 -6.807 187 2HB ASN 23 1HB ASN 23 8.961 9.204 -5.355 188 1HD2 ASN 23 1HD2 ASN 23 11.050 8.626 -4.565 189 2HD2 ASN 23 2HD2 ASN 23 11.967 7.341 -5.187 190 H GLU 24 H GLU 24 6.639 7.461 -7.278 191 HA GLU 24 HA GLU 24 5.284 4.927 -7.208 192 1HB GLU 24 2HB GLU 24 6.236 6.742 -9.454 193 2HB GLU 24 1HB GLU 24 5.247 5.313 -9.744 194 1HG GLU 24 2HG GLU 24 3.922 6.628 -7.670 195 2HG GLU 24 1HG GLU 24 4.459 7.935 -8.717 196 H GLU 25 H GLU 25 8.576 5.814 -8.355 197 HA GLU 25 HA GLU 25 9.185 3.273 -9.579 198 1HB GLU 25 2HB GLU 25 10.434 5.429 -9.868 199 2HB GLU 25 1HB GLU 25 11.031 5.269 -8.219 200 1HG GLU 25 2HG GLU 25 12.051 3.070 -8.846 201 2HG GLU 25 1HG GLU 25 11.550 3.355 -10.512 202 H GLN 26 H GLN 26 9.850 4.525 -6.265 203 HA GLN 26 HA GLN 26 10.962 1.986 -5.326 204 1HB GLN 26 2HB GLN 26 10.032 4.468 -3.862 205 2HB GLN 26 1HB GLN 26 10.964 3.160 -3.140 206 1HG GLN 26 2HG GLN 26 11.839 5.075 -5.320 207 2HG GLN 26 1HG GLN 26 12.544 4.866 -3.724 208 1HE2 GLN 26 1HE2 GLN 26 13.482 4.371 -6.734 209 2HE2 GLN 26 2HE2 GLN 26 14.274 2.876 -6.609 210 H ARG 27 H ARG 27 7.927 3.720 -4.446 211 HA ARG 27 HA ARG 27 6.843 1.689 -2.792 212 1HB ARG 27 2HB ARG 27 5.994 3.989 -2.909 213 2HB ARG 27 1HB ARG 27 5.481 3.739 -4.576 214 1HG ARG 27 2HG ARG 27 4.004 1.859 -3.713 215 2HG ARG 27 1HG ARG 27 4.344 2.457 -2.089 216 1HD ARG 27 2HD ARG 27 2.279 3.485 -2.812 217 2HD ARG 27 1HD ARG 27 3.534 4.729 -2.908 218 HE ARG 27 HE ARG 27 2.800 3.088 -5.304 219 1HH1 ARG 27 1HH1 ARG 27 4.702 5.691 -4.449 220 2HH1 ARG 27 2HH1 ARG 27 4.040 6.797 -5.600 221 1HH2 ARG 27 1HH2 ARG 27 1.419 4.701 -6.526 222 2HH2 ARG 27 2HH2 ARG 27 2.172 6.239 -6.776 223 H ASN 28 H ASN 28 6.170 2.253 -6.323 224 HA ASN 28 HA ASN 28 4.327 0.039 -6.580 225 1HB ASN 28 2HB ASN 28 6.036 1.323 -8.714 226 2HB ASN 28 1HB ASN 28 4.576 0.408 -8.986 227 1HD2 ASN 28 1HD2 ASN 28 4.600 2.960 -10.036 228 2HD2 ASN 28 2HD2 ASN 28 3.618 3.992 -9.116 229 H ALA 29 H ALA 29 7.849 0.343 -7.235 230 HA ALA 29 HA ALA 29 8.310 -2.301 -8.262 231 1HB ALA 29 2HB ALA 29 9.913 -0.430 -8.279 232 2HB ALA 29 3HB ALA 29 10.613 -1.851 -7.496 233 3HB ALA 29 1HB ALA 29 10.014 -0.512 -6.516 234 H PHE 30 H PHE 30 8.103 -1.001 -4.963 235 HA PHE 30 HA PHE 30 8.887 -3.363 -3.539 236 1HB PHE 30 2HB PHE 30 7.300 -0.869 -2.965 237 2HB PHE 30 1HB PHE 30 7.426 -2.139 -1.751 238 HD1 PHE 30 HD1 PHE 30 8.564 0.661 -1.450 239 HD2 PHE 30 HD2 PHE 30 10.319 -2.966 -2.929 240 HE1 PHE 30 HE1 PHE 30 10.805 1.445 -0.776 241 HE2 PHE 30 HE2 PHE 30 12.527 -2.185 -2.256 242 HZ PHE 30 HZ PHE 30 12.780 -0.028 -1.170 243 H ILE 31 H ILE 31 5.735 -2.101 -4.508 244 HA ILE 31 HA ILE 31 4.186 -4.282 -3.420 245 HB ILE 31 HB ILE 31 3.732 -2.271 -5.639 246 1HG1 ILE 31 2HG1 ILE 31 2.647 -2.310 -2.853 247 2HG1 ILE 31 1HG1 ILE 31 4.198 -1.577 -3.196 248 1HG2 ILE 31 3HG2 ILE 31 2.162 -4.540 -4.809 249 2HG2 ILE 31 2HG2 ILE 31 1.323 -3.022 -4.492 250 3HG2 ILE 31 1HG2 ILE 31 1.878 -3.400 -6.121 251 1HD1 ILE 31 3HD1 ILE 31 1.638 -0.846 -4.630 252 2HD1 ILE 31 2HD1 ILE 31 2.265 0.012 -3.198 253 3HD1 ILE 31 1HD1 ILE 31 3.208 -0.002 -4.692 254 H GLN 32 H GLN 32 6.094 -3.895 -6.434 255 HA GLN 32 HA GLN 32 4.986 -6.260 -7.770 256 1HB GLN 32 2HB GLN 32 7.524 -4.614 -8.075 257 2HB GLN 32 1HB GLN 32 7.109 -5.944 -9.154 258 1HG GLN 32 2HG GLN 32 5.050 -4.836 -9.801 259 2HG GLN 32 1HG GLN 32 5.319 -3.548 -8.639 260 1HE2 GLN 32 1HE2 GLN 32 6.591 -4.969 -11.677 261 2HE2 GLN 32 2HE2 GLN 32 7.421 -3.571 -12.165 262 H SER 33 H SER 33 7.995 -5.607 -5.904 263 HA SER 33 HA SER 33 8.929 -8.351 -5.795 264 1HB SER 33 2HB SER 33 10.367 -7.356 -3.955 265 2HB SER 33 1HB SER 33 10.475 -6.560 -5.519 266 HG SER 33 HG SER 33 10.006 -4.856 -4.365 267 H LEU 34 H LEU 34 6.696 -6.472 -3.862 268 HA LEU 34 HA LEU 34 6.599 -8.295 -1.572 269 1HB LEU 34 2HB LEU 34 6.355 -5.793 -1.595 270 2HB LEU 34 1HB LEU 34 4.837 -5.985 -2.458 271 HG LEU 34 HG LEU 34 4.054 -7.383 -0.476 272 1HD1 LEU 34 2HD1 LEU 34 6.619 -6.237 0.619 273 2HD1 LEU 34 1HD1 LEU 34 5.298 -6.794 1.647 274 3HD1 LEU 34 3HD1 LEU 34 6.118 -7.929 0.578 275 1HD2 LEU 34 2HD2 LEU 34 3.468 -4.979 -0.902 276 2HD2 LEU 34 1HD2 LEU 34 3.505 -5.398 0.805 277 3HD2 LEU 34 3HD2 LEU 34 4.848 -4.517 0.091 278 H LYS 35 H LYS 35 4.382 -7.479 -4.314 279 HA LYS 35 HA LYS 35 2.297 -9.335 -3.572 280 1HB LYS 35 2HB LYS 35 2.999 -7.649 -5.940 281 2HB LYS 35 1HB LYS 35 1.929 -8.976 -6.252 282 1HG LYS 35 2HG LYS 35 1.461 -6.758 -4.309 283 2HG LYS 35 1HG LYS 35 0.582 -7.082 -5.790 284 1HD LYS 35 2HD LYS 35 0.190 -9.451 -4.670 285 2HD LYS 35 1HD LYS 35 0.475 -8.554 -3.182 286 1HE LYS 35 2HE LYS 35 -1.473 -7.336 -3.378 287 2HE LYS 35 1HE LYS 35 -1.428 -7.354 -5.153 288 1HZ LYS 35 3HZ LYS 35 -1.730 -9.903 -3.689 289 2HZ LYS 35 2HZ LYS 35 -3.083 -8.903 -3.894 290 3HZ LYS 35 1HZ LYS 35 -2.251 -9.490 -5.252 291 H ASP 36 H ASP 36 5.249 -9.698 -5.524 292 HA ASP 36 HA ASP 36 4.497 -12.463 -6.314 293 1HB ASP 36 2HB ASP 36 6.756 -10.559 -6.976 294 2HB ASP 36 1HB ASP 36 6.741 -12.229 -7.540 295 H ASP 37 H ASP 37 6.798 -10.829 -4.090 296 HA ASP 37 HA ASP 37 7.748 -13.544 -3.209 297 1HB ASP 37 2HB ASP 37 9.307 -11.703 -4.285 298 2HB ASP 37 1HB ASP 37 9.250 -10.991 -2.671 299 HA PRO 38 HA PRO 38 5.360 -12.130 0.415 300 1HB PRO 38 2HB PRO 38 5.114 -14.622 1.520 301 2HB PRO 38 1HB PRO 38 4.066 -14.027 0.214 302 1HG PRO 38 2HG PRO 38 6.458 -15.797 0.042 303 2HG PRO 38 1HG PRO 38 4.890 -15.940 -0.767 304 1HD PRO 38 1HD PRO 38 7.050 -14.958 -2.024 305 2HD PRO 38 2HD PRO 38 5.406 -14.363 -2.351 306 H SER 39 H SER 39 8.147 -14.412 0.529 307 HA SER 39 HA SER 39 8.749 -14.037 3.318 308 1HB SER 39 2HB SER 39 10.779 -15.235 2.778 309 2HB SER 39 1HB SER 39 9.481 -15.915 1.807 310 HG SER 39 HG SER 39 10.289 -14.939 0.030 311 H GLN 40 H GLN 40 9.758 -12.182 0.441 312 HA GLN 40 HA GLN 40 11.789 -10.641 1.907 313 1HB GLN 40 2HB GLN 40 11.642 -11.281 -0.618 314 2HB GLN 40 1HB GLN 40 10.521 -9.924 -0.745 315 1HG GLN 40 2HG GLN 40 12.282 -8.465 0.304 316 2HG GLN 40 1HG GLN 40 13.401 -9.825 0.194 317 1HE2 GLN 40 1HE2 GLN 40 14.462 -10.127 -1.811 318 2HE2 GLN 40 2HE2 GLN 40 14.058 -9.288 -3.230 319 H SER 41 H SER 41 8.368 -10.477 1.898 320 HA SER 41 HA SER 41 7.730 -7.786 1.536 321 1HB SER 41 2HB SER 41 5.785 -8.295 2.967 322 2HB SER 41 1HB SER 41 6.149 -9.657 1.920 323 HG SER 41 HG SER 41 6.495 -10.810 3.641 324 H ALA 42 H ALA 42 8.805 -9.185 4.736 325 HA ALA 42 HA ALA 42 8.620 -6.688 6.167 326 1HB ALA 42 2HB ALA 42 10.584 -8.965 6.437 327 2HB ALA 42 3HB ALA 42 8.988 -8.900 7.199 328 3HB ALA 42 1HB ALA 42 10.244 -7.751 7.670 329 H ASN 43 H ASN 43 11.389 -8.242 4.502 330 HA ASN 43 HA ASN 43 13.367 -6.228 4.840 331 1HB ASN 43 2HB ASN 43 12.733 -8.403 2.900 332 2HB ASN 43 1HB ASN 43 13.946 -7.209 2.417 333 1HD2 ASN 43 1HD2 ASN 43 15.692 -6.818 4.272 334 2HD2 ASN 43 2HD2 ASN 43 16.225 -8.207 5.090 335 H LEU 44 H LEU 44 10.770 -6.646 2.447 336 HA LEU 44 HA LEU 44 11.442 -4.479 0.706 337 1HB LEU 44 2HB LEU 44 8.946 -6.004 1.375 338 2HB LEU 44 1HB LEU 44 8.918 -4.673 0.215 339 HG LEU 44 HG LEU 44 10.778 -7.042 0.091 340 1HD1 LEU 44 1HD1 LEU 44 8.156 -7.123 -0.379 341 2HD1 LEU 44 3HD1 LEU 44 8.687 -6.502 -1.942 342 3HD1 LEU 44 2HD1 LEU 44 9.312 -8.043 -1.344 343 1HD2 LEU 44 2HD2 LEU 44 10.780 -4.385 -1.091 344 2HD2 LEU 44 1HD2 LEU 44 11.975 -5.691 -1.219 345 3HD2 LEU 44 3HD2 LEU 44 10.615 -5.656 -2.351 346 H LEU 45 H LEU 45 9.362 -4.696 3.588 347 HA LEU 45 HA LEU 45 8.650 -1.881 3.422 348 1HB LEU 45 2HB LEU 45 7.306 -3.300 4.746 349 2HB LEU 45 1HB LEU 45 8.684 -3.938 5.630 350 HG LEU 45 HG LEU 45 9.009 -1.863 6.786 351 1HD1 LEU 45 3HD1 LEU 45 6.966 -0.744 4.842 352 2HD1 LEU 45 2HD1 LEU 45 7.533 0.122 6.271 353 3HD1 LEU 45 1HD1 LEU 45 8.661 -0.281 4.976 354 1HD2 LEU 45 3HD2 LEU 45 7.074 -3.365 7.457 355 2HD2 LEU 45 2HD2 LEU 45 6.967 -1.694 8.019 356 3HD2 LEU 45 1HD2 LEU 45 6.011 -2.223 6.632 357 H ALA 46 H ALA 46 11.137 -3.716 5.314 358 HA ALA 46 HA ALA 46 12.460 -1.531 6.575 359 1HB ALA 46 1HB ALA 46 13.282 -4.188 5.380 360 2HB ALA 46 3HB ALA 46 14.534 -3.092 5.984 361 3HB ALA 46 2HB ALA 46 13.276 -3.685 7.081 362 H GLU 47 H GLU 47 13.083 -2.829 3.239 363 HA GLU 47 HA GLU 47 15.124 -0.862 2.698 364 1HB GLU 47 2HB GLU 47 14.903 -1.646 0.348 365 2HB GLU 47 1HB GLU 47 15.108 -2.963 1.491 366 1HG GLU 47 2HG GLU 47 12.587 -3.162 1.432 367 2HG GLU 47 1HG GLU 47 12.661 -2.111 0.018 368 H ALA 48 H ALA 48 11.560 -0.998 2.195 369 HA ALA 48 HA ALA 48 11.375 1.510 0.784 370 1HB ALA 48 1HB ALA 48 9.717 -0.401 1.123 371 2HB ALA 48 3HB ALA 48 9.452 0.241 2.748 372 3HB ALA 48 2HB ALA 48 9.048 1.217 1.327 373 H LYS 49 H LYS 49 11.443 0.613 4.242 374 HA LYS 49 HA LYS 49 10.942 3.187 5.439 375 1HB LYS 49 2HB LYS 49 12.390 0.642 6.252 376 2HB LYS 49 1HB LYS 49 12.091 1.931 7.388 377 1HG LYS 49 2HG LYS 49 10.001 0.348 5.893 378 2HG LYS 49 1HG LYS 49 10.393 0.169 7.590 379 1HD LYS 49 2HD LYS 49 9.446 2.763 6.388 380 2HD LYS 49 1HD LYS 49 8.346 1.558 7.046 381 1HE LYS 49 2HE LYS 49 9.759 1.624 9.175 382 2HE LYS 49 1HE LYS 49 10.492 3.095 8.508 383 1HZ LYS 49 2HZ LYS 49 7.562 2.645 8.853 384 2HZ LYS 49 1HZ LYS 49 8.526 3.609 9.868 385 3HZ LYS 49 3HZ LYS 49 8.292 4.059 8.250 386 H LYS 50 H LYS 50 13.742 1.334 4.456 387 HA LYS 50 HA LYS 50 15.893 3.041 5.240 388 1HB LYS 50 2HB LYS 50 16.383 0.791 4.750 389 2HB LYS 50 1HB LYS 50 15.311 0.775 3.367 390 1HG LYS 50 2HG LYS 50 17.120 2.460 2.370 391 2HG LYS 50 1HG LYS 50 18.162 1.626 3.524 392 1HD LYS 50 2HD LYS 50 16.360 0.143 1.574 393 2HD LYS 50 1HD LYS 50 18.035 0.567 1.198 394 1HE LYS 50 2HE LYS 50 18.745 -0.666 3.295 395 2HE LYS 50 1HE LYS 50 17.067 -1.225 3.461 396 1HZ LYS 50 1HZ LYS 50 17.199 -2.093 1.179 397 2HZ LYS 50 3HZ LYS 50 18.830 -1.634 1.092 398 3HZ LYS 50 2HZ LYS 50 18.342 -2.828 2.196 399 H LEU 51 H LEU 51 13.908 2.786 2.284 400 HA LEU 51 HA LEU 51 15.330 4.786 0.736 401 1HB LEU 51 2HB LEU 51 12.882 3.140 0.612 402 2HB LEU 51 1HB LEU 51 12.764 4.667 -0.246 403 HG LEU 51 HG LEU 51 14.394 4.089 -1.777 404 1HD1 LEU 51 2HD1 LEU 51 15.489 2.378 0.427 405 2HD1 LEU 51 1HD1 LEU 51 15.892 1.982 -1.244 406 3HD1 LEU 51 3HD1 LEU 51 16.323 3.563 -0.582 407 1HD2 LEU 51 2HD2 LEU 51 12.890 1.687 -0.836 408 2HD2 LEU 51 1HD2 LEU 51 12.722 2.595 -2.341 409 3HD2 LEU 51 3HD2 LEU 51 14.090 1.501 -2.121 410 H ASN 52 H ASN 52 12.550 4.843 2.930 411 HA ASN 52 HA ASN 52 11.562 7.440 2.401 412 1HB ASN 52 2HB ASN 52 10.561 5.585 3.798 413 2HB ASN 52 1HB ASN 52 11.702 6.015 5.072 414 1HD2 ASN 52 1HD2 ASN 52 11.084 7.680 6.461 415 2HD2 ASN 52 2HD2 ASN 52 9.779 8.730 6.184 416 H ASP 53 H ASP 53 14.113 6.351 4.666 417 HA ASP 53 HA ASP 53 14.724 9.066 5.614 418 1HB ASP 53 2HB ASP 53 16.203 6.425 5.877 419 2HB ASP 53 1HB ASP 53 16.549 7.883 6.803 420 H ALA 54 H ALA 54 16.186 6.765 3.293 421 HA ALA 54 HA ALA 54 18.554 8.316 2.695 422 1HB ALA 54 3HB ALA 54 17.032 6.269 1.044 423 2HB ALA 54 2HB ALA 54 18.711 6.746 0.797 424 3HB ALA 54 1HB ALA 54 18.246 5.887 2.266 425 H GLN 55 H GLN 55 15.349 8.077 1.122 426 HA GLN 55 HA GLN 55 15.991 10.171 -0.867 427 1HB GLN 55 2HB GLN 55 13.452 8.645 -0.224 428 2HB GLN 55 1HB GLN 55 13.688 9.674 -1.630 429 1HG GLN 55 2HG GLN 55 15.562 8.200 -2.368 430 2HG GLN 55 1HG GLN 55 15.241 7.135 -0.995 431 1HE2 GLN 55 1HE2 GLN 55 12.539 6.851 -0.910 432 2HE2 GLN 55 2HE2 GLN 55 11.922 6.259 -2.377 433 H ALA 56 H ALA 56 15.270 10.367 2.377 434 HA ALA 56 HA ALA 56 13.074 12.216 2.519 435 1HB ALA 56 3HB ALA 56 15.153 12.442 4.577 436 2HB ALA 56 2HB ALA 56 13.460 11.980 4.743 437 3HB ALA 56 1HB ALA 56 14.660 10.773 4.275 438 HA PRO 57 HA PRO 57 14.962 16.025 1.505 439 1HB PRO 57 2HB PRO 57 13.564 17.757 3.091 440 2HB PRO 57 1HB PRO 57 12.859 16.962 1.670 441 1HG PRO 57 2HG PRO 57 12.556 16.296 4.547 442 2HG PRO 57 1HG PRO 57 11.365 16.232 3.240 443 1HD PRO 57 1HD PRO 57 12.675 14.044 4.241 444 2HD PRO 57 2HD PRO 57 11.992 14.137 2.603 445 H LYS 58 H LYS 58 16.571 17.505 2.263 446 HA LYS 58 HA LYS 58 17.365 17.332 5.148 447 1HB LYS 58 2HB LYS 58 18.888 16.604 2.664 448 2HB LYS 58 1HB LYS 58 19.779 17.299 4.014 449 1HG LYS 58 2HG LYS 58 19.804 15.271 4.989 450 2HG LYS 58 1HG LYS 58 18.050 15.365 5.146 451 1HD LYS 58 2HD LYS 58 18.102 14.611 2.606 452 2HD LYS 58 1HD LYS 58 19.694 13.994 3.046 453 1HE LYS 58 2HE LYS 58 18.651 12.735 4.941 454 2HE LYS 58 1HE LYS 58 17.059 13.288 4.391 455 1HZ LYS 58 1HZ LYS 58 17.507 12.313 2.217 456 2HZ LYS 58 3HZ LYS 58 19.023 11.767 2.748 457 3HZ LYS 58 2HZ LYS 58 17.603 11.130 3.430 458 H1 VAL 1 3H VAL 1 -0.503 -17.481 -17.163 459 H2 VAL 1 2H VAL 1 -1.066 -18.900 -16.418 460 H3 VAL 1 1H VAL 1 -1.924 -18.219 -17.717 461 HA VAL 1 HA VAL 1 -2.610 -16.348 -16.433 462 HB VAL 1 HB VAL 1 -2.798 -19.005 -14.953 463 1HG1 VAL 1 1HG1 VAL 1 -4.356 -16.429 -14.588 464 2HG1 VAL 1 3HG1 VAL 1 -4.906 -17.990 -13.979 465 3HG1 VAL 1 2HG1 VAL 1 -3.406 -17.286 -13.375 466 1HG2 VAL 1 3HG2 VAL 1 -4.504 -17.620 -17.040 467 2HG2 VAL 1 2HG2 VAL 1 -3.762 -19.218 -17.131 468 3HG2 VAL 1 1HG2 VAL 1 -5.121 -18.939 -16.044 469 H ASP 2 H ASP 2 -1.493 -14.766 -15.361 470 HA ASP 2 HA ASP 2 0.182 -15.531 -12.983 471 1HB ASP 2 2HB ASP 2 0.650 -13.492 -15.183 472 2HB ASP 2 1HB ASP 2 1.631 -13.595 -13.723 473 H ASN 3 H ASN 3 -0.135 -14.310 -11.138 474 HA ASN 3 HA ASN 3 -2.352 -12.324 -11.168 475 1HB ASN 3 2HB ASN 3 -2.169 -14.300 -9.566 476 2HB ASN 3 1HB ASN 3 -0.786 -13.489 -8.836 477 1HD2 ASN 3 1HD2 ASN 3 -4.312 -13.196 -9.376 478 2HD2 ASN 3 2HD2 ASN 3 -4.562 -12.042 -8.158 479 H LYS 4 H LYS 4 -1.012 -10.674 -12.298 480 HA LYS 4 HA LYS 4 1.168 -9.462 -10.642 481 1HB LYS 4 2HB LYS 4 0.496 -9.694 -13.527 482 2HB LYS 4 1HB LYS 4 1.181 -8.144 -13.044 483 1HG LYS 4 2HG LYS 4 3.142 -9.295 -13.420 484 2HG LYS 4 1HG LYS 4 2.890 -9.729 -11.730 485 1HD LYS 4 2HD LYS 4 1.417 -11.668 -12.925 486 2HD LYS 4 1HD LYS 4 2.629 -11.399 -14.176 487 1HE LYS 4 2HE LYS 4 3.851 -12.897 -12.923 488 2HE LYS 4 1HE LYS 4 4.221 -11.464 -11.944 489 1HZ LYS 4 3HZ LYS 4 2.230 -11.919 -10.616 490 2HZ LYS 4 2HZ LYS 4 1.933 -13.326 -11.525 491 3HZ LYS 4 1HZ LYS 4 3.319 -13.215 -10.551 492 H PHE 5 H PHE 5 -0.942 -8.849 -9.293 493 HA PHE 5 HA PHE 5 -2.397 -6.490 -10.299 494 1HB PHE 5 2HB PHE 5 -2.424 -8.282 -7.887 495 2HB PHE 5 1HB PHE 5 -3.281 -6.752 -7.846 496 HD1 PHE 5 HD1 PHE 5 -5.264 -6.370 -9.184 497 HD2 PHE 5 HD2 PHE 5 -3.063 -10.042 -9.516 498 HE1 PHE 5 HE1 PHE 5 -7.126 -7.371 -10.475 499 HE2 PHE 5 HE2 PHE 5 -4.930 -11.044 -10.803 500 HZ PHE 5 HZ PHE 5 -6.962 -9.708 -11.282 501 H ASN 6 H ASN 6 0.665 -6.826 -9.029 502 HA ASN 6 HA ASN 6 0.908 -4.910 -6.968 503 1HB ASN 6 2HB ASN 6 3.308 -4.665 -8.040 504 2HB ASN 6 1HB ASN 6 2.829 -6.187 -7.308 505 1HD2 ASN 6 1HD2 ASN 6 3.113 -4.563 -10.526 506 2HD2 ASN 6 2HD2 ASN 6 3.274 -6.009 -11.398 507 H LYS 7 H LYS 7 0.841 -4.409 -10.456 508 HA LYS 7 HA LYS 7 1.515 -1.617 -10.509 509 1HB LYS 7 2HB LYS 7 1.431 -3.248 -12.440 510 2HB LYS 7 1HB LYS 7 -0.330 -3.183 -12.338 511 1HG LYS 7 2HG LYS 7 -0.265 -0.748 -12.760 512 2HG LYS 7 1HG LYS 7 1.494 -0.810 -12.858 513 1HD LYS 7 2HD LYS 7 0.741 -0.876 -15.119 514 2HD LYS 7 1HD LYS 7 1.187 -2.536 -14.727 515 1HE LYS 7 2HE LYS 7 -0.912 -2.895 -15.690 516 2HE LYS 7 1HE LYS 7 -1.394 -2.674 -13.999 517 1HZ LYS 7 2HZ LYS 7 -1.683 -0.299 -14.429 518 2HZ LYS 7 1HZ LYS 7 -1.254 -0.527 -16.061 519 3HZ LYS 7 3HZ LYS 7 -2.675 -1.221 -15.453 520 H GLU 8 H GLU 8 -1.520 -3.326 -10.065 521 HA GLU 8 HA GLU 8 -3.234 -1.015 -10.123 522 1HB GLU 8 2HB GLU 8 -3.383 -3.897 -9.445 523 2HB GLU 8 1HB GLU 8 -4.602 -2.879 -8.676 524 1HG GLU 8 2HG GLU 8 -5.466 -2.152 -10.749 525 2HG GLU 8 1HG GLU 8 -4.038 -2.694 -11.634 526 H LEU 9 H LEU 9 -1.439 -2.595 -7.495 527 HA LEU 9 HA LEU 9 -2.759 -0.982 -5.444 528 1HB LEU 9 2HB LEU 9 -0.069 -2.277 -5.114 529 2HB LEU 9 1HB LEU 9 -1.285 -1.947 -3.937 530 HG LEU 9 HG LEU 9 -1.983 -3.834 -6.133 531 1HD1 LEU 9 1HD1 LEU 9 0.178 -4.182 -4.221 532 2HD1 LEU 9 3HD1 LEU 9 -1.106 -5.358 -3.912 533 3HD1 LEU 9 2HD1 LEU 9 -0.338 -5.292 -5.501 534 1HD2 LEU 9 2HD2 LEU 9 -2.753 -3.518 -3.203 535 2HD2 LEU 9 1HD2 LEU 9 -3.729 -2.992 -4.584 536 3HD2 LEU 9 3HD2 LEU 9 -3.433 -4.718 -4.296 537 H SER 10 H SER 10 -0.178 -0.499 -7.702 538 HA SER 10 HA SER 10 1.313 1.505 -6.267 539 1HB SER 10 2HB SER 10 2.504 0.910 -8.133 540 2HB SER 10 1HB SER 10 1.088 0.293 -8.943 541 HG SER 10 HG SER 10 1.106 2.043 -10.093 542 H VAL 11 H VAL 11 -1.307 1.633 -8.734 543 HA VAL 11 HA VAL 11 -1.762 4.526 -8.363 544 HB VAL 11 HB VAL 11 -3.427 2.462 -9.856 545 1HG1 VAL 11 2HG1 VAL 11 -2.994 5.440 -10.239 546 2HG1 VAL 11 1HG1 VAL 11 -3.948 4.411 -11.309 547 3HG1 VAL 11 3HG1 VAL 11 -4.463 4.666 -9.640 548 1HG2 VAL 11 3HG2 VAL 11 -0.927 3.938 -10.755 549 2HG2 VAL 11 2HG2 VAL 11 -1.123 2.189 -10.603 550 3HG2 VAL 11 1HG2 VAL 11 -2.012 3.076 -11.848 551 H ALA 12 H ALA 12 -3.757 1.570 -7.868 552 HA ALA 12 HA ALA 12 -5.919 2.831 -6.496 553 1HB ALA 12 2HB ALA 12 -5.715 0.477 -7.569 554 2HB ALA 12 3HB ALA 12 -6.655 0.618 -6.084 555 3HB ALA 12 1HB ALA 12 -5.002 -0.015 -6.022 556 H GLY 13 H GLY 13 -3.254 0.943 -5.172 557 1HA GLY 13 1HA GLY 13 -2.231 0.892 -3.105 558 2HA GLY 13 2HA GLY 13 -3.827 1.269 -2.451 559 H ARG 14 H ARG 14 -1.359 3.064 -4.312 560 HA ARG 14 HA ARG 14 -0.646 4.744 -2.188 561 1HB ARG 14 2HB ARG 14 0.526 4.484 -4.385 562 2HB ARG 14 1HB ARG 14 -0.683 5.554 -5.095 563 1HG ARG 14 2HG ARG 14 1.439 6.718 -4.357 564 2HG ARG 14 1HG ARG 14 -0.034 7.372 -3.655 565 1HD ARG 14 2HD ARG 14 0.539 6.716 -1.526 566 2HD ARG 14 1HD ARG 14 1.284 5.207 -2.087 567 HE ARG 14 HE ARG 14 3.259 6.506 -2.745 568 1HH1 ARG 14 1HH1 ARG 14 3.785 7.098 -0.121 569 2HH1 ARG 14 2HH1 ARG 14 3.575 8.805 0.074 570 1HH2 ARG 14 1HH2 ARG 14 1.731 9.184 -2.859 571 2HH2 ARG 14 2HH2 ARG 14 2.404 9.994 -1.484 572 H GLU 15 H GLU 15 -3.334 5.236 -4.538 573 HA GLU 15 HA GLU 15 -4.017 7.876 -3.555 574 1HB GLU 15 2HB GLU 15 -5.516 5.739 -5.078 575 2HB GLU 15 1HB GLU 15 -6.209 7.321 -4.712 576 1HG GLU 15 2HG GLU 15 -3.634 6.856 -6.249 577 2HG GLU 15 1HG GLU 15 -5.183 7.294 -6.964 578 H ILE 16 H ILE 16 -5.168 4.604 -2.661 579 HA ILE 16 HA ILE 16 -7.234 5.228 -0.773 580 HB ILE 16 HB ILE 16 -5.149 3.006 -0.700 581 1HG1 ILE 16 2HG1 ILE 16 -7.012 3.541 -2.745 582 2HG1 ILE 16 1HG1 ILE 16 -6.086 2.071 -2.512 583 1HG2 ILE 16 3HG2 ILE 16 -7.767 3.402 0.721 584 2HG2 ILE 16 2HG2 ILE 16 -7.238 1.760 0.336 585 3HG2 ILE 16 1HG2 ILE 16 -6.227 2.802 1.340 586 1HD1 ILE 16 2HD1 ILE 16 -7.969 1.260 -1.023 587 2HD1 ILE 16 1HD1 ILE 16 -8.896 2.646 -1.604 588 3HD1 ILE 16 3HD1 ILE 16 -8.344 1.417 -2.737 589 H VAL 17 H VAL 17 -3.744 5.009 -0.489 590 HA VAL 17 HA VAL 17 -3.682 5.456 2.409 591 HB VAL 17 HB VAL 17 -2.347 3.915 0.781 592 1HG1 VAL 17 2HG1 VAL 17 -1.004 6.503 0.328 593 2HG1 VAL 17 1HG1 VAL 17 -0.016 5.049 0.434 594 3HG1 VAL 17 3HG1 VAL 17 -1.295 5.153 -0.766 595 1HG2 VAL 17 3HG2 VAL 17 -1.270 5.350 3.143 596 2HG2 VAL 17 2HG2 VAL 17 -1.836 3.672 2.997 597 3HG2 VAL 17 1HG2 VAL 17 -0.288 4.157 2.290 598 H THR 18 H THR 18 -3.764 7.541 -0.364 599 HA THR 18 HA THR 18 -2.315 9.682 1.141 600 HB THR 18 HB THR 18 -2.043 10.744 -1.087 601 HG1 THR 18 HG1 THR 18 -2.859 9.846 -2.842 602 1HG2 THR 18 2HG2 THR 18 -1.072 7.956 -0.563 603 2HG2 THR 18 1HG2 THR 18 -0.588 8.810 -2.026 604 3HG2 THR 18 3HG2 THR 18 -0.189 9.475 -0.444 605 H LEU 19 H LEU 19 -5.653 8.909 0.143 606 HA LEU 19 HA LEU 19 -6.310 11.693 -0.273 607 1HB LEU 19 2HB LEU 19 -8.681 11.061 -0.070 608 2HB LEU 19 1HB LEU 19 -7.807 10.045 -1.181 609 HG LEU 19 HG LEU 19 -9.543 8.931 0.236 610 1HD1 LEU 19 2HD1 LEU 19 -7.542 7.722 -0.812 611 2HD1 LEU 19 1HD1 LEU 19 -6.846 7.715 0.806 612 3HD1 LEU 19 3HD1 LEU 19 -8.378 6.907 0.502 613 1HD2 LEU 19 2HD2 LEU 19 -8.660 10.355 2.250 614 2HD2 LEU 19 1HD2 LEU 19 -9.386 8.771 2.490 615 3HD2 LEU 19 3HD2 LEU 19 -7.631 8.940 2.494 616 HA PRO 20 HA PRO 20 -5.612 13.328 3.641 617 1HB PRO 20 2HB PRO 20 -7.007 15.669 3.443 618 2HB PRO 20 1HB PRO 20 -5.483 15.345 2.595 619 1HG PRO 20 2HG PRO 20 -8.277 15.217 1.577 620 2HG PRO 20 1HG PRO 20 -6.815 15.833 0.791 621 1HD PRO 20 1HD PRO 20 -7.884 13.398 0.246 622 2HD PRO 20 2HD PRO 20 -6.150 13.757 0.100 623 H ASN 21 H ASN 21 -9.069 12.814 2.908 624 HA ASN 21 HA ASN 21 -9.811 13.641 5.664 625 1HB ASN 21 2HB ASN 21 -11.378 12.578 3.328 626 2HB ASN 21 1HB ASN 21 -12.102 13.091 4.838 627 1HD2 ASN 21 1HD2 ASN 21 -12.879 14.401 2.515 628 2HD2 ASN 21 2HD2 ASN 21 -12.242 15.977 2.492 629 H LEU 22 H LEU 22 -8.427 10.811 4.668 630 HA LEU 22 HA LEU 22 -10.260 8.943 6.066 631 1HB LEU 22 2HB LEU 22 -8.227 8.825 4.084 632 2HB LEU 22 1HB LEU 22 -7.699 7.834 5.426 633 HG LEU 22 HG LEU 22 -10.487 7.571 4.348 634 1HD1 LEU 22 3HD1 LEU 22 -8.049 6.992 2.906 635 2HD1 LEU 22 2HD1 LEU 22 -8.879 5.480 3.299 636 3HD1 LEU 22 1HD1 LEU 22 -9.722 6.741 2.400 637 1HD2 LEU 22 3HD2 LEU 22 -8.586 5.939 6.006 638 2HD2 LEU 22 2HD2 LEU 22 -10.258 6.377 6.348 639 3HD2 LEU 22 1HD2 LEU 22 -9.899 5.148 5.136 640 H ASN 23 H ASN 23 -9.538 7.678 7.897 641 HA ASN 23 HA ASN 23 -7.441 9.024 9.564 642 1HB ASN 23 2HB ASN 23 -8.576 8.007 11.488 643 2HB ASN 23 1HB ASN 23 -9.715 8.953 10.537 644 1HD2 ASN 23 1HD2 ASN 23 -10.667 6.942 12.295 645 2HD2 ASN 23 2HD2 ASN 23 -11.307 5.662 11.382 646 H ASP 24 H ASP 24 -5.916 7.606 10.690 647 HA ASP 24 HA ASP 24 -4.636 5.769 9.053 648 1HB ASP 24 2HB ASP 24 -3.284 5.189 11.004 649 2HB ASP 24 1HB ASP 24 -3.600 6.915 10.933 650 HA PRO 25 HA PRO 25 -6.561 1.946 11.212 651 1HB PRO 25 2HB PRO 25 -9.144 2.117 12.102 652 2HB PRO 25 1HB PRO 25 -7.734 2.406 13.137 653 1HG PRO 25 2HG PRO 25 -9.547 4.355 11.824 654 2HG PRO 25 1HG PRO 25 -8.790 4.416 13.421 655 1HD PRO 25 1HD PRO 25 -7.891 5.816 11.268 656 2HD PRO 25 2HD PRO 25 -6.865 5.310 12.615 657 H GLN 26 H GLN 26 -9.073 4.027 9.584 658 HA GLN 26 HA GLN 26 -10.306 1.808 8.213 659 1HB GLN 26 2HB GLN 26 -10.290 4.788 7.694 660 2HB GLN 26 1HB GLN 26 -11.269 3.658 6.759 661 1HG GLN 26 2HG GLN 26 -12.174 2.807 9.002 662 2HG GLN 26 1HG GLN 26 -11.426 4.226 9.731 663 1HE2 GLN 26 1HE2 GLN 26 -12.359 6.349 9.209 664 2HE2 GLN 26 2HE2 GLN 26 -13.874 6.477 8.457 665 H LYS 27 H LYS 27 -7.853 4.206 6.955 666 HA LYS 27 HA LYS 27 -7.574 2.930 4.409 667 1HB LYS 27 2HB LYS 27 -5.079 3.890 4.765 668 2HB LYS 27 1HB LYS 27 -6.455 4.871 4.269 669 1HG LYS 27 2HG LYS 27 -6.744 5.766 6.449 670 2HG LYS 27 1HG LYS 27 -5.623 4.591 7.154 671 1HD LYS 27 2HD LYS 27 -4.206 6.420 6.936 672 2HD LYS 27 1HD LYS 27 -3.963 5.642 5.376 673 1HE LYS 27 2HE LYS 27 -4.447 7.723 4.549 674 2HE LYS 27 1HE LYS 27 -6.123 7.207 4.798 675 1HZ LYS 27 2HZ LYS 27 -5.956 8.070 7.098 676 2HZ LYS 27 1HZ LYS 27 -4.415 8.688 6.734 677 3HZ LYS 27 3HZ LYS 27 -5.780 9.286 5.926 678 H LYS 28 H LYS 28 -6.185 2.178 7.568 679 HA LYS 28 HA LYS 28 -4.099 0.383 6.787 680 1HB LYS 28 2HB LYS 28 -5.602 1.140 9.163 681 2HB LYS 28 1HB LYS 28 -5.471 -0.614 9.123 682 1HG LYS 28 2HG LYS 28 -3.051 1.030 8.566 683 2HG LYS 28 1HG LYS 28 -3.570 0.836 10.227 684 1HD LYS 28 2HD LYS 28 -3.250 -1.477 10.195 685 2HD LYS 28 1HD LYS 28 -3.347 -1.564 8.434 686 1HE LYS 28 2HE LYS 28 -1.135 -0.986 8.139 687 2HE LYS 28 1HE LYS 28 -1.113 0.067 9.566 688 1HZ LYS 28 2HZ LYS 28 -1.372 -2.892 9.737 689 2HZ LYS 28 1HZ LYS 28 0.118 -2.083 9.838 690 3HZ LYS 28 3HZ LYS 28 -1.077 -1.802 11.007 691 H ALA 29 H ALA 29 -7.479 -0.447 7.791 692 HA ALA 29 HA ALA 29 -7.429 -3.167 6.834 693 1HB ALA 29 3HB ALA 29 -9.915 -2.923 7.055 694 2HB ALA 29 1HB ALA 29 -9.695 -1.186 7.267 695 3HB ALA 29 2HB ALA 29 -9.052 -2.310 8.465 696 H PHE 30 H PHE 30 -8.112 -0.072 5.263 697 HA PHE 30 HA PHE 30 -9.369 -1.011 2.854 698 1HB PHE 30 2HB PHE 30 -8.466 1.416 4.062 699 2HB PHE 30 1HB PHE 30 -7.746 1.349 2.462 700 HD1 PHE 30 HD1 PHE 30 -9.301 0.717 0.513 701 HD2 PHE 30 HD2 PHE 30 -10.676 2.122 4.333 702 HE1 PHE 30 HE1 PHE 30 -11.461 1.367 -0.492 703 HE2 PHE 30 HE2 PHE 30 -12.836 2.770 3.319 704 HZ PHE 30 HZ PHE 30 -13.224 2.397 0.913 705 H ILE 31 H ILE 31 -5.977 -0.001 3.427 706 HA ILE 31 HA ILE 31 -4.971 -0.852 0.880 707 HB ILE 31 HB ILE 31 -3.827 -0.315 3.631 708 1HG1 ILE 31 2HG1 ILE 31 -3.991 1.187 1.044 709 2HG1 ILE 31 1HG1 ILE 31 -4.076 1.791 2.714 710 1HG2 ILE 31 3HG2 ILE 31 -2.556 -2.163 2.181 711 2HG2 ILE 31 2HG2 ILE 31 -1.917 -0.735 1.353 712 3HG2 ILE 31 1HG2 ILE 31 -1.682 -0.943 3.094 713 1HD1 ILE 31 3HD1 ILE 31 -1.556 0.757 1.442 714 2HD1 ILE 31 2HD1 ILE 31 -2.019 2.448 1.432 715 3HD1 ILE 31 1HD1 ILE 31 -1.718 1.634 2.971 716 H PHE 32 H PHE 32 -5.208 -2.452 4.089 717 HA PHE 32 HA PHE 32 -3.861 -4.876 3.387 718 1HB PHE 32 2HB PHE 32 -5.783 -3.995 5.534 719 2HB PHE 32 1HB PHE 32 -5.379 -5.702 5.403 720 HD1 PHE 32 HD1 PHE 32 -3.637 -6.398 6.939 721 HD2 PHE 32 HD2 PHE 32 -3.394 -2.426 5.119 722 HE1 PHE 32 HE1 PHE 32 -1.524 -5.942 8.066 723 HE2 PHE 32 HE2 PHE 32 -1.294 -2.075 6.306 724 HZ PHE 32 HZ PHE 32 -0.352 -3.838 7.724 725 H SER 33 H SER 33 -7.327 -3.879 2.963 726 HA SER 33 HA SER 33 -8.104 -6.547 1.969 727 1HB SER 33 2HB SER 33 -10.226 -5.410 1.435 728 2HB SER 33 1HB SER 33 -9.701 -4.981 3.054 729 HG SER 33 HG SER 33 -9.659 -2.996 2.422 730 H LEU 34 H LEU 34 -6.929 -3.499 0.599 731 HA LEU 34 HA LEU 34 -7.339 -4.064 -2.211 732 1HB LEU 34 2HB LEU 34 -7.025 -1.840 -1.632 733 2HB LEU 34 1HB LEU 34 -5.801 -2.187 -0.441 734 HG LEU 34 HG LEU 34 -4.429 -2.843 -2.628 735 1HD1 LEU 34 1HD1 LEU 34 -6.834 -1.509 -3.640 736 2HD1 LEU 34 3HD1 LEU 34 -5.375 -0.616 -4.077 737 3HD1 LEU 34 2HD1 LEU 34 -5.545 -2.309 -4.544 738 1HD2 LEU 34 3HD2 LEU 34 -3.948 -1.085 -0.877 739 2HD2 LEU 34 2HD2 LEU 34 -3.477 -0.611 -2.505 740 3HD2 LEU 34 1HD2 LEU 34 -4.960 0.024 -1.800 741 H TRP 35 H TRP 35 -4.660 -4.668 0.072 742 HA TRP 35 HA TRP 35 -2.761 -5.761 -1.813 743 1HB TRP 35 2HB TRP 35 -2.269 -4.939 0.483 744 2HB TRP 35 1HB TRP 35 -3.146 -6.317 1.143 745 HD1 TRP 35 HD1 TRP 35 -1.771 -8.443 1.501 746 HE1 TRP 35 HE1 TRP 35 0.483 -9.325 0.684 747 HE3 TRP 35 HE3 TRP 35 -0.548 -4.763 -1.782 748 HZ2 TRP 35 HZ2 TRP 35 2.568 -8.550 -1.127 749 HZ3 TRP 35 HZ3 TRP 35 1.570 -4.875 -3.044 750 HH2 TRP 35 HH2 TRP 35 3.116 -6.743 -2.709 751 H ASP 36 H ASP 36 -5.247 -7.250 0.311 752 HA ASP 36 HA ASP 36 -4.670 -9.996 -0.412 753 1HB ASP 36 2HB ASP 36 -5.822 -8.975 1.685 754 2HB ASP 36 1HB ASP 36 -7.273 -8.916 0.691 755 H ASP 37 H ASP 37 -7.125 -7.602 -1.452 756 HA ASP 37 HA ASP 37 -7.774 -9.400 -3.727 757 1HB ASP 37 2HB ASP 37 -9.695 -7.654 -2.153 758 2HB ASP 37 1HB ASP 37 -10.127 -8.792 -3.425 759 HA PRO 38 HA PRO 38 -6.648 -5.133 -5.244 760 1HB PRO 38 2HB PRO 38 -4.851 -5.921 -7.122 761 2HB PRO 38 1HB PRO 38 -4.421 -5.554 -5.444 762 1HG PRO 38 2HG PRO 38 -4.840 -8.200 -6.743 763 2HG PRO 38 1HG PRO 38 -3.627 -7.713 -5.552 764 1HD PRO 38 1HD PRO 38 -5.860 -9.132 -4.914 765 2HD PRO 38 2HD PRO 38 -5.050 -8.025 -3.783 766 H SER 39 H SER 39 -8.102 -7.995 -6.448 767 HA SER 39 HA SER 39 -8.516 -7.360 -9.233 768 1HB SER 39 2HB SER 39 -9.180 -9.398 -7.501 769 2HB SER 39 1HB SER 39 -10.736 -8.605 -7.702 770 HG SER 39 HG SER 39 -9.071 -9.825 -9.622 771 H GLN 40 H GLN 40 -10.052 -6.404 -6.194 772 HA GLN 40 HA GLN 40 -12.007 -4.594 -7.527 773 1HB GLN 40 2HB GLN 40 -11.601 -4.851 -4.559 774 2HB GLN 40 1HB GLN 40 -13.095 -4.569 -5.442 775 1HG GLN 40 2HG GLN 40 -12.508 -7.049 -6.339 776 2HG GLN 40 1HG GLN 40 -11.711 -7.102 -4.765 777 1HE2 GLN 40 1HE2 GLN 40 -13.421 -5.666 -3.110 778 2HE2 GLN 40 2HE2 GLN 40 -14.958 -6.384 -3.083 779 H SER 41 H SER 41 -8.851 -4.174 -7.265 780 HA SER 41 HA SER 41 -8.281 -2.161 -5.370 781 1HB SER 41 2HB SER 41 -6.376 -1.671 -6.784 782 2HB SER 41 1HB SER 41 -6.638 -3.401 -6.678 783 HG SER 41 HG SER 41 -7.003 -3.439 -8.758 784 H ALA 42 H ALA 42 -9.628 -1.812 -8.682 785 HA ALA 42 HA ALA 42 -9.567 1.080 -8.786 786 1HB ALA 42 2HB ALA 42 -11.422 -0.963 -10.079 787 2HB ALA 42 1HB ALA 42 -11.256 0.716 -10.590 788 3HB ALA 42 3HB ALA 42 -9.894 -0.393 -10.752 789 H ASN 43 H ASN 43 -12.051 -1.292 -7.770 790 HA ASN 43 HA ASN 43 -14.041 0.582 -6.917 791 1HB ASN 43 2HB ASN 43 -14.330 -1.868 -7.458 792 2HB ASN 43 1HB ASN 43 -13.502 -2.244 -5.947 793 1HD2 ASN 43 1HD2 ASN 43 -14.713 -2.095 -3.996 794 2HD2 ASN 43 2HD2 ASN 43 -16.340 -1.614 -3.941 795 H LEU 44 H LEU 44 -11.224 -0.925 -5.305 796 HA LEU 44 HA LEU 44 -11.822 -0.137 -2.599 797 1HB LEU 44 2HB LEU 44 -9.588 -1.226 -4.193 798 2HB LEU 44 1HB LEU 44 -9.082 -0.278 -2.798 799 HG LEU 44 HG LEU 44 -11.297 -2.154 -2.278 800 1HD1 LEU 44 3HD1 LEU 44 -8.755 -3.035 -3.499 801 2HD1 LEU 44 2HD1 LEU 44 -9.155 -3.850 -1.982 802 3HD1 LEU 44 1HD1 LEU 44 -10.289 -3.908 -3.336 803 1HD2 LEU 44 1HD2 LEU 44 -8.748 -1.181 -0.956 804 2HD2 LEU 44 3HD2 LEU 44 -10.426 -0.967 -0.434 805 3HD2 LEU 44 2HD2 LEU 44 -9.650 -2.551 -0.296 806 H LEU 45 H LEU 45 -9.699 1.260 -5.038 807 HA LEU 45 HA LEU 45 -8.868 3.599 -3.681 808 1HB LEU 45 2HB LEU 45 -7.850 2.881 -5.752 809 2HB LEU 45 1HB LEU 45 -9.385 2.970 -6.607 810 HG LEU 45 HG LEU 45 -9.375 5.325 -6.640 811 1HD1 LEU 45 3HD1 LEU 45 -7.360 5.103 -4.396 812 2HD1 LEU 45 2HD1 LEU 45 -7.601 6.601 -5.301 813 3HD1 LEU 45 1HD1 LEU 45 -8.926 5.910 -4.387 814 1HD2 LEU 45 1HD2 LEU 45 -7.534 4.152 -8.000 815 2HD2 LEU 45 3HD2 LEU 45 -7.337 5.884 -7.731 816 3HD2 LEU 45 2HD2 LEU 45 -6.415 4.729 -6.766 817 H ALA 46 H ALA 46 -11.717 3.093 -5.795 818 HA ALA 46 HA ALA 46 -12.849 5.720 -5.579 819 1HB ALA 46 1HB ALA 46 -13.804 2.917 -6.120 820 2HB ALA 46 2HB ALA 46 -13.736 4.290 -7.229 821 3HB ALA 46 3HB ALA 46 -14.989 4.218 -5.988 822 H GLU 47 H GLU 47 -13.280 2.743 -3.658 823 HA GLU 47 HA GLU 47 -15.182 3.679 -1.759 824 1HB GLU 47 2HB GLU 47 -14.224 1.301 -2.377 825 2HB GLU 47 1HB GLU 47 -13.010 1.668 -1.154 826 1HG GLU 47 2HG GLU 47 -14.784 0.487 -0.036 827 2HG GLU 47 1HG GLU 47 -14.931 2.173 0.439 828 H ALA 48 H ALA 48 -11.638 3.887 -1.912 829 HA ALA 48 HA ALA 48 -11.116 4.800 0.779 830 1HB ALA 48 1HB ALA 48 -9.101 4.274 -0.135 831 2HB ALA 48 2HB ALA 48 -9.129 5.862 -0.910 832 3HB ALA 48 3HB ALA 48 -9.722 4.426 -1.777 833 H LYS 49 H LYS 49 -11.591 6.529 -2.318 834 HA LYS 49 HA LYS 49 -11.363 9.201 -1.293 835 1HB LYS 49 2HB LYS 49 -12.883 8.050 -3.664 836 2HB LYS 49 1HB LYS 49 -12.559 9.767 -3.428 837 1HG LYS 49 2HG LYS 49 -10.099 9.234 -3.380 838 2HG LYS 49 1HG LYS 49 -10.499 7.570 -3.801 839 1HD LYS 49 2HD LYS 49 -11.765 8.559 -5.812 840 2HD LYS 49 1HD LYS 49 -10.922 10.064 -5.454 841 1HE LYS 49 2HE LYS 49 -9.499 7.415 -5.917 842 2HE LYS 49 1HE LYS 49 -9.735 8.640 -7.173 843 1HZ LYS 49 2HZ LYS 49 -8.679 10.267 -5.609 844 2HZ LYS 49 1HZ LYS 49 -8.265 8.959 -4.604 845 3HZ LYS 49 3HZ LYS 49 -7.629 9.057 -6.172 846 H LYS 50 H LYS 50 -14.154 7.029 -1.820 847 HA LYS 50 HA LYS 50 -16.222 8.781 -0.826 848 1HB LYS 50 2HB LYS 50 -15.913 5.769 -1.068 849 2HB LYS 50 1HB LYS 50 -17.423 6.536 -0.570 850 1HG LYS 50 2HG LYS 50 -17.689 7.633 -2.659 851 2HG LYS 50 1HG LYS 50 -16.010 7.351 -3.118 852 1HD LYS 50 2HD LYS 50 -17.297 5.773 -4.368 853 2HD LYS 50 1HD LYS 50 -16.550 4.854 -3.065 854 1HE LYS 50 2HE LYS 50 -19.078 5.905 -2.136 855 2HE LYS 50 1HE LYS 50 -19.325 5.035 -3.661 856 1HZ LYS 50 3HZ LYS 50 -18.040 3.183 -2.781 857 2HZ LYS 50 2HZ LYS 50 -17.804 4.009 -1.314 858 3HZ LYS 50 1HZ LYS 50 -19.361 3.511 -1.772 859 H LEU 51 H LEU 51 -14.016 6.467 0.762 860 HA LEU 51 HA LEU 51 -15.211 6.462 3.385 861 1HB LEU 51 2HB LEU 51 -13.447 4.904 2.332 862 2HB LEU 51 1HB LEU 51 -12.264 6.160 2.651 863 HG LEU 51 HG LEU 51 -12.169 4.565 4.464 864 1HD1 LEU 51 2HD1 LEU 51 -12.258 7.109 5.002 865 2HD1 LEU 51 1HD1 LEU 51 -13.852 6.754 5.668 866 3HD1 LEU 51 3HD1 LEU 51 -12.419 5.963 6.327 867 1HD2 LEU 51 1HD2 LEU 51 -14.747 3.994 3.888 868 2HD2 LEU 51 3HD2 LEU 51 -13.972 3.525 5.401 869 3HD2 LEU 51 2HD2 LEU 51 -14.979 4.973 5.336 870 H ASN 52 H ASN 52 -12.500 8.379 1.970 871 HA ASN 52 HA ASN 52 -12.035 10.101 4.191 872 1HB ASN 52 2HB ASN 52 -10.490 10.935 2.723 873 2HB ASN 52 1HB ASN 52 -11.008 9.651 1.656 874 1HD2 ASN 52 1HD2 ASN 52 -10.849 10.678 -0.382 875 2HD2 ASN 52 2HD2 ASN 52 -11.669 12.099 -0.800 876 H ASP 53 H ASP 53 -14.365 10.283 1.497 877 HA ASP 53 HA ASP 53 -15.455 12.867 2.024 878 1HB ASP 53 2HB ASP 53 -15.673 11.331 -0.018 879 2HB ASP 53 1HB ASP 53 -16.914 10.470 0.890 880 H ALA 54 H ALA 54 -16.181 9.653 3.399 881 HA ALA 54 HA ALA 54 -18.699 10.279 4.640 882 1HB ALA 54 3HB ALA 54 -17.350 8.065 4.163 883 2HB ALA 54 2HB ALA 54 -16.694 8.348 5.777 884 3HB ALA 54 1HB ALA 54 -18.432 8.143 5.556 885 H GLN 55 H GLN 55 -15.334 10.662 5.747 886 HA GLN 55 HA GLN 55 -16.146 11.600 8.433 887 1HB GLN 55 2HB GLN 55 -13.608 11.009 6.923 888 2HB GLN 55 1HB GLN 55 -13.527 11.869 8.448 889 1HG GLN 55 2HG GLN 55 -14.515 10.068 9.651 890 2HG GLN 55 1HG GLN 55 -15.037 9.272 8.166 891 1HE2 GLN 55 1HE2 GLN 55 -12.808 9.237 6.589 892 2HE2 GLN 55 2HE2 GLN 55 -11.546 8.395 7.353 893 H ALA 56 H ALA 56 -14.869 12.949 5.384 894 HA ALA 56 HA ALA 56 -15.569 15.701 6.303 895 1HB ALA 56 1HB ALA 56 -13.340 15.746 6.918 896 2HB ALA 56 2HB ALA 56 -13.162 16.166 5.213 897 3HB ALA 56 3HB ALA 56 -12.897 14.505 5.745 898 HA PRO 57 HA PRO 57 -16.796 16.004 2.029 899 1HB PRO 57 2HB PRO 57 -16.653 18.714 1.651 900 2HB PRO 57 1HB PRO 57 -17.949 17.934 2.580 901 1HG PRO 57 2HG PRO 57 -15.497 19.315 3.545 902 2HG PRO 57 1HG PRO 57 -17.145 19.368 4.187 903 1HD PRO 57 1HD PRO 57 -15.172 17.870 5.298 904 2HD PRO 57 2HD PRO 57 -16.889 17.414 5.369 905 H LYS 58 H LYS 58 -15.778 16.087 -0.012 906 HA LYS 58 HA LYS 58 -12.863 16.182 -0.085 907 1HB LYS 58 2HB LYS 58 -15.042 15.913 -2.179 908 2HB LYS 58 1HB LYS 58 -13.328 15.850 -2.579 909 1HG LYS 58 2HG LYS 58 -13.044 13.957 -0.996 910 2HG LYS 58 1HG LYS 58 -14.773 13.997 -0.663 911 1HD LYS 58 2HD LYS 58 -15.193 13.644 -3.117 912 2HD LYS 58 1HD LYS 58 -13.456 13.431 -3.334 913 1HE LYS 58 2HE LYS 58 -13.689 11.248 -2.776 914 2HE LYS 58 1HE LYS 58 -14.234 11.746 -1.165 915 1HZ LYS 58 1HZ LYS 58 -16.470 12.117 -2.146 916 2HZ LYS 58 3HZ LYS 58 -15.915 11.437 -3.599 917 3HZ LYS 58 2HZ LYS 58 -15.977 10.491 -2.189 No H/Q in entry = 917 Start of MODEL 33 1 H1 VAL 1 3H VAL 1 -6.491 -13.687 15.451 2 H2 VAL 1 2H VAL 1 -6.850 -15.342 15.584 3 H3 VAL 1 1H VAL 1 -5.887 -14.579 16.761 4 HA VAL 1 HA VAL 1 -4.077 -14.291 15.249 5 HB VAL 1 HB VAL 1 -5.405 -17.031 15.134 6 1HG1 VAL 1 1HG1 VAL 1 -2.591 -16.175 14.398 7 2HG1 VAL 1 3HG1 VAL 1 -3.023 -17.846 14.763 8 3HG1 VAL 1 2HG1 VAL 1 -3.754 -17.027 13.384 9 1HG2 VAL 1 3HG2 VAL 1 -3.384 -15.729 16.980 10 2HG2 VAL 1 2HG2 VAL 1 -4.950 -16.420 17.403 11 3HG2 VAL 1 1HG2 VAL 1 -3.622 -17.474 16.923 12 H ASP 2 H ASP 2 -3.471 -13.773 13.171 13 HA ASP 2 HA ASP 2 -5.392 -14.359 10.938 14 1HB ASP 2 2HB ASP 2 -4.883 -12.169 10.068 15 2HB ASP 2 1HB ASP 2 -5.214 -11.967 11.783 16 H ASN 3 H ASN 3 -3.828 -13.677 8.763 17 HA ASN 3 HA ASN 3 -2.055 -15.957 8.494 18 1HB ASN 3 2HB ASN 3 -2.558 -13.497 6.791 19 2HB ASN 3 1HB ASN 3 -1.591 -14.870 6.263 20 1HD2 ASN 3 1HD2 ASN 3 -4.273 -13.833 5.228 21 2HD2 ASN 3 2HD2 ASN 3 -5.305 -15.179 5.299 22 H LYS 4 H LYS 4 0.240 -15.970 8.218 23 HA LYS 4 HA LYS 4 1.695 -14.005 9.835 24 1HB LYS 4 2HB LYS 4 2.197 -16.385 9.972 25 2HB LYS 4 1HB LYS 4 2.511 -16.462 8.239 26 1HG LYS 4 2HG LYS 4 4.424 -14.918 8.522 27 2HG LYS 4 1HG LYS 4 4.117 -14.859 10.258 28 1HD LYS 4 2HD LYS 4 4.547 -17.264 10.439 29 2HD LYS 4 1HD LYS 4 4.765 -17.374 8.691 30 1HE LYS 4 2HE LYS 4 6.991 -17.200 9.448 31 2HE LYS 4 1HE LYS 4 6.600 -15.510 9.088 32 1HZ LYS 4 2HZ LYS 4 6.272 -16.809 11.750 33 2HZ LYS 4 1HZ LYS 4 7.548 -15.772 11.324 34 3HZ LYS 4 3HZ LYS 4 5.962 -15.177 11.386 35 H PHE 5 H PHE 5 2.691 -15.231 6.598 36 HA PHE 5 HA PHE 5 4.087 -12.816 5.973 37 1HB PHE 5 2HB PHE 5 3.302 -15.272 4.418 38 2HB PHE 5 1HB PHE 5 4.194 -13.949 3.663 39 HD1 PHE 5 HD1 PHE 5 4.627 -17.018 5.212 40 HD2 PHE 5 HD2 PHE 5 6.175 -13.006 5.341 41 HE1 PHE 5 HE1 PHE 5 6.727 -17.857 6.222 42 HE2 PHE 5 HE2 PHE 5 8.279 -13.856 6.340 43 HZ PHE 5 HZ PHE 5 8.550 -16.277 6.787 44 H ASN 6 H ASN 6 0.786 -13.900 5.129 45 HA ASN 6 HA ASN 6 0.249 -12.052 3.018 46 1HB ASN 6 2HB ASN 6 -1.505 -13.203 5.205 47 2HB ASN 6 1HB ASN 6 -2.145 -12.301 3.838 48 1HD2 ASN 6 1HD2 ASN 6 -1.490 -13.233 1.592 49 2HD2 ASN 6 2HD2 ASN 6 -1.373 -14.922 1.465 50 H LYS 7 H LYS 7 -0.192 -11.644 6.571 51 HA LYS 7 HA LYS 7 -0.959 -8.838 6.381 52 1HB LYS 7 2HB LYS 7 -1.711 -10.244 8.159 53 2HB LYS 7 1HB LYS 7 -0.053 -10.570 8.687 54 1HG LYS 7 2HG LYS 7 -0.774 -8.896 10.162 55 2HG LYS 7 1HG LYS 7 0.025 -7.944 8.906 56 1HD LYS 7 2HD LYS 7 -1.990 -7.431 7.846 57 2HD LYS 7 1HD LYS 7 -2.877 -8.668 8.721 58 1HE LYS 7 2HE LYS 7 -1.556 -6.482 10.313 59 2HE LYS 7 1HE LYS 7 -3.088 -6.130 9.490 60 1HZ LYS 7 3HZ LYS 7 -2.603 -8.454 11.294 61 2HZ LYS 7 2HZ LYS 7 -3.460 -7.050 11.715 62 3HZ LYS 7 1HZ LYS 7 -4.067 -8.087 10.516 63 H GLU 8 H GLU 8 2.116 -10.526 6.709 64 HA GLU 8 HA GLU 8 3.766 -8.290 7.556 65 1HB GLU 8 2HB GLU 8 4.212 -10.924 6.157 66 2HB GLU 8 1HB GLU 8 5.489 -9.713 6.140 67 1HG GLU 8 2HG GLU 8 5.622 -9.677 8.514 68 2HG GLU 8 1HG GLU 8 4.167 -10.673 8.677 69 H GLN 9 H GLN 9 2.981 -9.749 4.406 70 HA GLN 9 HA GLN 9 4.207 -7.807 2.718 71 1HB GLN 9 2HB GLN 9 1.814 -9.629 2.350 72 2HB GLN 9 1HB GLN 9 2.586 -8.740 1.044 73 1HG GLN 9 2HG GLN 9 4.608 -9.995 1.260 74 2HG GLN 9 1HG GLN 9 4.056 -10.744 2.762 75 1HE2 GLN 9 1HE2 GLN 9 3.554 -10.700 -0.773 76 2HE2 GLN 9 2HE2 GLN 9 2.653 -12.137 -0.827 77 H GLN 10 H GLN 10 1.006 -8.138 4.196 78 HA GLN 10 HA GLN 10 -0.349 -5.897 3.016 79 1HB GLN 10 2HB GLN 10 -0.780 -7.950 4.887 80 2HB GLN 10 1HB GLN 10 -1.041 -6.477 5.767 81 1HG GLN 10 2HG GLN 10 -3.085 -6.399 4.852 82 2HG GLN 10 1HG GLN 10 -2.302 -6.051 3.332 83 1HE2 GLN 10 1HE2 GLN 10 -2.703 -9.061 5.337 84 2HE2 GLN 10 2HE2 GLN 10 -3.288 -10.002 4.054 85 H ASN 11 H ASN 11 1.560 -6.222 6.014 86 HA ASN 11 HA ASN 11 1.300 -3.467 6.848 87 1HB ASN 11 2HB ASN 11 1.929 -5.560 8.221 88 2HB ASN 11 1HB ASN 11 3.539 -5.430 7.504 89 1HD2 ASN 11 1HD2 ASN 11 4.976 -3.926 8.456 90 2HD2 ASN 11 2HD2 ASN 11 4.527 -2.807 9.649 91 H ALA 12 H ALA 12 3.907 -5.320 5.216 92 HA ALA 12 HA ALA 12 5.721 -3.136 4.828 93 1HB ALA 12 1HB ALA 12 5.216 -5.831 3.586 94 2HB ALA 12 2HB ALA 12 6.626 -5.269 4.496 95 3HB ALA 12 3HB ALA 12 6.377 -4.728 2.831 96 H PHE 13 H PHE 13 3.064 -4.437 2.843 97 HA PHE 13 HA PHE 13 3.345 -2.775 0.525 98 1HB PHE 13 2HB PHE 13 1.876 -4.730 0.525 99 2HB PHE 13 1HB PHE 13 0.987 -4.127 1.915 100 HD1 PHE 13 HD1 PHE 13 2.063 -2.570 -1.308 101 HD2 PHE 13 HD2 PHE 13 -1.180 -3.548 1.310 102 HE1 PHE 13 HE1 PHE 13 0.478 -1.511 -2.865 103 HE2 PHE 13 HE2 PHE 13 -2.763 -2.473 -0.242 104 HZ PHE 13 HZ PHE 13 -1.933 -1.456 -2.323 105 H TYR 14 H TYR 14 1.134 -2.481 3.308 106 HA TYR 14 HA TYR 14 0.094 0.089 2.877 107 1HB TYR 14 2HB TYR 14 -0.619 -1.565 4.544 108 2HB TYR 14 1HB TYR 14 0.858 -1.273 5.463 109 HD1 TYR 14 HD1 TYR 14 -2.263 0.330 4.205 110 HD2 TYR 14 HD2 TYR 14 1.108 0.642 6.842 111 HE1 TYR 14 HE1 TYR 14 -3.329 2.139 5.321 112 HE2 TYR 14 HE2 TYR 14 0.038 2.565 7.957 113 HH TYR 14 HH TYR 14 -2.213 3.502 8.289 114 H GLU 15 H GLU 15 2.955 -0.787 4.895 115 HA GLU 15 HA GLU 15 3.725 1.870 5.576 116 1HB GLU 15 2HB GLU 15 5.268 -0.729 5.313 117 2HB GLU 15 1HB GLU 15 5.956 0.741 6.000 118 1HG GLU 15 2HG GLU 15 3.498 -0.706 7.048 119 2HG GLU 15 1HG GLU 15 5.092 -0.732 7.788 120 H ILE 16 H ILE 16 4.730 -0.204 2.776 121 HA ILE 16 HA ILE 16 6.602 1.617 1.583 122 HB ILE 16 HB ILE 16 4.806 -0.622 0.699 123 1HG1 ILE 16 2HG1 ILE 16 7.668 -0.299 -0.060 124 2HG1 ILE 16 1HG1 ILE 16 7.307 -0.501 1.651 125 1HG2 ILE 16 3HG2 ILE 16 6.184 1.237 -1.259 126 2HG2 ILE 16 2HG2 ILE 16 5.654 -0.398 -1.670 127 3HG2 ILE 16 1HG2 ILE 16 4.471 0.823 -1.204 128 1HD1 ILE 16 3HD1 ILE 16 5.704 -2.410 0.424 129 2HD1 ILE 16 2HD1 ILE 16 7.219 -2.465 -0.498 130 3HD1 ILE 16 1HD1 ILE 16 7.251 -2.707 1.248 131 H LEU 17 H LEU 17 3.059 1.365 1.190 132 HA LEU 17 HA LEU 17 2.754 3.672 -0.557 133 1HB LEU 17 2HB LEU 17 0.798 2.329 1.352 134 2HB LEU 17 1HB LEU 17 0.356 3.439 0.058 135 HG LEU 17 HG LEU 17 2.044 1.265 -0.896 136 1HD1 LEU 17 1HD1 LEU 17 0.238 0.460 1.038 137 2HD1 LEU 17 3HD1 LEU 17 -0.628 0.211 -0.482 138 3HD1 LEU 17 2HD1 LEU 17 0.936 -0.548 -0.227 139 1HD2 LEU 17 1HD2 LEU 17 0.416 2.916 -2.117 140 2HD2 LEU 17 3HD2 LEU 17 0.581 1.234 -2.670 141 3HD2 LEU 17 2HD2 LEU 17 -0.798 1.687 -1.653 142 H HIS 18 H HIS 18 2.681 3.276 3.010 143 HA HIS 18 HA HIS 18 1.977 6.128 3.414 144 1HB HIS 18 2HB HIS 18 2.349 3.713 5.208 145 2HB HIS 18 1HB HIS 18 2.066 5.324 5.862 146 HD1 HIS 18 HD1 HIS 18 -0.341 6.288 5.662 147 HD2 HIS 18 HD2 HIS 18 0.057 2.577 3.834 148 HE1 HIS 18 HE1 HIS 18 -2.676 5.437 5.050 149 H LEU 19 H LEU 19 4.908 4.803 2.609 150 HA LEU 19 HA LEU 19 6.640 5.820 4.717 151 1HB LEU 19 2HB LEU 19 6.932 4.705 1.955 152 2HB LEU 19 1HB LEU 19 8.278 5.657 2.574 153 HG LEU 19 HG LEU 19 7.054 3.267 3.998 154 1HD1 LEU 19 2HD1 LEU 19 9.555 3.584 2.327 155 2HD1 LEU 19 1HD1 LEU 19 9.277 2.210 3.397 156 3HD1 LEU 19 3HD1 LEU 19 8.205 2.490 2.027 157 1HD2 LEU 19 2HD2 LEU 19 8.155 5.041 5.452 158 2HD2 LEU 19 1HD2 LEU 19 8.894 3.445 5.555 159 3HD2 LEU 19 3HD2 LEU 19 9.655 4.710 4.591 160 HA PRO 20 HA PRO 20 6.571 10.104 3.699 161 1HB PRO 20 2HB PRO 20 9.024 10.892 4.616 162 2HB PRO 20 1HB PRO 20 7.654 10.498 5.675 163 1HG PRO 20 2HG PRO 20 10.003 8.837 4.923 164 2HG PRO 20 1HG PRO 20 9.201 9.009 6.492 165 1HD PRO 20 1HD PRO 20 8.811 6.884 4.854 166 2HD PRO 20 2HD PRO 20 7.567 7.489 5.969 167 H ASN 21 H ASN 21 9.299 8.192 2.327 168 HA ASN 21 HA ASN 21 9.544 10.351 0.250 169 1HB ASN 21 2HB ASN 21 11.583 8.812 1.802 170 2HB ASN 21 1HB ASN 21 12.005 9.432 0.212 171 1HD2 ASN 21 1HD2 ASN 21 11.613 10.298 3.544 172 2HD2 ASN 21 2HD2 ASN 21 11.801 11.973 3.348 173 H LEU 22 H LEU 22 8.190 7.406 0.363 174 HA LEU 22 HA LEU 22 9.566 6.224 -1.990 175 1HB LEU 22 2HB LEU 22 7.299 5.419 -0.172 176 2HB LEU 22 1HB LEU 22 7.472 4.630 -1.731 177 HG LEU 22 HG LEU 22 9.166 4.403 0.715 178 1HD1 LEU 22 1HD1 LEU 22 8.300 2.615 -1.564 179 2HD1 LEU 22 3HD1 LEU 22 9.404 2.074 -0.290 180 3HD1 LEU 22 2HD1 LEU 22 7.753 2.564 0.115 181 1HD2 LEU 22 3HD2 LEU 22 10.302 4.360 -2.095 182 2HD2 LEU 22 2HD2 LEU 22 10.918 5.241 -0.687 183 3HD2 LEU 22 1HD2 LEU 22 11.051 3.473 -0.763 184 H ASN 23 H ASN 23 8.809 6.433 -4.078 185 HA ASN 23 HA ASN 23 6.349 8.113 -4.462 186 1HB ASN 23 2HB ASN 23 7.403 8.960 -6.475 187 2HB ASN 23 1HB ASN 23 8.528 9.107 -5.152 188 1HD2 ASN 23 1HD2 ASN 23 9.584 9.136 -7.742 189 2HD2 ASN 23 2HD2 ASN 23 10.399 7.680 -8.055 190 H GLU 24 H GLU 24 5.791 7.750 -7.038 191 HA GLU 24 HA GLU 24 4.320 5.310 -7.171 192 1HB GLU 24 2HB GLU 24 4.025 7.495 -8.462 193 2HB GLU 24 1HB GLU 24 5.335 6.961 -9.511 194 1HG GLU 24 2HG GLU 24 3.452 6.201 -10.677 195 2HG GLU 24 1HG GLU 24 3.913 4.773 -9.755 196 H GLU 25 H GLU 25 7.575 6.098 -8.423 197 HA GLU 25 HA GLU 25 7.946 3.625 -9.905 198 1HB GLU 25 2HB GLU 25 9.140 5.773 -10.297 199 2HB GLU 25 1HB GLU 25 9.934 5.603 -8.734 200 1HG GLU 25 2HG GLU 25 10.866 3.392 -9.548 201 2HG GLU 25 1HG GLU 25 10.234 3.791 -11.147 202 H GLN 26 H GLN 26 9.284 4.737 -6.752 203 HA GLN 26 HA GLN 26 10.552 2.231 -6.069 204 1HB GLN 26 2HB GLN 26 9.727 4.703 -4.548 205 2HB GLN 26 1HB GLN 26 10.568 3.367 -3.768 206 1HG GLN 26 2HG GLN 26 12.555 3.964 -4.670 207 2HG GLN 26 1HG GLN 26 11.857 4.123 -6.278 208 1HE2 GLN 26 1HE2 GLN 26 11.071 5.996 -3.282 209 2HE2 GLN 26 2HE2 GLN 26 11.460 7.500 -3.956 210 H ARG 27 H ARG 27 7.530 3.718 -4.797 211 HA ARG 27 HA ARG 27 6.747 1.611 -3.047 212 1HB ARG 27 2HB ARG 27 5.716 3.782 -2.978 213 2HB ARG 27 1HB ARG 27 5.260 3.711 -4.674 214 1HG ARG 27 2HG ARG 27 3.736 1.777 -4.096 215 2HG ARG 27 1HG ARG 27 4.068 2.113 -2.398 216 1HD ARG 27 2HD ARG 27 1.988 3.237 -3.096 217 2HD ARG 27 1HD ARG 27 3.230 4.442 -2.741 218 HE ARG 27 HE ARG 27 2.893 3.483 -5.550 219 1HH1 ARG 27 1HH1 ARG 27 4.493 5.880 -4.097 220 2HH1 ARG 27 2HH1 ARG 27 3.675 7.208 -4.845 221 1HH2 ARG 27 1HH2 ARG 27 1.120 5.254 -6.155 222 2HH2 ARG 27 2HH2 ARG 27 1.764 6.854 -6.014 223 H ASN 28 H ASN 28 5.805 2.082 -6.558 224 HA ASN 28 HA ASN 28 4.066 -0.221 -6.740 225 1HB ASN 28 2HB ASN 28 3.839 1.409 -8.416 226 2HB ASN 28 1HB ASN 28 5.555 1.544 -8.631 227 1HD2 ASN 28 1HD2 ASN 28 5.676 1.086 -10.889 228 2HD2 ASN 28 2HD2 ASN 28 5.179 -0.392 -11.560 229 H ALA 29 H ALA 29 7.478 0.208 -7.751 230 HA ALA 29 HA ALA 29 7.985 -2.455 -8.647 231 1HB ALA 29 2HB ALA 29 9.315 -0.211 -8.710 232 2HB ALA 29 3HB ALA 29 10.214 -1.730 -8.616 233 3HB ALA 29 1HB ALA 29 9.970 -0.758 -7.166 234 H PHE 30 H PHE 30 8.010 -0.993 -5.431 235 HA PHE 30 HA PHE 30 9.100 -3.204 -3.928 236 1HB PHE 30 2HB PHE 30 7.586 -0.670 -3.494 237 2HB PHE 30 1HB PHE 30 7.511 -1.870 -2.204 238 HD1 PHE 30 HD1 PHE 30 8.942 -1.376 -0.567 239 HD2 PHE 30 HD2 PHE 30 10.275 -0.877 -4.598 240 HE1 PHE 30 HE1 PHE 30 11.153 -0.821 0.218 241 HE2 PHE 30 HE2 PHE 30 12.553 -0.318 -3.761 242 HZ PHE 30 HZ PHE 30 12.980 -0.359 -1.333 243 H ILE 31 H ILE 31 5.807 -2.110 -4.679 244 HA ILE 31 HA ILE 31 4.377 -4.250 -3.374 245 HB ILE 31 HB ILE 31 3.758 -2.262 -5.584 246 1HG1 ILE 31 2HG1 ILE 31 2.729 -2.397 -2.773 247 2HG1 ILE 31 1HG1 ILE 31 4.272 -1.642 -3.118 248 1HG2 ILE 31 3HG2 ILE 31 2.283 -4.604 -4.754 249 2HG2 ILE 31 2HG2 ILE 31 1.408 -3.125 -4.369 250 3HG2 ILE 31 1HG2 ILE 31 1.915 -3.445 -6.025 251 1HD1 ILE 31 2HD1 ILE 31 1.617 -0.892 -4.355 252 2HD1 ILE 31 1HD1 ILE 31 2.469 0.014 -3.089 253 3HD1 ILE 31 3HD1 ILE 31 3.180 -0.128 -4.699 254 H GLN 32 H GLN 32 6.055 -4.003 -6.530 255 HA GLN 32 HA GLN 32 4.865 -6.424 -7.662 256 1HB GLN 32 2HB GLN 32 7.354 -4.782 -8.235 257 2HB GLN 32 1HB GLN 32 6.916 -6.197 -9.188 258 1HG GLN 32 2HG GLN 32 4.775 -5.177 -9.786 259 2HG GLN 32 1HG GLN 32 5.119 -3.787 -8.761 260 1HE2 GLN 32 1HE2 GLN 32 6.259 -5.490 -11.716 261 2HE2 GLN 32 2HE2 GLN 32 7.014 -4.126 -12.389 262 H SER 33 H SER 33 7.988 -5.697 -6.017 263 HA SER 33 HA SER 33 8.903 -8.445 -5.847 264 1HB SER 33 2HB SER 33 10.486 -7.404 -4.173 265 2HB SER 33 1HB SER 33 10.475 -6.644 -5.758 266 HG SER 33 HG SER 33 10.182 -4.934 -4.523 267 H LEU 34 H LEU 34 6.811 -6.466 -3.848 268 HA LEU 34 HA LEU 34 6.875 -8.160 -1.473 269 1HB LEU 34 2HB LEU 34 6.522 -5.698 -1.556 270 2HB LEU 34 1HB LEU 34 5.015 -5.952 -2.423 271 HG LEU 34 HG LEU 34 4.233 -7.308 -0.421 272 1HD1 LEU 34 2HD1 LEU 34 6.770 -6.128 0.699 273 2HD1 LEU 34 1HD1 LEU 34 5.441 -6.697 1.710 274 3HD1 LEU 34 3HD1 LEU 34 6.292 -7.827 0.658 275 1HD2 LEU 34 1HD2 LEU 34 3.702 -4.868 -0.912 276 2HD2 LEU 34 3HD2 LEU 34 3.573 -5.353 0.774 277 3HD2 LEU 34 2HD2 LEU 34 4.984 -4.456 0.228 278 