NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
586411 | 2mxt | 25428 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HN GLY 1 15.968 -3.909 -6.036 2 HA2 GLY 1 HA1 GLY 1 14.529 -1.397 -6.668 3 HA3 GLY 1 HA2 GLY 1 14.033 -2.564 -5.427 4 H SER 2 HN SER 2 14.134 -0.910 -3.845 5 HA SER 2 HA SER 2 16.829 0.186 -3.209 6 HB2 SER 2 HB2 SER 2 14.111 1.298 -3.594 7 HB3 SER 2 HB3 SER 2 14.912 1.884 -2.138 8 HG SER 2 HG SER 2 15.838 1.954 -4.824 9 H GLU 3 HN GLU 3 16.509 1.254 -0.858 10 HA GLU 3 HA GLU 3 17.056 -0.551 1.100 11 HB2 GLU 3 HB2 GLU 3 17.283 1.928 1.205 12 HB3 GLU 3 HB3 GLU 3 15.543 2.106 1.183 13 HG2 GLU 3 HG2 GLU 3 16.032 2.487 3.394 14 HG3 GLU 3 HG3 GLU 3 15.559 0.791 3.454 15 H ASN 4 HN ASN 4 13.883 0.708 0.214 16 HA ASN 4 HA ASN 4 12.440 -0.289 2.423 17 HB2 ASN 4 HB2 ASN 4 10.988 0.092 -0.164 18 HB3 ASN 4 HB3 ASN 4 10.600 0.682 1.454 19 HD21 ASN 4 HD21 ASN 4 12.254 1.318 -1.589 20 HD22 ASN 4 HD22 ASN 4 12.675 2.988 -1.203 21 H PHE 5 HN PHE 5 13.242 -1.766 -0.710 22 HA PHE 5 HA PHE 5 11.147 -3.558 -0.998 23 HB2 PHE 5 HB2 PHE 5 12.881 -3.035 -2.691 24 HB3 PHE 5 HB3 PHE 5 14.052 -3.951 -1.779 25 HD1 PHE 5 HD2 PHE 5 10.534 -4.485 -3.079 26 HD2 PHE 5 HD1 PHE 5 14.502 -6.101 -2.579 27 HE1 PHE 5 HE2 PHE 5 9.841 -6.583 -4.211 28 HE2 PHE 5 HE1 PHE 5 13.801 -8.176 -3.743 29 HZ PHE 5 HZ PHE 5 11.464 -8.401 -4.572 30 H GLN 6 HN GLN 6 14.256 -4.162 0.650 31 HA GLN 6 HA GLN 6 13.620 -6.890 1.259 32 HB2 GLN 6 HB2 GLN 6 15.932 -5.998 1.171 33 HB3 GLN 6 HB3 GLN 6 15.611 -5.002 2.597 34 HG2 GLN 6 HG2 GLN 6 16.872 -7.016 3.201 35 HG3 GLN 6 HG3 GLN 6 15.290 -7.028 3.967 36 HE21 GLN 6 HE21 GLN 6 13.652 -8.549 3.194 37 HE22 GLN 6 HE22 GLN 6 14.215 -9.999 2.357 38 H THR 7 HN THR 7 13.196 -3.860 3.173 39 HA THR 7 HA THR 7 12.238 -5.131 5.525 40 HB THR 7 HB THR 7 11.757 -2.389 4.277 41 HG1 THR 7 HG1 THR 7 13.271 -1.922 6.071 42 HG21 THR 7 HG21 THR 7 11.021 -1.584 6.410 43 HG22 THR 7 HG22 THR 7 11.220 -3.196 7.158 44 HG23 THR 7 HG23 THR 7 9.966 -2.900 5.937 45 H LEU 8 HN LEU 8 10.558 -3.936 2.609 46 HA LEU 8 HA LEU 8 7.919 -4.389 3.510 47 HB2 LEU 8 HB2 LEU 8 9.248 -4.438 0.772 48 HB3 LEU 8 HB3 LEU 8 7.541 -4.674 0.965 49 HG LEU 8 HG LEU 8 9.022 -2.188 1.969 50 HD11 LEU 8 HD11 LEU 8 8.386 -1.108 -0.107 51 HD12 LEU 8 HD12 LEU 8 7.493 -2.556 -0.637 52 HD13 LEU 8 HD13 LEU 8 9.255 -2.561 -0.489 53 HD21 LEU 8 HD21 LEU 8 6.068 -2.716 1.577 54 HD22 LEU 8 HD22 LEU 8 6.786 -1.147 2.012 55 HD23 LEU 8 HD23 LEU 8 6.903 -2.504 3.111 56 H LEU 9 HN LEU 9 10.118 -6.534 1.741 57 HA LEU 9 HA LEU 9 8.355 -8.773 1.464 58 HB2 LEU 9 HB2 LEU 9 11.359 -8.417 1.743 59 HB3 LEU 9 HB3 LEU 9 10.670 -10.009 1.607 60 HG LEU 9 HG LEU 9 10.185 -7.830 -0.474 61 HD11 LEU 9 HD11 LEU 9 12.231 -10.071 -0.347 62 HD12 LEU 9 HD12 LEU 9 12.567 -8.314 -0.293 63 HD13 LEU 9 HD13 LEU 9 11.926 -9.044 -1.766 64 HD21 LEU 9 HD21 LEU 9 8.503 -9.621 -0.593 65 HD22 LEU 9 HD22 LEU 9 9.774 -10.861 -0.489 66 HD23 LEU 9 HD23 LEU 9 9.675 -9.818 -1.916 67 H ASP 10 HN ASP 10 10.269 -7.537 4.154 68 HA ASP 10 HA ASP 10 9.936 -10.111 5.627 69 HB2 ASP 10 HB2 ASP 10 12.104 -8.764 5.678 70 HB3 ASP 10 HB3 ASP 10 11.271 -7.663 6.783 71 H ALA 11 HN ALA 11 8.467 -7.036 5.417 72 HA ALA 11 HA ALA 11 6.802 -7.088 7.789 73 HB1 ALA 11 HB1 ALA 11 6.456 -5.549 5.185 74 HB2 ALA 11 HB2 ALA 11 5.748 -5.161 6.757 75 HB3 ALA 11 HB3 ALA 11 7.514 -5.020 6.512 76 H GLY 12 HN GLY 12 6.879 -9.395 5.759 77 HA2 GLY 12 HA1 GLY 12 5.400 -11.111 5.666 78 HA3 GLY 12 HA2 GLY 12 4.115 -10.058 6.146 79 H LEU 13 HN LEU 13 5.583 -8.551 3.504 80 HA LEU 13 HA LEU 13 3.187 -9.141 2.004 81 HB2 LEU 13 HB2 LEU 13 5.656 -7.544 1.209 82 HB3 LEU 13 HB3 LEU 13 4.142 -7.584 0.308 83 HG LEU 13 HG LEU 13 4.456 -6.524 3.160 84 HD11 LEU 13 HD11 LEU 13 5.492 -5.102 1.513 85 HD12 LEU 13 HD12 LEU 13 4.010 -4.346 2.081 86 HD13 LEU 13 HD13 LEU 13 4.041 -5.140 0.481 87 HD21 LEU 13 HD21 LEU 13 2.189 -7.394 2.890 88 HD22 LEU 13 HD22 LEU 13 2.022 -6.553 1.317 89 HD23 LEU 13 HD23 LEU 13 2.185 -5.636 2.833 90 HA PRO 14 HA PRO 14 4.905 -12.210 -0.825 91 HB2 PRO 14 HB2 PRO 14 3.239 -11.705 -3.002 92 HB3 PRO 14 HB3 PRO 14 2.803 -12.740 -1.604 93 HG2 PRO 14 HG2 