H LYS 35 H LYS 35 4.445 -7.611 -4.091 279 HA LYS 35 HA LYS 35 2.581 -9.622 -3.084 280 1HB LYS 35 2HB LYS 35 2.797 -7.721 -5.331 281 2HB LYS 35 1HB LYS 35 1.974 -9.193 -5.765 282 1HG LYS 35 2HG LYS 35 0.977 -8.469 -3.237 283 2HG LYS 35 1HG LYS 35 0.959 -7.024 -4.245 284 1HD LYS 35 2HD LYS 35 0.029 -9.525 -5.533 285 2HD LYS 35 1HD LYS 35 -1.008 -8.874 -4.269 286 1HE LYS 35 2HE LYS 35 -1.675 -7.131 -5.568 287 2HE LYS 35 1HE LYS 35 -0.018 -6.809 -6.113 288 1HZ LYS 35 1HZ LYS 35 -1.585 -9.152 -7.056 289 2HZ LYS 35 3HZ LYS 35 -1.590 -7.664 -7.866 290 3HZ LYS 35 2HZ LYS 35 -0.139 -8.530 -7.702 291 H ASP 36 H ASP 36 5.270 -9.690 -5.423 292 HA ASP 36 HA ASP 36 4.689 -12.432 -6.295 293 1HB ASP 36 2HB ASP 36 7.075 -10.582 -6.625 294 2HB ASP 36 1HB ASP 36 6.943 -12.151 -7.405 295 H ASP 37 H ASP 37 6.935 -10.906 -3.926 296 HA ASP 37 HA ASP 37 7.700 -13.661 -2.988 297 1HB ASP 37 2HB ASP 37 9.412 -11.950 -4.012 298 2HB ASP 37 1HB ASP 37 9.299 -11.165 -2.435 299 HA PRO 38 HA PRO 38 5.247 -12.094 0.514 300 1HB PRO 38 2HB PRO 38 4.904 -14.542 1.691 301 2HB PRO 38 1HB PRO 38 3.920 -13.969 0.328 302 1HG PRO 38 2HG PRO 38 6.275 -15.794 0.305 303 2HG PRO 38 1HG PRO 38 4.734 -15.928 -0.560 304 1HD PRO 38 1HD PRO 38 6.964 -15.033 -1.762 305 2HD PRO 38 2HD PRO 38 5.348 -14.416 -2.173 306 H SER 39 H SER 39 7.934 -14.461 0.843 307 HA SER 39 HA SER 39 8.483 -13.984 3.624 308 1HB SER 39 2HB SER 39 10.257 -14.943 1.357 309 2HB SER 39 1HB SER 39 10.636 -15.108 3.067 310 HG SER 39 HG SER 39 9.411 -16.857 1.741 311 H GLN 40 H GLN 40 9.662 -12.301 0.698 312 HA GLN 40 HA GLN 40 11.695 -10.769 2.155 313 1HB GLN 40 2HB GLN 40 11.405 -11.484 -0.409 314 2HB GLN 40 1HB GLN 40 10.581 -9.924 -0.501 315 1HG GLN 40 2HG GLN 40 12.654 -8.987 0.734 316 2HG GLN 40 1HG GLN 40 13.440 -10.495 0.270 317 1HE2 GLN 40 1HE2 GLN 40 13.063 -7.350 -0.764 318 2HE2 GLN 40 2HE2 GLN 40 13.254 -7.582 -2.434 319 H SER 41 H SER 41 8.314 -10.483 2.216 320 HA SER 41 HA SER 41 7.769 -7.780 1.707 321 1HB SER 41 2HB SER 41 5.847 -8.138 3.238 322 2HB SER 41 1HB SER 41 6.089 -9.508 2.166 323 HG SER 41 HG SER 41 6.433 -10.699 3.860 324 H ALA 42 H ALA 42 8.798 -9.097 4.958 325 HA ALA 42 HA ALA 42 8.778 -6.536 6.283 326 1HB ALA 42 1HB ALA 42 10.644 -8.889 6.603 327 2HB ALA 42 2HB ALA 42 9.072 -8.719 7.399 328 3HB ALA 42 3HB ALA 42 10.392 -7.611 7.788 329 H ASN 43 H ASN 43 11.403 -8.273 4.563 330 HA ASN 43 HA ASN 43 13.502 -6.353 4.773 331 1HB ASN 43 2HB ASN 43 12.694 -8.588 3.002 332 2HB ASN 43 1HB ASN 43 13.813 -7.419 2.287 333 1HD2 ASN 43 1HD2 ASN 43 15.760 -6.872 3.906 334 2HD2 ASN 43 2HD2 ASN 43 16.424 -8.202 4.724 335 H LEU 44 H LEU 44 10.756 -6.668 2.545 336 HA LEU 44 HA LEU 44 11.491 -4.579 0.726 337 1HB LEU 44 2HB LEU 44 8.963 -6.013 1.465 338 2HB LEU 44 1HB LEU 44 8.954 -4.703 0.281 339 HG LEU 44 HG LEU 44 10.831 -7.057 0.168 340 1HD1 LEU 44 3HD1 LEU 44 8.217 -7.315 -0.122 341 2HD1 LEU 44 2HD1 LEU 44 8.577 -6.680 -1.728 342 3HD1 LEU 44 1HD1 LEU 44 9.346 -8.170 -1.174 343 1HD2 LEU 44 1HD2 LEU 44 10.669 -4.474 -1.114 344 2HD2 LEU 44 3HD2 LEU 44 11.874 -5.761 -1.303 345 3HD2 LEU 44 2HD2 LEU 44 10.424 -5.781 -2.320 346 H LEU 45 H LEU 45 9.442 -4.635 3.661 347 HA LEU 45 HA LEU 45 8.867 -1.781 3.430 348 1HB LEU 45 2HB LEU 45 7.446 -3.113 4.766 349 2HB LEU 45 1HB LEU 45 8.790 -3.784 5.682 350 HG LEU 45 HG LEU 45 9.221 -1.670 6.737 351 1HD1 LEU 45 2HD1 LEU 45 7.229 -0.586 4.724 352 2HD1 LEU 45 1HD1 LEU 45 7.661 0.306 6.182 353 3HD1 LEU 45 3HD1 LEU 45 8.901 -0.067 4.981 354 1HD2 LEU 45 1HD2 LEU 45 7.391 -3.058 7.628 355 2HD2 LEU 45 3HD2 LEU 45 7.119 -1.342 7.936 356 3HD2 LEU 45 2HD2 LEU 45 6.236 -2.159 6.643 357 H ALA 46 H ALA 46 11.332 -3.733 5.171 358 HA ALA 46 HA ALA 46 12.759 -1.616 6.493 359 1HB ALA 46 1HB ALA 46 13.450 -4.280 5.238 360 2HB ALA 46 3HB ALA 46 14.728 -3.254 5.899 361 3HB ALA 46 2HB ALA 46 13.431 -3.836 6.954 362 H GLU 47 H GLU 47 13.207 -2.958 3.163 363 HA GLU 47 HA GLU 47 15.298 -1.079 2.502 364 1HB GLU 47 2HB GLU 47 15.024 -1.929 0.215 365 2HB GLU 47 1HB GLU 47 15.078 -3.255 1.367 366 1HG GLU 47 2HG GLU 47 12.646 -3.369 1.290 367 2HG GLU 47 1HG GLU 47 12.647 -2.084 0.090 368 H ALA 48 H ALA 48 11.711 -1.104 2.157 369 HA ALA 48 HA ALA 48 11.532 1.299 0.571 370 1HB ALA 48 2HB ALA 48 9.840 -0.580 1.328 371 2HB ALA 48 1HB ALA 48 9.585 0.468 2.724 372 3HB ALA 48 3HB ALA 48 9.237 1.054 1.080 373 H LYS 49 H LYS 49 11.719 0.622 4.064 374 HA LYS 49 HA LYS 49 11.405 3.348 4.993 375 1HB LYS 49 2HB LYS 49 12.172 0.635 5.994 376 2HB LYS 49 1HB LYS 49 12.554 2.001 7.026 377 1HG LYS 49 2HG LYS 49 10.302 2.642 7.233 378 2HG LYS 49 1HG LYS 49 9.838 1.798 5.755 379 1HD LYS 49 2HD LYS 49 9.006 0.412 7.430 380 2HD LYS 49 1HD LYS 49 10.546 -0.344 7.019 381 1HE LYS 49 2HE LYS 49 11.626 0.640 8.923 382 2HE LYS 49 1HE LYS 49 10.227 1.685 9.241 383 1HZ LYS 49 1HZ LYS 49 10.180 -1.297 9.281 384 2HZ LYS 49 3HZ LYS 49 10.210 -0.311 10.660 385 3HZ LYS 49 2HZ LYS 49 8.867 -0.271 9.621 386 H LYS 50 H LYS 50 14.036 1.179 4.169 387 HA LYS 50 HA LYS 50 16.322 2.773 4.844 388 1HB LYS 50 2HB LYS 50 16.594 0.449 4.425 389 2HB LYS 50 1HB LYS 50 15.578 0.514 3.005 390 1HG LYS 50 2HG LYS 50 17.553 2.057 2.086 391 2HG LYS 50 1HG LYS 50 18.478 1.125 3.267 392 1HD LYS 50 2HD LYS 50 16.612 -0.206 1.272 393 2HD LYS 50 1HD LYS 50 18.312 0.118 0.902 394 1HE LYS 50 2HE LYS 50 18.952 -1.180 2.973 395 2HE LYS 50 1HE LYS 50 17.241 -1.615 3.166 396 1HZ LYS 50 2HZ LYS 50 17.261 -2.504 0.901 397 2HZ LYS 50 1HZ LYS 50 18.915 -2.138 0.756 398 3HZ LYS 50 3HZ LYS 50 18.400 -3.300 1.877 399 H LEU 51 H LEU 51 14.194 2.527 1.992 400 HA LEU 51 HA LEU 51 15.621 4.397 0.283 401 1HB LEU 51 2HB LEU 51 13.110 2.835 0.351 402 2HB LEU 51 1HB LEU 51 12.983 4.345 -0.533 403 HG LEU 51 HG LEU 51 14.615 3.700 -2.101 404 1HD1 LEU 51 1HD1 LEU 51 15.532 1.855 0.054 405 2HD1 LEU 51 3HD1 LEU 51 15.793 1.357 -1.618 406 3HD1 LEU 51 2HD1 LEU 51 16.479 2.876 -1.028 407 1HD2 LEU 51 1HD2 LEU 51 12.607 1.717 -1.327 408 2HD2 LEU 51 3HD2 LEU 51 12.958 2.416 -2.912 409 3HD2 LEU 51 2HD2 LEU 51 13.927 1.067 -2.311 410 H ASN 52 H ASN 52 12.918 4.621 2.584 411 HA ASN 52 HA ASN 52 12.100 7.265 1.989 412 1HB ASN 52 2HB ASN 52 10.557 6.800 3.575 413 2HB ASN 52 1HB ASN 52 11.298 5.215 3.657 414 1HD2 ASN 52 1HD2 ASN 52 11.915 8.503 5.125 415 2HD2 ASN 52 2HD2 ASN 52 12.232 7.882 6.670 416 H ASP 53 H ASP 53 14.627 6.068 4.206 417 HA ASP 53 HA ASP 53 15.330 8.801 5.108 418 1HB ASP 53 2HB ASP 53 16.556 6.067 5.603 419 2HB ASP 53 1HB ASP 53 17.032 7.549 6.427 420 H ALA 54 H ALA 54 16.767 6.256 3.027 421 HA ALA 54 HA ALA 54 19.262 7.610 2.486 422 1HB ALA 54 3HB ALA 54 17.702 5.583 0.843 423 2HB ALA 54 2HB ALA 54 19.422 5.937 0.680 424 3HB ALA 54 1HB ALA 54 18.811 5.189 2.155 425 H GLN 55 H GLN 55 16.153 7.500 0.704 426 HA GLN 55 HA GLN 55 17.110 9.491 -1.277 427 1HB GLN 55 2HB GLN 55 14.463 8.057 -0.917 428 2HB GLN 55 1HB GLN 55 14.907 9.035 -2.311 429 1HG GLN 55 2HG GLN 55 16.734 7.504 -2.861 430 2HG GLN 55 1HG GLN 55 16.418 6.554 -1.407 431 1HE2 GLN 55 1HE2 GLN 55 13.731 6.162 -1.366 432 2HE2 GLN 55 2HE2 GLN 55 13.206 5.380 -2.775 433 H ALA 56 H ALA 56 16.151 9.867 1.843 434 HA ALA 56 HA ALA 56 13.978 11.767 1.731 435 1HB ALA 56 1HB ALA 56 15.867 12.097 3.932 436 2HB ALA 56 3HB ALA 56 14.183 11.584 3.980 437 3HB ALA 56 2HB ALA 56 15.453 10.399 3.673 438 HA PRO 57 HA PRO 57 16.022 15.441 0.577 439 1HB PRO 57 2HB PRO 57 14.623 17.316 2.004 440 2HB PRO 57 1HB PRO 57 13.968 16.478 0.584 441 1HG PRO 57 2HG PRO 57 13.499 15.939 3.471 442 2HG PRO 57 1HG PRO 57 12.360 15.904 2.116 443 1HD PRO 57 1HD PRO 57 13.454 13.665 3.203 444 2HD PRO 57 2HD PRO 57 12.947 13.779 1.502 445 H LYS 58 H LYS 58 15.595 14.982 4.100 446 HA LYS 58 HA LYS 58 18.391 15.747 4.584 447 1HB LYS 58 2HB LYS 58 17.852 17.660 6.011 448 2HB LYS 58 1HB LYS 58 17.148 17.910 4.417 449 1HG LYS 58 2HG LYS 58 14.965 17.046 5.302 450 2HG LYS 58 1HG LYS 58 15.694 16.958 6.907 451 1HD LYS 58 2HD LYS 58 16.277 19.435 6.623 452 2HD LYS 58 1HD LYS 58 15.203 19.424 5.225 453 1HE LYS 58 2HE LYS 58 13.679 20.035 6.878 454 2HE LYS 58 1HE LYS 58 13.536 18.272 6.994 455 1HZ LYS 58 1HZ LYS 58 15.289 18.281 8.682 456 2HZ LYS 58 3HZ LYS 58 15.384 19.976 8.595 457 3HZ LYS 58 2HZ LYS 58 13.971 19.231 9.171 458 H1 VAL 1 2H VAL 1 -7.226 -12.971 -17.007 459 H2 VAL 1 1H VAL 1 -7.917 -14.522 -17.046 460 H3 VAL 1 3H VAL 1 -8.330 -13.442 -15.811 461 HA VAL 1 HA VAL 1 -6.814 -15.001 -14.861 462 HB VAL 1 HB VAL 1 -4.538 -15.259 -15.951 463 1HG1 VAL 1 3HG1 VAL 1 -6.584 -16.798 -16.286 464 2HG1 VAL 1 2HG1 VAL 1 -6.709 -16.060 -17.882 465 3HG1 VAL 1 1HG1 VAL 1 -5.252 -16.943 -17.432 466 1HG2 VAL 1 1HG2 VAL 1 -4.743 -13.118 -17.319 467 2HG2 VAL 1 3HG2 VAL 1 -4.174 -14.527 -18.212 468 3HG2 VAL 1 2HG2 VAL 1 -5.845 -13.995 -18.380 469 H ASP 2 H ASP 2 -5.145 -14.345 -13.353 470 HA ASP 2 HA ASP 2 -4.990 -11.435 -12.945 471 1HB ASP 2 2HB ASP 2 -5.306 -13.222 -11.152 472 2HB ASP 2 1HB ASP 2 -3.622 -13.674 -11.414 473 H ASN 3 H ASN 3 -3.415 -10.223 -13.909 474 HA ASN 3 HA ASN 3 -0.849 -11.554 -14.717 475 1HB ASN 3 2HB ASN 3 -2.313 -9.089 -15.737 476 2HB ASN 3 1HB ASN 3 -0.765 -9.652 -16.363 477 1HD2 ASN 3 1HD2 ASN 3 -0.878 -12.181 -16.998 478 2HD2 ASN 3 2HD2 ASN 3 -2.268 -12.631 -17.861 479 H LYS 4 H LYS 4 -0.975 -10.895 -12.048 480 HA LYS 4 HA LYS 4 0.087 -9.709 -10.333 481 1HB LYS 4 2HB LYS 4 1.841 -9.144 -12.737 482 2HB LYS 4 1HB LYS 4 2.273 -8.609 -11.114 483 1HG LYS 4 2HG LYS 4 2.065 -10.985 -10.336 484 2HG LYS 4 1HG LYS 4 1.803 -11.467 -12.015 485 1HD LYS 4 2HD LYS 4 3.992 -10.478 -12.629 486 2HD LYS 4 1HD LYS 4 4.259 -10.046 -10.940 487 1HE LYS 4 2HE LYS 4 4.047 -12.489 -10.344 488 2HE LYS 4 1HE LYS 4 3.992 -12.849 -12.080 489 1HZ LYS 4 1HZ LYS 4 6.151 -11.282 -10.755 490 2HZ LYS 4 3HZ LYS 4 6.272 -12.923 -11.155 491 3HZ LYS 4 2HZ LYS 4 6.101 -11.763 -12.383 492 H PHE 5 H PHE 5 -1.713 -8.237 -9.978 493 HA PHE 5 HA PHE 5 -1.750 -5.625 -11.346 494 1HB PHE 5 2HB PHE 5 -3.363 -6.986 -9.168 495 2HB PHE 5 1HB PHE 5 -3.689 -5.346 -9.694 496 HD1 PHE 5 HD1 PHE 5 -4.260 -4.914 -12.139 497 HD2 PHE 5 HD2 PHE 5 -4.089 -8.852 -10.443 498 HE1 PHE 5 HE1 PHE 5 -5.567 -5.793 -14.052 499 HE2 PHE 5 HE2 PHE 5 -5.397 -9.733 -12.352 500 HZ PHE 5 HZ PHE 5 -6.135 -8.206 -14.159 501 H ASN 6 H ASN 6 0.718 -6.053 -9.931 502 HA ASN 6 HA ASN 6 0.739 -4.890 -7.293 503 1HB ASN 6 2HB ASN 6 2.956 -4.996 -9.357 504 2HB ASN 6 1HB ASN 6 3.150 -4.872 -7.611 505 1HD2 ASN 6 1HD2 ASN 6 3.911 -7.082 -9.713 506 2HD2 ASN 6 2HD2 ASN 6 3.335 -8.506 -8.992 507 H LYS 7 H LYS 7 1.178 -3.578 -10.540 508 HA LYS 7 HA LYS 7 1.906 -0.892 -9.873 509 1HB LYS 7 2HB LYS 7 1.439 -2.393 -12.169 510 2HB LYS 7 1HB LYS 7 0.124 -1.218 -12.195 511 1HG LYS 7 2HG LYS 7 3.072 -0.537 -11.902 512 2HG LYS 7 1HG LYS 7 2.145 -0.389 -13.392 513 1HD LYS 7 2HD LYS 7 0.627 1.226 -12.279 514 2HD LYS 7 1HD LYS 7 1.583 1.096 -10.804 515 1HE LYS 7 2HE LYS 7 3.481 1.644 -12.800 516 2HE LYS 7 1HE LYS 7 2.107 2.700 -13.181 517 1HZ LYS 7 1HZ LYS 7 3.352 2.402 -10.492 518 2HZ LYS 7 3HZ LYS 7 3.578 3.717 -11.537 519 3HZ LYS 7 2HZ LYS 7 2.043 3.419 -10.876 520 H GLU 8 H GLU 8 -1.197 -2.513 -10.121 521 HA GLU 8 HA GLU 8 -2.892 -0.229 -9.870 522 1HB GLU 8 2HB GLU 8 -3.071 -3.124 -9.894 523 2HB GLU 8 1HB GLU 8 -4.156 -2.452 -8.678 524 1HG GLU 8 2HG GLU 8 -4.697 -0.750 -10.675 525 2HG GLU 8 1HG GLU 8 -4.194 -2.137 -11.643 526 H LEU 9 H LEU 9 -1.273 -2.230 -7.433 527 HA LEU 9 HA LEU 9 -2.664 -1.032 -5.176 528 1HB LEU 9 2HB LEU 9 0.111 -2.193 -5.048 529 2HB LEU 9 1HB LEU 9 -1.098 -2.113 -3.822 530 HG LEU 9 HG LEU 9 -1.579 -3.742 -6.286 531 1HD1 LEU 9 2HD1 LEU 9 0.180 -4.244 -3.957 532 2HD1 LEU 9 1HD1 LEU 9 -0.985 -5.541 -4.270 533 3HD1 LEU 9 3HD1 LEU 9 0.161 -5.053 -5.529 534 1HD2 LEU 9 1HD2 LEU 9 -3.489 -2.975 -4.783 535 2HD2 LEU 9 3HD2 LEU 9 -3.307 -4.736 -4.872 536 3HD2 LEU 9 2HD2 LEU 9 -2.715 -3.864 -3.462 537 H SER 10 H SER 10 0.210 -0.204 -7.032 538 HA SER 10 HA SER 10 1.315 1.744 -5.219 539 1HB SER 10 2HB SER 10 2.491 0.710 -7.111 540 2HB SER 10 1HB SER 10 1.414 1.511 -8.235 541 HG SER 10 HG SER 10 2.469 3.322 -7.933 542 H VAL 11 H VAL 11 -0.984 1.944 -7.971 543 HA VAL 11 HA VAL 11 -1.487 4.823 -7.623 544 HB VAL 11 HB VAL 11 -2.987 2.707 -9.220 545 1HG1 VAL 11 1HG1 VAL 11 -2.756 5.719 -9.504 546 2HG1 VAL 11 3HG1 VAL 11 -3.535 4.659 -10.679 547 3HG1 VAL 11 2HG1 VAL 11 -4.200 4.810 -9.055 548 1HG2 VAL 11 1HG2 VAL 11 -0.557 2.693 -9.751 549 2HG2 VAL 11 3HG2 VAL 11 -1.514 3.312 -11.101 550 3HG2 VAL 11 2HG2 VAL 11 -0.628 4.431 -10.066 551 H ALA 12 H ALA 12 -3.458 1.848 -7.179 552 HA ALA 12 HA ALA 12 -5.740 3.097 -5.979 553 1HB ALA 12 1HB ALA 12 -5.575 0.819 -7.066 554 2HB ALA 12 2HB ALA 12 -6.419 0.833 -5.519 555 3HB ALA 12 3HB ALA 12 -4.749 0.254 -5.605 556 H GLY 13 H GLY 13 -3.169 1.210 -4.494 557 1HA GLY 13 1HA GLY 13 -2.332 1.118 -2.346 558 2HA GLY 13 2HA GLY 13 -3.956 1.530 -1.808 559 H ARG 14 H ARG 14 -1.380 3.317 -3.575 560 HA ARG 14 HA ARG 14 -0.764 5.000 -1.371 561 1HB ARG 14 2HB ARG 14 0.546 4.645 -3.521 562 2HB ARG 14 1HB ARG 14 -0.535 5.823 -4.271 563 1HG ARG 14 2HG ARG 14 1.425 7.010 -3.460 564 2HG ARG 14 1HG ARG 14 0.058 7.434 -2.431 565 1HD ARG 14 2HD ARG 14 1.023 6.534 -0.602 566 2HD ARG 14 1HD ARG 14 1.477 5.058 -1.470 567 HE ARG 14 HE ARG 14 3.493 6.185 -2.239 568 1HH1 ARG 14 1HH1 ARG 14 1.981 8.962 -1.749 569 2HH1 ARG 14 2HH1 ARG 14 3.050 9.629 -0.564 570 1HH2 ARG 14 1HH2 ARG 14 4.715 6.623 0.020 571 2HH2 ARG 14 2HH2 ARG 14 4.609 8.300 0.443 572 H GLU 15 H GLU 15 -3.236 5.477 -3.949 573 HA GLU 15 HA GLU 15 -3.923 8.173 -3.121 574 1HB GLU 15 2HB GLU 15 -5.307 5.993 -4.679 575 2HB GLU 15 1HB GLU 15 -6.083 7.547 -4.370 576 1HG GLU 15 2HG GLU 15 -3.402 7.170 -5.749 577 2HG GLU 15 1HG GLU 15 -4.922 7.534 -6.561 578 H ILE 16 H ILE 16 -5.128 4.936 -2.226 579 HA ILE 16 HA ILE 16 -7.196 5.723 -0.370 580 HB ILE 16 HB ILE 16 -5.449 3.236 -0.701 581 1HG1 ILE 16 2HG1 ILE 16 -8.383 3.480 -1.333 582 2HG1 ILE 16 1HG1 ILE 16 -7.187 4.055 -2.484 583 1HG2 ILE 16 2HG2 ILE 16 -7.728 3.792 1.190 584 2HG2 ILE 16 1HG2 ILE 16 -7.464 2.156 0.570 585 3HG2 ILE 16 3HG2 ILE 16 -6.202 2.968 1.507 586 1HD1 ILE 16 2HD1 ILE 16 -6.152 1.626 -1.976 587 2HD1 ILE 16 1HD1 ILE 16 -7.848 1.279 -1.644 588 3HD1 ILE 16 3HD1 ILE 16 -7.368 1.897 -3.226 589 H VAL 17 H VAL 17 -3.693 5.442 -0.204 590 HA VAL 17 HA VAL 17 -3.362 5.663 2.694 591 HB VAL 17 HB VAL 17 -1.587 5.895 0.238 592 1HG1 VAL 17 2HG1 VAL 17 -0.983 6.786 2.946 593 2HG1 VAL 17 1HG1 VAL 17 0.162 5.594 2.334 594 3HG1 VAL 17 3HG1 VAL 17 -0.120 7.081 1.428 595 1HG2 VAL 17 3HG2 VAL 17 -2.362 3.721 2.014 596 2HG2 VAL 17 2HG2 VAL 17 -1.547 3.682 0.432 597 3HG2 VAL 17 1HG2 VAL 17 -0.608 3.909 1.894 598 H THR 18 H THR 18 -3.338 7.877 -0.124 599 HA THR 18 HA THR 18 -2.442 10.162 1.476 600 HB THR 18 HB THR 18 -2.480 11.313 -0.720 601 HG1 THR 18 HG1 THR 18 -3.295 10.353 -2.451 602 1HG2 THR 18 1HG2 THR 18 -1.066 8.746 -0.217 603 2HG2 THR 18 3HG2 THR 18 -0.961 9.413 -1.846 604 3HG2 THR 18 2HG2 THR 18 -0.410 10.365 -0.467 605 H LEU 19 H LEU 19 -5.739 9.087 0.426 606 HA LEU 19 HA LEU 19 -6.633 11.854 0.521 607 1HB LEU 19 2HB LEU 19 -8.864 11.077 0.211 608 2HB LEU 19 1HB LEU 19 -7.811 10.145 -0.811 609 HG LEU 19 HG LEU 19 -9.489 8.706 0.041 610 1HD1 LEU 19 2HD1 LEU 19 -6.993 8.192 1.662 611 2HD1 LEU 19 1HD1 LEU 19 -8.280 7.030 1.345 612 3HD1 LEU 19 3HD1 LEU 19 -7.302 7.637 0.013 613 1HD2 LEU 19 1HD2 LEU 19 -9.737 10.414 2.054 614 2HD2 LEU 19 3HD2 LEU 19 -10.363 8.768 2.121 615 3HD2 LEU 19 2HD2 LEU 19 -8.831 9.159 2.885 616 HA PRO 20 HA PRO 20 -6.233 12.171 4.858 617 1HB PRO 20 2HB PRO 20 -6.692 14.853 5.007 618 2HB PRO 20 1HB PRO 20 -5.189 14.152 4.381 619 1HG PRO 20 2HG PRO 20 -7.414 15.424 2.937 620 2HG PRO 20 1HG PRO 20 -5.709 15.279 2.492 621 1HD PRO 20 1HD PRO 20 -7.868 13.727 1.517 622 2HD PRO 20 2HD PRO 20 -6.134 13.468 1.227 623 H ASN 21 H ASN 21 -9.246 13.075 3.241 624 HA ASN 21 HA ASN 21 -10.741 13.974 5.520 625 1HB ASN 21 2HB ASN 21 -11.287 12.814 2.842 626 2HB ASN 21 1HB ASN 21 -12.622 12.813 3.990 627 1HD2 ASN 21 1HD2 ASN 21 -13.822 14.473 2.886 628 2HD2 ASN 21 2HD2 ASN 21 -13.286 16.084 2.810 629 H LEU 22 H LEU 22 -9.882 10.704 4.440 630 HA LEU 22 HA LEU 22 -11.641 9.496 6.469 631 1HB LEU 22 2HB LEU 22 -11.731 7.915 4.912 632 2HB LEU 22 1HB LEU 22 -10.553 8.770 3.940 633 HG LEU 22 HG LEU 22 -9.350 7.203 6.133 634 1HD1 LEU 22 2HD1 LEU 22 -11.118 5.932 4.047 635 2HD1 LEU 22 1HD1 LEU 22 -9.783 5.050 4.801 636 3HD1 LEU 22 3HD1 LEU 22 -11.110 5.660 5.790 637 1HD2 LEU 22 3HD2 LEU 22 -8.080 8.201 4.231 638 2HD2 LEU 22 2HD2 LEU 22 -7.901 6.450 4.285 639 3HD2 LEU 22 1HD2 LEU 22 -8.991 7.186 3.115 640 H ASN 23 H ASN 23 -10.704 7.892 8.001 641 HA ASN 23 HA ASN 23 -8.322 9.122 9.294 642 1HB ASN 23 2HB ASN 23 -9.040 7.723 11.242 643 2HB ASN 23 1HB ASN 23 -10.296 8.794 10.643 644 1HD2 ASN 23 1HD2 ASN 23 -12.233 7.647 10.971 645 2HD2 ASN 23 2HD2 ASN 23 -12.493 6.047 10.470 646 H ASP 24 H ASP 24 -6.624 7.779 10.273 647 HA ASP 24 HA ASP 24 -5.307 6.149 8.397 648 1HB ASP 24 2HB ASP 24 -3.650 5.800 10.157 649 2HB ASP 24 1HB ASP 24 -4.184 7.472 10.107 650 HA PRO 25 HA PRO 25 -6.554 2.240 10.933 651 1HB PRO 25 2HB PRO 25 -9.110 2.206 11.933 652 2HB PRO 25 1HB PRO 25 -7.688 2.651 12.895 653 1HG PRO 25 2HG PRO 25 -9.693 4.402 11.561 654 2HG PRO 25 1HG PRO 25 -8.935 4.565 13.152 655 1HD PRO 25 1HD PRO 25 -8.138 6.013 11.028 656 2HD PRO 25 2HD PRO 25 -7.023 5.496 12.302 657 H GLN 26 H GLN 26 -9.111 4.122 9.232 658 HA GLN 26 HA GLN 26 -10.290 1.819 7.933 659 1HB GLN 26 2HB GLN 26 -10.398 4.816 7.520 660 2HB GLN 26 1HB GLN 26 -11.238 3.703 6.430 661 1HG GLN 26 2HG GLN 26 -12.297 2.648 8.487 662 2HG GLN 26 1HG GLN 26 -11.637 3.982 9.423 663 1HE2 GLN 26 1HE2 GLN 26 -12.110 6.199 7.754 664 2HE2 GLN 26 2HE2 GLN 26 -13.776 6.351 7.475 665 H LYS 27 H LYS 27 -7.852 4.265 6.766 666 HA LYS 27 HA LYS 27 -7.514 3.083 4.175 667 1HB LYS 27 2HB LYS 27 -5.150 4.072 4.350 668 2HB LYS 27 1HB LYS 27 -6.516 5.188 4.387 669 1HG LYS 27 2HG LYS 27 -6.285 5.121 6.940 670 2HG LYS 27 1HG LYS 27 -4.756 4.290 6.674 671 1HD LYS 27 2HD LYS 27 -4.128 6.562 6.803 672 2HD LYS 27 1HD LYS 27 -4.209 6.257 5.069 673 1HE LYS 27 2HE LYS 27 -5.917 7.733 4.789 674 2HE LYS 27 1HE LYS 27 -6.803 7.088 6.180 675 1HZ LYS 27 1HZ LYS 27 -5.248 8.262 7.648 676 2HZ LYS 27 3HZ LYS 27 -4.460 8.922 6.297 677 3HZ LYS 27 2HZ LYS 27 -6.073 9.341 6.628 678 H LYS 28 H LYS 28 -6.013 2.304 7.305 679 HA LYS 28 HA LYS 28 -3.993 0.510 6.380 680 1HB LYS 28 2HB LYS 28 -5.672 0.783 8.903 681 2HB LYS 28 1HB LYS 28 -4.642 -0.635 8.726 682 1HG LYS 28 2HG LYS 28 -3.155 1.651 7.974 683 2HG LYS 28 1HG LYS 28 -3.893 1.998 9.520 684 1HD LYS 28 2HD LYS 28 -1.803 0.964 10.020 685 2HD LYS 28 1HD LYS 28 -3.014 -0.298 10.262 686 1HE LYS 28 2HE LYS 28 -2.397 -1.442 8.327 687 2HE LYS 28 1HE LYS 28 -1.725 0.007 7.553 688 1HZ LYS 28 1HZ LYS 28 0.019 0.032 9.272 689 2HZ LYS 28 3HZ LYS 28 -0.596 -1.410 9.924 690 3HZ LYS 28 2HZ LYS 28 0.061 -1.398 8.359 691 H ALA 29 H ALA 29 -7.307 -0.325 7.629 692 HA ALA 29 HA ALA 29 -7.353 -3.058 6.780 693 1HB ALA 29 2HB ALA 29 -9.819 -2.765 7.024 694 2HB ALA 29 3HB ALA 29 -9.589 -1.017 7.078 695 3HB ALA 29 1HB ALA 29 -8.939 -2.032 8.365 696 H PHE 30 H PHE 30 -8.062 -0.056 5.054 697 HA PHE 30 HA PHE 30 -9.302 -1.108 2.688 698 1HB PHE 30 2HB PHE 30 -8.334 1.369 3.783 699 2HB PHE 30 1HB PHE 30 -7.681 1.207 2.165 700 HD1 PHE 30 HD1 PHE 30 -9.171 0.879 0.243 701 HD2 PHE 30 HD2 PHE 30 -10.652 1.765 4.170 702 HE1 PHE 30 HE1 PHE 30 -11.354 1.548 -0.715 703 HE2 PHE 30 HE2 PHE 30 -12.830 2.432 3.206 704 HZ PHE 30 HZ PHE 30 -13.175 2.330 0.765 705 H ILE 31 H ILE 31 -5.938 -0.054 3.241 706 HA ILE 31 HA ILE 31 -4.877 -0.989 0.753 707 HB ILE 31 HB ILE 31 -3.847 -0.245 3.479 708 1HG1 ILE 31 2HG1 ILE 31 -4.110 0.960 0.793 709 2HG1 ILE 31 1HG1 ILE 31 -4.075 1.740 2.381 710 1HG2 ILE 31 3HG2 ILE 31 -2.453 -2.196 2.353 711 2HG2 ILE 31 2HG2 ILE 31 -1.868 -0.897 1.303 712 3HG2 ILE 31 1HG2 ILE 31 -1.631 -0.806 3.047 713 1HD1 ILE 31 3HD1 ILE 31 -1.576 0.567 1.238 714 2HD1 ILE 31 2HD1 ILE 31 -2.147 2.124 0.686 715 3HD1 ILE 31 1HD1 ILE 31 -1.777 1.880 2.405 716 H PHE 32 H PHE 32 -5.107 -2.442 4.003 717 HA PHE 32 HA PHE 32 -3.691 -4.840 3.437 718 1HB PHE 32 2HB PHE 32 -5.657 -3.876 5.500 719 2HB PHE 32 1HB PHE 32 -5.242 -5.588 5.473 720 HD1 PHE 32 HD1 PHE 32 -3.388 -6.296 6.818 721 HD2 PHE 32 HD2 PHE 32 -3.362 -2.205 5.208 722 HE1 PHE 32 HE1 PHE 32 -1.250 -5.824 7.890 723 HE2 PHE 32 HE2 PHE 32 -1.265 -1.814 6.367 724 HZ PHE 32 HZ PHE 32 -0.195 -3.650 7.630 725 H SER 33 H SER 33 -7.162 -3.954 2.860 726 HA SER 33 HA SER 33 -7.817 -6.687 1.934 727 1HB SER 33 2HB SER 33 -9.970 -5.710 1.403 728 2HB SER 33 1HB SER 33 -9.450 -5.024 2.932 729 HG SER 33 HG SER 33 -9.345 -3.138 2.029 730 H LEU 34 H LEU 34 -6.743 -3.612 0.497 731 HA LEU 34 HA LEU 34 -7.035 -4.204 -2.304 732 1HB LEU 34 2HB LEU 34 -6.625 -1.970 -1.523 733 2HB LEU 34 1HB LEU 34 -5.203 -2.444 -0.632 734 HG LEU 34 HG LEU 34 -4.190 -2.994 -2.909 735 1HD1 LEU 34 2HD1 LEU 34 -6.544 -2.880 -4.004 736 2HD1 LEU 34 1HD1 LEU 34 -6.321 -1.125 -3.964 737 3HD1 LEU 34 3HD1 LEU 34 -5.199 -2.144 -4.869 738 1HD2 LEU 34 3HD2 LEU 34 -3.837 -0.876 -1.459 739 2HD2 LEU 34 2HD2 LEU 34 -3.420 -0.758 -3.171 740 3HD2 LEU 34 1HD2 LEU 34 -4.943 -0.086 -2.591 741 H TRP 35 H TRP 35 -4.413 -4.827 0.029 742 HA TRP 35 HA TRP 35 -2.509 -5.971 -1.796 743 1HB TRP 35 2HB TRP 35 -2.091 -5.109 0.510 744 2HB TRP 35 1HB TRP 35 -2.924 -6.525 1.149 745 HD1 TRP 35 HD1 TRP 35 -1.466 -8.628 1.471 746 HE1 TRP 35 HE1 TRP 35 0.797 -9.410 0.596 747 HE3 TRP 35 HE3 TRP 35 -0.395 -4.815 -1.723 748 HZ2 TRP 35 HZ2 TRP 35 2.836 -8.518 -1.192 749 HZ3 TRP 35 HZ3 TRP 35 1.707 -4.824 -3.002 750 HH2 TRP 35 HH2 TRP 35 3.302 -6.649 -2.748 751 H ASP 36 H ASP 36 -5.032 -7.469 0.302 752 HA ASP 36 HA ASP 36 -4.433 -10.208 -0.289 753 1HB ASP 36 2HB ASP 36 -6.862 -8.703 0.707 754 2HB ASP 36 1HB ASP 36 -6.937 -10.441 0.430 755 H ASP 37 H ASP 37 -6.814 -7.934 -1.739 756 HA ASP 37 HA ASP 37 -6.804 -9.663 -4.144 757 1HB ASP 37 2HB ASP 37 -9.236 -8.623 -2.654 758 2HB ASP 37 1HB ASP 37 -9.305 -9.389 -4.236 759 HA PRO 38 HA PRO 38 -6.290 -5.317 -5.487 760 1HB PRO 38 2HB PRO 38 -4.828 -5.886 -7.706 761 2HB PRO 38 1HB PRO 38 -4.124 -5.687 -6.092 762 1HG PRO 38 2HG PRO 38 -4.782 -8.199 -7.567 763 2HG PRO 38 1HG PRO 38 -3.374 -7.824 -6.560 764 1HD PRO 38 1HD PRO 38 -5.466 -9.321 -5.683 765 2HD PRO 38 2HD PRO 38 -4.475 -8.309 -4.604 766 H SER 39 H SER 39 -8.017 -8.008 -6.651 767 HA SER 39 HA SER 39 -8.838 -7.194 -9.288 768 1HB SER 39 2HB SER 39 -9.256 -9.324 -7.679 769 2HB SER 39 1HB SER 39 -10.753 -8.461 -7.368 770 HG SER 39 HG SER 39 -11.195 -9.653 -9.133 771 H GLN 40 H GLN 40 -9.872 -6.387 -5.991 772 HA GLN 40 HA GLN 40 -11.957 -4.457 -6.887 773 1HB GLN 40 2HB GLN 40 -10.964 -4.842 -4.057 774 2HB GLN 40 1HB GLN 40 -12.573 -4.388 -4.591 775 1HG GLN 40 2HG GLN 40 -11.290 -7.125 -4.741 776 2HG GLN 40 1HG GLN 40 -12.642 -6.641 -3.732 777 1HE2 GLN 40 1HE2 GLN 40 -12.310 -8.658 -6.105 778 2HE2 GLN 40 2HE2 GLN 40 -13.635 -8.296 -7.105 779 H SER 41 H SER 41 -8.697 -4.217 -6.973 780 HA SER 41 HA SER 41 -7.833 -2.135 -5.297 781 1HB SER 41 2HB SER 41 -6.390 -3.504 -6.587 782 2HB SER 41 1HB SER 41 -7.099 -2.939 -8.091 783 HG SER 41 HG SER 41 -5.019 -1.960 -6.919 784 H ALA 42 H ALA 42 -9.218 -1.838 -8.619 785 HA ALA 42 HA ALA 42 -9.101 1.041 -8.764 786 1HB ALA 42 2HB ALA 42 -11.009 -0.967 -10.034 787 2HB ALA 42 1HB ALA 42 -10.775 0.695 -10.581 788 3HB ALA 42 3HB ALA 42 -9.453 -0.467 -10.700 789 H ASN 43 H ASN 43 -11.630 -1.240 -7.675 790 HA ASN 43 HA ASN 43 -13.610 0.682 -6.936 791 1HB ASN 43 2HB ASN 43 -13.912 -1.786 -7.334 792 2HB ASN 43 1HB ASN 43 -13.080 -2.085 -5.809 793 1HD2 ASN 43 1HD2 ASN 43 -14.274 -1.805 -3.856 794 2HD2 ASN 43 2HD2 ASN 43 -15.904 -1.328 -3.823 795 H LEU 44 H LEU 44 -10.807 -0.720 -5.193 796 HA LEU 44 HA LEU 44 -11.482 0.199 -2.548 797 1HB LEU 44 2HB LEU 44 -9.131 -0.830 -4.049 798 2HB LEU 44 1HB LEU 44 -8.785 0.026 -2.550 799 HG LEU 44 HG LEU 44 -11.006 -1.937 -2.444 800 1HD1 LEU 44 2HD1 LEU 44 -8.488 -2.685 -3.568 801 2HD1 LEU 44 1HD1 LEU 44 -8.560 -3.341 -1.927 802 3HD1 LEU 44 3HD1 LEU 44 -9.826 -3.741 -3.090 803 1HD2 LEU 44 3HD2 LEU 44 -8.831 -0.803 -0.711 804 2HD2 LEU 44 2HD2 LEU 44 -10.564 -0.963 -0.393 805 3HD2 LEU 44 1HD2 LEU 44 -9.512 -2.379 -0.284 806 H LEU 45 H LEU 45 -9.371 1.539 -5.012 807 HA LEU 45 HA LEU 45 -8.514 3.924 -3.778 808 1HB LEU 45 2HB LEU 45 -7.612 3.121 -5.884 809 2HB LEU 45 1HB LEU 45 -9.187 3.210 -6.654 810 HG LEU 45 HG LEU 45 -9.149 5.561 -6.744 811 1HD1 LEU 45 3HD1 LEU 45 -7.105 5.287 -4.556 812 2HD1 LEU 45 2HD1 LEU 45 -7.155 6.751 -5.549 813 3HD1 LEU 45 1HD1 LEU 45 -8.564 6.281 -4.607 814 1HD2 LEU 45 3HD2 LEU 45 -7.522 4.475 -8.287 815 2HD2 LEU 45 2HD2 LEU 45 -7.019 6.101 -7.825 816 3HD2 LEU 45 1HD2 LEU 45 -6.258 4.697 -7.075 817 H ALA 46 H ALA 46 -11.403 3.348 -5.798 818 HA ALA 46 HA ALA 46 -12.550 5.980 -5.548 819 1HB ALA 46 2HB ALA 46 -13.486 3.196 -6.224 820 2HB ALA 46 3HB ALA 46 -13.285 4.574 -7.307 821 3HB ALA 46 1HB ALA 46 -14.637 4.534 -6.174 822 H GLU 47 H GLU 47 -13.125 2.905 -3.802 823 HA GLU 47 HA GLU 47 -15.151 3.735 -2.002 824 1HB GLU 47 2HB GLU 47 -14.130 1.409 -2.611 825 2HB GLU 47 1HB GLU 47 -12.956 1.758 -1.343 826 1HG GLU 47 2HG GLU 47 -14.857 2.092 0.253 827 2HG GLU 47 1HG GLU 47 -15.979 1.646 -1.030 828 H ALA 48 H ALA 48 -11.627 4.077 -1.874 829 HA ALA 48 HA ALA 48 -11.352 4.879 0.894 830 1HB ALA 48 2HB ALA 48 -9.268 4.432 0.095 831 2HB ALA 48 1HB ALA 48 -9.765 4.687 -1.580 832 3HB ALA 48 3HB ALA 48 -9.274 6.070 -0.571 833 H LYS 49 H LYS 49 -11.437 6.766 -2.141 834 HA LYS 49 HA LYS 49 -11.509 9.383 -0.960 835 1HB LYS 49 2HB LYS 49 -12.520 8.305 -3.618 836 2HB LYS 49 1HB LYS 49 -12.298 10.017 -3.258 837 1HG LYS 49 2HG LYS 49 -9.892 9.621 -2.841 838 2HG LYS 49 1HG LYS 49 -10.107 7.911 -3.204 839 1HD LYS 49 2HD LYS 49 -11.033 8.670 -5.477 840 2HD LYS 49 1HD LYS 49 -10.378 10.262 -5.086 841 1HE LYS 49 2HE LYS 49 -8.308 8.401 -4.507 842 2HE LYS 49 1HE LYS 49 -8.971 7.934 -6.084 843 1HZ LYS 49 3HZ LYS 49 -8.192 10.705 -5.302 844 2HZ LYS 49 2HZ LYS 49 -7.266 9.671 -6.282 845 3HZ LYS 49 1HZ LYS 49 -8.780 10.223 -6.823 846 H LYS 50 H LYS 50 -14.120 7.190 -2.087 847 HA LYS 50 HA LYS 50 -16.364 8.895 -1.499 848 1HB LYS 50 2HB LYS 50 -15.986 5.889 -1.660 849 2HB LYS 50 1HB LYS 50 -17.569 6.647 -1.480 850 1HG LYS 50 2HG LYS 50 -17.242 7.897 -3.564 851 2HG LYS 50 1HG LYS 50 -15.624 7.219 -3.741 852 1HD LYS 50 2HD LYS 50 -16.668 4.924 -3.759 853 2HD LYS 50 1HD LYS 50 -18.251 5.704 -3.796 854 1HE LYS 50 2HE LYS 50 -17.843 6.668 -5.946 855 2HE LYS 50 1HE LYS 50 -16.108 6.313 -5.857 856 1HZ LYS 50 2HZ LYS 50 -16.647 3.938 -5.758 857 2HZ LYS 50 1HZ LYS 50 -18.300 4.299 -5.919 858 3HZ LYS 50 3HZ LYS 50 -17.231 4.643 -7.189 859 H LEU 51 H LEU 51 -14.607 6.484 0.495 860 HA LEU 51 HA LEU 51 -16.311 6.616 2.815 861 1HB LEU 51 2HB LEU 51 -14.675 4.820 2.421 862 2HB LEU 51 1HB LEU 51 -13.353 5.979 2.477 863 HG LEU 51 HG LEU 51 -13.694 6.389 4.820 864 1HD1 LEU 51 2HD1 LEU 51 -16.219 4.717 4.563 865 2HD1 LEU 51 1HD1 LEU 51 -15.567 5.335 6.079 866 3HD1 LEU 51 3HD1 LEU 51 -16.156 6.459 4.850 867 1HD2 LEU 51 2HD2 LEU 51 -12.552 4.260 4.205 868 2HD2 LEU 51 1HD2 LEU 51 -13.376 4.156 5.754 869 3HD2 LEU 51 3HD2 LEU 51 -14.101 3.426 4.326 870 H ASN 52 H ASN 52 -13.441 8.484 1.785 871 HA ASN 52 HA ASN 52 -13.098 10.054 4.141 872 1HB ASN 52 2HB ASN 52 -11.421 10.919 2.871 873 2HB ASN 52 1HB ASN 52 -11.878 9.723 1.691 874 1HD2 ASN 52 1HD2 ASN 52 -11.189 11.050 -0.123 875 2HD2 ASN 52 2HD2 ASN 52 -12.033 12.444 -0.589 876 H ASP 53 H ASP 53 -15.190 10.418 1.286 877 HA ASP 53 HA ASP 53 -16.229 13.018 1.800 878 1HB ASP 53 2HB ASP 53 -16.301 11.578 -0.307 879 2HB ASP 53 1HB ASP 53 -17.647 10.719 0.436 880 H ALA 54 H ALA 54 -17.244 9.783 2.924 881 HA ALA 54 HA ALA 54 -19.838 10.453 3.944 882 1HB ALA 54 2HB ALA 54 -18.543 8.208 3.508 883 2HB ALA 54 3HB ALA 54 -19.734 8.277 4.811 884 3HB ALA 54 1HB ALA 54 -18.013 8.404 5.179 885 H GLN 55 H GLN 55 -16.601 10.669 5.415 886 HA GLN 55 HA GLN 55 -17.668 11.510 8.047 887 1HB GLN 55 2HB GLN 55 -14.947 11.036 6.809 888 2HB GLN 55 1HB GLN 55 -15.129 11.596 8.460 889 1HG GLN 55 2HG GLN 55 -16.267 9.617 9.132 890 2HG GLN 55 1HG GLN 55 -16.546 9.124 7.461 891 1HE2 GLN 55 1HE2 GLN 55 -14.039 9.410 6.299 892 2HE2 GLN 55 2HE2 GLN 55 -12.933 8.375 7.071 893 H ALA 56 H ALA 56 -15.929 12.911 5.260 894 HA ALA 56 HA ALA 56 -16.612 15.664 6.213 895 1HB ALA 56 1HB ALA 56 -14.391 15.280 7.007 896 2HB ALA 56 2HB ALA 56 -14.184 16.189 5.509 897 3HB ALA 56 3HB ALA 56 -13.936 14.442 5.524 898 HA PRO 57 HA PRO 57 -17.619 16.020 1.868 899 1HB PRO 57 2HB PRO 57 -17.578 18.749 1.606 900 2HB PRO 57 1HB PRO 57 -18.904 17.871 2.394 901 1HG PRO 57 2HG PRO 57 -16.590 19.295 3.617 902 2HG PRO 57 1HG PRO 57 -18.291 19.286 4.109 903 1HD PRO 57 1HD PRO 57 -16.414 17.802 5.362 904 2HD PRO 57 2HD PRO 57 -18.101 17.263 5.201 905 H LYS 58 H LYS 58 -16.429 16.178 -0.064 906 HA LYS 58 HA LYS 58 -13.530 16.439 0.113 907 1HB LYS 58 2HB LYS 58 -15.500 16.099 -2.169 908 2HB LYS 58 1HB LYS 58 -13.756 16.135 -2.417 909 1HG LYS 58 2HG LYS 58 -13.520 14.224 -0.835 910 2HG LYS 58 1HG LYS 58 -15.274 14.157 -0.690 911 1HD LYS 58 2HD LYS 58 -15.372 13.892 -3.212 912 2HD LYS 58 1HD LYS 58 -13.621 13.696 -3.184 913 1HE LYS 58 2HE LYS 58 -13.925 11.493 -2.732 914 2HE LYS 58 1HE LYS 58 -14.659 11.952 -1.185 915 1HZ LYS 58 1HZ LYS 58 -16.762 12.354 -2.421 916 2HZ LYS 58 3HZ LYS 58 -16.036 11.703 -3.809 917 3HZ LYS 58 2HZ LYS 58 -16.269 10.729 -2.440 No H/Q in entry = 917 Start of MODEL 34 1 H1 VAL 1 2H VAL 1 -2.535 -17.019 14.631 2 H2 VAL 1 1H VAL 1 -3.138 -15.840 15.692 3 H3 VAL 1 3H VAL 1 -3.464 -17.480 15.973 4 HA VAL 1 HA VAL 1 -4.897 -17.654 14.125 5 HB VAL 1 HB VAL 1 -5.609 -16.510 16.307 6 1HG1 VAL 1 3HG1 VAL 1 -4.470 -14.320 15.833 7 2HG1 VAL 1 2HG1 VAL 1 -5.653 -14.031 14.558 8 3HG1 VAL 1 1HG1 VAL 1 -6.178 -14.152 16.235 9 1HG2 VAL 1 2HG2 VAL 1 -7.193 -17.370 14.601 10 2HG2 VAL 1 1HG2 VAL 1 -7.815 -15.935 15.415 11 3HG2 VAL 1 3HG2 VAL 1 -7.146 -15.805 13.789 12 H ASP 2 H ASP 2 -3.115 -14.546 14.042 13 HA ASP 2 HA ASP 2 -4.196 -13.811 11.402 14 1HB ASP 2 2HB ASP 2 -3.554 -12.231 13.293 15 2HB ASP 2 1HB ASP 2 -1.870 -12.627 12.955 16 H ASN 3 H ASN 3 -3.044 -13.919 9.433 17 HA ASN 3 HA ASN 3 -1.084 -16.033 9.115 18 1HB ASN 3 2HB ASN 3 -2.100 -13.811 7.315 19 2HB ASN 3 1HB ASN 3 -1.019 -15.086 6.756 20 1HD2 ASN 3 1HD2 ASN 3 -1.912 -17.438 7.366 21 2HD2 ASN 3 2HD2 ASN 3 -3.576 -17.660 7.122 22 H LYS 4 H LYS 4 1.157 -15.891 8.735 23 HA LYS 4 HA LYS 4 2.549 -13.599 9.891 24 1HB LYS 4 2HB LYS 4 3.281 -15.914 10.226 25 2HB LYS 4 1HB LYS 4 3.496 -16.129 8.490 26 1HG LYS 4 2HG LYS 4 5.236 -14.343 8.508 27 2HG LYS 4 1HG LYS 4 5.053 -14.210 10.259 28 1HD LYS 4 2HD LYS 4 5.693 -16.591 10.496 29 2HD LYS 4 1HD LYS 4 5.901 -16.699 8.748 30 1HE LYS 4 2HE LYS 4 7.599 -14.808 8.932 31 2HE LYS 4 1HE LYS 4 7.515 -15.017 10.692 32 1HZ LYS 4 2HZ LYS 4 8.052 -17.361 10.414 33 2HZ LYS 4 1HZ LYS 4 8.138 -17.168 8.727 34 3HZ LYS 4 3HZ LYS 4 9.268 -16.395 9.727 35 H PHE 5 H PHE 5 3.319 -15.137 6.729 36 HA PHE 5 HA PHE 5 4.494 -12.779 5.659 37 1HB PHE 5 2HB PHE 5 3.506 -15.354 4.426 38 2HB PHE 5 1HB PHE 5 4.365 -14.124 3.497 39 HD1 PHE 5 HD1 PHE 5 4.732 -16.952 5.652 40 HD2 PHE 5 HD2 PHE 5 6.632 -13.278 4.488 41 HE1 PHE 5 HE1 PHE 5 6.887 -17.780 6.552 42 HE2 PHE 5 HE2 PHE 5 8.788 -14.111 5.384 43 HZ PHE 5 HZ PHE 5 8.911 -16.357 6.420 44 H ASN 6 H ASN 6 1.149 -14.023 5.317 45 HA ASN 6 HA ASN 6 0.295 -12.327 3.181 46 1HB ASN 6 2HB ASN 6 -1.162 -13.438 5.599 47 2HB ASN 6 1HB ASN 6 -1.980 -12.669 4.244 48 1HD2 ASN 6 1HD2 ASN 6 -1.336 -13.697 1.988 49 2HD2 ASN 6 2HD2 ASN 6 -1.187 -15.388 1.964 50 H LYS 7 H LYS 7 0.117 -11.734 6.741 51 HA LYS 7 HA LYS 7 -0.767 -8.966 6.388 52 1HB LYS 7 2HB LYS 7 -1.486 -10.238 8.267 53 2HB LYS 7 1HB LYS 7 0.180 -10.560 8.778 54 1HG LYS 7 2HG LYS 7 -0.549 -8.805 10.186 55 2HG LYS 7 1HG LYS 7 0.334 -7.957 8.915 56 1HD LYS 7 2HD LYS 7 -1.683 -6.790 9.056 57 2HD LYS 7 1HD LYS 7 -1.891 -7.872 7.676 58 1HE LYS 7 2HE LYS 7 -3.092 -9.485 9.160 59 2HE LYS 7 1HE LYS 7 -2.937 -8.334 10.501 60 1HZ LYS 7 2HZ LYS 7 -4.054 -6.661 9.107 61 2HZ LYS 7 1HZ LYS 7 -4.283 -7.831 7.894 62 3HZ LYS 7 3HZ LYS 7 -5.045 -8.009 9.397 63 H GLU 8 H GLU 8 2.368 -10.534 6.680 64 HA GLU 8 HA GLU 8 3.923 -8.193 7.411 65 1HB GLU 8 2HB GLU 8 4.519 -10.849 6.106 66 2HB GLU 8 1HB GLU 8 5.741 -9.581 6.120 67 1HG GLU 8 2HG GLU 8 4.401 -10.790 8.555 68 2HG GLU 8 1HG GLU 8 6.065 -11.065 8.018 69 H GLN 9 H GLN 9 3.087 -9.796 4.338 70 HA GLN 9 HA GLN 9 4.258 -7.877 2.573 71 1HB GLN 9 2HB GLN 9 1.910 -9.776 2.308 72 2HB GLN 9 1HB GLN 9 2.582 -8.864 0.963 73 1HG GLN 9 2HG GLN 9 4.679 -10.011 1.124 74 2HG GLN 9 1HG GLN 9 4.196 -10.805 2.626 75 1HE2 GLN 9 1HE2 GLN 9 3.589 -10.716 -0.893 76 2HE2 GLN 9 2HE2 GLN 9 2.772 -12.203 -0.953 77 H GLN 10 H GLN 10 1.096 -8.222 4.136 78 HA GLN 10 HA GLN 10 -0.303 -6.007 2.950 79 1HB GLN 10 2HB GLN 10 -0.699 -8.051 4.832 80 2HB GLN 10 1HB GLN 10 -0.932 -6.579 5.727 81 1HG GLN 10 2HG GLN 10 -3.003 -6.486 4.865 82 2HG GLN 10 1HG GLN 10 -2.259 -6.130 3.326 83 1HE2 GLN 10 1HE2 GLN 10 -2.496 -9.195 5.272 84 2HE2 GLN 10 2HE2 GLN 10 -3.178 -10.103 4.012 85 H ASN 11 H ASN 11 1.659 -6.281 5.923 86 HA ASN 11 HA ASN 11 1.401 -3.509 6.717 87 1HB ASN 11 2HB ASN 11 1.995 -5.560 8.139 88 2HB ASN 11 1HB ASN 11 3.606 -5.487 7.418 89 1HD2 ASN 11 1HD2 ASN 11 5.083 -4.000 8.342 90 2HD2 ASN 11 2HD2 ASN 11 4.658 -2.836 9.503 91 H ALA 12 H ALA 12 3.949 -5.382 5.036 92 HA ALA 12 HA ALA 12 5.799 -3.214 4.667 93 1HB ALA 12 1HB ALA 12 5.249 -5.886 3.383 94 2HB ALA 12 2HB ALA 12 6.664 -5.372 4.311 95 3HB ALA 12 3HB ALA 12 6.432 -4.791 2.658 96 H PHE 13 H PHE 13 3.137 -4.508 2.671 97 HA PHE 13 HA PHE 13 3.373 -2.794 0.387 98 1HB PHE 13 2HB PHE 13 1.910 -4.745 0.372 99 2HB PHE 13 1HB PHE 13 1.047 -4.180 1.793 100 HD1 PHE 13 HD1 PHE 13 -1.123 -3.616 1.252 101 HD2 PHE 13 HD2 PHE 13 2.038 -2.531 -1.423 102 HE1 PHE 13 HE1 PHE 13 -2.762 -2.531 -0.238 103 HE2 PHE 13 HE2 PHE 13 0.399 -1.456 -2.916 104 HZ PHE 13 HZ PHE 13 -1.997 -1.452 -2.313 105 H TYR 14 H TYR 14 1.245 -2.541 3.246 106 HA TYR 14 HA TYR 14 0.169 0.023 2.872 107 1HB TYR 14 2HB TYR 14 -0.461 -1.645 4.562 108 2HB TYR 14 1HB TYR 14 1.044 -1.327 5.429 109 HD1 TYR 14 HD1 TYR 14 -2.109 0.250 4.212 110 HD2 TYR 14 HD2 TYR 14 1.287 0.588 6.823 111 HE1 TYR 14 HE1 TYR 14 -3.165 2.071 5.323 112 HE2 TYR 14 HE2 TYR 14 0.222 2.521 7.929 113 HH TYR 14 HH TYR 14 -2.003 3.472 8.270 114 H GLU 15 H GLU 15 3.102 -0.852 4.775 115 HA GLU 15 HA GLU 15 3.889 1.799 5.475 116 1HB GLU 15 2HB GLU 15 5.397 -0.803 5.116 117 2HB GLU 15 1HB GLU 15 6.137 0.655 5.771 118 1HG GLU 15 2HG GLU 15 3.560 -0.112 7.017 119 2HG GLU 15 1HG GLU 15 4.897 -1.221 7.313 120 H ILE 16 H ILE 16 4.852 -0.258 2.658 121 HA ILE 16 HA ILE 16 6.692 1.547 1.426 122 HB ILE 16 HB ILE 16 4.851 -0.671 0.577 123 1HG1 ILE 16 2HG1 ILE 16 7.696 -0.439 -0.254 124 2HG1 ILE 16 1HG1 ILE 16 7.403 -0.538 1.476 125 1HG2 ILE 16 2HG2 ILE 16 6.100 1.275 -1.342 126 2HG2 ILE 16 1HG2 ILE 16 5.839 -0.409 -1.800 127 3HG2 ILE 16 3HG2 ILE 16 4.470 0.611 -1.357 128 1HD1 ILE 16 2HD1 ILE 16 5.832 -2.449 -0.110 129 2HD1 ILE 16 1HD1 ILE 16 7.597 -2.692 -0.194 130 3HD1 ILE 16 3HD1 ILE 16 6.778 -2.694 1.368 131 H LEU 17 H LEU 17 3.143 1.343 1.138 132 HA LEU 17 HA LEU 17 2.811 3.660 -0.602 133 1HB LEU 17 2HB LEU 17 0.909 2.296 1.332 134 2HB LEU 17 1HB LEU 17 0.432 3.440 0.086 135 HG LEU 17 HG LEU 17 2.064 1.262 -0.972 136 1HD1 LEU 17 2HD1 LEU 17 0.292 0.462 0.989 137 2HD1 LEU 17 1HD1 LEU 17 -0.637 0.293 -0.508 138 3HD1 LEU 17 3HD1 LEU 17 0.904 -0.532 -0.324 139 1HD2 LEU 17 3HD2 LEU 17 0.314 3.025 -1.994 140 2HD2 LEU 17 2HD2 LEU 17 0.667 1.448 -2.742 141 3HD2 LEU 17 1HD2 LEU 17 -0.763 1.630 -1.702 142 H HIS 18 H HIS 18 2.698 3.244 2.960 143 HA HIS 18 HA HIS 18 1.941 6.065 3.391 144 1HB HIS 18 2HB HIS 18 2.370 3.631 5.133 145 2HB HIS 18 1HB HIS 18 2.073 5.223 5.833 146 HD1 HIS 18 HD1 HIS 18 -0.328 6.167 5.677 147 HD2 HIS 18 HD2 HIS 18 0.085 2.522 3.722 148 HE1 HIS 18 HE1 HIS 18 -2.651 5.345 5.030 149 H LEU 19 H LEU 19 4.996 4.665 2.839 150 HA LEU 19 HA LEU 19 6.559 5.934 4.928 151 1HB LEU 19 2HB LEU 19 7.084 4.732 2.218 152 2HB LEU 19 1HB LEU 19 8.360 5.683 2.973 153 HG LEU 19 HG LEU 19 6.970 3.380 4.379 154 1HD1 LEU 19 1HD1 LEU 19 9.466 3.433 2.667 155 2HD1 LEU 19 3HD1 LEU 19 9.140 2.153 3.836 156 3HD1 LEU 19 2HD1 LEU 19 8.048 2.404 2.476 157 1HD2 LEU 19 3HD2 LEU 19 8.354 5.277 5.601 158 2HD2 LEU 19 2HD2 LEU 19 8.602 3.586 6.048 159 3HD2 LEU 19 1HD2 LEU 19 9.739 4.391 4.967 160 HA PRO 20 HA PRO 20 5.941 10.122 3.529 161 1HB PRO 20 2HB PRO 20 7.948 11.304 4.985 162 2HB PRO 20 1HB PRO 20 6.380 10.819 5.662 163 1HG PRO 20 2HG PRO 20 8.991 9.371 5.721 164 2HG PRO 20 1HG PRO 20 7.819 9.624 7.025 165 1HD PRO 20 1HD PRO 20 7.941 7.300 5.708 166 2HD PRO 20 2HD PRO 20 6.384 7.979 6.238 167 H ASN 21 H ASN 21 8.952 8.371 2.886 168 HA ASN 21 HA ASN 21 9.699 10.555 0.966 169 1HB ASN 21 2HB ASN 21 11.381 8.684 2.640 170 2HB ASN 21 1HB ASN 21 12.051 9.686 1.355 171 1HD2 ASN 21 1HD2 ASN 21 11.428 9.672 4.679 172 2HD2 ASN 21 2HD2 ASN 21 11.434 11.348 4.943 173 H LEU 22 H LEU 22 8.137 7.731 0.789 174 HA LEU 22 HA LEU 22 9.775 6.506 -1.371 175 1HB LEU 22 2HB LEU 22 7.402 5.696 0.292 176 2HB LEU 22 1HB LEU 22 7.606 4.940 -1.281 177 HG LEU 22 HG LEU 22 9.229 4.622 1.203 178 1HD1 LEU 22 2HD1 LEU 22 8.407 2.899 -1.141 179 2HD1 LEU 22 1HD1 LEU 22 9.488 2.323 0.134 180 3HD1 LEU 22 3HD1 LEU 22 7.833 2.801 0.524 181 1HD2 LEU 22 1HD2 LEU 22 10.439 4.525 -1.581 182 2HD2 LEU 22 3HD2 LEU 22 10.943 5.567 -0.233 183 3HD2 LEU 22 2HD2 LEU 22 11.183 3.815 -0.144 184 H ASN 23 H ASN 23 9.255 6.705 -3.489 185 HA ASN 23 HA ASN 23 6.861 8.376 -4.175 186 1HB ASN 23 2HB ASN 23 8.138 9.028 -6.168 187 2HB ASN 23 1HB ASN 23 9.064 9.338 -4.723 188 1HD2 ASN 23 1HD2 ASN 23 10.336 9.067 -7.274 189 2HD2 ASN 23 2HD2 ASN 23 11.270 7.651 -7.266 190 H GLU 24 H GLU 24 6.478 7.896 -6.731 191 HA GLU 24 HA GLU 24 5.134 5.354 -6.827 192 1HB GLU 24 2HB GLU 24 4.451 6.069 -8.988 193 2HB GLU 24 1HB GLU 24 4.712 7.570 -8.116 194 1HG GLU 24 2HG GLU 24 6.905 6.352 -9.813 195 2HG GLU 24 1HG GLU 24 5.664 7.376 -10.523 196 H GLU 25 H GLU 25 8.421 6.289 -7.831 197 HA GLU 25 HA GLU 25 8.938 3.937 -9.443 198 1HB GLU 25 2HB GLU 25 10.210 6.086 -9.508 199 2HB GLU 25 1HB GLU 25 10.813 5.756 -7.886 200 1HG GLU 25 2HG GLU 25 11.826 3.629 -8.750 201 2HG GLU 25 1HG GLU 25 11.328 4.100 -10.375 202 H GLN 26 H GLN 26 9.900 4.781 -6.073 203 HA GLN 26 HA GLN 26 10.903 2.116 -5.473 204 1HB GLN 26 2HB GLN 26 10.183 4.469 -3.709 205 2HB GLN 26 1HB GLN 26 11.072 3.048 -3.172 206 1HG GLN 26 2HG GLN 26 11.951 5.117 -5.207 207 2HG GLN 26 1HG GLN 26 12.711 4.733 -3.669 208 1HE2 GLN 26 1HE2 GLN 26 13.463 4.447 -6.771 209 2HE2 GLN 26 2HE2 GLN 26 14.190 2.914 -6.806 210 H ARG 27 H ARG 27 7.971 3.865 -4.321 211 HA ARG 27 HA ARG 27 6.898 1.779 -2.739 212 1HB ARG 27 2HB ARG 27 6.104 4.120 -2.762 213 2HB ARG 27 1HB ARG 27 5.482 3.896 -4.393 214 1HG ARG 27 2HG ARG 27 4.027 2.045 -3.474 215 2HG ARG 27 1HG ARG 27 4.485 2.595 -1.863 216 1HD ARG 27 2HD ARG 27 2.394 3.679 -2.451 217 2HD ARG 27 1HD ARG 27 3.668 4.909 -2.545 218 HE ARG 27 HE ARG 27 2.786 3.381 -4.974 219 1HH1 ARG 27 1HH1 ARG 27 4.709 5.962 -3.987 220 2HH1 ARG 27 2HH1 ARG 27 4.065 7.102 -5.114 221 1HH2 ARG 27 1HH2 ARG 27 1.477 5.029 -6.169 222 2HH2 ARG 27 2HH2 ARG 27 2.235 6.574 -6.356 223 H ASN 28 H ASN 28 6.144 2.519 -6.210 224 HA ASN 28 HA ASN 28 4.220 0.385 -6.495 225 1HB ASN 28 2HB ASN 28 5.848 1.788 -8.606 226 2HB ASN 28 1HB ASN 28 4.381 0.896 -8.894 227 1HD2 ASN 28 1HD2 ASN 28 4.257 3.453 -9.789 228 2HD2 ASN 28 2HD2 ASN 28 3.358 4.440 -8.740 229 H ALA 29 H ALA 29 7.705 0.608 -7.309 230 HA ALA 29 HA ALA 29 7.986 -1.988 -8.518 231 1HB ALA 29 2HB ALA 29 9.595 0.050 -8.269 232 2HB ALA 29 1HB ALA 29 10.039 -0.715 -6.735 233 3HB ALA 29 3HB ALA 29 10.277 -1.579 -8.257 234 H PHE 30 H PHE 30 8.068 -0.855 -5.156 235 HA PHE 30 HA PHE 30 8.877 -3.279 -3.883 236 1HB PHE 30 2HB PHE 30 7.348 -0.802 -3.132 237 2HB PHE 30 1HB PHE 30 7.469 -2.133 -1.985 238 HD1 PHE 30 HD1 PHE 30 10.313 -2.989 -3.214 239 HD2 PHE 30 HD2 PHE 30 8.675 0.644 -1.617 240 HE1 PHE 30 HE1 PHE 30 12.551 -2.290 -2.534 241 HE2 PHE 30 HE2 PHE 30 10.940 1.347 -0.938 242 HZ PHE 30 HZ PHE 30 12.874 -0.168 -1.387 243 H ILE 31 H ILE 31 5.682 -1.996 -4.695 244 HA ILE 31 HA ILE 31 4.194 -4.180 -3.558 245 HB ILE 31 HB ILE 31 3.616 -2.116 -5.724 246 1HG1 ILE 31 2HG1 ILE 31 2.612 -2.273 -2.905 247 2HG1 ILE 31 1HG1 ILE 31 4.168 -1.545 -3.246 248 1HG2 ILE 31 3HG2 ILE 31 2.103 -4.438 -4.825 249 2HG2 ILE 31 2HG2 ILE 31 1.258 -2.918 -4.561 250 3HG2 ILE 31 1HG2 ILE 31 1.802 -3.351 -6.175 251 1HD1 ILE 31 3HD1 ILE 31 1.617 -0.727 -4.640 252 2HD1 ILE 31 2HD1 ILE 31 2.222 0.048 -3.154 253 3HD1 ILE 31 1HD1 ILE 31 3.189 0.120 -4.630 254 H GLN 32 H GLN 32 5.949 -3.787 -6.649 255 HA GLN 32 HA GLN 32 4.773 -6.159 -7.899 256 1HB GLN 32 2HB GLN 32 7.263 -4.508 -8.418 257 2HB GLN 32 1HB GLN 32 6.752 -5.842 -9.453 258 1HG GLN 32 2HG GLN 32 4.511 -4.675 -9.686 259 2HG GLN 32 1HG GLN 32 5.224 -3.289 -8.868 260 1HE2 GLN 32 1HE2 GLN 32 7.813 -3.235 -10.053 261 2HE2 GLN 32 2HE2 GLN 32 7.648 -2.939 -11.714 262 H SER 33 H SER 33 7.827 -5.475 -6.121 263 HA SER 33 HA SER 33 8.817 -8.220 -6.151 264 1HB SER 33 2HB SER 33 10.374 -7.203 -4.389 265 2HB SER 33 1HB SER 33 10.404 -6.474 -5.987 266 HG SER 33 HG SER 33 8.929 -5.550 -3.730 267 H LEU 34 H LEU 34 6.759 -6.379 -4.000 268 HA LEU 34 HA LEU 34 6.918 -8.148 -1.694 269 1HB LEU 34 2HB LEU 34 6.488 -5.699 -1.694 270 2HB LEU 34 1HB LEU 34 4.974 -5.974 -2.540 271 HG LEU 34 HG LEU 34 4.277 -7.408 -0.559 272 1HD1 LEU 34 1HD1 LEU 34 6.805 -6.173 0.517 273 2HD1 LEU 34 3HD1 LEU 34 5.510 -6.763 1.560 274 3HD1 LEU 34 2HD1 LEU 34 6.353 -7.877 0.483 275 1HD2 LEU 34 2HD2 LEU 34 3.777 -4.897 -1.034 276 2HD2 LEU 34 1HD2 LEU 34 3.464 -5.533 0.576 277 3HD2 LEU 34 3HD2 LEU 34 4.920 -4.593 0.276 278 H LYS 35 H LYS 35 4.415 -7.565 -4.221 279 HA LYS 35 HA LYS 35 2.657 -9.704 -3.285 280 1HB LYS 35 2HB LYS 35 2.747 -7.663 -5.414 281 2HB LYS 35 1HB LYS 35 1.963 -9.133 -5.918 282 1HG LYS 35 2HG LYS 35 1.076 -8.526 -3.289 283 2HG LYS 35 1HG LYS 35 0.877 -7.107 -4.316 284 1HD LYS 35 2HD LYS 35 -0.011 -9.046 -5.988 285 2HD LYS 35 1HD LYS 35 -0.462 -9.740 -4.432 286 1HE LYS 35 2HE LYS 35 -2.291 -8.394 -4.525 287 2HE LYS 35 1HE LYS 35 -1.177 -7.059 -4.182 288 1HZ LYS 35 1HZ LYS 35 -0.700 -6.980 -6.614 289 2HZ LYS 35 3HZ LYS 35 -1.962 -8.086 -6.860 290 3HZ LYS 35 2HZ LYS 35 -2.292 -6.551 -6.217 291 H ASP 36 H ASP 36 5.340 -9.516 -5.608 292 HA ASP 36 HA ASP 36 4.901 -12.176 -6.744 293 1HB ASP 36 2HB ASP 36 6.080 -10.265 -7.864 294 2HB ASP 36 1HB ASP 36 7.377 -10.410 -6.679 295 H ASP 37 H ASP 37 7.133 -10.824 -4.244 296 HA ASP 37 HA ASP 37 7.790 -13.634 -3.409 297 1HB ASP 37 2HB ASP 37 9.547 -11.927 -4.365 298 2HB ASP 37 1HB ASP 37 9.468 -11.215 -2.753 299 HA PRO 38 HA PRO 38 5.410 -12.160 0.185 300 1HB PRO 38 2HB PRO 38 5.054 -14.653 1.271 301 2HB PRO 38 1HB PRO 38 4.054 -14.013 -0.048 302 1HG PRO 38 2HG PRO 38 6.390 -15.861 -0.191 303 2HG PRO 38 1HG PRO 38 4.829 -15.950 -1.026 304 1HD PRO 38 1HD PRO 38 7.033 -15.033 -2.247 305 2HD PRO 38 2HD PRO 38 5.419 -14.373 -2.588 306 H SER 39 H SER 39 8.111 -14.525 0.305 307 HA SER 39 HA SER 39 8.737 -14.217 3.095 308 1HB SER 39 2HB SER 39 10.440 -15.035 0.720 309 2HB SER 39 1HB SER 39 10.880 -15.292 2.406 310 HG SER 39 HG SER 39 9.277 -16.747 2.613 311 H GLN 40 H GLN 40 9.856 -12.390 0.226 312 HA GLN 40 HA GLN 40 11.865 -10.888 1.760 313 1HB GLN 40 2HB GLN 40 11.591 -11.546 -0.842 314 2HB GLN 40 1HB GLN 40 10.831 -9.953 -0.887 315 1HG GLN 40 2HG GLN 40 12.930 -9.177 0.452 316 2HG GLN 40 1HG GLN 40 13.655 -10.674 -0.132 317 1HE2 GLN 40 1HE2 GLN 40 13.176 -7.416 -0.945 318 2HE2 GLN 40 2HE2 GLN 40 13.458 -7.535 -2.614 319 H SER 41 H SER 41 8.498 -10.662 1.809 320 HA SER 41 HA SER 41 7.907 -7.955 1.327 321 1HB SER 41 2HB SER 41 5.942 -8.397 2.741 322 2HB SER 41 1HB SER 41 6.296 -9.799 1.741 323 HG SER 41 HG SER 41 6.656 -10.909 3.492 324 H ALA 42 H ALA 42 8.926 -9.350 4.548 325 HA ALA 42 HA ALA 42 8.837 -6.824 5.941 326 1HB ALA 42 3HB ALA 42 10.689 -9.191 6.230 327 2HB ALA 42 1HB ALA 42 9.131 -8.997 7.039 328 3HB ALA 42 2HB ALA 42 10.474 -7.919 7.432 329 H ASN 43 H ASN 43 11.486 -8.470 4.171 330 HA ASN 43 HA ASN 43 13.568 -6.543 4.492 331 1HB ASN 43 2HB ASN 43 12.874 -8.798 2.759 332 2HB ASN 43 1HB ASN 43 13.768 -7.536 1.897 333 1HD2 ASN 43 1HD2 ASN 43 14.014 -8.860 5.281 334 2HD2 ASN 43 2HD2 ASN 43 15.679 -9.169 5.183 335 H LEU 44 H LEU 44 10.859 -6.804 2.209 336 HA LEU 44 HA LEU 44 11.584 -4.628 0.488 337 1HB LEU 44 2HB LEU 44 9.056 -6.101 1.138 338 2HB LEU 44 1HB LEU 44 9.067 -4.758 -0.010 339 HG LEU 44 HG LEU 44 10.963 -7.095 -0.150 340 1HD1 LEU 44 2HD1 LEU 44 8.361 -7.385 -0.468 341 2HD1 LEU 44 1HD1 LEU 44 8.717 -6.704 -2.055 342 3HD1 LEU 44 3HD1 LEU 44 9.509 -8.195 -1.539 343 1HD2 LEU 44 1HD2 LEU 44 10.871 -4.487 -1.334 344 2HD2 LEU 44 2HD2 LEU 44 10.523 -5.706 -2.607 345 3HD2 LEU 44 3HD2 LEU 44 12.005 -5.816 -1.644 346 H LEU 45 H LEU 45 9.564 -4.833 3.416 347 HA LEU 45 HA LEU 45 8.934 -1.981 3.299 348 1HB LEU 45 2HB LEU 45 7.548 -3.411 4.592 349 2HB LEU 45 1HB LEU 45 8.917 -4.056 5.490 350 HG LEU 45 HG LEU 45 9.276 -1.969 6.602 351 1HD1 LEU 45 3HD1 LEU 45 7.309 -0.878 4.573 352 2HD1 LEU 45 2HD1 LEU 45 7.692 -0.009 6.057 353 3HD1 LEU 45 1HD1 LEU 45 8.963 -0.334 4.877 354 1HD2 LEU 45 1HD2 LEU 45 7.401 -3.438 7.357 355 2HD2 LEU 45 3HD2 LEU 45 7.212 -1.747 7.822 356 3HD2 LEU 45 2HD2 LEU 45 6.290 -2.397 6.467 357 H ALA 46 H ALA 46 11.420 -3.983 4.945 358 HA ALA 46 HA ALA 46 12.831 -1.913 6.347 359 1HB ALA 46 3HB ALA 46 13.548 -4.520 4.992 360 2HB ALA 46 2HB ALA 46 14.818 -3.510 5.697 361 3HB ALA 46 1HB ALA 46 13.522 -4.143 6.722 362 H GLU 47 H GLU 47 13.297 -3.102 2.962 363 HA GLU 47 HA GLU 47 15.365 -1.166 2.395 364 1HB GLU 47 2HB GLU 47 15.092 -1.919 0.054 365 2HB GLU 47 1HB GLU 47 15.256 -3.266 1.166 366 1HG GLU 47 2HG GLU 47 12.738 -3.381 1.134 367 2HG GLU 47 1HG GLU 47 12.817 -2.277 -0.240 368 H ALA 48 H ALA 48 11.781 -1.235 1.995 369 HA ALA 48 HA ALA 48 