PRO 14 2.082 -9.895 -2.162 94 HG3 PRO 14 HG3 PRO 14 1.045 -11.171 -1.461 95 HD2 PRO 14 HD2 PRO 14 2.262 -9.227 0.026 96 HD3 PRO 14 HD3 PRO 14 1.980 -10.883 0.665 97 H GLN 15 HN GLN 15 6.015 -12.109 -2.994 98 HA GLN 15 HA GLN 15 7.809 -9.867 -3.028 99 HB2 GLN 15 HB2 GLN 15 8.623 -12.044 -3.639 100 HB3 GLN 15 HB3 GLN 15 7.327 -12.302 -4.814 101 HG2 GLN 15 HG2 GLN 15 8.259 -10.724 -6.357 102 HG3 GLN 15 HG3 GLN 15 9.342 -10.052 -5.173 103 HE21 GLN 15 HE21 GLN 15 11.511 -10.673 -5.779 104 HE22 GLN 15 HE22 GLN 15 11.890 -12.277 -6.257 105 H LYS 16 HN LYS 16 5.088 -11.011 -4.999 106 HA LYS 16 HA LYS 16 5.456 -9.223 -7.046 107 HB2 LYS 16 HB2 LYS 16 3.004 -10.656 -5.956 108 HB3 LYS 16 HB3 LYS 16 2.753 -9.424 -7.170 109 HG2 LYS 16 HG2 LYS 16 2.776 -11.498 -8.250 110 HG3 LYS 16 HG3 LYS 16 4.167 -10.587 -8.786 111 HD2 LYS 16 HD2 LYS 16 4.403 -12.675 -6.584 112 HD3 LYS 16 HD3 LYS 16 4.310 -13.167 -8.272 113 HE2 LYS 16 HE2 LYS 16 6.460 -11.374 -7.088 114 HE3 LYS 16 HE3 LYS 16 6.613 -13.097 -7.476 115 HZ1 LYS 16 HZ1 LYS 16 7.513 -11.997 -9.252 116 HZ2 LYS 16 HZ2 LYS 16 6.350 -10.837 -9.338 117 HZ3 LYS 16 HZ3 LYS 16 6.013 -12.360 -9.825 118 H VAL 17 HN VAL 17 3.877 -8.657 -3.934 119 HA VAL 17 HA VAL 17 2.748 -6.058 -4.688 120 HB VAL 17 HB VAL 17 2.958 -7.622 -2.076 121 HG11 VAL 17 HG11 VAL 17 1.285 -5.125 -2.547 122 HG12 VAL 17 HG12 VAL 17 1.379 -6.094 -1.071 123 HG13 VAL 17 HG13 VAL 17 2.788 -5.162 -1.596 124 HG21 VAL 17 HG21 VAL 17 0.535 -7.030 -3.855 125 HG22 VAL 17 HG22 VAL 17 1.411 -8.573 -3.856 126 HG23 VAL 17 HG23 VAL 17 0.575 -8.046 -2.393 127 H ALA 18 HN ALA 18 5.473 -7.347 -2.670 128 HA ALA 18 HA ALA 18 6.439 -4.884 -1.733 129 HB1 ALA 18 HB1 ALA 18 8.570 -6.071 -1.399 130 HB2 ALA 18 HB2 ALA 18 7.207 -7.079 -0.890 131 HB3 ALA 18 HB3 ALA 18 8.025 -7.399 -2.441 132 H GLU 19 HN GLU 19 7.172 -6.540 -4.826 133 HA GLU 19 HA GLU 19 9.175 -4.911 -5.873 134 HB2 GLU 19 HB2 GLU 19 6.888 -6.486 -7.062 135 HB3 GLU 19 HB3 GLU 19 7.836 -5.466 -8.107 136 HG2 GLU 19 HG2 GLU 19 9.602 -7.199 -6.457 137 HG3 GLU 19 HG3 GLU 19 8.424 -8.110 -7.353 138 H LYS 20 HN LYS 20 5.626 -4.387 -6.227 139 HA LYS 20 HA LYS 20 5.920 -1.898 -7.709 140 HB2 LYS 20 HB2 LYS 20 3.616 -3.305 -6.299 141 HB3 LYS 20 HB3 LYS 20 3.451 -1.635 -6.776 142 HG2 LYS 20 HG2 LYS 20 2.431 -2.824 -8.461 143 HG3 LYS 20 HG3 LYS 20 3.939 -2.254 -9.162 144 HD2 LYS 20 HD2 LYS 20 3.733 -5.005 -7.910 145 HD3 LYS 20 HD3 LYS 20 3.066 -4.744 -9.509 146 HE2 LYS 20 HE2 LYS 20 5.942 -3.963 -8.912 147 HE3 LYS 20 HE3 LYS 20 5.493 -5.639 -9.306 148 HZ1 LYS 20 HZ1 LYS 20 6.094 -4.508 -11.299 149 HZ2 LYS 20 HZ2 LYS 20 5.085 -3.261 -11.020 150 HZ3 LYS 20 HZ3 LYS 20 4.481 -4.756 -11.355 151 H LEU 21 HN LEU 21 5.362 -2.738 -4.289 152 HA LEU 21 HA LEU 21 4.610 -0.111 -3.513 153 HB2 LEU 21 HB2 LEU 21 4.039 -2.261 -2.425 154 HB3 LEU 21 HB3 LEU 21 5.705 -2.436 -1.904 155 HG LEU 21 HG LEU 21 5.531 -0.706 -0.309 156 HD11 LEU 21 HD11 LEU 21 3.427 0.680 -0.043 157 HD12 LEU 21 HD12 LEU 21 2.921 0.110 -1.647 158 HD13 LEU 21 HD13 LEU 21 4.394 1.080 -1.452 159 HD21 LEU 21 HD21 LEU 21 2.851 -2.166 -0.352 160 HD22 LEU 21 HD22 LEU 21 3.686 -1.496 1.084 161 HD23 LEU 21 HD23 LEU 21 4.374 -2.844 0.189 162 H ASP 22 HN ASP 22 7.766 -1.740 -3.572 163 HA ASP 22 HA ASP 22 9.310 0.027 -2.002 164 HB2 ASP 22 HB2 ASP 22 10.156 -2.086 -2.712 165 HB3 ASP 22 HB3 ASP 22 9.875 -1.714 -4.401 166 H GLU 23 HN GLU 23 8.458 0.179 -5.455 167 HA GLU 23 HA GLU 23 10.007 2.460 -6.121 168 HB2 GLU 23 HB2 GLU 23 7.755 0.852 -7.301 169 HB3 GLU 23 HB3 GLU 23 7.933 2.493 -7.914 170 HG2 GLU 23 HG2 GLU 23 10.547 1.641 -7.955 171 HG3 GLU 23 HG3 GLU 23 9.702 0.135 -8.316 172 H ILE 24 HN ILE 24 7.044 2.293 -4.380 173 HA ILE 24 HA ILE 24 6.133 4.976 -5.128 174 HB ILE 24 HB ILE 24 5.299 3.305 -2.724 175 HG12 ILE 24 HG12 ILE 24 4.250 3.305 -5.590 176 HG13 ILE 24 HG13 ILE 24 4.946 1.951 -4.702 177 HG21 ILE 24 HG21 ILE 24 3.550 5.302 -4.193 178 HG22 ILE 24 HG22 ILE 24 3.440 4.700 -2.526 179 HG23 ILE 24 HG23 ILE 24 4.674 5.867 -2.969 180 HD11 ILE 24 HD11 ILE 24 2.236 3.221 -4.241 181 HD12 ILE 24 HD12 ILE 24 2.618 1.577 -4.780 182 HD13 ILE 24 HD13 ILE 24 2.986 2.068 -3.115 183 H TYR 25 HN TYR 25 8.373 3.565 -2.780 184 HA TYR 25 HA TYR 25 8.678 6.050 -1.254 185 HB2 TYR 25 HB2 TYR 25 10.245 3.499 -1.123 186 HB3 TYR 25 HB3 TYR 25 10.163 4.761 0.104 187 HD1 TYR 25 HD2 TYR 25 7.386 5.350 0.445 188 HD2 TYR 25 HD1 TYR 25 9.155 1.555 -0.436 189 HE1 TYR 25 HE2 TYR 25 5.365 4.232 1.345 190 HE2 TYR 25 HE1 TYR 25 7.214 0.418 0.593 191 HH TYR 25 HH TYR 25 5.372 0.748 2.041 192 H VAL 26 HN VAL 26 10.195 4.399 -3.966 193 HA VAL 26 HA VAL 26 12.683 5.852 -3.899 194 HB VAL 26 HB VAL 26 11.242 4.288 -6.075 195 HG11 VAL 26 HG11 VAL 26 13.468 4.071 -7.167 196 HG12 VAL 26 HG12 VAL 26 12.834 5.713 -7.203 197 HG13 VAL 26 HG13 VAL 26 14.116 5.291 -6.036 198 HG21 VAL 26 HG21 VAL 26 13.565 3.566 -4.237 199 HG22 VAL 26 HG22 VAL 26 11.925 2.931 -4.081 200 HG23 VAL 26 HG23 VAL 26 12.885 2.510 -5.494 201 H ALA 27 HN ALA 27 9.487 6.582 -5.295 202 HA ALA 27 HA ALA 27 10.670 8.580 -7.085 203 HB1 ALA 27 HB1 ALA 27 8.478 8.544 -8.170 204 HB2 ALA 27 HB2 ALA 27 9.138 6.912 -7.978 205 HB3 ALA 27 HB3 ALA 27 7.851 7.484 -6.892 206 H GLY 28 HN GLY 28 10.210 9.040 -4.032 207 HA2 GLY 28 HA1 GLY 28 10.032 10.910 -2.810 208 HA3 GLY 28 HA2 GLY 28 10.014 11.823 -4.334 209 H LEU 29 HN LEU 29 7.659 9.511 -3.242 210 HA LEU 29 HA LEU 29 5.405 11.475 -3.341 211 HB2 LEU 29 HB2 LEU 29 5.503 8.438 -3.368 212 HB3 LEU 29 HB3 LEU 29 4.016 9.362 -3.287 213 HG LEU 29 HG LEU 29 5.866 10.044 -5.568 214 HD11 LEU 29 HD11 LEU 29 5.067 8.059 -6.855 215 HD12 LEU 29 HD12 LEU 29 4.405 7.404 -5.311 216 HD13 LEU 29 HD13 LEU 29 6.133 7.656 -5.499 217 HD21 LEU 29 HD21 LEU 29 3.701 10.149 -6.775 218 HD22 LEU 29 HD22 LEU 29 3.689 11.150 -5.324 219 HD23 LEU 29 HD23 LEU 29 2.855 9.588 -5.309 220 H VAL 30 HN VAL 30 6.011 8.444 -1.498 221 HA VAL 30 HA VAL 30 5.339 9.879 1.053 222 HB VAL 30 HB VAL 30 4.139 7.869 1.739 223 HG11 VAL 30 HG11 VAL 30 2.790 9.478 0.429 224 HG12 VAL 30 HG12 VAL 30 3.154 8.583 -1.060 225 HG13 VAL 30 HG13 VAL 30 2.244 7.810 0.249 226 HG21 VAL 30 HG21 VAL 30 4.802 6.738 -1.017 227 HG22 VAL 30 HG22 VAL 30 5.422 6.184 0.533 228 HG23 VAL 