11.603 1.258 0.571 370 1HB ALA 48 3HB ALA 48 9.884 -0.527 0.883 371 2HB ALA 48 2HB ALA 48 9.762 -0.055 2.585 372 3HB ALA 48 1HB ALA 48 9.282 1.073 1.308 373 H LYS 49 H LYS 49 11.795 0.399 4.031 374 HA LYS 49 HA LYS 49 11.399 3.106 5.030 375 1HB LYS 49 2HB LYS 49 11.922 0.366 5.992 376 2HB LYS 49 1HB LYS 49 12.588 1.622 7.025 377 1HG LYS 49 2HG LYS 49 10.514 2.501 7.528 378 2HG LYS 49 1HG LYS 49 9.838 2.056 5.964 379 1HD LYS 49 2HD LYS 49 8.769 0.555 7.354 380 2HD LYS 49 1HD LYS 49 10.166 -0.387 6.836 381 1HE LYS 49 2HE LYS 49 11.326 0.027 8.868 382 2HE LYS 49 1HE LYS 49 10.197 1.320 9.325 383 1HZ LYS 49 3HZ LYS 49 8.404 -0.311 9.402 384 2HZ LYS 49 2HZ LYS 49 9.483 -1.554 8.975 385 3HZ LYS 49 1HZ LYS 49 9.646 -0.760 10.465 386 H LYS 50 H LYS 50 14.052 1.000 4.161 387 HA LYS 50 HA LYS 50 16.324 2.538 5.018 388 1HB LYS 50 2HB LYS 50 16.636 0.261 4.433 389 2HB LYS 50 1HB LYS 50 15.606 0.404 3.027 390 1HG LYS 50 2HG LYS 50 17.547 1.995 2.157 391 2HG LYS 50 1HG LYS 50 18.504 1.055 3.307 392 1HD LYS 50 2HD LYS 50 16.670 -0.247 1.258 393 2HD LYS 50 1HD LYS 50 18.373 0.096 0.928 394 1HE LYS 50 2HE LYS 50 17.690 -1.398 3.454 395 2HE LYS 50 1HE LYS 50 17.653 -2.269 1.910 396 1HZ LYS 50 3HZ LYS 50 19.881 -1.456 1.425 397 2HZ LYS 50 2HZ LYS 50 19.927 -0.620 2.905 398 3HZ LYS 50 1HZ LYS 50 19.875 -2.317 2.884 399 H LEU 51 H LEU 51 14.263 2.468 2.106 400 HA LEU 51 HA LEU 51 15.694 4.492 0.579 401 1HB LEU 51 2HB LEU 51 13.197 2.901 0.488 402 2HB LEU 51 1HB LEU 51 13.082 4.467 -0.299 403 HG LEU 51 HG LEU 51 14.615 3.912 -1.932 404 1HD1 LEU 51 2HD1 LEU 51 15.780 2.082 0.143 405 2HD1 LEU 51 1HD1 LEU 51 16.104 1.771 -1.563 406 3HD1 LEU 51 3HD1 LEU 51 16.587 3.308 -0.838 407 1HD2 LEU 51 2HD2 LEU 51 13.087 1.523 -1.008 408 2HD2 LEU 51 1HD2 LEU 51 12.904 2.469 -2.487 409 3HD2 LEU 51 3HD2 LEU 51 14.242 1.329 -2.331 410 H ASN 52 H ASN 52 12.985 4.464 2.857 411 HA ASN 52 HA ASN 52 11.995 7.087 2.553 412 1HB ASN 52 2HB ASN 52 11.047 5.155 3.861 413 2HB ASN 52 1HB ASN 52 12.264 5.459 5.098 414 1HD2 ASN 52 1HD2 ASN 52 11.799 7.049 6.638 415 2HD2 ASN 52 2HD2 ASN 52 10.477 8.108 6.543 416 H ASP 53 H ASP 53 14.639 5.853 4.633 417 HA ASP 53 HA ASP 53 15.291 8.511 5.721 418 1HB ASP 53 2HB ASP 53 16.743 5.842 5.813 419 2HB ASP 53 1HB ASP 53 17.130 7.248 6.801 420 H ALA 54 H ALA 54 16.692 6.317 3.260 421 HA ALA 54 HA ALA 54 19.060 7.879 2.698 422 1HB ALA 54 1HB ALA 54 17.487 5.939 0.965 423 2HB ALA 54 3HB ALA 54 19.168 6.415 0.715 424 3HB ALA 54 2HB ALA 54 18.718 5.480 2.143 425 H GLN 55 H GLN 55 15.827 7.746 1.164 426 HA GLN 55 HA GLN 55 16.444 9.919 -0.733 427 1HB GLN 55 2HB GLN 55 13.886 8.436 -0.057 428 2HB GLN 55 1HB GLN 55 14.099 9.521 -1.427 429 1HG GLN 55 2HG GLN 55 15.890 8.037 -2.311 430 2HG GLN 55 1HG GLN 55 15.625 6.927 -0.963 431 1HE2 GLN 55 1HE2 GLN 55 12.915 6.689 -0.753 432 2HE2 GLN 55 2HE2 GLN 55 12.225 6.151 -2.206 433 H ALA 56 H ALA 56 15.659 9.891 2.563 434 HA ALA 56 HA ALA 56 13.624 11.909 2.775 435 1HB ALA 56 3HB ALA 56 15.430 11.980 4.993 436 2HB ALA 56 2HB ALA 56 13.834 11.235 4.913 437 3HB ALA 56 1HB ALA 56 15.263 10.297 4.477 438 HA PRO 57 HA PRO 57 15.834 15.614 2.071 439 1HB PRO 57 2HB PRO 57 14.482 17.341 3.707 440 2HB PRO 57 1HB PRO 57 13.801 16.701 2.196 441 1HG PRO 57 2HG PRO 57 13.312 15.837 5.000 442 2HG PRO 57 1HG PRO 57 12.173 15.998 3.654 443 1HD PRO 57 1HD PRO 57 13.203 13.615 4.473 444 2HD PRO 57 2HD PRO 57 12.686 13.939 2.805 445 H LYS 58 H LYS 58 17.494 16.932 3.004 446 HA LYS 58 HA LYS 58 18.610 15.928 5.560 447 1HB LYS 58 2HB LYS 58 19.932 16.273 3.436 448 2HB LYS 58 1HB LYS 58 19.665 18.007 3.609 449 1HG LYS 58 2HG LYS 58 20.767 17.942 5.834 450 2HG LYS 58 1HG LYS 58 21.072 16.219 5.616 451 1HD LYS 58 2HD LYS 58 22.364 16.751 3.542 452 2HD LYS 58 1HD LYS 58 22.141 18.468 3.886 453 1HE LYS 58 2HE LYS 58 23.311 18.189 6.056 454 2HE LYS 58 1HE LYS 58 23.550 16.468 5.698 455 1HZ LYS 58 2HZ LYS 58 24.700 17.095 3.649 456 2HZ LYS 58 1HZ LYS 58 24.507 18.742 4.028 457 3HZ LYS 58 3HZ LYS 58 25.479 17.757 5.007 458 H1 VAL 1 2H VAL 1 -1.094 -12.308 -14.984 459 H2 VAL 1 1H VAL 1 -1.534 -13.729 -15.803 460 H3 VAL 1 3H VAL 1 -1.578 -12.236 -16.608 461 HA VAL 1 HA VAL 1 -3.464 -11.493 -15.449 462 HB VAL 1 HB VAL 1 -3.654 -14.484 -16.005 463 1HG1 VAL 1 2HG1 VAL 1 -5.806 -12.374 -15.658 464 2HG1 VAL 1 1HG1 VAL 1 -6.095 -13.943 -16.408 465 3HG1 VAL 1 3HG1 VAL 1 -5.596 -13.852 -14.719 466 1HG2 VAL 1 2HG2 VAL 1 -4.020 -11.999 -17.700 467 2HG2 VAL 1 1HG2 VAL 1 -2.958 -13.374 -18.000 468 3HG2 VAL 1 3HG2 VAL 1 -4.702 -13.558 -18.166 469 H ASP 2 H ASP 2 -2.322 -14.567 -13.938 470 HA ASP 2 HA ASP 2 -3.924 -14.265 -11.534 471 1HB ASP 2 2HB ASP 2 -3.040 -16.412 -12.465 472 2HB ASP 2 1HB ASP 2 -1.405 -15.887 -12.068 473 H ASN 3 H ASN 3 -3.535 -12.869 -9.890 474 HA ASN 3 HA ASN 3 -2.481 -11.328 -8.476 475 1HB ASN 3 2HB ASN 3 -0.226 -13.305 -8.983 476 2HB ASN 3 1HB ASN 3 -0.185 -12.074 -7.725 477 1HD2 ASN 3 1HD2 ASN 3 -0.258 -15.092 -7.436 478 2HD2 ASN 3 2HD2 ASN 3 -1.617 -15.408 -6.471 479 H LYS 4 H LYS 4 -2.628 -10.501 -11.145 480 HA LYS 4 HA LYS 4 -0.001 -9.174 -11.726 481 1HB LYS 4 2HB LYS 4 -1.317 -10.633 -13.395 482 2HB LYS 4 1HB LYS 4 -2.494 -9.322 -13.450 483 1HG LYS 4 2HG LYS 4 -0.735 -7.756 -14.184 484 2HG LYS 4 1HG LYS 4 0.460 -9.047 -14.095 485 1HD LYS 4 2HD LYS 4 -0.168 -8.918 -16.394 486 2HD LYS 4 1HD LYS 4 -1.001 -10.330 -15.754 487 1HE LYS 4 2HE LYS 4 -2.788 -9.303 -16.834 488 2HE LYS 4 1HE LYS 4 -2.914 -8.496 -15.261 489 1HZ LYS 4 3HZ LYS 4 -1.358 -7.490 -17.596 490 2HZ LYS 4 2HZ LYS 4 -2.854 -6.879 -17.071 491 3HZ LYS 4 1HZ LYS 4 -1.480 -6.724 -16.085 492 H PHE 5 H PHE 5 -2.014 -8.324 -9.583 493 HA PHE 5 HA PHE 5 -3.016 -5.724 -10.617 494 1HB PHE 5 2HB PHE 5 -3.485 -7.471 -8.198 495 2HB PHE 5 1HB PHE 5 -4.126 -5.846 -8.315 496 HD1 PHE 5 HD1 PHE 5 -5.962 -5.314 -9.766 497 HD2 PHE 5 HD2 PHE 5 -4.217 -9.235 -9.804 498 HE1 PHE 5 HE1 PHE 5 -7.860 -6.143 -11.114 499 HE2 PHE 5 HE2 PHE 5 -6.119 -10.068 -11.153 500 HZ PHE 5 HZ PHE 5 -7.946 -8.522 -11.809 501 H ASN 6 H ASN 6 -0.046 -6.534 -9.564 502 HA ASN 6 HA ASN 6 0.428 -5.048 -7.167 503 1HB ASN 6 2HB ASN 6 2.332 -5.549 -9.472 504 2HB ASN 6 1HB ASN 6 2.778 -5.190 -7.807 505 1HD2 ASN 6 1HD2 ASN 6 3.804 -7.552 -8.873 506 2HD2 ASN 6 2HD2 ASN 6 3.010 -8.892 -8.201 507 H LYS 7 H LYS 7 0.645 -4.102 -10.554 508 HA LYS 7 HA LYS 7 1.505 -1.389 -10.180 509 1HB LYS 7 2HB LYS 7 -0.127 -2.796 -12.313 510 2HB LYS 7 1HB LYS 7 0.477 -1.146 -12.498 511 1HG LYS 7 2HG LYS 7 2.803 -2.010 -12.117 512 2HG LYS 7 1HG LYS 7 2.150 -3.649 -12.099 513 1HD LYS 7 2HD LYS 7 1.224 -3.252 -14.392 514 2HD LYS 7 1HD LYS 7 2.032 -1.685 -14.408 515 1HE LYS 7 2HE LYS 7 3.635 -4.168 -13.800 516 2HE LYS 7 1HE LYS 7 3.260 -3.750 -15.481 517 1HZ LYS 7 2HZ LYS 7 4.123 -1.504 -15.056 518 2HZ LYS 7 1HZ LYS 7 4.553 -1.963 -13.477 519 3HZ LYS 7 3HZ LYS 7 5.314 -2.687 -14.808 520 H GLU 8 H GLU 8 -1.639 -2.926 -10.019 521 HA GLU 8 HA GLU 8 -3.188 -0.490 -9.957 522 1HB GLU 8 2HB GLU 8 -3.587 -3.385 -9.762 523 2HB GLU 8 1HB GLU 8 -4.698 -2.473 -8.734 524 1HG GLU 8 2HG GLU 8 -5.321 -1.068 -10.668 525 2HG GLU 8 1HG GLU 8 -4.232 -2.002 -11.691 526 H LEU 9 H LEU 9 -1.553 -2.382 -7.450 527 HA LEU 9 HA LEU 9 -2.885 -1.007 -5.233 528 1HB LEU 9 2HB LEU 9 -0.138 -2.194 -5.031 529 2HB LEU 9 1HB LEU 9 -1.375 -2.071 -3.834 530 HG LEU 9 HG LEU 9 -1.832 -3.802 -6.216 531 1HD1 LEU 9 1HD1 LEU 9 0.182 -4.119 -4.172 532 2HD1 LEU 9 3HD1 LEU 9 -1.049 -5.368 -3.972 533 3HD1 LEU 9 2HD1 LEU 9 -0.181 -5.225 -5.507 534 1HD2 LEU 9 3HD2 LEU 9 -3.733 -3.130 -4.731 535 2HD2 LEU 9 2HD2 LEU 9 -3.399 -4.872 -4.627 536 3HD2 LEU 9 1HD2 LEU 9 -2.846 -3.795 -3.350 537 H SER 10 H SER 10 -0.153 -0.415 -7.314 538 HA SER 10 HA SER 10 1.288 1.509 -5.760 539 1HB SER 10 2HB SER 10 0.833 1.056 -8.718 540 2HB SER 10 1HB SER 10 2.037 2.135 -8.087 541 HG SER 10 HG SER 10 1.960 -0.615 -8.170 542 H VAL 11 H VAL 11 -1.332 1.804 -8.194 543 HA VAL 11 HA VAL 11 -1.736 4.692 -7.727 544 HB VAL 11 HB VAL 11 -3.400 2.697 -9.308 545 1HG1 VAL 11 3HG1 VAL 11 -3.103 5.694 -9.289 546 2HG1 VAL 11 2HG1 VAL 11 -3.665 4.855 -10.736 547 3HG1 VAL 11 1HG1 VAL 11 -4.575 4.726 -9.230 548 1HG2 VAL 11 2HG2 VAL 11 -0.917 4.234 -10.157 549 2HG2 VAL 11 1HG2 VAL 11 -1.068 2.477 -10.026 550 3HG2 VAL 11 3HG2 VAL 11 -1.977 3.357 -11.260 551 H ALA 12 H ALA 12 -3.768 1.742 -7.329 552 HA ALA 12 HA ALA 12 -5.949 2.970 -5.956 553 1HB ALA 12 2HB ALA 12 -5.815 0.675 -7.080 554 2HB ALA 12 3HB ALA 12 -6.643 0.708 -5.526 555 3HB ALA 12 1HB ALA 12 -4.981 0.106 -5.623 556 H GLY 13 H GLY 13 -3.159 1.240 -4.702 557 1HA GLY 13 1HA GLY 13 -2.195 1.116 -2.612 558 2HA GLY 13 2HA GLY 13 -3.805 1.388 -1.952 559 H ARG 14 H ARG 14 -1.383 3.347 -3.742 560 HA ARG 14 HA ARG 14 -0.817 5.019 -1.538 561 1HB ARG 14 2HB ARG 14 0.061 4.761 -4.126 562 2HB ARG 14 1HB ARG 14 -0.644 6.374 -4.152 563 1HG ARG 14 2HG ARG 14 1.405 5.335 -2.168 564 2HG ARG 14 1HG ARG 14 1.724 6.470 -3.477 565 1HD ARG 14 2HD ARG 14 0.472 8.200 -2.416 566 2HD ARG 14 1HD ARG 14 -0.273 7.051 -1.287 567 HE ARG 14 HE ARG 14 1.827 6.823 -0.142 568 1HH1 ARG 14 1HH1 ARG 14 4.027 6.867 -1.796 569 2HH1 ARG 14 2HH1 ARG 14 4.624 8.492 -1.813 570 1HH2 ARG 14 1HH2 ARG 14 1.665 9.869 -0.588 571 2HH2 ARG 14 2HH2 ARG 14 3.276 10.205 -1.125 572 H GLU 15 H GLU 15 -3.382 5.486 -4.037 573 HA GLU 15 HA GLU 15 -4.171 8.122 -3.102 574 1HB GLU 15 2HB GLU 15 -5.543 5.926 -4.679 575 2HB GLU 15 1HB GLU 15 -6.314 7.479 -4.356 576 1HG GLU 15 2HG GLU 15 -4.345 8.620 -5.407 577 2HG GLU 15 1HG GLU 15 -3.698 7.034 -5.827 578 H ILE 16 H ILE 16 -5.245 4.813 -2.288 579 HA ILE 16 HA ILE 16 -7.305 5.506 -0.392 580 HB ILE 16 HB ILE 16 -5.568 3.058 -0.897 581 1HG1 ILE 16 2HG1 ILE 16 -8.531 3.415 -1.359 582 2HG1 ILE 16 1HG1 ILE 16 -7.347 3.895 -2.568 583 1HG2 ILE 16 1HG2 ILE 16 -7.783 3.470 1.112 584 2HG2 ILE 16 3HG2 ILE 16 -7.435 1.871 0.444 585 3HG2 ILE 16 2HG2 ILE 16 -6.196 2.738 1.361 586 1HD1 ILE 16 1HD1 ILE 16 -6.462 1.397 -2.030 587 2HD1 ILE 16 3HD1 ILE 16 -8.180 1.186 -1.690 588 3HD1 ILE 16 2HD1 ILE 16 -7.657 1.747 -3.280 589 H VAL 17 H VAL 17 -3.802 5.332 -0.262 590 HA VAL 17 HA VAL 17 -3.454 5.326 2.638 591 HB VAL 17 HB VAL 17 -1.705 5.833 0.205 592 1HG1 VAL 17 1HG1 VAL 17 -1.130 6.608 2.959 593 2HG1 VAL 17 3HG1 VAL 17 0.060 5.483 2.303 594 3HG1 VAL 17 2HG1 VAL 17 -0.264 7.000 1.472 595 1HG2 VAL 17 3HG2 VAL 17 -2.346 3.548 1.901 596 2HG2 VAL 17 2HG2 VAL 17 -1.588 3.607 0.290 597 3HG2 VAL 17 1HG2 VAL 17 -0.607 3.817 1.732 598 H THR 18 H THR 18 -3.564 7.806 0.042 599 HA THR 18 HA THR 18 -3.320 9.938 2.140 600 HB THR 18 HB THR 18 -2.061 11.197 0.493 601 HG1 THR 18 HG1 THR 18 -2.796 10.812 -1.463 602 1HG2 THR 18 1HG2 THR 18 -1.080 9.093 1.736 603 2HG2 THR 18 3HG2 THR 18 -1.006 8.428 0.105 604 3HG2 THR 18 2HG2 THR 18 -0.130 9.911 0.493 605 H LEU 19 H LEU 19 -5.989 8.816 0.833 606 HA LEU 19 HA LEU 19 -6.892 10.943 -0.932 607 1HB LEU 19 2HB LEU 19 -9.168 10.113 -0.372 608 2HB LEU 19 1HB LEU 19 -8.058 8.841 -0.851 609 HG LEU 19 HG LEU 19 -7.987 9.293 2.021 610 1HD1 LEU 19 2HD1 LEU 19 -10.589 9.110 0.606 611 2HD1 LEU 19 1HD1 LEU 19 -10.393 8.066 2.009 612 3HD1 LEU 19 3HD1 LEU 19 -10.209 9.814 2.182 613 1HD2 LEU 19 2HD2 LEU 19 -7.450 7.235 0.273 614 2HD2 LEU 19 1HD2 LEU 19 -7.726 7.018 2.002 615 3HD2 LEU 19 3HD2 LEU 19 -9.048 6.772 0.872 616 HA PRO 20 HA PRO 20 -7.299 14.515 1.407 617 1HB PRO 20 2HB PRO 20 -9.803 15.484 0.810 618 2HB PRO 20 1HB PRO 20 -8.400 15.553 -0.277 619 1HG PRO 20 2HG PRO 20 -10.614 13.542 -0.183 620 2HG PRO 20 1HG PRO 20 -9.927 14.389 -1.582 621 1HD PRO 20 1HD PRO 20 -9.198 11.894 -1.055 622 2HD PRO 20 2HD PRO 20 -7.984 13.085 -1.580 623 H ASN 21 H ASN 21 -10.049 12.311 2.188 624 HA ASN 21 HA ASN 21 -10.111 13.695 4.873 625 1HB ASN 21 2HB ASN 21 -12.376 12.728 3.142 626 2HB ASN 21 1HB ASN 21 -12.587 13.306 4.786 627 1HD2 ASN 21 1HD2 ASN 21 -13.398 14.417 1.999 628 2HD2 ASN 21 2HD2 ASN 21 -12.897 16.041 2.063 629 H LEU 22 H LEU 22 -8.795 11.017 4.201 630 HA LEU 22 HA LEU 22 -10.599 9.177 5.726 631 1HB LEU 22 2HB LEU 22 -9.271 8.689 3.510 632 2HB LEU 22 1HB LEU 22 -7.958 8.389 4.623 633 HG LEU 22 HG LEU 22 -9.803 6.937 5.863 634 1HD1 LEU 22 3HD1 LEU 22 -11.443 7.689 3.956 635 2HD1 LEU 22 2HD1 LEU 22 -10.616 6.453 3.009 636 3HD1 LEU 22 1HD1 LEU 22 -11.459 6.008 4.494 637 1HD2 LEU 22 3HD2 LEU 22 -7.859 6.395 3.689 638 2HD2 LEU 22 2HD2 LEU 22 -7.983 5.695 5.311 639 3HD2 LEU 22 1HD2 LEU 22 -9.025 5.104 4.016 640 H ASN 23 H ASN 23 -9.795 8.020 7.489 641 HA ASN 23 HA ASN 23 -7.617 9.411 9.017 642 1HB ASN 23 2HB ASN 23 -8.671 8.470 11.016 643 2HB ASN 23 1HB ASN 23 -9.868 9.320 10.049 644 1HD2 ASN 23 1HD2 ASN 23 -11.008 7.595 11.772 645 2HD2 ASN 23 2HD2 ASN 23 -11.493 6.154 11.020 646 H ASP 24 H ASP 24 -6.078 8.044 10.230 647 HA ASP 24 HA ASP 24 -4.749 6.185 8.636 648 1HB ASP 24 2HB ASP 24 -3.354 5.745 10.589 649 2HB ASP 24 1HB ASP 24 -3.731 7.456 10.449 650 HA PRO 25 HA PRO 25 -6.577 2.455 11.083 651 1HB PRO 25 2HB PRO 25 -9.207 2.632 11.836 652 2HB PRO 25 1HB PRO 25 -7.849 3.021 12.913 653 1HG PRO 25 2HG PRO 25 -9.590 4.848 11.330 654 2HG PRO 25 1HG PRO 25 -8.990 5.019 12.987 655 1HD PRO 25 1HD PRO 25 -7.886 6.331 10.915 656 2HD PRO 25 2HD PRO 25 -6.943 5.789 12.311 657 H GLN 26 H GLN 26 -8.948 4.397 9.147 658 HA GLN 26 HA GLN 26 -10.101 2.067 7.873 659 1HB GLN 26 2HB GLN 26 -10.144 5.033 7.243 660 2HB GLN 26 1HB GLN 26 -11.076 3.838 6.334 661 1HG GLN 26 2HG GLN 26 -12.061 3.052 8.528 662 2HG GLN 26 1HG GLN 26 -11.277 4.421 9.309 663 1HE2 GLN 26 1HE2 GLN 26 -11.929 6.659 8.360 664 2HE2 GLN 26 2HE2 GLN 26 -13.526 6.823 7.821 665 H LYS 27 H LYS 27 -7.548 4.396 6.777 666 HA LYS 27 HA LYS 27 -7.169 3.198 4.201 667 1HB LYS 27 2HB LYS 27 -4.770 4.110 4.472 668 2HB LYS 27 1HB LYS 27 -6.105 5.261 4.430 669 1HG LYS 27 2HG LYS 27 -5.977 5.138 7.031 670 2HG LYS 27 1HG LYS 27 -4.405 4.400 6.765 671 1HD LYS 27 2HD LYS 27 -3.967 6.735 6.972 672 2HD LYS 27 1HD LYS 27 -3.891 6.400 5.247 673 1HE LYS 27 2HE LYS 27 -6.342 7.108 5.109 674 2HE LYS 27 1HE LYS 27 -6.159 7.716 6.761 675 1HZ LYS 27 1HZ LYS 27 -4.432 8.457 4.456 676 2HZ LYS 27 3HZ LYS 27 -5.646 9.433 5.126 677 3HZ LYS 27 2HZ LYS 27 -4.274 9.039 6.046 678 H LYS 28 H LYS 28 -5.762 2.378 7.372 679 HA LYS 28 HA LYS 28 -3.832 0.468 6.468 680 1HB LYS 28 2HB LYS 28 -5.474 0.887 8.994 681 2HB LYS 28 1HB LYS 28 -4.528 -0.593 8.840 682 1HG LYS 28 2HG LYS 28 -2.942 1.625 8.032 683 2HG LYS 28 1HG LYS 28 -3.614 1.981 9.607 684 1HD LYS 28 2HD LYS 28 -1.574 0.843 10.044 685 2HD LYS 28 1HD LYS 28 -2.825 -0.383 10.264 686 1HE LYS 28 2HE LYS 28 -2.289 -1.473 8.271 687 2HE LYS 28 1HE LYS 28 -1.565 -0.023 7.546 688 1HZ LYS 28 1HZ LYS 28 0.187 -0.146 9.272 689 2HZ LYS 28 3HZ LYS 28 -0.471 -1.610 9.825 690 3HZ LYS 28 2HZ LYS 28 0.181 -1.510 8.261 691 H ALA 29 H ALA 29 -7.196 -0.143 7.710 692 HA ALA 29 HA ALA 29 -7.370 -2.901 6.948 693 1HB ALA 29 3HB ALA 29 -9.819 -2.483 7.173 694 2HB ALA 29 1HB ALA 29 -9.506 -0.746 7.177 695 3HB ALA 29 2HB ALA 29 -8.909 -1.754 8.496 696 H PHE 30 H PHE 30 -7.943 0.081 5.127 697 HA PHE 30 HA PHE 30 -9.221 -1.006 2.794 698 1HB PHE 30 2HB PHE 30 -8.189 1.478 3.804 699 2HB PHE 30 1HB PHE 30 -7.540 1.241 2.199 700 HD1 PHE 30 HD1 PHE 30 -10.284 2.427 4.048 701 HD2 PHE 30 HD2 PHE 30 -9.257 0.423 0.397 702 HE1 PHE 30 HE1 PHE 30 -12.443 3.119 3.063 703 HE2 PHE 30 HE2 PHE 30 -11.426 1.106 -0.580 704 HZ PHE 30 HZ PHE 30 -13.011 2.459 0.758 705 H ILE 31 H ILE 31 -5.816 -0.082 3.355 706 HA ILE 31 HA ILE 31 -4.837 -1.072 0.844 707 HB ILE 31 HB ILE 31 -3.714 -0.313 3.531 708 1HG1 ILE 31 2HG1 ILE 31 -3.978 0.839 0.808 709 2HG1 ILE 31 1HG1 ILE 31 -3.982 1.643 2.382 710 1HG2 ILE 31 1HG2 ILE 31 -2.409 -2.311 2.296 711 2HG2 ILE 31 3HG2 ILE 31 -1.770 -0.962 1.341 712 3HG2 ILE 31 2HG2 ILE 31 -1.558 -1.000 3.094 713 1HD1 ILE 31 2HD1 ILE 31 -1.438 0.456 1.387 714 2HD1 ILE 31 1HD1 ILE 31 -1.997 1.955 0.695 715 3HD1 ILE 31 3HD1 ILE 31 -1.703 1.849 2.435 716 H PHE 32 H PHE 32 -5.074 -2.492 4.112 717 HA PHE 32 HA PHE 32 -3.727 -4.935 3.498 718 1HB PHE 32 2HB PHE 32 -5.575 -3.922 5.649 719 2HB PHE 32 1HB PHE 32 -5.169 -5.639 5.611 720 HD1 PHE 32 HD1 PHE 32 -3.320 -2.251 5.256 721 HD2 PHE 32 HD2 PHE 32 -3.216 -6.358 6.830 722 HE1 PHE 32 HE1 PHE 32 -1.176 -1.850 6.311 723 HE2 PHE 32 HE2 PHE 32 -1.035 -5.861 7.788 724 HZ PHE 32 HZ PHE 32 -0.031 -3.679 7.508 725 H SER 33 H SER 33 -7.132 -3.876 2.949 726 HA SER 33 HA SER 33 -7.945 -6.596 2.084 727 1HB SER 33 2HB SER 33 -10.066 -5.487 1.549 728 2HB SER 33 1HB SER 33 -9.522 -4.955 3.130 729 HG SER 33 HG SER 33 -9.715 -3.039 2.317 730 H LEU 34 H LEU 34 -6.688 -3.603 0.668 731 HA LEU 34 HA LEU 34 -7.107 -4.160 -2.141 732 1HB LEU 34 2HB LEU 34 -6.660 -1.935 -1.335 733 2HB LEU 34 1HB LEU 34 -5.205 -2.437 -0.510 734 HG LEU 34 HG LEU 34 -4.312 -2.980 -2.843 735 1HD1 LEU 34 3HD1 LEU 34 -6.541 -2.885 -3.975 736 2HD1 LEU 34 2HD1 LEU 34 -6.602 -1.149 -3.640 737 3HD1 LEU 34 1HD1 LEU 34 -5.356 -1.806 -4.707 738 1HD2 LEU 34 2HD2 LEU 34 -3.812 -0.921 -1.368 739 2HD2 LEU 34 1HD2 LEU 34 -3.492 -0.760 -3.097 740 3HD2 LEU 34 3HD2 LEU 34 -4.957 -0.066 -2.405 741 H TRP 35 H TRP 35 -4.440 -4.832 0.123 742 HA TRP 35 HA TRP 35 -2.613 -6.013 -1.773 743 1HB TRP 35 2HB TRP 35 -2.096 -5.097 0.497 744 2HB TRP 35 1HB TRP 35 -2.898 -6.499 1.201 745 HD1 TRP 35 HD1 TRP 35 -1.452 -8.603 1.488 746 HE1 TRP 35 HE1 TRP 35 0.799 -9.395 0.578 747 HE3 TRP 35 HE3 TRP 35 -0.459 -4.827 -1.768 748 HZ2 TRP 35 HZ2 TRP 35 2.812 -8.505 -1.264 749 HZ3 TRP 35 HZ3 TRP 35 1.625 -4.832 -3.090 750 HH2 TRP 35 HH2 TRP 35 3.242 -6.652 -2.844 751 H ASP 36 H ASP 36 -5.012 -7.421 0.507 752 HA ASP 36 HA ASP 36 -4.460 -10.184 -0.163 753 1HB ASP 36 2HB ASP 36 -5.450 -9.130 1.978 754 2HB ASP 36 1HB ASP 36 -6.973 -9.062 1.096 755 H ASP 37 H ASP 37 -7.007 -7.848 -1.134 756 HA ASP 37 HA ASP 37 -7.731 -9.729 -3.321 757 1HB ASP 37 2HB ASP 37 -9.701 -7.956 -1.833 758 2HB ASP 37 1HB ASP 37 -10.066 -9.284 -2.927 759 HA PRO 38 HA PRO 38 -6.668 -5.467 -4.934 760 1HB PRO 38 2HB PRO 38 -5.044 -6.300 -6.927 761 2HB PRO 38 1HB PRO 38 -4.481 -5.946 -5.291 762 1HG PRO 38 2HG PRO 38 -5.150 -8.595 -6.513 763 2HG PRO 38 1HG PRO 38 -3.756 -8.148 -5.519 764 1HD PRO 38 1HD PRO 38 -5.842 -9.448 -4.466 765 2HD PRO 38 2HD PRO 38 -4.959 -8.198 -3.552 766 H SER 39 H SER 39 -8.235 -8.311 -6.071 767 HA SER 39 HA SER 39 -8.826 -7.631 -8.811 768 1HB SER 39 2HB SER 39 -9.449 -9.647 -7.032 769 2HB SER 39 1HB SER 39 -10.988 -8.806 -7.147 770 HG SER 39 HG SER 39 -11.100 -9.266 -9.258 771 H GLN 40 H GLN 40 -10.011 -6.561 -5.674 772 HA GLN 40 HA GLN 40 -12.142 -4.799 -6.757 773 1HB GLN 40 2HB GLN 40 -11.209 -4.884 -3.892 774 2HB GLN 40 1HB GLN 40 -12.838 -4.653 -4.509 775 1HG GLN 40 2HG GLN 40 -12.809 -7.077 -5.220 776 2HG GLN 40 1HG GLN 40 -11.261 -7.225 -4.390 777 1HE2 GLN 40 1HE2 GLN 40 -14.570 -7.618 -3.907 778 2HE2 GLN 40 2HE2 GLN 40 -14.583 -7.524 -2.214 779 H SER 41 H SER 41 -8.838 -4.436 -6.738 780 HA SER 41 HA SER 41 -8.126 -2.233 -5.177 781 1HB SER 41 2HB SER 41 -7.281 -3.078 -7.915 782 2HB SER 41 1HB SER 41 -6.525 -1.748 -7.055 783 HG SER 41 HG SER 41 -5.508 -3.831 -6.762 784 H ALA 42 H ALA 42 -9.624 -2.136 -8.454 785 HA ALA 42 HA ALA 42 -9.602 0.732 -8.757 786 1HB ALA 42 2HB ALA 42 -11.496 -1.404 -9.824 787 2HB ALA 42 1HB ALA 42 -11.362 0.235 -10.463 788 3HB ALA 42 3HB ALA 42 -10.001 -0.878 -10.595 789 H ASN 43 H ASN 43 -12.044 -1.546 -7.472 790 HA ASN 43 HA ASN 43 -14.004 0.391 -6.703 791 1HB ASN 43 2HB ASN 43 -14.314 -2.088 -7.035 792 2HB ASN 43 1HB ASN 43 -13.425 -2.350 -5.534 793 1HD2 ASN 43 1HD2 ASN 43 -14.537 -1.980 -3.537 794 2HD2 ASN 43 2HD2 ASN 43 -16.169 -1.522 -3.461 795 H LEU 44 H LEU 44 -11.128 -0.953 -5.071 796 HA LEU 44 HA LEU 44 -11.633 -0.044 -2.401 797 1HB LEU 44 2HB LEU 44 -9.342 -0.954 -4.076 798 2HB LEU 44 1HB LEU 44 -8.953 -0.144 -2.566 799 HG LEU 44 HG LEU 44 -11.074 -2.205 -2.420 800 1HD1 LEU 44 3HD1 LEU 44 -8.454 -2.753 -3.590 801 2HD1 LEU 44 2HD1 LEU 44 -8.703 -3.648 -2.083 802 3HD1 LEU 44 1HD1 LEU 44 -9.848 -3.831 -3.407 803 1HD2 LEU 44 3HD2 LEU 44 -8.730 -1.214 -0.765 804 2HD2 LEU 44 2HD2 LEU 44 -10.463 -1.113 -0.406 805 3HD2 LEU 44 1HD2 LEU 44 -9.632 -2.675 -0.323 806 H LEU 45 H LEU 45 -9.653 1.338 -4.954 807 HA LEU 45 HA LEU 45 -8.843 3.753 -3.736 808 1HB LEU 45 2HB LEU 45 -7.879 2.952 -5.802 809 2HB LEU 45 1HB LEU 45 -9.447 2.947 -6.600 810 HG LEU 45 HG LEU 45 -9.524 5.313 -6.711 811 1HD1 LEU 45 1HD1 LEU 45 -7.499 5.143 -4.516 812 2HD1 LEU 45 3HD1 LEU 45 -7.440 6.540 -5.594 813 3HD1 LEU 45 2HD1 LEU 45 -8.906 6.203 -4.679 814 1HD2 LEU 45 1HD2 LEU 45 -7.858 4.143 -8.223 815 2HD2 LEU 45 3HD2 LEU 45 -7.546 5.858 -7.961 816 3HD2 LEU 45 2HD2 LEU 45 -6.596 4.648 -7.099 817 H ALA 46 H ALA 46 -11.726 3.048 -5.721 818 HA ALA 46 HA ALA 46 -12.921 5.666 -5.553 819 1HB ALA 46 2HB ALA 46 -13.802 2.843 -6.129 820 2HB ALA 46 3HB ALA 46 -13.683 4.203 -7.248 821 3HB ALA 46 1HB ALA 46 -14.996 4.141 -6.071 822 H GLU 47 H GLU 47 -13.333 2.651 -3.672 823 HA GLU 47 HA GLU 47 -15.344 3.454 -1.845 824 1HB GLU 47 2HB GLU 47 -14.270 1.144 -2.343 825 2HB GLU 47 1HB GLU 47 -12.993 1.617 -1.220 826 1HG GLU 47 2HG GLU 47 -14.754 1.992 0.527 827 2HG GLU 47 1HG GLU 47 -15.965 1.400 -0.608 828 H ALA 48 H ALA 48 -11.839 3.948 -1.860 829 HA ALA 48 HA ALA 48 -11.528 4.960 0.828 830 1HB ALA 48 3HB ALA 48 -9.436 4.520 0.048 831 2HB ALA 48 1HB ALA 48 -9.514 6.065 -0.803 832 3HB ALA 48 2HB ALA 48 -9.973 4.561 -1.632 833 H LYS 49 H LYS 49 -11.641 6.660 -2.345 834 HA LYS 49 HA LYS 49 -11.753 9.333 -1.317 835 1HB LYS 49 2HB LYS 49 -12.721 8.031 -3.883 836 2HB LYS 49 1HB LYS 49 -12.696 9.780 -3.642 837 1HG LYS 49 2HG LYS 49 -10.240 9.620 -3.130 838 2HG LYS 49 1HG LYS 49 -10.303 7.911 -3.553 839 1HD LYS 49 2HD LYS 49 -11.336 9.957 -5.500 840 2HD LYS 49 1HD LYS 49 -9.602 9.673 -5.373 841 1HE LYS 49 2HE LYS 49 -10.573 7.090 -5.486 842 2HE LYS 49 1HE LYS 49 -11.691 7.954 -6.556 843 1HZ LYS 49 1HZ LYS 49 -9.789 8.950 -7.685 844 2HZ LYS 49 3HZ LYS 49 -8.718 8.110 -6.672 845 3HZ LYS 49 2HZ LYS 49 -9.705 7.257 -7.759 846 H LYS 50 H LYS 50 -14.373 7.070 -2.253 847 HA LYS 50 HA LYS 50 -16.583 8.826 -1.687 848 1HB LYS 50 2HB LYS 50 -16.257 5.816 -1.786 849 2HB LYS 50 1HB LYS 50 -17.823 6.598 -1.574 850 1HG LYS 50 2HG LYS 50 -17.481 7.850 -3.686 851 2HG LYS 50 1HG LYS 50 -15.932 7.037 -3.909 852 1HD LYS 50 2HD LYS 50 -17.128 4.840 -3.888 853 2HD LYS 50 1HD LYS 50 -18.658 5.710 -3.805 854 1HE LYS 50 2HE LYS 50 -16.765 6.504 -5.987 855 2HE LYS 50 1HE LYS 50 -17.614 4.957 -6.161 856 1HZ LYS 50 3HZ LYS 50 -18.915 7.561 -5.525 857 2HZ LYS 50 2HZ LYS 50 -18.928 6.808 -7.046 858 3HZ LYS 50 1HZ LYS 50 -19.709 6.073 -5.729 859 H LEU 51 H LEU 51 -14.761 6.522 0.364 860 HA LEU 51 HA LEU 51 -16.457 6.728 2.700 861 1HB LEU 51 2HB LEU 51 -14.765 4.935 2.206 862 2HB LEU 51 1HB LEU 51 -13.478 6.104 2.498 863 HG LEU 51 HG LEU 51 -15.633 5.537 4.544 864 1HD1 LEU 51 1HD1 LEU 51 -14.182 3.502 3.745 865 2HD1 LEU 51 3HD1 LEU 51 -12.925 4.274 4.710 866 3HD1 LEU 51 2HD1 LEU 51 -14.440 3.777 5.466 867 1HD2 LEU 51 3HD2 LEU 51 -13.292 7.249 4.383 868 2HD2 LEU 51 2HD2 LEU 51 -14.589 7.246 5.575 869 3HD2 LEU 51 1HD2 LEU 51 -13.202 6.172 5.772 870 H ASN 52 H ASN 52 -13.526 8.528 1.650 871 HA ASN 52 HA ASN 52 -13.045 10.126 3.935 872 1HB ASN 52 2HB ASN 52 -11.556 11.077 2.500 873 2HB ASN 52 1HB ASN 52 -12.092 9.860 1.376 874 1HD2 ASN 52 1HD2 ASN 52 -11.661 11.149 -0.512 875 2HD2 ASN 52 2HD2 ASN 52 -12.591 12.519 -0.893 876 H ASP 53 H ASP 53 -15.557 10.431 1.449 877 HA ASP 53 HA ASP 53 -16.492 13.049 2.018 878 1HB ASP 53 2HB ASP 53 -17.982 10.586 1.044 879 2HB ASP 53 1HB ASP 53 -18.552 12.240 0.875 880 H ALA 54 H ALA 54 -17.174 9.909 3.568 881 HA ALA 54 HA ALA 54 -19.506 10.662 5.080 882 1HB ALA 54 1HB ALA 54 -18.242 8.395 4.552 883 2HB ALA 54 3HB ALA 54 -17.428 8.737 6.081 884 3HB ALA 54 2HB ALA 54 -19.184 8.558 6.038 885 H GLN 55 H GLN 55 -16.029 11.055 5.688 886 HA GLN 55 HA GLN 55 -16.451 12.155 8.404 887 1HB GLN 55 2HB GLN 55 -14.134 11.414 6.617 888 2HB GLN 55 1HB GLN 55 -13.856 12.290 8.108 889 1HG GLN 55 2HG GLN 55 -14.781 10.536 9.442 890 2HG GLN 55 1HG GLN 55 -15.450 9.724 8.024 891 1HE2 GLN 55 1HE2 GLN 55 -13.366 9.617 6.256 892 2HE2 GLN 55 2HE2 GLN 55 -12.051 8.769 6.918 893 H ALA 56 H ALA 56 -15.620 13.260 5.108 894 HA ALA 56 HA ALA 56 -16.213 16.067 5.816 895 1HB ALA 56 1HB ALA 56 -14.020 16.207 6.513 896 2HB ALA 56 2HB ALA 56 -13.766 16.465 4.785 897 3HB ALA 56 3HB ALA 56 -13.516 14.865 5.483 898 HA PRO 57 HA PRO 57 -17.223 16.044 1.461 899 1HB PRO 57 2HB PRO 57 -17.140 18.729 0.921 900 2HB PRO 57 1HB PRO 57 -18.461 17.961 1.824 901 1HG PRO 57 2HG PRO 57 -16.128 19.505 2.831 902 2HG PRO 57 1HG PRO 57 -17.809 19.506 3.390 903 1HD PRO 57 1HD PRO 57 -15.802 18.171 4.662 904 2HD PRO 57 2HD PRO 57 -17.506 17.664 4.718 905 H LYS 58 H LYS 58 -16.145 16.196 -0.599 906 HA LYS 58 HA LYS 58 -13.292 16.017 -0.643 907 1HB LYS 58 2HB LYS 58 -15.296 16.633 -2.845 908 2HB LYS 58 1HB LYS 58 -13.612 16.204 -3.136 909 1HG LYS 58 2HG LYS 58 -14.033 14.072 -1.830 910 2HG LYS 58 1HG LYS 58 -15.745 14.492 -1.843 911 1HD LYS 58 2HD LYS 58 -15.612 14.624 -4.361 912 2HD LYS 58 1HD LYS 58 -13.982 13.965 -4.250 913 1HE LYS 58 2HE LYS 58 -16.433 12.573 -3.100 914 2HE LYS 58 1HE LYS 58 -15.749 12.204 -4.690 915 1HZ LYS 58 1HZ LYS 58 -13.548 11.945 -3.460 916 2HZ LYS 58 3HZ LYS 58 -14.466 11.899 -2.032 917 3HZ LYS 58 2HZ LYS 58 -14.701 10.721 -3.231 No H/Q in entry = 917 Start of MODEL 35 1 H1 VAL 1 3H VAL 1 -3.575 -19.408 9.690 2 H2 VAL 1 2H VAL 1 -4.853 -18.668 8.859 3 H3 VAL 1 1H VAL 1 -4.525 -20.316 8.623 4 HA VAL 1 HA VAL 1 -2.499 -19.887 7.495 5 HB VAL 1 HB VAL 1 -3.333 -18.555 5.572 6 1HG1 VAL 1 1HG1 VAL 1 -4.111 -20.928 6.076 7 2HG1 VAL 1 3HG1 VAL 1 -5.602 -20.208 6.689 8 3HG1 VAL 1 2HG1 VAL 1 -5.146 -19.986 5.001 9 1HG2 VAL 1 2HG2 VAL 1 -4.487 -16.778 6.957 10 2HG2 VAL 1 1HG2 VAL 1 -5.454 -17.403 5.626 11 3HG2 VAL 1 3HG2 VAL 1 -5.773 -17.942 7.274 12 H ASP 2 H ASP 2 -3.754 -16.916 9.043 13 HA ASP 2 HA ASP 2 -1.450 -15.311 8.213 14 1HB ASP 2 2HB ASP 2 -3.974 -14.965 9.760 15 2HB ASP 2 1HB ASP 2 -2.664 -13.845 10.133 16 H ASN 3 H ASN 3 0.346 -16.507 9.049 17 HA ASN 3 HA ASN 3 0.574 -16.858 11.998 18 1HB ASN 3 2HB ASN 3 2.359 -17.614 9.648 19 2HB ASN 3 1HB ASN 3 2.684 -18.044 11.326 20 1HD2 ASN 3 1HD2 ASN 3 0.757 -19.300 12.430 21 2HD2 ASN 3 2HD2 ASN 3 -0.049 -20.433 11.457 22 H LYS 4 H LYS 4 2.694 -15.529 9.408 23 HA LYS 4 HA LYS 4 3.104 -13.053 10.946 24 1HB LYS 4 2HB LYS 4 5.638 -13.401 10.876 25 2HB LYS 4 1HB LYS 4 4.758 -14.394 12.029 26 1HG LYS 4 2HG LYS 4 4.770 -16.221 10.211 27 2HG LYS 4 1HG LYS 4 5.959 -15.216 9.379 28 1HD LYS 4 2HD LYS 4 7.434 -15.279 11.322 29 2HD LYS 4 1HD LYS 4 6.245 -16.225 12.221 30 1HE LYS 4 2HE LYS 4 6.693 -18.167 11.040 31 2HE LYS 4 1HE LYS 4 7.131 -17.291 9.561 32 1HZ LYS 4 2HZ LYS 4 9.139 -16.498 10.665 33 2HZ LYS 4 1HZ LYS 4 8.728 -17.358 12.075 34 3HZ LYS 4 3HZ LYS 4 9.099 -18.196 10.649 35 H PHE 5 H PHE 5 4.527 -14.865 8.153 36 HA PHE 5 HA PHE 5 5.075 -12.508 6.619 37 1HB PHE 5 2HB PHE 5 4.834 -15.445 5.945 38 2HB PHE 5 1HB PHE 5 5.337 -14.236 4.765 39 HD1 PHE 5 HD1 PHE 5 7.382 -12.822 5.235 40 HD2 PHE 5 HD2 PHE 5 6.339 -16.237 7.616 41 HE1 PHE 5 HE1 PHE 5 9.688 -12.889 6.154 42 HE2 PHE 5 HE2 PHE 5 8.640 -16.308 8.526 43 HZ PHE 5 HZ PHE 5 10.305 -14.634 7.806 44 H ASN 6 H ASN 6 2.173 -14.490 6.962 45 HA ASN 6 HA ASN 6 0.796 -13.944 4.553 46 1HB ASN 6 2HB ASN 6 0.249 -15.376 6.702 47 2HB ASN 6 1HB ASN 6 -0.595 -13.918 7.220 48 1HD2 ASN 6 1HD2 ASN 6 -2.077 -12.976 5.258 49 2HD2 ASN 6 2HD2 ASN 6 -2.992 -14.156 4.455 50 H LYS 7 H LYS 7 0.724 -11.973 7.604 51 HA LYS 7 HA LYS 7 -0.629 -9.788 6.111 52 1HB LYS 7 2HB LYS 7 -1.497 -10.413 8.297 53 2HB LYS 7 1HB LYS 7 0.085 -10.100 9.040 54 1HG LYS 7 2HG LYS 7 -1.019 -7.881 7.448 55 2HG LYS 7 1HG LYS 7 -1.992 -8.300 8.852 56 1HD LYS 7 2HD LYS 7 0.991 -7.799 8.986 57 2HD LYS 7 1HD LYS 7 -0.215 -6.541 9.247 58 1HE LYS 7 2HE LYS 7 -0.965 -7.488 11.259 59 2HE LYS 7 1HE LYS 7 -0.379 -9.108 10.828 60 1HZ LYS 7 3HZ LYS 7 1.351 -6.737 11.350 61 2HZ LYS 7 2HZ LYS 7 1.098 -8.023 12.431 62 3HZ LYS 7 1HZ LYS 7 1.895 -8.297 10.956 63 H GLU 8 H GLU 8 2.648 -10.630 6.891 64 HA GLU 8 HA GLU 8 3.703 -7.984 7.332 65 1HB GLU 8 2HB GLU 8 4.793 -10.643 6.435 66 2HB GLU 8 1HB GLU 8 5.813 -9.209 6.308 67 1HG GLU 8 2HG GLU 8 4.407 -10.096 8.845 68 2HG GLU 8 1HG GLU 8 6.111 -10.409 8.469 69 H GLN 9 H GLN 9 2.869 -9.833 4.457 70 HA GLN 9 HA GLN 9 4.076 -8.164 2.501 71 1HB GLN 9 2HB GLN 9 1.642 -9.965 2.449 72 2HB GLN 9 1HB GLN 9 2.393 -9.279 1.012 73 1HG GLN 9 2HG GLN 9 4.483 -10.444 1.503 74 2HG GLN 9 1HG GLN 9 3.796 -11.091 2.994 75 1HE2 GLN 9 1HE2 GLN 9 2.193 -12.812 2.814 76 2HE2 GLN 9 2HE2 GLN 9 1.908 -13.610 1.345 77 H GLN 10 H GLN 10 0.832 -8.088 4.077 78 HA GLN 10 HA GLN 10 0.034 -5.668 2.588 79 1HB GLN 10 2HB GLN 10 -1.832 -5.714 4.440 80 2HB GLN 10 1HB GLN 10 -1.916 -6.711 3.037 81 1HG GLN 10 2HG GLN 10 -0.615 -7.817 5.473 82 2HG GLN 10 1HG GLN 10 -2.360 -7.672 5.434 83 1HE2 GLN 10 1HE2 GLN 10 -3.355 -9.553 4.751 84 2HE2 GLN 10 2HE2 GLN 10 -2.710 -10.641 3.619 85 H ASN 11 H ASN 11 1.410 -6.355 5.789 86 HA ASN 11 HA ASN 11 1.067 -3.625 6.750 87 1HB ASN 11 2HB ASN 11 1.715 -5.909 7.975 88 2HB ASN 11 1HB ASN 11 3.357 -5.390 7.588 89 1HD2 ASN 11 1HD2 ASN 11 4.250 -3.622 8.784 90 2HD2 ASN 11 2HD2 ASN 11 3.409 -2.838 10.033 91 H ALA 12 H ALA 12 3.698 -5.419 5.114 92 HA ALA 12 HA ALA 12 5.567 -3.228 4.923 93 1HB ALA 12 3HB ALA 12 5.107 -5.845 3.473 94 2HB ALA 12 1HB ALA 12 6.418 -5.420 4.584 95 3HB ALA 12 2HB ALA 12 6.377 -4.727 2.959 96 H PHE 13 H PHE 13 3.025 -4.518 2.769 97 HA PHE 13 HA PHE 13 3.347 -2.773 0.514 98 1HB PHE 13 2HB PHE 13 1.911 -4.737 0.433 99 2HB PHE 13 1HB PHE 13 0.984 -4.184 1.820 100 HD1 PHE 13 HD1 PHE 13 2.074 -2.642 -1.401 101 HD2 PHE 13 HD2 PHE 13 -1.162 -3.504 1.257 102 HE1 PHE 13 HE1 PHE 13 0.505 -1.578 -2.973 103 HE2 PHE 13 HE2 PHE 13 -2.736 -2.429 -0.307 104 HZ PHE 13 HZ PHE 13 -1.906 -1.471 -2.415 105 H TYR 14 H TYR 14 1.175 -2.599 3.293 106 HA TYR 14 HA TYR 14 -0.027 -0.087 2.997 107 1HB TYR 14 2HB TYR 14 -0.556 -1.885 4.576 108 2HB TYR 14 1HB TYR 14 0.942 -1.588 5.444 109 HD1 TYR 14 HD1 TYR 14 1.083 0.077 7.094 110 HD2 TYR 14 HD2 TYR 14 -2.308 -0.056 4.457 111 HE1 TYR 14 HE1 TYR 14 -0.088 1.729 8.517 112 HE2 TYR 14 HE2 TYR 14 -3.472 1.563 5.855 113 HH TYR 14 HH TYR 14 -2.054 3.528 7.995 114 H GLU 15 H GLU 15 2.923 -0.869 4.934 115 HA GLU 15 HA GLU 15 3.625 1.827 5.564 116 1HB GLU 15 2HB GLU 15 5.234 -0.727 5.307 117 2HB GLU 15 1HB GLU 15 5.895 0.772 5.962 118 1HG GLU 15 2HG GLU 15 3.491 -0.731 7.073 119 2HG GLU 15 1HG GLU 15 5.103 -0.721 7.775 120 H ILE 16 H ILE 16 4.693 -0.259 2.782 121 HA ILE 16 HA ILE 16 6.503 1.576 1.543 122 HB ILE 16 HB ILE 16 4.735 -0.695 0.693 123 1HG1 ILE 16 2HG1 ILE 16 7.475 -0.445 -0.340 124 2HG1 ILE 16 1HG1 ILE 16 7.381 -0.346 1.413 125 1HG2 ILE 16 2HG2 ILE 16 5.922 1.242 -1.304 126 2HG2 ILE 16 1HG2 ILE 16 5.482 -0.421 -1.712 127 3HG2 ILE 16 3HG2 ILE 16 4.242 0.717 -1.178 128 1HD1 ILE 16 3HD1 ILE 16 5.740 -2.470 0.168 129 2HD1 ILE 16 2HD1 ILE 16 7.505 -2.685 0.059 130 3HD1 ILE 16 1HD1 ILE 16 6.732 -2.505 1.634 131 H LEU 17 H LEU 17 2.975 1.291 1.221 132 HA LEU 17 HA LEU 17 2.564 3.556 -0.556 133 1HB LEU 17 2HB LEU 17 0.778 2.135 1.449 134 2HB LEU 17 1HB LEU 17 0.200 3.265 0.235 135 HG LEU 17 HG LEU 17 1.911 1.111 -0.821 136 1HD1 LEU 17 1HD1 LEU 17 -0.043 0.372 1.030 137 2HD1 LEU 17 3HD1 LEU 17 -0.823 0.223 -0.555 138 3HD1 LEU 17 2HD1 LEU 17 0.672 -0.645 -0.223 139 1HD2 LEU 17 3HD2 LEU 17 0.353 2.902 -1.980 140 2HD2 LEU 17 2HD2 LEU 17 0.515 1.248 -2.626 141 3HD2 LEU 17 1HD2 LEU 17 -0.885 1.669 -1.609 142 H HIS 18 H HIS 18 2.340 3.189 3.012 143 HA HIS 18 HA HIS 18 1.479 5.899 3.524 144 1HB HIS 18 2HB HIS 18 2.569 3.613 5.172 145 2HB HIS 18 1HB HIS 18 2.273 5.183 5.905 146 HD1 HIS 18 HD1 HIS 18 -0.244 6.077 5.868 147 HD2 HIS 18 HD2 HIS 18 0.185 2.102 4.703 148 HE1 HIS 18 HE1 HIS 18 -2.550 4.962 5.784 149 H LEU 19 H LEU 19 4.700 4.515 3.010 150 HA LEU 19 HA LEU 19 6.315 6.333 4.492 151 1HB LEU 19 2HB LEU 19 6.696 4.731 1.958 152 2HB LEU 19 1HB LEU 19 7.983 5.778 2.548 153 HG LEU 19 HG LEU 19 6.675 3.589 4.191 154 1HD1 LEU 19 3HD1 LEU 19 9.152 3.638 2.480 155 2HD1 LEU 19 2HD1 LEU 19 9.056 2.573 3.885 156 3HD1 LEU 19 1HD1 LEU 19 7.893 2.406 2.569 157 1HD2 LEU 19 2HD2 LEU 19 8.102 5.797 5.058 158 2HD2 LEU 19 1HD2 LEU 19 7.904 4.286 5.947 159 3HD2 LEU 19 3HD2 LEU 19 9.336 4.542 4.952 160 HA PRO 20 HA PRO 20 5.154 10.077 2.302 161 1HB PRO 20 2HB PRO 20 6.843 11.754 3.665 162 2HB PRO 20 1HB PRO 20 5.290 11.179 4.308 163 1HG PRO 20 2HG PRO 20 8.046 10.147 4.824 164 2HG PRO 20 1HG PRO 20 6.725 10.449 5.968 165 1HD PRO 20 1HD PRO 20 7.285 7.979 5.099 166 2HD PRO 20 2HD PRO 20 5.613 8.501 5.407 167 H ASN 21 H ASN 21 8.432 8.705 2.346 168 HA ASN 21 HA ASN 21 9.222 10.654 0.213 169 1HB ASN 21 2HB ASN 21 10.802 8.931 2.130 170 2HB ASN 21 1HB ASN 21 11.544 9.882 0.846 171 1HD2 ASN 21 1HD2 ASN 21 10.854 10.040 4.103 172 2HD2 ASN 21 2HD2 ASN 21 10.716 11.722 4.274 173 H LEU 22 H LEU 22 7.790 7.690 0.245 174 HA LEU 22 HA LEU 22 9.552 6.385 -1.747 175 1HB LEU 22 2HB LEU 22 7.027 5.675 -0.256 176 2HB LEU 22 1HB LEU 22 7.411 4.800 -1.731 177 HG LEU 22 HG LEU 22 8.731 4.692 0.938 178 1HD1 LEU 22 1HD1 LEU 22 8.154 2.830 -1.360 179 2HD1 LEU 22 3HD1 LEU 22 9.223 2.343 -0.038 180 3HD1 LEU 22 2HD1 LEU 22 7.538 2.758 0.293 181 1HD2 LEU 22 1HD2 LEU 22 10.288 4.464 -1.658 182 2HD2 LEU 22 3HD2 LEU 22 10.593 5.599 -0.326 183 3HD2 LEU 22 2HD2 LEU 22 10.859 3.863 -0.098 184 H ASN 23 H ASN 23 9.211 6.485 -3.904 185 HA ASN 23 HA ASN 23 6.921 8.163 -4.857 186 1HB ASN 23 2HB ASN 23 8.383 8.379 -6.934 187 2HB ASN 23 1HB ASN 23 9.019 9.109 -5.477 188 1HD2 ASN 23 1HD2 ASN 23 11.108 8.426 -4.815 189 2HD2 ASN 23 2HD2 ASN 23 11.937 7.117 -5.507 190 H GLU 24 H GLU 24 6.587 7.503 -7.380 191 HA GLU 24 HA GLU 24 5.046 5.107 -7.375 192 1HB GLU 24 2HB GLU 24 4.746 7.051 -8.892 193 2HB GLU 24 1HB GLU 24 6.275 6.674 -9.681 194 1HG GLU 24 2HG GLU 24 4.454 5.796 -11.038 195 2HG GLU 24 1HG GLU 24 5.333 4.443 -10.331 196 H GLU 25 H GLU 25 8.386 5.695 -8.527 197 HA GLU 25 HA GLU 25 8.757 3.048 -9.647 198 1HB GLU 25 2HB GLU 25 10.069 5.086 -10.226 199 2HB GLU 25 1HB GLU 25 10.774 5.072 -8.612 200 1HG GLU 25 2HG GLU 25 12.320 4.018 -10.198 201 2HG GLU 25 1HG GLU 25 11.721 2.814 -9.063 202 H GLN 26 H GLN 26 9.667 4.475 -6.467 203 HA GLN 26 HA GLN 26 10.875 2.026 -5.445 204 1HB GLN 26 2HB GLN 26 9.856 4.531 -4.075 205 2HB GLN 26 1HB GLN 26 10.859 3.304 -3.307 206 1HG GLN 26 2HG GLN 26 11.733 4.708 -5.843 207 2HG GLN 26 1HG GLN 26 12.059 5.385 -4.255 208 1HE2 GLN 26 1HE2 GLN 26 14.339 5.041 -4.157 209 2HE2 GLN 26 2HE2 GLN 26 15.053 3.504 -4.233 210 H ARG 27 H ARG 27 7.766 3.650 -4.669 211 HA ARG 27 HA ARG 27 6.783 1.667 -2.874 212 1HB ARG 27 2HB ARG 27 5.790 3.846 -2.963 213 2HB ARG 27 1HB ARG 27 5.490 3.728 -4.694 214 1HG ARG 27 2HG ARG 27 3.925 1.780 -4.144 215 2HG ARG 27 1HG ARG 27 4.051 2.287 -2.460 216 1HD ARG 27 2HD ARG 27 2.086 3.337 -3.438 217 2HD ARG 27 1HD ARG 27 3.318 4.592 -3.202 218 HE ARG 27 HE ARG 27 3.109 3.192 -5.844 219 1HH1 ARG 27 1HH1 ARG 27 1.506 4.905 -6.863 220 2HH1 ARG 27 2HH1 ARG 27 2.204 6.487 -6.906 221 1HH2 ARG 27 1HH2 ARG 27 4.695 5.751 -4.591 222 2HH2 ARG 27 2HH2 ARG 27 4.015 6.969 -5.615 223 H ASN 28 H ASN 28 5.986 2.064 -6.412 224 HA ASN 28 HA ASN 28 4.262 -0.228 -6.585 225 1HB ASN 28 2HB ASN 28 4.323 1.662 -8.165 226 2HB ASN 28 1HB ASN 28 5.915 1.170 -8.681 227 1HD2 ASN 28 1HD2 ASN 28 5.361 0.624 -10.859 228 2HD2 ASN 28 2HD2 ASN 28 4.322 -0.663 -11.242 229 H ALA 29 H ALA 29 7.749 0.153 -7.328 230 HA ALA 29 HA ALA 29 8.260 -2.491 -8.308 231 1HB ALA 29 1HB ALA 29 9.756 -0.492 -8.343 232 2HB ALA 29 2HB ALA 29 10.553 -1.944 -7.726 233 3HB ALA 29 3HB ALA 29 9.997 -0.698 -6.606 234 H PHE 30 H PHE 30 8.126 -1.133 -5.027 235 HA PHE 30 HA PHE 30 8.965 -3.473 -3.579 236 1HB PHE 30 2HB PHE 30 7.375 -0.974 -3.013 237 2HB PHE 30 1HB PHE 30 7.528 -2.225 -1.781 238 HD1 PHE 30 HD1 PHE 30 10.424 -3.014 -3.049 239 HD2 PHE 30 HD2 PHE 30 8.632 0.558 -1.483 240 HE1 PHE 30 HE1 PHE 30 12.632 -2.201 -2.403 241 HE2 PHE 30 HE2 PHE 30 10.864 1.372 -0.832 242 HZ PHE 30 HZ PHE 30 12.860 -0.054 -1.283 243 H ILE 31 H ILE 31 5.797 -2.208 -4.488 244 HA ILE 31 HA ILE 31 4.234 -4.346 -3.355 245 HB ILE 31 HB ILE 31 3.808 -2.359 -5.609 246 1HG1 ILE 31 2HG1 ILE 31 2.722 -2.338 -2.816 247 2HG1 ILE 31 1HG1 ILE 31 4.281 -1.631 -3.177 248 1HG2 ILE 31 2HG2 ILE 31 2.215 -4.601 -4.835 249 2HG2 ILE 31 1HG2 ILE 31 1.394 -3.111 -4.370 250 3HG2 ILE 31 3HG2 ILE 31 1.869 -3.371 -6.049 251 1HD1 ILE 31 1HD1 ILE 31 1.692 -0.892 -4.554 252 2HD1 ILE 31 3HD1 ILE 31 2.420 0.008 -3.204 253 3HD1 ILE 31 2HD1 ILE 31 3.278 -0.103 -4.744 254 H GLN 32 H GLN 32 6.105 -4.060 -6.402 255 HA GLN 32 HA GLN 32 4.924 -6.431 -7.662 256 1HB GLN 32 2HB GLN 32 7.429 -4.769 -8.092 257 2HB GLN 32 1HB GLN 32 7.032 -6.155 -9.106 258 1HG GLN 32 2HG GLN 32 4.941 -5.136 -9.789 259 2HG GLN 32 1HG GLN 32 5.158 -3.813 -8.649 260 1HE2 GLN 32 1HE2 GLN 32 6.430 -5.202 -11.691 261 2HE2 GLN 32 2HE2 GLN 32 7.224 -3.787 -12.188 262 H SER 33 H SER 33 7.991 -5.777 -5.898 263 HA SER 33 HA SER 33 8.926 -8.520 -5.779 264 1HB SER 33 2HB SER 33 10.409 -7.505 -3.989 265 2HB SER 33 1HB SER 33 10.477 -6.729 -5.568 266 HG SER 33 HG SER 33 9.953 -4.994 -4.516 267 H LEU 34 H LEU 34 6.832 -6.577 -3.762 268 HA LEU 34 HA LEU 34 6.751 -8.349 -1.447 269 1HB LEU 34 2HB LEU 34 6.544 -5.863 -1.499 270 2HB LEU 34 1HB LEU 34 5.036 -6.024 -2.383 271 HG LEU 34 HG LEU 34 4.155 -7.333 -0.398 272 1HD1 LEU 34 1HD1 LEU 34 6.743 -6.300 0.752 273 2HD1 LEU 34 3HD1 LEU 34 5.381 -6.829 1.737 274 3HD1 LEU 34 2HD1 LEU 34 6.196 -7.975 0.671 275 1HD2 LEU 34 1HD2 LEU 34 5.060 -4.459 -0.161 276 2HD2 LEU 34 3HD2 LEU 34 3.486 -5.047 -0.692 277 3HD2 LEU 34 2HD2 LEU 34 3.968 -5.216 0.991 278 H LYS 35 H LYS 35 4.486 -7.610 -4.166 279 HA LYS 35 HA LYS 35 2.356 -9.341 -3.295 280 1HB LYS 35 2HB LYS 35 3.132 -7.953 -5.850 281 2HB LYS 35 1HB LYS 35 1.883 -9.166 -5.923 282 1HG LYS 35 2HG LYS 35 1.844 -6.752 -4.165 283 2HG LYS 35 1HG LYS 35 0.909 -6.979 -5.624 284 1HD LYS 35 2HD LYS 35 0.485 -9.274 -3.977 285 2HD LYS 35 1HD LYS 35 0.243 -7.846 -2.981 286 1HE LYS 35 2HE LYS 35 -1.666 -7.295 -4.047 287 2HE LYS 35 1HE LYS 35 -0.958 -7.596 -5.643 288 1HZ LYS 35 3HZ LYS 35 -1.163 -9.980 -5.253 289 2HZ LYS 35 2HZ LYS 35 -1.854 -9.694 -3.724 290 3HZ LYS 35 1HZ LYS 35 -2.680 -9.237 -5.133 291 H ASP 36 H ASP 36 5.271 -9.972 -5.232 292 HA ASP 36 HA ASP 36 4.380 -12.744 -5.822 293 1HB ASP 36 2HB ASP 36 6.694 -10.987 -6.661 294 2HB ASP 36 1HB ASP 36 6.599 -12.689 -7.111 295 H ASP 37 H ASP 37 6.660 -11.084 -3.630 296 HA ASP 37 HA ASP 37 7.620 -13.784 -2.718 297 1HB ASP 37 2HB ASP 37 9.173 -11.993 -3.871 298 2HB ASP 37 1HB ASP 37 9.156 -11.238 -2.277 299 HA PRO 38 HA PRO 38 5.390 -12.308 0.968 300 1HB PRO 38 2HB PRO 38 5.250 -14.766 2.164 301 2HB PRO 38 1HB PRO 38 4.139 -14.245 0.883 302 1HG PRO 38 2HG PRO 38 6.558 -15.970 0.681 303 2HG PRO 38 1HG PRO 38 4.964 -16.167 -0.069 304 1HD PRO 38 1HD PRO 38 7.076 -15.183 -1.421 305 2HD PRO 38 2HD PRO 38 5.407 -14.655 -1.731 306 H SER 39 H SER 39 8.198 -14.579 1.062 307 HA SER 39 HA SER 39 8.933 -14.065 3.794 308 1HB SER 39 2HB SER 39 10.923 -15.299 3.231 309 2HB SER 39 1HB SER 39 9.594 -16.012 2.326 310 HG SER 39 HG SER 39 10.330 -15.035 0.490 311 H GLN 40 H GLN 40 9.759 -12.339 0.797 312 HA GLN 40 HA GLN 40 11.846 -10.713 2.106 313 1HB GLN 40 2HB GLN 40 10.818 -11.284 -0.584 314 2HB GLN 40 1HB GLN 40 11.209 -9.586 -0.356 315 1HG GLN 40 2HG GLN 40 13.219 -10.583 -1.113 316 2HG GLN 40 1HG GLN 40 13.436 -10.378 0.624 317 1HE2 GLN 40 1HE2 GLN 40 13.089 -12.773 -1.944 318 2HE2 GLN 40 2HE2 GLN 40 13.328 -14.134 -0.957 319 H SER 41 H SER 41 8.443 -10.547 2.164 320 HA SER 41 HA SER 41 7.850 -7.854 1.587 321 1HB SER 41 2HB SER 41 5.866 -8.259 3.010 322 2HB SER 41 1HB SER 41 6.216 -9.677 2.032 323 HG SER 41 HG SER 41 6.603 -10.759 3.800 324 H ALA 42 H ALA 42 8.902 -9.149 4.828 325 HA ALA 42 HA ALA 42 8.730 -6.618 6.196 326 1HB ALA 42 2HB ALA 42 10.657 -8.920 6.529 327 2HB ALA 42 3HB ALA 42 9.067 -8.793 7.296 328 3HB ALA 42 1HB ALA 42 10.350 -7.658 7.725 329 H ASN 43 H ASN 43 11.483 -8.219 4.529 330 HA ASN 43 HA ASN 43 13.469 -6.197 4.843 331 1HB ASN 43 2HB ASN 43 12.905 -8.509 3.115 332 2HB ASN 43 1HB ASN 43 13.835 -7.240 2.306 333 1HD2 ASN 43 1HD2 ASN 43 13.885 -8.497 5.724 334 2HD2 ASN 43 2HD2 ASN 43 15.554 -8.800 5.731 335 H LEU 44 H LEU 44 10.877 -6.676 2.462 336 HA LEU 44 HA LEU 44 11.532 -4.519 0.698 337 1HB LEU 44 2HB LEU 44 9.083 -6.116 1.353 338 2HB LEU 44 1HB LEU 44 9.014 -4.790 0.182 339 HG LEU 44 HG LEU 44 11.050 -7.011 0.100 340 1HD1 LEU 44 3HD1 LEU 44 8.410 -7.341 -0.330 341 2HD1 LEU 44 2HD1 LEU 44 8.922 -6.822 -1.940 342 3HD1 LEU 44 1HD1 LEU 44 9.657 -8.247 -1.193 343 1HD2 LEU 44 3HD2 LEU 44 10.782 -4.412 -1.130 344 2HD2 LEU 44 2HD2 LEU 44 12.066 -5.620 -1.317 345 3HD2 LEU 44 1HD2 LEU 44 10.644 -5.693 -2.380 346 H LEU 45 H LEU 45 9.442 -4.720 3.572 347 HA LEU 45 HA LEU 45 8.698 -1.913 3.345 348 1HB LEU 45 2HB LEU 45 7.344 -3.293 4.686 349 2HB LEU 45 1HB LEU 45 8.715 -3.947 5.572 350 HG LEU 45 HG LEU 45 9.075 -1.856 6.707 351 1HD1 LEU 45 2HD1 LEU 45 6.991 -0.756 4.795 352 2HD1 LEU 45 1HD1 LEU 45 7.588 0.119 6.205 353 3HD1 LEU 45 3HD1 LEU 45 8.687 -0.292 4.887 354 1HD2 LEU 45 2HD2 LEU 45 7.178 -3.352 7.448 355 2HD2 LEU 45 1HD2 LEU 45 7.034 -1.667 7.958 356 3HD2 LEU 45 3HD2 LEU 45 6.079 -2.264 6.600 357 H ALA 46 H ALA 46 11.199 -3.704 5.257 358 HA ALA 46 HA ALA 46 12.502 -1.506 6.512 359 1HB ALA 46 1HB ALA 46 13.349 -4.162 5.327 360 2HB ALA 46 3HB ALA 46 14.588 -3.053 5.930 361 3HB ALA 46 2HB ALA 46 13.333 -3.652 7.026 362 H GLU 47 H GLU 47 13.139 -2.812 3.182 363 HA GLU 47 HA GLU 47 15.166 -0.832 2.635 364 1HB GLU 47 2HB GLU 47 14.947 -1.625 0.286 365 2HB GLU 47 1HB GLU 47 15.168 -2.935 1.433 366 1HG GLU 47 2HG GLU 47 12.649 -3.161 1.384 367 2HG GLU 47 1HG GLU 47 12.706 -2.116 -0.035 368 H ALA 48 H ALA 48 11.607 -0.995 2.133 369 HA ALA 48 HA ALA 48 11.401 1.512 0.718 370 1HB ALA 48 1HB ALA 48 9.770 -0.442 1.090 371 2HB ALA 48 3HB ALA 48 9.466 0.270 2.680 372 3HB ALA 48 2HB ALA 48 9.081 1.178 1.210 373 H LYS 49 H LYS 49 11.481 0.615 4.175 374 HA LYS 49 HA LYS 49 10.950 3.184 5.371 375 1HB LYS 49 2HB LYS 49 12.416 0.651 6.189 376 2HB LYS 49 1HB LYS 49 12.110 1.941 7.322 377 1HG LYS 49 2HG LYS 49 10.025 0.346 5.832 378 2HG LYS 49 1HG LYS 49 10.420 0.170 7.529 379 1HD LYS 49 2HD LYS 49 9.441 2.745 6.310 380 2HD LYS 49 1HD LYS 49 8.369 1.543 7.015 381 1HE LYS 49 2HE LYS 49 9.777 1.668 9.121 382 2HE LYS 49 1HE LYS 49 10.558 3.090 8.407 383 1HZ LYS 49 2HZ LYS 49 7.617 2.757 8.778 384 2HZ LYS 49 1HZ LYS 49 8.619 3.714 9.761 385 3HZ LYS 49 3HZ LYS 49 8.394 4.124 8.131 386 H LYS 50 H LYS 50 13.768 1.355 4.399 387 HA LYS 50 HA LYS 50 15.904 3.084 5.185 388 1HB LYS 50 2HB LYS 50 16.419 0.841 4.693 389 2HB LYS 50 1HB LYS 50 15.342 0.807 3.317 390 1HG LYS 50 2HG LYS 50 17.135 2.517 2.316 391 2HG LYS 50 1HG LYS 50 18.186 1.679 3.459 392 1HD LYS 50 2HD LYS 50 16.378 0.203 1.508 393 2HD LYS 50 1HD LYS 50 18.051 0.633 1.127 394 1HE LYS 50 2HE LYS 50 18.764 -0.607 3.225 395 2HE LYS 50 1HE LYS 50 17.092 -1.183 3.373 396 1HZ LYS 50 3HZ LYS 50 17.249 -2.022 1.079 397 2HZ LYS 50 2HZ LYS 50 18.881 -1.551 1.017 398 3HZ LYS 50 1HZ LYS 50 18.383 -2.763 2.097 399 H LEU 51 H LEU 51 13.921 2.800 2.234 400 HA LEU 51 HA LEU 51 15.312 4.819 0.681 401 1HB LEU 51 2HB LEU 51 12.902 3.117 0.560 402 2HB LEU 51 1HB LEU 51 12.740 4.644 -0.294 403 HG LEU 51 HG LEU 51 14.362 4.109 -1.839 404 1HD1 LEU 51 1HD1 LEU 51 15.547 2.455 0.360 405 2HD1 LEU 51 3HD1 LEU 51 15.953 2.073 -1.314 406 3HD1 LEU 51 2HD1 LEU 51 16.320 3.673 -0.659 407 1HD2 LEU 51 2HD2 LEU 51 12.965 1.652 -0.870 408 2HD2 LEU 51 1HD2 LEU 51 12.746 2.537 -2.381 409 3HD2 LEU 51 3HD2 LEU 51 14.161 1.503 -2.162 410 H ASN 52 H ASN 52 12.535 4.826 2.879 411 HA ASN 52 HA ASN 52 11.495 7.403 2.343 412 1HB ASN 52 2HB ASN 52 10.530 5.523 3.733 413 2HB ASN 52 1HB ASN 52 11.651 5.979 5.015 414 1HD2 ASN 52 1HD2 ASN 52 10.980 7.630 6.398 415 2HD2 ASN 52 2HD2 ASN 52 9.652 8.649 6.108 416 H ASP 53 H ASP 53 14.054 6.367 4.630 417 HA ASP 53 HA ASP 53 14.598 9.090 5.588 418 1HB ASP 53 2HB ASP 53 16.142 6.484 5.830 419 2HB ASP 53 1HB ASP 53 16.462 7.944 6.760 420 H ALA 54 H ALA 54 16.130 6.840 3.262 421 HA ALA 54 HA ALA 54 18.449 8.461 2.663 422 1HB ALA 54 3HB ALA 54 16.980 6.389 0.994 423 2HB ALA 54 2HB ALA 54 18.651 6.906 0.762 424 3HB ALA 54 1HB ALA 54 18.194 6.024 2.219 425 H GLN 55 H GLN 55 15.243 8.145 1.106 426 HA GLN 55 HA GLN 55 15.820 10.265 -0.871 427 1HB GLN 55 2HB GLN 55 13.333 8.653 -0.236 428 2HB GLN 55 1HB GLN 55 13.529 9.706 -1.631 429 1HG GLN 55 2HG GLN 55 15.446 8.312 -2.398 430 2HG GLN 55 1HG GLN 55 15.187 7.226 -1.029 431 1HE2 GLN 55 1HE2 GLN 55 12.548 6.751 -0.902 432 2HE2 GLN 55 2HE2 GLN 55 11.925 6.167 -2.368 433 H ALA 56 H ALA 56 15.065 10.397 2.382 434 HA ALA 56 HA ALA 56 12.842 12.231 2.488 435 1HB ALA 56 3HB ALA 56 14.702 12.522 4.676 436 2HB ALA 56 2HB ALA 56 13.104 11.780 4.682 437 3HB ALA 56 1HB ALA 56 14.520 10.810 4.274 438 HA PRO 57 HA PRO 57 14.741 16.047 1.545 439 1HB PRO 57 2HB PRO 57 13.254 17.750 3.095 440 2HB PRO 57 1HB PRO 57 12.639 16.989 1.615 441 1HG PRO 57 2HG PRO 57 12.204 16.207 4.456 442 2HG PRO 57 1HG PRO 57 11.057 16.241 3.107 443 1HD PRO 57 1HD PRO 57 12.227 13.963 3.996 444 2HD PRO 57 2HD PRO 57 11.740 14.205 2.303 445 H LYS 58 H LYS 58 14.435 15.148 4.972 446 HA LYS 58 HA LYS 58 16.957 16.667 5.555 447 1HB LYS 58 2HB LYS 58 14.836 17.723 6.422 448 2HB LYS 58 1HB LYS 58 14.562 16.271 7.386 449 1HG LYS 58 2HG LYS 58 15.639 17.768 8.873 450 2HG LYS 58 1HG LYS 58 16.930 16.693 8.338 451 1HD LYS 58 2HD LYS 58 17.656 18.327 6.676 452 2HD LYS 58 1HD LYS 58 16.310 19.386 7.094 453 1HE LYS 58 2HE LYS 58 17.205 19.771 9.314 454 2HE LYS 58 1HE LYS 58 18.458 18.539 9.074 455 1HZ LYS 58 1HZ LYS 58 18.128 21.004 7.435 456 2HZ LYS 58 3HZ LYS 58 19.314 20.769 8.624 457 3HZ LYS 58 2HZ LYS 58 19.328 19.819 7.217 458 H1 VAL 1 3H VAL 1 4.842 -10.504 -11.357 459 H2 VAL 1 2H VAL 1 5.800 -11.599 -10.482 460 H3 VAL 1 1H VAL 1 6.511 -10.580 -11.641 461 HA VAL 1 HA VAL 1 5.592 -11.751 -13.443 462 HB VAL 1 HB VAL 1 6.449 -13.589 -11.172 463 1HG1 VAL 1 3HG1 VAL 1 6.031 -14.171 -14.114 464 2HG1 VAL 1 2HG1 VAL 1 7.088 -15.152 -13.097 465 3HG1 VAL 1 1HG1 VAL 1 5.366 -15.039 -12.729 466 1HG2 VAL 1 3HG2 VAL 1 7.896 -12.264 -13.486 467 2HG2 VAL 1 2HG2 VAL 1 8.184 -12.026 -11.762 468 3HG2 VAL 1 1HG2 VAL 1 8.607 -13.559 -12.522 469 H ASP 2 H ASP 2 4.349 -13.483 -10.535 470 HA ASP 2 HA ASP 2 1.956 -14.403 -11.976 471 1HB ASP 2 2HB ASP 2 2.826 -14.567 -9.063 472 2HB ASP 2 1HB ASP 2 1.471 -15.453 -9.761 473 H ASN 3 H ASN 3 -0.087 -13.520 -11.848 474 HA ASN 3 HA ASN 3 -1.785 -11.954 -11.442 475 1HB ASN 3 2HB ASN 3 -0.348 -11.994 -8.765 476 2HB ASN 3 1HB ASN 3 -1.880 -11.166 -9.025 477 1HD2 ASN 3 1HD2 ASN 3 -3.679 -12.662 -10.020 478 2HD2 ASN 3 2HD2 ASN 3 -3.720 -14.261 -9.458 479 H LYS 4 H LYS 4 -1.006 -10.424 -13.002 480 HA LYS 4 HA LYS 4 0.988 -8.392 -12.328 481 1HB LYS 4 2HB LYS 4 0.405 -9.414 -14.607 482 2HB LYS 4 1HB LYS 4 -1.024 -8.382 -14.597 483 1HG LYS 4 2HG LYS 4 0.401 -6.382 -14.389 484 2HG LYS 4 1HG LYS 4 1.840 -7.399 -14.347 485 1HD LYS 4 2HD LYS 4 1.678 -6.659 -16.601 486 2HD LYS 4 1HD LYS 4 1.068 -8.314 -16.620 487 1HE LYS 4 2HE LYS 4 -1.247 -7.513 -16.589 488 2HE LYS 4 1HE LYS 4 -0.689 -5.835 -16.441 489 1HZ LYS 4 1HZ LYS 4 -0.021 -7.683 -18.681 490 2HZ LYS 4 3HZ LYS 4 -1.144 -6.416 -18.759 491 3HZ LYS 4 2HZ LYS 4 0.502 -6.071 -18.532 492 H PHE 5 H PHE 5 -0.695 -8.103 -10.260 493 HA PHE 5 HA PHE 5 -2.514 -5.798 -10.827 494 1HB PHE 5 2HB PHE 5 -2.383 -8.055 -8.835 495 2HB PHE 5 1HB PHE 5 -3.277 -6.598 -8.454 496 HD1 PHE 5 HD1 PHE 5 -3.048 -9.475 -10.766 497 HD2 PHE 5 HD2 PHE 5 -5.352 -6.054 -9.567 498 HE1 PHE 5 HE1 PHE 5 -4.963 -10.291 -12.111 499 HE2 PHE 5 HE2 PHE 5 -7.263 -6.868 -10.913 500 HZ PHE 5 HZ PHE 5 -7.071 -8.987 -12.185 501 H ASN 6 H ASN 6 0.636 -6.239 -9.909 502 HA ASN 6 HA ASN 6 0.835 -4.862 -7.388 503 1HB ASN 6 2HB ASN 6 3.010 -4.811 -9.465 504 2HB ASN 6 1HB ASN 6 3.157 -4.945 -7.720 505 1HD2 ASN 6 1HD2 ASN 6 1.159 -7.211 -7.506 506 2HD2 ASN 6 2HD2 ASN 6 1.942 -8.561 -8.161 507 H LYS 7 H LYS 7 0.990 -3.770 -10.738 508 HA LYS 7 HA LYS 7 1.647 -1.017 -10.290 509 1HB LYS 7 2HB LYS 7 1.110 -2.692 -12.452 510 2HB LYS 7 1HB LYS 7 -0.226 -1.543 -12.485 511 1HG LYS 7 2HG LYS 7 2.720 -0.804 -12.401 512 2HG LYS 7 1HG LYS 7 1.702 -0.749 -13.836 513 1HD LYS 7 2HD LYS 7 0.265 0.939 -12.791 514 2HD LYS 7 1HD LYS 7 1.201 0.845 -11.301 515 1HE LYS 7 2HE LYS 7 3.118 1.317 -13.309 516 2HE LYS 7 1HE LYS 7 1.762 2.390 -13.702 517 1HZ LYS 7 1HZ LYS 7 3.002 2.110 -11.008 518 2HZ LYS 7 3HZ LYS 7 3.263 3.402 -12.073 519 3HZ LYS 7 2HZ LYS 7 1.718 3.150 -11.413 520 H GLU 8 H GLU 8 -1.379 -2.789 -10.211 521 HA GLU 8 HA GLU 8 -3.168 -0.559 -10.023 522 1HB GLU 8 2HB GLU 8 -3.189 -3.476 -9.763 523 2HB GLU 8 1HB GLU 8 -4.357 -2.694 -8.697 524 1HG GLU 8 2HG GLU 8 -5.400 -1.564 -10.549 525 2HG GLU 8 1HG GLU 8 -4.117 -2.068 -11.650 526 H LEU 9 H LEU 9 -1.321 -2.323 -7.562 527 HA LEU 9 HA LEU 9 -2.651 -0.956 -5.339 528 1HB LEU 9 2HB LEU 9 0.090 -2.178 -5.130 529 2HB LEU 9 1HB LEU 9 -1.162 -2.056 -3.944 530 HG LEU 9 HG LEU 9 -1.612 -3.749 -6.374 531 1HD1 LEU 9 2HD1 LEU 9 0.159 -4.242 -4.049 532 2HD1 LEU 9 1HD1 LEU 9 -1.004 -5.533 -4.368 533 3HD1 LEU 9 3HD1 LEU 9 0.147 -5.049 -5.623 534 1HD2 LEU 9 1HD2 LEU 9 -3.524 -2.989 -4.909 535 2HD2 LEU 9 3HD2 LEU 9 -3.301 -4.749 -4.907 536 3HD2 LEU 9 2HD2 LEU 9 -2.727 -3.792 -3.545 537 H SER 10 H SER 10 -0.017 -0.278 -7.508 538 HA SER 10 HA SER 10 1.369 1.699 -5.939 539 1HB SER 10 2HB SER 10 2.645 1.780 -7.834 540 2HB SER 10 1HB SER 10 1.709 0.389 -8.335 541 HG SER 10 HG SER 10 1.450 3.095 -9.074 542 H VAL 11 H VAL 11 -1.240 1.839 -8.404 543 HA VAL 11 HA VAL 11 -1.676 4.730 -8.024 544 HB VAL 11 HB VAL 11 -3.284 2.655 -9.557 545 1HG1 VAL 11 2HG1 VAL 11 -3.155 5.652 -9.509 546 2HG1 VAL 11 1HG1 VAL 11 -3.560 4.835 -11.019 547 3HG1 VAL 11 3HG1 VAL 11 -4.563 4.596 -9.588 548 1HG2 VAL 11 2HG2 VAL 11 -0.896 4.308 -10.469 549 2HG2 VAL 11 1HG2 VAL 11 -0.891 2.558 -10.208 550 3HG2 VAL 11 3HG2 VAL 11 -1.871 3.262 -11.504 551 H ALA 12 H ALA 12 -3.648 1.764 -7.495 552 HA ALA 12 HA ALA 12 -5.807 3.064 -6.120 553 1HB ALA 12 1HB ALA 12 -5.744 0.773 -7.229 554 2HB ALA 12 2HB ALA 12 -6.534 0.831 -5.654 555 3HB ALA 12 3HB ALA 12 -4.886 0.192 -5.790 556 H GLY 13 H GLY 13 -3.153 1.113 -4.863 557 1HA GLY 13 1HA GLY 13 -2.086 1.056 -2.816 558 2HA GLY 13 2HA GLY 13 -3.672 1.388 -2.125 559 H ARG 14 H ARG 14 -1.291 3.273 -4.045 560 HA ARG 14 HA ARG 14 -0.589 4.959 -1.895 561 1HB ARG 14 2HB ARG 14 0.176 4.669 -4.497 562 2HB ARG 14 1HB ARG 14 -0.519 6.280 -4.530 563 1HG ARG 14 2HG ARG 14 1.673 5.251 -2.706 564 2HG ARG 14 1HG ARG 14 1.859 6.425 -4.000 565 1HD ARG 14 2HD ARG 14 0.923 8.140 -2.750 566 2HD ARG 14 1HD ARG 14 -0.077 7.025 -1.803 567 HE ARG 14 HE ARG 14 1.717 6.750 -0.314 568 1HH1 ARG 14 1HH1 ARG 14 2.795 9.373 -1.677 569 2HH1 ARG 14 2HH1 ARG 14 4.453 8.922 -1.901 570 1HH2 ARG 14 1HH2 ARG 14 3.887 5.535 -1.303 571 2HH2 ARG 14 2HH2 ARG 14 5.075 6.735 -1.687 572 H GLU 15 H GLU 15 -3.185 5.533 -4.362 573 HA GLU 15 HA GLU 15 -3.939 8.152 -3.376 574 1HB GLU 15 2HB GLU 15 -5.374 5.969 -4.913 575 2HB GLU 15 1HB GLU 15 -6.131 7.521 -4.559 576 1HG GLU 15 2HG GLU 15 -4.219 8.672 -5.682 577 2HG GLU 15 1HG GLU 15 -3.556 7.095 -6.111 578 H ILE 16 H ILE 16 -5.094 4.879 -2.593 579 HA ILE 16 HA ILE 16 -7.163 5.473 -0.697 580 HB ILE 16 HB ILE 16 -5.253 3.153 -1.163 581 1HG1 ILE 16 2HG1 ILE 16 -8.234 3.347 -1.742 582 2HG1 ILE 16 1HG1 ILE 16 -7.022 3.863 -2.907 583 1HG2 ILE 16 3HG2 ILE 16 -7.458 3.463 0.846 584 2HG2 ILE 16 2HG2 ILE 16 -7.243 1.886 0.074 585 3HG2 ILE 16 1HG2 ILE 16 -5.919 2.615 0.992 586 1HD1 ILE 16 1HD1 ILE 16 -6.039 1.434 -2.392 587 2HD1 ILE 16 3HD1 ILE 16 -7.723 1.115 -1.982 588 3HD1 ILE 16 2HD1 ILE 16 -7.303 1.689 -3.598 589 H VAL 17 H VAL 17 -3.677 5.189 -0.412 590 HA VAL 17 HA VAL 17 -3.711 5.248 2.529 591 HB VAL 17 HB VAL 17 -2.377 3.867 0.762 592 1HG1 VAL 17 1HG1 VAL 17 -1.380 6.263 0.030 593 2HG1 VAL 17 3HG1 VAL 17 -0.122 5.669 1.107 594 3HG1 VAL 17 2HG1 VAL 17 -0.628 4.709 -0.287 595 1HG2 VAL 17 1HG2 VAL 17 -1.179 4.986 3.244 596 2HG2 VAL 17 3HG2 VAL 17 -2.094 3.478 3.058 597 3HG2 VAL 17 2HG2 VAL 17 -0.484 3.644 2.336 598 H THR 18 H THR 18 -3.660 7.685 0.062 599 HA THR 18 HA THR 18 -2.309 9.580 1.964 600 HB THR 18 HB THR 18 -1.548 10.803 -0.053 601 HG1 THR 18 HG1 THR 18 -2.817 10.336 -1.691 602 1HG2 THR 18 1HG2 THR 18 -0.228 8.959 1.059 603 2HG2 THR 18 3HG2 THR 18 -0.814 7.887 -0.206 604 3HG2 THR 18 2HG2 THR 18 0.192 9.268 -0.624 605 H LEU 19 H LEU 19 -5.438 8.991 0.644 606 HA LEU 19 HA LEU 19 -6.160 11.659 -0.131 607 1HB LEU 19 2HB LEU 19 -8.510 10.945 0.452 608 2HB LEU 19 1HB LEU 19 -7.651 9.918 -0.674 609 HG LEU 19 HG LEU 19 -7.322 9.097 2.132 610 1HD1 LEU 19 3HD1 LEU 19 -10.025 9.107 0.770 611 2HD1 LEU 19 2HD1 LEU 19 -9.649 8.225 2.252 612 3HD1 LEU 19 1HD1 LEU 19 -9.585 9.990 2.229 613 1HD2 LEU 19 1HD2 LEU 19 -7.982 7.864 -0.546 614 2HD2 LEU 19 3HD2 LEU 19 -6.641 7.501 0.534 615 3HD2 LEU 19 2HD2 LEU 19 -8.261 6.942 0.932 616 HA PRO 20 HA PRO 20 -5.837 14.119 3.396 617 1HB PRO 20 2HB PRO 20 -7.691 16.056 2.872 618 2HB PRO 20 1HB PRO 20 -6.152 15.894 2.006 619 1HG PRO 20 2HG PRO 20 -8.882 15.045 1.186 620 2HG PRO 20 1HG PRO 20 -7.583 15.761 0.220 621 1HD PRO 20 1HD PRO 20 -8.185 13.095 0.213 622 2HD PRO 20 2HD PRO 20 -6.566 13.746 -0.143 623 H ASN 21 H ASN 21 -9.296 13.260 2.828 624 HA ASN 21 HA ASN 21 -9.987 14.047 5.600 625 1HB ASN 21 2HB ASN 21 -11.529 12.787 3.338 626 2HB ASN 21 1HB ASN 21 -12.248 13.228 4.874 627 1HD2 ASN 21 1HD2 ASN 21 -13.404 14.462 2.834 628 2HD2 ASN 21 2HD2 ASN 21 -12.899 16.080 2.681 629 H LEU 22 H LEU 22 -8.381 11.371 4.593 630 HA LEU 22 HA LEU 22 -9.999 9.419 6.138 631 1HB LEU 22 2HB LEU 22 -8.897 9.205 3.776 632 2HB LEU 22 1HB LEU 22 -7.457 8.851 4.711 633 HG LEU 22 HG LEU 22 -8.801 7.094 5.923 634 1HD1 LEU 22 3HD1 LEU 22 -10.912 8.268 4.420 635 2HD1 LEU 22 2HD1 LEU 22 -10.673 6.644 3.778 636 3HD1 LEU 22 1HD1 LEU 22 -11.002 6.875 5.494 637 1HD2 LEU 22 1HD2 LEU 22 -7.396 7.047 3.519 638 2HD2 LEU 22 3HD2 LEU 22 -7.855 5.643 4.481 639 3HD2 LEU 22 2HD2 LEU 22 -8.883 6.169 3.149 640 H ASN 23 H ASN 23 -9.017 8.108 7.686 641 HA ASN 23 HA ASN 23 -6.519 9.221 8.948 642 1HB ASN 23 2HB ASN 23 -7.468 8.710 11.143 643 2HB ASN 23 1HB ASN 23 -8.570 9.739 10.244 644 1HD2 ASN 23 1HD2 ASN 23 -9.566 8.229 12.400 645 2HD2 ASN 23 2HD2 ASN 23 -10.559 6.988 11.807 646 H ASP 24 H ASP 24 -5.262 7.561 10.207 647 HA ASP 24 HA ASP 24 -4.340 5.504 8.661 648 1HB ASP 24 2HB ASP 24 -3.236 4.635 10.660 649 2HB ASP 24 1HB ASP 24 -3.196 6.390 10.600 650 HA PRO 25 HA PRO 25 -7.027 2.032 10.639 651 1HB PRO 25 2HB PRO 25 -9.608 2.670 11.320 652 2HB PRO 25 1HB PRO 25 -8.260 2.669 12.476 653 1HG PRO 25 2HG PRO 25 -9.506 4.959 11.027 654 2HG PRO 25 1HG PRO 25 -8.991 4.841 12.718 655 1HD PRO 25 1HD PRO 25 -7.512 6.097 10.862 656 2HD PRO 25 2HD PRO 25 -6.788 5.218 12.214 657 H GLN 26 H GLN 26 -8.800 4.595 8.774 658 HA GLN 26 HA GLN 26 -10.436 2.743 7.262 659 1HB GLN 26 2HB GLN 26 -9.467 5.515 6.497 660 2HB GLN 26 1HB GLN 26 -10.898 4.703 5.879 661 1HG GLN 26 2HG GLN 26 -10.563 5.243 8.825 662 2HG GLN 26 1HG GLN 26 -11.209 6.469 7.748 663 1HE2 GLN 26 1HE2 GLN 26 -13.334 6.465 8.460 664 2HE2 GLN 26 2HE2 GLN 26 -14.365 5.121 8.380 665 H LYS 27 H LYS 27 -7.502 4.603 6.271 666 HA LYS 27 HA LYS 27 -7.039 3.356 3.773 667 1HB LYS 27 2HB LYS 27 -4.567 3.878 4.314 668 2HB LYS 27 1HB LYS 27 -5.696 5.212 4.204 669 1HG LYS 27 2HG LYS 27 -5.871 4.828 6.838 670 2HG LYS 27 1HG LYS 27 -4.299 4.084 6.595 671 1HD LYS 27 2HD LYS 27 -3.896 6.398 7.061 672 2HD LYS 27 1HD LYS 27 -3.613 6.160 5.342 673 1HE LYS 27 2HE LYS 27 -5.546 7.314 4.711 674 2HE LYS 27 1HE LYS 27 -6.350 7.025 6.262 675 1HZ LYS 27 2HZ LYS 27 -3.921 8.704 5.888 676 2HZ LYS 27 1HZ LYS 27 -5.497 9.308 6.076 677 3HZ LYS 27 3HZ LYS 27 -4.759 8.464 7.347 678 H LYS 28 H LYS 28 -6.056 2.311 7.005 679 HA LYS 28 HA LYS 28 -4.421 0.088 6.342 680 1HB LYS 28 2HB LYS 28 -6.005 1.121 8.602 681 2HB LYS 28 1HB LYS 28 -6.034 -0.635 8.573 682 1HG LYS 28 2HG LYS 28 -3.450 0.770 8.198 683 2HG LYS 28 1HG LYS 28 -4.100 0.645 9.815 684 1HD LYS 28 2HD LYS 28 -3.940 -1.674 9.840 685 2HD LYS 28 1HD LYS 28 -4.018 -1.797 8.083 686 1HE LYS 28 2HE LYS 28 -1.741 -2.318 8.755 687 2HE LYS 28 1HE LYS 28 -1.719 -0.719 7.991 688 1HZ LYS 28 2HZ LYS 28 -2.018 -1.156 10.925 689 2HZ LYS 28 1HZ LYS 28 -0.536 -0.818 10.167 690 3HZ LYS 28 3HZ LYS 28 -1.784 0.328 10.128 691 H ALA 29 H ALA 29 -7.969 0.319 6.852 692 HA ALA 29 HA ALA 29 -8.707 -2.395 6.493 693 1HB ALA 29 1HB ALA 29 -10.931 -1.509 6.333 694 2HB ALA 29 3HB ALA 29 -10.041 -0.425 7.400 695 3HB ALA 29 2HB ALA 29 -10.341 0.037 5.725 696 H PHE 30 H PHE 30 -8.741 0.241 3.951 697 HA PHE 30 HA PHE 30 -9.389 -1.819 1.963 698 1HB PHE 30 2HB PHE 30 -8.444 0.527 0.618 699 2HB PHE 30 1HB PHE 30 -10.043 -0.167 0.625 700 HD1 PHE 30 HD1 PHE 30 -7.799 2.179 2.377 701 HD2 PHE 30 HD2 PHE 30 -11.846 0.916 1.743 702 HE1 PHE 30 HE1 PHE 30 -8.634 4.263 3.427 703 HE2 PHE 30 HE2 PHE 30 -12.664 2.979 2.795 704 HZ PHE 30 HZ PHE 30 -11.062 4.665 3.643 705 H ILE 31 H ILE 31 -6.347 -0.163 2.964 706 HA ILE 31 HA ILE 31 -4.820 -0.972 0.701 707 HB ILE 31 HB ILE 31 -4.059 -0.446 3.581 708 1HG1 ILE 31 2HG1 ILE 31 -4.225 1.094 1.057 709 2HG1 ILE 31 1HG1 ILE 31 -4.138 1.686 2.726 710 1HG2 ILE 31 1HG2 ILE 31 -2.554 -2.240 2.470 711 2HG2 ILE 31 3HG2 ILE 31 -2.052 -0.963 1.350 712 3HG2 ILE 31 2HG2 ILE 31 -1.741 -0.808 3.078 713 1HD1 ILE 31 3HD1 ILE 31 -1.782 0.622 1.191 714 2HD1 ILE 31 2HD1 ILE 31 -2.216 2.320 1.252 715 3HD1 ILE 31 1HD1 ILE 31 -1.766 1.485 2.741 716 H PHE 32 H PHE 32 -5.262 -2.717 3.835 717 HA PHE 32 HA PHE 32 -3.744 -5.028 3.058 718 1HB PHE 32 2HB PHE 32 -5.765 -4.386 5.192 719 2HB PHE 32 1HB PHE 32 -5.249 -6.051 4.982 720 HD1 PHE 32 HD1 PHE 32 -3.509 -6.717 6.494 721 HD2 PHE 32 HD2 PHE 32 -3.471 -2.636 4.905 722 HE1 PHE 32 HE1 PHE 32 -1.439 -6.204 7.662 723 HE2 PHE 32 HE2 PHE 32 -1.413 -2.250 6.133 724 HZ PHE 32 HZ PHE 32 -0.393 -4.033 7.456 725 H SER 33 H SER 33 -7.263 -4.296 2.674 726 HA SER 33 HA SER 33 -7.899 -6.918 1.539 727 1HB SER 33 2HB SER 33 -10.034 -5.840 0.968 728 2HB SER 33 1HB SER 33 -9.561 -5.395 2.599 729 HG SER 33 HG SER 33 -10.285 -3.661 1.142 730 H LEU 34 H LEU 34 -6.860 -3.784 0.226 731 HA LEU 34 HA LEU 34 -7.106 -4.330 -2.608 732 1HB LEU 34 2HB LEU 34 -6.864 -2.078 -1.897 733 2HB LEU 34 1HB LEU 34 -5.553 -2.449 -0.805 734 HG LEU 34 HG LEU 34 -4.278 -3.006 -3.030 735 1HD1 LEU 34 2HD1 LEU 34 -6.335 -2.756 -4.454 736 2HD1 LEU 34 1HD1 LEU 34 -6.381 -1.041 -4.021 737 3HD1 LEU 34 3HD1 LEU 34 -5.022 -1.689 -4.946 738 1HD2 LEU 34 2HD2 LEU 34 -3.866 -1.098 -1.380 739 2HD2 LEU 34 1HD2 LEU 34 -3.442 -0.738 -3.056 740 3HD2 LEU 34 3HD2 LEU 34 -4.946 -0.122 -2.380 741 H TRP 35 H TRP 35 -4.598 -4.867 -0.172 742 HA TRP 35 HA TRP 35 -2.493 -5.787 -1.864 743 1HB TRP 35 2HB TRP 35 -2.264 -5.065 0.489 744 2HB TRP 35 1HB TRP 35 -3.179 -6.486 1.021 745 HD1 TRP 35 HD1 TRP 35 -1.797 -8.523 1.517 746 HE1 TRP 35 HE1 TRP 35 0.508 -9.390 0.804 747 HE3 TRP 35 HE3 TRP 35 -0.482 -4.859 -1.718 748 HZ2 TRP 35 HZ2 TRP 35 2.669 -8.588 -0.936 749 HZ3 TRP 35 HZ3 TRP 35 1.678 -4.936 -2.906 750 HH2 TRP 35 HH2 TRP 35 3.229 -6.782 -2.516 751 H ASP 36 H ASP 36 -5.006 -7.631 -0.046 752 HA ASP 36 HA ASP 36 -4.093 -10.209 -1.070 753 1HB ASP 36 2HB ASP 36 -6.553 -9.331 0.482 754 2HB ASP 36 1HB ASP 36 -6.104 -11.010 0.194 755 H ASP 37 H ASP 37 -6.782 -7.975 -1.825 756 HA ASP 37 HA ASP 37 -7.352 -9.668 -4.204 757 1HB ASP 37 2HB ASP 37 -9.459 -8.129 -2.666 758 2HB ASP 37 1HB ASP 37 -9.700 -9.411 -3.843 759 HA PRO 38 HA PRO 38 -6.486 -5.299 -5.522 760 1HB PRO 38 2HB PRO 38 -4.885 -5.949 -7.625 761 2HB PRO 38 1HB PRO 38 -4.285 -5.687 -5.979 762 1HG PRO 38 2HG PRO 38 -4.862 -8.252 -7.390 763 2HG PRO 38 1HG PRO 38 -3.506 -7.834 -6.328 764 1HD PRO 38 1HD PRO 38 -5.621 -9.299 -5.482 765 2HD PRO 38 2HD PRO 38 -4.718 -8.203 -4.409 766 H SER 39 H SER 39 -8.101 -8.055 -6.739 767 HA SER 39 HA SER 39 -8.777 -7.247 -9.427 768 1HB SER 39 2HB SER 39 -9.289 -9.381 -7.756 769 2HB SER 39 1HB SER 39 -10.850 -8.572 -7.769 770 HG SER 39 HG SER 39 -9.381 -9.683 -9.902 771 H GLN 40 H GLN 40 -9.980 -6.441 -6.188 772 HA GLN 40 HA GLN 40 -12.094 -4.602 -7.192 773 1HB GLN 40 2HB GLN 40 -11.200 -4.894 -4.319 774 2HB GLN 40 1HB GLN 40 -12.806 -4.529 -4.929 775 1HG GLN 40 2HG GLN 40 -11.388 -7.204 -4.944 776 2HG GLN 40 1HG GLN 40 -12.818 -6.762 -4.024 777 1HE2 GLN 40 1HE2 GLN 40 -12.257 -8.825 -6.300 778 2HE2 GLN 40 2HE2 GLN 40 -13.535 -8.563 -7.387 779 H SER 41 H SER 41 -8.861 -4.245 -7.221 780 HA SER 41 HA SER 41 -8.000 -2.173 -5.562 781 1HB SER 41 2HB SER 41 -6.631 -3.472 -7.063 782 2HB SER 41 1HB SER 41 -7.410 -2.742 -8.458 783 HG SER 41 HG SER 41 -5.995 -1.211 -8.282 784 H ALA 42 H ALA 42 -9.711 -1.829 -8.722 785 HA ALA 42 HA ALA 42 -9.656 1.056 -8.828 786 1HB ALA 42 3HB ALA 42 -11.635 -0.976 -9.936 787 2HB ALA 42 2HB ALA 42 -11.513 0.702 -10.462 788 3HB ALA 42 1HB ALA 42 -10.178 -0.412 -10.751 789 H ASN 43 H ASN 43 -12.035 -1.291 -7.537 790 HA ASN 43 HA ASN 43 -13.923 0.621 -6.547 791 1HB ASN 43 2HB ASN 43 -14.249 -1.843 -7.065 792 2HB ASN 43 1HB ASN 43 -13.374 -2.197 -5.576 793 1HD2 ASN 43 1HD2 ASN 43 -14.661 -2.367 -3.743 794 2HD2 ASN 43 2HD2 ASN 43 -16.217 -1.707 -3.578 795 H LEU 44 H LEU 44 -10.956 -0.837 -5.189 796 HA LEU 44 HA LEU 44 -11.361 -0.081 -2.427 797 1HB LEU 44 2HB LEU 44 -9.166 -0.979 -4.226 798 2HB LEU 44 1HB LEU 44 -8.700 -0.262 -2.684 799 HG LEU 44 HG LEU 44 -10.929 -2.200 -2.569 800 1HD1 LEU 44 3HD1 LEU 44 -8.303 -2.868 -3.734 801 2HD1 LEU 44 2HD1 LEU 44 -8.790 -3.898 -2.381 802 3HD1 LEU 44 1HD1 LEU 44 -9.828 -3.758 -3.796 803 1HD2 LEU 44 2HD2 LEU 44 -8.715 -1.105 -0.942 804 2HD2 LEU 44 1HD2 LEU 44 -10.335 -1.632 -0.457 805 3HD2 LEU 44 3HD2 LEU 44 -9.049 -2.823 -0.678 806 H LEU 45 H LEU 45 -9.559 1.396 -5.036 807 HA LEU 45 HA LEU 45 -8.641 3.770 -3.792 808 1HB LEU 45 2HB LEU 45 -7.851 3.035 -5.964 809 2HB LEU 45 1HB LEU 45 -9.482 3.057 -6.623 810 HG LEU 45 HG LEU 45 -9.555 5.415 -6.683 811 1HD1 LEU 45 2HD1 LEU 45 -7.392 5.204 -4.625 812 2HD1 LEU 45 1HD1 LEU 45 -7.438 6.643 -5.652 813 3HD1 LEU 45 3HD1 LEU 45 -8.832 6.231 -4.651 814 1HD2 LEU 45 3HD2 LEU 45 -8.042 4.397 -8.368 815 2HD2 LEU 45 2HD2 LEU 45 -7.545 6.033 -7.940 816 3HD2 LEU 45 1HD2 LEU 45 -6.681 4.644 -7.273 817 H ALA 46 H ALA 46 -11.690 3.004 -5.458 818 HA ALA 46 HA ALA 46 -12.955 5.575 -5.197 819 1HB ALA 46 3HB ALA 46 -13.535 3.518 -6.641 820 2HB ALA 46 2HB ALA 46 -14.236 2.830 -5.172 821 3HB ALA 46 1HB ALA 46 -14.906 4.315 -5.864 822 H GLU 47 H GLU 47 -13.097 2.575 -3.258 823 HA GLU 47 HA GLU 47 -14.874 3.319 -1.194 824 1HB GLU 47 2HB GLU 47 -12.565 1.438 -1.563 825 2HB GLU 47 1HB GLU 47 -13.269 1.594 0.046 826 1HG GLU 47 2HG GLU 47 -15.484 1.003 -0.857 827 2HG GLU 47 1HG GLU 47 -14.804 0.896 -2.479 828 H ALA 48 H ALA 48 -11.409 3.916 -1.593 829 HA ALA 48 HA ALA 48 -10.839 4.985 1.021 830 1HB ALA 48 1HB ALA 48 -8.846 4.588 -0.011 831 2HB ALA 48 2HB ALA 48 -9.063 6.143 -0.816 832 3HB ALA 48 3HB ALA 48 -9.579 4.638 -1.620 833 H LYS 49 H LYS 49 -11.514 6.569 -2.128 834 HA LYS 49 HA LYS 49 -11.600 9.286 -1.163 835 1HB LYS 49 2HB LYS 49 -12.887 7.898 -3.545 836 2HB LYS 49 1HB LYS 49 -12.772 9.649 -3.361 837 1HG LYS 49 2HG LYS 49 -10.296 9.464 -3.261 838 2HG LYS 49 1HG LYS 49 -10.427 7.723 -3.497 839 1HD LYS 49 2HD LYS 49 -11.689 8.226 -5.650 840 2HD LYS 49 1HD LYS 49 -11.207 9.910 -5.439 841 1HE LYS 49 2HE LYS 49 -8.797 8.639 -5.090 842 2HE LYS 49 1HE LYS 49 -9.577 7.582 -6.280 843 1HZ LYS 49 2HZ LYS 49 -10.116 9.532 -7.615 844 2HZ LYS 49 1HZ LYS 49 -9.348 10.543 -6.484 845 3HZ LYS 49 3HZ LYS 49 -8.438 9.420 -7.369 846 H LYS 50 H LYS 50 -14.182 6.855 -1.694 847 HA LYS 50 HA LYS 50 -16.431 8.502 -0.967 848 1HB LYS 50 2HB LYS 50 -15.909 5.511 -0.908 849 2HB LYS 50 1HB LYS 50 -17.499 6.217 -0.627 850 1HG LYS 50 2HG LYS 50 -17.480 7.240 -2.849 851 2HG LYS 50 1HG LYS 50 -15.843 6.650 -3.136 852 1HD LYS 50 2HD LYS 50 -16.711 4.306 -2.809 853 2HD LYS 50 1HD LYS 50 -18.341 4.976 -2.755 854 1HE LYS 50 2HE LYS 50 -18.282 5.636 -5.019 855 2HE LYS 50 1HE LYS 50 -16.511 5.594 -5.080 856 1HZ LYS 50 1HZ LYS 50 -16.608 3.185 -4.691 857 2HZ LYS 50 3HZ LYS 50 -18.306 3.243 -4.722 858 3HZ LYS 50 2HZ LYS 50 -17.417 3.616 -6.121 859 H LEU 51 H LEU 51 -14.347 6.318 0.966 860 HA LEU 51 HA LEU 51 -15.810 6.585 3.434 861 1HB LEU 51 2HB LEU 51 -14.236 4.755 2.769 862 2HB LEU 51 1HB LEU 51 -12.889 5.873 2.945 863 HG LEU 51 HG LEU 51 -13.065 5.897 5.289 864 1HD1 LEU 51 2HD1 LEU 51 -15.970 5.248 4.828 865 2HD1 LEU 51 1HD1 LEU 51 -15.233 4.874 6.384 866 3HD1 LEU 51 3HD1 LEU 51 -15.261 6.538 5.802 867 1HD2 LEU 51 2HD2 LEU 51 -13.747 3.244 4.101 868 2HD2 LEU 51 1HD2 LEU 51 -12.356 3.717 5.074 869 3HD2 LEU 51 3HD2 LEU 51 -13.904 3.395 5.850 870 H ASN 52 H ASN 52 -13.124 8.495 2.017 871 HA ASN 52 HA ASN 52 -12.495 10.084 4.324 872 1HB ASN 52 2HB ASN 52 -11.026 10.958 2.837 873 2HB ASN 52 1HB ASN 52 -11.622 9.763 1.719 874 1HD2 ASN 52 1HD2 ASN 52 -10.544 12.607 1.325 875 2HD2 ASN 52 2HD2 ASN 52 -11.733 13.392 0.404 876 H ASP 53 H ASP 53 -15.119 10.249 1.938 877 HA ASP 53 HA ASP 53 -16.076 12.890 2.471 878 1HB ASP 53 2HB ASP 53 -16.579 11.364 0.509 879 2HB ASP 53 1HB ASP 53 -17.650 10.459 1.576 880 H ALA 54 H ALA 54 -16.725 9.738 3.997 881 HA ALA 54 HA ALA 54 -19.028 10.491 5.559 882 1HB ALA 54 1HB ALA 54 -17.960 8.195 4.933 883 2HB ALA 54 3HB ALA 54 -16.951 8.452 6.359 884 3HB ALA 54 2HB ALA 54 -18.707 8.359 6.525 885 H GLN 55 H GLN 55 -15.527 10.688 6.165 886 HA GLN 55 HA GLN 55 -15.837 11.629 8.938 887 1HB GLN 55 2HB GLN 55 -13.577 11.147 6.985 888 2HB GLN 55 1HB GLN 55 -13.277 11.798 8.587 889 1HG GLN 55 2HG GLN 55 -14.219 9.850 9.651 890 2HG GLN 55 1HG GLN 55 -14.813 9.232 8.109 891 1HE2 GLN 55 1HE2 GLN 55 -12.705 9.395 6.412 892 2HE2 GLN 55 2HE2 GLN 55 -11.369 8.519 7.002 893 H ALA 56 H ALA 56 -15.176 13.011 5.727 894 HA ALA 56 HA ALA 56 -15.709 15.754 6.757 895 1HB ALA 56 3HB ALA 56 -13.420 15.913 6.927 896 2HB ALA 56 1HB ALA 56 -13.534 16.198 5.190 897 3HB ALA 56 2HB ALA 56 -13.154 14.585 5.797 898 HA PRO 57 HA PRO 57 -17.815 15.840 2.819 899 1HB PRO 57 2HB PRO 57 -18.079 18.539 2.452 900 2HB PRO 57 1HB PRO 57 -19.020 17.625 3.648 901 1HG PRO 57 2HG PRO 57 -16.595 19.304 4.034 902 2HG PRO 57 1HG PRO 57 -18.043 19.168 5.044 903 1HD PRO 57 1HD PRO 57 -15.681 17.941 5.619 904 2HD PRO 57 2HD PRO 57 -17.263 17.312 6.129 905 H LYS 58 H LYS 58 -15.397 15.102 2.100 906 HA LYS 58 HA LYS 58 -13.500 15.340 0.700 907 1HB LYS 58 2HB LYS 58 -16.030 15.946 -0.816 908 2HB LYS 58 1HB LYS 58 -14.485 15.845 -1.663 909 1HG LYS 58 2HG LYS 58 -14.111 13.596 -0.667 910 2HG LYS 58 1HG LYS 58 -15.696 13.689 0.094 911 1HD LYS 58 2HD LYS 58 -16.747 13.900 -2.140 912 2HD LYS 58 1HD LYS 58 -15.156 13.772 -2.890 913 1HE LYS 58 2HE LYS 58 -15.274 11.511 -2.795 914 2HE LYS 58 1HE LYS 58 -15.484 11.580 -1.037 915 1HZ LYS 58 2HZ LYS 58 -17.856 12.173 -1.464 916 2HZ LYS 58 1HZ LYS 58 -17.600 11.833 -3.110 917 3HZ LYS 58 3HZ LYS 58 -17.439 10.602 -1.954 No H/Q in entry = 917 Start of MODEL 36 1 H1 VAL 1 2H VAL 1 7.967 -19.732 1.461 2 H2 VAL 1 1H VAL 1 8.028 -18.416 0.388 3 H3 VAL 1 3H VAL 1 8.516 -18.218 1.999 4 HA VAL 1 HA VAL 1 6.355 -17.247 1.772 5 HB VAL 1 HB VAL 1 5.927 -18.627 -0.319 6 1HG1 VAL 1 1HG1 VAL 1 6.418 -20.855 0.713 7 2HG1 VAL 1 3HG1 VAL 1 4.938 -20.708 1.660 8 3HG1 VAL 1 2HG1 VAL 1 4.856 -20.803 -0.099 9 1HG2 VAL 1 1HG2 VAL 1 4.193 -17.222 0.889 10 2HG2 VAL 1 3HG2 VAL 1 3.535 -18.533 -0.090 11 3HG2 VAL 1 2HG2 VAL 1 3.636 -18.706 1.662 12 H ASP 2 H ASP 2 4.882 -17.346 3.536 13 HA ASP 2 HA ASP 2 4.775 -19.728 5.285 14 1HB ASP 2 2HB ASP 2 6.923 -18.326 5.711 15 2HB ASP 2 1HB ASP 2 5.836 -17.119 6.396 16 H ASN 3 H ASN 3 3.202 -19.401 7.073 17 HA ASN 3 HA ASN 3 0.786 -18.063 6.335 18 1HB ASN 3 2HB ASN 3 1.877 -19.045 8.994 19 2HB ASN 3 1HB ASN 3 0.214 -18.501 8.777 20 1HD2 ASN 3 1HD2 ASN 3 2.300 -21.230 8.475 21 2HD2 ASN 3 2HD2 ASN 3 1.227 -22.234 7.625 22 H LYS 4 H LYS 4 3.471 -17.009 8.469 23 HA LYS 4 HA LYS 4 2.229 -14.572 9.398 24 1HB LYS 4 2HB LYS 4 4.478 -14.033 10.182 25 2HB LYS 4 1HB LYS 4 4.167 -15.741 10.465 26 1HG LYS 4 2HG LYS 4 5.338 -16.072 8.139 27 2HG LYS 4 1HG LYS 4 5.968 -14.452 8.423 28 1HD LYS 4 2HD LYS 4 6.317 -15.858 10.854 29 2HD LYS 4 1HD LYS 4 6.824 -16.960 9.577 30 1HE LYS 4 2HE LYS 4 7.844 -14.318 9.002 31 2HE LYS 4 1HE LYS 4 8.309 -14.794 10.645 32 1HZ LYS 4 1HZ LYS 4 8.551 -16.607 8.299 33 2HZ LYS 4 3HZ LYS 4 9.823 -15.631 8.850 34 3HZ LYS 4 2HZ LYS 4 9.186 -16.840 9.857 35 H PHE 5 H PHE 5 4.259 -15.296 6.543 36 HA PHE 5 HA PHE 5 4.772 -12.642 5.689 37 1HB PHE 5 2HB PHE 5 4.461 -15.226 4.141 38 2HB PHE 5 1HB PHE 5 5.110 -13.745 3.451 39 HD1 PHE 5 HD1 PHE 5 6.685 -16.230 3.453 40 HD2 PHE 5 HD2 PHE 5 6.390 -13.192 6.481 41 HE1 PHE 5 HE1 PHE 5 8.924 -16.856 4.305 42 HE2 PHE 5 HE2 PHE 5 8.630 -13.814 7.314 43 HZ PHE 5 HZ PHE 5 9.891 -15.651 6.241 44 H ASN 6 H ASN 6 1.812 -14.557 5.419 45 HA ASN 6 HA ASN 6 0.489 -13.350 3.236 46 1HB ASN 6 2HB ASN 6 -0.170 -15.230 4.967 47 2HB ASN 6 1HB ASN 6 -0.932 -13.897 5.835 48 1HD2 ASN 6 1HD2 ASN 6 -2.361 -12.428 4.250 49 2HD2 ASN 6 2HD2 ASN 6 -3.321 -13.284 3.144 50 H LYS 7 H LYS 7 0.520 -12.176 6.674 51 HA LYS 7 HA LYS 7 -0.662 -9.623 5.738 52 1HB LYS 7 2HB LYS 7 -1.603 -10.682 7.728 53 2HB LYS 7 1HB LYS 7 -0.026 -10.583 8.536 54 1HG LYS 7 2HG LYS 7 -0.997 -8.049 7.389 55 2HG LYS 7 1HG LYS 7 -2.033 -8.686 8.662 56 1HD LYS 7 2HD LYS 7 0.942 -8.137 8.883 57 2HD LYS 7 1HD LYS 7 -0.350 -7.166 9.580 58 1HE LYS 7 2HE LYS 7 -0.291 -8.473 11.434 59 2HE LYS 7 1HE LYS 7 -0.765 -9.866 10.446 60 1HZ LYS 7 3HZ LYS 7 1.574 -10.127 9.789 61 2HZ LYS 7 2HZ LYS 7 2.010 -8.833 10.802 62 3HZ LYS 7 1HZ LYS 7 1.385 -10.264 11.469 63 H GLU 8 H GLU 8 2.540 -10.874 6.372 64 HA GLU 8 HA GLU 8 3.744 -8.383 7.257 65 1HB GLU 8 2HB GLU 8 4.817 -10.846 5.840 66 2HB GLU 8 1HB GLU 8 5.845 -9.487 6.281 67 1HG GLU 8 2HG GLU 8 4.202 -11.166 8.195 68 2HG GLU 8 1HG GLU 8 5.961 -11.210 8.001 69 H GLN 9 H GLN 9 3.095 -9.931 4.127 70 HA GLN 9 HA GLN 9 4.223 -7.915 2.430 71 1HB GLN 9 2HB GLN 9 1.910 -9.847 2.075 72 2HB GLN 9 1HB GLN 9 2.632 -8.916 0.771 73 1HG GLN 9 2HG GLN 9 4.744 -10.060 1.039 74 2HG GLN 9 1HG GLN 9 4.142 -10.921 2.458 75 1HE2 GLN 9 1HE2 GLN 9 2.454 -12.587 2.098 76 2HE2 GLN 9 2HE2 GLN 9 2.199 -13.233 0.551 77 H GLN 10 H GLN 10 1.072 -8.416 3.988 78 HA GLN 10 HA GLN 10 -0.418 -6.214 2.883 79 1HB GLN 10 2HB GLN 10 -0.746 -8.352 4.649 80 2HB GLN 10 1HB GLN 10 -1.020 -6.937 5.635 81 1HG GLN 10 2HG GLN 10 -3.110 -6.928 4.795 82 2HG GLN 10 1HG GLN 10 -2.393 -6.358 3.306 83 1HE2 GLN 10 1HE2 GLN 10 -2.519 -9.615 4.931 84 2HE2 GLN 10 2HE2 GLN 10 -3.114 -10.421 3.564 85 H ASN 11 H ASN 11 1.518 -6.508 5.882 86 HA ASN 11 HA ASN 11 1.140 -3.745 6.702 87 1HB ASN 11 2HB ASN 11 1.774 -5.818 8.102 88 2HB ASN 11 1HB ASN 11 3.408 -5.611 7.466 89 1HD2 ASN 11 1HD2 ASN 11 4.726 -4.041 8.479 90 2HD2 ASN 11 2HD2 ASN 11 4.167 -2.943 9.645 91 H ALA 12 H ALA 12 3.803 -5.519 5.072 92 HA ALA 12 HA ALA 12 5.606 -3.301 4.816 93 1HB ALA 12 2HB ALA 12 5.166 -5.926 3.397 94 2HB ALA 12 3HB ALA 12 6.503 -5.450 4.450 95 3HB ALA 12 1HB ALA 12 6.388 -4.784 2.818 96 H PHE 13 H PHE 13 3.032 -4.574 2.699 97 HA PHE 13 HA PHE 13 3.345 -2.783 0.471 98 1HB PHE 13 2HB PHE 13 1.932 -4.757 0.308 99 2HB PHE 13 1HB PHE 13 1.001 -4.279 1.722 100 HD1 PHE 13 HD1 PHE 13 -1.139 -3.534 1.231 101 HD2 PHE 13 HD2 PHE 13 2.067 -2.632 -1.457 102 HE1 PHE 13 HE1 PHE 13 -2.726 -2.398 -0.271 103 HE2 PHE 13 HE2 PHE 13 0.486 -1.491 -2.964 104 HZ PHE 13 HZ PHE 13 -1.909 -1.383 -2.362 105 H TYR 14 H TYR 14 1.115 -2.725 3.232 106 HA TYR 14 HA TYR 14 -0.084 -0.208 2.970 107 1HB TYR 14 2HB TYR 14 -0.681 -1.983 4.531 108 2HB TYR 14 1HB TYR 14 0.838 -1.779 5.390 109 HD1 TYR 14 HD1 TYR 14 1.083 -0.168 7.071 110 HD2 TYR 14 HD2 TYR 14 -2.330 -0.035 4.472 111 HE1 TYR 14 HE1 TYR 14 0.042 1.539 8.526 112 HE2 TYR 14 HE2 TYR 14 -3.372 1.645 5.896 113 HH TYR 14 HH TYR 14 -1.807 3.482 8.030 114 H GLU 15 H GLU 15 2.824 -0.987 4.943 115 HA GLU 15 HA GLU 15 3.512 1.685 5.645 116 1HB GLU 15 2HB GLU 15 5.125 -0.863 5.343 117 2HB GLU 15 1HB GLU 15 5.776 0.617 6.040 118 1HG GLU 15 2HG GLU 15 3.348 -0.883 7.086 119 2HG GLU 15 1HG GLU 15 4.955 -0.928 7.802 120 H ILE 16 H ILE 16 4.608 -0.321 2.817 121 HA ILE 16 HA ILE 16 6.444 1.547 1.669 122 HB ILE 16 HB ILE 16 4.700 -0.701 0.729 123 1HG1 ILE 16 2HG1 ILE 16 7.511 -0.273 -0.111 124 2HG1 ILE 16 1HG1 ILE 16 7.238 -0.472 1.616 125 1HG2 ILE 16 1HG2 ILE 16 5.924 1.299 -1.185 126 2HG2 ILE 16 3HG2 ILE 16 5.549 -0.364 -1.650 127 3HG2 ILE 16 2HG2 ILE 16 4.256 0.723 -1.141 128 1HD1 ILE 16 3HD1 ILE 16 5.660 -2.434 0.319 129 2HD1 ILE 16 2HD1 ILE 16 7.269 -2.479 -0.432 130 3HD1 ILE 16 1HD1 ILE 16 7.112 -2.678 1.311 131 H LEU 17 H LEU 17 2.931 1.268 1.235 132 HA LEU 17 HA LEU 17 2.565 3.577 -0.482 133 1HB LEU 17 2HB LEU 17 0.719 2.157 1.469 134 2HB LEU 17 1HB LEU 17 0.186 3.281 0.227 135 HG LEU 17 HG LEU 17 1.921 1.132 -0.776 136 1HD1 LEU 17 3HD1 LEU 17 -0.021 0.368 1.066 137 2HD1 LEU 17 2HD1 LEU 17 -0.811 0.212 -0.514 138 3HD1 LEU 17 1HD1 LEU 17 0.693 -0.642 -0.193 139 1HD2 LEU 17 1HD2 LEU 17 0.415 2.895 -1.998 140 2HD2 LEU 17 3HD2 LEU 17 0.500 1.214 -2.589 141 3HD2 LEU 17 2HD2 LEU 17 -0.876 1.713 -1.582 142 H HIS 18 H HIS 18 2.444 3.148 3.077 143 HA HIS 18 HA HIS 18 1.569 5.873 3.610 144 1HB HIS 18 2HB HIS 18 2.559 3.537 5.252 145 2HB HIS 18 1HB HIS 18 2.293 5.109 5.995 146 HD1 HIS 18 HD1 HIS 18 -0.203 6.081 5.898 147 HD2 HIS 18 HD2 HIS 18 0.175 2.090 4.779 148 HE1 HIS 18 HE1 HIS 18 -2.529 5.008 5.809 149 H LEU 19 H LEU 19 4.775 4.397 3.152 150 HA LEU 19 HA LEU 19 6.415 6.076 4.744 151 1HB LEU 19 2HB LEU 19 6.797 4.671 2.091 152 2HB LEU 19 1HB LEU 19 8.098 5.624 2.789 153 HG LEU 19 HG LEU 19 6.714 3.341 4.237 154 1HD1 LEU 19 3HD1 LEU 19 9.273 3.427 2.626 155 2HD1 LEU 19 2HD1 LEU 19 8.899 2.131 3.758 156 3HD1 LEU 19 1HD1 LEU 19 7.880 2.391 2.350 157 1HD2 LEU 19 2HD2 LEU 19 7.974 5.240 5.525 158 2HD2 LEU 19 1HD2 LEU 19 8.350 3.561 5.924 159 3HD2 LEU 19 3HD2 LEU 19 9.426 4.487 4.876 160 HA PRO 20 HA PRO 20 5.358 10.006 2.864 161 1HB PRO 20 2HB PRO 20 7.185 11.515 4.252 162 2HB PRO 20 1HB PRO 20 5.635 10.968 4.923 163 1HG PRO 20 2HG PRO 20 8.354 9.768 5.237 164 2HG PRO 20 1HG PRO 20 7.109 10.066 6.464 165 1HD PRO 20 1HD PRO 20 7.468 7.629 5.437 166 2HD PRO 20 2HD PRO 20 5.839 8.235 5.815 167 H ASN 21 H ASN 21 8.556 8.494 2.610 168 HA ASN 21 HA ASN 21 9.268 10.527 0.525 169 1HB ASN 21 2HB ASN 21 10.949 8.784 2.331 170 2HB ASN 21 1HB ASN 21 11.620 9.784 1.046 171 1HD2 ASN 21 1HD2 ASN 21 10.969 9.833 4.342 172 2HD2 ASN 21 2HD2 ASN 21 10.848 11.511 4.560 173 H LEU 22 H LEU 22 7.882 7.534 0.600 174 HA LEU 22 HA LEU 22 9.544 6.268 -1.494 175 1HB LEU 22 2HB LEU 22 7.133 5.552 0.145 176 2HB LEU 22 1HB LEU 22 7.311 4.754 -1.408 177 HG LEU 22 HG LEU 22 8.814 4.351 1.102 178 1HD1 LEU 22 1HD1 LEU 22 8.176 2.768 -1.384 179 2HD1 LEU 22 3HD1 LEU 22 9.206 2.120 -0.099 180 3HD1 LEU 22 2HD1 LEU 22 7.525 2.550 0.243 181 1HD2 LEU 22 1HD2 LEU 22 10.275 4.454 -1.554 182 2HD2 LEU 22 3HD2 LEU 22 10.664 5.357 -0.075 183 3HD2 LEU 22 2HD2 LEU 22 10.884 3.594 -0.136 184 H ASN 23 H ASN 23 9.205 6.625 -3.606 185 HA ASN 23 HA ASN 23 6.807 8.219 -4.428 186 1HB ASN 23 2HB ASN 23 8.236 8.638 -6.502 187 2HB ASN 23 1HB ASN 23 8.857 9.300 -5.007 188 1HD2 ASN 23 1HD2 ASN 23 10.959 8.615 -4.350 189 2HD2 ASN 23 2HD2 ASN 23 11.839 7.400 -5.145 190 H GLU 24 H GLU 24 6.540 7.670 -7.041 191 HA GLU 24 HA GLU 24 5.157 5.148 -7.095 192 1HB GLU 24 2HB GLU 24 6.093 7.094 -9.232 193 2HB GLU 24 1HB GLU 24 5.119 5.676 -9.612 194 1HG GLU 24 2HG GLU 24 3.802 6.876 -7.443 195 2HG GLU 24 1HG GLU 24 4.291 8.222 -8.466 196 H GLU 25 H GLU 25 8.416 6.083 -8.319 197 HA GLU 25 HA GLU 25 8.972 3.580 -9.632 198 1HB GLU 25 2HB GLU 25 10.234 5.720 -9.917 199 2HB GLU 25 1HB GLU 25 10.874 5.535 -8.286 200 1HG GLU 25 2HG GLU 25 12.525 4.711 -9.882 201 2HG GLU 25 1HG GLU 25 11.885 3.351 -8.964 202 H GLN 26 H GLN 26 9.708 4.718 -6.301 203 HA GLN 26 HA GLN 26 10.880 2.169 -5.479 204 1HB GLN 26 2HB GLN 26 10.288 4.838 -4.328 205 2HB GLN 26 1HB GLN 26 10.352 3.503 -3.179 206 1HG GLN 26 2HG GLN 26 12.583 4.468 -3.403 207 2HG GLN 26 1HG GLN 26 12.577 2.850 -4.098 208 1HE2 GLN 26 1HE2 GLN 26 13.168 2.655 -6.308 209 2HE2 GLN 26 2HE2 GLN 26 13.441 3.982 -7.330 210 H ARG 27 H ARG 27 7.835 3.822 -4.438 211 HA ARG 27 HA ARG 27 6.823 1.664 -2.880 212 1HB ARG 27 2HB ARG 27 5.919 3.928 -2.791 213 2HB ARG 27 1HB ARG 27 5.425 3.852 -4.480 214 1HG ARG 27 2HG ARG 27 3.971 1.850 -3.797 215 2HG ARG 27 1HG ARG 27 4.257 2.354 -2.134 216 1HD ARG 27 2HD ARG 27 2.181 3.366 -2.871 217 2HD ARG 27 1HD ARG 27 3.401 4.644 -2.805 218 HE ARG 27 HE ARG 27 2.845 3.196 -5.365 219 1HH1 ARG 27 1HH1 ARG 27 1.357 4.881 -6.415 220 2HH1 ARG 27 2HH1 ARG 27 2.065 6.456 -6.521 221 1HH2 ARG 27 1HH2 ARG 27 4.617 5.767 -4.258 222 2HH2 ARG 27 2HH2 ARG 27 3.920 6.956 -5.302 223 H ASN 28 H ASN 28 6.105 2.414 -6.393 224 HA ASN 28 HA ASN 28 4.235 0.234 -6.734 225 1HB ASN 28 2HB ASN 28 5.928 1.591 -8.833 226 2HB ASN 28 1HB ASN 28 4.460 0.702 -9.127 227 1HD2 ASN 28 1HD2 ASN 28 4.450 3.232 -10.119 228 2HD2 ASN 28 2HD2 ASN 28 3.518 4.272 -9.154 229 H ALA 29 H ALA 29 7.728 0.529 -7.578 230 HA ALA 29 HA ALA 29 8.058 -2.128 -8.645 231 1HB ALA 29 3HB ALA 29 9.684 -0.336 -8.917 232 2HB ALA 29 1HB ALA 29 10.450 -1.677 -8.067 233 3HB ALA 29 2HB ALA 29 9.917 -0.253 -7.172 234 H PHE 30 H PHE 30 8.111 -0.824 -5.361 235 HA PHE 30 HA PHE 30 9.099 -3.120 -3.945 236 1HB PHE 30 2HB PHE 30 7.577 -0.605 -3.411 237 2HB PHE 30 1HB PHE 30 7.537 -1.859 -2.170 238 HD1 PHE 30 HD1 PHE 30 8.904 -1.065 -0.532 239 HD2 PHE 30 HD2 PHE 30 10.361 -1.071 -4.550 240 HE1 PHE 30 HE1 PHE 30 11.110 -0.482 0.247 241 HE2 PHE 30 HE2 PHE 30 12.629 -0.488 -3.716 242 HZ PHE 30 HZ PHE 30 12.983 -0.251 -1.295 243 H ILE 31 H ILE 31 5.829 -1.979 -4.714 244 HA ILE 31 HA ILE 31 4.389 -4.163 -3.483 245 HB ILE 31 HB ILE 31 3.779 -2.157 -5.662 246 1HG1 ILE 31 2HG1 ILE 31 2.809 -2.268 -2.832 247 2HG1 ILE 31 1HG1 ILE 31 4.325 -1.488 -3.237 248 1HG2 ILE 31 2HG2 ILE 31 2.275 -4.464 -4.778 249 2HG2 ILE 31 1HG2 ILE 31 1.422 -2.950 -4.471 250 3HG2 ILE 31 3HG2 ILE 31 1.947 -3.353 -6.102 251 1HD1 ILE 31 2HD1 ILE 31 1.693 -0.810 -4.563 252 2HD1 ILE 31 1HD1 ILE 31 2.333 0.040 -3.137 253 3HD1 ILE 31 3HD1 ILE 31 3.235 0.082 -4.655 254 H GLN 32 H GLN 32 6.098 -3.798 -6.616 255 HA GLN 32 HA GLN 32 4.934 -6.204 -7.821 256 1HB GLN 32 2HB GLN 32 7.422 -4.542 -8.356 257 2HB GLN 32 1HB GLN 32 6.942 -5.904 -9.365 258 1HG GLN 32 2HG GLN 32 4.798 -4.818 -9.852 259 2HG GLN 32 1HG GLN 32 5.213 -3.473 -8.798 260 1HE2 GLN 32 1HE2 GLN 32 6.085 -5.065 -11.881 261 2HE2 GLN 32 2HE2 GLN 32 6.909 -3.726 -12.520 262 H SER 33 H SER 33 8.025 -5.472 -6.107 263 HA SER 33 HA SER 33 9.014 -8.200 -6.042 264 1HB SER 33 2HB SER 33 10.546 -7.202 -4.307 265 2HB SER 33 1HB SER 33 10.528 -6.359 -5.850 266 HG SER 33 HG SER 33 10.264 -4.778 -4.389 267 H LEU 34 H LEU 34 6.879 -6.339 -3.982 268 HA LEU 34 HA LEU 34 6.898 -8.175 -1.709 269 1HB LEU 34 2HB LEU 34 6.592 -5.698 -1.652 270 2HB LEU 34 1HB LEU 34 5.082 -5.880 -2.532 271 HG LEU 34 HG LEU 34 4.294 -7.353 -0.603 272 1HD1 LEU 34 2HD1 LEU 34 6.824 -6.218 0.567 273 2HD1 LEU 34 1HD1 LEU 34 5.487 -6.801 1.559 274 3HD1 LEU 34 3HD1 LEU 34 6.329 -7.910 0.478 275 1HD2 LEU 34 3HD2 LEU 34 3.757 -4.889 -0.992 276 2HD2 LEU 34 2HD2 LEU 34 3.607 -5.459 0.668 277 3HD2 LEU 34 1HD2 LEU 34 5.021 -4.530 0.184 278 H LYS 35 H LYS 35 4.554 -7.425 -4.358 279 HA LYS 35 HA LYS 35 2.563 -9.360 -3.532 280 1HB LYS 35 2HB LYS 35 3.097 -7.606 -5.891 281 2HB LYS 35 1HB LYS 35 2.050 -8.961 -6.180 282 1HG LYS 35 2HG LYS 35 1.083 -7.977 -3.805 283 2HG LYS 35 1HG LYS 35 1.495 -6.529 -4.724 284 1HD LYS 35 2HD LYS 35 -0.035 -6.985 -6.394 285 2HD LYS 35 1HD LYS 35 0.050 -8.728 -6.145 286 1HE LYS 35 2HE LYS 35 -0.994 -7.262 -3.804 287 2HE LYS 35 1HE LYS 35 -2.014 -7.128 -5.248 288 1HZ LYS 35 1HZ LYS 35 -0.911 -9.682 -4.182 289 2HZ LYS 35 3HZ LYS 35 -2.502 -9.143 -3.938 290 3HZ LYS 35 2HZ LYS 35 -1.965 -9.514 -5.506 291 H ASP 36 H ASP 36 5.461 -9.587 -5.565 292 HA ASP 36 HA ASP 36 4.778 -12.299 -6.517 293 1HB ASP 36 2HB ASP 36 7.207 -10.503 -6.844 294 2HB ASP 36 1HB ASP 36 7.003 -12.048 -7.659 295 H ASP 37 H ASP 37 7.027 -10.816 -4.124 296 HA ASP 37 HA ASP 37 7.825 -13.590 -3.275 297 1HB ASP 37 2HB ASP 37 9.509 -11.876 -4.281 298 2HB ASP 37 1HB ASP 37 9.390 -11.071 -2.718 299 HA PRO 38 HA PRO 38 5.491 -12.228 0.384 300 1HB PRO 38 2HB PRO 38 5.284 -14.720 1.489 301 2HB PRO 38 1HB PRO 38 4.233 -14.151 0.177 302 1HG PRO 38 2HG PRO 38 6.651 -15.882 0.026 303 2HG PRO 38 1HG PRO 38 5.090 -16.048 -0.797 304 1HD PRO 38 1HD PRO 38 7.261 -15.032 -2.025 305 2HD PRO 38 2HD PRO 38 5.609 -14.488 -2.390 306 H SER 39 H SER 39 8.313 -14.444 0.467 307 HA SER 39 HA SER 39 8.947 -14.136 3.250 308 1HB SER 39 2HB SER 39 10.735 -14.780 0.883 309 2HB SER 39 1HB SER 39 11.102 -15.129 2.571 310 HG SER 39 HG SER 39 9.536 -16.482 0.805 311 H GLN 40 H GLN 40 9.995 -12.224 0.411 312 HA GLN 40 HA GLN 40 11.906 -10.651 1.994 313 1HB GLN 40 2HB GLN 40 11.805 -11.313 -0.581 314 2HB GLN 40 1HB GLN 40 10.850 -9.834 -0.700 315 1HG GLN 40 2HG GLN 40 13.040 -9.063 -1.050 316 2HG GLN 40 1HG GLN 40 12.789 -8.746 0.665 317 1HE2 GLN 40 1HE2 GLN 40 14.131 -11.296 -1.524 318 2HE2 GLN 40 2HE2 GLN 40 15.309 -11.819 -0.420 319 H SER 41 H SER 41 8.528 -10.560 1.971 320 HA SER 41 HA SER 41 7.850 -7.872 1.506 321 1HB SER 41 2HB SER 41 5.883 -8.378 2.899 322 2HB SER 41 1HB SER 41 6.281 -9.754 1.880 323 HG SER 41 HG SER 41 6.693 -10.883 3.613 324 H ALA 42 H ALA 42 8.893 -9.246 4.727 325 HA ALA 42 HA ALA 42 8.708 -6.726 6.139 326 1HB ALA 42 3HB ALA 42 10.658 -9.016 6.422 327 2HB ALA 42 1HB ALA 42 9.082 -8.909 7.213 328 3HB ALA 42 2HB ALA 42 10.362 -7.769 7.634 329 H ASN 43 H ASN 43 11.444 -8.293 4.435 330 HA ASN 43 HA ASN 43 13.456 -6.306 4.748 331 1HB ASN 43 2HB ASN 43 12.764 -8.495 2.869 332 2HB ASN 43 1HB ASN 43 13.889 -7.279 2.253 333 1HD2 ASN 43 1HD2 ASN 43 15.760 -6.767 3.957 334 2HD2 ASN 43 2HD2 ASN 43 16.410 -8.113 4.759 335 H LEU 44 H LEU 44 10.777 -6.639 2.440 336 HA LEU 44 HA LEU 44 11.472 -4.470 0.706 337 1HB LEU 44 2HB LEU 44 8.966 -5.982 1.365 338 2HB LEU 44 1HB LEU 44 8.951 -4.644 0.210 339 HG LEU 44 HG LEU 44 10.867 -6.969 0.078 340 1HD1 LEU 44 2HD1 LEU 44 8.260 -7.248 -0.277 341 2HD1 LEU 44 1HD1 LEU 44 8.651 -6.578 -1.862 342 3HD1 LEU 44 3HD1 LEU 44 9.424 -8.070 -1.318 343 1HD2 LEU 44 3HD2 LEU 44 10.766 -4.360 -1.105 344 2HD2 LEU 44 2HD2 LEU 44 11.923 -5.681 -1.388 345 3HD2 LEU 44 1HD2 LEU 44 10.450 -5.586 -2.378 346 H LEU 45 H LEU 45 9.410 -4.680 3.616 347 HA LEU 45 HA LEU 45 8.747 -1.837 3.471 348 1HB LEU 45 2HB LEU 45 7.351 -3.257 4.747 349 2HB LEU 45 1HB LEU 45 8.707 -3.910 5.661 350 HG LEU 45 HG LEU 45 9.060 -1.815 6.776 351 1HD1 LEU 45 2HD1 LEU 45 7.059 -0.741 4.768 352 2HD1 LEU 45 1HD1 LEU 45 7.442 0.125 6.254 353 3HD1 LEU 45 3HD1 LEU 45 8.706 -0.178 5.059 354 1HD2 LEU 45 3HD2 LEU 45 7.227 -3.316 7.549 355 2HD2 LEU 45 2HD2 LEU 45 6.990 -1.626 8.001 356 3HD2 LEU 45 1HD2 LEU 45 6.083 -2.315 6.654 357 H ALA 46 H ALA 46 11.251 -3.773 5.184 358 HA ALA 46 HA ALA 46 12.590 -1.652 6.593 359 1HB ALA 46 1HB ALA 46 13.366 -4.266 5.287 360 2HB ALA 46 3HB ALA 46 14.624 -3.211 5.944 361 3HB ALA 46 2HB ALA 46 13.358 -3.842 7.008 362 H GLU 47 H GLU 47 13.155 -2.880 3.237 363 HA GLU 47 HA GLU 47 15.182 -0.915 2.654 364 1HB GLU 47 2HB GLU 47 14.923 -1.692 0.327 365 2HB GLU 47 1HB GLU 47 15.039 -3.047 1.436 366 1HG GLU 47 2HG GLU 47 12.603 -3.244 1.374 367 2HG GLU 47 1HG GLU 47 12.554 -1.948 0.193 368 H ALA 48 H ALA 48 11.601 -1.031 2.261 369 HA ALA 48 HA ALA 48 11.367 1.435 0.780 370 1HB ALA 48 1HB ALA 48 9.722 -0.495 1.343 371 2HB ALA 48 3HB ALA 48 9.462 0.355 2.869 372 3HB ALA 48 2HB ALA 48 9.070 1.140 1.321 373 H LYS 49 H LYS 49 11.522 0.634 4.249 374 HA LYS 49 HA LYS 49 11.084 3.316 5.252 375 1HB LYS 49 2HB LYS 49 11.885 0.597 6.186 376 2HB LYS 49 1HB LYS 49 12.227 1.931 7.272 377 1HG LYS 49 2HG LYS 49 9.960 2.547 7.438 378 2HG LYS 49 1HG LYS 49 9.539 1.729 5.933 379 1HD LYS 49 2HD LYS 49 8.695 0.287 7.557 380 2HD LYS 49 1HD LYS 49 10.262 -0.429 7.171 381 1HE LYS 49 2HE LYS 49 11.274 0.570 9.114 382 2HE LYS 49 1HE LYS 49 9.821 1.542 9.426 383 1HZ LYS 49 2HZ LYS 49 9.925 -1.439 9.402 384 2HZ LYS 49 1HZ LYS 49 9.853 -0.477 10.799 385 3HZ LYS 49 3HZ LYS 49 8.548 -0.492 9.717 386 H LYS 50 H LYS 50 13.803 1.288 4.382 387 HA LYS 50 HA LYS 50 16.023 2.922 5.193 388 1HB LYS 50 2HB LYS 50 16.409 0.637 4.703 389 2HB LYS 50 1HB LYS 50 15.381 0.689 3.289 390 1HG LYS 50 2HG LYS 50 17.295 2.326 2.393 391 2HG LYS 50 1HG LYS 50 18.259 1.402 3.547 392 1HD LYS 50 2HD LYS 50 16.437 0.067 1.511 393 2HD LYS 50 1HD LYS 50 18.135 0.426 1.177 394 1HE LYS 50 2HE LYS 50 17.471 -1.055 3.715 395 2HE LYS 50 1HE LYS 50 17.442 -1.940 2.179 396 1HZ LYS 50 3HZ LYS 50 19.662 -1.102 1.685 397 2HZ LYS 50 2HZ LYS 50 19.699 -0.258 3.163 398 3HZ LYS 50 1HZ LYS 50 19.666 -1.956 3.149 399 H LEU 51 H LEU 51 14.006 2.686 2.255 400 HA LEU 51 HA LEU 51 15.413 4.694 0.682 401 1HB LEU 51 2HB LEU 51 12.960 3.031 0.589 402 2HB LEU 51 1HB LEU 51 12.837 4.550 -0.280 403 HG LEU 51 HG LEU 51 14.259 3.866 -1.916 404 1HD1 LEU 51 3HD1 LEU 51 15.765 2.511 0.297 405 2HD1 LEU 51 2HD1 LEU 51 16.106 2.103 -1.386 406 3HD1 LEU 51 1HD1 LEU 51 16.330 3.763 -0.813 407 1HD2 LEU 51 1HD2 LEU 51 12.915 1.595 -0.697 408 2HD2 LEU 51 3HD2 LEU 51 13.023 2.072 -2.392 409 3HD2 LEU 51 2HD2 LEU 51 14.327 1.138 -1.658 410 H ASN 52 H ASN 52 12.657 4.661 2.889 411 HA ASN 52 HA ASN 52 11.595 7.236 2.450 412 1HB ASN 52 2HB ASN 52 10.684 5.303 3.801 413 2HB ASN 52 1HB ASN 52 11.819 5.741 5.075 414 1HD2 ASN 52 1HD2 ASN 52 11.185 7.380 6.497 415 2HD2 ASN 52 2HD2 ASN 52 9.821 8.365 6.273 416 H ASP 53 H ASP 53 14.185 6.153 4.679 417 HA ASP 53 HA ASP 53 14.739 8.839 5.722 418 1HB ASP 53 2HB ASP 53 16.300 6.232 5.825 419 2HB ASP 53 1HB ASP 53 16.644 7.657 6.800 420 H ALA 54 H ALA 54 16.243 6.697 3.279 421 HA ALA 54 HA ALA 54 18.537 8.359 2.692 422 1HB ALA 54 3HB ALA 54 17.037 6.345 0.981 423 2HB ALA 54 2HB ALA 54 18.695 6.882 0.722 424 3HB ALA 54 1HB ALA 54 18.288 5.940 2.156 425 H GLN 55 H GLN 55 15.280 8.106 1.242 426 HA GLN 55 HA GLN 55 15.798 10.305 -0.674 427 1HB GLN 55 2HB GLN 55 13.350 8.626 -0.053 428 2HB GLN 55 1HB GLN 55 13.495 9.742 -1.408 429 1HG GLN 55 2HG GLN 55 15.409 8.414 -2.281 430 2HG GLN 55 1HG GLN 55 15.217 7.272 -0.947 431 1HE2 GLN 55 1HE2 GLN 55 12.574 6.750 -0.769 432 2HE2 GLN 55 2HE2 GLN 55 11.932 6.198 -2.240 433 H ALA 56 H ALA 56 15.159 10.307 2.592 434 HA ALA 56 HA ALA 56 12.901 12.102 2.820 435 1HB ALA 56 2HB ALA 56 14.773 12.284 5.004 436 2HB ALA 56 1HB ALA 56 13.179 11.535 4.979 437 3HB ALA 56 3HB ALA 56 14.600 10.598 4.511 438 HA PRO 57 HA PRO 57 14.810 15.964 2.071 439 1HB PRO 57 2HB PRO 57 13.263 17.592 3.630 440 2HB PRO 57 1HB PRO 57 12.678 16.870 2.116 441 1HG PRO 57 2HG PRO 57 12.242 15.981 4.920 442 2HG PRO 57 1HG PRO 57 11.087 16.072 3.582 443 1HD PRO 57 1HD PRO 57 12.245 13.757 4.363 444 2HD PRO 57 2HD PRO 57 11.789 14.077 2.673 445 H LYS 58 H LYS 58 16.607 16.915 2.939 446 HA LYS 58 HA LYS 58 16.967 17.587 5.733 447 1HB LYS 58 2HB LYS 58 18.751 15.876 6.193 448 2HB LYS 58 1HB LYS 58 17.156 15.168 5.969 449 1HG LYS 58 2HG LYS 58 17.793 14.758 3.540 450 2HG LYS 58 1HG LYS 58 19.434 15.240 3.970 451 1HD LYS 58 2HD LYS 58 19.514 13.457 5.678 452 2HD LYS 58 1HD LYS 58 17.876 12.971 5.246 453 1HE LYS 58 2HE LYS 58 19.878 13.127 3.023 454 2HE LYS 58 1HE LYS 58 20.008 11.766 4.152 455 1HZ LYS 58 1HZ LYS 58 17.494 12.605 2.788 456 2HZ LYS 58 3HZ LYS 58 18.469 11.305 2.300 457 3HZ LYS 58 2HZ LYS 58 17.687 11.255 3.807 458 H1 VAL 1 1H VAL 1 -0.351 -13.497 -21.104 459 H2 VAL 1 3H VAL 1 0.977 -13.401 -22.159 460 H3 VAL 1 2H VAL 1 0.941 -14.587 -20.945 461 HA VAL 1 HA VAL 1 2.433 -12.850 -20.254 462 HB VAL 1 HB VAL 1 1.255 -11.225 -21.838 463 1HG1 VAL 1 3HG1 VAL 1 -1.044 -11.572 -20.878 464 2HG1 VAL 1 2HG1 VAL 1 -0.520 -10.709 -19.432 465 3HG1 VAL 1 1HG1 VAL 1 -0.571 -9.877 -20.985 466 1HG2 VAL 1 2HG2 VAL 1 3.049 -10.589 -20.194 467 2HG2 VAL 1 1HG2 VAL 1 1.937 -9.276 -20.577 468 3HG2 VAL 1 3HG2 VAL 1 1.779 -10.149 -19.052 469 H ASP 2 H ASP 2 2.564 -12.233 -18.007 470 HA ASP 2 HA ASP 2 0.601 -13.575 -16.260 471 1HB ASP 2 2HB ASP 2 3.157 -13.601 -16.062 472 2HB ASP 2 1HB ASP 2 3.046 -11.931 -15.525 473 H ASN 3 H ASN 3 -1.173 -12.508 -15.499 474 HA ASN 3 HA ASN 3 -1.319 -9.554 -15.626 475 1HB ASN 3 2HB ASN 3 -3.137 -11.184 -16.362 476 2HB ASN 3 1HB ASN 3 -3.376 -11.572 -14.659 477 1HD2 ASN 3 1HD2 ASN 3 -4.664 -10.123 -13.423 478 2HD2 ASN 3 2HD2 ASN 3 -5.254 -8.647 -14.016 479 H LYS 4 H LYS 4 0.253 -9.081 -13.942 480 HA LYS 4 HA LYS 4 -0.293 -9.995 -11.177 481 1HB LYS 4 2HB LYS 4 1.945 -9.097 -12.712 482 2HB LYS 4 1HB LYS 4 1.732 -7.953 -11.388 483 1HG LYS 4 2HG LYS 4 3.142 -9.674 -10.520 484 2HG LYS 4 1HG LYS 4 1.543 -9.988 -9.843 485 1HD LYS 4 2HD LYS 4 1.115 -11.647 -11.626 486 2HD LYS 4 1HD LYS 4 2.712 -11.335 -12.300 487 1HE LYS 4 2HE LYS 4 2.649 -12.033 -9.403 488 2HE LYS 4 1HE LYS 4 2.247 -13.338 -10.533 489 1HZ LYS 4 1HZ LYS 4 4.624 -11.563 -10.794 490 2HZ LYS 4 3HZ LYS 4 4.665 -13.125 -10.137 491 3HZ LYS 4 2HZ LYS 4 4.247 -12.905 -11.770 492 H PHE 5 H PHE 5 -1.236 -8.732 -9.598 493 HA PHE 5 HA PHE 5 -2.577 -6.238 -10.423 494 1HB PHE 5 2HB PHE 5 -2.683 -8.204 -8.162 495 2HB PHE 5 1HB PHE 5 -3.422 -6.627 -7.963 496 HD1 PHE 5 HD1 PHE 5 -5.420 -5.999 -9.177 497 HD2 PHE 5 HD2 PHE 5 -3.489 -9.762 -9.927 498 HE1 PHE 5 HE1 PHE 5 -7.399 -6.758 -10.454 499 HE2 PHE 5 HE2 PHE 5 -5.471 -10.519 -11.208 500 HZ PHE 5 HZ PHE 5 -7.426 -9.019 -11.472 501 H ASN 6 H ASN 6 0.507 -6.738 -9.229 502 HA ASN 6 HA ASN 6 0.700 -4.962 -7.010 503 1HB ASN 6 2HB ASN 6 3.154 -4.754 -7.839 504 2HB ASN 6 1HB ASN 6 2.570 -6.332 -7.345 505 1HD2 ASN 6 1HD2 ASN 6 3.715 -7.745 -8.722 506 2HD2 ASN 6 2HD2 ASN 6 3.733 -7.620 -10.415 507 H LYS 7 H LYS 7 0.803 -4.249 -10.464 508 HA LYS 7 HA LYS 7 1.535 -1.479 -10.276 509 1HB LYS 7 2HB LYS 7 1.506 -2.960 -12.334 510 2HB LYS 7 1HB LYS 7 -0.252 -2.816 -12.324 511 1HG LYS 7 2HG LYS 7 0.470 -1.129 -13.834 512 2HG LYS 7 1HG LYS 7 0.123 -0.264 -12.340 513 1HD LYS 7 2HD LYS 7 2.898 -1.292 -12.605 514 2HD LYS 7 1HD LYS 7 2.458 -0.005 -13.725 515 1HE LYS 7 2HE LYS 7 1.782 0.309 -10.801 516 2HE LYS 7 1HE LYS 7 3.430 0.635 -11.355 517 1HZ LYS 7 2HZ LYS 7 2.527 2.114 -13.057 518 2HZ LYS 7 1HZ LYS 7 0.948 1.821 -12.496 519 3HZ LYS 7 3HZ LYS 7 2.063 2.626 -11.503 520 H GLU 8 H GLU 8 -1.539 -3.144 -9.994 521 HA GLU 8 HA GLU 8 -3.227 -0.803 -10.017 522 1HB GLU 8 2HB GLU 8 -3.418 -3.697 -9.596 523 2HB GLU 8 1HB GLU 8 -4.539 -2.794 -8.573 524 1HG GLU 8 2HG GLU 8 -5.518 -1.703 -10.477 525 2HG GLU 8 1HG GLU 8 -4.266 -2.330 -11.550 526 H LEU 9 H LEU 9 -1.411 -2.428 -7.465 527 HA LEU 9 HA LEU 9 -2.743 -0.952 -5.314 528 1HB LEU 9 2HB LEU 9 -0.005 -2.156 -5.042 529 2HB LEU 9 1HB LEU 9 -1.271 -1.996 -3.878 530 HG LEU 9 HG LEU 9 -1.677 -3.794 -6.232 531 1HD1 LEU 9 1HD1 LEU 9 0.284 -4.095 -4.148 532 2HD1 LEU 9 3HD1 LEU 9 -0.996 -5.286 -3.893 533 3HD1 LEU 9 2HD1 LEU 9 -0.122 -5.250 -5.426 534 1HD2 LEU 9 1HD2 LEU 9 -3.603 -3.021 -4.785 535 2HD2 LEU 9 3HD2 LEU 9 -3.346 -4.777 -4.744 536 3HD2 LEU 9 2HD2 LEU 9 -2.790 -3.778 -3.404 537 H SER 10 H SER 10 -0.200 -0.348 -7.580 538 HA SER 10 HA SER 10 1.307 1.630 -6.134 539 1HB SER 10 2HB SER 10 2.454 1.199 -8.054 540 2HB SER 10 1HB SER 10 1.068 0.436 -8.779 541 HG SER 10 HG SER 10 1.566 3.240 -8.702 542 H VAL 11 H VAL 11 -1.415 1.792 -8.479 543 HA VAL 11 HA VAL 11 -1.875 4.670 -8.040 544 HB VAL 11 HB VAL 11 -3.562 2.607 -9.505 545 1HG1 VAL 11 3HG1 VAL 11 -3.371 5.605 -9.496 546 2HG1 VAL 11 2HG1 VAL 11 -3.896 4.770 -10.958 547 3HG1 VAL 11 1HG1 VAL 11 -4.805 4.578 -9.461 548 1HG2 VAL 11 3HG2 VAL 11 -1.149 4.180 -10.478 549 2HG2 VAL 11 2HG2 VAL 11 -1.275 2.422 -10.341 550 3HG2 VAL 11 1HG2 VAL 11 -2.248 3.290 -11.536 551 H ALA 12 H ALA 12 -3.866 1.705 -7.532 552 HA ALA 12 HA ALA 12 -5.941 2.968 -6.022 553 1HB ALA 12 2HB ALA 12 -5.844 0.675 -7.186 554 2HB ALA 12 3HB ALA 12 -6.698 0.769 -5.646 555 3HB ALA 12 1HB ALA 12 -5.058 0.096 -5.705 556 H GLY 13 H GLY 13 -3.205 1.045 -4.909 557 1HA GLY 13 1HA GLY 13 -2.088 0.949 -2.889 558 2HA GLY 13 2HA GLY 13 -3.658 1.244 -2.144 559 H ARG 14 H ARG 14 -1.330 3.156 -4.075 560 HA ARG 14 HA ARG 14 -0.632 4.819 -1.908 561 1HB ARG 14 2HB ARG 14 0.555 4.524 -4.117 562 2HB ARG 14 1HB ARG 14 -0.582 5.695 -4.792 563 1HG ARG 14 2HG ARG 14 1.582 6.710 -3.977 564 2HG ARG 14 1HG ARG 14 0.142 7.400 -3.244 565 1HD ARG 14 2HD ARG 14 0.641 6.557 -1.155 566 2HD ARG 14 1HD ARG 14 1.375 5.084 -1.813 567 HE ARG 14 HE ARG 14 3.402 6.339 -2.252 568 1HH1 ARG 14 1HH1 ARG 14 3.785 7.037 0.355 569 2HH1 ARG 14 2HH1 ARG 14 3.581 8.752 0.475 570 1HH2 ARG 14 1HH2 ARG 14 1.903 9.035 -2.566 571 2HH2 ARG 14 2HH2 ARG 14 2.507 9.890 -1.188 572 H GLU 15 H GLU 15 -3.305 5.332 -4.271 573 HA GLU 15 HA GLU 15 -3.957 8.010 -3.307 574 1HB GLU 15 2HB GLU 15 -5.432 5.866 -4.845 575 2HB GLU 15 1HB GLU 15 -6.161 7.433 -4.496 576 1HG GLU 15 2HG GLU 15 -4.232 8.540 -5.631 577 2HG GLU 15 1HG GLU 15 -3.590 6.950 -6.041 578 H ILE 16 H ILE 16 -5.177 4.740 -2.559 579 HA ILE 16 HA ILE 16 -7.228 5.332 -0.646 580 HB ILE 16 HB ILE 16 -5.313 3.017 -1.122 581 1HG1 ILE 16 2HG1 ILE 16 -8.306 3.198 -1.654 582 2HG1 ILE 16 1HG1 ILE 16 -7.099 3.627 -2.858 583 1HG2 ILE 16 3HG2 ILE 16 -7.451 3.335 0.948 584 2HG2 ILE 16 2HG2 ILE 16 -7.278 1.752 0.178 585 3HG2 ILE 16 1HG2 ILE 16 -5.915 2.474 1.044 586 1HD1 ILE 16 3HD1 ILE 16 -6.116 1.262 -2.374 587 2HD1 ILE 16 2HD1 ILE 16 -7.688 0.929 -1.650 588 3HD1 ILE 16 1HD1 ILE 16 -7.578 1.372 -3.352 589 H VAL 17 H VAL 17 -3.737 4.992 -0.344 590 HA VAL 17 HA VAL 17 -3.737 5.055 2.588 591 HB VAL 17 HB VAL 17 -2.346 3.757 0.859 592 1HG1 VAL 17 3HG1 VAL 17 -1.063 6.408 0.660 593 2HG1 VAL 17 2HG1 VAL 17 -0.107 4.942 0.472 594 3HG1 VAL 17 1HG1 VAL 17 -1.482 5.239 -0.582 595 1HG2 VAL 17 2HG2 VAL 17 -1.191 5.065 3.265 596 2HG2 VAL 17 1HG2 VAL 17 -1.822 3.412 3.084 597 3HG2 VAL 17 3HG2 VAL 17 -0.291 3.874 2.326 598 H THR 18 H THR 18 -3.494 7.495 0.036 599 HA THR 18 HA THR 18 -2.406 9.434 2.061 600 HB THR 18 HB THR 18 -1.434 10.629 0.156 601 HG1 THR 18 HG1 THR 18 -2.549 10.313 -1.607 602 1HG2 THR 18 3HG2 THR 18 -0.594 8.230 1.187 603 2HG2 THR 18 2HG2 THR 18 -0.572 7.919 -0.546 604 3HG2 THR 18 1HG2 THR 18 0.360 9.259 0.119 605 H LEU 19 H LEU 19 -5.458 8.801 0.721 606 HA LEU 19 HA LEU 19 -6.117 11.429 -0.273 607 1HB LEU 19 2HB LEU 19 -8.490 10.777 0.224 608 2HB LEU 19 1HB LEU 19 -7.592 9.654 -0.774 609 HG LEU 19 HG LEU 19 -7.406 9.031 2.087 610 1HD1 LEU 19 1HD1 LEU 19 -10.056 9.112 0.633 611 2HD1 LEU 19 3HD1 LEU 19 -9.785 8.200 2.121 612 3HD1 LEU 19 2HD1 LEU 19 -9.626 9.960 2.116 613 1HD2 LEU 19 2HD2 LEU 19 -8.086 7.624 -0.503 614 2HD2 LEU 19 1HD2 LEU 19 -6.717 7.345 0.565 615 3HD2 LEU 19 3HD2 LEU 19 -8.325 6.819 1.047 616 HA PRO 20 HA PRO 20 -5.855 14.062 3.120 617 1HB PRO 20 2HB PRO 20 -7.657 16.000 2.439 618 2HB PRO 20 1HB PRO 20 -6.095 15.770 1.632 619 1HG PRO 20 2HG PRO 20 -8.811 14.909 0.773 620 2HG PRO 20 1HG PRO 20 -7.477 15.569 -0.188 621 1HD PRO 20 1HD PRO 20 -8.097 12.914 -0.097 622 2HD PRO 20 2HD PRO 20 -6.455 13.533 -0.407 623 H ASN 21 H ASN 21 -9.296 13.180 2.501 624 HA ASN 21 HA ASN 21 -10.038 14.142 5.210 625 1HB ASN 21 2HB ASN 21 -11.613 12.792 3.015 626 2HB ASN 21 1HB ASN 21 -12.307 13.450 4.482 627 1HD2 ASN 21 1HD2 ASN 21 -13.271 14.451 2.123 628 2HD2 ASN 21 2HD2 ASN 21 -12.700 16.031 1.863 629 H LEU 22 H LEU 22 -8.486 11.362 4.382 630 HA LEU 22 HA LEU 22 -10.219 9.530 5.963 631 1HB LEU 22 2HB LEU 22 -9.076 9.127 3.668 632 2HB LEU 22 1HB LEU 22 -7.644 8.844 4.628 633 HG LEU 22 HG LEU 22 -8.994 7.150 5.944 634 1HD1 LEU 22 1HD1 LEU 22 -11.208 8.133 4.926 635 2HD1 LEU 22 3HD1 LEU 22 -10.836 7.085 3.559 636 3HD1 LEU 22 2HD1 LEU 22 -11.078 6.392 5.163 637 1HD2 LEU 22 3HD2 LEU 22 -7.533 6.959 3.602 638 2HD2 LEU 22 2HD2 LEU 22 -8.053 5.603 4.604 639 3HD2 LEU 22 1HD2 LEU 22 -9.018 6.092 3.210 640 H ASN 23 H ASN 23 -9.271 8.195 7.552 641 HA ASN 23 HA ASN 23 -6.955 9.425 9.028 642 1HB ASN 23 2HB ASN 23 -8.005 8.570 11.071 643 2HB ASN 23 1HB ASN 23 -9.158 9.541 10.170 644 1HD2 ASN 23 1HD2 ASN 23 -10.635 8.134 11.707 645 2HD2 ASN 23 2HD2 ASN 23 -11.182 6.664 11.064 646 H ASP 24 H ASP 24 -5.625 7.758 10.297 647 HA ASP 24 HA ASP 24 -4.493 5.874 8.576 648 1HB ASP 24 2HB ASP 24 -3.191 5.139 10.499 649 2HB ASP 24 1HB ASP 24 -3.364 6.887 10.486 650 HA PRO 25 HA PRO 25 -6.803 2.221 10.736 651 1HB PRO 25 2HB PRO 25 -9.412 2.673 11.462 652 2HB PRO 25 1HB PRO 25 -8.041 2.805 12.582 653 1HG PRO 25 2HG PRO 25 -9.501 4.951 11.121 654 2HG PRO 25 1HG PRO 25 -8.926 4.919 12.796 655 1HD PRO 25 1HD PRO 25 -7.604 6.237 10.860 656 2HD PRO 25 2HD PRO 25 -6.773 5.454 12.212 657 H GLN 26 H GLN 26 -8.897 4.546 8.858 658 HA GLN 26 HA GLN 26 -10.279 2.446 7.440 659 1HB GLN 26 2HB GLN 26 -9.981 5.415 7.261 660 2HB GLN 26 1HB GLN 26 -10.661 4.564 5.870 661 1HG GLN 26 2HG GLN 26 -12.623 4.309 6.949 662 2HG GLN 26 1HG GLN 26 -11.799 3.442 8.236 663 1HE2 GLN 26 1HE2 GLN 26 -11.750 6.941 7.273 664 2HE2 GLN 26 2HE2 GLN 26 -12.145 7.486 8.826 665 H LYS 27 H LYS 27 -7.499 4.553 6.409 666 HA LYS 27 HA LYS 27 -7.066 3.317 3.874 667 1HB LYS 27 2HB LYS 27 -4.592 3.918 4.352 668 2HB LYS 27 1HB LYS 27 -5.764 5.208 4.200 669 1HG LYS 27 2HG LYS 27 -5.893 5.039 6.817 670 2HG LYS 27 1HG LYS 27 -4.352 4.212 6.645 671 1HD LYS 27 2HD LYS 27 -3.807 6.513 6.912 672 2HD LYS 27 1HD LYS 27 -3.612 6.166 5.198 673 1HE LYS 27 2HE LYS 27 -6.082 6.991 4.962 674 2HE LYS 27 1HE LYS 27 -5.816 7.733 6.549 675 1HZ LYS 27 3HZ LYS 27 -3.825 8.800 5.685 676 2HZ LYS 27 2HZ LYS 27 -4.081 8.096 4.159 677 3HZ LYS 27 1HZ LYS 27 -5.178 9.241 4.764 678 H LYS 28 H LYS 28 -6.024 2.374 7.099 679 HA LYS 28 HA LYS 28 -4.346 0.161 6.478 680 1HB LYS 28 2HB LYS 28 -5.839 1.290 8.726 681 2HB LYS 28 1HB LYS 28 -5.970 -0.463 8.755 682 1HG LYS 28 2HG LYS 28 -3.326 0.813 8.306 683 2HG LYS 28 1HG LYS 28 -3.953 0.712 9.935 684 1HD LYS 28 2HD LYS 28 -3.917 -1.621 9.944 685 2HD LYS 28 1HD LYS 28 -3.975 -1.723 8.185 686 1HE LYS 28 2HE LYS 28 -1.729 -2.342 8.921 687 2HE LYS 28 1HE LYS 28 -1.642 -0.771 8.108 688 1HZ LYS 28 3HZ LYS 28 -1.998 -1.082 11.050 689 2HZ LYS 28 2HZ LYS 28 -0.482 -0.872 10.311 690 3HZ LYS 28 1HZ LYS 28 -1.658 0.349 10.201 691 H ALA 29 H ALA 29 -7.885 0.367 7.021 692 HA ALA 29 HA ALA 29 -8.582 -2.372 6.729 693 1HB ALA 29 1HB ALA 29 -10.823 -1.529 6.616 694 2HB ALA 29 3HB ALA 29 -9.926 -0.408 7.641 695 3HB ALA 29 2HB ALA 29 -10.278 0.017 5.966 696 H PHE 30 H PHE 30 -8.755 0.228 4.144 697 HA PHE 30 HA PHE 30 -9.405 -1.882 2.215 698 1HB PHE 30 2HB PHE 30 -8.573 0.427 0.766 699 2HB PHE 30 1HB PHE 30 -10.164 -0.273 0.896 700 HD1 PHE 30 HD1 PHE 30 -11.914 0.874 2.060 701 HD2 PHE 30 HD2 PHE 30 -7.831 2.125 2.438 702 HE1 PHE 30 HE1 PHE 30 -12.661 2.981 3.059 703 HE2 PHE 30 HE2 PHE 30 -8.596 4.237 3.465 704 HZ PHE 30 HZ PHE 30 -11.008 4.677 3.779 705 H ILE 31 H ILE 31 -6.351 -0.179 3.100 706 HA ILE 31 HA ILE 31 -4.876 -1.047 0.802 707 HB ILE 31 HB ILE 31 -4.037 -0.445 3.651 708 1HG1 ILE 31 2HG1 ILE 31 -4.190 1.056 1.087 709 2HG1 ILE 31 1HG1 ILE 31 -4.145 1.673 2.751 710 1HG2 ILE 31 2HG2 ILE 31 -2.579 -2.272 2.473 711 2HG2 ILE 31 1HG2 ILE 31 -2.052 -0.957 1.403 712 3HG2 ILE 31 3HG2 ILE 31 -1.755 -0.876 3.140 713 1HD1 ILE 31 1HD1 ILE 31 -1.748 0.576 1.301 714 2HD1 ILE 31 3HD1 ILE 31 -2.178 2.272 1.319 715 3HD1 ILE 31 2HD1 ILE 31 -1.777 1.476 2.834 716 H PHE 32 H PHE 32 -5.238 -2.639 4.021 717 HA PHE 32 HA PHE 32 -3.727 -4.974 3.378 718 1HB PHE 32 2HB PHE 32 -5.721 -4.161 5.460 719 2HB PHE 32 1HB PHE 32 -5.360 -5.882 5.318 720 HD1 PHE 32 HD1 PHE 32 -3.408 -2.579 5.258 721 HD2 PHE 32 HD2 PHE 32 -3.545 -6.720 6.681 722 HE1 PHE 32 HE1 PHE 32 -1.276 -2.323 6.428 723 HE2 PHE 32 HE2 PHE 32 -1.415 -6.347 7.794 724 HZ PHE 32 HZ PHE 32 -0.281 -4.212 7.635 725 H SER 33 H SER 33 -7.234 -4.291 2.903 726 HA SER 33 HA SER 33 -7.798 -6.962 1.823 727 1HB SER 33 2HB SER 33 -9.966 -5.948 1.240 728 2HB SER 33 1HB SER 33 -9.511 -5.504 2.877 729 HG SER 33 HG SER 33 -10.264 -3.738 1.585 730 H LEU 34 H LEU 34 -6.730 -3.856 0.500 731 HA LEU 34 HA LEU 34 -7.087 -4.369 -2.325 732 1HB LEU 34 2HB LEU 34 -6.794 -2.135 -1.556 733 2HB LEU 34 1HB LEU 34 -5.397 -2.539 -0.592 734 HG LEU 34 HG LEU 34 -4.316 -3.056 -2.903 735 1HD1 LEU 34 3HD1 LEU 34 -6.683 -2.684 -3.991 736 2HD1 LEU 34 2HD1 LEU 34 -6.270 -0.971 -3.863 737 3HD1 LEU 34 1HD1 LEU 34 -5.253 -2.060 -4.811 738 1HD2 LEU 34 2HD2 LEU 34 -3.835 -1.127 -1.275 739 2HD2 LEU 34 1HD2 LEU 34 -3.475 -0.808 -2.974 740 3HD2 LEU 34 3HD2 LEU 34 -4.949 -0.172 -2.257 741 H TRP 35 H TRP 35 -4.437 -4.981 -0.021 742 HA TRP 35 HA TRP 35 -2.519 -5.985 -1.938 743 1HB TRP 35 2HB TRP 35 -2.015 -5.134 0.337 744 2HB TRP 35 1HB TRP 35 -2.832 -6.539 1.026 745 HD1 TRP 35 HD1 TRP 35 -1.427 -8.698 1.244 746 HE1 TRP 35 HE1 TRP 35 0.837 -9.471 0.355 747 HE3 TRP 35 HE3 TRP 35 -0.327 -4.801 -1.813 748 HZ2 TRP 35 HZ2 TRP 35 2.894 -8.527 -1.396 749 HZ3 TRP 35 HZ3 TRP 35 1.783 -4.767 -3.080 750 HH2 TRP 35 HH2 TRP 35 3.386 -6.601 -2.871 751 H ASP 36 H ASP 36 -4.787 -7.633 0.317 752 HA ASP 36 HA ASP 36 -4.095 -10.321 -0.482 753 1HB ASP 36 2HB ASP 36 -5.334 -9.200 1.638 754 2HB ASP 36 1HB ASP 36 -6.758 -9.664 0.712 755 H ASP 37 H ASP 37 -6.763 -8.101 -1.338 756 HA ASP 37 HA ASP 37 -7.376 -9.884 -3.632 757 1HB ASP 37 2HB ASP 37 -9.226 -8.552 -1.637 758 2HB ASP 37 1HB ASP 37 -9.804 -9.239 -3.154 759 HA PRO 38 HA PRO 38 -6.656 -5.485 -5.047 760 1HB PRO 38 2HB PRO 38 -5.073 -6.146 -7.161 761 2HB PRO 38 1HB PRO 38 -4.452 -5.835 -5.533 762 1HG PRO 38 2HG PRO 38 -5.038 -8.454 -6.852 763 2HG PRO 38 1HG PRO 38 -3.632 -7.979 -5.885 764 1HD PRO 38 1HD PRO 38 -5.616 -9.444 -4.839 765 2HD PRO 38 2HD PRO 38 -4.755 -8.211 -3.883 766 H SER 39 H SER 39 -8.224 -8.303 -6.195 767 HA SER 39 HA SER 39 -8.914 -7.632 -8.900 768 1HB SER 39 2HB SER 39 -9.454 -9.651 -7.105 769 2HB SER 39 1HB SER 39 -11.009 -8.830 -7.170 770 HG SER 39 HG SER 39 -9.565 -10.129 -9.199 771 H GLN 40 H GLN 40 -10.147 -6.622 -5.733 772 HA GLN 40 HA GLN 40 -12.239 -4.842 -6.878 773 1HB GLN 40 2HB GLN 40 -11.393 -5.058 -3.984 774 2HB GLN 40 1HB GLN 40 -12.975 -4.632 -4.627 775 1HG GLN 40 2HG GLN 40 -12.846 -7.099 -5.615 776 2HG GLN 40 1HG GLN 40 -11.702 -7.308 -4.286 777 1HE2 GLN 40 1HE2 GLN 40 -12.831 -5.769 -2.242 778 2HE2 GLN 40 2HE2 GLN 40 -14.372 -6.365 -1.852 779 H SER 41 H SER 41 -9.067 -4.425 -7.007 780 HA SER 41 HA SER 41 -8.186 -2.313 -5.389 781 1HB SER 41 2HB SER 41 -6.824 -3.606 -6.893 782 2HB SER 41 1HB SER 41 -7.659 -2.932 -8.286 783 HG SER 41 HG SER 41 -6.236 -1.398 -8.190 784 H ALA 42 H ALA 42 -10.022 -2.064 -8.488 785 HA ALA 42 HA ALA 42 -10.030 0.831 -8.630 786 1HB ALA 42 1HB ALA 42 -11.993 -1.264 -9.658 787 2HB ALA 42 3HB ALA 42 -11.930 0.412 -10.201 788 3HB ALA 42 2HB ALA 42 -10.576 -0.669 -10.526 789 H ASN 43 H ASN 43 -12.296 -1.571 -7.251 790 HA ASN 43 HA ASN 43 -14.226 0.260 -6.201 791 1HB ASN 43 2HB ASN 43 -14.507 -2.208 -6.612 792 2HB ASN 43 1HB ASN 43 -13.455 -2.512 -5.231 793 1HD2 ASN 43 1HD2 ASN 43 -16.560 -0.878 -6.089 794 2HD2 ASN 43 2HD2 ASN 43 -17.251 -1.076 -4.552 795 H LEU 44 H LEU 44 -11.138 -1.020 -4.944 796 HA LEU 44 HA LEU 44 -11.461 -0.116 -2.197 797 1HB LEU 44 2HB LEU 44 -9.309 -1.135 -4.013 798 2HB LEU 44 1HB LEU 44 -8.827 -0.398 -2.484 799 HG LEU 44 HG LEU 44 -11.080 -2.316 -2.343 800 1HD1 LEU 44 2HD1 LEU 44 -8.605 -3.039 -3.650 801 2HD1 LEU 44 1HD1 LEU 44 -8.744 -3.891 -2.108 802 3HD1 LEU 44 3HD1 LEU 44 -10.019 -4.051 -3.318 803 1HD2 LEU 44 1HD2 LEU 44 -8.803 -1.274 -0.724 804 2HD2 LEU 44 3HD2 LEU 44 -10.482 -1.598 -0.258 805 3HD2 LEU 44 2HD2 LEU 44 -9.328 -2.932 -0.386 806 H LEU 45 H LEU 45 -9.707 1.104 -4.960 807 HA LEU 45 HA LEU 45 -8.641 3.534 -3.994 808 1HB LEU 45 2HB LEU 45 -8.220 2.304 -6.181 809 2HB LEU 45 1HB LEU 45 -9.785 2.868 -6.741 810 HG LEU 45 HG LEU 45 -7.586 4.147 -7.395 811 1HD1 LEU 45 3HD1 LEU 45 -9.986 4.764 -7.872 812 2HD1 LEU 45 2HD1 LEU 45 -9.964 5.722 -6.392 813 3HD1 LEU 45 1HD1 LEU 45 -8.882 6.132 -7.725 814 1HD2 LEU 45 1HD2 LEU 45 -6.805 4.421 -5.065 815 2HD2 LEU 45 3HD2 LEU 45 -7.051 5.973 -5.866 816 3HD2 LEU 45 2HD2 LEU 45 -8.239 5.390 -4.707 817 H ALA 46 H ALA 46 -11.795 2.743 -5.447 818 HA ALA 46 HA ALA 46 -12.973 5.387 -5.312 819 1HB ALA 46 1HB ALA 46 -13.768 3.639 -6.813 820 2HB ALA 46 3HB ALA 46 -14.065 2.564 -5.446 821 3HB ALA 46 2HB ALA 46 -15.056 4.009 -5.665 822 H GLU 47 H GLU 47 -13.190 2.456 -3.235 823 HA GLU 47 HA GLU 47 -14.979 3.401 -1.267 824 1HB GLU 47 2HB GLU 47 -14.101 1.045 -1.611 825 2HB GLU 47 1HB GLU 47 -12.584 1.558 -0.867 826 1HG GLU 47 2HG GLU 47 -14.079 0.463 0.783 827 2HG GLU 47 1HG GLU 47 -13.785 2.149 1.202 828 H ALA 48 H ALA 48 -11.494 3.804 -1.589 829 HA ALA 48 HA ALA 48 -10.931 5.000 0.962 830 1HB ALA 48 2HB ALA 48 -8.959 4.431 -0.047 831 2HB ALA 48 3HB ALA 48 -9.065 5.999 -0.849 832 3HB ALA 48 1HB ALA 48 -9.651 4.532 -1.672 833 H LYS 49 H LYS 49 -11.460 6.463 -2.277 834 HA LYS 49 HA LYS 49 -11.492 9.214 -1.402 835 1HB LYS 49 2HB LYS 49 -12.689 7.800 -3.813 836 2HB LYS 49 1HB LYS 49 -12.507 9.550 -3.675 837 1HG LYS 49 2HG LYS 49 -10.057 9.263 -3.400 838 2HG LYS 49 1HG LYS 49 -10.247 7.522 -3.591 839 1HD LYS 49 2HD LYS 49 -11.355 8.033 -5.840 840 2HD LYS 49 1HD LYS 49 -10.759 9.680 -5.647 841 1HE LYS 49 2HE LYS 49 -8.919 7.272 -5.442 842 2HE LYS 49 1HE LYS 49 -9.230 8.100 -6.977 843 1HZ LYS 49 1HZ LYS 49 -8.631 10.220 -5.824 844 2HZ LYS 49 3HZ LYS 49 -8.123 9.300 -4.489 845 3HZ LYS 49 2HZ LYS 49 -7.339 9.129 -5.985 846 H LYS 50 H LYS 50 -14.150 6.886 -2.033 847 HA LYS 50 HA LYS 50 -16.377 8.608 -1.487 848 1HB LYS 50 2HB LYS 50 -15.891 5.623 -1.269 849 2HB LYS 50 1HB LYS 50 -17.476 6.335 -0.974 850 1HG LYS 50 2HG LYS 50 -17.709 7.057 -3.205 851 2HG LYS 50 1HG LYS 50 -15.980 6.931 -3.523 852 1HD LYS 50 2HD LYS 50 -17.163 5.071 -4.601 853 2HD LYS 50 1HD LYS 50 -16.131 4.463 -3.311 854 1HE LYS 50 2HE LYS 50 -18.793 5.122 -2.298 855 2HE LYS 50 1HE LYS 50 -18.868 3.932 -3.610 856 1HZ LYS 50 3HZ LYS 50 -17.081 2.682 -2.490 857 2HZ LYS 50 2HZ LYS 50 -17.123 3.784 -1.198 858 3HZ LYS 50 1HZ LYS 50 -18.469 2.804 -1.524 859 H LEU 51 H LEU 51 -14.504 6.438 0.659 860 HA LEU 51 HA LEU 51 -16.052 6.881 3.041 861 1HB LEU 51 2HB LEU 51 -14.428 5.010 2.444 862 2HB LEU 51 1HB LEU 51 -13.111 6.113 2.837 863 HG LEU 51 HG LEU 51 -15.384 5.502 4.737 864 1HD1 LEU 51 3HD1 LEU 51 -14.013 3.453 4.004 865 2HD1 LEU 51 2HD1 LEU 51 -12.674 4.202 4.875 866 3HD1 LEU 51 1HD1 LEU 51 -14.146 3.760 5.736 867 1HD2 LEU 51 1HD2 LEU 51 -13.001 7.175 4.816 868 2HD2 LEU 51 3HD2 LEU 51 -14.428 7.209 5.844 869 3HD2 LEU 51 2HD2 LEU 51 -13.114 6.084 6.191 870 H ASN 52 H ASN 52 -13.184 8.594 1.712 871 HA ASN 52 HA ASN 52 -12.520 10.201 3.965 872 1HB ASN 52 2HB ASN 52 -11.037 11.020 2.458 873 2HB ASN 52 1HB ASN 52 -11.687 9.830 1.359 874 1HD2 ASN 52 1HD2 ASN 52 -10.508 12.629 0.928 875 2HD2 ASN 52 2HD2 ASN 52 -11.671 13.440 -0.003 876 H ASP 53 H ASP 53 -15.155 10.512 1.619 877 HA ASP 53 HA ASP 53 -15.972 13.192 2.182 878 1HB ASP 53 2HB ASP 53 -16.561 11.582 0.258 879 2HB ASP 53 1HB ASP 53 -17.752 10.890 1.362 880 H ALA 54 H ALA 54 -16.653 10.093 3.804 881 HA ALA 54 HA ALA 54 -18.995 10.868 5.279 882 1HB ALA 54 3HB ALA 54 -17.812 8.593 4.805 883 2HB ALA 54 2HB ALA 54 -16.879 8.960 6.258 884 3HB ALA 54 1HB ALA 54 -18.634 8.805 6.353 885 H GLN 55 H GLN 55 -15.540 11.353 5.910 886 HA GLN 55 HA GLN 55 -16.034 12.460 8.621 887 1HB GLN 55 2HB GLN 55 -13.649 11.771 6.898 888 2HB GLN 55 1HB GLN 55 -13.456 12.583 8.439 889 1HG GLN 55 2HG GLN 55 -14.467 10.754 9.633 890 2HG GLN 55 1HG GLN 55 -14.975 9.987 8.124 891 1HE2 GLN 55 1HE2 GLN 55 -12.824 9.957 6.530 892 2HE2 GLN 55 2HE2 GLN 55 -11.501 9.182 7.263 893 H ALA 56 H ALA 56 -14.869 13.514 5.401 894 HA ALA 56 HA ALA 56 -15.430 16.359 6.145 895 1HB ALA 56 1HB ALA 56 -13.146 16.351 6.496 896 2HB ALA 56 2HB ALA 56 -13.150 16.620 4.752 897 3HB ALA 56 3HB ALA 56 -12.890 14.999 5.396 898 HA PRO 57 HA PRO 57 -17.097 16.426 2.017 899 1HB PRO 57 2HB PRO 57 -16.852 19.078 1.394 900 2HB PRO 57 1HB PRO 57 -18.065 18.462 2.533 901 1HG PRO 57 2HG PRO 57 -15.454 19.773 3.076 902 2HG PRO 57 1HG PRO 57 -17.001 19.955 3.915 903 1HD PRO 57 1HD PRO 57 -14.941 18.437 4.860 904 2HD PRO 57 2HD PRO 57 -16.649 18.115 5.232 905 H LYS 58 H LYS 58 -16.326 16.295 -0.129 906 HA LYS 58 HA LYS 58 -13.438 16.188 -0.536 907 1HB LYS 58 2HB LYS 58 -15.858 15.913 -2.345 908 2HB LYS 58 1HB LYS 58 -14.207 15.698 -2.925 909 1HG LYS 58 2HG LYS 58 -13.860 13.918 -1.227 910 2HG LYS 58 1HG LYS 58 -15.535 14.105 -0.709 911 1HD LYS 58 2HD LYS 58 -16.251 13.599 -3.068 912 2HD LYS 58 1HD LYS 58 -14.568 13.236 -3.446 913 1HE LYS 58 2HE LYS 58 -14.898 11.126 -2.687 914 2HE LYS 58 1HE LYS 58 -15.201 11.789 -1.072 915 1HZ LYS 58 2HZ LYS 58 -17.508 12.274 -1.813 916 2HZ LYS 58 1HZ LYS 58 -17.189 11.429 -3.253 917 3HZ LYS 58 3HZ LYS 58 -17.149 10.615 -1.768 No H/Q in entry = 917 Start of MODEL 37 1 H1 VAL 1 2H VAL 1 -3.874 -21.994 10.509 2 H2 VAL 1 1H VAL 1 -3.014 -23.382 10.043 3 H3 VAL 1 3H VAL 1 -3.541 -23.208 11.646 4 HA VAL 1 HA VAL 1 -2.009 -21.456 12.084 5 HB VAL 1 HB VAL 1 -0.857 -23.803 10.521 6 1HG1 VAL 1 1HG1 VAL 1 0.528 -21.739 12.255 7 2HG1 VAL 1 3HG1 VAL 1 1.237 -23.311 11.889 8 3HG1 VAL 1 2HG1 VAL 1 0.903 -22.171 10.587 9 1HG2 VAL 1 1HG2 VAL 1 -1.400 -23.266 13.456 10 2HG2 VAL 1 3HG2 VAL 1 -2.058 -24.560 12.455 11 3HG2 VAL 1 2HG2 VAL 1 -0.355 -24.574 12.907 12 H ASP 2 H ASP 2 -1.807 -19.453 11.145 13 HA ASP 2 HA ASP 2 -1.246 -19.203 8.227 14 1HB ASP 2 2HB ASP 2 -3.113 -17.958 9.318 15 2HB ASP 2 1HB ASP 2 -1.941 -17.138 10.346 16 H ASN 3 H ASN 3 0.714 -18.486 7.459 17 HA ASN 3 HA ASN 3 2.997 -18.249 9.288 18 1HB ASN 3 2HB ASN 3 4.279 -18.075 7.196 19 2HB ASN 3 1HB ASN 3 3.101 -19.375 7.071 20 1HD2 ASN 3 1HD2 ASN 3 1.527 -19.216 5.383 21 2HD2 ASN 3 2HD2 ASN 3 1.400 -17.879 4.347 22 H LYS 4 H LYS 4 4.466 -16.335 9.286 23 HA LYS 4 HA LYS 4 3.084 -13.867 9.781 24 1HB LYS 4 2HB LYS 4 5.324 -12.938 10.082 25 2HB LYS 4 1HB LYS 4 5.247 -14.539 10.811 26 1HG LYS 4 2HG LYS 4 6.368 -15.499 8.837 27 2HG LYS 4 1HG LYS 4 6.401 -13.912 8.073 28 1HD LYS 4 2HD LYS 4 7.541 -13.968 10.797 29 2HD LYS 4 1HD LYS 4 8.429 -14.928 9.614 30 1HE LYS 4 2HE LYS 4 9.428 -12.933 9.076 31 2HE LYS 4 1HE LYS 4 7.929 -12.613 8.186 32 1HZ LYS 4 2HZ LYS 4 6.979 -11.694 10.250 33 2HZ LYS 4 1HZ LYS 4 8.476 -11.903 11.027 34 3HZ LYS 4 3HZ LYS 4 8.338 -10.821 9.729 35 H PHE 5 H PHE 5 4.851 -14.990 6.876 36 HA PHE 5 HA PHE 5 5.076 -12.579 5.458 37 1HB PHE 5 2HB PHE 5 4.528 -15.379 4.444 38 2HB PHE 5 1HB PHE 5 5.067 -14.050 3.431 39 HD1 PHE 5 HD1 PHE 5 6.600 -16.558 3.598 40 HD2 PHE 5 HD2 PHE 5 6.819 -13.053 6.089 41 HE1 PHE 5 HE1 PHE 5 8.951 -17.099 4.164 42 HE2 PHE 5 HE2 PHE 5 9.169 -13.601 6.641 43 HZ PHE 5 HZ PHE 5 10.236 -15.621 5.683 44 H ASN 6 H ASN 6 2.145 -14.520 5.956 45 HA ASN 6 HA ASN 6 0.457 -13.635 3.882 46 1HB ASN 6 2HB ASN 6 -0.025 -15.312 5.692 47 2HB ASN 6 1HB ASN 6 -0.222 -13.979 6.828 48 1HD2 ASN 6 1HD2 ASN 6 -1.592 -15.315 3.776 49 2HD2 ASN 6 2HD2 ASN 6 -3.133 -14.642 4.003 50 H LYS 7 H LYS 7 0.817 -12.029 7.123 51 HA LYS 7 HA LYS 7 -0.349 -9.558 5.951 52 1HB LYS 7 2HB LYS 7 -1.339 -10.066 8.018 53 2HB LYS 7 1HB LYS 7 0.234 -10.476 8.760 54 1HG LYS 7 2HG LYS 7 0.882 -8.064 8.508 55 2HG LYS 7 1HG LYS 7 -0.750 -7.729 7.923 56 1HD LYS 7 2HD LYS 7 -1.704 -8.497 9.990 57 2HD LYS 7 1HD LYS 7 -0.111 -9.032 10.558 58 1HE LYS 7 2HE LYS 7 -0.543 -6.138 9.784 59 2HE LYS 7 1HE LYS 7 -1.017 -6.704 11.395 60 1HZ LYS 7 2HZ LYS 7 1.220 -7.645 11.666 61 2HZ LYS 7 1HZ LYS 7 1.673 -7.023 10.150 62 3HZ LYS 7 3HZ LYS 7 1.281 -5.968 11.417 63 H GLU 8 H GLU 8 2.847 -10.789 6.843 64 HA GLU 8 HA GLU 8 4.143 -8.280 7.327 65 1HB GLU 8 2HB GLU 8 5.119 -10.860 6.071 66 2HB GLU 8 1HB GLU 8 6.169 -9.473 6.361 67 1HG GLU 8 2HG GLU 8 4.531 -10.826 8.520 68 2HG GLU 8 1HG GLU 8 6.238 -11.168 8.194 69 H GLN 9 H GLN 9 3.320 -10.024 4.331 70 HA GLN 9 HA GLN 9 4.419 -8.142 2.470 71 1HB GLN 9 2HB GLN 9 2.105 -10.098 2.325 72 2HB GLN 9 1HB GLN 9 2.700 -9.205 0.931 73 1HG GLN 9 2HG GLN 9 4.877 -10.272 1.115 74 2HG GLN 9 1HG GLN 9 4.383 -11.096 2.596 75 1HE2 GLN 9 1HE2 GLN 9 4.022 -11.084 -0.929 76 2HE2 GLN 9 2HE2 GLN 9 3.162 -12.544 -1.021 77 H GLN 10 H GLN 10 1.360 -8.510 4.150 78 HA GLN 10 HA GLN 10 -0.175 -6.366 2.999 79 1HB GLN 10 2HB GLN 10 -0.809 -8.451 4.361 80 2HB GLN 10 1HB GLN 10 -0.361 -7.508 5.767 81 1HG GLN 10 2HG GLN 10 -2.781 -7.414 5.165 82 2HG GLN 10 1HG GLN 10 -1.954 -5.865 5.272 83 1HE2 GLN 10 1HE2 GLN 10 -1.651 -4.611 3.407 84 2HE2 GLN 10 2HE2 GLN 10 -2.434 -4.975 1.963 85 H ASN 11 H ASN 11 1.630 -6.532 6.061 86 HA ASN 11 HA ASN 11 1.188 -3.778 6.780 87 1HB ASN 11 2HB ASN 11 1.916 -5.820 8.209 88 2HB ASN 11 1HB ASN 11 3.542 -5.560 7.567 89 1HD2 ASN 11 1HD2 ASN 11 4.783 -3.848 8.478 90 2HD2 ASN 11 2HD2 ASN 11 4.193 -2.796 9.673 91 H ALA 12 H ALA 12 3.840 -5.537 5.100 92 HA ALA 12 HA ALA 12 5.624 -3.299 4.787 93 1HB ALA 12 3HB ALA 12 5.207 -5.939 3.372 94 2HB ALA 12 1HB ALA 12 6.503 -5.488 4.490 95 3HB ALA 12 2HB ALA 12 6.459 -4.798 2.863 96 H PHE 13 H PHE 13 3.106 -4.708 2.652 97 HA PHE 13 HA PHE 13 3.379 -2.924 0.420 98 1HB PHE 13 2HB PHE 13 1.963 -4.904 0.245 99 2HB PHE 13 1HB PHE 13 1.027 -4.434 1.658 100 HD1 PHE 13 HD1 PHE 13 -1.123 -3.667 1.154 101 HD2 PHE 13 HD2 PHE 13 2.119 -2.784 -1.501 102 HE1 PHE 13 HE1 PHE 13 -2.679 -2.499 -0.347 103 HE2 PHE 13 HE2 PHE 13 0.560 -1.608 -3.008 104 HZ PHE 13 HZ PHE 13 -1.838 -1.471 -2.424 105 H TYR 14 H TYR 14 1.147 -2.889 3.151 106 HA TYR 14 HA TYR 14 -0.128 -0.427 2.910 107 1HB TYR 14 2HB TYR 14 -0.620 -2.234 4.470 108 2HB TYR 14 1HB TYR 14 0.904 -1.969 5.306 109 HD1 TYR 14 HD1 TYR 14 1.064 -0.429 7.041 110 HD2 TYR 14 HD2 TYR 14 -2.303 -0.309 4.388 111 HE1 TYR 14 HE1 TYR 14 -0.027 1.233 8.503 112 HE2 TYR 14 HE2 TYR 14 -3.395 1.306 5.822 113 HH TYR 14 HH TYR 14 -1.882 3.147 8.022 114 H GLU 15 H GLU 15 2.840 -1.069 4.850 115 HA GLU 15 HA GLU 15 3.398 1.652 5.513 116 1HB GLU 15 2HB GLU 15 5.097 -0.846 5.316 117 2HB GLU 15 1HB GLU 15 5.705 0.677 5.956 118 1HG GLU 15 2HG GLU 15 3.291 -0.816 7.045 119 2HG GLU 15 1HG GLU 15 4.896 -0.840 7.763 120 H ILE 16 H ILE 16 4.631 -0.368 2.746 121 HA ILE 16 HA ILE 16 6.433 1.522 1.592 122 HB ILE 16 HB ILE 16 4.725 -0.754 0.643 123 1HG1 ILE 16 2HG1 ILE 16 7.487 -0.412 -0.316 124 2HG1 ILE 16 1HG1 ILE 16 7.342 -0.381 1.436 125 1HG2 ILE 16 2HG2 ILE 16 5.923 1.246 -1.286 126 2HG2 ILE 16 1HG2 ILE 16 5.508 -0.411 -1.737 127 3HG2 ILE 16 3HG2 ILE 16 4.247 0.703 -1.204 128 1HD1 ILE 16 2HD1 ILE 16 5.779 -2.488 0.071 129 2HD1 ILE 16 1HD1 ILE 16 7.550 -2.662 -0.006 130 3HD1 ILE 16 3HD1 ILE 16 6.736 -2.558 1.557 131 H LEU 17 H LEU 17 2.918 1.214 1.187 132 HA LEU 17 HA LEU 17 2.538 3.517 -0.549 133 1HB LEU 17 2HB LEU 17 0.664 2.102 1.379 134 2HB LEU 17 1HB LEU 17 0.163 3.178 0.082 135 HG LEU 17 HG LEU 17 1.946 1.019 -0.791 136 1HD1 LEU 17 1HD1 LEU 17 0.083 0.225 1.043 137 2HD1 LEU 17 3HD1 LEU 17 -0.829 0.140 -0.475 138 3HD1 LEU 17 2HD1 LEU 17 0.670 -0.763 -0.295 139 1HD2 LEU 17 2HD2 LEU 17 0.471 2.713 -2.123 140 2HD2 LEU 17 1HD2 LEU 17 0.574 1.017 -2.650 141 3HD2 LEU 17 3HD2 LEU 17 -0.828 1.551 -1.706 142 H HIS 18 H HIS 18 2.305 3.072 3.012 143 HA HIS 18 HA HIS 18 1.383 5.753 3.577 144 1HB HIS 18 2HB HIS 18 2.549 3.473 5.176 145 2HB HIS 18 1HB HIS 18 2.271 5.035 5.936 146 HD1 HIS 18 HD1 HIS 18 -0.284 5.950 5.867 147 HD2 HIS 18 HD2 HIS 18 0.195 1.926 4.890 148 HE1 HIS 18 HE1 HIS 18 -2.581 4.797 5.886 149 H LEU 19 H LEU 19 4.646 4.428 3.061 150 HA LEU 19 HA LEU 19 6.232 6.317 4.485 151 1HB LEU 19 2HB LEU 19 6.662 4.800 1.895 152 2HB LEU 19 1HB LEU 19 7.925 5.783 2.621 153 HG LEU 19 HG LEU 19 6.532 3.479 4.022 154 1HD1 LEU 19 3HD1 LEU 19 9.153 3.670 2.533 155 2HD1 LEU 19 2HD1 LEU 19 8.801 2.378 3.683 156 3HD1 LEU 19 1HD1 LEU 19 7.820 2.558 2.231 157 1HD2 LEU 19 1HD2 LEU 19 8.962 5.137 4.747 158 2HD2 LEU 19 3HD2 LEU 19 7.432 5.082 5.620 159 3HD2 LEU 19 2HD2 LEU 19 8.484 3.663 5.586 160 HA PRO 20 HA PRO 20 4.949 9.966 2.180 161 1HB PRO 20 2HB PRO 20 6.521 11.750 3.543 162 2HB PRO 20 1HB PRO 20 4.985 11.118 4.167 163 1HG PRO 20 2HG PRO 20 7.772 10.255 4.786 164 2HG PRO 20 1HG PRO 20 6.397 10.490 5.878 165 1HD PRO 20 1HD PRO 20 7.166 8.048 5.044 166 2HD PRO 20 2HD PRO 20 5.465 8.450 5.360 167 H ASN 21 H ASN 21 8.260 8.716 2.348 168 HA ASN 21 HA ASN 21 9.127 10.693 0.280 169 1HB ASN 21 2HB ASN 21 10.654 8.769 2.041 170 2HB ASN 21 1HB ASN 21 11.398 9.911 0.931 171 1HD2 ASN 21 1HD2 ASN 21 10.972 12.263 1.388 172 2HD2 ASN 21 2HD2 ASN 21 10.679 12.746 2.987 173 H LEU 22 H LEU 22 7.728 7.632 0.248 174 HA LEU 22 HA LEU 22 9.463 6.486 -1.861 175 1HB LEU 22 2HB LEU 22 6.950 5.615 -0.412 176 2HB LEU 22 1HB LEU 22 7.490 4.766 -1.852 177 HG LEU 22 HG LEU 22 8.694 4.821 0.887 178 1HD1 LEU 22 3HD1 LEU 22 8.324 2.828 -1.353 179 2HD1 LEU 22 2HD1 LEU 22 9.289 2.455 0.081 180 3HD1 LEU 22 1HD1 LEU 22 7.568 2.821 0.243 181 1HD2 LEU 22 3HD2 LEU 22 10.310 4.624 -1.672 182 2HD2 LEU 22 2HD2 LEU 22 10.566 5.741 -0.313 183 3HD2 LEU 22 1HD2 LEU 22 10.879 4.009 -0.117 184 H ASN 23 H ASN 23 8.957 6.482 -4.028 185 HA ASN 23 HA ASN 23 6.535 8.062 -4.850 186 1HB ASN 23 2HB ASN 23 7.847 8.881 -6.708 187 2HB ASN 23 1HB ASN 23 8.792 9.088 -5.255 188 1HD2 ASN 23 1HD2 ASN 23 9.750 8.784 -8.099 189 2HD2 ASN 23 2HD2 ASN 23 10.796 7.447 -8.079 190 H GLU 24 H GLU 24 6.557 7.488 -7.529 191 HA GLU 24 HA GLU 24 5.149 4.995 -7.708 192 1HB GLU 24 2HB GLU 24 6.587 6.527 -9.930 193 2HB GLU 24 1HB GLU 24 5.252 5.405 -10.143 194 1HG GLU 24 2HG GLU 24 5.158 8.123 -8.800 195 2HG GLU 24 1HG GLU 24 4.400 7.666 -10.317 196 H GLU 25 H GLU 25 8.552 5.835 -8.520 197 HA GLU 25 HA GLU 25 9.232 3.279 -9.661 198 1HB GLU 25 2HB GLU 25 10.465 5.443 -9.931 199 2HB GLU 25 1HB GLU 25 10.981 5.324 -8.250 200 1HG GLU 25 2HG GLU 25 12.001 3.068 -8.836 201 2HG GLU 25 1HG GLU 25 11.682 3.451 -10.526 202 H GLN 26 H GLN 26 9.844 4.614 -6.384 203 HA GLN 26 HA GLN 26 10.969 2.128 -5.363 204 1HB GLN 26 2HB GLN 26 9.936 4.571 -3.896 205 2HB GLN 26 1HB GLN 26 11.036 3.359 -3.247 206 1HG GLN 26 2HG GLN 26 11.641 5.129 -5.647 207 2HG GLN 26 1HG GLN 26 12.222 5.421 -4.017 208 1HE2 GLN 26 1HE2 GLN 26 12.520 3.198 -6.798 209 2HE2 GLN 26 2HE2 GLN 26 13.975 2.497 -6.281 210 H ARG 27 H ARG 27 7.870 3.805 -4.548 211 HA ARG 27 HA ARG 27 6.839 1.758 -2.854 212 1HB ARG 27 2HB ARG 27 5.856 3.970 -2.909 213 2HB ARG 27 1HB ARG 27 5.500 3.837 -4.630 214 1HG ARG 27 2HG ARG 27 3.961 1.943 -4.115 215 2HG ARG 27 1HG ARG 27 4.207 2.257 -2.397 216 1HD ARG 27 2HD ARG 27 2.226 3.455 -2.933 217 2HD ARG 27 1HD ARG 27 3.492 4.692 -3.002 218 HE ARG 27 HE ARG 27 2.713 3.207 -5.476 219 1HH1 ARG 27 1HH1 ARG 27 4.617 5.738 -4.664 220 2HH1 ARG 27 2HH1 ARG 27 3.802 6.939 -5.607 221 1HH2 ARG 27 1HH2 ARG 27 1.043 4.921 -6.273 222 2HH2 ARG 27 2HH2 ARG 27 1.763 6.477 -6.512 223 H ASN 28 H ASN 28 6.112 2.292 -6.382 224 HA ASN 28 HA ASN 28 4.314 0.052 -6.616 225 1HB ASN 28 2HB ASN 28 5.978 1.299 -8.793 226 2HB ASN 28 1HB ASN 28 4.487 0.431 -9.008 227 1HD2 ASN 28 1HD2 ASN 28 4.557 2.940 -10.114 228 2HD2 ASN 28 2HD2 ASN 28 3.649 4.037 -9.194 229 H ALA 29 H ALA 29 7.827 0.373 -7.300 230 HA ALA 29 HA ALA 29 8.279 -2.258 -8.360 231 1HB ALA 29 1HB ALA 29 9.854 -0.333 -8.334 232 2HB ALA 29 2HB ALA 29 10.580 -1.809 -7.688 233 3HB ALA 29 3HB ALA 29 10.029 -0.543 -6.589 234 H PHE 30 H PHE 30 8.171 -0.990 -5.040 235 HA PHE 30 HA PHE 30 8.979 -3.360 -3.652 236 1HB PHE 30 2HB PHE 30 7.361 -0.892 -3.037 237 2HB PHE 30 1HB PHE 30 7.511 -2.173 -1.835 238 HD1 PHE 30 HD1 PHE 30 10.403 -2.970 -2.994 239 HD2 PHE 30 HD2 PHE 30 8.611 0.655 -1.560 240 HE1 PHE 30 HE1 PHE 30 12.603 -2.164 -2.314 241 HE2 PHE 30 HE2 PHE 30 10.842 1.466 -0.885 242 HZ PHE 30 HZ PHE 30 12.828 0.013 -1.247 243 H ILE 31 H ILE 31 5.810 -2.123 -4.573 244 HA ILE 31 HA ILE 31 4.276 -4.287 -3.471 245 HB ILE 31 HB ILE 31 3.816 -2.285 -5.698 246 1HG1 ILE 31 2HG1 ILE 31 2.752 -2.320 -2.897 247 2HG1 ILE 31 1HG1 ILE 31 4.295 -1.584 -3.266 248 1HG2 ILE 31 2HG2 ILE 31 2.248 -4.559 -4.945 249 2HG2 ILE 31 1HG2 ILE 31 1.413 -3.074 -4.483 250 3HG2 ILE 31 3HG2 ILE 31 1.899 -3.327 -6.158 251 1HD1 ILE 31 1HD1 ILE 31 1.704 -0.861 -4.643 252 2HD1 ILE 31 3HD1 ILE 31 2.369 0.005 -3.241 253 3HD1 ILE 31 2HD1 ILE 31 3.275 -0.018 -4.756 254 H GLN 32 H GLN 32 6.158 -3.950 -6.494 255 HA GLN 32 HA GLN 32 5.036 -6.348 -7.765 256 1HB GLN 32 2HB GLN 32 7.527 -4.657 -8.197 257 2HB GLN 32 1HB GLN 32 7.094 -6.014 -9.237 258 1HG GLN 32 2HG GLN 32 4.967 -4.945 -9.804 259 2HG GLN 32 1HG GLN 32 5.307 -3.618 -8.699 260 1HE2 GLN 32 1HE2 GLN 32 6.289 -5.083 -11.803 261 2HE2 GLN 32 2HE2 GLN 32 7.147 -3.727 -12.355 262 H SER 33 H SER 33 8.082 -5.607 -5.985 263 HA SER 33 HA SER 33 9.095 -8.325 -5.900 264 1HB SER 33 2HB SER 33 10.532 -7.259 -4.059 265 2HB SER 33 1HB SER 33 10.648 -6.565 -5.670 266 HG SER 33 HG SER 33 9.035 -5.611 -3.526 267 H LEU 34 H LEU 34 6.884 -6.509 -3.895 268 HA LEU 34 HA LEU 34 6.954 -8.319 -1.595 269 1HB LEU 34 2HB LEU 34 6.670 -5.859 -1.536 270 2HB LEU 34 1HB LEU 34 5.167 -6.015 -2.432 271 HG LEU 34 HG LEU 34 4.340 -7.468 -0.504 272 1HD1 LEU 34 3HD1 LEU 34 6.881 -6.354 0.660 273 2HD1 LEU 34 2HD1 LEU 34 5.525 -6.873 1.661 274 3HD1 LEU 34 1HD1 LEU 34 6.345 -8.034 0.613 275 1HD2 LEU 34 3HD2 LEU 34 3.953 -4.939 -0.971 276 2HD2 LEU 34 2HD2 LEU 34 3.572 -5.570 0.625 277 3HD2 LEU 34 1HD2 LEU 34 5.071 -4.688 0.370 278 H LYS 35 H LYS 35 4.560 -7.590 -4.210 279 HA LYS 35 HA LYS 35 2.541 -9.433 -3.300 280 1HB LYS 35 2HB LYS 35 3.129 -7.829 -5.736 281 2HB LYS 35 1HB LYS 35 2.074 -9.186 -5.984 282 1HG LYS 35 2HG LYS 35 1.032 -8.112 -3.702 283 2HG LYS 35 1HG LYS 35 1.541 -6.689 -4.613 284 1HD LYS 35 2HD LYS 35 0.077 -7.086 -6.336 285 2HD LYS 35 1HD LYS 35 0.119 -8.835 -6.118 286 1HE LYS 35 2HE LYS 35 -1.004 -7.502 -3.773 287 2HE LYS 35 1HE LYS 35 -1.919 -7.122 -5.243 288 1HZ LYS 35 1HZ LYS 35 -1.085 -9.867 -4.443 289 2HZ LYS 35 3HZ LYS 35 -2.634 -9.226 -4.190 290 3HZ LYS 35 2HZ LYS 35 -2.060 -9.450 -5.774 291 H ASP 36 H ASP 36 5.386 -9.873 -5.393 292 HA ASP 36 HA ASP 36 4.597 -12.674 -5.984 293 1HB ASP 36 2HB ASP 36 6.880 -10.908 -6.913 294 2HB ASP 36 1HB ASP 36 6.572 -12.537 -7.510 295 H ASP 37 H ASP 37 6.936 -10.933 -3.921 296 HA ASP 37 HA ASP 37 8.074 -13.596 -3.103 297 1HB ASP 37 2HB ASP 37 9.498 -11.668 -4.205 298 2HB ASP 37 1HB ASP 37 9.442 -10.963 -2.588 299 HA PRO 38 HA PRO 38 5.723 -12.349 0.604 300 1HB PRO 38 2HB PRO 38 5.659 -14.862 1.693 301 2HB PRO 38 1HB PRO 38 4.533 -14.317 0.434 302 1HG PRO 38 2HG PRO 38 7.017 -15.942 0.157 303 2HG PRO 38 1HG PRO 38 5.429 -16.172 -0.595 304 1HD PRO 38 1HD PRO 38 7.474 -15.055 -1.926 305 2HD PRO 38 2HD PRO 38 5.787 -14.547 -2.178 306 H SER 39 H SER 39 8.650 -14.430 0.572 307 HA SER 39 HA SER 39 9.355 -14.065 3.337 308 1HB SER 39 2HB SER 39 10.150 -15.830 1.696 309 2HB SER 39 1HB SER 39 11.197 -14.601 0.990 310 HG SER 39 HG SER 39 12.445 -14.670 2.716 311 H GLN 40 H GLN 40 10.260 -12.200 0.413 312 HA GLN 40 HA GLN 40 12.165 -10.496 1.832 313 1HB GLN 40 2HB GLN 40 12.007 -11.137 -0.682 314 2HB GLN 40 1HB GLN 40 10.768 -9.886 -0.784 315 1HG GLN 40 2HG GLN 40 12.452 -8.298 0.278 316 2HG GLN 40 1HG GLN 40 13.664 -9.547 0.023 317 1HE2 GLN 40 1HE2 GLN 40 13.890 -7.016 -1.281 318 2HE2 GLN 40 2HE2 GLN 40 13.653 -7.240 -2.948 319 H SER 41 H SER 41 8.712 -10.518 1.837 320 HA SER 41 HA SER 41 7.953 -7.866 1.520 321 1HB SER 41 2HB SER 41 6.047 -8.450 2.960 322 2HB SER 41 1HB SER 41 6.457 -9.799 1.910 323 HG SER 41 HG SER 41 6.954 -10.937 3.617 324 H ALA 42 H ALA 42 9.010 -9.204 4.765 325 HA ALA 42 HA ALA 42 8.779 -6.682 6.140 326 1HB ALA 42 2HB ALA 42 10.794 -8.904 6.461 327 2HB ALA 42 3HB ALA 42 9.199 -8.854 7.224 328 3HB ALA 42 1HB ALA 42 10.430 -7.666 7.662 329 H ASN 43 H ASN 43 11.575 -8.194 4.482 330 HA ASN 43 HA ASN 43 13.525 -6.149 4.809 331 1HB ASN 43 2HB ASN 43 12.926 -8.375 2.935 332 2HB ASN 43 1HB ASN 43 14.032 -7.133 2.333 333 1HD2 ASN 43 1HD2 ASN 43 15.850 -6.558 4.080 334 2HD2 ASN 43 2HD2 ASN 43 16.521 -7.884 4.901 335 H LEU 44 H LEU 44 10.908 -6.578 2.444 336 HA LEU 44 HA LEU 44 11.572 -4.413 0.695 337 1HB LEU 44 2HB LEU 44 9.089 -5.966 1.341 338 2HB LEU 44 1HB LEU 44 9.065 -4.650 0.162 339 HG LEU 44 HG LEU 44 11.014 -6.948 0.106 340 1HD1 LEU 44 1HD1 LEU 44 8.453 -7.319 -0.277 341 2HD1 LEU 44 3HD1 LEU 44 8.783 -6.572 -1.841 342 3HD1 LEU 44 2HD1 LEU 44 9.628 -8.051 -1.376 343 1HD2 LEU 44 2HD2 LEU 44 10.887 -4.349 -1.137 344 2HD2 LEU 44 1HD2 LEU 44 12.102 -5.627 -1.317 345 3HD2 LEU 44 3HD2 LEU 44 10.685 -5.630 -2.385 346 H LEU 45 H LEU 45 9.476 -4.637 3.563 347 HA LEU 45 HA LEU 45 8.740 -1.814 3.364 348 1HB LEU 45 2HB LEU 45 7.357 -3.274 4.606 349 2HB LEU 45 1HB LEU 45 8.704 -3.867 5.573 350 HG LEU 45 HG LEU 45 8.925 -1.773 6.700 351 1HD1 LEU 45 1HD1 LEU 45 6.973 -0.726 4.619 352 2HD1 LEU 45 3HD1 LEU 45 7.376 0.160 6.087 353 3HD1 LEU 45 2HD1 LEU 45 8.630 -0.178 4.898 354 1HD2 LEU 45 3HD2 LEU 45 7.070 -3.317 7.348 355 2HD2 LEU 45 2HD2 LEU 45 6.790 -1.638 7.810 356 3HD2 LEU 45 1HD2 LEU 45 5.968 -2.315 6.406 357 H ALA 46 H ALA 46 11.240 -3.677 5.156 358 HA ALA 46 HA ALA 46 12.490 -1.511 6.569 359 1HB ALA 46 3HB ALA 46 13.377 -4.113 5.313 360 2HB ALA 46 2HB ALA 46 14.581 -3.020 6.009 361 3HB ALA 46 1HB ALA 46 13.295 -3.682 7.029 362 H GLU 47 H GLU 47 13.173 -2.766 3.239 363 HA GLU 47 HA GLU 47 15.170 -0.760 2.690 364 1HB GLU 47 2HB GLU 47 14.995 -1.576 0.353 365 2HB GLU 47 1HB GLU 47 15.188 -2.887 1.502 366 1HG GLU 47 2HG GLU 47 12.672 -3.109 1.401 367 2HG GLU 47 1HG GLU 47 12.753 -2.054 -0.006 368 H ALA 48 H ALA 48 11.611 -0.969 2.167 369 HA ALA 48 HA ALA 48 11.388 1.489 0.688 370 1HB ALA 48 2HB ALA 48 9.746 -0.399 1.071 371 2HB ALA 48 1HB ALA 48 9.506 0.247 2.705 372 3HB ALA 48 3HB ALA 48 9.068 1.214 1.284 373 H LYS 49 H LYS 49 11.446 0.712 4.187 374 HA LYS 49 HA LYS 49 10.936 3.376 5.197 375 1HB LYS 49 2HB LYS 49 11.810 0.698 6.108 376 2HB LYS 49 1HB LYS 49 12.388 2.016 7.111 377 1HG LYS 49 2HG LYS 49 10.286 2.573 7.821 378 2HG LYS 49 1HG LYS 49 9.546 2.153 6.268 379 1HD LYS 49 2HD LYS 49 9.826 -0.205 6.738 380 2HD LYS 49 1HD LYS 49 10.596 0.159 8.282 381 1HE LYS 49 2HE LYS 49 7.851 1.219 7.638 382 2HE LYS 49 1HE LYS 49 8.067 -0.411 8.294 383 1HZ LYS 49 2HZ LYS 49 9.389 0.546 10.110 384 2HZ LYS 49 1HZ LYS 49 9.089 2.108 9.509 385 3HZ LYS 49 3HZ LYS 49 7.810 1.168 10.099 386 H LYS 50 H LYS 50 13.741 1.426 4.431 387 HA LYS 50 HA LYS 50 15.901 3.115 5.201 388 1HB LYS 50 2HB LYS 50 16.323 0.834 4.733 389 2HB LYS 50 1HB LYS 50 15.323 0.864 3.300 390 1HG LYS 50 2HG LYS 50 17.215 2.500 2.402 391 2HG LYS 50 1HG LYS 50 18.183 1.652 3.611 392 1HD LYS 50 2HD LYS 50 16.457 0.189 1.577 393 2HD LYS 50 1HD LYS 50 18.154 0.586 1.278 394 1HE LYS 50 2HE LYS 50 17.456 -0.827 3.847 395 2HE LYS 50 1HE LYS 50 17.505 -1.763 2.340 396 1HZ LYS 50 2HZ LYS 50 19.711 -0.869 1.887 397 2HZ LYS 50 1HZ LYS 50 19.675 0.021 3.337 398 3HZ LYS 50 3HZ LYS 50 19.695 -1.675 3.382 399 H LEU 51 H LEU 51 13.933 2.861 2.242 400 HA LEU 51 HA LEU 51 15.379 4.858 0.692 401 1HB LEU 51 2HB LEU 51 12.924 3.192 0.558 402 2HB LEU 51 1HB LEU 51 12.848 4.694 -0.351 403 HG LEU 51 HG LEU 51 14.515 4.049 -1.820 404 1HD1 LEU 51 2HD1 LEU 51 15.521 2.364 0.454 405 2HD1 LEU 51 1HD1 LEU 51 15.975 1.949 -1.199 406 3HD1 LEU 51 3HD1 LEU 51 16.401 3.530 -0.536 407 1HD2 LEU 51 1HD2 LEU 51 12.902 1.741 -0.857 408 2HD2 LEU 51 3HD2 LEU 51 12.872 2.554 -2.421 409 3HD2 LEU 51 2HD2 LEU 51 14.176 1.427 -2.040 410 H ASN 52 H ASN 52 12.511 4.850 2.782 411 HA ASN 52 HA ASN 52 11.492 7.427 2.261 412 1HB ASN 52 2HB ASN 52 10.492 5.508 3.576 413 2HB ASN 52 1HB ASN 52 11.545 5.965 4.914 414 1HD2 ASN 52 1HD2 ASN 52 10.943 7.781 6.177 415 2HD2 ASN 52 2HD2 ASN 52 9.544 8.698 5.886 416 H ASP 53 H ASP 53 14.001 6.389 4.592 417 HA ASP 53 HA ASP 53 14.420 9.137 5.589 418 1HB ASP 53 2HB ASP 53 15.939 6.545 6.024 419 2HB ASP 53 1HB ASP 53 16.163 8.030 6.947 420 H ALA 54 H ALA 54 16.179 6.842 3.460 421 HA ALA 54 HA ALA 54 18.531 8.477 3.076 422 1HB ALA 54 1HB ALA 54 18.921 6.909 1.201 423 2HB ALA 54 3HB ALA 54 18.371 6.042 2.636 424 3HB ALA 54 2HB ALA 54 17.248 6.358 1.313 425 H GLN 55 H GLN 55 15.625 7.983 1.026 426 HA GLN 55 HA GLN 55 16.311 10.030 -0.920 427 1HB GLN 55 2HB GLN 55 13.691 8.682 -0.210 428 2HB GLN 55 1HB GLN 55 13.957 9.663 -1.648 429 1HG GLN 55 2HG GLN 55 15.749 8.096 -2.371 430 2HG GLN 55 1HG GLN 55 15.425 7.091 -0.956 431 1HE2 GLN 55 1HE2 GLN 55 12.706 6.909 -0.814 432 2HE2 GLN 55 2HE2 GLN 55 12.051 6.275 -2.243 433 H ALA 56 H ALA 56 14.724 10.083 2.227 434 HA ALA 56 HA ALA 56 13.057 12.340 2.079 435 1HB ALA 56 2HB ALA 56 14.510 10.838 4.149 436 2HB ALA 56 3HB ALA 56 12.867 11.480 4.168 437 3HB ALA 56 1HB ALA 56 14.224 12.530 4.571 438 HA PRO 57 HA PRO 57 15.660 15.808 1.549 439 1HB PRO 57 2HB PRO 57 14.112 17.725 2.751 440 2HB PRO 57 1HB PRO 57 13.746 17.031 1.161 441 1HG PRO 57 2HG PRO 57 12.587 16.360 3.822 442 2HG PRO 57 1HG PRO 57 11.782 16.532 2.253 443 1HD PRO 57 1HD PRO 57 12.393 14.126 3.334 444 2HD PRO 57 2HD PRO 57 12.350 14.409 1.581 445 H LYS 58 H LYS 58 14.470 15.035 4.810 446 HA LYS 58 HA LYS 58 16.966 16.239 5.969 447 1HB LYS 58 2HB LYS 58 14.804 17.491 6.384 448 2HB LYS 58 1HB LYS 58 14.213 16.069 7.243 449 1HG LYS 58 2HG LYS 58 16.144 16.226 8.797 450 2HG LYS 58 1HG LYS 58 16.679 17.684 7.959 451 1HD LYS 58 2HD LYS 58 14.461 18.733 8.493 452 2HD LYS 58 1HD LYS 58 14.071 17.310 9.458 453 1HE LYS 58 2HE LYS 58 14.976 18.640 11.132 454 2HE LYS 58 1HE LYS 58 16.474 17.889 10.548 455 1HZ LYS 58 2HZ LYS 58 16.756 19.736 9.000 456 2HZ LYS 58 1HZ LYS 58 15.331 20.464 9.575 457 3HZ LYS 58 3HZ LYS 58 16.675 20.308 10.597 458 H1 VAL 1 1H VAL 1 1.416 -15.628 -9.374 459 H2 VAL 1 3H VAL 1 2.128 -16.921 -10.212 460 H3 VAL 1 2H VAL 1 1.191 -17.219 -8.827 461 HA VAL 1 HA VAL 1 2.778 -16.299 -7.379 462 HB VAL 1 HB VAL 1 3.118 -18.595 -8.470 463 1HG1 VAL 1 1HG1 VAL 1 3.926 -17.735 -10.676 464 2HG1 VAL 1 3HG1 VAL 1 5.386 -17.151 -9.878 465 3HG1 VAL 1 2HG1 VAL 1 5.043 -18.879 -9.937 466 1HG2 VAL 1 2HG2 VAL 1 4.305 -17.787 -6.424 467 2HG2 VAL 1 1HG2 VAL 1 5.272 -18.910 -7.380 468 3HG2 VAL 1 3HG2 VAL 1 5.602 -17.179 -7.456 469 H ASP 2 H ASP 2 3.470 -15.400 -10.758 470 HA ASP 2 HA ASP 2 5.298 -13.250 -9.739 471 1HB ASP 2 2HB ASP 2 6.621 -13.595 -11.788 472 2HB ASP 2 1HB ASP 2 6.490 -15.100 -10.887 473 H ASN 3 H ASN 3 5.271 -11.262 -10.987 474 HA ASN 3 HA ASN 3 4.185 -9.469 -12.034 475 1HB ASN 3 2HB ASN 3 3.607 -11.827 -13.847 476 2HB ASN 3 1HB ASN 3 3.214 -10.170 -14.301 477 1HD2 ASN 3 1HD2 ASN 3 5.817 -12.484 -14.037 478 2HD2 ASN 3 2HD2 ASN 3 7.061 -11.436 -14.520 479 H LYS 4 H LYS 4 2.678 -10.181 -9.872 480 HA LYS 4 HA LYS 4 -0.124 -10.750 -10.579 481 1HB LYS 4 2HB LYS 4 1.347 -9.895 -8.065 482 2HB LYS 4 1HB LYS 4 -0.396 -10.148 -8.095 483 1HG LYS 4 2HG LYS 4 -0.010 -12.470 -8.921 484 2HG LYS 4 1HG LYS 4 1.727 -12.209 -8.757 485 1HD LYS 4 2HD LYS 4 1.362 -11.671 -6.335 486 2HD LYS 4 1HD LYS 4 -0.333 -12.114 -6.537 487 1HE LYS 4 2HE LYS 4 0.402 -14.200 -5.917 488 2HE LYS 4 1HE LYS 4 0.911 -14.316 -7.612 489 1HZ LYS 4 1HZ LYS 4 2.576 -13.202 -5.409 490 2HZ LYS 4 3HZ LYS 4 2.752 -14.755 -6.060 491 3HZ LYS 4 2HZ LYS 4 3.049 -13.394 -7.030 492 H PHE 5 H PHE 5 -1.674 -8.946 -9.226 493 HA PHE 5 HA PHE 5 -1.589 -6.537 -10.873 494 1HB PHE 5 2HB PHE 5 -3.284 -7.621 -8.614 495 2HB PHE 5 1HB PHE 5 -3.555 -6.012 -9.257 496 HD1 PHE 5 HD1 PHE 5 -4.004 -5.751 -11.766 497 HD2 PHE 5 HD2 PHE 5 -4.099 -9.540 -9.744 498 HE1 PHE 5 HE1 PHE 5 -5.303 -6.719 -13.641 499 HE2 PHE 5 HE2 PHE 5 -5.396 -10.509 -11.621 500 HZ PHE 5 HZ PHE 5 -5.999 -9.097 -13.568 501 H ASN 6 H ASN 6 0.684 -5.985 -10.051 502 HA ASN 6 HA ASN 6 0.828 -4.837 -7.326 503 1HB ASN 6 2HB ASN 6 2.999 -4.738 -9.414 504 2HB ASN 6 1HB ASN 6 3.159 -4.807 -7.662 505 1HD2 ASN 6 1HD2 ASN 6 4.065 -6.687 -10.053 506 2HD2 ASN 6 2HD2 ASN 6 3.631 -8.226 -9.489 507 H LYS 7 H LYS 7 0.937 -3.797 -10.697 508 HA LYS 7 HA LYS 7 1.451 -1.009 -10.334 509 1HB LYS 7 2HB LYS 7 1.444 -2.357 -12.485 510 2HB LYS 7 1HB LYS 7 -0.322 -2.330 -12.409 511 1HG LYS 7 2HG LYS 7 0.316 -0.511 -13.843 512 2HG LYS 7 1HG LYS 7 -0.163 0.214 -12.309 513 1HD LYS 7 2HD LYS 7 2.291 0.179 -11.647 514 2HD LYS 7 1HD LYS 7 2.656 -0.283 -13.309 515 1HE LYS 7 2HE LYS 7 2.274 1.827 -14.106 516 2HE LYS 7 1HE LYS 7 0.862 2.066 -13.061 517 1HZ LYS 7 3HZ LYS 7 2.351 2.325 -11.163 518 2HZ LYS 7 2HZ LYS 7 3.706 2.116 -12.170 519 3HZ LYS 7 1HZ LYS 7 2.706 3.475 -12.357 520 H GLU 8 H GLU 8 -1.479 -2.922 -10.100 521 HA GLU 8 HA GLU 8 -3.383 -0.780 -9.944 522 1HB GLU 8 2HB GLU 8 -3.223 -3.689 -9.485 523 2HB GLU 8 1HB GLU 8 -4.445 -2.879 -8.502 524 1HG GLU 8 2HG GLU 8 -5.370 -1.845 -10.568 525 2HG GLU 8 1HG GLU 8 -4.192 -2.746 -11.520 526 H LEU 9 H LEU 9 -1.437 -2.432 -7.485 527 HA LEU 9 HA LEU 9 -2.715 -1.015 -5.269 528 1HB LEU 9 2HB LEU 9 0.027 -2.230 -5.120 529 2HB LEU 9 1HB LEU 9 -1.191 -2.090 -3.911 530 HG LEU 9 HG LEU 9 -1.738 -3.810 -6.287 531 1HD1 LEU 9 1HD1 LEU 9 0.252 -4.221 -4.168 532 2HD1 LEU 9 3HD1 LEU 9 -0.942 -5.518 -4.229 533 3HD1 LEU 9 2HD1 LEU 9 0.026 -5.143 -5.660 534 1HD2 LEU 9 1HD2 LEU 9 -3.576 -3.094 -4.715 535 2HD2 LEU 9 3HD2 LEU 9 -3.304 -4.847 -4.697 536 3HD2 LEU 9 2HD2 LEU 9 -2.674 -3.849 -3.389 537 H SER 10 H SER 10 -0.202 -0.348 -7.547 538 HA SER 10 HA SER 10 1.298 1.617 -6.080 539 1HB SER 10 2HB SER 10 2.435 1.102 -7.988 540 2HB SER 10 1HB SER 10 1.006 0.512 -8.790 541 HG SER 10 HG SER 10 0.702 2.421 -9.684 542 H VAL 11 H VAL 11 -1.420 1.787 -8.448 543 HA VAL 11 HA VAL 11 -1.909 4.657 -7.949 544 HB VAL 11 HB VAL 11 -3.578 2.628 -9.482 545 1HG1 VAL 11 1HG1 VAL 11 -3.329 5.632 -9.463 546 2HG1 VAL 11 3HG1 VAL 11 -3.931 4.786 -10.891 547 3HG1 VAL 11 2HG1 VAL 11 -4.783 4.641 -9.352 548 1HG2 VAL 11 2HG2 VAL 11 -1.125 4.184 -10.373 549 2HG2 VAL 11 1HG2 VAL 11 -1.305 2.428 -10.317 550 3HG2 VAL 11 3HG2 VAL 11 -2.232 3.378 -11.483 551 H ALA 12 H ALA 12 -3.860 1.658 -7.533 552 HA ALA 12 HA ALA 12 -5.995 2.839 -6.048 553 1HB ALA 12 1HB ALA 12 -5.801 0.541 -7.243 554 2HB ALA 12 2HB ALA 12 -6.692 0.584 -5.721 555 3HB ALA 12 3HB ALA 12 -5.029 -0.023 -5.750 556 H GLY 13 H GLY 13 -3.183 1.037 -4.927 557 1HA GLY 13 1HA GLY 13 -2.134 0.882 -2.877 558 2HA GLY 13 2HA GLY 13 -3.714 1.179 -2.158 559 H ARG 14 H ARG 14 -1.322 3.097 -4.002 560 HA ARG 14 HA ARG 14 -0.641 4.715 -1.797 561 1HB ARG 14 2HB ARG 14 0.544 4.442 -4.019 562 2HB ARG 14 1HB ARG 14 -0.556 5.666 -4.654 563 1HG ARG 14 2HG ARG 14 1.652 6.578 -3.804 564 2HG ARG 14 1HG ARG 14 0.231 7.308 -3.073 565 1HD ARG 14 2HD ARG 14 0.665 6.392 -0.998 566 2HD ARG 14 1HD ARG 14 1.365 4.917 -1.683 567 HE ARG 14 HE ARG 14 3.469 5.999 -1.752 568 1HH1 ARG 14 1HH1 ARG 14 2.954 8.461 -3.209 569 2HH1 ARG 14 2HH1 ARG 14 3.107 9.696 -2.003 570 1HH2 ARG 14 1HH2 ARG 14 2.809 7.485 0.677 571 2HH2 ARG 14 2HH2 ARG 14 3.026 9.139 0.211 572 H GLU 15 H GLU 15 -3.339 5.258 -4.105 573 HA GLU 15 HA GLU 15 -3.905 7.954 -3.124 574 1HB GLU 15 2HB GLU 15 -5.465 5.890 -4.697 575 2HB GLU 15 1HB GLU 15 -6.089 7.507 -4.361 576 1HG GLU 15 2HG GLU 15 -4.000 8.450 -5.419 577 2HG GLU 15 1HG GLU 15 -3.566 6.808 -5.893 578 H ILE 16 H ILE 16 -5.277 4.722 -2.415 579 HA ILE 16 HA ILE 16 -7.312 5.416 -0.514 580 HB ILE 16 HB ILE 16 -5.507 3.008 -0.941 581 1HG1 ILE 16 2HG1 ILE 16 -8.462 3.315 -1.563 582 2HG1 ILE 16 1HG1 ILE 16 -7.209 3.773 -2.712 583 1HG2 ILE 16 3HG2 ILE 16 -7.680 3.446 1.082 584 2HG2 ILE 16 2HG2 ILE 16 -7.598 1.865 0.295 585 3HG2 ILE 16 1HG2 ILE 16 -6.209 2.473 1.204 586 1HD1 ILE 16 1HD1 ILE 16 -6.287 1.359 -2.232 587 2HD1 ILE 16 3HD1 ILE 16 -7.934 1.052 -1.686 588 3HD1 ILE 16 2HD1 ILE 16 -7.637 1.579 -3.345 589 H VAL 17 H VAL 17 -3.882 4.724 -0.166 590 HA VAL 17 HA VAL 17 -3.818 4.761 2.734 591 HB VAL 17 HB VAL 17 -2.455 3.518 0.964 592 1HG1 VAL 17 1HG1 VAL 17 -1.212 6.197 0.764 593 2HG1 VAL 17 3HG1 VAL 17 -0.244 4.751 0.507 594 3HG1 VAL 17 2HG1 VAL 17 -1.660 5.053 -0.489 595 1HG2 VAL 17 2HG2 VAL 17 -1.186 4.843 3.314 596 2HG2 VAL 17 1HG2 VAL 17 -1.844 3.198 3.187 597 3HG2 VAL 17 3HG2 VAL 17 -0.351 3.628 2.344 598 H THR 18 H THR 18 -3.451 7.293 0.256 599 HA THR 18 HA THR 18 -2.435 9.134 2.401 600 HB THR 18 HB THR 18 -1.364 10.387 0.601 601 HG1 THR 18 HG1 THR 18 -2.456 10.202 -1.201 602 1HG2 THR 18 2HG2 THR 18 -0.634 7.898 1.506 603 2HG2 THR 18 1HG2 THR 18 -0.544 7.709 -0.242 604 3HG2 THR 18 3HG2 THR 18 0.390 8.975 0.554 605 H LEU 19 H LEU 19 -5.482 8.618 1.008 606 HA LEU 19 HA LEU 19 -5.982 11.331 0.091 607 1HB LEU 19 2HB LEU 19 -8.391 10.767 0.394 608 2HB LEU 19 1HB LEU 19 -7.487 9.615 -0.567 609 HG LEU 19 HG LEU 19 -7.507 8.911 2.271 610 1HD1 LEU 19 2HD1 LEU 19 -10.055 9.338 0.714 611 2HD1 LEU 19 1HD1 LEU 19 -9.963 8.216 2.073 612 3HD1 LEU 19 3HD1 LEU 19 -9.648 9.935 2.322 613 1HD2 LEU 19 1HD2 LEU 19 -8.316 7.600 -0.347 614 2HD2 LEU 19 3HD2 LEU 19 -6.845 7.310 0.576 615 3HD2 LEU 19 2HD2 LEU 19 -8.398 6.773 1.210 616 HA PRO 20 HA PRO 20 -5.681 13.707 3.656 617 1HB PRO 20 2HB PRO 20 -7.333 15.797 3.039 618 2HB PRO 20 1HB PRO 20 -5.751 15.524 2.282 619 1HG PRO 20 2HG PRO 20 -8.474 14.882 1.259 620 2HG PRO 20 1HG PRO 20 -7.069 15.535 0.399 621 1HD PRO 20 1HD PRO 20 -7.817 12.924 0.262 622 2HD PRO 20 2HD PRO 20 -6.128 13.465 0.096 623 H ASN 21 H ASN 21 -9.124 13.034 2.845 624 HA ASN 21 HA ASN 21 -9.900 13.857 5.594 625 1HB ASN 21 2HB ASN 21 -11.494 12.878 3.227 626 2HB ASN 21 1HB ASN 21 -12.188 13.455 4.727 627 1HD2 ASN 21 1HD2 ASN 21 -12.904 14.778 2.401 628 2HD2 ASN 21 2HD2 ASN 21 -12.174 16.311 2.351 629 H LEU 22 H LEU 22 -8.561 11.022 4.571 630 HA LEU 22 HA LEU 22 -10.487 9.212 5.940 631 1HB LEU 22 2HB LEU 22 -9.092 8.847 3.732 632 2HB LEU 22 1HB LEU 22 -7.840 8.383 4.861 633 HG LEU 22 HG LEU 22 -9.689 6.868 5.905 634 1HD1 LEU 22 1HD1 LEU 22 -11.347 8.003 4.154 635 2HD1 LEU 22 3HD1 LEU 22 -10.726 6.733 3.100 636 3HD1 LEU 22 2HD1 LEU 22 -11.528 6.310 4.612 637 1HD2 LEU 22 2HD2 LEU 22 -7.903 6.509 3.566 638 2HD2 LEU 22 1HD2 LEU 22 -8.021 5.575 5.067 639 3HD2 LEU 22 3HD2 LEU 22 -9.158 5.275 3.751 640 H ASN 23 H ASN 23 -9.772 7.840 7.615 641 HA ASN 23 HA ASN 23 -7.582 8.991 9.314 642 1HB ASN 23 2HB ASN 23 -8.713 7.904 11.194 643 2HB ASN 23 1HB ASN 23 -9.863 8.872 10.286 644 1HD2 ASN 23 1HD2 ASN 23 -11.523 7.421 11.371 645 2HD2 ASN 23 2HD2 ASN 23 -11.849 5.905 10.682 646 H ASP 24 H ASP 24 -6.172 7.365 10.487 647 HA ASP 24 HA