30 HG23 VAL 30 3.706 5.992 0.169 229 H ALA 31 HN ALA 31 6.179 8.762 3.037 230 HA ALA 31 HA ALA 31 8.861 7.606 2.667 231 HB1 ALA 31 HB1 ALA 31 8.833 7.562 5.143 232 HB2 ALA 31 HB2 ALA 31 8.373 9.163 4.527 233 HB3 ALA 31 HB3 ALA 31 7.137 8.052 5.154 234 H HIS 32 HN HIS 32 9.386 5.456 3.605 235 HA HIS 32 HA HIS 32 7.228 3.463 3.326 236 HB2 HIS 32 HB2 HIS 32 8.774 1.831 3.390 237 HB3 HIS 32 HB3 HIS 32 9.811 3.131 2.818 238 HD1 HIS 32 HD1 HIS 32 9.154 0.920 5.907 239 HD2 HIS 32 HD2 HIS 32 11.670 4.061 4.609 240 HE1 HIS 32 HE1 HIS 32 10.978 1.177 7.667 241 H SER 33 HN SER 33 8.797 5.313 5.913 242 HA SER 33 HA SER 33 7.544 3.803 8.044 243 HB2 SER 33 HB2 SER 33 8.512 5.671 9.425 244 HB3 SER 33 HB3 SER 33 9.672 4.795 8.420 245 HG SER 33 HG SER 33 8.559 7.360 7.922 246 H ASP 34 HN ASP 34 6.106 5.812 5.791 247 HA ASP 34 HA ASP 34 4.765 7.686 7.499 248 HB2 ASP 34 HB2 ASP 34 4.957 7.126 4.647 249 HB3 ASP 34 HB3 ASP 34 3.286 7.354 5.050 250 H LEU 35 HN LEU 35 4.141 4.373 6.984 251 HA LEU 35 HA LEU 35 1.254 4.506 7.134 252 HB2 LEU 35 HB2 LEU 35 3.193 2.169 7.316 253 HB3 LEU 35 HB3 LEU 35 1.456 2.049 7.204 254 HG LEU 35 HG LEU 35 2.108 1.617 5.086 255 HD11 LEU 35 HD11 LEU 35 1.372 3.420 3.620 256 HD12 LEU 35 HD12 LEU 35 1.635 4.618 4.888 257 HD13 LEU 35 HD13 LEU 35 0.360 3.386 5.079 258 HD21 LEU 35 HD21 LEU 35 4.469 2.181 5.320 259 HD22 LEU 35 HD22 LEU 35 4.111 3.894 5.016 260 HD23 LEU 35 HD23 LEU 35 3.821 2.687 3.770 261 H ASP 36 HN ASP 36 0.006 3.463 8.764 262 HA ASP 36 HA ASP 36 1.130 3.397 11.511 263 HB2 ASP 36 HB2 ASP 36 -1.700 3.091 10.417 264 HB3 ASP 36 HB3 ASP 36 -1.263 2.852 12.087 265 H GLU 37 HN GLU 37 0.614 1.432 12.712 266 HA GLU 37 HA GLU 37 1.344 -0.971 11.374 267 HB2 GLU 37 HB2 GLU 37 1.548 -0.439 13.875 268 HB3 GLU 37 HB3 GLU 37 -0.165 -0.856 13.997 269 HG2 GLU 37 HG2 GLU 37 0.529 -3.113 12.853 270 HG3 GLU 37 HG3 GLU 37 2.176 -2.630 13.216 271 H ARG 38 HN ARG 38 -1.841 0.503 11.920 272 HA ARG 38 HA ARG 38 -3.387 -1.859 11.415 273 HB2 ARG 38 HB2 ARG 38 -4.261 0.986 10.744 274 HB3 ARG 38 HB3 ARG 38 -5.282 -0.446 