ASP 24 -4.886 5.652 8.674 648 1HB ASP 24 2HB ASP 24 -3.510 4.969 10.561 649 2HB ASP 24 1HB ASP 24 -3.832 6.696 10.620 650 HA PRO 25 HA PRO 25 -6.934 1.786 10.719 651 1HB PRO 25 2HB PRO 25 -9.555 2.042 11.495 652 2HB PRO 25 1HB PRO 25 -8.181 2.236 12.603 653 1HG PRO 25 2HG PRO 25 -9.815 4.317 11.231 654 2HG PRO 25 1HG PRO 25 -9.198 4.279 12.892 655 1HD PRO 25 1HD PRO 25 -8.029 5.734 10.946 656 2HD PRO 25 2HD PRO 25 -7.119 5.010 12.281 657 H GLN 26 H GLN 26 -9.059 4.090 8.879 658 HA GLN 26 HA GLN 26 -10.494 2.037 7.434 659 1HB GLN 26 2HB GLN 26 -9.900 4.970 6.979 660 2HB GLN 26 1HB GLN 26 -10.900 4.036 5.862 661 1HG GLN 26 2HG GLN 26 -12.540 3.592 7.504 662 2HG GLN 26 1HG GLN 26 -11.458 4.014 8.827 663 1HE2 GLN 26 1HE2 GLN 26 -13.810 5.275 9.001 664 2HE2 GLN 26 2HE2 GLN 26 -13.723 6.886 8.483 665 H LYS 27 H LYS 27 -7.729 4.120 6.399 666 HA LYS 27 HA LYS 27 -7.181 2.794 3.939 667 1HB LYS 27 2HB LYS 27 -4.771 3.564 4.423 668 2HB LYS 27 1HB LYS 27 -6.006 4.794 4.252 669 1HG LYS 27 2HG LYS 27 -6.140 4.699 6.851 670 2HG LYS 27 1HG LYS 27 -4.611 3.837 6.743 671 1HD LYS 27 2HD LYS 27 -3.949 6.081 6.949 672 2HD LYS 27 1HD LYS 27 -3.864 5.782 5.216 673 1HE LYS 27 2HE LYS 27 -6.311 6.676 5.142 674 2HE LYS 27 1HE LYS 27 -5.955 7.345 6.744 675 1HZ LYS 27 2HZ LYS 27 -3.968 8.392 5.816 676 2HZ LYS 27 1HZ LYS 27 -4.354 7.786 4.273 677 3HZ LYS 27 3HZ LYS 27 -5.369 8.925 5.014 678 H LYS 28 H LYS 28 -6.232 1.958 7.237 679 HA LYS 28 HA LYS 28 -4.271 -0.022 6.649 680 1HB LYS 28 2HB LYS 28 -5.755 0.968 8.904 681 2HB LYS 28 1HB LYS 28 -5.892 -0.789 8.923 682 1HG LYS 28 2HG LYS 28 -3.257 0.486 8.409 683 2HG LYS 28 1HG LYS 28 -3.827 0.354 10.060 684 1HD LYS 28 2HD LYS 28 -3.823 -1.989 9.991 685 2HD LYS 28 1HD LYS 28 -3.876 -2.025 8.226 686 1HE LYS 28 2HE LYS 28 -1.624 -2.660 8.975 687 2HE LYS 28 1HE LYS 28 -1.550 -1.085 8.173 688 1HZ LYS 28 2HZ LYS 28 -1.911 -1.404 11.112 689 2HZ LYS 28 1HZ LYS 28 -0.391 -1.205 10.380 690 3HZ LYS 28 3HZ LYS 28 -1.550 0.025 10.262 691 H ALA 29 H ALA 29 -7.747 -0.603 7.478 692 HA ALA 29 HA ALA 29 -7.795 -3.352 6.612 693 1HB ALA 29 2HB ALA 29 -10.260 -3.002 6.728 694 2HB ALA 29 3HB ALA 29 -9.993 -1.260 6.833 695 3HB ALA 29 1HB ALA 29 -9.443 -2.318 8.134 696 H PHE 30 H PHE 30 -8.331 -0.278 4.930 697 HA PHE 30 HA PHE 30 -9.459 -1.249 2.475 698 1HB PHE 30 2HB PHE 30 -8.334 1.190 3.625 699 2HB PHE 30 1HB PHE 30 -7.834 1.005 1.958 700 HD1 PHE 30 HD1 PHE 30 -10.638 1.594 4.213 701 HD2 PHE 30 HD2 PHE 30 -9.439 0.846 0.163 702 HE1 PHE 30 HE1 PHE 30 -12.852 2.369 3.438 703 HE2 PHE 30 HE2 PHE 30 -11.683 1.623 -0.618 704 HZ PHE 30 HZ PHE 30 -13.373 2.388 1.025 705 H ILE 31 H ILE 31 -6.104 -0.246 3.190 706 HA ILE 31 HA ILE 31 -4.985 -1.189 0.763 707 HB ILE 31 HB ILE 31 -3.926 -0.654 3.558 708 1HG1 ILE 31 2HG1 ILE 31 -4.005 0.885 0.991 709 2HG1 ILE 31 1HG1 ILE 31 -4.097 1.465 2.670 710 1HG2 ILE 31 2HG2 ILE 31 -2.641 -2.510 2.116 711 2HG2 ILE 31 1HG2 ILE 31 -1.954 -1.073 1.336 712 3HG2 ILE 31 3HG2 ILE 31 -1.779 -1.319 3.079 713 1HD1 ILE 31 1HD1 ILE 31 -1.574 0.362 1.481 714 2HD1 ILE 31 3HD1 ILE 31 -2.001 2.051 1.362 715 3HD1 ILE 31 2HD1 ILE 31 -1.771 1.327 2.953 716 H PHE 32 H PHE 32 -5.449 -2.723 3.982 717 HA PHE 32 HA PHE 32 -4.095 -5.128 3.416 718 1HB PHE 32 2HB PHE 32 -6.022 -4.200 5.479 719 2HB PHE 32 1HB PHE 32 -5.757 -5.935 5.349 720 HD1 PHE 32 HD1 PHE 32 -4.147 -6.736 7.031 721 HD2 PHE 32 HD2 PHE 32 -3.393 -2.898 5.056 722 HE1 PHE 32 HE1 PHE 32 -2.032 -6.473 8.214 723 HE2 PHE 32 HE2 PHE 32 -1.303 -2.726 6.286 724 HZ PHE 32 HZ PHE 32 -0.592 -4.532 7.815 725 H SER 33 H SER 33 -7.494 -4.229 2.721 726 HA SER 33 HA SER 33 -8.097 -6.925 1.658 727 1HB SER 33 2HB SER 33 -10.221 -5.888 1.033 728 2HB SER 33 1HB SER 33 -9.789 -5.374 2.658 729 HG SER 33 HG SER 33 -9.530 -3.395 1.958 730 H LEU 34 H LEU 34 -6.876 -3.856 0.389 731 HA LEU 34 HA LEU 34 -7.189 -4.302 -2.449 732 1HB LEU 34 2HB LEU 34 -6.845 -2.112 -1.665 733 2HB LEU 34 1HB LEU 34 -5.540 -2.569 -0.601 734 HG LEU 34 HG LEU 34 -4.302 -3.079 -2.850 735 1HD1 LEU 34 2HD1 LEU 34 -6.409 -2.716 -4.213 736 2HD1 LEU 34 1HD1 LEU 34 -6.335 -1.005 -3.767 737 3HD1 LEU 34 3HD1 LEU 34 -5.040 -1.732 -4.727 738 1HD2 LEU 34 1HD2 LEU 34 -3.821 -1.258 -1.146 739 2HD2 LEU 34 3HD2 LEU 34 -3.440 -0.817 -2.813 740 3HD2 LEU 34 2HD2 LEU 34 -4.916 -0.220 -2.063 741 H TRP 35 H TRP 35 -4.492 -4.956 -0.205 742 HA TRP 35 HA TRP 35 -2.590 -5.965 -2.141 743 1HB TRP 35 2HB TRP 35 -2.123 -5.117 0.096 744 2HB TRP 35 1HB TRP 35 -2.990 -6.472 0.784 745 HD1 TRP 35 HD1 TRP 35 -1.602 -8.581 1.270 746 HE1 TRP 35 HE1 TRP 35 0.752 -9.380 0.600 747 HE3 TRP 35 HE3 TRP 35 -0.375 -4.923 -2.011 748 HZ2 TRP 35 HZ2 TRP 35 2.893 -8.529 -1.119 749 HZ3 TRP 35 HZ3 TRP 35 1.806 -4.921 -3.151 750 HH2 TRP 35 HH2 TRP 35 3.431 -6.705 -2.711 751 H ASP 36 H ASP 36 -4.759 -7.664 0.198 752 HA ASP 36 HA ASP 36 -4.070 -10.326 -0.629 753 1HB ASP 36 2HB ASP 36 -6.491 -9.167 0.798 754 2HB ASP 36 1HB ASP 36 -6.167 -10.891 0.667 755 H ASP 37 H ASP 37 -6.670 -8.084 -1.600 756 HA ASP 37 HA ASP 37 -7.140 -9.811 -3.959 757 1HB ASP 37 2HB ASP 37 -9.097 -8.794 -1.903 758 2HB ASP 37 1HB ASP 37 -9.642 -9.175 -3.536 759 HA PRO 38 HA PRO 38 -6.548 -5.378 -5.151 760 1HB PRO 38 2HB PRO 38 -5.154 -5.865 -7.428 761 2HB PRO 38 1HB PRO 38 -4.409 -5.694 -5.829 762 1HG PRO 38 2HG PRO 38 -5.096 -8.188 -7.334 763 2HG PRO 38 1HG PRO 38 -3.642 -7.818 -6.386 764 1HD PRO 38 1HD PRO 38 -5.651 -9.356 -5.424 765 2HD PRO 38 2HD PRO 38 -4.669 -8.303 -4.378 766 H SER 39 H SER 39 -8.262 -8.059 -6.430 767 HA SER 39 HA SER 39 -9.185 -7.050 -8.969 768 1HB SER 39 2HB SER 39 -9.585 -9.286 -7.508 769 2HB SER 39 1HB SER 39 -11.044 -8.419 -7.047 770 HG SER 39 HG SER 39 -11.810 -8.686 -8.997 771 H GLN 40 H GLN 40 -10.074 -6.500 -5.587 772 HA GLN 40 HA GLN 40 -12.277 -4.643 -5.945 773 1HB GLN 40 2HB GLN 40 -10.304 -5.155 -3.700 774 2HB GLN 40 1HB GLN 40 -11.739 -4.148 -3.540 775 1HG GLN 40 2HG GLN 40 -13.179 -6.039 -3.972 776 2HG GLN 40 1HG GLN 40 -11.788 -7.062 -4.331 777 1HE2 GLN 40 1HE2 GLN 40 -10.033 -6.800 -2.353 778 2HE2 GLN 40 2HE2 GLN 40 -10.717 -7.048 -0.819 779 H SER 41 H SER 41 -8.744 -4.269 -5.914 780 HA SER 41 HA SER 41 -8.037 -1.853 -5.073 781 1HB SER 41 2HB SER 41 -6.393 -1.755 -6.739 782 2HB SER 41 1HB SER 41 -6.729 -3.448 -6.448 783 HG SER 41 HG SER 41 -7.471 -3.626 -8.427 784 H ALA 42 H ALA 42 -9.738 -2.103 -8.261 785 HA ALA 42 HA ALA 42 -9.796 0.721 -8.816 786 1HB ALA 42 3HB ALA 42 -11.696 -1.532 -9.585 787 2HB ALA 42 2HB ALA 42 -11.642 0.046 -10.369 788 3HB ALA 42 1HB ALA 42 -10.258 -1.042 -10.481 789 H ASN 43 H ASN 43 -12.194 -1.448 -7.256 790 HA ASN 43 HA ASN 43 -14.049 0.634 -6.539 791 1HB ASN 43 2HB ASN 43 -14.582 -1.791 -6.797 792 2HB ASN 43 1HB ASN 43 -13.615 -2.128 -5.362 793 1HD2 ASN 43 1HD2 ASN 43 -16.443 -0.107 -6.385 794 2HD2 ASN 43 2HD2 ASN 43 -17.226 -0.198 -4.882 795 H LEU 44 H LEU 44 -11.244 -0.878 -4.859 796 HA LEU 44 HA LEU 44 -11.713 0.213 -2.248 797 1HB LEU 44 2HB LEU 44 -9.413 -0.879 -3.821 798 2HB LEU 44 1HB LEU 44 -9.078 -0.100 -2.278 799 HG LEU 44 HG LEU 44 -11.278 -2.123 -2.438 800 1HD1 LEU 44 2HD1 LEU 44 -8.865 -2.845 -3.394 801 2HD1 LEU 44 1HD1 LEU 44 -8.562 -3.047 -1.667 802 3HD1 LEU 44 3HD1 LEU 44 -9.876 -3.939 -2.439 803 1HD2 LEU 44 2HD2 LEU 44 -9.297 -1.192 -0.329 804 2HD2 LEU 44 1HD2 LEU 44 -11.018 -0.785 -0.425 805 3HD2 LEU 44 3HD2 LEU 44 -10.526 -2.442 -0.077 806 H LEU 45 H LEU 45 -9.641 1.329 -4.851 807 HA LEU 45 HA LEU 45 -8.702 3.768 -3.786 808 1HB LEU 45 2HB LEU 45 -7.825 2.799 -5.820 809 2HB LEU 45 1HB LEU 45 -9.406 2.845 -6.591 810 HG LEU 45 HG LEU 45 -9.357 5.215 -6.786 811 1HD1 LEU 45 1HD1 LEU 45 -7.274 4.979 -4.661 812 2HD1 LEU 45 3HD1 LEU 45 -7.126 6.318 -5.806 813 3HD1 LEU 45 2HD1 LEU 45 -8.591 6.148 -4.840 814 1HD2 LEU 45 1HD2 LEU 45 -7.805 3.827 -8.285 815 2HD2 LEU 45 3HD2 LEU 45 -7.465 5.556 -8.189 816 3HD2 LEU 45 2HD2 LEU 45 -6.483 4.412 -7.273 817 H ALA 46 H ALA 46 -11.644 3.092 -5.675 818 HA ALA 46 HA ALA 46 -12.708 5.755 -5.743 819 1HB ALA 46 1HB ALA 46 -14.731 4.541 -6.424 820 2HB ALA 46 3HB ALA 46 -13.323 3.738 -7.129 821 3HB ALA 46 2HB ALA 46 -14.099 3.059 -5.692 822 H GLU 47 H GLU 47 -13.383 2.966 -3.626 823 HA GLU 47 HA GLU 47 -15.297 4.117 -1.890 824 1HB GLU 47 2HB GLU 47 -13.287 1.868 -1.758 825 2HB GLU 47 1HB GLU 47 -14.326 2.218 -0.375 826 1HG GLU 47 2HG GLU 47 -15.240 1.487 -3.176 827 2HG GLU 47 1HG GLU 47 -15.399 0.498 -1.732 828 H ALA 48 H ALA 48 -11.761 4.126 -1.785 829 HA ALA 48 HA ALA 48 -11.392 5.218 0.846 830 1HB ALA 48 2HB ALA 48 -9.360 4.504 0.068 831 2HB ALA 48 3HB ALA 48 -9.241 6.077 -0.724 832 3HB ALA 48 1HB ALA 48 -9.853 4.668 -1.621 833 H LYS 49 H LYS 49 -11.557 6.752 -2.398 834 HA LYS 49 HA LYS 49 -11.373 9.497 -1.539 835 1HB LYS 49 2HB LYS 49 -12.665 8.174 -3.956 836 2HB LYS 49 1HB LYS 49 -12.376 9.906 -3.816 837 1HG LYS 49 2HG LYS 49 -9.946 9.473 -3.582 838 2HG LYS 49 1HG LYS 49 -10.244 7.745 -3.757 839 1HD LYS 49 2HD LYS 49 -11.343 8.264 -5.986 840 2HD LYS 49 1HD LYS 49 -10.735 9.911 -5.815 841 1HE LYS 49 2HE LYS 49 -8.430 8.592 -5.353 842 2HE LYS 49 1HE LYS 49 -9.235 7.388 -6.378 843 1HZ LYS 49 3HZ LYS 49 -8.932 10.281 -7.029 844 2HZ LYS 49 2HZ LYS 49 -8.026 9.017 -7.715 845 3HZ LYS 49 1HZ LYS 49 -9.698 9.120 -8.002 846 H LYS 50 H LYS 50 -14.208 7.390 -2.213 847 HA LYS 50 HA LYS 50 -16.263 9.335 -1.664 848 1HB LYS 50 2HB LYS 50 -16.139 6.305 -1.552 849 2HB LYS 50 1HB LYS 50 -17.639 7.209 -1.349 850 1HG LYS 50 2HG LYS 50 -17.438 8.164 -3.568 851 2HG LYS 50 1HG LYS 50 -15.834 7.462 -3.773 852 1HD LYS 50 2HD LYS 50 -17.299 5.996 -4.942 853 2HD LYS 50 1HD LYS 50 -16.951 5.178 -3.420 854 1HE LYS 50 2HE LYS 50 -19.269 6.962 -3.187 855 2HE LYS 50 1HE LYS 50 -19.503 5.715 -4.427 856 1HZ LYS 50 3HZ LYS 50 -18.546 5.219 -1.649 857 2HZ LYS 50 2HZ LYS 50 -20.110 4.896 -2.219 858 3HZ LYS 50 1HZ LYS 50 -18.786 4.036 -2.842 859 H LEU 51 H LEU 51 -14.647 6.922 0.423 860 HA LEU 51 HA LEU 51 -16.209 7.331 2.794 861 1HB LEU 51 2HB LEU 51 -14.603 5.447 2.118 862 2HB LEU 51 1HB LEU 51 -13.284 6.495 2.619 863 HG LEU 51 HG LEU 51 -15.603 5.610 4.377 864 1HD1 LEU 51 1HD1 LEU 51 -12.745 4.655 4.180 865 2HD1 LEU 51 3HD1 LEU 51 -13.797 4.291 5.547 866 3HD1 LEU 51 2HD1 LEU 51 -14.214 3.712 3.935 867 1HD2 LEU 51 2HD2 LEU 51 -13.265 7.427 4.815 868 2HD2 LEU 51 1HD2 LEU 51 -14.920 7.566 5.408 869 3HD2 LEU 51 3HD2 LEU 51 -13.814 6.418 6.147 870 H ASN 52 H ASN 52 -13.193 8.920 1.643 871 HA ASN 52 HA ASN 52 -12.541 10.416 3.954 872 1HB ASN 52 2HB ASN 52 -10.957 11.189 2.526 873 2HB ASN 52 1HB ASN 52 -11.648 10.093 1.357 874 1HD2 ASN 52 1HD2 ASN 52 -10.298 12.867 1.165 875 2HD2 ASN 52 2HD2 ASN 52 -11.358 13.774 0.204 876 H ASP 53 H ASP 53 -15.056 11.023 1.500 877 HA ASP 53 HA ASP 53 -15.721 13.717 2.202 878 1HB ASP 53 2HB ASP 53 -16.340 12.299 0.149 879 2HB ASP 53 1HB ASP 53 -17.609 11.595 1.154 880 H ALA 54 H ALA 54 -16.788 10.573 3.507 881 HA ALA 54 HA ALA 54 -19.055 11.457 5.022 882 1HB ALA 54 1HB ALA 54 -18.093 9.114 4.368 883 2HB ALA 54 2HB ALA 54 -18.947 9.281 5.905 884 3HB ALA 54 3HB ALA 54 -17.182 9.256 5.874 885 H GLN 55 H GLN 55 -15.579 11.424 5.799 886 HA GLN 55 HA GLN 55 -16.024 12.343 8.578 887 1HB GLN 55 2HB GLN 55 -13.719 11.523 6.821 888 2HB GLN 55 1HB GLN 55 -13.404 12.295 8.362 889 1HG GLN 55 2HG GLN 55 -14.472 10.563 9.588 890 2HG GLN 55 1HG GLN 55 -15.250 9.918 8.141 891 1HE2 GLN 55 1HE2 GLN 55 -13.176 9.717 6.331 892 2HE2 GLN 55 2HE2 GLN 55 -11.984 8.661 6.922 893 H ALA 56 H ALA 56 -14.838 13.633 5.463 894 HA ALA 56 HA ALA 56 -15.139 16.419 6.492 895 1HB ALA 56 1HB ALA 56 -12.887 16.253 6.928 896 2HB ALA 56 2HB ALA 56 -12.765 16.578 5.198 897 3HB ALA 56 3HB ALA 56 -12.677 14.922 5.789 898 HA PRO 57 HA PRO 57 -16.578 17.032 2.322 899 1HB PRO 57 2HB PRO 57 -16.029 19.687 1.950 900 2HB PRO 57 1HB PRO 57 -17.360 19.111 2.975 901 1HG PRO 57 2HG PRO 57 -14.646 20.054 3.750 902 2HG PRO 57 1HG PRO 57 -16.209 20.367 4.520 903 1HD PRO 57 1HD PRO 57 -14.431 18.547 5.467 904 2HD PRO 57 2HD PRO 57 -16.189 18.376 5.668 905 H LYS 58 H LYS 58 -15.697 16.912 0.236 906 HA LYS 58 HA LYS 58 -12.824 16.561 -0.060 907 1HB LYS 58 2HB LYS 58 -15.160 16.688 -1.990 908 2HB LYS 58 1HB LYS 58 -13.512 16.360 -2.519 909 1HG LYS 58 2HG LYS 58 -13.429 14.416 -0.962 910 2HG LYS 58 1HG LYS 58 -15.110 14.720 -0.527 911 1HD LYS 58 2HD LYS 58 -15.711 14.485 -2.960 912 2HD LYS 58 1HD LYS 58 -14.045 14.004 -3.275 913 1HE LYS 58 2HE LYS 58 -14.627 11.873 -2.760 914 2HE LYS 58 1HE LYS 58 -14.930 12.404 -1.096 915 1HZ LYS 58 2HZ LYS 58 -17.147 13.187 -1.862 916 2HZ LYS 58 1HZ LYS 58 -16.851 12.453 -3.367 917 3HZ LYS 58 3HZ LYS 58 -16.953 11.504 -1.966 No H/Q in entry = 917 Start of MODEL 38 1 H1 VAL 1 3H VAL 1 2.215 -15.502 15.159 2 H2 VAL 1 2H VAL 1 1.679 -16.728 16.206 3 H3 VAL 1 1H VAL 1 2.376 -15.311 16.835 4 HA VAL 1 HA VAL 1 4.532 -15.872 16.064 5 HB VAL 1 HB VAL 1 3.007 -18.251 17.210 6 1HG1 VAL 1 1HG1 VAL 1 5.989 -17.738 16.992 7 2HG1 VAL 1 3HG1 VAL 1 5.288 -18.920 18.097 8 3HG1 VAL 1 2HG1 VAL 1 5.090 -19.115 16.355 9 1HG2 VAL 1 2HG2 VAL 1 4.532 -15.927 18.422 10 2HG2 VAL 1 1HG2 VAL 1 2.849 -16.383 18.697 11 3HG2 VAL 1 3HG2 VAL 1 4.149 -17.384 19.340 12 H ASP 2 H ASP 2 2.403 -18.631 15.110 13 HA ASP 2 HA ASP 2 4.163 -19.616 13.055 14 1HB ASP 2 2HB ASP 2 2.326 -21.098 12.543 15 2HB ASP 2 1HB ASP 2 2.319 -20.851 14.284 16 H ASN 3 H ASN 3 1.538 -17.205 12.971 17 HA ASN 3 HA ASN 3 1.742 -16.967 10.008 18 1HB ASN 3 2HB ASN 3 -0.063 -15.720 12.114 19 2HB ASN 3 1HB ASN 3 -0.192 -15.386 10.389 20 1HD2 ASN 3 1HD2 ASN 3 -1.782 -17.116 12.625 21 2HD2 ASN 3 2HD2 ASN 3 -2.203 -18.492 11.728 22 H LYS 4 H LYS 4 2.911 -15.346 9.074 23 HA LYS 4 HA LYS 4 3.557 -12.871 10.601 24 1HB LYS 4 2HB LYS 4 5.936 -13.598 9.174 25 2HB LYS 4 1HB LYS 4 5.741 -13.400 10.902 26 1HG LYS 4 2HG LYS 4 6.658 -15.567 10.585 27 2HG LYS 4 1HG LYS 4 4.958 -15.857 10.939 28 1HD LYS 4 2HD LYS 4 4.507 -16.216 8.592 29 2HD LYS 4 1HD LYS 4 6.133 -15.703 8.185 30 1HE LYS 4 2HE LYS 4 5.492 -18.139 9.881 31 2HE LYS 4 1HE LYS 4 5.908 -18.193 8.160 32 1HZ LYS 4 1HZ LYS 4 7.930 -16.756 8.941 33 2HZ LYS 4 3HZ LYS 4 7.601 -17.449 10.455 34 3HZ LYS 4 2HZ LYS 4 7.967 -18.442 9.129 35 H PHE 5 H PHE 5 4.434 -14.464 7.520 36 HA PHE 5 HA PHE 5 4.581 -12.141 5.923 37 1HB PHE 5 2HB PHE 5 3.852 -14.974 5.104 38 2HB PHE 5 1HB PHE 5 4.515 -13.730 4.046 39 HD1 PHE 5 HD1 PHE 5 6.773 -12.587 5.032 40 HD2 PHE 5 HD2 PHE 5 5.342 -16.510 6.025 41 HE1 PHE 5 HE1 PHE 5 9.053 -13.247 5.761 42 HE2 PHE 5 HE2 PHE 5 7.616 -17.169 6.717 43 HZ PHE 5 HZ PHE 5 9.452 -15.537 6.633 44 H ASN 6 H ASN 6 1.764 -14.029 6.934 45 HA ASN 6 HA ASN 6 -0.186 -13.377 5.014 46 1HB ASN 6 2HB ASN 6 -0.388 -13.501 8.051 47 2HB ASN 6 1HB ASN 6 -1.772 -13.557 6.960 48 1HD2 ASN 6 1HD2 ASN 6 -1.601 -15.423 5.224 49 2HD2 ASN 6 2HD2 ASN 6 -0.952 -16.892 5.771 50 H LYS 7 H LYS 7 0.625 -11.422 7.955 51 HA LYS 7 HA LYS 7 -0.787 -9.093 6.755 52 1HB LYS 7 2HB LYS 7 -1.356 -9.550 9.014 53 2HB LYS 7 1HB LYS 7 0.352 -9.670 9.495 54 1HG LYS 7 2HG LYS 7 0.624 -7.261 8.896 55 2HG LYS 7 1HG LYS 7 -1.097 -7.192 8.511 56 1HD LYS 7 2HD LYS 7 -1.701 -7.708 10.761 57 2HD LYS 7 1HD LYS 7 -0.016 -8.048 11.186 58 1HE LYS 7 2HE LYS 7 0.494 -5.615 10.552 59 2HE LYS 7 1HE LYS 7 -1.262 -5.358 10.518 60 1HZ LYS 7 3HZ LYS 7 -1.401 -6.238 12.773 61 2HZ LYS 7 2HZ LYS 7 0.284 -6.465 12.813 62 3HZ LYS 7 1HZ LYS 7 -0.364 -4.898 12.722 63 H GLU 8 H GLU 8 2.528 -10.138 7.524 64 HA GLU 8 HA GLU 8 3.909 -7.684 7.520 65 1HB GLU 8 2HB GLU 8 4.580 -10.479 6.631 66 2HB GLU 8 1HB GLU 8 5.739 -9.182 6.360 67 1HG GLU 8 2HG GLU 8 4.549 -9.955 9.041 68 2HG GLU 8 1HG GLU 8 6.189 -10.319 8.486 69 H GLN 9 H GLN 9 2.707 -9.589 4.782 70 HA GLN 9 HA GLN 9 3.941 -8.066 2.742 71 1HB GLN 9 2HB GLN 9 1.424 -9.731 2.809 72 2HB GLN 9 1HB GLN 9 2.107 -9.050 1.339 73 1HG GLN 9 2HG GLN 9 4.193 -10.285 1.697 74 2HG GLN 9 1HG GLN 9 3.538 -10.974 3.181 75 1HE2 GLN 9 1HE2 GLN 9 2.089 -12.773 2.983 76 2HE2 GLN 9 2HE2 GLN 9 1.623 -13.424 1.489 77 H GLN 10 H GLN 10 0.772 -7.742 4.382 78 HA GLN 10 HA GLN 10 0.025 -5.340 2.852 79 1HB GLN 10 2HB GLN 10 -1.452 -5.318 5.201 80 2HB GLN 10 1HB GLN 10 -2.007 -5.784 3.627 81 1HG GLN 10 2HG GLN 10 -0.676 -7.768 5.455 82 2HG GLN 10 1HG GLN 10 -2.384 -7.392 5.592 83 1HE2 GLN 10 1HE2 GLN 10 -3.727 -7.729 3.555 84 2HE2 GLN 10 2HE2 GLN 10 -3.240 -8.938 2.469 85 H ASN 11 H ASN 11 1.467 -5.960 6.051 86 HA ASN 11 HA ASN 11 1.418 -3.198 6.882 87 1HB ASN 11 2HB ASN 11 1.944 -5.401 8.206 88 2HB ASN 11 1HB ASN 11 3.589 -5.180 7.607 89 1HD2 ASN 11 1HD2 ASN 11 4.884 -3.536 8.587 90 2HD2 ASN 11 2HD2 ASN 11 4.321 -2.537 9.838 91 H ALA 12 H ALA 12 3.816 -5.202 5.137 92 HA ALA 12 HA ALA 12 5.784 -3.120 4.748 93 1HB ALA 12 3HB ALA 12 5.116 -5.784 3.480 94 2HB ALA 12 1HB ALA 12 6.524 -5.352 4.464 95 3HB ALA 12 2HB ALA 12 6.386 -4.751 2.806 96 H PHE 13 H PHE 13 3.141 -4.438 2.721 97 HA PHE 13 HA PHE 13 3.419 -2.796 0.404 98 1HB PHE 13 2HB PHE 13 1.886 -4.710 0.449 99 2HB PHE 13 1HB PHE 13 1.038 -4.061 1.844 100 HD1 PHE 13 HD1 PHE 13 2.113 -2.421 -1.346 101 HD2 PHE 13 HD2 PHE 13 -1.134 -3.606 1.192 102 HE1 PHE 13 HE1 PHE 13 0.509 -1.367 -2.895 103 HE2 PHE 13 HE2 PHE 13 -2.732 -2.543 -0.348 104 HZ PHE 13 HZ PHE 13 -1.914 -1.434 -2.379 105 H TYR 14 H TYR 14 1.355 -2.361 3.252 106 HA TYR 14 HA TYR 14 0.296 0.200 2.796 107 1HB TYR 14 2HB TYR 14 -0.329 -1.478 4.501 108 2HB TYR 14 1HB TYR 14 1.139 -1.084 5.394 109 HD1 TYR 14 HD1 TYR 14 -2.031 0.281 4.090 110 HD2 TYR 14 HD2 TYR 14 1.288 0.909 6.718 111 HE1 TYR 14 HE1 TYR 14 -3.223 2.049 5.117 112 HE2 TYR 14 HE2 TYR 14 0.085 2.803 7.755 113 HH TYR 14 HH TYR 14 -3.195 3.326 7.378 114 H GLU 15 H GLU 15 3.156 -0.661 4.837 115 HA GLU 15 HA GLU 15 3.951 2.005 5.440 116 1HB GLU 15 2HB GLU 15 5.483 -0.602 5.227 117 2HB GLU 15 1HB GLU 15 6.201 0.885 5.842 118 1HG GLU 15 2HG GLU 15 3.757 -0.503 7.007 119 2HG GLU 15 1HG GLU 15 5.373 -0.529 7.699 120 H ILE 16 H ILE 16 4.878 -0.142 2.680 121 HA ILE 16 HA ILE 16 6.755 1.626 1.426 122 HB ILE 16 HB ILE 16 4.905 -0.596 0.606 123 1HG1 ILE 16 2HG1 ILE 16 7.740 -0.398 -0.254 124 2HG1 ILE 16 1HG1 ILE 16 7.471 -0.446 1.485 125 1HG2 ILE 16 3HG2 ILE 16 6.287 1.203 -1.394 126 2HG2 ILE 16 2HG2 ILE 16 5.695 -0.417 -1.772 127 3HG2 ILE 16 1HG2 ILE 16 4.562 0.849 -1.296 128 1HD1 ILE 16 1HD1 ILE 16 5.897 -2.401 -0.074 129 2HD1 ILE 16 3HD1 ILE 16 7.657 -2.658 -0.081 130 3HD1 ILE 16 2HD1 ILE 16 6.780 -2.598 1.449 131 H LEU 17 H LEU 17 3.199 1.384 0.943 132 HA LEU 17 HA LEU 17 2.898 3.679 -0.785 133 1HB LEU 17 2HB LEU 17 0.964 2.415 1.178 134 2HB LEU 17 1HB LEU 17 0.514 3.531 -0.106 135 HG LEU 17 HG LEU 17 2.112 1.290 -1.080 136 1HD1 LEU 17 2HD1 LEU 17 0.273 0.617 0.880 137 2HD1 LEU 17 1HD1 LEU 17 -0.599 0.368 -0.644 138 3HD1 LEU 17 3HD1 LEU 17 0.932 -0.446 -0.349 139 1HD2 LEU 17 2HD2 LEU 17 0.475 3.031 -2.250 140 2HD2 LEU 17 1HD2 LEU 17 0.684 1.376 -2.855 141 3HD2 LEU 17 3HD2 LEU 17 -0.716 1.753 -1.829 142 H HIS 18 H HIS 18 2.763 3.382 2.777 143 HA HIS 18 HA HIS 18 2.048 6.218 3.158 144 1HB HIS 18 2HB HIS 18 2.532 3.826 4.952 145 2HB HIS 18 1HB HIS 18 2.240 5.433 5.614 146 HD1 HIS 18 HD1 HIS 18 -0.178 6.339 5.517 147 HD2 HIS 18 HD2 HIS 18 0.215 2.646 3.653 148 HE1 HIS 18 HE1 HIS 18 -2.515 5.444 5.006 149 H LEU 19 H LEU 19 5.065 4.746 2.564 150 HA LEU 19 HA LEU 19 6.693 6.031 4.585 151 1HB LEU 19 2HB LEU 19 7.106 4.605 1.988 152 2HB LEU 19 1HB LEU 19 8.425 5.637 2.539 153 HG LEU 19 HG LEU 19 7.127 3.492 4.252 154 1HD1 LEU 19 1HD1 LEU 19 9.533 3.427 2.439 155 2HD1 LEU 19 3HD1 LEU 19 9.467 2.398 3.873 156 3HD1 LEU 19 2HD1 LEU 19 8.243 2.238 2.610 157 1HD2 LEU 19 3HD2 LEU 19 8.882 5.668 4.852 158 2HD2 LEU 19 2HD2 LEU 19 8.281 4.415 5.936 159 3HD2 LEU 19 1HD2 LEU 19 9.780 4.164 5.047 160 HA PRO 20 HA PRO 20 6.168 10.169 3.036 161 1HB PRO 20 2HB PRO 20 8.056 11.381 4.609 162 2HB PRO 20 1HB PRO 20 6.447 10.901 5.185 163 1HG PRO 20 2HG PRO 20 9.060 9.494 5.482 164 2HG PRO 20 1HG PRO 20 7.767 9.733 6.670 165 1HD PRO 20 1HD PRO 20 8.089 7.404 5.360 166 2HD PRO 20 2HD PRO 20 6.485 8.015 5.828 167 H ASN 21 H ASN 21 9.244 8.426 2.707 168 HA ASN 21 HA ASN 21 10.144 10.588 0.827 169 1HB ASN 21 2HB ASN 21 11.655 8.706 2.639 170 2HB ASN 21 1HB ASN 21 12.449 9.658 1.387 171 1HD2 ASN 21 1HD2 ASN 21 11.400 9.765 4.644 172 2HD2 ASN 21 2HD2 ASN 21 11.495 11.443 4.866 173 H LEU 22 H LEU 22 8.559 7.806 0.498 174 HA LEU 22 HA LEU 22 10.346 6.538 -1.504 175 1HB LEU 22 2HB LEU 22 7.712 5.845 -0.197 176 2HB LEU 22 1HB LEU 22 8.186 5.033 -1.685 177 HG LEU 22 HG LEU 22 9.411 4.848 1.054 178 1HD1 LEU 22 1HD1 LEU 22 8.604 2.988 -1.175 179 2HD1 LEU 22 3HD1 LEU 22 9.676 2.435 0.119 180 3HD1 LEU 22 2HD1 LEU 22 8.047 3.006 0.499 181 1HD2 LEU 22 1HD2 LEU 22 10.888 4.455 -1.567 182 2HD2 LEU 22 3HD2 LEU 22 11.338 5.527 -0.224 183 3HD2 LEU 22 2HD2 LEU 22 11.424 3.769 -0.028 184 H ASN 23 H ASN 23 9.931 6.574 -3.685 185 HA ASN 23 HA ASN 23 7.850 8.531 -4.609 186 1HB ASN 23 2HB ASN 23 9.311 8.506 -6.737 187 2HB ASN 23 1HB ASN 23 9.980 9.284 -5.322 188 1HD2 ASN 23 1HD2 ASN 23 11.966 8.436 -4.490 189 2HD2 ASN 23 2HD2 ASN 23 12.723 7.053 -5.120 190 H GLU 24 H GLU 24 7.287 7.880 -7.083 191 HA GLU 24 HA GLU 24 5.709 5.480 -6.883 192 1HB GLU 24 2HB GLU 24 6.548 7.236 -9.214 193 2HB GLU 24 1HB GLU 24 5.393 5.914 -9.383 194 1HG GLU 24 2HG GLU 24 5.068 8.210 -7.417 195 2HG GLU 24 1HG GLU 24 4.302 8.152 -9.000 196 H GLU 25 H GLU 25 8.945 6.047 -8.308 197 HA GLU 25 HA GLU 25 9.191 3.476 -9.604 198 1HB GLU 25 2HB GLU 25 10.643 5.489 -9.963 199 2HB GLU 25 1HB GLU 25 11.323 5.250 -8.357 200 1HG GLU 25 2HG GLU 25 12.033 2.940 -9.076 201 2HG GLU 25 1HG GLU 25 11.512 3.349 -10.711 202 H GLN 26 H GLN 26 10.122 4.611 -6.325 203 HA GLN 26 HA GLN 26 11.098 2.002 -5.425 204 1HB GLN 26 2HB GLN 26 10.799 4.765 -4.423 205 2HB GLN 26 1HB GLN 26 10.683 3.518 -3.185 206 1HG GLN 26 2HG GLN 26 13.012 4.159 -3.402 207 2HG GLN 26 1HG GLN 26 12.815 2.530 -4.042 208 1HE2 GLN 26 1HE2 GLN 26 13.270 2.186 -6.285 209 2HE2 GLN 26 2HE2 GLN 26 13.793 3.424 -7.322 210 H ARG 27 H ARG 27 8.260 3.965 -4.456 211 HA ARG 27 HA ARG 27 7.009 2.129 -2.711 212 1HB ARG 27 2HB ARG 27 6.555 4.635 -3.474 213 2HB ARG 27 1HB ARG 27 5.424 3.868 -4.589 214 1HG ARG 27 2HG ARG 27 3.983 3.283 -2.962 215 2HG ARG 27 1HG ARG 27 5.250 2.995 -1.770 216 1HD ARG 27 2HD ARG 27 3.820 5.035 -1.257 217 2HD ARG 27 1HD ARG 27 5.541 5.413 -1.436 218 HE ARG 27 HE ARG 27 3.775 5.618 -3.829 219 1HH1 ARG 27 1HH1 ARG 27 5.212 7.107 -5.099 220 2HH1 ARG 27 2HH1 ARG 27 5.593 8.603 -4.315 221 1HH2 ARG 27 1HH2 ARG 27 4.436 7.576 -1.197 222 2HH2 ARG 27 2HH2 ARG 27 5.151 8.870 -2.098 223 H ASN 28 H ASN 28 6.324 2.609 -6.236 224 HA ASN 28 HA ASN 28 4.307 0.531 -6.389 225 1HB ASN 28 2HB ASN 28 5.970 1.756 -8.584 226 2HB ASN 28 1HB ASN 28 4.443 0.941 -8.795 227 1HD2 ASN 28 1HD2 ASN 28 4.531 3.459 -9.826 228 2HD2 ASN 28 2HD2 ASN 28 3.687 4.554 -8.852 229 H ALA 29 H ALA 29 7.798 0.620 -7.274 230 HA ALA 29 HA ALA 29 8.016 -1.995 -8.426 231 1HB ALA 29 1HB ALA 29 9.743 -0.222 -8.433 232 2HB ALA 29 2HB ALA 29 10.377 -1.755 -7.823 233 3HB ALA 29 3HB ALA 29 9.963 -0.461 -6.694 234 H PHE 30 H PHE 30 8.123 -0.870 -5.064 235 HA PHE 30 HA PHE 30 8.893 -3.314 -3.814 236 1HB PHE 30 2HB PHE 30 7.406 -0.816 -3.046 237 2HB PHE 30 1HB PHE 30 7.519 -2.150 -1.899 238 HD1 PHE 30 HD1 PHE 30 10.328 -3.067 -3.134 239 HD2 PHE 30 HD2 PHE 30 8.790 0.627 -1.582 240 HE1 PHE 30 HE1 PHE 30 12.586 -2.416 -2.477 241 HE2 PHE 30 HE2 PHE 30 11.081 1.284 -0.931 242 HZ PHE 30 HZ PHE 30 12.966 -0.287 -1.365 243 H ILE 31 H ILE 31 5.722 -1.991 -4.629 244 HA ILE 31 HA ILE 31 4.181 -4.157 -3.530 245 HB ILE 31 HB ILE 31 3.713 -2.083 -5.688 246 1HG1 ILE 31 2HG1 ILE 31 2.538 -2.219 -2.944 247 2HG1 ILE 31 1HG1 ILE 31 4.158 -1.582 -3.157 248 1HG2 ILE 31 2HG2 ILE 31 2.105 -4.370 -4.896 249 2HG2 ILE 31 1HG2 ILE 31 1.288 -2.832 -4.651 250 3HG2 ILE 31 3HG2 ILE 31 1.893 -3.260 -6.246 251 1HD1 ILE 31 1HD1 ILE 31 1.735 -0.586 -4.670 252 2HD1 ILE 31 3HD1 ILE 31 2.357 0.151 -3.179 253 3HD1 ILE 31 2HD1 ILE 31 3.367 0.140 -4.626 254 H GLN 32 H GLN 32 6.028 -3.814 -6.573 255 HA GLN 32 HA GLN 32 4.817 -6.135 -7.897 256 1HB GLN 32 2HB GLN 32 7.459 -4.666 -8.282 257 2HB GLN 32 1HB GLN 32 6.821 -5.878 -9.391 258 1HG GLN 32 2HG GLN 32 4.772 -4.467 -9.655 259 2HG GLN 32 1HG GLN 32 5.542 -3.223 -8.683 260 1HE2 GLN 32 1HE2 GLN 32 5.528 -4.770 -11.856 261 2HE2 GLN 32 2HE2 GLN 32 6.648 -3.716 -12.572 262 H SER 33 H SER 33 7.928 -5.576 -6.156 263 HA SER 33 HA SER 33 8.800 -8.331 -6.078 264 1HB SER 33 2HB SER 33 10.231 -7.340 -4.164 265 2HB SER 33 1HB SER 33 10.439 -6.675 -5.777 266 HG SER 33 HG SER 33 8.852 -5.610 -3.666 267 H LEU 34 H LEU 34 6.723 -6.413 -4.009 268 HA LEU 34 HA LEU 34 6.632 -8.268 -1.760 269 1HB LEU 34 2HB LEU 34 6.457 -5.769 -1.740 270 2HB LEU 34 1HB LEU 34 4.916 -5.896 -2.571 271 HG LEU 34 HG LEU 34 4.139 -7.309 -0.585 272 1HD1 LEU 34 3HD1 LEU 34 6.740 -6.215 0.469 273 2HD1 LEU 34 2HD1 LEU 34 5.430 -6.771 1.511 274 3HD1 LEU 34 1HD1 LEU 34 6.219 -7.899 0.406 275 1HD2 LEU 34 3HD2 LEU 34 3.661 -4.846 -1.015 276 2HD2 LEU 34 2HD2 LEU 34 3.577 -5.351 0.669 277 3HD2 LEU 34 1HD2 LEU 34 4.994 -4.489 0.082 278 H LYS 35 H LYS 35 4.310 -7.389 -4.408 279 HA LYS 35 HA LYS 35 2.227 -9.200 -3.555 280 1HB LYS 35 2HB LYS 35 2.837 -7.563 -5.994 281 2HB LYS 35 1HB LYS 35 1.641 -8.817 -6.160 282 1HG LYS 35 2HG LYS 35 0.997 -7.596 -3.759 283 2HG LYS 35 1HG LYS 35 1.385 -6.275 -4.857 284 1HD LYS 35 2HD LYS 35 -0.440 -6.677 -6.162 285 2HD LYS 35 1HD LYS 35 -0.283 -8.429 -6.011 286 1HE LYS 35 2HE LYS 35 -1.015 -7.017 -3.501 287 2HE LYS 35 1HE LYS 35 -2.253 -7.007 -4.764 288 1HZ LYS 35 3HZ LYS 35 -0.790 -9.420 -3.816 289 2HZ LYS 35 2HZ LYS 35 -2.381 -9.011 -3.385 290 3HZ LYS 35 1HZ LYS 35 -2.010 -9.396 -4.998 291 H ASP 36 H ASP 36 5.078 -9.661 -5.621 292 HA ASP 36 HA ASP 36 4.209 -12.356 -6.468 293 1HB ASP 36 2HB ASP 36 6.603 -10.576 -6.938 294 2HB ASP 36 1HB ASP 36 6.598 -12.254 -7.479 295 H ASP 37 H ASP 37 6.529 -10.954 -4.095 296 HA ASP 37 HA ASP 37 7.121 -13.753 -3.167 297 1HB ASP 37 2HB ASP 37 8.931 -12.182 -4.224 298 2HB ASP 37 1HB ASP 37 8.900 -11.379 -2.654 299 HA PRO 38 HA PRO 38 4.921 -12.115 0.457 300 1HB PRO 38 2HB PRO 38 4.591 -14.549 1.665 301 2HB PRO 38 1HB PRO 38 3.555 -13.972 0.342 302 1HG PRO 38 2HG PRO 38 5.867 -15.845 0.233 303 2HG PRO 38 1HG PRO 38 4.289 -15.949 -0.567 304 1HD PRO 38 1HD PRO 38 6.499 -15.110 -1.858 305 2HD PRO 38 2HD PRO 38 4.877 -14.483 -2.225 306 H SER 39 H SER 39 7.560 -14.564 0.661 307 HA SER 39 HA SER 39 8.259 -14.120 3.399 308 1HB SER 39 2HB SER 39 8.878 -16.083 2.039 309 2HB SER 39 1HB SER 39 9.952 -15.073 1.075 310 HG SER 39 HG SER 39 11.354 -15.046 2.672 311 H GLN 40 H GLN 40 9.374 -12.471 0.440 312 HA GLN 40 HA GLN 40 11.499 -10.988 1.813 313 1HB GLN 40 2HB GLN 40 10.406 -11.363 -0.897 314 2HB GLN 40 1HB GLN 40 10.973 -9.724 -0.595 315 1HG GLN 40 2HG GLN 40 12.912 -10.774 -1.342 316 2HG GLN 40 1HG GLN 40 13.079 -10.908 0.406 317 1HE2 GLN 40 1HE2 GLN 40 13.005 -12.737 -2.505 318 2HE2 GLN 40 2HE2 GLN 40 12.861 -14.275 -1.801 319 H SER 41 H SER 41 8.128 -10.580 1.935 320 HA SER 41 HA SER 41 7.722 -7.842 1.429 321 1HB SER 41 2HB SER 41 5.739 -8.131 2.883 322 2HB SER 41 1HB SER 41 5.963 -9.541 1.856 323 HG SER 41 HG SER 41 6.315 -10.706 3.581 324 H ALA 42 H ALA 42 8.740 -9.267 4.626 325 HA ALA 42 HA ALA 42 8.750 -6.761 6.045 326 1HB ALA 42 1HB ALA 42 10.570 -9.157 6.279 327 2HB ALA 42 2HB ALA 42 9.000 -8.989 7.076 328 3HB ALA 42 3HB ALA 42 10.340 -7.920 7.512 329 H ASN 43 H ASN 43 11.363 -8.493 4.298 330 HA ASN 43 HA ASN 43 13.479 -6.604 4.570 331 1HB ASN 43 2HB ASN 43 12.655 -8.768 2.707 332 2HB ASN 43 1HB ASN 43 13.836 -7.610 2.080 333 1HD2 ASN 43 1HD2 ASN 43 15.744 -7.190 3.772 334 2HD2 ASN 43 2HD2 ASN 43 16.334 -8.569 4.565 335 H LEU 44 H LEU 44 10.796 -6.880 2.259 336 HA LEU 44 HA LEU 44 11.552 -4.745 0.509 337 1HB LEU 44 2HB LEU 44 9.028 -6.212 1.174 338 2HB LEU 44 1HB LEU 44 9.017 -4.867 0.025 339 HG LEU 44 HG LEU 44 10.935 -7.188 -0.118 340 1HD1 LEU 44 3HD1 LEU 44 8.298 -7.425 -0.488 341 2HD1 LEU 44 2HD1 LEU 44 8.754 -6.850 -2.092 342 3HD1 LEU 44 1HD1 LEU 44 9.479 -8.326 -1.443 343 1HD2 LEU 44 2HD2 LEU 44 10.839 -4.567 -1.270 344 2HD2 LEU 44 3HD2 LEU 44 10.506 -5.766 -2.566 345 3HD2 LEU 44 1HD2 LEU 44 11.982 -5.884 -1.588 346 H LEU 45 H LEU 45 9.482 -4.854 3.409 347 HA LEU 45 HA LEU 45 8.909 -2.001 3.207 348 1HB LEU 45 2HB LEU 45 7.491 -3.333 4.542 349 2HB LEU 45 1HB LEU 45 8.833 -4.024 5.445 350 HG LEU 45 HG LEU 45 9.270 -1.934 6.543 351 1HD1 LEU 45 3HD1 LEU 45 7.333 -0.804 4.508 352 2HD1 LEU 45 2HD1 LEU 45 7.753 0.064 5.979 353 3HD1 LEU 45 1HD1 LEU 45 9.004 -0.318 4.803 354 1HD2 LEU 45 2HD2 LEU 45 7.290 -3.345 7.267 355 2HD2 LEU 45 1HD2 LEU 45 7.253 -1.661 7.795 356 3HD2 LEU 45 3HD2 LEU 45 6.260 -2.182 6.432 357 H ALA 46 H ALA 46 11.315 -3.971 5.042 358 HA ALA 46 HA ALA 46 12.738 -1.864 6.338 359 1HB ALA 46 2HB ALA 46 13.460 -4.539 5.093 360 2HB ALA 46 1HB ALA 46 14.728 -3.516 5.780 361 3HB ALA 46 3HB ALA 46 13.409 -4.094 6.810 362 H GLU 47 H GLU 47 13.235 -3.160 2.981 363 HA GLU 47 HA GLU 47 15.390 -1.313 2.432 364 1HB GLU 47 2HB GLU 47 15.099 -2.061 0.079 365 2HB GLU 47 1HB GLU 47 15.254 -3.395 1.210 366 1HG GLU 47 2HG GLU 47 12.738 -3.496 1.181 367 2HG GLU 47 1HG GLU 47 12.817 -2.413 -0.207 368 H ALA 48 H ALA 48 11.823 -1.247 1.993 369 HA ALA 48 HA ALA 48 11.750 1.278 0.601 370 1HB ALA 48 1HB ALA 48 10.024 -0.618 1.080 371 2HB ALA 48 3HB ALA 48 9.745 0.248 2.594 372 3HB ALA 48 2HB ALA 48 9.447 1.046 1.042 373 H LYS 49 H LYS 49 11.869 0.334 4.040 374 HA LYS 49 HA LYS 49 11.540 2.939 5.278 375 1HB LYS 49 2HB LYS 49 12.805 0.279 6.034 376 2HB LYS 49 1HB LYS 49 12.695 1.586 7.182 377 1HG LYS 49 2HG LYS 49 10.401 0.182 5.812 378 2HG LYS 49 1HG LYS 49 10.857 0.016 7.497 379 1HD LYS 49 2HD LYS 49 10.505 2.558 7.635 380 2HD LYS 49 1HD LYS 49 9.666 2.383 6.088 381 1HE LYS 49 2HE LYS 49 7.842 1.471 7.076 382 2HE LYS 49 1HE LYS 49 8.841 0.355 8.028 383 1HZ LYS 49 1HZ LYS 49 8.464 3.253 8.625 384 2HZ LYS 49 3HZ LYS 49 7.676 1.987 9.434 385 3HZ LYS 49 2HZ LYS 49 9.363 2.144 9.552 386 H LYS 50 H LYS 50 14.183 0.919 4.174 387 HA LYS 50 HA LYS 50 16.472 2.448 4.957 388 1HB LYS 50 2HB LYS 50 16.761 0.171 4.407 389 2HB LYS 50 1HB LYS 50 15.692 0.289 3.030 390 1HG LYS 50 2HG LYS 50 17.616 1.838 2.061 391 2HG LYS 50 1HG LYS 50 18.601 0.924 3.208 392 1HD LYS 50 2HD LYS 50 16.704 -0.414 1.239 393 2HD LYS 50 1HD LYS 50 18.410 -0.107 0.875 394 1HE LYS 50 2HE LYS 50 19.013 -1.406 2.970 395 2HE LYS 50 1HE LYS 50 17.300 -1.847 3.114 396 1HZ LYS 50 3HZ LYS 50 17.391 -2.697 0.823 397 2HZ LYS 50 2HZ LYS 50 19.056 -2.357 0.761 398 3HZ LYS 50 1HZ LYS 50 18.464 -3.524 1.843 399 H LEU 51 H LEU 51 14.425 2.371 2.030 400 HA LEU 51 HA LEU 51 15.920 4.384 0.540 401 1HB LEU 51 2HB LEU 51 13.379 2.840 0.380 402 2HB LEU 51 1HB LEU 51 13.396 4.358 -0.501 403 HG LEU 51 HG LEU 51 14.920 3.605 -2.037 404 1HD1 LEU 51 2HD1 LEU 51 16.054 1.985 0.223 405 2HD1 LEU 51 1HD1 LEU 51 16.457 1.575 -1.441 406 3HD1 LEU 51 3HD1 LEU 51 16.867 3.168 -0.801 407 1HD2 LEU 51 1HD2 LEU 51 12.983 1.738 -1.299 408 2HD2 LEU 51 3HD2 LEU 51 13.879 1.781 -2.820 409 3HD2 LEU 51 2HD2 LEU 51 14.471 0.800 -1.482 410 H ASN 52 H ASN 52 13.102 4.349 2.667 411 HA ASN 52 HA ASN 52 12.143 6.983 2.423 412 1HB ASN 52 2HB ASN 52 10.770 5.562 3.617 413 2HB ASN 52 1HB ASN 52 12.113 4.729 4.379 414 1HD2 ASN 52 1HD2 ASN 52 10.166 7.688 4.542 415 2HD2 ASN 52 2HD2 ASN 52 10.515 8.027 6.165 416 H ASP 53 H ASP 53 14.789 5.685 4.467 417 HA ASP 53 HA ASP 53 15.333 8.335 5.664 418 1HB ASP 53 2HB ASP 53 15.512 6.189 6.895 419 2HB ASP 53 1HB ASP 53 16.818 5.699 5.818 420 H ALA 54 H ALA 54 16.981 6.101 3.368 421 HA ALA 54 HA ALA 54 19.341 7.689 2.946 422 1HB ALA 54 3HB ALA 54 19.622 6.225 1.005 423 2HB ALA 54 1HB ALA 54 17.910 5.803 1.040 424 3HB ALA 54 2HB ALA 54 18.973 5.280 2.346 425 H GLN 55 H GLN 55 16.301 7.474 1.048 426 HA GLN 55 HA GLN 55 16.966 9.640 -0.774 427 1HB GLN 55 2HB GLN 55 14.335 8.327 -0.029 428 2HB GLN 55 1HB GLN 55 14.565 9.411 -1.398 429 1HG GLN 55 2HG GLN 55 16.288 7.851 -2.313 430 2HG GLN 55 1HG GLN 55 15.955 6.739 -0.986 431 1HE2 GLN 55 1HE2 GLN 55 13.233 6.634 -0.800 432 2HE2 GLN 55 2HE2 GLN 55 12.530 6.159 -2.270 433 H ALA 56 H ALA 56 15.556 9.474 2.453 434 HA ALA 56 HA ALA 56 14.047 11.864 2.607 435 1HB ALA 56 1HB ALA 56 15.408 11.595 5.047 436 2HB ALA 56 2HB ALA 56 15.303 9.952 4.412 437 3HB ALA 56 3HB ALA 56 13.839 10.905 4.645 438 HA PRO 57 HA PRO 57 16.965 15.121 2.435 439 1HB PRO 57 2HB PRO 57 15.685 17.002 3.958 440 2HB PRO 57 1HB PRO 57 15.160 16.562 2.322 441 1HG PRO 57 2HG PRO 57 14.093 15.667 4.949 442 2HG PRO 57 1HG PRO 57 13.221 16.120 3.474 443 1HD PRO 57 1HD PRO 57 13.640 13.544 4.212 444 2HD PRO 57 2HD PRO 57 13.510 14.054 2.516 445 H LYS 58 H LYS 58 18.721 15.897 3.669 446 HA LYS 58 HA LYS 58 18.744 15.291 6.608 447 1HB LYS 58 2HB LYS 58 20.849 14.620 4.517 448 2HB LYS 58 1HB LYS 58 21.064 14.400 6.252 449 1HG LYS 58 2HG LYS 58 19.070 12.885 6.265 450 2HG LYS 58 1HG LYS 58 18.980 13.040 4.510 451 1HD LYS 58 2HD LYS 58 21.374 12.203 4.416 452 2HD LYS 58 1HD LYS 58 21.233 11.829 6.134 453 1HE LYS 58 2HE LYS 58 19.153 10.797 4.200 454 2HE LYS 58 1HE LYS 58 20.688 9.935 4.402 455 1HZ LYS 58 1HZ LYS 58 20.307 9.953 6.821 456 2HZ LYS 58 3HZ LYS 58 18.793 10.684 6.577 457 3HZ LYS 58 2HZ LYS 58 19.083 9.116 5.993 458 H1 VAL 1 3H VAL 1 -9.739 -16.104 -9.252 459 H2 VAL 1 2H VAL 1 -9.953 -15.832 -7.588 460 H3 VAL 1 1H VAL 1 -11.294 -15.839 -8.634 461 HA VAL 1 HA VAL 1 -10.654 -13.803 -9.662 462 HB VAL 1 HB VAL 1 -10.295 -13.807 -6.633 463 1HG1 VAL 1 2HG1 VAL 1 -10.814 -11.520 -8.558 464 2HG1 VAL 1 1HG1 VAL 1 -11.067 -11.406 -6.815 465 3HG1 VAL 1 3HG1 VAL 1 -9.449 -11.695 -7.455 466 1HG2 VAL 1 2HG2 VAL 1 -12.673 -13.548 -8.486 467 2HG2 VAL 1 1HG2 VAL 1 -12.452 -14.662 -7.135 468 3HG2 VAL 1 3HG2 VAL 1 -12.728 -12.948 -6.828 469 H ASP 2 H ASP 2 -8.969 -12.480 -10.394 470 HA ASP 2 HA ASP 2 -6.207 -13.356 -9.912 471 1HB ASP 2 2HB ASP 2 -7.156 -12.564 -12.118 472 2HB ASP 2 1HB ASP 2 -7.272 -10.944 -11.430 473 H ASN 3 H ASN 3 -5.116 -12.683 -8.120 474 HA ASN 3 HA ASN 3 -5.700 -9.954 -7.024 475 1HB ASN 3 2HB ASN 3 -5.382 -10.913 -4.818 476 2HB ASN 3 1HB ASN 3 -6.492 -11.952 -5.698 477 1HD2 ASN 3 1HD2 ASN 3 -4.085 -12.250 -3.539 478 2HD2 ASN 3 2HD2 ASN 3 -3.346 -13.680 -4.075 479 H LYS 4 H LYS 4 -3.801 -10.061 -9.013 480 HA LYS 4 HA LYS 4 -1.248 -9.654 -7.490 481 1HB LYS 4 2HB LYS 4 -0.047 -10.763 -9.345 482 2HB LYS 4 1HB LYS 4 -1.228 -11.844 -8.613 483 1HG LYS 4 2HG LYS 4 -2.835 -11.224 -10.444 484 2HG LYS 4 1HG LYS 4 -1.543 -10.302 -11.209 485 1HD LYS 4 2HD LYS 4 -1.447 -12.395 -12.290 486 2HD LYS 4 1HD LYS 4 -0.176 -12.502 -11.070 487 1HE LYS 4 2HE LYS 4 -1.255 -14.166 -9.941 488 2HE LYS 4 1HE LYS 4 -2.824 -13.348 -10.072 489 1HZ LYS 4 3HZ LYS 4 -1.455 -14.777 -12.299 490 2HZ LYS 4 2HZ LYS 4 -2.746 -15.404 -11.391 491 3HZ LYS 4 1HZ LYS 4 -2.982 -14.037 -12.371 492 H PHE 5 H PHE 5 -3.272 -7.666 -8.535 493 HA PHE 5 HA PHE 5 -2.031 -6.318 -10.823 494 1HB PHE 5 2HB PHE 5 -4.235 -5.604 -8.864 495 2HB PHE 5 1HB PHE 5 -3.808 -4.635 -10.248 496 HD1 PHE 5 HD1 PHE 5 -5.860 -7.268 -9.077 497 HD2 PHE 5 HD2 PHE 5 -3.803 -5.868 -12.576 498 HE1 PHE 5 HE1 PHE 5 -7.363 -8.625 -10.504 499 HE2 PHE 5 HE2 PHE 5 -5.301 -7.231 -14.002 500 HZ PHE 5 HZ PHE 5 -7.085 -8.607 -12.967 501 H ASN 6 H ASN 6 0.155 -6.200 -9.640 502 HA ASN 6 HA ASN 6 0.574 -4.620 -7.293 503 1HB ASN 6 2HB ASN 6 2.959 -4.470 -8.218 504 2HB ASN 6 1HB ASN 6 2.313 -6.093 -8.006 505 1HD2 ASN 6 1HD2 ASN 6 3.030 -3.611 -10.513 506 2HD2 ASN 6 2HD2 ASN 6 3.041 -4.707 -11.807 507 H LYS 7 H LYS 7 0.442 -3.667 -10.683 508 HA LYS 7 HA LYS 7 1.293 -0.938 -10.403 509 1HB LYS 7 2HB LYS 7 1.024 -2.317 -12.521 510 2HB LYS 7 1HB LYS 7 -0.720 -2.107 -12.345 511 1HG LYS 7 2HG LYS 7 -0.405 0.363 -12.420 512 2HG LYS 7 1HG LYS 7 1.324 0.116 -12.675 513 1HD LYS 7 2HD LYS 7 0.787 -1.200 -14.733 514 2HD LYS 7 1HD LYS 7 -0.916 -0.806 -14.501 515 1HE LYS 7 2HE LYS 7 -0.306 1.639 -14.588 516 2HE LYS 7 1HE LYS 7 1.348 1.158 -15.011 517 1HZ LYS 7 1HZ LYS 7 0.467 -0.105 -16.886 518 2HZ LYS 7 3HZ LYS 7 -1.114 0.371 -16.491 519 3HZ LYS 7 2HZ LYS 7 0.016 1.529 -17.004 520 H GLU 8 H GLU 8 -1.825 -2.512 -10.062 521 HA GLU 8 HA GLU 8 -3.430 -0.152 -9.787 522 1HB GLU 8 2HB GLU 8 -3.645 -3.069 -9.338 523 2HB GLU 8 1HB GLU 8 -4.767 -2.089 -8.408 524 1HG GLU 8 2HG GLU 8 -5.153 -0.898 -10.739 525 2HG GLU 8 1HG GLU 8 -4.549 -2.436 -11.372 526 H LEU 9 H LEU 9 -1.539 -2.012 -7.433 527 HA LEU 9 HA LEU 9 -2.685 -0.642 -5.135 528 1HB LEU 9 2HB LEU 9 0.035 -1.909 -5.239 529 2HB LEU 9 1HB LEU 9 -1.013 -1.698 -3.889 530 HG LEU 9 HG LEU 9 -1.797 -3.451 -6.190 531 1HD1 LEU 9 1HD1 LEU 9 0.154 -3.882 -4.058 532 2HD1 LEU 9 3HD1 LEU 9 -1.161 -5.061 -3.987 533 3HD1 LEU 9 2HD1 LEU 9 -0.193 -4.907 -5.459 534 1HD2 LEU 9 3HD2 LEU 9 -3.611 -2.565 -4.726 535 2HD2 LEU 9 2HD2 LEU 9 -3.415 -4.314 -4.531 536 3HD2 LEU 9 1HD2 LEU 9 -2.766 -3.219 -3.317 537 H SER 10 H SER 10 -0.160 0.075 -7.434 538 HA SER 10 HA SER 10 1.322 1.997 -5.892 539 1HB SER 10 2HB SER 10 2.451 1.580 -7.827 540 2HB SER 10 1HB SER 10 1.018 1.023 -8.648 541 HG SER 10 HG SER 10 1.014 2.865 -9.647 542 H VAL 11 H VAL 11 -1.397 2.279 -8.230 543 HA VAL 11 HA VAL 11 -1.894 5.130 -7.658 544 HB VAL 11 HB VAL 11 -3.521 3.114 -9.256 545 1HG1 VAL 11 1HG1 VAL 11 -3.370 6.110 -9.124 546 2HG1 VAL 11 3HG1 VAL 11 -3.839 5.326 -10.633 547 3HG1 VAL 11 2HG1 VAL 11 -4.789 5.063 -9.171 548 1HG2 VAL 11 1HG2 VAL 11 -1.086 4.733 -10.081 549 2HG2 VAL 11 3HG2 VAL 11 -1.233 2.972 -10.062 550 3HG2 VAL 11 2HG2 VAL 11 -2.164 3.929 -11.222 551 H ALA 12 H ALA 12 -3.931 2.177 -7.406 552 HA ALA 12 HA ALA 12 -6.031 3.306 -5.833 553 1HB ALA 12 2HB ALA 12 -5.815 1.087 -7.198 554 2HB ALA 12 3HB ALA 12 -6.820 1.097 -5.745 555 3HB ALA 12 1HB ALA 12 -5.184 0.422 -5.681 556 H GLY 13 H GLY 13 -3.130 1.560 -4.872 557 1HA GLY 13 1HA GLY 13 -2.114 1.243 -2.808 558 2HA GLY 13 2HA GLY 13 -3.715 1.387 -2.093 559 H ARG 14 H ARG 14 -1.403 3.596 -3.745 560 HA ARG 14 HA ARG 14 -0.989 5.144 -1.384 561 1HB ARG 14 2HB ARG 14 0.493 5.140 -3.355 562 2HB ARG 14 1HB ARG 14 -0.720 6.068 -4.249 563 1HG ARG 14 2HG ARG 14 -0.363 7.988 -3.022 564 2HG ARG 14 1HG ARG 14 0.027 7.092 -1.555 565 1HD ARG 14 2HD ARG 14 1.985 8.313 -2.521 566 2HD ARG 14 1HD ARG 14 2.228 6.563 -2.404 567 HE ARG 14 HE ARG 14 2.051 6.400 -4.787 568 1HH1 ARG 14 1HH1 ARG 14 3.220 9.321 -4.382 569 2HH1 ARG 14 2HH1 ARG 14 2.324 10.149 -5.611 570 1HH2 ARG 14 1HH2 ARG 14 0.038 7.557 -6.060 571 2HH2 ARG 14 2HH2 ARG 14 0.511 9.143 -6.565 572 H GLU 15 H GLU 15 -3.499 5.590 -3.940 573 HA GLU 15 HA GLU 15 -4.367 8.190 -2.989 574 1HB GLU 15 2HB GLU 15 -5.633 5.970 -4.598 575 2HB GLU 15 1HB GLU 15 -6.529 7.434 -4.188 576 1HG GLU 15 2HG GLU 15 -4.712 8.800 -5.211 577 2HG GLU 15 1HG GLU 15 -3.900 7.313 -5.697 578 H ILE 16 H ILE 16 -5.327 4.843 -2.182 579 HA ILE 16 HA ILE 16 -7.351 5.501 -0.212 580 HB ILE 16 HB ILE 16 -5.597 3.067 -0.754 581 1HG1 ILE 16 2HG1 ILE 16 -8.570 3.418 -1.211 582 2HG1 ILE 16 1HG1 ILE 16 -7.393 3.890 -2.425 583 1HG2 ILE 16 2HG2 ILE 16 -7.831 3.466 1.248 584 2HG2 ILE 16 1HG2 ILE 16 -7.433 1.866 0.608 585 3HG2 ILE 16 3HG2 ILE 16 -6.227 2.782 1.520 586 1HD1 ILE 16 3HD1 ILE 16 -6.523 1.380 -1.875 587 2HD1 ILE 16 2HD1 ILE 16 -8.247 1.187 -1.555 588 3HD1 ILE 16 1HD1 ILE 16 -7.701 1.745 -3.138 589 H VAL 17 H VAL 17 -3.847 5.289 -0.209 590 HA VAL 17 HA VAL 17 -3.304 5.196 2.623 591 HB VAL 17 HB VAL 17 -1.834 5.793 0.074 592 1HG1 VAL 17 1HG1 VAL 17 -0.999 7.403 1.914 593 2HG1 VAL 17 3HG1 VAL 17 -0.338 5.949 2.659 594 3HG1 VAL 17 2HG1 VAL 17 0.187 6.430 1.043 595 1HG2 VAL 17 3HG2 VAL 17 -2.129 3.600 1.917 596 2HG2 VAL 17 2HG2 VAL 17 -1.455 3.626 0.273 597 3HG2 VAL 17 1HG2 VAL 17 -0.425 3.997 1.650 598 H THR 18 H THR 18 -3.738 7.920 0.298 599 HA THR 18 HA THR 18 -3.780 9.757 2.656 600 HB THR 18 HB THR 18 -1.508 9.546 1.641 601 HG1 THR 18 HG1 THR 18 -1.196 11.581 2.051 602 1HG2 THR 18 2HG2 THR 18 -2.865 9.617 -0.790 603 2HG2 THR 18 1HG2 THR 18 -2.104 11.205 -0.693 604 3HG2 THR 18 3HG2 THR 18 -1.120 9.745 -0.575 605 H LEU 19 H LEU 19 -6.153 8.943 0.972 606 HA LEU 19 HA LEU 19 -6.736 11.113 -0.880 607 1HB LEU 19 2HB LEU 19 -9.098 10.301 -0.588 608 2HB LEU 19 1HB LEU 19 -7.946 9.062 -1.039 609 HG LEU 19 HG LEU 19 -8.148 9.323 1.848 610 1HD1 LEU 19 3HD1 LEU 19 -10.618 8.902 0.175 611 2HD1 LEU 19 2HD1 LEU 19 -10.493 8.298 1.821 612 3HD1 LEU 19 1HD1 LEU 19 -10.379 10.028 1.512 613 1HD2 LEU 19 3HD2 LEU 19 -8.355 7.192 -0.274 614 2HD2 LEU 19 2HD2 LEU 19 -7.208 7.316 1.054 615 3HD2 LEU 19 1HD2 LEU 19 -8.869 6.821 1.370 616 HA PRO 20 HA PRO 20 -7.657 14.633 1.442 617 1HB PRO 20 2HB PRO 20 -10.223 15.394 0.804 618 2HB PRO 20 1HB PRO 20 -8.807 15.608 -0.246 619 1HG PRO 20 2HG PRO 20 -10.836 13.413 -0.249 620 2HG PRO 20 1HG PRO 20 -10.191 14.343 -1.614 621 1HD PRO 20 1HD PRO 20 -9.266 11.917 -1.118 622 2HD PRO 20 2HD PRO 20 -8.144 13.215 -1.586 623 H ASN 21 H ASN 21 -10.333 12.255 2.099 624 HA ASN 21 HA ASN 21 -10.498 13.572 4.821 625 1HB ASN 21 2HB ASN 21 -12.673 12.432 3.085 626 2HB ASN 21 1HB ASN 21 -12.926 12.976 4.730 627 1HD2 ASN 21 1HD2 ASN 21 -14.058 14.064 2.169 628 2HD2 ASN 21 2HD2 ASN 21 -13.623 15.709 2.151 629 H LEU 22 H LEU 22 -9.240 10.793 3.761 630 HA LEU 22 HA LEU 22 -10.802 8.900 5.420 631 1HB LEU 22 2HB LEU 22 -9.414 8.577 3.186 632 2HB LEU 22 1HB LEU 22 -8.113 8.284 4.327 633 HG LEU 22 HG LEU 22 -10.155 6.808 5.389 634 1HD1 LEU 22 2HD1 LEU 22 -10.314 6.647 2.369 635 2HD1 LEU 22 1HD1 LEU 22 -10.983 5.431 3.445 636 3HD1 LEU 22 3HD1 LEU 22 -11.618 7.075 3.473 637 1HD2 LEU 22 1HD2 LEU 22 -7.733 6.287 3.748 638 2HD2 LEU 22 3HD2 LEU 22 -8.141 5.720 5.375 639 3HD2 LEU 22 2HD2 LEU 22 -8.849 4.935 3.959 640 H ASN 23 H ASN 23 -9.871 7.740 7.207 641 HA ASN 23 HA ASN 23 -7.806 9.349 8.693 642 1HB ASN 23 2HB ASN 23 -8.696 8.165 10.717 643 2HB ASN 23 1HB ASN 23 -9.874 9.188 9.914 644 1HD2 ASN 23 1HD2 ASN 23 -10.025 6.538 11.588 645 2HD2 ASN 23 2HD2 ASN 23 -11.063 5.566 10.666 646 H ASP 24 H ASP 24 -6.057 8.286 9.719 647 HA ASP 24 HA ASP 24 -4.688 6.415 8.189 648 1HB ASP 24 2HB ASP 24 -3.073 6.325 10.019 649 2HB ASP 24 1HB ASP 24 -3.640 7.963 9.735 650 HA PRO 25 HA PRO 25 -5.799 2.744 11.005 651 1HB PRO 25 2HB PRO 25 -8.231 2.711 12.253 652 2HB PRO 25 1HB PRO 25 -6.750 3.307 13.025 653 1HG PRO 25 2HG PRO 25 -8.996 4.816 11.826 654 2HG PRO 25 1HG PRO 25 -8.003 5.199 13.238 655 1HD PRO 25 1HD PRO 25 -7.701 6.350 10.762 656 2HD PRO 25 2HD PRO 25 -6.435 6.256 11.994 657 H GLN 26 H GLN 26 -8.427 4.454 9.266 658 HA GLN 26 HA GLN 26 -9.738 2.010 8.406 659 1HB GLN 26 2HB GLN 26 -11.351 3.535 7.972 660 2HB GLN 26 1HB GLN 26 -10.257 4.783 8.547 661 1HG GLN 26 2HG GLN 26 -9.709 5.475 6.478 662 2HG GLN 26 1HG GLN 26 -9.924 3.892 5.736 663 1HE2 GLN 26 1HE2 GLN 26 -12.020 6.309 7.454 664 2HE2 GLN 26 2HE2 GLN 26 -13.318 6.135 6.378 665 H LYS 27 H LYS 27 -7.463 4.353 6.830 666 HA LYS 27 HA LYS 27 -7.263 2.980 4.333 667 1HB LYS 27 2HB LYS 27 -4.873 3.995 4.341 668 2HB LYS 27 1HB LYS 27 -6.265 5.072 4.270 669 1HG LYS 27 2HG LYS 27 -6.008 5.305 6.803 670 2HG LYS 27 1HG LYS 27 -4.461 4.503 6.614 671 1HD LYS 27 2HD LYS 27 -3.900 6.780 6.464 672 2HD LYS 27 1HD LYS 27 -4.017 6.280 4.779 673 1HE LYS 27 2HE LYS 27 -5.816 7.624 4.383 674 2HE LYS 27 1HE LYS 27 -6.594 7.178 5.911 675 1HZ LYS 27 1HZ LYS 27 -4.978 8.582 7.082 676 2HZ LYS 27 3HZ LYS 27 -4.304 9.054 5.597 677 3HZ LYS 27 2HZ LYS 27 -5.902 9.483 5.979 678 H LYS 28 H LYS 28 -5.615 2.429 7.433 679 HA LYS 28 HA LYS 28 -3.624 0.577 6.562 680 1HB LYS 28 2HB LYS 28 -5.174 1.116 9.096 681 2HB LYS 28 1HB LYS 28 -4.354 -0.439 9.000 682 1HG LYS 28 2HG LYS 28 -2.627 1.649 8.077 683 2HG LYS 28 1HG LYS 28 -3.215 2.055 9.672 684 1HD LYS 28 2HD LYS 28 -1.310 0.784 10.142 685 2HD LYS 28 1HD LYS 28 -2.579 -0.440 10.208 686 1HE LYS 28 2HE LYS 28 -1.885 -1.450 8.271 687 2HE LYS 28 1HE LYS 28 -1.365 0.072 7.524 688 1HZ LYS 28 2HZ LYS 28 0.495 0.141 9.110 689 2HZ LYS 28 1HZ LYS 28 0.019 -1.363 9.745 690 3HZ LYS 28 3HZ LYS 28 0.558 -1.252 8.141 691 H ALA 29 H ALA 29 -6.938 -0.140 7.879 692 HA ALA 29 HA ALA 29 -6.995 -2.919 7.125 693 1HB ALA 29 3HB ALA 29 -9.445 -2.633 7.474 694 2HB ALA 29 1HB ALA 29 -9.226 -0.884 7.472 695 3HB ALA 29 2HB ALA 29 -8.513 -1.860 8.756 696 H PHE 30 H PHE 30 -7.796 0.038 5.346 697 HA PHE 30 HA PHE 30 -9.154 -1.109 3.088 698 1HB PHE 30 2HB PHE 30 -8.287 1.421 4.073 699 2HB PHE 30 1HB PHE 30 -7.614 1.265 2.465 700 HD1 PHE 30 HD1 PHE 30 -9.222 0.484 0.594 701 HD2 PHE 30 HD2 PHE 30 -10.524 2.084 4.364 702 HE1 PHE 30 HE1 PHE 30 -11.424 1.028 -0.384 703 HE2 PHE 30 HE2 PHE 30 -12.717 2.626 3.375 704 HZ PHE 30 HZ PHE 30 -13.169 2.102 1.009 705 H ILE 31 H ILE 31 -5.738 -0.043 3.410 706 HA ILE 31 HA ILE 31 -4.851 -1.009 0.847 707 HB ILE 31 HB ILE 31 -3.614 -0.272 3.492 708 1HG1 ILE 31 2HG1 ILE 31 -3.928 0.904 0.768 709 2HG1 ILE 31 1HG1 ILE 31 -3.953 1.698 2.353 710 1HG2 ILE 31 3HG2 ILE 31 -2.369 -2.259 2.160 711 2HG2 ILE 31 2HG2 ILE 31 -1.761 -0.890 1.215 712 3HG2 ILE 31 1HG2 ILE 31 -1.480 -0.968 2.957 713 1HD1 ILE 31 2HD1 ILE 31 -1.397 0.537 1.341 714 2HD1 ILE 31 1HD1 ILE 31 -1.966 2.053 0.694 715 3HD1 ILE 31 3HD1 ILE 31 -1.670 1.901 2.429 716 H PHE 32 H PHE 32 -4.960 -2.461 4.110 717 HA PHE 32 HA PHE 32 -3.568 -4.866 3.484 718 1HB PHE 32 2HB PHE 32 -5.515 -3.964 5.602 719 2HB PHE 32 1HB PHE 32 -5.006 -5.648 5.553 720 HD1 PHE 32 HD1 PHE 32 -3.120 -2.306 4.971 721 HD2 PHE 32 HD2 PHE 32 -3.313 -6.098 7.188 722 HE1 PHE 32 HE1 PHE 32 -1.060 -1.787 6.129 723 HE2 PHE 32 HE2 PHE 32 -1.203 -5.483 8.269 724 HZ PHE 32 HZ PHE 32 -0.080 -3.391 7.721 725 H SER 33 H SER 33 -7.063 -3.968 3.074 726 HA SER 33 HA SER 33 -7.754 -6.672 2.095 727 1HB SER 33 2HB SER 33 -9.926 -5.633 1.606 728 2HB SER 33 1HB SER 33 -9.389 -5.144 3.203 729 HG SER 33 HG SER 33 -9.247 -3.158 2.536 730 H LEU 34 H LEU 34 -6.755 -3.546 0.708 731 HA LEU 34 HA LEU 34 -7.146 -4.031 -2.101 732 1HB LEU 34 2HB LEU 34 -6.626 -1.838 -1.152 733 2HB LEU 34 1HB LEU 34 -5.115 -2.420 -0.498 734 HG LEU 34 HG LEU 34 -4.522 -2.904 -2.960 735 1HD1 LEU 34 2HD1 LEU 34 -7.135 -1.708 -3.249 736 2HD1 LEU 34 1HD1 LEU 34 -5.921 -0.723 -4.071 737 3HD1 LEU 34 3HD1 LEU 34 -6.100 -2.431 -4.483 738 1HD2 LEU 34 3HD2 LEU 34 -3.736 -0.971 -1.364 739 2HD2 LEU 34 2HD2 LEU 34 -3.450 -0.808 -3.100 740 3HD2 LEU 34 1HD2 LEU 34 -4.808 0.026 -2.349 741 H TRP 35 H TRP 35 -4.490 -4.811 0.128 742 HA TRP 35 HA TRP 35 -2.667 -5.949 -1.792 743 1HB TRP 35 2HB TRP 35 -2.158 -5.094 0.494 744 2HB TRP 35 1HB TRP 35 -2.962 -6.525 1.163 745 HD1 TRP 35 HD1 TRP 35 -1.603 -8.675 1.266 746 HE1 TRP 35 HE1 TRP 35 0.671 -9.430 0.367 747 HE3 TRP 35 HE3 TRP 35 -0.473 -4.713 -1.705 748 HZ2 TRP 35 HZ2 TRP 35 2.718 -8.472 -1.362 749 HZ3 TRP 35 HZ3 TRP 35 1.640 -4.673 -2.986 750 HH2 TRP 35 HH2 TRP 35 3.222 -6.528 -2.810 751 H ASP 36 H ASP 36 -5.119 -7.436 0.410 752 HA ASP 36 HA ASP 36 -4.560 -10.177 -0.118 753 1HB ASP 36 2HB ASP 36 -7.027 -8.647 0.747 754 2HB ASP 36 1HB ASP 36 -7.057 -10.397 0.574 755 H ASP 37 H ASP 37 -6.947 -7.978 -1.656 756 HA ASP 37 HA ASP 37 -6.768 -9.676 -4.064 757 1HB ASP 37 2HB ASP 37 -9.103 -9.321 -2.290 758 2HB ASP 37 1HB ASP 37 -9.451 -9.107 -4.002 759 HA PRO 38 HA PRO 38 -6.484 -5.240 -5.207 760 1HB PRO 38 2HB PRO 38 -4.780 -5.650 -7.280 761 2HB PRO 38 1HB PRO 38 -4.244 -5.427 -5.609 762 1HG PRO 38 2HG PRO 38 -4.638 -7.970 -7.134 763 2HG PRO 38 1HG PRO 38 -3.290 -7.495 -6.091 764 1HD PRO 38 1HD PRO 38 -5.223 -9.129 -5.220 765 2HD PRO 38 2HD PRO 38 -4.477 -7.927 -4.145 766 H SER 39 H SER 39 -7.857 -8.057 -6.591 767 HA SER 39 HA SER 39 -8.521 -7.182 -9.257 768 1HB SER 39 2HB SER 39 -8.940 -9.409 -7.674 769 2HB SER 39 1HB SER 39 -10.547 -8.702 -7.710 770 HG SER 39 HG SER 39 -9.042 -9.847 -9.738 771 H GLN 40 H GLN 40 -9.824 -6.590 -6.011 772 HA GLN 40 HA GLN 40 -12.046 -4.850 -6.950 773 1HB GLN 40 2HB GLN 40 -11.150 -5.143 -4.090 774 2HB GLN 40 1HB GLN 40 -12.780 -4.944 -4.709 775 1HG GLN 40 2HG GLN 40 -11.084 -7.450 -4.723 776 2HG GLN 40 1HG GLN 40 -12.567 -7.173 -3.826 777 1HE2 GLN 40 1HE2 GLN 40 -11.791 -9.190 -6.048 778 2HE2 GLN 40 2HE2 GLN 40 -13.054 -9.051 -7.177 779 H SER 41 H SER 41 -8.797 -4.335 -6.823 780 HA SER 41 HA SER 41 -8.203 -2.202 -5.109 781 1HB SER 41 2HB SER 41 -6.584 -3.432 -6.367 782 2HB SER 41 1HB SER 41 -7.270 -2.876 -7.885 783 HG SER 41 HG SER 41 -6.300 -1.007 -7.639 784 H ALA 42 H ALA 42 -9.599 -2.036 -8.427 785 HA ALA 42 HA ALA 42 -9.650 0.836 -8.652 786 1HB ALA 42 1HB ALA 42 -11.497 -1.300 -9.797 787 2HB ALA 42 3HB ALA 42 -11.352 0.350 -10.404 788 3HB ALA 42 2HB ALA 42 -9.986 -0.757 -10.527 789 H ASN 43 H ASN 43 -12.023 -1.547 -7.421 790 HA ASN 43 HA ASN 43 -14.033 0.340 -6.627 791 1HB ASN 43 2HB ASN 43 -14.301 -2.135 -7.064 792 2HB ASN 43 1HB ASN 43 -13.459 -2.434 -5.544 793 1HD2 ASN 43 1HD2 ASN 43 -14.634 -2.111 -3.571 794 2HD2 ASN 43 2HD2 ASN 43 -16.274 -1.674 -3.537 795 H LEU 44 H LEU 44 -11.135 -1.013 -5.008 796 HA LEU 44 HA LEU 44 -11.751 -0.180 -2.320 797 1HB LEU 44 2HB LEU 44 -9.460 -1.155 -3.916 798 2HB LEU 44 1HB LEU 44 -9.026 -0.235 -2.479 799 HG LEU 44 HG LEU 44 -11.183 -2.210 -2.081 800 1HD1 LEU 44 3HD1 LEU 44 -8.654 -2.961 -3.344 801 2HD1 LEU 44 2HD1 LEU 44 -8.902 -3.779 -1.795 802 3HD1 LEU 44 1HD1 LEU 44 -10.106 -3.932 -3.076 803 1HD2 LEU 44 3HD2 LEU 44 -8.765 -1.110 -0.667 804 2HD2 LEU 44 2HD2 LEU 44 -10.453 -1.166 -0.139 805 3HD2 LEU 44 1HD2 LEU 44 -9.469 -2.637 -0.113 806 H LEU 45 H LEU 45 -9.791 1.295 -4.830 807 HA LEU 45 HA LEU 45 -9.001 3.690 -3.536 808 1HB LEU 45 2HB LEU 45 -8.003 3.007 -5.620 809 2HB LEU 45 1HB LEU 45 -9.569 2.932 -6.421 810 HG LEU 45 HG LEU 45 -9.793 5.313 -6.412 811 1HD1 LEU 45 3HD1 LEU 45 -7.641 5.141 -4.347 812 2HD1 LEU 45 2HD1 LEU 45 -7.683 6.575 -5.380 813 3HD1 LEU 45 1HD1 LEU 45 -9.086 6.157 -4.396 814 1HD2 LEU 45 3HD2 LEU 45 -8.205 4.289 -8.081 815 2HD2 LEU 45 2HD2 LEU 45 -7.892 5.990 -7.737 816 3HD2 LEU 45 1HD2 LEU 45 -6.878 4.743 -7.009 817 H ALA 46 H ALA 46 -11.866 2.956 -5.540 818 HA ALA 46 HA ALA 46 -13.143 5.530 -5.325 819 1HB ALA 46 3HB ALA 46 -15.167 4.051 -5.907 820 2HB ALA 46 2HB ALA 46 -13.797 3.945 -7.016 821 3HB ALA 46 1HB ALA 46 -14.056 2.684 -5.809 822 H GLU 47 H GLU 47 -13.451 2.479 -3.473 823 HA GLU 47 HA GLU 47 -15.439 3.226 -1.608 824 1HB GLU 47 2HB GLU 47 -14.225 0.957 -2.146 825 2HB GLU 47 1HB GLU 47 -13.068 1.473 -0.916 826 1HG GLU 47 2HG GLU 47 -14.761 0.124 0.174 827 2HG GLU 47 1HG GLU 47 -15.030 1.797 0.653 828 H ALA 48 H ALA 48 -11.946 3.788 -1.641 829 HA ALA 48 HA ALA 48 -11.653 4.842 1.029 830 1HB ALA 48 2HB ALA 48 -9.545 4.484 0.239 831 2HB ALA 48 3HB ALA 48 -9.694 6.013 -0.629 832 3HB ALA 48 1HB ALA 48 -10.099 4.483 -1.441 833 H LYS 49 H LYS 49 -11.987 6.447 -2.175 834 HA LYS 49 HA LYS 49 -12.133 9.153 -1.218 835 1HB LYS 49 2HB LYS 49 -13.243 7.794 -3.699 836 2HB LYS 49 1HB LYS 49 -13.142 9.541 -3.492 837 1HG LYS 49 2HG LYS 49 -10.679 9.347 -3.208 838 2HG LYS 49 1HG LYS 49 -10.799 7.608 -3.480 839 1HD LYS 49 2HD LYS 49 -11.911 8.145 -5.705 840 2HD LYS 49 1HD LYS 49 -11.452 9.828 -5.434 841 1HE LYS 49 2HE LYS 49 -9.048 8.710 -4.992 842 2HE LYS 49 1HE LYS 49 -9.720 7.473 -6.071 843 1HZ LYS 49 2HZ LYS 49 -10.327 9.215 -7.643 844 2HZ LYS 49 1HZ LYS 49 -9.667 10.402 -6.617 845 3HZ LYS 49 3HZ LYS 49 -8.655 9.245 -7.336 846 H LYS 50 H LYS 50 -14.727 6.818 -2.051 847 HA LYS 50 HA LYS 50 -16.964 8.519 -1.430 848 1HB LYS 50 2HB LYS 50 -16.618 5.499 -1.458 849 2HB LYS 50 1HB LYS 50 -18.180 6.314 -1.385 850 1HG LYS 50 2HG LYS 50 -17.660 7.476 -3.521 851 2HG LYS 50 1HG LYS 50 -16.134 6.609 -3.613 852 1HD LYS 50 2HD LYS 50 -18.888 5.329 -3.595 853 2HD LYS 50 1HD LYS 50 -17.854 5.531 -5.009 854 1HE LYS 50 2HE LYS 50 -16.760 3.610 -4.528 855 2HE LYS 50 1HE LYS 50 -16.351 4.218 -2.916 856 1HZ LYS 50 2HZ LYS 50 -18.999 3.082 -3.652 857 2HZ LYS 50 1HZ LYS 50 -17.775 2.218 -2.853 858 3HZ LYS 50 3HZ LYS 50 -18.493 3.558 -2.100 859 H LEU 51 H LEU 51 -15.115 6.181 0.571 860 HA LEU 51 HA LEU 51 -16.783 6.442 2.917 861 1HB LEU 51 2HB LEU 51 -15.116 4.598 2.268 862 2HB LEU 51 1HB LEU 51 -13.842 5.671 2.810 863 HG LEU 51 HG LEU 51 -14.397 5.388 5.045 864 1HD1 LEU 51 2HD1 LEU 51 -17.255 4.943 4.152 865 2HD1 LEU 51 1HD1 LEU 51 -16.720 4.700 5.815 866 3HD1 LEU 51 3HD1 LEU 51 -16.618 6.300 5.082 867 1HD2 LEU 51 3HD2 LEU 51 -15.258 2.952 3.527 868 2HD2 LEU 51 2HD2 LEU 51 -13.875 3.161 4.599 869 3HD2 LEU 51 1HD2 LEU 51 -15.492 2.985 5.273 870 H ASN 52 H ASN 52 -13.874 8.191 1.754 871 HA ASN 52 HA ASN 52 -13.384 9.818 4.065 872 1HB ASN 52 2HB ASN 52 -11.775 10.640 2.690 873 2HB ASN 52 1HB ASN 52 -12.291 9.398 1.589 874 1HD2 ASN 52 1HD2 ASN 52 -11.532 10.733 -0.253 875 2HD2 ASN 52 2HD2 ASN 52 -12.443 12.063 -0.774 876 H ASP 53 H ASP 53 -15.648 10.135 1.341 877 HA ASP 53 HA ASP 53 -16.550 12.782 1.818 878 1HB ASP 53 2HB ASP 53 -16.894 11.237 -0.192 879 2HB ASP 53 1HB ASP 53 -18.185 10.472 0.731 880 H ALA 54 H ALA 54 -17.480 9.672 3.267 881 HA ALA 54 HA ALA 54 -19.925 10.530 4.556 882 1HB ALA 54 2HB ALA 54 -18.823 8.182 4.012 883 2HB ALA 54 1HB ALA 54 -18.120 8.375 5.618 884 3HB ALA 54 3HB ALA 54 -19.874 8.359 5.419 885 H GLN 55 H GLN 55 -16.507 10.453 5.555 886 HA GLN 55 HA GLN 55 -17.004 11.370 8.293 887 1HB GLN 55 2HB GLN 55 -14.591 10.984 6.502 888 2HB GLN 55 1HB GLN 55 -14.442 11.522 8.166 889 1HG GLN 55 2HG GLN 55 -15.490 9.486 8.985 890 2HG GLN 55 1HG GLN 55 -15.835 8.961 7.333 891 1HE2 GLN 55 1HE2 GLN 55 -13.555 9.305 5.947 892 2HE2 GLN 55 2HE2 GLN 55 -12.238 8.486 6.658 893 H ALA 56 H ALA 56 -16.014 12.811 5.190 894 HA ALA 56 HA ALA 56 -16.598 15.546 6.203 895 1HB ALA 56 1HB ALA 56 -14.354 15.547 6.756 896 2HB ALA 56 2HB ALA 56 -14.204 15.976 5.050 897 3HB ALA 56 3HB ALA 56 -13.971 14.303 5.564 898 HA PRO 57 HA PRO 57 -17.879 15.949 1.943 899 1HB PRO 57 2HB PRO 57 -17.718 18.659 1.609 900 2HB PRO 57 1HB PRO 57 -19.004 17.879 2.552 901 1HG PRO 57 2HG PRO 57 -16.529 19.233 3.483 902 2HG PRO 57 1HG PRO 57 -18.160 19.271 4.170 903 1HD PRO 57 1HD PRO 57 -16.136 17.751 5.183 904 2HD PRO 57 2HD PRO 57 -17.854 17.320 5.333 905 H LYS 58 H LYS 58 -16.853 15.996 -0.087 906 HA LYS 58 HA LYS 58 -13.940 16.120 -0.168 907 1HB LYS 58 2HB LYS 58 -16.119 15.810 -2.255 908 2HB LYS 58 1HB LYS 58 -14.406 15.769 -2.662 909 1HG LYS 58 2HG LYS 58 -14.094 13.891 -1.056 910 2HG LYS 58 1HG LYS 58 -15.829 13.902 -0.740 911 1HD LYS 58 2HD LYS 58 -16.198 13.557 -3.217 912 2HD LYS 58 1HD LYS 58 -14.458 13.324 -3.380 913 1HE LYS 58 2HE LYS 58 -14.723 11.148 -2.805 914 2HE LYS 58 1HE LYS 58 -15.332 11.662 -1.220 915 1HZ LYS 58 1HZ LYS 58 -17.522 12.043 -2.297 916 2HZ LYS 58 3HZ LYS 58 -16.911 11.357 -3.726 917 3HZ LYS 58 2HZ LYS 58 -17.041 10.415 -2.319 No H/Q in entry = 917 Start of MODEL 39 1 H1 VAL 1 3H VAL 1 1.445 -23.268 12.678 2 H2 VAL 1 2H VAL 1 1.539 -24.817 11.984 3 H3 VAL 1 1H VAL 1 2.956 -23.966 12.360 4 HA VAL 1 HA VAL 1 2.706 -23.768 10.027 5 HB VAL 1 HB VAL 1 0.471 -22.789 9.178 6 1HG1 VAL 1 1HG1 VAL 1 1.242 -25.201 9.010 7 2HG1 VAL 1 3HG1 VAL 1 0.264 -25.530 10.440 8 3HG1 VAL 1 2HG1 VAL 1 -0.503 -24.959 8.959 9 1HG2 VAL 1 2HG2 VAL 1 -0.321 -22.132 11.511 10 2HG2 VAL 1 1HG2 VAL 1 -1.491 -23.035 10.549 11 3HG2 VAL 1 3HG2 VAL 1 -0.579 -23.848 11.821 12 H ASP 2 H ASP 2 3.780 -21.960 9.345 13 HA ASP 2 HA ASP 2 3.668 -19.494 10.969 14 1HB ASP 2 2HB ASP 2 5.796 -20.508 10.166 15 2HB ASP 2 1HB ASP 2 5.282 -20.244 8.501 16 H ASN 3 H ASN 3 2.026 -18.086 10.529 17 HA ASN 3 HA ASN 3 1.274 -17.589 7.660 18 1HB ASN 3 2HB ASN 3 -0.315 -17.629 10.239 19 2HB ASN 3 1HB ASN 3 -0.952 -16.920 8.755 20 1HD2 ASN 3 1HD2 ASN 3 -0.281 -19.950 10.388 21 2HD2 ASN 3 2HD2 ASN 3 -0.846 -20.961 9.146 22 H LYS 4 H LYS 4 3.233 -16.185 9.790 23 HA LYS 4 HA LYS 4 2.187 -13.547 10.251 24 1HB LYS 4 2HB LYS 4 4.536 -12.993 10.757 25 2HB LYS 4 1HB LYS 4 4.106 -14.547 11.466 26 1HG LYS 4 2HG LYS 4 5.151 -15.672 9.473 27 2HG LYS 4 1HG LYS 4 5.683 -14.090 8.912 28 1HD LYS 4 2HD LYS 4 6.355 -14.957 11.706 29 2HD LYS 4 1HD LYS 4 7.303 -15.580 10.356 30 1HE LYS 4 2HE LYS 4 7.424 -13.043 9.628 31 2HE LYS 4 1HE LYS 4 7.052 -12.744 11.336 32 1HZ LYS 4 3HZ LYS 4 8.872 -14.229 11.954 33 2HZ LYS 4 2HZ LYS 4 9.244 -14.483 10.314 34 3HZ LYS 4 1HZ LYS 4 9.443 -12.944 11.006 35 H PHE 5 H PHE 5 4.075 -14.909 7.534 36 HA PHE 5 HA PHE 5 4.716 -12.541 6.148 37 1HB PHE 5 2HB PHE 5 4.063 -15.329 5.159 38 2HB PHE 5 1HB PHE 5 4.781 -14.083 4.147 39 HD1 PHE 5 HD1 PHE 5 6.330 -13.092 6.944 40 HD2 PHE 5 HD2 PHE 5 6.143 -16.651 4.532 41 HE1 PHE 5 HE1 PHE 5 8.579 -13.751 7.736 42 HE2 PHE 5 HE2 PHE 5 8.391 -17.306 5.340 43 HZ PHE 5 HZ PHE 5 9.607 -15.857 6.939 44 H ASN 6 H ASN 6 1.608 -14.264 6.278 45 HA ASN 6 HA ASN 6 0.299 -13.205 3.998 46 1HB ASN 6 2HB ASN 6 -0.694 -13.853 6.795 47 2HB ASN 6 1HB ASN 6 -1.774 -13.504 5.448 48 1HD2 ASN 6 1HD2 ASN 6 -1.299 -14.963 3.396 49 2HD2 ASN 6 2HD2 ASN 6 -0.929 -16.588 3.716 50 H LYS 7 H LYS 7 0.535 -11.743 7.307 51 HA LYS 7 HA LYS 7 -0.592 -9.223 6.223 52 1HB LYS 7 2HB LYS 7 -1.447 -10.084 8.351 53 2HB LYS 7 1HB LYS 7 0.177 -9.978 9.049 54 1HG LYS 7 2HG LYS 7 -0.771 -7.507 7.758 55 2HG LYS 7 1HG LYS 7 -1.755 -7.999 9.131 56 1HD LYS 7 2HD LYS 7 1.242 -7.533 9.140 57 2HD LYS 7 1HD LYS 7 0.019 -6.487 9.850 58 1HE LYS 7 2HE LYS 7 0.181 -7.667 11.779 59 2HE LYS 7 1HE LYS 7 -0.402 -9.107 10.923 60 1HZ LYS 7 1HZ LYS 7 1.876 -9.492 10.127 61 2HZ LYS 7 3HZ LYS 7 2.421 -8.149 11.012 62 3HZ LYS 7 2HZ LYS 7 1.804 -9.507 11.823 63 H GLU 8 H GLU 8 2.592 -10.561 6.761 64 HA GLU 8 HA GLU 8 3.939 -8.080 7.422 65 1HB GLU 8 2HB GLU 8 4.824 -10.676 6.122 66 2HB GLU 8 1HB GLU 8 5.933 -9.333 6.378 67 1HG GLU 8 2HG GLU 8 4.359 -10.762 8.539 68 2HG GLU 8 1HG GLU 8 6.090 -10.935 8.222 69 H GLN 9 H GLN 9 3.056 -9.759 4.425 70 HA GLN 9 HA GLN 9 4.178 -7.901 2.558 71 1HB GLN 9 2HB GLN 9 1.737 -9.702 2.410 72 2HB GLN 9 1HB GLN 9 2.501 -8.921 1.031 73 1HG GLN 9 2HG GLN 9 4.518 -10.206 1.330 74 2HG GLN 9 1HG GLN 9 3.909 -10.900 2.834 75 1HE2 GLN 9 1HE2 GLN 9 2.516 -12.732 2.666 76 2HE2 GLN 9 2HE2 GLN 9 1.991 -13.372 1.187 77 H GLN 10 H GLN 10 1.105 -8.158 4.304 78 HA GLN 10 HA GLN 10 -0.340 -5.948 3.147 79 1HB GLN 10 2HB GLN 10 -0.647 -7.972 5.080 80 2HB GLN 10 1HB GLN 10 -0.881 -6.474 5.940 81 1HG GLN 10 2HG GLN 10 -2.995 -6.569 5.162 82 2HG GLN 10 1HG GLN 10 -2.302 -6.029 3.647 83 1HE2 GLN 10 1HE2 GLN 10 -2.483 -9.216 5.392 84 2HE2 GLN 10 2HE2 GLN 10 -3.031 -10.078 4.038 85 H ASN 11 H ASN 11 1.630 -6.206 6.122 86 HA ASN 11 HA ASN 11 1.403 -3.423 6.854 87 1HB ASN 11 2HB ASN 11 2.026 -5.472 8.289 88 2HB ASN 11 1HB ASN 11 3.636 -5.358 7.573 89 1HD2 ASN 11 1HD2 ASN 11 5.056 -3.755 8.418 90 2HD2 ASN 11 2HD2 ASN 11 4.602 -2.628 9.604 91 H ALA 12 H ALA 12 3.937 -5.323 5.168 92 HA ALA 12 HA ALA 12 5.780 -3.159 4.753 93 1HB ALA 12 1HB ALA 12 5.210 -5.821 3.444 94 2HB ALA 12 2HB ALA 12 6.601 -5.352 4.434 95 3HB ALA 12 3HB ALA 12 6.441 -4.733 2.785 96 H PHE 13 H PHE 13 3.100 -4.471 2.785 97 HA PHE 13 HA PHE 13 3.353 -2.788 0.482 98 1HB PHE 13 2HB PHE 13 1.876 -4.728 0.472 99 2HB PHE 13 1HB PHE 13 1.011 -4.150 1.888 100 HD1 PHE 13 HD1 PHE 13 2.027 -2.525 -1.333 101 HD2 PHE 13 HD2 PHE 13 -1.155 -3.565 1.341 102 HE1 PHE 13 HE1 PHE 13 0.403 -1.427 -2.823 103 HE2 PHE 13 HE2 PHE 13 -2.773 -2.454 -0.145 104 HZ PHE 13 HZ PHE 13 -1.995 -1.385 -2.216 105 H TYR 14 H TYR 14 1.245 -2.465 3.351 106 HA TYR 14 HA TYR 14 0.204 0.117 2.902 107 1HB TYR 14 2HB TYR 14 -0.482 -1.548 4.584 108 2HB TYR 14 1HB TYR 14 0.987 -1.201 5.499 109 HD1 TYR 14 HD1 TYR 14 1.196 0.785 6.812 110 HD2 TYR 14 HD2 TYR 14 -2.172 0.279 4.216 111 HE1 TYR 14 HE1 TYR 14 0.059 2.700 7.879 112 HE2 TYR 14 HE2 TYR 14 -3.292 2.083 5.274 113 HH TYR 14 HH TYR 14 -3.216 3.325 7.538 114 H GLU 15 H GLU 15 3.064 -0.771 4.934 115 HA GLU 15 HA GLU 15 3.873 1.876 5.592 116 1HB GLU 15 2HB GLU 15 5.409 -0.723 5.289 117 2HB GLU 15 1HB GLU 15 6.129 0.747 5.946 118 1HG GLU 15 2HG GLU 15 3.726 -0.730 7.083 119 2HG GLU 15 1HG GLU 15 5.339 -0.683 7.780 120 H ILE 16 H ILE 16 4.765 -0.197 2.774 121 HA ILE 16 HA ILE 16 6.643 1.588 1.545 122 HB ILE 16 HB ILE 16 4.756 -0.589 0.685 123 1HG1 ILE 16 2HG1 ILE 16 7.693 -0.262 0.137 124 2HG1 ILE 16 1HG1 ILE 16 7.130 -0.726 1.737 125 1HG2 ILE 16 3HG2 ILE 16 6.220 1.218 -1.255 126 2HG2 ILE 16 2HG2 ILE 16 5.664 -0.406 -1.674 127 3HG2 ILE 16 1HG2 ILE 16 4.496 0.838 -1.231 128 1HD1 ILE 16 3HD1 ILE 16 5.979 -2.225 -0.551 129 2HD1 ILE 16 2HD1 ILE 16 7.693 -2.522 -0.172 130 3HD1 ILE 16 1HD1 ILE 16 6.455 -2.788 1.056 131 H LEU 17 H LEU 17 3.105 1.332 1.013 132 HA LEU 17 HA LEU 17 2.801 3.650 -0.665 133 1HB LEU 17 2HB LEU 17 0.860 2.395 1.294 134 2HB LEU 17 1HB LEU 17 0.425 3.487 -0.015 135 HG LEU 17 HG LEU 17 2.041 1.242 -0.941 136 1HD1 LEU 17 1HD1 LEU 17 0.225 0.577 1.035 137 2HD1 LEU 17 3HD1 LEU 17 -0.667 0.308 -0.466 138 3HD1 LEU 17 2HD1 LEU 17 0.875 -0.499 -0.191 139 1HD2 LEU 17 3HD2 LEU 17 0.431 2.946 -2.164 140 2HD2 LEU 17 2HD2 LEU 17 0.586 1.262 -2.715 141 3HD2 LEU 17 1HD2 LEU 17 -0.793 1.725 -1.693 142 H HIS 18 H HIS 18 2.703 3.313 2.893 143 HA HIS 18 HA HIS 18 2.037 6.164 3.302 144 1HB HIS 18 2HB HIS 18 2.483 3.758 5.090 145 2HB HIS 18 1HB HIS 18 2.203 5.367 5.746 146 HD1 HIS 18 HD1 HIS 18 -0.208 6.296 5.642 147 HD2 HIS 18 HD2 HIS 18 0.165 2.601 3.780 148 HE1 HIS 18 HE1 HIS 18 -2.547 5.414 5.124 149 H LEU 19 H LEU 19 5.000 4.639 2.639 150 HA LEU 19 HA LEU 19 6.705 5.810 4.660 151 1HB LEU 19 2HB LEU 19 7.008 4.449 2.021 152 2HB LEU 19 1HB LEU 19 8.352 5.478 2.508 153 HG LEU 19 HG LEU 19 7.166 3.267 4.225 154 1HD1 LEU 19 1HD1 LEU 19 9.661 3.342 2.508 155 2HD1 LEU 19 3HD1 LEU 19 9.388 2.130 3.757 156 3HD1 LEU 19 2HD1 LEU 19 8.309 2.224 2.364 157 1HD2 LEU 19 2HD2 LEU 19 8.870 5.482 4.846 158 2HD2 LEU 19 1HD2 LEU 19 8.335 4.180 5.906 159 3HD2 LEU 19 3HD2 LEU 19 9.818 4.003 4.971 160 HA PRO 20 HA PRO 20 6.169 10.005 3.256 161 1HB PRO 20 2HB PRO 20 8.063 11.161 4.865 162 2HB PRO 20 1HB PRO 20 6.451 10.673 5.425 163 1HG PRO 20 2HG PRO 20 9.054 9.248 5.688 164 2HG PRO 20 1HG PRO 20 7.757 9.454 6.877 165 1HD PRO 20 1HD PRO 20 8.080 7.165 5.494 166 2HD PRO 20 2HD PRO 20 6.478 7.761 5.980 167 H ASN 21 H ASN 21 9.177 8.208 2.826 168 HA ASN 21 HA ASN 21 10.106 10.392 0.989 169 1HB ASN 21 2HB ASN 21 11.578 8.518 2.829 170 2HB ASN 21 1HB ASN 21 12.404 9.405 1.551 171 1HD2 ASN 21 1HD2 ASN 21 11.882 9.632 4.790 172 2HD2 ASN 21 2HD2 ASN 21 11.800 11.316 4.966 173 H LEU 22 H LEU 22 8.524 7.593 0.692 174 HA LEU 22 HA LEU 22 10.283 6.312 -1.321 175 1HB LEU 22 2HB LEU 22 7.729 5.665 0.110 176 2HB LEU 22 1HB LEU 22 7.930 4.975 -1.491 177 HG LEU 22 HG LEU 22 9.280 4.280 1.049 178 1HD1 LEU 22 2HD1 LEU 22 8.627 2.912 -1.562 179 2HD1 LEU 22 1HD1 LEU 22 9.532 2.104 -0.274 180 3HD1 LEU 22 3HD1 LEU 22 7.876 2.652 0.015 181 1HD2 LEU 22 3HD2 LEU 22 10.827 4.373 -1.558 182 2HD2 LEU 22 2HD2 LEU 22 11.227 5.235 -0.049 183 3HD2 LEU 22 1HD2 LEU 22 11.330 3.463 -0.126 184 H ASN 23 H ASN 23 10.125 6.816 -3.441 185 HA ASN 23 HA ASN 23 8.010 8.728 -4.289 186 1HB ASN 23 2HB ASN 23 9.355 8.657 -6.483 187 2HB ASN 23 1HB ASN 23 10.150 9.349 -5.088 188 1HD2 ASN 23 1HD2 ASN 23 12.123 8.366 -4.407 189 2HD2 ASN 23 2HD2 ASN 23 12.748 6.952 -5.105 190 H GLU 24 H GLU 24 7.255 8.190 -6.706 191 HA GLU 24 HA GLU 24 5.532 5.898 -6.491 192 1HB GLU 24 2HB GLU 24 6.363 7.725 -8.767 193 2HB GLU 24 1HB GLU 24 5.219 6.406 -9.015 194 1HG GLU 24 2HG GLU 24 3.697 8.036 -8.460 195 2HG GLU 24 1HG GLU 24 4.100 7.514 -6.826 196 H GLU 25 H GLU 25 8.693 6.329 -8.150 197 HA GLU 25 HA GLU 25 8.654 3.784 -9.492 198 1HB GLU 25 2HB GLU 25 10.188 5.695 -9.988 199 2HB GLU 25 1HB GLU 25 11.000 5.419 -8.449 200 1HG GLU 25 2HG GLU 25 11.499 3.063 -9.239 201 2HG GLU 25 1HG GLU 25 10.895 3.542 -10.824 202 H GLN 26 H GLN 26 9.905 4.749 -6.272 203 HA GLN 26 HA GLN 26 10.865 2.079 -5.568 204 1HB GLN 26 2HB GLN 26 10.675 4.775 -4.378 205 2HB GLN 26 1HB GLN 26 10.550 3.453 -3.218 206 1HG GLN 26 2HG GLN 26 12.895 4.052 -3.460 207 2HG GLN 26 1HG GLN 26 12.633 2.461 -4.166 208 1HE2 GLN 26 1HE2 GLN 26 12.868 2.240 -6.492 209 2HE2 GLN 26 2HE2 GLN 26 13.472 3.497 -7.458 210 H ARG 27 H ARG 27 8.108 4.034 -4.383 211 HA ARG 27 HA ARG 27 6.872 2.099 -2.730 212 1HB ARG 27 2HB ARG 27 6.451 4.668 -3.348 213 2HB ARG 27 1HB ARG 27 5.248 3.970 -4.432 214 1HG ARG 27 2HG ARG 27 3.909 3.263 -2.751 215 2HG ARG 27 1HG ARG 27 5.245 3.006 -1.629 216 1HD ARG 27 2HD ARG 27 3.724 5.001 -1.070 217 2HD ARG 27 1HD ARG 27 5.445 5.399 -1.216 218 HE ARG 27 HE ARG 27 3.726 5.631 -3.631 219 1HH1 ARG 27 1HH1 ARG 27 5.158 7.202 -4.807 220 2HH1 ARG 27 2HH1 ARG 27 5.454 8.688 -3.973 221 1HH2 ARG 27 1HH2 ARG 27 4.221 7.536 -0.930 222 2HH2 ARG 27 2HH2 ARG 27 4.919 8.880 -1.768 223 H ASN 28 H ASN 28 6.286 2.726 -6.263 224 HA ASN 28 HA ASN 28 4.088 0.829 -6.516 225 1HB ASN 28 2HB ASN 28 5.886 2.161 -8.533 226 2HB ASN 28 1HB ASN 28 4.539 1.184 -8.999 227 1HD2 ASN 28 1HD2 ASN 28 4.707 3.840 -6.471 228 2HD2 ASN 28 2HD2 ASN 28 3.493 4.747 -7.203 229 H ALA 29 H ALA 29 7.503 0.757 -7.668 230 HA ALA 29 HA ALA 29 7.506 -1.906 -8.715 231 1HB ALA 29 1HB ALA 29 9.231 -0.198 -9.122 232 2HB ALA 29 2HB ALA 29 9.958 -1.670 -8.480 233 3HB ALA 29 3HB ALA 29 9.712 -0.275 -7.428 234 H PHE 30 H PHE 30 7.932 -0.683 -5.425 235 HA PHE 30 HA PHE 30 8.948 -3.041 -4.150 236 1HB PHE 30 2HB PHE 30 7.505 -0.528 -3.429 237 2HB PHE 30 1HB PHE 30 7.500 -1.833 -2.239 238 HD1 PHE 30 HD1 PHE 30 10.234 -1.097 -4.723 239 HD2 PHE 30 HD2 PHE 30 8.953 -1.063 -0.644 240 HE1 PHE 30 HE1 PHE 30 12.564 -0.653 -3.984 241 HE2 PHE 30 HE2 PHE 30 11.225 -0.611 0.045 242 HZ PHE 30 HZ PHE 30 13.038 -0.468 -1.579 243 H ILE 31 H ILE 31 5.663 -1.875 -4.764 244 HA ILE 31 HA ILE 31 4.250 -4.056 -3.498 245 HB ILE 31 HB ILE 31 3.584 -2.014 -5.647 246 1HG1 ILE 31 2HG1 ILE 31 2.675 -2.168 -2.794 247 2HG1 ILE 31 1HG1 ILE 31 4.202 -1.411 -3.207 248 1HG2 ILE 31 3HG2 ILE 31 2.119 -4.344 -4.752 249 2HG2 ILE 31 2HG2 ILE 31 1.269 -2.841 -4.411 250 3HG2 ILE 31 1HG2 ILE 31 1.763 -3.218 -6.054 251 1HD1 ILE 31 2HD1 ILE 31 1.590 -0.661 -4.519 252 2HD1 ILE 31 1HD1 ILE 31 2.214 0.137 -3.059 253 3HD1 ILE 31 3HD1 ILE 31 3.144 0.223 -4.559 254 H GLN 32 H GLN 32 5.831 -3.672 -6.689 255 HA GLN 32 HA GLN 32 4.622 -6.048 -7.890 256 1HB GLN 32 2HB GLN 32 7.243 -4.620 -8.494 257 2HB GLN 32 1HB GLN 32 6.421 -5.752 -9.560 258 1HG GLN 32 2HG GLN 32 4.409 -4.167 -9.452 259 2HG GLN 32 1HG GLN 32 5.498 -2.999 -8.716 260 1HE2 GLN 32 1HE2 GLN 32 4.472 -4.344 -11.736 261 2HE2 GLN 32 2HE2 GLN 32 5.634 -3.584 -12.709 262 H SER 33 H SER 33 7.771 -5.389 -6.251 263 HA SER 33 HA SER 33 8.708 -8.136 -6.256 264 1HB SER 33 2HB SER 33 10.313 -7.187 -4.551 265 2HB SER 33 1HB SER 33 10.267 -6.325 -6.084 266 HG SER 33 HG SER 33 10.107 -4.786 -4.533 267 H LEU 34 H LEU 34 6.702 -6.252 -4.078 268 HA LEU 34 HA LEU 34 6.755 -8.125 -1.844 269 1HB LEU 34 2HB LEU 34 6.470 -5.644 -1.756 270 2HB LEU 34 1HB LEU 34 4.928 -5.813 -2.579 271 HG LEU 34 HG LEU 34 4.212 -7.299 -0.629 272 1HD1 LEU 34 2HD1 LEU 34 6.788 -6.175 0.448 273 2HD1 LEU 34 1HD1 LEU 34 5.485 -6.746 1.493 274 3HD1 LEU 34 3HD1 LEU 34 6.278 -7.864 0.383 275 1HD2 LEU 34 1HD2 LEU 34 3.634 -4.851 -0.980 276 2HD2 LEU 34 3HD2 LEU 34 3.586 -5.402 0.692 277 3HD2 LEU 34 2HD2 LEU 34 4.960 -4.469 0.114 278 H LYS 35 H LYS 35 4.384 -7.378 -4.463 279 HA LYS 35 HA LYS 35 2.372 -9.259 -3.569 280 1HB LYS 35 2HB LYS 35 2.909 -7.569 -5.977 281 2HB LYS 35 1HB LYS 35 1.800 -8.892 -6.196 282 1HG LYS 35 2HG LYS 35 1.007 -7.778 -3.790 283 2HG LYS 35 1HG LYS 35 1.360 -6.400 -4.832 284 1HD LYS 35 2HD LYS 35 -0.330 -6.910 -6.302 285 2HD LYS 35 1HD LYS 35 -0.176 -8.648 -6.042 286 1HE LYS 35 2HE LYS 35 -1.047 -7.171 -3.636 287 2HE LYS 35 1HE LYS 35 -2.199 -7.101 -4.979 288 1HZ LYS 35 1HZ LYS 35 -0.920 -9.591 -3.960 289 2HZ LYS 35 3HZ LYS 35 -2.502 -9.101 -3.602 290 3HZ LYS 35 2HZ LYS 35 -2.080 -9.494 -5.199 291 H ASP 36 H ASP 36 5.161 -9.561 -5.767 292 HA ASP 36 HA ASP 36 4.423 -12.312 -6.553 293 1HB ASP 36 2HB ASP 36 6.668 -10.385 -7.166 294 2HB ASP 36 1HB ASP 36 6.724 -12.058 -7.717 295 H ASP 37 H ASP 37 6.667 -10.755 -4.238 296 HA ASP 37 HA ASP 37 7.609 -13.490 -3.416 297 1HB ASP 37 2HB ASP 37 9.185 -11.636 -4.427 298 2HB ASP 37 1HB ASP 37 9.091 -10.941 -2.811 299 HA PRO 38 HA PRO 38 5.135 -12.111 0.171 300 1HB PRO 38 2HB PRO 38 4.788 -14.627 1.196 301 2HB PRO 38 1HB PRO 38 3.797 -13.965 -0.120 302 1HG PRO 38 2HG PRO 38 6.141 -15.798 -0.274 303 2HG PRO 38 1HG PRO 38 4.593 -15.871 -1.134 304 1HD PRO 38 1HD PRO 38 6.820 -14.917 -2.294 305 2HD PRO 38 2HD PRO 38 5.204 -14.267 -2.656 306 H SER 39 H SER 39 7.828 -14.503 0.331 307 HA SER 39 HA SER 39 8.357 -14.171 3.147 308 1HB SER 39 2HB SER 39 10.408 -15.426 2.607 309 2HB SER 39 1HB SER 39 9.018 -16.122 1.783 310 HG SER 39 HG SER 39 11.198 -14.690 0.765 311 H GLN 40 H GLN 40 9.564 -12.360 0.313 312 HA GLN 40 HA GLN 40 11.614 -10.972 1.917 313 1HB GLN 40 2HB GLN 40 11.412 -11.615 -0.702 314 2HB GLN 40 1HB GLN 40 10.747 -9.981 -0.766 315 1HG GLN 40 2HG GLN 40 13.051 -9.631 -1.073 316 2HG GLN 40 1HG GLN 40 12.832 -9.324 0.648 317 1HE2 GLN 40 1HE2 GLN 40 13.911 -10.735 2.136 318 2HE2 GLN 40 2HE2 GLN 40 14.867 -12.045 1.641 319 H SER 41 H SER 41 8.301 -10.639 1.972 320 HA SER 41 HA SER 41 7.769 -7.923 1.435 321 1HB SER 41 2HB SER 41 5.825 -8.290 2.927 322 2HB SER 41 1HB SER 41 6.082 -9.659 1.857 323 HG SER 41 HG SER 41 6.425 -10.860 3.549 324 H ALA 42 H ALA 42 8.830 -9.320 4.633 325 HA ALA 42 HA ALA 42 8.792 -6.786 6.028 326 1HB ALA 42 3HB ALA 42 10.615 -9.179 6.299 327 2HB ALA 42 1HB ALA 42 9.069 -8.963 7.127 328 3HB ALA 42 2HB ALA 42 10.429 -7.901 7.500 329 H ASN 43 H ASN 43 11.383 -8.481 4.216 330 HA ASN 43 HA ASN 43 13.494 -6.574 4.474 331 1HB ASN 43 2HB ASN 43 12.747 -8.852 2.804 332 2HB ASN 43 1HB ASN 43 13.604 -7.609 1.879 333 1HD2 ASN 43 1HD2 ASN 43 13.981 -8.883 5.271 334 2HD2 ASN 43 2HD2 ASN 43 15.644 -9.174 5.118 335 H LEU 44 H LEU 44 10.713 -6.820 2.277 336 HA LEU 44 HA LEU 44 11.434 -4.683 0.504 337 1HB LEU 44 2HB LEU 44 8.908 -6.122 1.232 338 2HB LEU 44 1HB LEU 44 8.891 -4.775 0.088 339 HG LEU 44 HG LEU 44 10.757 -7.132 -0.123 340 1HD1 LEU 44 3HD1 LEU 44 8.167 -7.432 -0.355 341 2HD1 LEU 44 2HD1 LEU 44 8.428 -6.676 -1.927 342 3HD1 LEU 44 1HD1 LEU 44 9.257 -8.182 -1.522 343 1HD2 LEU 44 1HD2 LEU 44 10.726 -4.526 -1.254 344 2HD2 LEU 44 3HD2 LEU 44 11.740 -5.917 -1.704 345 3HD2 LEU 44 2HD2 LEU 44 10.198 -5.667 -2.541 346 H LEU 45 H LEU 45 9.454 -4.813 3.482 347 HA LEU 45 HA LEU 45 8.899 -1.951 3.335 348 1HB LEU 45 2HB LEU 45 7.502 -3.242 4.719 349 2HB LEU 45 1HB LEU 45 8.856 -4.023 5.527 350 HG LEU 45 HG LEU 45 9.435 -1.980 6.677 351 1HD1 LEU 45 2HD1 LEU 45 7.306 -0.681 4.944 352 2HD1 LEU 45 1HD1 LEU 45 8.077 0.110 6.322 353 3HD1 LEU 45 3HD1 LEU 45 9.037 -0.344 4.912 354 1HD2 LEU 45 2HD2 LEU 45 7.528 -3.353 7.533 355 2HD2 LEU 45 1HD2 LEU 45 7.452 -1.659 8.025 356 3HD2 LEU 45 3HD2 LEU 45 6.421 -2.249 6.719 357 H ALA 46 H ALA 46 11.359 -3.964 5.054 358 HA ALA 46 HA ALA 46 12.869 -1.892 6.307 359 1HB ALA 46 1HB ALA 46 13.508 -4.549 4.982 360 2HB ALA 46 3HB ALA 46 14.808 -3.550 5.647 361 3HB ALA 46 2HB ALA 46 13.521 -4.143 6.711 362 H GLU 47 H GLU 47 13.202 -3.147 2.918 363 HA GLU 47 HA GLU 47 15.349 -1.317 2.290 364 1HB GLU 47 2HB GLU 47 14.952 -2.031 -0.042 365 2HB GLU 47 1HB GLU 47 15.052 -3.405 1.049 366 1HG GLU 47 2HG GLU 47 12.617 -3.507 1.084 367 2HG GLU 47 1HG GLU 47 12.560 -2.176 -0.059 368 H ALA 48 H ALA 48 11.759 -1.215 2.018 369 HA ALA 48 HA ALA 48 11.641 1.325 0.645 370 1HB ALA 48 1HB ALA 48 9.927 -0.600 1.258 371 2HB ALA 48 3HB ALA 48 9.671 0.375 2.707 372 3HB ALA 48 2HB ALA 48 9.358 1.063 1.103 373 H LYS 49 H LYS 49 11.881 0.360 4.073 374 HA LYS 49 HA LYS 49 11.633 2.947 5.339 375 1HB LYS 49 2HB LYS 49 12.897 0.264 6.001 376 2HB LYS 49 1HB LYS 49 12.815 1.545 7.181 377 1HG LYS 49 2HG LYS 49 10.476 0.190 5.828 378 2HG LYS 49 1HG LYS 49 10.968 -0.034 7.495 379 1HD LYS 49 2HD LYS 49 10.082 2.587 6.296 380 2HD LYS 49 1HD LYS 49 9.047 1.511 7.226 381 1HE LYS 49 2HE LYS 49 9.905 2.236 9.185 382 2HE LYS 49 1HE LYS 49 11.563 2.019 8.596 383 1HZ LYS 49 1HZ LYS 49 9.785 4.302 7.882 384 2HZ LYS 49 3HZ LYS 49 11.051 4.374 9.008 385 3HZ LYS 49 2HZ LYS 49 11.393 4.088 7.370 386 H LYS 50 H LYS 50 14.210 0.913 4.100 387 HA LYS 50 HA LYS 50 16.538 2.430 4.799 388 1HB LYS 50 2HB LYS 50 16.796 0.154 4.231 389 2HB LYS 50 1HB LYS 50 15.681 0.281 2.892 390 1HG LYS 50 2HG LYS 50 17.585 1.845 1.883 391 2HG LYS 50 1HG LYS 50 18.595 0.887 2.969 392 1HD LYS 50 2HD LYS 50 16.603 -0.373 1.044 393 2HD LYS 50 1HD LYS 50 18.296 -0.082 0.618 394 1HE LYS 50 2HE LYS 50 18.972 -1.446 2.644 395 2HE LYS 50 1HE LYS 50 17.255 -1.856 2.866 396 1HZ LYS 50 2HZ LYS 50 17.208 -2.672 0.571 397 2HZ LYS 50 1HZ LYS 50 18.866 -2.336 0.403 398 3HZ LYS 50 3HZ LYS 50 18.348 -3.521 1.498 399 H LEU 51 H LEU 51 14.388 2.368 1.936 400 HA LEU 51 HA LEU 51 15.827 4.395 0.412 401 1HB LEU 51 2HB LEU 51 13.237 2.908 0.343 402 2HB LEU 51 1HB LEU 51 13.288 4.416 -0.553 403 HG LEU 51 HG LEU 51 14.573 3.524 -2.190 404 1HD1 LEU 51 3HD1 LEU 51 16.045 2.103 0.017 405 2HD1 LEU 51 2HD1 LEU 51 16.349 1.733 -1.680 406 3HD1 LEU 51 1HD1 LEU 51 16.655 3.360 -1.060 407 1HD2 LEU 51 1HD2 LEU 51 13.253 1.310 -0.777 408 2HD2 LEU 51 3HD2 LEU 51 13.118 1.828 -2.456 409 3HD2 LEU 51 2HD2 LEU 51 14.496 0.854 -1.947 410 H ASN 52 H ASN 52 13.134 4.332 2.679 411 HA ASN 52 HA ASN 52 12.179 6.975 2.500 412 1HB ASN 52 2HB ASN 52 10.829 5.530 3.699 413 2HB ASN 52 1HB ASN 52 12.188 4.698 4.430 414 1HD2 ASN 52 1HD2 ASN 52 10.288 7.699 4.628 415 2HD2 ASN 52 2HD2 ASN 52 10.644 8.005 6.258 416 H ASP 53 H ASP 53 14.781 5.597 4.557 417 HA ASP 53 HA ASP 53 15.449 8.199 5.753 418 1HB ASP 53 2HB ASP 53 16.823 5.493 5.766 419 2HB ASP 53 1HB ASP 53 17.308 6.863 6.760 420 H ALA 54 H ALA 54 16.862 6.100 3.217 421 HA ALA 54 HA ALA 54 19.248 7.667 2.749 422 1HB ALA 54 2HB ALA 54 17.695 5.827 0.898 423 2HB ALA 54 1HB ALA 54 19.394 6.276 0.731 424 3HB ALA 54 3HB ALA 54 18.871 5.288 2.097 425 H GLN 55 H GLN 55 16.034 7.621 1.170 426 HA GLN 55 HA GLN 55 16.710 9.898 -0.593 427 1HB GLN 55 2HB GLN 55 14.148 8.337 -0.138 428 2HB GLN 55 1HB GLN 55 14.416 9.498 -1.434 429 1HG GLN 55 2HG GLN 55 16.278 8.101 -2.298 430 2HG GLN 55 1HG GLN 55 15.986 6.926 -1.016 431 1HE2 GLN 55 1HE2 GLN 55 13.254 6.615 -0.971 432 2HE2 GLN 55 2HE2 GLN 55 12.677 6.098 -2.480 433 H ALA 56 H ALA 56 15.971 9.770 2.650 434 HA ALA 56 HA ALA 56 13.819 11.669 2.947 435 1HB ALA 56 1HB ALA 56 15.720 11.696 5.121 436 2HB ALA 56 3HB ALA 56 14.098 11.013 5.091 437 3HB ALA 56 2HB ALA 56 15.470 10.035 4.573 438 HA PRO 57 HA PRO 57 15.855 15.480 2.349 439 1HB PRO 57 2HB PRO 57 14.584 17.083 4.165 440 2HB PRO 57 1HB PRO 57 13.816 16.508 2.673 441 1HG PRO 57 2HG PRO 57 13.547 15.479 5.449 442 2HG PRO 57 1HG PRO 57 12.311 15.692 4.200 443 1HD PRO 57 1HD PRO 57 13.432 13.287 4.795 444 2HD PRO 57 2HD PRO 57 12.809 13.699 3.183 445 H LYS 58 H LYS 58 17.586 16.721 3.201 446 HA LYS 58 HA LYS 58 18.527 15.981 5.961 447 1HB LYS 58 2HB LYS 58 20.162 16.503 3.446 448 2HB LYS 58 1HB LYS 58 20.812 16.058 5.021 449 1HG LYS 58 2HG LYS 58 18.873 14.321 3.467 450 2HG LYS 58 1HG LYS 58 20.625 14.131 3.411 451 1HD LYS 58 2HD LYS 58 20.604 13.916 5.920 452 2HD LYS 58 1HD LYS 58 18.843 13.878 5.848 453 1HE LYS 58 2HE LYS 58 20.397 11.970 4.110 454 2HE LYS 58 1HE LYS 58 20.190 11.599 5.832 455 1HZ LYS 58 1HZ LYS 58 17.788 11.999 5.561 456 2HZ LYS 58 3HZ LYS 58 18.018 12.231 3.895 457 3HZ LYS 58 2HZ LYS 58 18.332 10.714 4.591 458 H1 VAL 1 1H VAL 1 -8.131 -13.900 -12.907 459 H2 VAL 1 3H VAL 1 -8.413 -12.758 -14.130 460 H3 VAL 1 2H VAL 1 -9.208 -14.261 -14.169 461 HA VAL 1 HA VAL 1 -7.241 -15.437 -14.696 462 HB VAL 1 HB VAL 1 -7.484 -12.784 -16.172 463 1HG1 VAL 1 3HG1 VAL 1 -5.950 -15.300 -16.885 464 2HG1 VAL 1 2HG1 VAL 1 -6.409 -14.086 -18.078 465 3HG1 VAL 1 1HG1 VAL 1 -5.322 -13.654 -16.758 466 1HG2 VAL 1 3HG2 VAL 1 -8.655 -15.551 -16.574 467 2HG2 VAL 1 2HG2 VAL 1 -9.523 -14.034 -16.336 468 3HG2 VAL 1 1HG2 VAL 1 -8.658 -14.328 -17.844 469 H ASP 2 H ASP 2 -6.305 -11.956 -14.363 470 HA ASP 2 HA ASP 2 -3.502 -12.688 -13.836 471 1HB ASP 2 2HB ASP 2 -4.160 -10.708 -15.179 472 2HB ASP 2 1HB ASP 2 -4.963 -10.023 -13.769 473 H ASN 3 H ASN 3 -2.730 -13.135 -11.840 474 HA ASN 3 HA ASN 3 -4.244 -12.181 -9.436 475 1HB ASN 3 2HB ASN 3 -3.308 -14.171 -8.319 476 2HB ASN 3 1HB ASN 3 -4.114 -14.652 -9.808 477 1HD2 ASN 3 1HD2 ASN 3 -1.066 -14.694 -8.123 478 2HD2 ASN 3 2HD2 ASN 3 -0.147 -15.369 -9.380 479 H LYS 4 H LYS 4 -2.273 -10.615 -10.932 480 HA LYS 4 HA LYS 4 -0.336 -10.048 -8.732 481 1HB LYS 4 2HB LYS 4 0.263 -10.573 -11.668 482 2HB LYS 4 1HB LYS 4 1.432 -9.859 -10.558 483 1HG LYS 4 2HG LYS 4 1.286 -11.863 -9.114 484 2HG LYS 4 1HG LYS 4 0.129 -12.582 -10.229 485 1HD LYS 4 2HD LYS 4 2.909 -11.717 -11.063 486 2HD LYS 4 1HD LYS 4 2.528 -13.355 -10.531 487 1HE LYS 4 2HE LYS 4 0.991 -12.025 -12.787 488 2HE LYS 4 1HE LYS 4 2.477 -12.944 -13.079 489 1HZ LYS 4 2HZ LYS 4 1.438 -14.784 -11.753 490 2HZ LYS 4 1HZ LYS 4 -0.024 -13.919 -11.798 491 3HZ LYS 4 3HZ LYS 4 0.678 -14.471 -13.238 492 H PHE 5 H PHE 5 -2.370 -8.382 -8.827 493 HA PHE 5 HA PHE 5 -1.992 -6.227 -10.824 494 1HB PHE 5 2HB PHE 5 -3.976 -7.012 -8.713 495 2HB PHE 5 1HB PHE 5 -3.960 -5.349 -9.266 496 HD1 PHE 5 HD1 PHE 5 -5.206 -8.601 -9.906 497 HD2 PHE 5 HD2 PHE 5 -3.918 -5.014 -11.889 498 HE1 PHE 5 HE1 PHE 5 -6.472 -9.265 -11.933 499 HE2 PHE 5 HE2 PHE 5 -5.182 -5.679 -13.913 500 HZ PHE 5 HZ PHE 5 -6.460 -7.804 -13.935 501 H ASN 6 H ASN 6 0.321 -6.358 -9.437 502 HA ASN 6 HA ASN 6 0.458 -4.826 -7.003 503 1HB ASN 6 2HB ASN 6 2.945 -4.591 -7.781 504 2HB ASN 6 1HB ASN 6 2.331 -6.181 -7.364 505 1HD2 ASN 6 1HD2 ASN 6 3.016 -7.731 -8.854 506 2HD2 ASN 6 2HD2 ASN 6 3.238 -7.459 -10.515 507 H LYS 7 H LYS 7 0.721 -3.918 -10.396 508 HA LYS 7 HA LYS 7 1.479 -1.173 -10.074 509 1HB LYS 7 2HB LYS 7 -0.186 -2.631 -12.148 510 2HB LYS 7 1HB LYS 7 0.372 -0.970 -12.355 511 1HG LYS 7 2HG LYS 7 2.729 -1.778 -12.066 512 2HG LYS 7 1HG LYS 7 2.116 -3.431 -12.020 513 1HD LYS 7 2HD LYS 7 1.080 -3.055 -14.270 514 2HD LYS 7 1HD LYS 7 1.858 -1.474 -14.322 515 1HE LYS 7 2HE LYS 7 3.544 -3.910 -13.770 516 2HE LYS 7 1HE LYS 7 3.068 -3.539 -15.438 517 1HZ LYS 7 1HZ LYS 7 3.908 -1.280 -15.140 518 2HZ LYS 7 3HZ LYS 7 4.386 -1.645 -13.552 519 3HZ LYS 7 2HZ LYS 7 5.138 -2.418 -14.862 520 H GLU 8 H GLU 8 -1.625 -2.796 -9.893 521 HA GLU 8 HA GLU 8 -3.276 -0.439 -9.792 522 1HB GLU 8 2HB GLU 8 -3.517 -3.340 -9.553 523 2HB GLU 8 1HB GLU 8 -4.579 -2.507 -8.421 524 1HG GLU 8 2HG GLU 8 -5.142 -1.023 -10.535 525 2HG GLU 8 1HG GLU 8 -4.568 -2.443 -11.415 526 H LEU 9 H LEU 9 -1.578 -2.284 -7.301 527 HA LEU 9 HA LEU 9 -2.872 -0.921 -5.073 528 1HB LEU 9 2HB LEU 9 -0.131 -2.122 -4.942 529 2HB LEU 9 1HB LEU 9 -1.340 -2.002 -3.719 530 HG LEU 9 HG LEU 9 -1.834 -3.707 -6.121 531 1HD1 LEU 9 2HD1 LEU 9 0.176 -4.047 -4.107 532 2HD1 LEU 9 1HD1 LEU 9 -1.095 -5.240 -3.819 533 3HD1 LEU 9 3HD1 LEU 9 -0.274 -5.185 -5.383 534 1HD2 LEU 9 2HD2 LEU 9 -3.718 -2.971 -4.603 535 2HD2 LEU 9 1HD2 LEU 9 -3.471 -4.725 -4.617 536 3HD2 LEU 9 3HD2 LEU 9 -2.872 -3.764 -3.267 537 H SER 10 H SER 10 -0.131 -0.301 -7.147 538 HA SER 10 HA SER 10 1.293 1.615 -5.560 539 1HB SER 10 2HB SER 10 0.853 1.316 -8.537 540 2HB SER 10 1HB SER 10 2.090 2.278 -7.788 541 HG SER 10 HG SER 10 1.910 -0.438 -8.128 542 H VAL 11 H VAL 11 -1.369 1.915 -7.965 543 HA VAL 11 HA VAL 11 -1.773 4.800 -7.430 544 HB VAL 11 HB VAL 11 -3.446 2.864 -9.073 545 1HG1 VAL 11 3HG1 VAL 11 -2.963 5.853 -9.252 546 2HG1 VAL 11 2HG1 VAL 11 -3.921 4.914 -10.397 547 3HG1 VAL 11 1HG1 VAL 11 -4.450 5.066 -8.721 548 1HG2 VAL 11 2HG2 VAL 11 -0.937 4.382 -9.883 549 2HG2 VAL 11 1HG2 VAL 11 -1.110 2.626 -9.787 550 3HG2 VAL 11 3HG2 VAL 11 -2.008 3.540 -11.004 551 H ALA 12 H ALA 12 -3.857 1.865 -7.189 552 HA ALA 12 HA ALA 12 -6.014 3.032 -5.742 553 1HB ALA 12 2HB ALA 12 -5.850 0.783 -6.961 554 2HB ALA 12 3HB ALA 12 -6.719 0.772 -5.427 555 3HB ALA 12 1HB ALA 12 -5.056 0.169 -5.501 556 H GLY 13 H GLY 13 -3.191 1.296 -4.575 557 1HA GLY 13 1HA GLY 13 -2.221 1.106 -2.486 558 2HA GLY 13 2HA GLY 13 -3.833 1.338 -1.811 559 H ARG 14 H ARG 14 -1.488 3.413 -3.603 560 HA ARG 14 HA ARG 14 -0.987 5.065 -1.335 561 1HB ARG 14 2HB ARG 14 0.454 4.971 -3.312 562 2HB ARG 14 1HB ARG 14 -0.793 5.792 -4.264 563 1HG ARG 14 2HG ARG 14 -0.440 7.819 -3.238 564 2HG ARG 14 1HG ARG 14 -0.060 7.069 -1.689 565 1HD ARG 14 2HD ARG 14 1.901 8.198 -2.712 566 2HD ARG 14 1HD ARG 14 2.139 6.459 -2.471 567 HE ARG 14 HE ARG 14 2.076 6.155 -4.842 568 1HH1 ARG 14 1HH1 ARG 14 -0.208 7.166 -5.979 569 2HH1 ARG 14 2HH1 ARG 14 0.198 8.688 -6.694 570 1HH2 ARG 14 1HH2 ARG 14 3.140 9.062 -4.869 571 2HH2 ARG 14 2HH2 ARG 14 2.108 9.767 -6.066 572 H GLU 15 H GLU 15 -3.493 5.464 -3.899 573 HA GLU 15 HA GLU 15 -4.348 8.093 -3.041 574 1HB GLU 15 2HB GLU 15 -5.697 5.807 -4.503 575 2HB GLU 15 1HB GLU 15 -6.480 7.364 -4.240 576 1HG GLU 15 2HG GLU 15 -3.853 6.938 -5.701 577 2HG GLU 15 1HG GLU 15 -5.403 7.293 -6.460 578 H ILE 16 H ILE 16 -5.309 4.788 -2.098 579 HA ILE 16 HA ILE 16 -7.345 5.527 -0.172 580 HB ILE 16 HB ILE 16 -5.617 3.065 -0.657 581 1HG1 ILE 16 2HG1 ILE 16 -8.598 3.406 -1.064 582 2HG1 ILE 16 1HG1 ILE 16 -7.452 3.888 -2.306 583 1HG2 ILE 16 2HG2 ILE 16 -7.812 3.533 1.372 584 2HG2 ILE 16 1HG2 ILE 16 -7.447 1.919 0.756 585 3HG2 ILE 16 3HG2 ILE 16 -6.213 2.833 1.630 586 1HD1 ILE 16 3HD1 ILE 16 -6.551 1.377 -1.729 587 2HD1 ILE 16 2HD1 ILE 16 -8.281 1.186 -1.442 588 3HD1 ILE 16 1HD1 ILE 16 -7.704 1.744 -3.015 589 H VAL 17 H VAL 17 -3.842 5.235 -0.126 590 HA VAL 17 HA VAL 17 -3.321 5.246 2.709 591 HB VAL 17 HB VAL 17 -1.832 5.740 0.151 592 1HG1 VAL 17 3HG1 VAL 17 -1.003 7.377 2.027 593 2HG1 VAL 17 2HG1 VAL 17 -0.267 5.916 2.677 594 3HG1 VAL 17 1HG1 VAL 17 0.155 6.468 1.051 595 1HG2 VAL 17 2HG2 VAL 17 -2.173 3.606 2.045 596 2HG2 VAL 17 1HG2 VAL 17 -1.456 3.588 0.418 597 3HG2 VAL 17 3HG2 VAL 17 -0.460 3.986 1.812 598 H THR 18 H THR 18 -3.721 7.881 0.284 599 HA THR 18 HA THR 18 -3.757 9.811 2.564 600 HB THR 18 HB THR 18 -1.495 9.560 1.528 601 HG1 THR 18 HG1 THR 18 -1.178 11.615 1.842 602 1HG2 THR 18 1HG2 THR 18 -2.891 9.548 -0.887 603 2HG2 THR 18 3HG2 THR 18 -2.118 11.133 -0.856 604 3HG2 THR 18 2HG2 THR 18 -1.143 9.673 -0.699 605 H LEU 19 H LEU 19 -6.148 8.915 0.941 606 HA LEU 19 HA LEU 19 -6.763 10.983 -1.010 607 1HB LEU 19 2HB LEU 19 -9.134 10.218 -0.599 608 2HB LEU 19 1HB LEU 19 -8.005 8.952 -1.042 609 HG LEU 19 HG LEU 19 -8.092 9.316 1.838 610 1HD1 LEU 19 3HD1 LEU 19 -10.621 9.188 0.284 611 2HD1 LEU 19 2HD1 LEU 19 -10.499 8.146 1.697 612 3HD1 LEU 19 1HD1 LEU 19 -10.302 9.889 1.871 613 1HD2 LEU 19 1HD2 LEU 19 -8.599 7.074 -0.138 614 2HD2 LEU 19 3HD2 LEU 19 -7.196 7.294 0.903 615 3HD2 LEU 19 2HD2 LEU 19 -8.749 6.837 1.601 616 HA PRO 20 HA PRO 20 -7.544 14.642 1.128 617 1HB PRO 20 2HB PRO 20 -10.090 15.437 0.447 618 2HB PRO 20 1HB PRO 20 -8.668 15.559 -0.610 619 1HG PRO 20 2HG PRO 20 -10.753 13.418 -0.498 620 2HG PRO 20 1HG PRO 20 -10.087 14.259 -1.910 621 1HD PRO 20 1HD PRO 20 -9.220 11.837 -1.290 622 2HD PRO 20 2HD PRO 20 -8.067 13.083 -1.817 623 H ASN 21 H ASN 21 -10.252 12.354 1.910 624 HA ASN 21 HA ASN 21 -10.401 13.806 4.558 625 1HB ASN 21 2HB ASN 21 -12.589 12.635 2.853 626 2HB ASN 21 1HB ASN 21 -12.847 13.235 4.479 627 1HD2 ASN 21 1HD2 ASN 21 -13.976 14.265 1.906 628 2HD2 ASN 21 2HD2 ASN 21 -13.507 15.897 1.823 629 H LEU 22 H LEU 22 -9.015 11.076 3.824 630 HA LEU 22 HA LEU 22 -10.672 9.260 5.523 631 1HB LEU 22 2HB LEU 22 -9.352 8.765 3.263 632 2HB LEU 22 1HB LEU 22 -8.057 8.442 4.397 633 HG LEU 22 HG LEU 22 -10.099 7.108 5.599 634 1HD1 LEU 22 1HD1 LEU 22 -11.493 7.687 3.503 635 2HD1 LEU 22 3HD1 LEU 22 -10.474 6.519 2.663 636 3HD1 LEU 22 2HD1 LEU 22 -11.474 6.003 4.023 637 1HD2 LEU 22 3HD2 LEU 22 -7.933 6.365 3.678 638 2HD2 LEU 22 2HD2 LEU 22 -8.137 5.926 5.381 639 3HD2 LEU 22 1HD2 LEU 22 -9.095 5.115 4.141 640 H ASN 23 H ASN 23 -9.715 8.112 7.257 641 HA ASN 23 HA ASN 23 -7.524 9.615 8.662 642 1HB ASN 23 2HB ASN 23 -8.476 8.716 10.731 643 2HB ASN 23 1HB ASN 23 -9.722 9.537 9.800 644 1HD2 ASN 23 1HD2 ASN 23 -10.486 7.655 11.760 645 2HD2 ASN 23 2HD2 ASN 23 -11.115 6.275 11.000 646 H ASP 24 H ASP 24 -5.898 8.336 9.808 647 HA ASP 24 HA ASP 24 -4.633 6.423 8.235 648 1HB ASP 24 2HB ASP 24 -3.115 6.110 10.118 649 2HB ASP 24 1HB ASP 24 -3.537 7.803 9.911 650 HA PRO 25 HA PRO 25 -6.182 2.753 10.907 651 1HB PRO 25 2HB PRO 25 -8.723 2.885 11.925 652 2HB PRO 25 1HB PRO 25 -7.278 3.361 12.840 653 1HG PRO 25 2HG PRO 25 -9.263 5.059 11.424 654 2HG PRO 25 1HG PRO 25 -8.445 5.329 12.969 655 1HD PRO 25 1HD PRO 25 -7.714 6.546 10.651 656 2HD PRO 25 2HD PRO 25 -6.596 6.216 11.981 657 H GLN 26 H GLN 26 -8.809 4.565 9.160 658 HA GLN 26 HA GLN 26 -10.031 2.166 8.102 659 1HB GLN 26 2HB GLN 26 -10.154 5.092 7.306 660 2HB GLN 26 1HB GLN 26 -11.133 3.839 6.531 661 1HG GLN 26 2HG GLN 26 -11.884 3.161 8.889 662 2HG GLN 26 1HG GLN 26 -11.165 4.667 9.446 663 1HE2 GLN 26 1HE2 GLN 26 -12.211 6.704 8.762 664 2HE2 GLN 26 2HE2 GLN 26 -13.779 6.695 8.120 665 H LYS 27 H LYS 27 -7.631 4.455 6.653 666 HA LYS 27 HA LYS 27 -7.374 3.071 4.146 667 1HB LYS 27 2HB LYS 27 -4.999 4.054 4.201 668 2HB LYS 27 1HB LYS 27 -6.353 5.184 4.196 669 1HG LYS 27 2HG LYS 27 -6.064 5.257 6.754 670 2HG LYS 27 1HG LYS 27 -4.536 4.432 6.483 671 1HD LYS 27 2HD LYS 27 -4.002 6.756 6.504 672 2HD LYS 27 1HD LYS 27 -3.996 6.282 4.808 673 1HE LYS 27 2HE LYS 27 -5.815 7.576 4.299 674 2HE LYS 27 1HE LYS 27 -6.627 7.211 5.832 675 1HZ LYS 27 2HZ LYS 27 -5.017 8.638 6.971 676 2HZ LYS 27 1HZ LYS 27 -4.288 9.022 5.484 677 3HZ LYS 27 3HZ LYS 27 -5.882 9.507 5.798 678 H LYS 28 H LYS 28 -5.850 2.567 7.293 679 HA LYS 28 HA LYS 28 -3.836 0.690 6.598 680 1HB LYS 28 2HB LYS 28 -5.273 1.644 8.955 681 2HB LYS 28 1HB LYS 28 -5.047 -0.099 9.074 682 1HG LYS 28 2HG LYS 28 -2.730 1.547 8.203 683 2HG LYS 28 1HG LYS 28 -3.178 1.609 9.898 684 1HD LYS 28 2HD LYS 28 -2.635 -0.591 10.267 685 2HD LYS 28 1HD LYS 28 -3.057 -1.079 8.625 686 1HE LYS 28 2HE LYS 28 -0.989 -0.426 7.743 687 2HE LYS 28 1HE LYS 28 -0.668 0.702 9.071 688 1HZ LYS 28 3HZ LYS 28 -0.940 -2.223 9.516 689 2HZ LYS 28 2HZ LYS 28 0.556 -1.497 9.169 690 3HZ LYS 28 1HZ LYS 28 -0.298 -1.060 10.572 691 H ALA 29 H ALA 29 -7.162 -0.083 7.834 692 HA ALA 29 HA ALA 29 -7.104 -2.880 7.153 693 1HB ALA 29 2HB ALA 29 -9.568 -2.676 7.452 694 2HB ALA 29 3HB ALA 29 -9.416 -0.920 7.402 695 3HB ALA 29 1HB ALA 29 -8.690 -1.830 8.727 696 H PHE 30 H PHE 30 -7.972 0.009 5.298 697 HA PHE 30 HA PHE 30 -9.251 -1.191 3.029 698 1HB PHE 30 2HB PHE 30 -8.317 1.357 3.955 699 2HB PHE 30 1HB PHE 30 -7.694 1.123 2.338 700 HD1 PHE 30 HD1 PHE 30 -10.668 1.623 4.382 701 HD2 PHE 30 HD2 PHE 30 -9.192 0.760 0.447 702 HE1 PHE 30 HE1 PHE 30 -12.879 2.203 3.430 703 HE2 PHE 30 HE2 PHE 30 -11.405 1.337 -0.495 704 HZ PHE 30 HZ PHE 30 -13.240 2.069 0.992 705 H ILE 31 H ILE 31 -5.883 -0.026 3.353 706 HA ILE 31 HA ILE 31 -4.894 -1.043 0.880 707 HB ILE 31 HB ILE 31 -3.761 -0.280 3.564 708 1HG1 ILE 31 2HG1 ILE 31 -4.057 0.911 0.856 709 2HG1 ILE 31 1HG1 ILE 31 -4.058 1.698 2.445 710 1HG2 ILE 31 3HG2 ILE 31 -2.437 -2.242 2.290 711 2HG2 ILE 31 2HG2 ILE 31 -1.824 -0.873 1.351 712 3HG2 ILE 31 1HG2 ILE 31 -1.593 -0.929 3.098 713 1HD1 ILE 31 1HD1 ILE 31 -1.527 0.544 1.364 714 2HD1 ILE 31 3HD1 ILE 31 -2.110 2.082 0.773 715 3HD1 ILE 31 2HD1 ILE 31 -1.769 1.873 2.500 716 H PHE 32 H PHE 32 -5.032 -2.442 4.161 717 HA PHE 32 HA PHE 32 -3.627 -4.844 3.597 718 1HB PHE 32 2HB PHE 32 -5.547 -3.857 5.686 719 2HB PHE 32 1HB PHE 32 -5.129 -5.569 5.676 720 HD1 PHE 32 HD1 PHE 32 -3.223 -2.227 5.225 721 HD2 PHE 32 HD2 PHE 32 -3.296 -6.204 7.082 722 HE1 PHE 32 HE1 PHE 32 -1.100 -1.811 6.333 723 HE2 PHE 32 HE2 PHE 32 -1.150 -5.694 8.112 724 HZ PHE 32 HZ PHE 32 -0.057 -3.566 7.714 725 H SER 33 H SER 33 -7.122 -4.000 3.113 726 HA SER 33 HA SER 33 -7.767 -6.743 2.209 727 1HB SER 33 2HB SER 33 -9.953 -5.820 1.783 728 2HB SER 33 1HB SER 33 -9.377 -5.062 3.259 729 HG SER 33 HG SER 33 -9.259 -3.204 2.266 730 H LEU 34 H LEU 34 -6.781 -3.655 0.749 731 HA LEU 34 HA LEU 34 -7.159 -4.232 -2.042 732 1HB LEU 34 2HB LEU 34 -6.756 -1.996 -1.284 733 2HB LEU 34 1HB LEU 34 -5.319 -2.453 -0.404 734 HG LEU 34 HG LEU 34 -4.337 -3.010 -2.702 735 1HD1 LEU 34 3HD1 LEU 34 -6.851 -1.522 -3.473 736 2HD1 LEU 34 2HD1 LEU 34 -5.419 -1.504 -4.503 737 3HD1 LEU 34 1HD1 LEU 34 -6.223 -3.033 -4.140 738 1HD2 LEU 34 1HD2 LEU 34 -3.910 -0.925 -1.238 739 2HD2 LEU 34 3HD2 LEU 34 -3.537 -0.778 -2.959 740 3HD2 LEU 34 2HD2 LEU 34 -5.033 -0.096 -2.323 741 H TRP 35 H TRP 35 -4.443 -4.860 0.189 742 HA TRP 35 HA TRP 35 -2.620 -5.984 -1.745 743 1HB TRP 35 2HB TRP 35 -2.069 -5.099 0.520 744 2HB TRP 35 1HB TRP 35 -2.855 -6.512 1.223 745 HD1 TRP 35 HD1 TRP 35 -1.433 -8.659 1.394 746 HE1 TRP 35 HE1 TRP 35 0.808 -9.420 0.431 747 HE3 TRP 35 HE3 TRP 35 -0.432 -4.752 -1.705 748 HZ2 TRP 35 HZ2 TRP 35 2.801 -8.474 -1.383 749 HZ3 TRP 35 HZ3 TRP 35 1.640 -4.725 -3.042 750 HH2 TRP 35 HH2 TRP 35 3.244 -6.557 -2.877 751 H ASP 36 H ASP 36 -4.996 -7.484 0.518 752 HA ASP 36 HA ASP 36 -4.406 -10.222 -0.036 753 1HB ASP 36 2HB ASP 36 -6.805 -8.704 1.003 754 2HB ASP 36 1HB ASP 36 -6.897 -10.444 0.756 755 H ASP 37 H ASP 37 -6.847 -8.010 -1.472 756 HA ASP 37 HA ASP 37 -6.896 -9.806 -3.826 757 1HB ASP 37 2HB ASP 37 -9.284 -8.724 -2.296 758 2HB ASP 37 1HB ASP 37 -9.404 -9.523 -3.858 759 HA PRO 38 HA PRO 38 -6.404 -5.455 -5.217 760 1HB PRO 38 2HB PRO 38 -4.867 -6.028 -7.378 761 2HB PRO 38 1HB PRO 38 -4.214 -5.777 -5.752 762 1HG PRO 38 2HG PRO 38 -4.778 -8.341 -7.180 763 2HG PRO 38 1HG PRO 38 -3.390 -7.905 -6.173 764 1HD PRO 38 1HD PRO 38 -5.431 -9.431 -5.256 765 2HD PRO 38 2HD PRO 38 -4.515 -8.325 -4.205 766 H SER 39 H SER 39 -8.000 -8.237 -6.390 767 HA SER 39 HA SER 39 -8.794 -7.464 -9.051 768 1HB SER 39 2HB SER 39 -9.182 -9.605 -7.432 769 2HB SER 39 1HB SER 39 -10.716 -8.792 -7.181 770 HG SER 39 HG SER 39 -11.253 -9.129 -9.220 771 H GLN 40 H GLN 40 -9.908 -6.684 -5.774 772 HA GLN 40 HA GLN 40 -12.049 -4.836 -6.700 773 1HB GLN 40 2HB GLN 40 -11.073 -5.150 -3.859 774 2HB GLN 40 1HB GLN 40 -12.696 -4.781 -4.418 775 1HG GLN 40 2HG GLN 40 -11.281 -7.454 -4.510 776 2HG GLN 40 1HG GLN 40 -12.667 -7.019 -3.525 777 1HE2 GLN 40 1HE2 GLN 40 -12.223 -9.066 -5.844 778 2HE2 GLN 40 2HE2 GLN 40 -13.545 -8.780 -6.873 779 H SER 41 H SER 41 -8.786 -4.485 -6.725 780 HA SER 41 HA SER 41 -8.035 -2.351 -5.060 781 1HB SER 41 2HB SER 41 -6.508 -3.680 -6.307 782 2HB SER 41 1HB SER 41 -7.205 -3.152 -7.830 783 HG SER 41 HG SER 41 -6.149 -1.314 -7.678 784 H ALA 42 H ALA 42 -9.394 -2.164 -8.398 785 HA ALA 42 HA ALA 42 -9.363 0.712 -8.610 786 1HB ALA 42 1HB ALA 42 -11.181 -1.398 -9.844 787 2HB ALA 42 3HB ALA 42 -11.042 0.265 -10.415 788 3HB ALA 42 2HB ALA 42 -9.658 -0.823 -10.524 789 H ASN 43 H ASN 43 -11.824 -1.621 -7.476 790 HA ASN 43 HA ASN 43 -13.856 0.266 -6.776 791 1HB ASN 43 2HB ASN 43 -14.100 -2.214 -7.149 792 2HB ASN 43 1HB ASN 43 -13.271 -2.477 -5.615 793 1HD2 ASN 43 1HD2 ASN 43 -14.481 -2.179 -3.666 794 2HD2 ASN 43 2HD2 ASN 43 -16.122 -1.745 -3.653 795 H LEU 44 H LEU 44 -11.019 -1.042 -5.022 796 HA LEU 44 HA LEU 44 -11.712 -0.136 -2.381 797 1HB LEU 44 2HB LEU 44 -9.365 -1.136 -3.884 798 2HB LEU 44 1HB LEU 44 -8.987 -0.188 -2.452 799 HG LEU 44 HG LEU 44 -11.147 -2.173 -2.106 800 1HD1 LEU 44 2HD1 LEU 44 -8.591 -2.932 -3.276 801 2HD1 LEU 44 1HD1 LEU 44 -8.819 -3.674 -1.687 802 3HD1 LEU 44 3HD1 LEU 44 -10.017 -3.929 -2.957 803 1HD2 LEU 44 3HD2 LEU 44 -8.840 -0.975 -0.604 804 2HD2 LEU 44 2HD2 LEU 44 -10.539 -1.120 -0.137 805 3HD2 LEU 44 1HD2 LEU 44 -9.477 -2.531 -0.061 806 H LEU 45 H LEU 45 -9.638 1.273 -4.849 807 HA LEU 45 HA LEU 45 -8.928 3.706 -3.599 808 1HB LEU 45 2HB LEU 45 -7.922 2.919 -5.681 809 2HB LEU 45 1HB LEU 45 -9.476 2.974 -6.500 810 HG LEU 45 HG LEU 45 -9.488 5.312 -6.610 811 1HD1 LEU 45 3HD1 LEU 45 -7.561 5.148 -4.300 812 2HD1 LEU 45 2HD1 LEU 45 -7.679 6.615 -5.282 813 3HD1 LEU 45 1HD1 LEU 45 -9.091 6.025 -4.416 814 1HD2 LEU 45 2HD2 LEU 45 -7.634 4.180 -7.947 815 2HD2 LEU 45 1HD2 LEU 45 -7.419 5.905 -7.654 816 3HD2 LEU 45 3HD2 LEU 45 -6.518 4.729 -6.697 817 H ALA 46 H ALA 46 -11.716 2.954 -5.709 818 HA ALA 46 HA ALA 46 -13.032 5.500 -5.556 819 1HB ALA 46 2HB ALA 46 -14.589 4.371 -6.830 820 2HB ALA 46 1HB ALA 46 -13.322 3.142 -6.896 821 3HB ALA 46 3HB ALA 46 -14.628 2.998 -5.720 822 H GLU 47 H GLU 47 -13.332 2.521 -3.610 823 HA GLU 47 HA GLU 47 -15.408 3.302 -1.831 824 1HB GLU 47 2HB GLU 47 -14.179 1.029 -2.316 825 2HB GLU 47 1HB GLU 47 -13.055 1.558 -1.066 826 1HG GLU 47 2HG GLU 47 -14.964 1.803 0.508 827 2HG GLU 47 1HG GLU 47 -16.064 1.244 -0.749 828 H ALA 48 H ALA 48 -11.931 3.945 -1.861 829 HA ALA 48 HA ALA 48 -11.603 4.967 0.811 830 1HB ALA 48 1HB ALA 48 -9.446 5.036 0.071 831 2HB ALA 48 2HB ALA 48 -9.861 6.167 -1.214 832 3HB ALA 48 3HB ALA 48 -10.041 4.421 -1.482 833 H LYS 49 H LYS 49 -12.041 6.671 -2.350 834 HA LYS 49 HA LYS 49 -12.276 9.327 -1.285 835 1HB LYS 49 2HB LYS 49 -13.232 7.932 -3.795 836 2HB LYS 49 1HB LYS 49 -13.550 9.645 -3.525 837 1HG LYS 49 2HG LYS 49 -11.519 9.978 -4.490 838 2HG LYS 49 1HG LYS 49 -10.869 9.479 -2.930 839 1HD LYS 49 2HD LYS 49 -10.271 7.395 -3.680 840 2HD LYS 49 1HD LYS 49 -11.596 7.308 -4.835 841 1HE LYS 49 2HE LYS 49 -9.572 7.491 -6.131 842 2HE LYS 49 1HE LYS 49 -10.343 9.089 -6.199 843 1HZ LYS 49 1HZ LYS 49 -8.385 8.391 -4.074 844 2HZ LYS 49 3HZ LYS 49 -7.887 9.028 -5.564 845 3HZ LYS 49 2HZ LYS 49 -8.911 9.933 -4.558 846 H LYS 50 H LYS 50 -14.765 6.881 -2.091 847 HA LYS 50 HA LYS 50 -17.100 8.387 -1.383 848 1HB LYS 50 2HB LYS 50 -16.408 5.432 -1.396 849 2HB LYS 50 1HB LYS 50 -18.041 6.019 -1.081 850 1HG LYS 50 2HG LYS 50 -18.101 7.138 -3.253 851 2HG LYS 50 1HG LYS 50 -16.429 6.670 -3.569 852 1HD LYS 50 2HD LYS 50 -17.035 4.310 -3.547 853 2HD LYS 50 1HD LYS 50 -18.699 4.712 -3.110 854 1HE LYS 50 2HE LYS 50 -19.012 4.565 -5.395 855 2HE LYS 50 1HE LYS 50 -18.419 6.237 -5.355 856 1HZ LYS 50 3HZ LYS 50 -16.155 5.403 -5.612 857 2HZ LYS 50 2HZ LYS 50 -16.729 3.804 -5.673 858 3HZ LYS 50 1HZ LYS 50 -17.126 4.900 -6.909 859 H LEU 51 H LEU 51 -14.948 6.309 0.585 860 HA LEU 51 HA LEU 51 -16.445 6.489 3.057 861 1HB LEU 51 2HB LEU 51 -14.678 4.799 2.415 862 2HB LEU 51 1HB LEU 51 -13.460 6.059 2.578 863 HG LEU 51 HG LEU 51 -15.341 5.186 4.806 864 1HD1 LEU 51 3HD1 LEU 51 -12.727 4.154 3.863 865 2HD1 LEU 51 2HD1 LEU 51 -12.875 4.387 5.601 866 3HD1 LEU 51 1HD1 LEU 51 -14.008 3.336 4.755 867 1HD2 LEU 51 3HD2 LEU 51 -13.210 7.252 4.536 868 2HD2 LEU 51 2HD2 LEU 51 -14.648 7.249 5.555 869 3HD2 LEU 51 1HD2 LEU 51 -13.219 6.330 6.037 870 H ASN 52 H ASN 52 -13.666 8.348 1.728 871 HA ASN 52 HA ASN 52 -13.198 10.111 3.909 872 1HB ASN 52 2HB ASN 52 -11.698 10.945 2.420 873 2HB ASN 52 1HB ASN 52 -12.225 9.649 1.386 874 1HD2 ASN 52 1HD2 ASN 52 -11.571 10.964 -0.499 875 2HD2 ASN 52 2HD2 ASN 52 -12.570 12.231 -1.033 876 H ASP 53 H ASP 53 -15.626 10.206 1.321 877 HA ASP 53 HA ASP 53 -16.624 12.826 1.738 878 1HB ASP 53 2HB ASP 53 -17.013 11.130 -0.161 879 2HB ASP 53 1HB ASP 53 -18.237 10.406 0.884 880 H ALA 54 H ALA 54 -17.252 9.744 3.430 881 HA ALA 54 HA ALA 54 -19.683 10.541 4.800 882 1HB ALA 54 3HB ALA 54 -18.449 8.241 4.338 883 2HB ALA 54 2HB ALA 54 -17.693 8.577 5.896 884 3HB ALA 54 1HB ALA 54 -19.448 8.437 5.782 885 H GLN 55 H GLN 55 -16.219 10.753 5.610 886 HA GLN 55 HA GLN 55 -16.675 11.851 8.299 887 1HB GLN 55 2HB GLN 55 -14.334 11.284 6.476 888 2HB GLN 55 1HB GLN 55 -14.095 12.108 8.005 889 1HG GLN 55 2HG GLN 55 -14.994 10.245 9.246 890 2HG GLN 55 1HG GLN 55 -15.514 9.448 7.760 891 1HE2 GLN 55 1HE2 GLN 55 -13.394 9.518 6.098 892 2HE2 GLN 55 2HE2 GLN 55 -12.024 8.790 6.795 893 H ALA 56 H ALA 56 -15.853 13.079 5.055 894 HA ALA 56 HA ALA 56 -16.459 15.863 5.913 895 1HB ALA 56 3HB ALA 56 -14.195 15.956 6.357 896 2HB ALA 56 1HB ALA 56 -14.138 16.278 4.621 897 3HB ALA 56 2HB ALA 56 -13.833 14.649 5.227 898 HA PRO 57 HA PRO 57 -17.934 16.008 1.703 899 1HB PRO 57 2HB PRO 57 -17.806 18.695 1.203 900 2HB PRO 57 1HB PRO 57 -19.042 17.967 2.248 901 1HG PRO 57 2HG PRO 57 -16.536 19.384 2.985 902 2HG PRO 57 1HG PRO 57 -18.135 19.458 3.741 903 1HD PRO 57 1HD PRO 57 -16.059 18.008 4.750 904 2HD PRO 57 2HD PRO 57 -17.765 17.576 5.000 905 H LYS 58 H LYS 58 -17.020 15.985 -0.391 906 HA LYS 58 HA LYS 58 -14.110 16.091 -0.613 907 1HB LYS 58 2HB LYS 58 -16.385 15.684 -2.578 908 2HB LYS 58 1HB LYS 58 -14.691 15.602 -3.054 909 1HG LYS 58 2HG LYS 58 -14.322 13.814 -1.368 910 2HG LYS 58 1HG LYS 58 -16.038 13.866 -0.964 911 1HD LYS 58 2HD LYS 58 -16.548 13.367 -3.379 912 2HD LYS 58 1HD LYS 58 -14.820 13.133 -3.641 913 1HE LYS 58 2HE LYS 58 -15.020 10.997 -2.915 914 2HE LYS 58 1HE LYS 58 -15.556 11.600 -1.335 915 1HZ LYS 58 3HZ LYS 58 -17.801 11.887 -2.309 916 2HZ LYS 58 2HZ LYS 58 -17.255 11.139 -3.736 917 3HZ LYS 58 1HZ LYS 58 -17.298 10.268 -2.280 No H/Q in entry = 917 Start of MODEL 40 1 H1 VAL 1 2H VAL 1 4.053 -17.447 2.091 2 H2 VAL 1 1H VAL 1 5.735 -17.661 2.163 3 H3 VAL 1 3H VAL 1 4.900 -17.978 0.722 4 HA VAL 1 HA VAL 1 3.943 -19.938 1.517 5 HB VAL 1 HB VAL 1 6.754 -19.586 2.638 6 1HG1 VAL 1 2HG1 VAL 1 5.109 -22.088 2.159 7 2HG1 VAL 1 1HG1 VAL 1 6.863 -22.107 2.350 8 3HG1 VAL 1 3HG1 VAL 1 5.838 -21.556 3.675 9 1HG2 VAL 1 2HG2 VAL 1 5.655 -20.562 -0.015 10 2HG2 VAL 1 1HG2 VAL 1 6.731 -19.193 0.265 11 3HG2 VAL 1 3HG2 VAL 1 7.321 -20.842 0.491 12 H ASP 2 H ASP 2 5.688 -18.508 4.341 13 HA ASP 2 HA ASP 2 4.117 -19.968 6.300 14 1HB ASP 2 2HB ASP 2 6.510 -18.893 6.391 15 2HB ASP 2 1HB ASP 2 5.644 -17.425 6.844 16 H ASN 3 H ASN 3 2.431 -19.194 7.626 17 HA ASN 3 HA ASN 3 0.484 -17.434 6.540 18 1HB ASN 3 2HB ASN 3 -0.621 -17.698 8.695 19 2HB ASN 3 1HB ASN 3 0.142 -19.223 8.266 20 1HD2 ASN 3 1HD2 ASN 3 1.948 -19.961 9.595 21 2HD2 ASN 3 2HD2 ASN 3 2.377 -19.176 11.038 22 H LYS 4 H LYS 4 3.192 -16.693 8.747 23 HA LYS 4 HA LYS 4 2.373 -14.079 9.583 24 1HB LYS 4 2HB LYS 4 4.768 -13.786 10.117 25 2HB LYS 4 1HB LYS 4 4.213 -15.384 10.607 26 1HG LYS 4 2HG LYS 4 5.130 -16.237 8.378 27 2HG LYS 4 1HG LYS 4 5.883 -14.659 8.186 28 1HD LYS 4 2HD LYS 4 7.130 -14.949 10.261 29 2HD LYS 4 1HD LYS 4 6.322 -16.487 10.562 30 1HE LYS 4 2HE LYS 4 7.322 -16.895 8.033 31 2HE LYS 4 1HE LYS 4 8.580 -15.877 8.757 32 1HZ LYS 4 3HZ LYS 4 7.402 -18.291 10.041 33 2HZ LYS 4 2HZ LYS 4 8.904 -18.252 9.254 34 3HZ LYS 4 1HZ LYS 4 8.659 -17.336 10.664 35 H PHE 5 H PHE 5 4.136 -15.135 6.661 36 HA PHE 5 HA PHE 5 4.898 -12.585 5.691 37 1HB PHE 5 2HB PHE 5 4.272 -15.179 4.264 38 2HB PHE 5 1HB PHE 5 5.062 -13.804 3.502 39 HD1 PHE 5 HD1 PHE 5 6.547 -13.132 6.322 40 HD2 PHE 5 HD2 PHE 5 6.269 -16.569 3.753 41 HE1 PHE 5 HE1 PHE 5 8.730 -13.934 7.155 42 HE2 PHE 5 HE2 PHE 5 8.451 -17.374 4.602 43 HZ PHE 5 HZ PHE 5 9.678 -16.057 6.307 44 H ASN 6 H ASN 6 1.751 -14.240 5.458 45 HA ASN 6 HA ASN 6 0.579 -12.841 3.294 46 1HB ASN 6 2HB ASN 6 -0.437 -14.729 4.562 47 2HB ASN 6 1HB ASN 6 -0.691 -13.656 5.938 48 1HD2 ASN 6 1HD2 ASN 6 -1.573 -13.986 2.445 49 2HD2 ASN 6 2HD2 ASN 6 -3.061 -13.182 2.601 50 H LYS 7 H LYS 7 0.335 -11.867 6.794 51 HA LYS 7 HA LYS 7 -0.593 -9.207 6.024 52 1HB LYS 7 2HB LYS 7 -1.441 -10.075 8.053 53 2HB LYS 7 1HB LYS 7 0.191 -10.423 8.669 54 1HG LYS 7 2HG LYS 7 0.659 -7.966 8.623 55 2HG LYS 7 1HG LYS 7 -1.004 -7.689 8.102 56 1HD LYS 7 2HD LYS 7 -1.875 -8.603 10.115 57 2HD LYS 7 1HD LYS 7 -0.276 -9.184 10.606 58 1HE LYS 7 2HE LYS 7 -0.707 -6.234 10.102 59 2HE LYS 7 1HE LYS 7 -1.178 -6.941 11.658 60 1HZ LYS 7 1HZ LYS 7 1.059 -7.922 11.820 61 2HZ LYS 7 3HZ LYS 7 1.506 -7.141 10.380 62 3HZ LYS 7 2HZ LYS 7 1.115 -6.227 11.756 63 H GLU 8 H GLU 8 2.603 -10.592 6.791 64 HA GLU 8 HA GLU 8 3.993 -8.140 7.325 65 1HB GLU 8 2HB GLU 8 4.828 -10.749 6.027 66 2HB GLU 8 1HB GLU 8 5.955 -9.413 6.258 67 1HG GLU 8 2HG GLU 8 4.402 -10.812 8.453 68 2HG GLU 8 1HG GLU 8 6.127 -11.001 8.109 69 H GLN 9 H GLN 9 3.077 -9.787 4.306 70 HA GLN 9 HA GLN 9 4.253 -7.905 2.493 71 1HB GLN 9 2HB GLN 9 1.909 -9.813 2.292 72 2HB GLN 9 1HB GLN 9 2.524 -8.895 0.926 73 1HG GLN 9 2HG GLN 9 4.645 -10.014 1.024 74 2HG GLN 9 1HG GLN 9 4.214 -10.814 2.538 75 1HE2 GLN 9 1HE2 GLN 9 3.783 -10.903 -0.959 76 2HE2 GLN 9 2HE2 GLN 9 2.864 -12.330 -0.994 77 H GLN 10 H GLN 10 1.106 -8.224 4.093 78 HA GLN 10 HA GLN 10 -0.307 -6.005 2.924 79 1HB GLN 10 2HB GLN 10 -0.671 -8.053 4.819 80 2HB GLN 10 1HB GLN 10 -0.947 -6.566 5.691 81 1HG GLN 10 2HG GLN 10 -2.950 -6.361 4.730 82 2HG GLN 10 1HG GLN 10 -2.198 -6.318 3.167 83 1HE2 GLN 10 1HE2 GLN 10 -1.207 -9.182 3.319 84 2HE2 GLN 10 2HE2 GLN 10 -2.596 -10.149 3.222 85 H ASN 11 H ASN 11 1.601 -6.267 5.932 86 HA ASN 11 HA ASN 11 1.333 -3.493 6.696 87 1HB ASN 11 2HB ASN 11 1.943 -5.576 8.106 88 2HB ASN 11 1HB ASN 11 3.570 -5.416 7.441 89 1HD2 ASN 11 1HD2 ASN 11 4.921 -3.738 8.296 90 2HD2 ASN 11 2HD2 ASN 11 4.415 -2.674 9.517 91 H ALA 12 H ALA 12 3.920 -5.378 5.062 92 HA ALA 12 HA ALA 12 5.770 -3.211 4.698 93 1HB ALA 12 1HB ALA 12 5.225 -5.856 3.341 94 2HB ALA 12 2HB ALA 12 6.594 -5.403 4.365 95 3HB ALA 12 3HB ALA 12 6.468 -4.760 2.724 96 H PHE 13 H PHE 13 3.123 -4.496 2.673 97 HA PHE 13 HA PHE 13 3.401 -2.789 0.390 98 1HB PHE 13 2HB PHE 13 1.921 -4.722 0.360 99 2HB PHE 13 1HB PHE 13 1.046 -4.149 1.772 100 HD1 PHE 13 HD1 PHE 13 2.097 -2.477 -1.404 101 HD2 PHE 13 HD2 PHE 13 -1.133 -3.591 1.175 102 HE1 PHE 13 HE1 PHE 13 0.497 -1.391 -2.932 103 HE2 PHE 13 HE2 PHE 13 -2.731 -2.486 -0.342 104 HZ PHE 13 HZ PHE 13 -1.917 -1.390 -2.390 105 H TYR 14 H TYR 14 1.251 -2.520 3.220 106 HA TYR 14 HA TYR 14 0.181 0.044 2.829 107 1HB TYR 14 2HB TYR 14 -0.452 -1.654 4.499 108 2HB TYR 14 1HB TYR 14 1.025 -1.303 5.397 109 HD1 TYR 14 HD1 TYR 14 -2.152 0.170 4.159 110 HD2 TYR 14 HD2 TYR 14 1.210 0.629 6.772 111 HE1 TYR 14 HE1 TYR 14 -3.282 1.946 5.262 112 HE2 TYR 14 HE2 TYR 14 0.062 2.509 7.891 113 HH TYR 14 HH TYR 14 -2.306 3.287 8.238 114 H GLU 15 H GLU 15 3.075 -0.828 4.801 115 HA GLU 15 HA GLU 15 3.861 1.831 5.458 116 1HB GLU 15 2HB GLU 15 5.388 -0.775 5.199 117 2HB GLU 15 1HB GLU 15 6.091 0.695 5.868 118 1HG GLU 15 2HG GLU 15 3.643 -0.742 6.952 119 2HG GLU 15 1HG GLU 15 5.245 -0.756 7.676 120 H ILE 16 H ILE 16 4.816 -0.263 2.663 121 HA ILE 16 HA ILE 16 6.708 1.518 1.453 122 HB ILE 16 HB ILE 16 4.876 -0.700 0.588 123 1HG1 ILE 16 2HG1 ILE 16 7.701 -0.469 -0.284 124 2HG1 ILE 16 1HG1 ILE 16 7.454 -0.519 1.456 125 1HG2 ILE 16 2HG2 ILE 16 6.145 1.227 -1.349 126 2HG2 ILE 16 1HG2 ILE 16 5.788 -0.442 -1.793 127 3HG2 ILE 16 3HG2 ILE 16 4.483 0.645 -1.322 128 1HD1 ILE 16 3HD1 ILE 16 5.852 -2.481 -0.038 129 2HD1 ILE 16 2HD1 ILE 16 7.615 -2.723 -0.151 130 3HD1 ILE 16 1HD1 ILE 16 6.830 -2.680 1.427 131 H LEU 17 H LEU 17 3.162 1.334 1.114 132 HA LEU 17 HA LEU 17 2.862 3.657 -0.622 133 1HB LEU 17 2HB LEU 17 0.931 2.316 1.302 134 2HB LEU 17 1HB LEU 17 0.477 3.464 0.050 135 HG LEU 17 HG LEU 17 2.072 1.256 -1.002 136 1HD1 LEU 17 2HD1 LEU 17 0.226 0.521 0.956 137 2HD1 LEU 17 1HD1 LEU 17 -0.620 0.290 -0.583 138 3HD1 LEU 17 3HD1 LEU 17 0.917 -0.510 -0.288 139 1HD2 LEU 17 1HD2 LEU 17 0.361 3.040 -2.036 140 2HD2 LEU 17 3HD2 LEU 17 0.656 1.444 -2.762 141 3HD2 LEU 17 2HD2 LEU 17 -0.760 1.679 -1.714 142 H HIS 18 H HIS 18 2.736 3.227 2.934 143 HA HIS 18 HA HIS 18 1.966 6.029 3.406 144 1HB HIS 18 2HB HIS 18 2.465 3.580 5.104 145 2HB HIS 18 1HB HIS 18 2.180 5.156 5.838 146 HD1 HIS 18 HD1 HIS 18 -0.228 6.084 5.776 147 HD2 HIS 18 HD2 HIS 18 0.141 2.483 3.742 148 HE1 HIS 18 HE1 HIS 18 -2.563 5.247 5.189 149 H LEU 19 H LEU 19 5.049 4.616 2.860 150 HA LEU 19 HA LEU 19 6.606 5.952 4.902 151 1HB LEU 19 2HB LEU 19 7.141 4.723 2.203 152 2HB LEU 19 1HB LEU 19 8.411 5.671 2.968 153 HG LEU 19 HG LEU 19 6.997 3.395 4.387 154 1HD1 LEU 19 1HD1 LEU 19 9.451 3.388 2.619 155 2HD1 LEU 19 3HD1 LEU 19 9.187 2.156 3.853 156 3HD1 LEU 19 2HD1 LEU 19 8.039 2.338 2.529 157 1HD2 LEU 19 1HD2 LEU 19 8.420 5.281 5.578 158 2HD2 LEU 19 3HD2 LEU 19 8.631 3.592 6.047 159 3HD2 LEU 19 2HD2 LEU 19 9.784 4.359 4.955 160 HA PRO 20 HA PRO 20 5.909 10.110 3.467 161 1HB PRO 20 2HB PRO 20 7.909 11.338 4.897 162 2HB PRO 20 1HB PRO 20 6.354 10.832 5.589 163 1HG PRO 20 2HG PRO 20 8.990 9.423 5.635 164 2HG PRO 20 1HG PRO 20 7.827 9.672 6.949 165 1HD PRO 20 1HD PRO 20 7.962 7.338 5.660 166 2HD PRO 20 2HD PRO 20 6.400 8.009 6.186 167 H ASN 21 H ASN 21 8.991 8.451 2.860 168 HA ASN 21 HA ASN 21 9.663 10.628 0.901 169 1HB ASN 21 2HB ASN 21 11.431 8.766 2.507 170 2HB ASN 21 1HB ASN 21 12.029 9.883 1.280 171 1HD2 ASN 21 1HD2 ASN 21 10.996 9.640 4.599 172 2HD2 ASN 21 2HD2 ASN 21 11.113 11.291 4.967 173 H LEU 22 H LEU 22 8.191 7.725 0.781 174 HA LEU 22 HA LEU 22 9.843 6.518 -1.365 175 1HB LEU 22 2HB LEU 22 7.408 5.729 0.223 176 2HB LEU 22 1HB LEU 22 7.684 4.951 -1.329 177 HG LEU 22 HG LEU 22 9.217 4.693 1.225 178 1HD1 LEU 22 3HD1 LEU 22 8.397 2.916 -1.075 179 2HD1 LEU 22 2HD1 LEU 22 9.521 2.364 0.174 180 3HD1 LEU 22 1HD1 LEU 22 7.874 2.832 0.607 181 1HD2 LEU 22 1HD2 LEU 22 10.493 4.546 -1.521 182 2HD2 LEU 22 3HD2 LEU 22 10.987 5.574 -0.161 183 3HD2 LEU 22 2HD2 LEU 22 11.194 3.819 -0.072 184 H ASN 23 H ASN 23 9.355 6.643 -3.492 185 HA ASN 23 HA ASN 23 7.038 8.379 -4.282 186 1HB ASN 23 2HB ASN 23 8.442 8.761 -6.361 187 2HB ASN 23 1HB ASN 23 9.146 9.366 -4.879 188 1HD2 ASN 23 1HD2 ASN 23 11.197 8.496 -4.235 189 2HD2 ASN 23 2HD2 ASN 23 11.994 7.270 -5.097 190 H GLU 24 H GLU 24 6.790 7.779 -6.911 191 HA GLU 24 HA GLU 24 5.302 5.308 -6.898 192 1HB GLU 24 2HB GLU 24 6.214 7.287 -8.998 193 2HB GLU 24 1HB GLU 24 5.361 5.820 -9.468 194 1HG GLU 24 2HG GLU 24 3.601 7.343 -9.207 195 2HG GLU 24 1HG GLU 24 3.628 6.539 -7.643 196 H GLU 25 H GLU 25 8.553 6.118 -8.254 197 HA GLU 25 HA GLU 25 8.998 3.577 -9.522 198 1HB GLU 25 2HB GLU 25 10.329 5.662 -9.867 199 2HB GLU 25 1HB GLU 25 10.990 5.487 -8.242 200 1HG GLU 25 2HG GLU 25 12.585 4.584 -9.855 201 2HG GLU 25 1HG GLU 25 11.920 3.262 -8.896 202 H GLN 26 H GLN 26 9.839 4.726 -6.233 203 HA GLN 26 HA GLN 26 10.977 2.175 -5.387 204 1HB GLN 26 2HB GLN 26 10.412 4.868 -4.272 205 2HB GLN 26 1HB GLN 26 10.513 3.553 -3.103 206 1HG GLN 26 2HG GLN 26 12.733 4.559 -3.444 207 2HG GLN 26 1HG GLN 26 12.711 2.901 -4.029 208 1HE2 GLN 26 1HE2 GLN 26 13.277 2.560 -6.220 209 2HE2 GLN 26 2HE2 GLN 26 13.506 3.810 -7.344 210 H ARG 27 H ARG 27 7.965 3.881 -4.374 211 HA ARG 27 HA ARG 27 6.923 1.803 -2.750 212 1HB ARG 27 2HB ARG 27 6.096 4.126 -2.786 213 2HB ARG 27 1HB ARG 27 5.508 3.905 -4.431 214 1HG ARG 27 2HG ARG 27 4.022 2.069 -3.569 215 2HG ARG 27 1HG ARG 27 4.476 2.555 -1.936 216 1HD ARG 27 2HD ARG 27 2.399 3.685 -2.491 217 2HD ARG 27 1HD ARG 27 3.685 4.906 -2.543 218 HE ARG 27 HE ARG 27 2.804 3.471 -5.029 219 1HH1 ARG 27 1HH1 ARG 27 4.841 5.916 -4.097 220 2HH1 ARG 27 2HH1 ARG 27 4.150 7.146 -5.097 221 1HH2 ARG 27 1HH2 ARG 27 1.362 5.256 -5.974 222 2HH2 ARG 27 2HH2 ARG 27 2.172 6.775 -6.155 223 H ASN 28 H ASN 28 6.180 2.498 -6.228 224 HA ASN 28 HA ASN 28 4.251 0.373 -6.534 225 1HB ASN 28 2HB ASN 28 5.950 1.699 -8.646 226 2HB ASN 28 1HB ASN 28 4.438 0.873 -8.920 227 1HD2 ASN 28 1HD2 ASN 28 4.478 3.430 -9.862 228 2HD2 ASN 28 2HD2 ASN 28 3.617 4.482 -8.846 229 H ALA 29 H ALA 29 7.766 0.550 -7.287 230 HA ALA 29 HA ALA 29 8.044 -2.059 -8.471 231 1HB ALA 29 3HB ALA 29 9.683 -0.105 -8.303 232 2HB ALA 29 1HB ALA 29 10.358 -1.715 -8.044 233 3HB ALA 29 2HB ALA 29 10.016 -0.672 -6.659 234 H PHE 30 H PHE 30 8.106 -0.918 -5.107 235 HA PHE 30 HA PHE 30 8.901 -3.338 -3.826 236 1HB PHE 30 2HB PHE 30 7.350 -0.868 -3.091 237 2HB PHE 30 1HB PHE 30 7.483 -2.195 -1.938 238 HD1 PHE 30 HD1 PHE 30 10.317 -3.066 -3.083 239 HD2 PHE 30 HD2 PHE 30 8.669 0.631 -1.662 240 HE1 PHE 30 HE1 PHE 30 12.547 -2.352 -2.389 241 HE2 PHE 30 HE2 PHE 30 10.926 1.353 -0.968 242 HZ PHE 30 HZ PHE 30 12.854 -0.190 -1.322 243 H ILE 31 H ILE 31 5.715 -2.056 -4.636 244 HA ILE 31 HA ILE 31 4.200 -4.227 -3.512 245 HB ILE 31 HB ILE 31 3.691 -2.194 -5.702 246 1HG1 ILE 31 2HG1 ILE 31 2.647 -2.258 -2.898 247 2HG1 ILE 31 1HG1 ILE 31 4.221 -1.568 -3.240 248 1HG2 ILE 31 3HG2 ILE 31 2.131 -4.478 -4.883 249 2HG2 ILE 31 2HG2 ILE 31 1.309 -2.975 -4.476 250 3HG2 ILE 31 1HG2 ILE 31 1.789 -3.289 -6.139 251 1HD1 ILE 31 1HD1 ILE 31 1.682 -0.726 -4.651 252 2HD1 ILE 31 3HD1 ILE 31 2.320 0.074 -3.197 253 3HD1 ILE 31 2HD1 ILE 31 3.278 0.082 -4.680 254 H GLN 32 H GLN 32 5.992 -3.864 -6.589 255 HA GLN 32 HA GLN 32 4.796 -6.224 -7.847 256 1HB GLN 32 2HB GLN 32 7.309 -4.589 -8.344 257 2HB GLN 32 1HB GLN 32 6.800 -5.921 -9.387 258 1HG GLN 32 2HG GLN 32 4.644 -4.783 -9.792 259 2HG GLN 32 1HG GLN 32 5.148 -3.451 -8.756 260 1HE2 GLN 32 1HE2 GLN 32 4.722 -3.959 -11.907 261 2HE2 GLN 32 2HE2 GLN 32 6.043 -3.124 -12.563 262 H SER 33 H SER 33 7.877 -5.578 -6.098 263 HA SER 33 HA SER 33 8.828 -8.329 -6.101 264 1HB SER 33 2HB SER 33 10.394 -7.366 -4.371 265 2HB SER 33 1HB SER 33 10.367 -6.505 -5.907 266 HG SER 33 HG SER 33 10.046 -4.883 -4.564 267 H LEU 34 H LEU 34 6.780 -6.448 -3.970 268 HA LEU 34 HA LEU 34 6.824 -8.281 -1.701 269 1HB LEU 34 2HB LEU 34 6.593 -5.812 -1.631 270 2HB LEU 34 1HB LEU 34 5.066 -5.935 -2.490 271 HG LEU 34 HG LEU 34 4.267 -7.387 -0.539 272 1HD1 LEU 34 2HD1 LEU 34 6.836 -6.280 0.570 273 2HD1 LEU 34 1HD1 LEU 34 5.497 -6.793 1.598 274 3HD1 LEU 34 3HD1 LEU 34 6.292 -7.958 0.541 275 1HD2 LEU 34 2HD2 LEU 34 3.920 -4.833 -1.014 276 2HD2 LEU 34 1HD2 LEU 34 3.498 -5.487 0.562 277 3HD2 LEU 34 3HD2 LEU 34 5.013 -4.622 0.354 278 H LYS 35 H LYS 35 4.395 -7.502 -4.272 279 HA LYS 35 HA LYS 35 2.366 -9.315 -3.315 280 1HB LYS 35 2HB LYS 35 2.919 -7.743 -5.795 281 2HB LYS 35 1HB LYS 35 1.773 -9.043 -5.948 282 1HG LYS 35 2HG LYS 35 0.991 -7.848 -3.601 283 2HG LYS 35 1HG LYS 35 1.446 -6.491 -4.631 284 1HD LYS 35 2HD LYS 35 -0.269 -6.854 -6.085 285 2HD LYS 35 1HD LYS 35 -0.144 -8.608 -5.953 286 1HE LYS 35 2HE LYS 35 -1.032 -7.312 -3.460 287 2HE LYS 35 1HE LYS 35 -2.154 -7.105 -4.815 288 1HZ LYS 35 3HZ LYS 35 -0.952 -9.697 -3.970 289 2HZ LYS 35 2HZ LYS 35 -2.542 -9.204 -3.634 290 3HZ LYS 35 1HZ LYS 35 -2.058 -9.479 -5.240 291 H ASP 36 H ASP 36 5.181 -9.815 -5.421 292 HA ASP 36 HA ASP 36 4.320 -12.576 -6.089 293 1HB ASP 36 2HB ASP 36 6.609 -10.765 -6.888 294 2HB ASP 36 1HB ASP 36 6.530 -12.453 -7.395 295 H ASP 37 H ASP 37 6.634 -10.965 -3.887 296 HA ASP 37 HA ASP 37 7.609 -13.685 -3.050 297 1HB ASP 37 2HB ASP 37 9.158 -11.886 -4.168 298 2HB ASP 37 1HB ASP 37 9.126 -11.129 -2.576 299 HA PRO 38 HA PRO 38 5.383 -12.268 0.673 300 1HB PRO 38 2HB PRO 38 5.131 -14.766 1.759 301 2HB PRO 38 1HB PRO 38 4.047 -14.142 0.500 302 1HG PRO 38 2HG PRO 38 6.394 -15.956 0.229 303 2HG PRO 38 1HG PRO 38 4.796 -16.057 -0.530 304 1HD PRO 38 1HD PRO 38 6.944 -15.105 -1.840 305 2HD PRO 38 2HD PRO 38 5.299 -14.491 -2.123 306 H SER 39 H SER 39 8.124 -14.589 0.625 307 HA SER 39 HA SER 39 8.884 -14.295 3.383 308 1HB SER 39 2HB SER 39 10.467 -15.074 0.914 309 2HB SER 39 1HB SER 39 11.008 -15.331 2.570 310 HG SER 39 HG SER 39 9.834 -17.066 2.565 311 H GLN 40 H GLN 40 9.884 -12.443 0.475 312 HA GLN 40 HA GLN 40 11.865 -10.901 2.032 313 1HB GLN 40 2HB GLN 40 11.615 -11.654 -0.598 314 2HB GLN 40 1HB GLN 40 11.037 -9.989 -0.666 315 1HG GLN 40 2HG GLN 40 13.355 -9.764 -0.985 316 2HG GLN 40 1HG GLN 40 13.153 -9.427 0.733 317 1HE2 GLN 40 1HE2 GLN 40 14.224 -10.827 2.219 318 2HE2 GLN 40 2HE2 GLN 40 15.082 -12.213 1.746 319 H SER 41 H SER 41 8.524 -10.720 2.000 320 HA SER 41 HA SER 41 7.915 -8.031 1.368 321 1HB SER 41 2HB SER 41 5.909 -8.444 2.727 322 2HB SER 41 1HB SER 41 6.308 -9.889 1.809 323 HG SER 41 HG SER 41 6.591 -10.904 3.628 324 H ALA 42 H ALA 42 8.934 -9.343 4.613 325 HA ALA 42 HA ALA 42 8.784 -6.794 5.982 326 1HB ALA 42 1HB ALA 42 10.670 -9.130 6.318 327 2HB ALA 42 2HB ALA 42 9.092 -8.964 7.101 328 3HB ALA 42 3HB ALA 42 10.408 -7.856 7.504 329 H ASN 43 H ASN 43 11.463 -8.463 4.285 330 HA ASN 43 HA ASN 43 13.537 -6.531 4.575 331 1HB ASN 43 2HB ASN 43 12.802 -8.762 2.785 332 2HB ASN 43 1HB ASN 43 13.855 -7.547 2.043 333 1HD2 ASN 43 1HD2 ASN 43 15.801 -6.901 3.635 334 2HD2 ASN 43 2HD2 ASN 43 16.546 -8.203 4.431 335 H LEU 44 H LEU 44 10.840 -6.820 2.276 336 HA LEU 44 HA LEU 44 11.585 -4.677 0.527 337 1HB LEU 44 2HB LEU 44 9.045 -6.118 1.197 338 2HB LEU 44 1HB LEU 44 9.066 -4.793 0.030 339 HG LEU 44 HG LEU 44 10.932 -7.154 -0.075 340 1HD1 LEU 44 3HD1 LEU 44 8.249 -7.239 -0.495 341 2HD1 LEU 44 2HD1 LEU 44 8.843 -6.858 -2.113 342 3HD1 LEU 44 1HD1 LEU 44 9.413 -8.307 -1.278 343 1HD2 LEU 44 2HD2 LEU 44 10.892 -4.554 -1.286 344 2HD2 LEU 44 1HD2 LEU 44 12.012 -5.904 -1.565 345 3HD2 LEU 44 3HD2 LEU 44 10.540 -5.785 -2.547 346 H LEU 45 H LEU 45 9.541 -4.814 3.445 347 HA LEU 45 HA LEU 45 8.945 -1.958 3.285 348 1HB LEU 45 2HB LEU 45 7.535 -3.351 4.587 349 2HB LEU 45 1HB LEU 45 8.890 -4.002 5.506 350 HG LEU 45 HG LEU 45 9.272 -1.896 6.581 351 1HD1 LEU 45 1HD1 LEU 45 7.279 -0.821 4.563 352 2HD1 LEU 45 3HD1 LEU 45 7.720 0.072 6.018 353 3HD1 LEU 45 2HD1 LEU 45 8.949 -0.300 4.809 354 1HD2 LEU 45 1HD2 LEU 45 7.397 -3.350 7.363 355 2HD2 LEU 45 3HD2 LEU 45 7.219 -1.652 7.809 356 3HD2 LEU 45 2HD2 LEU 45 6.284 -2.314 6.467 357 H ALA 46 H ALA 46 11.416 -3.953 4.970 358 HA ALA 46 HA ALA 46 12.831 -1.871 6.353 359 1HB ALA 46 1HB ALA 46 13.507 -4.513 5.071 360 2HB ALA 46 3HB ALA 46 14.816 -3.490 5.672 361 3HB ALA 46 2HB ALA 46 13.560 -4.061 6.782 362 H GLU 47 H GLU 47 13.321 -3.117 2.992 363 HA GLU 47 HA GLU 47 15.390 -1.194 2.399 364 1HB GLU 47 2HB GLU 47 15.114 -1.985 0.067 365 2HB GLU 47 1HB GLU 47 15.278 -3.314 1.202 366 1HG GLU 47 2HG GLU 47 12.761 -3.432 1.174 367 2HG GLU 47 1HG GLU 47 12.836 -2.348 -0.212 368 H ALA 48 H ALA 48 11.810 -1.250 1.994 369 HA ALA 48 HA ALA 48 11.651 1.220 0.526 370 1HB ALA 48 3HB ALA 48 9.929 -0.556 0.856 371 2HB ALA 48 2HB ALA 48 9.791 -0.053 2.549 372 3HB ALA 48 1HB ALA 48 9.328 1.051 1.244 373 H LYS 49 H LYS 49 11.835 0.409 3.992 374 HA LYS 49 HA LYS 49 11.420 3.128 4.960 375 1HB LYS 49 2HB LYS 49 11.978 0.400 5.951 376 2HB LYS 49 1HB LYS 49 12.630 1.674 6.968 377 1HG LYS 49 2HG LYS 49 10.544 2.528 7.477 378 2HG LYS 49 1HG LYS 49 9.864 2.053 5.920 379 1HD LYS 49 2HD LYS 49 8.838 0.556 7.370 380 2HD LYS 49 1HD LYS 49 10.223 -0.373 6.786 381 1HE LYS 49 2HE LYS 49 11.499 0.188 8.774 382 2HE LYS 49 1HE LYS 49 10.203 1.264 9.335 383 1HZ LYS 49 1HZ LYS 49 9.916 -1.660 8.828 384 2HZ LYS 49 3HZ LYS 49 10.024 -0.941 10.360 385 3HZ LYS 49 2HZ LYS 49 8.683 -0.620 9.367 386 H LYS 50 H LYS 50 14.084 1.018 4.126 387 HA LYS 50 HA LYS 50 16.349 2.581 4.950 388 1HB LYS 50 2HB LYS 50 16.686 0.297 4.411 389 2HB LYS 50 1HB LYS 50 15.639 0.397 3.013 390 1HG LYS 50 2HG LYS 50 17.566 1.998 2.104 391 2HG LYS 50 1HG LYS 50 18.535 1.058 3.242 392 1HD LYS 50 2HD LYS 50 16.666 -0.263 1.243 393 2HD LYS 50 1HD LYS 50 18.351 0.109 0.857 394 1HE LYS 50 2HE LYS 50 19.040 -1.221 2.902 395 2HE LYS 50 1HE LYS 50 17.343 -1.720 3.070 396 1HZ LYS 50 2HZ LYS 50 17.407 -2.525 0.769 397 2HZ LYS 50 1HZ LYS 50 19.051 -2.109 0.659 398 3HZ LYS 50 3HZ LYS 50 18.554 -3.323 1.733 399 H LEU 51 H LEU 51 14.302 2.443 2.029 400 HA LEU 51 HA LEU 51 15.745 4.452 0.490 401 1HB LEU 51 2HB LEU 51 13.263 2.827 0.372 402 2HB LEU 51 1HB LEU 51 13.177 4.358 -0.486 403 HG LEU 51 HG LEU 51 14.748 3.728 -2.045 404 1HD1 LEU 51 3HD1 LEU 51 15.912 2.081 0.169 405 2HD1 LEU 51 2HD1 LEU 51 16.274 1.640 -1.498 406 3HD1 LEU 51 1HD1 LEU 51 16.713 3.241 -0.896 407 1HD2 LEU 51 2HD2 LEU 51 12.828 1.807 -1.381 408 2HD2 LEU 51 1HD2 LEU 51 13.703 1.944 -2.911 409 3HD2 LEU 51 3HD2 LEU 51 14.321 0.898 -1.637 410 H ASN 52 H ASN 52 12.960 4.418 2.673 411 HA ASN 52 HA ASN 52 11.949 7.034 2.336 412 1HB ASN 52 2HB ASN 52 10.956 5.127 3.614 413 2HB ASN 52 1HB ASN 52 12.174 5.368 4.863 414 1HD2 ASN 52 1HD2 ASN 52 11.751 6.948 6.443 415 2HD2 ASN 52 2HD2 ASN 52 10.439 8.023 6.375 416 H ASP 53 H ASP 53 14.575 5.840 4.464 417 HA ASP 53 HA ASP 53 15.135 8.524 5.556 418 1HB ASP 53 2HB ASP 53 16.621 5.882 5.757 419 2HB ASP 53 1HB ASP 53 16.929 7.308 6.744 420 H ALA 54 H ALA 54 16.686 6.301 3.200 421 HA ALA 54 HA ALA 54 19.051 7.893 2.728 422 1HB ALA 54 1HB ALA 54 17.580 5.923 0.940 423 2HB ALA 54 3HB ALA 54 19.265 6.412 0.763 424 3HB ALA 54 2HB ALA 54 18.761 5.484 2.176 425 H GLN 55 H GLN 55 15.991 7.583 0.875 426 HA GLN 55 HA GLN 55 16.571 9.691 -1.022 427 1HB GLN 55 2HB GLN 55 13.979 8.408 -0.114 428 2HB GLN 55 1HB GLN 55 14.132 9.462 -1.518 429 1HG GLN 55 2HG GLN 55 15.824 7.875 -2.471 430 2HG GLN 55 1HG GLN 55 15.526 6.787 -1.114 431 1HE2 GLN 55 1HE2 GLN 55 12.838 6.684 -0.811 432 2HE2 GLN 55 2HE2 GLN 55 12.057 6.220 -2.245 433 H ALA 56 H ALA 56 15.220 9.646 2.242 434 HA ALA 56 HA ALA 56 13.757 12.071 2.333 435 1HB ALA 56 2HB ALA 56 14.996 11.931 4.783 436 2HB ALA 56 3HB ALA 56 15.146 10.268 4.213 437 3HB ALA 56 1HB ALA 56 13.555 11.018 4.343 438 HA PRO 57 HA PRO 57 16.709 15.278 2.013 439 1HB PRO 57 2HB PRO 57 15.520 17.202 3.559 440 2HB PRO 57 1HB PRO 57 14.942 16.754 1.943 441 1HG PRO 57 2HG PRO 57 13.917 15.914 4.610 442 2HG PRO 57 1HG PRO 57 13.025 16.360 3.147 443 1HD PRO 57 1HD PRO 57 13.414 13.786 3.908 444 2HD PRO 57 2HD PRO 57 13.259 14.277 2.208 445 H LYS 58 H LYS 58 15.774 14.122 5.225 446 HA LYS 58 HA LYS 58 18.447 14.987 6.283 447 1HB LYS 58 2HB LYS 58 16.391 16.278 7.074 448 2HB LYS 58 1HB LYS 58 15.845 14.783 7.835 449 1HG LYS 58 2HG LYS 58 16.990 15.966 9.552 450 2HG LYS 58 1HG LYS 58 18.135 14.738 9.007 451 1HD LYS 58 2HD LYS 58 19.365 16.323 7.706 452 2HD LYS 58 1HD LYS 58 18.098 17.540 7.861 453 1HE LYS 58 2HE LYS 58 19.014 16.653 10.491 454 2HE LYS 58 1HE LYS 58 20.357 17.282 9.515 455 1HZ LYS 58 3HZ LYS 58 17.733 18.641 9.888 456 2HZ LYS 58 2HZ LYS 58 19.170 19.062 10.688 457 3HZ LYS 58 1HZ LYS 58 19.052 19.242 9.005 458 H1 VAL 1 1H VAL 1 2.443 -3.096 -22.132 459 H2 VAL 1 3H VAL 1 4.068 -2.640 -22.321 460 H3 VAL 1 2H VAL 1 3.609 -4.259 -22.544 461 HA VAL 1 HA VAL 1 4.667 -4.087 -20.415 462 HB VAL 1 HB VAL 1 4.219 -1.587 -20.366 463 1HG1 VAL 1 3HG1 VAL 1 1.761 -1.710 -20.765 464 2HG1 VAL 1 2HG1 VAL 1 1.559 -2.435 -19.171 465 3HG1 VAL 1 1HG1 VAL 1 2.161 -0.784 -19.319 466 1HG2 VAL 1 1HG2 VAL 1 5.151 -2.841 -18.426 467 2HG2 VAL 1 3HG2 VAL 1 4.179 -1.456 -17.927 468 3HG2 VAL 1 2HG2 VAL 1 3.511 -3.084 -17.824 469 H ASP 2 H ASP 2 3.919 -5.369 -18.634 470 HA ASP 2 HA ASP 2 1.481 -6.919 -19.141 471 1HB ASP 2 2HB ASP 2 3.625 -7.883 -18.313 472 2HB ASP 2 1HB ASP 2 3.464 -6.939 -16.833 473 H ASN 3 H ASN 3 -0.509 -6.556 -18.206 474 HA ASN 3 HA ASN 3 -0.846 -4.288 -16.341 475 1HB ASN 3 2HB ASN 3 -2.324 -4.898 -18.356 476 2HB ASN 3 1HB ASN 3 -2.936 -6.233 -17.376 477 1HD2 ASN 3 1HD2 ASN 3 -4.600 -5.735 -15.885 478 2HD2 ASN 3 2HD2 ASN 3 -5.087 -4.156 -15.499 479 H LYS 4 H LYS 4 0.384 -5.306 -14.574 480 HA LYS 4 HA LYS 4 -0.766 -7.693 -13.241 481 1HB LYS 4 2HB LYS 4 1.710 -7.198 -13.623 482 2HB LYS 4 1HB LYS 4 1.554 -5.906 -12.438 483 1HG LYS 4 2HG LYS 4 2.332 -7.742 -11.178 484 2HG LYS 4 1HG LYS 4 0.598 -7.730 -10.867 485 1HD LYS 4 2HD LYS 4 0.239 -9.476 -12.528 486 2HD LYS 4 1HD LYS 4 1.942 -9.434 -12.984 487 1HE LYS 4 2HE LYS 4 1.277 -9.921 -10.095 488 2HE LYS 4 1HE LYS 4 1.060 -11.252 -11.246 489 1HZ LYS 4 2HZ LYS 4 3.325 -10.839 -12.065 490 2HZ LYS 4 1HZ LYS 4 3.534 -9.632 -10.885 491 3HZ LYS 4 3HZ LYS 4 3.320 -11.247 -10.416 492 H PHE 5 H PHE 5 -1.682 -7.612 -11.110 493 HA PHE 5 HA PHE 5 -3.205 -5.323 -10.360 494 1HB PHE 5 2HB PHE 5 -2.340 -7.864 -8.999 495 2HB PHE 5 1HB PHE 5 -3.320 -6.682 -8.160 496 HD1 PHE 5 HD1 PHE 5 -3.328 -9.369 -10.563 497 HD2 PHE 5 HD2 PHE 5 -5.536 -5.943 -9.198 498 HE1 PHE 5 HE1 PHE 5 -5.366 -10.233 -11.682 499 HE2 PHE 5 HE2 PHE 5 -7.569 -6.807 -10.319 500 HZ PHE 5 HZ PHE 5 -7.486 -8.953 -11.558 501 H ASN 6 H ASN 6 0.097 -6.176 -9.638 502 HA ASN 6 HA ASN 6 0.561 -4.696 -7.245 503 1HB ASN 6 2HB ASN 6 2.515 -5.000 -9.542 504 2HB ASN 6 1HB ASN 6 2.891 -4.847 -7.831 505 1HD2 ASN 6 1HD2 ASN 6 3.896 -7.042 -9.403 506 2HD2 ASN 6 2HD2 ASN 6 3.179 -8.469 -8.832 507 H LYS 7 H LYS 7 0.588 -3.757 -10.633 508 HA LYS 7 HA LYS 7 1.466 -1.039 -10.387 509 1HB LYS 7 2HB LYS 7 -0.359 -2.460 -12.354 510 2HB LYS 7 1HB LYS 7 0.265 -0.832 -12.613 511 1HG LYS 7 2HG LYS 7 2.545 -1.626 -12.676 512 2HG LYS 7 1HG LYS 7 2.058 -3.235 -12.142 513 1HD LYS 7 2HD LYS 7 2.318 -3.491 -14.470 514 2HD LYS 7 1HD LYS 7 0.580 -3.272 -14.273 515 1HE LYS 7 2HE LYS 7 1.012 -0.757 -14.677 516 2HE LYS 7 1HE LYS 7 2.615 -1.253 -15.253 517 1HZ LYS 7 2HZ LYS 7 1.515 -2.844 -16.753 518 2HZ LYS 7 1HZ LYS 7 -0.002 -2.265 -16.252 519 3HZ LYS 7 3HZ LYS 7 1.059 -1.242 -17.088 520 H GLU 8 H GLU 8 -1.692 -2.555 -10.031 521 HA GLU 8 HA GLU 8 -3.137 -0.061 -9.868 522 1HB GLU 8 2HB GLU 8 -3.725 -2.877 -9.857 523 2HB GLU 8 1HB GLU 8 -4.582 -2.087 -8.529 524 1HG GLU 8 2HG GLU 8 -4.559 -1.073 -11.372 525 2HG GLU 8 1HG GLU 8 -5.848 -2.064 -10.693 526 H LEU 9 H LEU 9 -1.561 -2.140 -7.488 527 HA LEU 9 HA LEU 9 -2.684 -0.787 -5.183 528 1HB LEU 9 2HB LEU 9 0.046 -2.047 -5.199 529 2HB LEU 9 1HB LEU 9 -1.086 -1.902 -3.911 530 HG LEU 9 HG LEU 9 -1.726 -3.608 -6.298 531 1HD1 LEU 9 1HD1 LEU 9 0.114 -4.069 -4.044 532 2HD1 LEU 9 3HD1 LEU 9 -1.115 -5.325 -4.220 533 3HD1 LEU 9 2HD1 LEU 9 -0.022 -4.961 -5.564 534 1HD2 LEU 9 1HD2 LEU 9 -3.611 -2.831 -4.845 535 2HD2 LEU 9 3HD2 LEU 9 -3.356 -4.578 -4.695 536 3HD2 LEU 9 2HD2 LEU 9 -2.769 -3.492 -3.438 537 H SER 10 H SER 10 -0.154 -0.029 -7.456 538 HA SER 10 HA SER 10 1.347 1.876 -5.901 539 1HB SER 10 2HB SER 10 2.459 1.457 -7.844 540 2HB SER 10 1HB SER 10 1.022 0.899 -8.648 541 HG SER 10 HG SER 10 1.058 2.723 -9.677 542 H VAL 11 H VAL 11 -1.318 2.222 -8.268 543 HA VAL 11 HA VAL 11 -1.837 5.052 -7.655 544 HB VAL 11 HB VAL 11 -3.452 3.063 -9.299 545 1HG1 VAL 11 1HG1 VAL 11 -3.243 6.065 -9.190 546 2HG1 VAL 11 3HG1 VAL 11 -3.798 5.252 -10.654 547 3HG1 VAL 11 2HG1 VAL 11 -4.686 5.051 -9.145 548 1HG2 VAL 11 3HG2 VAL 11 -0.995 4.670 -10.080 549 2HG2 VAL 11 2HG2 VAL 11 -1.159 2.912 -10.085 550 3HG2 VAL 11 1HG2 VAL 11 -2.068 3.888 -11.243 551 H ALA 12 H ALA 12 -3.824 2.069 -7.457 552 HA ALA 12 HA ALA 12 -5.996 3.118 -5.948 553 1HB ALA 12 2HB ALA 12 -5.667 0.884 -7.277 554 2HB ALA 12 3HB ALA 12 -6.685 0.860 -5.838 555 3HB ALA 12 1HB ALA 12 -5.023 0.262 -5.748 556 H GLY 13 H GLY 13 -3.072 1.472 -4.870 557 1HA GLY 13 1HA GLY 13 -2.122 1.191 -2.773 558 2HA GLY 13 2HA GLY 13 -3.736 1.382 -2.096 559 H ARG 14 H ARG 14 -1.333 3.473 -3.728 560 HA ARG 14 HA ARG 14 -0.812 5.053 -1.455 561 1HB ARG 14 2HB ARG 14 0.090 4.903 -4.044 562 2HB ARG 14 1HB ARG 14 -0.625 6.508 -4.014 563 1HG ARG 14 2HG ARG 14 1.441 5.405 -2.085 564 2HG ARG 14 1HG ARG 14 1.729 6.617 -3.328 565 1HD ARG 14 2HD ARG 14 0.340 8.229 -2.179 566 2HD ARG 14 1HD ARG 14 -0.208 6.992 -1.028 567 HE ARG 14 HE ARG 14 2.214 6.765 -0.340 568 1HH1 ARG 14 1HH1 ARG 14 1.078 9.388 0.635 569 2HH1 ARG 14 2HH1 ARG 14 2.302 10.513 0.149 570 1HH2 ARG 14 1HH2 ARG 14 3.811 8.298 -2.086 571 2HH2 ARG 14 2HH2 ARG 14 3.863 9.889 -1.405 572 H GLU 15 H GLU 15 -3.373 5.588 -3.947 573 HA GLU 15 HA GLU 15 -4.189 8.190 -2.956 574 1HB GLU 15 2HB GLU 15 -5.540 6.004 -4.554 575 2HB GLU 15 1HB GLU 15 -6.354 7.523 -4.171 576 1HG GLU 15 2HG GLU 15 -4.425 8.751 -5.208 577 2HG GLU 15 1HG GLU 15 -3.761 7.197 -5.708 578 H ILE 16 H ILE 16 -5.222 4.857 -2.190 579 HA ILE 16 HA ILE 16 -7.255 5.521 -0.248 580 HB ILE 16 HB ILE 16 -5.541 3.064 -0.800 581 1HG1 ILE 16 2HG1 ILE 16 -8.494 3.507 -1.291 582 2HG1 ILE 16 1HG1 ILE 16 -7.278 3.921 -2.488 583 1HG2 ILE 16 2HG2 ILE 16 -7.743 3.499 1.217 584 2HG2 ILE 16 1HG2 ILE 16 -7.468 1.905 0.505 585 3HG2 ILE 16 3HG2 ILE 16 -6.189 2.693 1.436 586 1HD1 ILE 16 1HD1 ILE 16 -6.528 1.376 -1.871 587 2HD1 ILE 16 3HD1 ILE 16 -8.273 1.271 -1.631 588 3HD1 ILE 16 2HD1 ILE 16 -7.626 1.787 -3.191 589 H VAL 17 H VAL 17 -3.744 5.297 -0.150 590 HA VAL 17 HA VAL 17 -3.355 5.162 2.721 591 HB VAL 17 HB VAL 17 -1.675 5.860 0.304 592 1HG1 VAL 17 2HG1 VAL 17 -1.044 6.476 3.114 593 2HG1 VAL 17 1HG1 VAL 17 0.197 5.566 2.256 594 3HG1 VAL 17 3HG1 VAL 17 -0.343 7.123 1.631 595 1HG2 VAL 17 2HG2 VAL 17 -2.173 3.520 1.989 596 2HG2 VAL 17 1HG2 VAL 17 -1.530 3.629 0.329 597 3HG2 VAL 17 3HG2 VAL 17 -0.458 3.847 1.712 598 H THR 18 H THR 18 -3.572 7.889 0.366 599 HA THR 18 HA THR 18 -3.664 9.729 2.720 600 HB THR 18 HB THR 18 -1.394 9.527 1.726 601 HG1 THR 18 HG1 THR 18 -1.680 11.449 2.641 602 1HG2 THR 18 2HG2 THR 18 -2.879 10.316 -0.758 603 2HG2 THR 18 1HG2 THR 18 -1.218 10.868 -0.546 604 3HG2 THR 18 3HG2 THR 18 -1.580 9.143 -0.554 605 H LEU 19 H LEU 19 -6.037 8.898 1.032 606 HA LEU 19 HA LEU 19 -6.658 11.029 -0.834 607 1HB LEU 19 2HB LEU 19 -9.046 10.295 -0.366 608 2HB LEU 19 1HB LEU 19 -7.948 9.041 -0.911 609 HG LEU 19 HG LEU 19 -7.927 9.267 1.986 610 1HD1 LEU 19 1HD1 LEU 19 -10.525 9.102 0.510 611 2HD1 LEU 19 3HD1 LEU 19 -10.319 8.169 1.989 612 3HD1 LEU 19 2HD1 LEU 19 -10.147 9.925 2.026 613 1HD2 LEU 19 2HD2 LEU 19 -8.290 7.188 -0.153 614 2HD2 LEU 19 1HD2 LEU 19 -7.107 7.249 1.147 615 3HD2 LEU 19 3HD2 LEU 19 -8.772 6.785 1.497 616 HA PRO 20 HA PRO 20 -7.371 14.656 1.386 617 1HB PRO 20 2HB PRO 20 -9.933 15.477 0.797 618 2HB PRO 20 1HB PRO 20 -8.543 15.613 -0.299 619 1HG PRO 20 2HG PRO 20 -10.632 13.475 -0.165 620 2HG PRO 20 1HG PRO 20 -10.011 14.344 -1.579 621 1HD PRO 20 1HD PRO 20 -9.125 11.911 -1.042 622 2HD PRO 20 2HD PRO 20 -7.983 13.168 -1.567 623 H ASN 21 H ASN 21 -10.032 12.346 2.234 624 HA ASN 21 HA ASN 21 -10.089 13.750 4.911 625 1HB ASN 21 2HB ASN 21 -12.332 12.741 3.182 626 2HB ASN 21 1HB ASN 21 -12.566 13.222 4.855 627 1HD2 ASN 21 1HD2 ASN 21 -13.550 14.458 2.249 628 2HD2 ASN 21 2HD2 ASN 21 -13.072 16.085 2.349 629 H LEU 22 H LEU 22 -8.845 10.979 4.055 630 HA LEU 22 HA LEU 22 -10.563 9.173 5.690 631 1HB LEU 22 2HB LEU 22 -9.214 8.707 3.458 632 2HB LEU 22 1HB LEU 22 -7.934 8.359 4.600 633 HG LEU 22 HG LEU 22 -9.790 6.935 5.799 634 1HD1 LEU 22 3HD1 LEU 22 -11.455 7.813 3.971 635 2HD1 LEU 22 2HD1 LEU 22 -10.716 6.567 2.963 636 3HD1 LEU 22 1HD1 LEU 22 -11.524 6.123 4.466 637 1HD2 LEU 22 3HD2 LEU 22 -8.083 6.297 3.417 638 2HD2 LEU 22 2HD2 LEU 22 -7.915 5.777 5.096 639 3HD2 LEU 22 1HD2 LEU 22 -9.149 5.049 4.072 640 H ASN 23 H ASN 23 -9.771 8.050 7.461 641 HA ASN 23 HA ASN 23 -7.577 9.426 8.973 642 1HB ASN 23 2HB ASN 23 -8.595 8.380 10.968 643 2HB ASN 23 1HB ASN 23 -9.781 9.305 10.063 644 1HD2 ASN 23 1HD2 ASN 23 -11.458 7.938 11.160 645 2HD2 ASN 23 2HD2 ASN 23 -11.768 6.372 10.585 646 H ASP 24 H ASP 24 -6.028 8.006 10.191 647 HA ASP 24 HA ASP 24 -4.690 6.217 8.520 648 1HB ASP 24 2HB ASP 24 -3.286 5.713 10.449 649 2HB ASP 24 1HB ASP 24 -3.667 7.427 10.372 650 HA PRO 25 HA PRO 25 -6.498 2.374 10.787 651 1HB PRO 25 2HB PRO 25 -9.109 2.521 11.621 652 2HB PRO 25 1HB PRO 25 -7.724 2.855 12.679 653 1HG PRO 25 2HG PRO 25 -9.521 4.756 11.258 654 2HG PRO 25 1HG PRO 25 -8.846 4.849 12.891 655 1HD PRO 25 1HD PRO 25 -7.845 6.251 10.806 656 2HD PRO 25 2HD PRO 25 -6.857 5.697 12.163 657 H GLN 26 H GLN 26 -8.904 4.433 8.983 658 HA GLN 26 HA GLN 26 -10.214 2.249 7.645 659 1HB GLN 26 2HB GLN 26 -9.832 5.190 7.029 660 2HB GLN 26 1HB GLN 26 -10.832 4.140 6.025 661 1HG GLN 26 2HG GLN 26 -12.286 3.621 7.869 662 2HG GLN 26 1HG GLN 26 -11.207 4.404 9.019 663 1HE2 GLN 26 1HE2 GLN 26 -13.688 5.363 9.189 664 2HE2 GLN 26 2HE2 GLN 26 -13.876 6.852 8.404 665 H LYS 27 H LYS 27 -7.599 4.439 6.460 666 HA LYS 27 HA LYS 27 -7.141 3.134 3.969 667 1HB LYS 27 2HB LYS 27 -4.759 4.053 4.271 668 2HB LYS 27 1HB LYS 27 -6.084 5.218 4.228 669 1HG LYS 27 2HG LYS 27 -5.995 5.059 6.829 670 2HG LYS 27 1HG LYS 27 -4.428 4.307 6.577 671 1HD LYS 27 2HD LYS 27 -4.006 6.648 6.842 672 2HD LYS 27 1HD LYS 27 -3.832 6.302 5.128 673 1HE LYS 27 2HE LYS 27 -5.662 7.545 4.541 674 2HE LYS 27 1HE LYS 27 -6.568 7.085 5.991 675 1HZ LYS 27 2HZ LYS 27 -5.078 8.489 7.311 676 2HZ LYS 27 1HZ LYS 27 -4.262 8.966 5.898 677 3HZ LYS 27 3HZ LYS 27 -5.886 9.397 6.126 678 H LYS 28 H LYS 28 -5.856 2.421 7.186 679 HA LYS 28 HA LYS 28 -3.877 0.497 6.487 680 1HB LYS 28 2HB LYS 28 -5.383 1.407 8.833 681 2HB LYS 28 1HB LYS 28 -5.142 -0.337 8.898 682 1HG LYS 28 2HG LYS 28 -2.824 1.343 8.123 683 2HG LYS 28 1HG LYS 28 -3.302 1.366 9.812 684 1HD LYS 28 2HD LYS 28 -2.751 -0.833 10.141 685 2HD LYS 28 1HD LYS 28 -3.155 -1.291 8.485 686 1HE LYS 28 2HE LYS 28 -1.086 -0.593 7.630 687 2HE LYS 28 1HE LYS 28 -0.771 0.479 9.005 688 1HZ LYS 28 3HZ LYS 28 -1.053 -2.459 9.331 689 2HZ LYS 28 2HZ LYS 28 0.445 -1.725 9.020 690 3HZ LYS 28 1HZ LYS 28 -0.414 -1.340 10.434 691 H ALA 29 H ALA 29 -7.239 -0.224 7.650 692 HA ALA 29 HA ALA 29 -7.258 -2.986 6.874 693 1HB ALA 29 3HB ALA 29 -9.733 -2.698 7.110 694 2HB ALA 29 1HB ALA 29 -9.498 -0.949 7.160 695 3HB ALA 29 2HB ALA 29 -8.847 -1.964 8.449 696 H PHE 30 H PHE 30 -8.014 -0.022 5.086 697 HA PHE 30 HA PHE 30 -9.266 -1.150 2.764 698 1HB PHE 30 2HB PHE 30 -8.238 1.375 3.740 699 2HB PHE 30 1HB PHE 30 -7.727 1.140 2.087 700 HD1 PHE 30 HD1 PHE 30 -9.385 0.632 0.328 701 HD2 PHE 30 HD2 PHE 30 -10.498 1.869 4.282 702 HE1 PHE 30 HE1 PHE 30 -11.669 1.233 -0.482 703 HE2 PHE 30 HE2 PHE 30 -12.758 2.469 3.478 704 HZ PHE 30 HZ PHE 30 -13.345 2.155 1.101 705 H ILE 31 H ILE 31 -5.884 -0.115 3.278 706 HA ILE 31 HA ILE 31 -4.893 -1.045 0.761 707 HB ILE 31 HB ILE 31 -3.765 -0.354 3.469 708 1HG1 ILE 31 2HG1 ILE 31 -4.040 0.890 0.787 709 2HG1 ILE 31 1HG1 ILE 31 -4.030 1.645 2.388 710 1HG2 ILE 31 3HG2 ILE 31 -2.455 -2.311 2.181 711 2HG2 ILE 31 2HG2 ILE 31 -1.830 -0.942 1.249 712 3HG2 ILE 31 1HG2 ILE 31 -1.597 -1.009 2.997 713 1HD1 ILE 31 1HD1 ILE 31 -1.509 0.482 1.296 714 2HD1 ILE 31 3HD1 ILE 31 -2.073 2.030 0.715 715 3HD1 ILE 31 2HD1 ILE 31 -1.742 1.804 2.442 716 H PHE 32 H PHE 32 -5.102 -2.524 4.002 717 HA PHE 32 HA PHE 32 -3.716 -4.937 3.395 718 1HB PHE 32 2HB PHE 32 -5.640 -3.962 5.493 719 2HB PHE 32 1HB PHE 32 -5.239 -5.679 5.450 720 HD1 PHE 32 HD1 PHE 32 -3.293 -2.352 5.061 721 HD2 PHE 32 HD2 PHE 32 -3.420 -6.359 6.858 722 HE1 PHE 32 HE1 PHE 32 -1.166 -1.979 6.165 723 HE2 PHE 32 HE2 PHE 32 -1.259 -5.890 7.885 724 HZ PHE 32 HZ PHE 32 -0.141 -3.768 7.513 725 H SER 33 H SER 33 -7.172 -3.993 2.885 726 HA SER 33 HA SER 33 -7.874 -6.700 1.907 727 1HB SER 33 2HB SER 33 -10.025 -5.613 1.349 728 2HB SER 33 1HB SER 33 -9.537 -5.220 2.989 729 HG SER 33 HG SER 33 -9.435 -3.208 2.432 730 H LEU 34 H LEU 34 -6.761 -3.611 0.546 731 HA LEU 34 HA LEU 34 -7.144 -4.148 -2.278 732 1HB LEU 34 2HB LEU 34 -6.760 -1.912 -1.502 733 2HB LEU 34 1HB LEU 34 -5.334 -2.368 -0.603 734 HG LEU 34 HG LEU 34 -4.360 -2.941 -2.926 735 1HD1 LEU 34 3HD1 LEU 34 -6.638 -2.719 -4.049 736 2HD1 LEU 34 2HD1 LEU 34 -6.489 -0.974 -3.812 737 3HD1 LEU 34 1HD1 LEU 34 -5.326 -1.835 -4.824 738 1HD2 LEU 34 2HD2 LEU 34 -3.850 -0.921 -1.397 739 2HD2 LEU 34 1HD2 LEU 34 -3.477 -0.731 -3.112 740 3HD2 LEU 34 3HD2 LEU 34 -4.944 -0.015 -2.450 741 H TRP 35 H TRP 35 -4.524 -4.818 0.023 742 HA TRP 35 HA TRP 35 -2.584 -5.849 -1.847 743 1HB TRP 35 2HB TRP 35 -2.149 -5.006 0.443 744 2HB TRP 35 1HB TRP 35 -2.997 -6.404 1.104 745 HD1 TRP 35 HD1 TRP 35 -1.616 -8.502 1.439 746 HE1 TRP 35 HE1 TRP 35 0.673 -9.337 0.647 747 HE3 TRP 35 HE3 TRP 35 -0.428 -4.764 -1.770 748 HZ2 TRP 35 HZ2 TRP 35 2.774 -8.479 -1.119 749 HZ3 TRP 35 HZ3 TRP 35 1.710 -4.793 -3.002 750 HH2 TRP 35 HH2 TRP 35 3.301 -6.628 -2.676 751 H ASP 36 H ASP 36 -4.833 -7.506 0.425 752 HA ASP 36 HA ASP 36 -4.170 -10.176 -0.436 753 1HB ASP 36 2HB ASP 36 -5.201 -9.282 1.774 754 2HB ASP 36 1HB ASP 36 -6.737 -9.298 0.906 755 H ASP 37 H ASP 37 -6.735 -7.852 -1.317 756 HA ASP 37 HA ASP 37 -7.463 -9.662 -3.558 757 1HB ASP 37 2HB ASP 37 -9.331 -8.045 -1.791 758 2HB ASP 37 1HB ASP 37 -9.830 -9.083 -3.121 759 HA PRO 38 HA PRO 38 -6.568 -5.325 -5.094 760 1HB PRO 38 2HB PRO 38 -4.959 -6.060 -7.161 761 2HB PRO 38 1HB PRO 38 -4.363 -5.721 -5.528 762 1HG PRO 38 2HG PRO 38 -4.959 -8.362 -6.800 763 2HG PRO 38 1HG PRO 38 -3.570 -7.885 -5.809 764 1HD PRO 38 1HD PRO 38 -5.614 -9.298 -4.783 765 2HD PRO 38 2HD PRO 38 -4.739 -8.075 -3.830 766 H SER 39 H SER 39 -8.155 -8.155 -6.183 767 HA SER 39 HA SER 39 -8.795 -7.559 -8.920 768 1HB SER 39 2HB SER 39 -9.376 -9.531 -7.114 769 2HB SER 39 1HB SER 39 -10.907 -8.665 -7.127 770 HG SER 39 HG SER 39 -11.183 -9.153 -9.207 771 H GLN 40 H GLN 40 -10.057 -6.460 -5.802 772 HA GLN 40 HA GLN 40 -12.064 -4.631 -7.027 773 1HB GLN 40 2HB GLN 40 -11.391 -4.853 -4.100 774 2HB GLN 40 1HB GLN 40 -12.940 -4.470 -4.841 775 1HG GLN 40 2HG GLN 40 -12.691 -6.955 -5.778 776 2HG GLN 40 1HG GLN 40 -11.637 -7.110 -4.370 777 1HE2 GLN 40 1HE2 GLN 40 -12.913 -5.599 -2.425 778 2HE2 GLN 40 2HE2 GLN 40 -14.470 -6.205 -2.131 779 H SER 41 H SER 41 -8.862 -4.300 -6.972 780 HA SER 41 HA SER 41 -8.123 -2.204 -5.243 781 1HB SER 41 2HB SER 41 -6.349 -1.798 -6.908 782 2HB SER 41 1HB SER 41 -6.560 -3.498 -6.525 783 HG SER 41 HG SER 41 -7.198 -2.076 -8.858 784 H ALA 42 H ALA 42 -9.598 -1.967 -8.507 785 HA ALA 42 HA ALA 42 -9.500 0.907 -8.772 786 1HB ALA 42 3HB ALA 42 -11.583 -1.064 -9.792 787 2HB ALA 42 2HB ALA 42 -11.172 0.496 -10.511 788 3HB ALA 42 1HB ALA 42 -10.007 -0.828 -10.553 789 H ASN 43 H ASN 43 -11.992 -1.337 -7.575 790 HA ASN 43 HA ASN 43 -13.904 0.617 -6.733 791 1HB ASN 43 2HB ASN 43 -13.343 -2.296 -6.259 792 2HB ASN 43 1HB ASN 43 -14.624 -1.499 -5.343 793 1HD2 ASN 43 1HD2 ASN 43 -16.331 -0.325 -6.746 794 2HD2 ASN 43 2HD2 ASN 43 -16.693 -0.998 -8.262 795 H LEU 44 H LEU 44 -11.072 -0.861 -5.117 796 HA LEU 44 HA LEU 44 -11.705 -0.081 -2.416 797 1HB LEU 44 2HB LEU 44 -9.416 -1.077 -4.008 798 2HB LEU 44 1HB LEU 44 -8.981 -0.204 -2.541 799 HG LEU 44 HG LEU 44 -11.196 -2.159 -2.286 800 1HD1 LEU 44 2HD1 LEU 44 -8.625 -2.900 -3.413 801 2HD1 LEU 44 1HD1 LEU 44 -8.873 -3.675 -1.844 802 3HD1 LEU 44 3HD1 LEU 44 -10.053 -3.909 -3.139 803 1HD2 LEU 44 1HD2 LEU 44 -8.858 -1.108 -0.690 804 2HD2 LEU 44 3HD2 LEU 44 -10.589 -1.045 -0.320 805 3HD2 LEU 44 2HD2 LEU 44 -9.709 -2.572 -0.179 806 H LEU 45 H LEU 45 -9.682 1.386 -4.872 807 HA LEU 45 HA LEU 45 -8.883 3.765 -3.554 808 1HB LEU 45 2HB LEU 45 -7.870 3.081 -5.627 809 2HB LEU 45 1HB LEU 45 -9.427 3.010 -6.443 810 HG LEU 45 HG LEU 45 -9.634 5.391 -6.458 811 1HD1 LEU 45 3HD1 LEU 45 -7.526 5.218 -4.352 812 2HD1 LEU 45 2HD1 LEU 45 -7.523 6.641 -5.399 813 3HD1 LEU 45 1HD1 LEU 45 -8.954 6.254 -4.445 814 1HD2 LEU 45 3HD2 LEU 45 -8.025 4.342 -8.091 815 2HD2 LEU 45 2HD2 LEU 45 -7.712 6.045 -7.761 816 3HD2 LEU 45 1HD2 LEU 45 -6.714 4.803 -7.004 817 H ALA 46 H ALA 46 -11.747 3.052 -5.556 818 HA ALA 46 HA ALA 46 -13.002 5.632 -5.429 819 1HB ALA 46 1HB ALA 46 -14.928 4.353 -6.224 820 2HB ALA 46 3HB ALA 46 -13.478 3.651 -6.949 821 3HB ALA 46 2HB ALA 46 -14.240 2.864 -5.563 822 H GLU 47 H GLU 47 -13.422 2.652 -3.514 823 HA GLU 47 HA GLU 47 -15.391 3.497 -1.668 824 1HB GLU 47 2HB GLU 47 -13.181 1.447 -1.767 825 2HB GLU 47 1HB GLU 47 -14.140 1.618 -0.298 826 1HG GLU 47 2HG GLU 47 -15.236 1.038 -3.069 827 2HG GLU 47 1HG GLU 47 -15.120 -0.115 -1.743 828 H ALA 48 H ALA 48 -11.873 3.897 -1.669 829 HA ALA 48 HA ALA 48 -11.547 4.863 1.031 830 1HB ALA 48 1HB ALA 48 -9.446 4.494 0.234 831 2HB ALA 48 2HB ALA 48 -9.573 6.023 -0.635 832 3HB ALA 48 3HB ALA 48 -10.019 4.497 -1.439 833 H LYS 49 H LYS 49 -11.901 6.529 -2.128 834 HA LYS 49 HA LYS 49 -11.981 9.232 -1.144 835 1HB LYS 49 2HB LYS 49 -13.171 7.895 -3.601 836 2HB LYS 49 1HB LYS 49 -13.044 9.641 -3.391 837 1HG LYS 49 2HG LYS 49 -10.581 9.425 -3.173 838 2HG LYS 49 1HG LYS 49 -10.718 7.688 -3.428 839 1HD LYS 49 2HD LYS 49 -11.865 8.221 -5.638 840 2HD LYS 49 1HD LYS 49 -11.383 9.899 -5.387 841 1HE LYS 49 2HE LYS 49 -8.990 8.721 -4.960 842 2HE LYS 49 1HE LYS 49 -9.699 7.527 -6.065 843 1HZ LYS 49 2HZ LYS 49 -10.269 9.324 -7.589 844 2HZ LYS 49 1HZ LYS 49 -9.572 10.467 -6.539 845 3HZ LYS 49 3HZ LYS 49 -8.596 9.303 -7.293 846 H LYS 50 H LYS 50 -14.561 6.846 -1.821 847 HA LYS 50 HA LYS 50 -16.839 8.488 -1.189 848 1HB LYS 50 2HB LYS 50 -16.294 5.503 -1.126 849 2HB LYS 50 1HB LYS 50 -17.897 6.181 -0.839 850 1HG LYS 50 2HG LYS 50 -17.958 7.164 -3.043 851 2HG LYS 50 1HG LYS 50 -16.267 6.762 -3.329 852 1HD LYS 50 2HD LYS 50 -17.515 5.090 -4.483 853 2HD LYS 50 1HD LYS 50 -16.944 4.311 -3.009 854 1HE LYS 50 2HE LYS 50 -19.107 4.589 -1.939 855 2HE LYS 50 1HE LYS 50 -19.696 5.577 -3.290 856 1HZ LYS 50 3HZ LYS 50 -19.325 3.700 -4.778 857 2HZ LYS 50 2HZ LYS 50 -18.775 2.749 -3.480 858 3HZ LYS 50 1HZ LYS 50 -20.392 3.266 -3.534 859 H LEU 51 H LEU 51 -14.796 6.346 0.838 860 HA LEU 51 HA LEU 51 -16.331 6.622 3.264 861 1HB LEU 51 2HB LEU 51 -14.735 4.804 2.836 862 2HB LEU 51 1HB LEU 51 -13.403 5.955 2.749 863 HG LEU 51 HG LEU 51 -13.590 6.474 5.094 864 1HD1 LEU 51 1HD1 LEU 51 -16.165 4.864 5.022 865 2HD1 LEU 51 3HD1 LEU 51 -15.389 5.419 6.506 866 3HD1 LEU 51 2HD1 LEU 51 -16.009 6.592 5.345 867 1HD2 LEU 51 3HD2 LEU 51 -13.938 3.510 4.575 868 2HD2 LEU 51 2HD2 LEU 51 -12.420 4.397 4.706 869 3HD2 LEU 51 1HD2 LEU 51 -13.437 4.172 6.128 870 H ASN 52 H ASN 52 -13.566 8.472 1.915 871 HA ASN 52 HA ASN 52 -13.145 10.222 4.156 872 1HB ASN 52 2HB ASN 52 -11.549 11.016 2.750 873 2HB ASN 52 1HB ASN 52 -12.034 9.723 1.692 874 1HD2 ASN 52 1HD2 ASN 52 -11.473 10.860 -0.267 875 2HD2 ASN 52 2HD2 ASN 52 -12.354 12.209 -0.804 876 H ASP 53 H ASP 53 -15.414 10.266 1.417 877 HA ASP 53 HA ASP 53 -16.476 12.885 1.715 878 1HB ASP 53 2HB ASP 53 -16.738 11.228 -0.198 879 2HB ASP 53 1HB ASP 53 -17.935 10.394 0.788 880 H ALA 54 H ALA 54 -17.209 9.818 3.378 881 HA ALA 54 HA ALA 54 -19.694 10.633 4.629 882 1HB ALA 54 3HB ALA 54 -18.460 8.316 4.228 883 2HB ALA 54 2HB ALA 54 -17.777 8.650 5.822 884 3HB ALA 54 1HB ALA 54 -19.526 8.525 5.621 885 H GLN 55 H GLN 55 -16.269 10.826 5.593 886 HA GLN 55 HA GLN 55 -16.819 11.894 8.274 887 1HB GLN 55 2HB GLN 55 -14.402 11.405 6.518 888 2HB GLN 55 1HB GLN 55 -14.241 12.139 8.103 889 1HG GLN 55 2HG GLN 55 -15.216 10.205 9.184 890 2HG GLN 55 1HG GLN 55 -15.618 9.486 7.621 891 1HE2 GLN 55 1HE2 GLN 55 -13.390 9.650 6.122 892 2HE2 GLN 55 2HE2 GLN 55 -12.057 8.908 6.880 893 H ALA 56 H ALA 56 -15.880 13.168 5.083 894 HA ALA 56 HA ALA 56 -16.541 15.944 5.947 895 1HB ALA 56 2HB ALA 56 -14.276 16.107 6.334 896 2HB ALA 56 3HB ALA 56 -14.229 16.340 4.584 897 3HB ALA 56 1HB ALA 56 -13.909 14.745 5.272 898 HA PRO 57 HA PRO 57 -18.133 15.963 1.778 899 1HB PRO 57 2HB PRO 57 -18.245 18.650 1.274 900 2HB PRO 57 1HB PRO 57 -19.353 17.826 2.386 901 1HG PRO 57 2HG PRO 57 -16.963 19.482 2.979 902 2HG PRO 57 1HG PRO 57 -18.500 19.365 3.847 903 1HD PRO 57 1HD PRO 57 -16.165 18.140 4.629 904 2HD PRO 57 2HD PRO 57 -17.792 17.605 5.100 905 H LYS 58 H LYS 58 -15.545 15.192 1.524 906 HA LYS 58 HA LYS 58 -13.530 15.299 0.303 907 1HB LYS 58 2HB LYS 58 -15.807 15.963 -1.569 908 2HB LYS 58 1HB LYS 58 -14.172 15.682 -2.171 909 1HG LYS 58 2HG LYS 58 -14.146 13.482 -1.003 910 2HG LYS 58 1HG LYS 58 -15.813 13.754 -0.500 911 1HD LYS 58 2HD LYS 58 -16.485 13.915 -2.887 912 2HD LYS 58 1HD LYS 58 -14.821 13.569 -3.359 913 1HE LYS 58 2HE LYS 58 -15.469 11.537 -1.521 914 2HE LYS 58 1HE LYS 58 -16.908 11.706 -2.543 915 1HZ LYS 58 1HZ LYS 58 -14.112 11.473 -3.539 916 2HZ LYS 58 3HZ LYS 58 -15.252 10.219 -3.540 917 3HZ LYS 58 2HZ LYS 58 -15.507 11.595 -4.503 No H/Q in entry = 917
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