10.943 275 HG2 ARG 38 HG2 ARG 38 -4.233 -0.534 13.374 276 HG3 ARG 38 HG3 ARG 38 -3.799 1.143 13.041 277 HD2 ARG 38 HD2 ARG 38 -5.808 1.568 13.953 278 HD3 ARG 38 HD3 ARG 38 -6.420 1.255 12.325 279 HE ARG 38 HE ARG 38 -6.369 -1.247 13.499 280 HH11 ARG 38 HH11 ARG 38 -8.103 1.715 14.335 281 HH12 ARG 38 HH12 ARG 38 -8.689 1.119 15.864 282 HH21 ARG 38 HH21 ARG 38 -7.538 -2.196 15.250 283 HH22 ARG 38 HH22 ARG 38 -8.493 -1.215 16.291 284 H ALA 39 HN ALA 39 -1.631 0.257 9.252 285 HA ALA 39 HA ALA 39 -2.929 -0.723 6.815 286 HB1 ALA 39 HB1 ALA 39 -1.112 0.517 5.678 287 HB2 ALA 39 HB2 ALA 39 -1.938 1.544 6.868 288 HB3 ALA 39 HB3 ALA 39 -0.349 0.833 7.230 289 H ILE 40 HN ILE 40 0.156 -1.272 8.631 290 HA ILE 40 HA ILE 40 1.287 -3.154 6.826 291 HB ILE 40 HB ILE 40 1.577 -3.136 9.860 292 HG12 ILE 40 HG12 ILE 40 2.054 -0.890 9.216 293 HG13 ILE 40 HG13 ILE 40 3.560 -1.706 9.551 294 HG21 ILE 40 HG21 ILE 40 3.793 -4.078 9.512 295 HG22 ILE 40 HG22 ILE 40 2.590 -5.129 8.773 296 HG23 ILE 40 HG23 ILE 40 3.571 -4.070 7.751 297 HD11 ILE 40 HD11 ILE 40 3.992 -1.910 7.103 298 HD12 ILE 40 HD12 ILE 40 2.456 -1.055 6.785 299 HD13 ILE 40 HD13 ILE 40 3.780 -0.231 7.628 300 H GLU 41 HN GLU 41 -0.990 -3.617 9.533 301 HA GLU 41 HA GLU 41 -1.062 -6.470 9.252 302 HB2 GLU 41 HB2 GLU 41 -1.714 -4.927 11.283 303 HB3 GLU 41 HB3 GLU 41 -3.267 -4.744 10.469 304 HG2 GLU 41 HG2 GLU 41 -3.544 -6.527 11.992 305 HG3 GLU 41 HG3 GLU 41 -3.372 -7.337 10.430 306 H ALA 42 HN ALA 42 -3.391 -3.918 8.224 307 HA ALA 42 HA ALA 42 -5.227 -5.730 7.035 308 HB1 ALA 42 HB1 ALA 42 -5.822 -3.431 7.641 309 HB2 ALA 42 HB2 ALA 42 -4.665 -2.813 6.422 310 HB3 ALA 42 HB3 ALA 42 -6.115 -3.709 5.911 311 H LEU 43 HN LEU 43 -2.182 -4.480 5.841 312 HA LEU 43 HA LEU 43 -2.509 -5.047 3.068 313 HB2 LEU 43 HB2 LEU 43 -0.229 -4.611 4.971 314 HB3 LEU 43 HB3 LEU 43 0.154 -5.473 3.502 315 HG LEU 43 HG LEU 43 -1.387 -2.881 3.420 316 HD11 LEU 43 HD11 LEU 43 0.718 -1.673 3.037 317 HD12 LEU 43 HD12 LEU 43 1.643 -3.176 3.291 318 HD13 LEU 43 HD13 LEU 43 0.725 -2.451 4.618 319 HD21 LEU 43 HD21 LEU 43 0.431 -4.103 1.310 320 HD22 LEU 43 HD22 LEU 43 -0.703 -2.727 1.134 321 HD23 LEU 43 HD23 LEU 43 -1.323 -4.350 1.358 322 H LYS 44 HN LYS 44 -1.528 -7.194 5.826 323 HA LYS 44 HA LYS 44 -1.095 -9.434 3.986 324 HB2 LYS 44 HB2 LYS 44 -1.045 -9.167 6.974 325 HB3 LYS 44 HB3 LYS 44 -1.471 -10.729 6.294 326 HG2 LYS 44 HG2 LYS 44 0.721 -11.152 6.116 327 HG3 LYS 44 HG3 LYS 44 0.678 -10.170 4.696 328 HD2 LYS 44 HD2 LYS 44 2.288 -9.039 5.657 329 HD3 LYS 44 HD3 LYS 44 1.092 -8.192 6.550 330 HE2 LYS 44 HE2 LYS 44 2.815 -10.488 7.505 331 HE3 LYS 44 HE3 LYS 44 2.638 -8.862 8.187 332 HZ1 LYS 44 HZ1 LYS 44 0.585 -9.453 9.100 333 HZ2 LYS 44 HZ2 LYS 44 1.613 -10.684 9.435 334 HZ3 LYS 44 HZ3 LYS 44 0.517 -10.925 8.278 335 H GLU 45 HN GLU 45 -3.851 -7.961 5.608 336 HA GLU 45 HA GLU 45 -5.628 -10.228 5.094 337 HB2 GLU 45 HB2 GLU 45 -6.352 -7.371 5.719 338 HB3 GLU 45 HB3 GLU 45 -7.419 -8.770 5.755 339 HG2 GLU 45 HG2 GLU 45 -5.850 -9.717 7.550 340 HG3 GLU 45 HG3 GLU 45 -5.199 -8.080 7.684 341 H PHE 46 HN PHE 46 -4.095 -9.412 2.748 342 HA PHE 46 HA PHE 46 -6.404 -9.216 1.003 343 HB2 PHE 46 HB2 PHE 46 -3.879 -7.537 0.694 344 HB3 PHE 46 HB3 PHE 46 -4.899 -7.963 -0.675 345 HD1 PHE 46 HD1 PHE 46 -7.433 -7.429 -0.539 346 HD2 PHE 46 HD2 PHE 46 -4.427 -5.566 1.926 347 HE1 PHE 46 HE1 PHE 46 -8.962 -5.560 -0.102 348 HE2 PHE 46 HE2 PHE 46 -5.956 -3.646 2.325 349 HZ PHE 46 HZ PHE 46 -8.237 -3.651 1.289 350 H ASN 47 HN ASN 47 -6.032 -10.421 -0.944 351 HA ASN 47 HA ASN 47 -3.789 -12.331 -0.955 352 HB2 ASN 47 HB2 ASN 47 -4.818 -13.235 -2.952 353 HB3 ASN 47 HB3 ASN 47 -5.998 -13.134 -1.691 354 HD21 ASN 47 HD21 ASN 47 -5.715 -12.692 -4.987 355 HD22 ASN 47 HD22 ASN 47 -7.120 -11.672 -5.105 356 H GLU 48 HN GLU 48 -2.795 -12.508 -3.207 357 HA GLU 48 HA GLU 48 -1.166 -10.417 -3.684 358 HB2 GLU 48 HB2 GLU 48 -1.064 -12.926 -4.324 359 HB3 GLU 48 HB3 GLU 48 -1.984 -12.475 -5.776 360 HG2 GLU 48 HG2 GLU 48 -0.232 -10.791 -6.310 361 HG3 GLU 48 HG3 GLU 48 0.608 -11.292 -4.822 362 H ASP 49 HN ASP 49 -3.867 -11.363 -5.919 363 HA ASP 49 HA ASP 49 -3.628 -9.018 -7.535 364 HB2 ASP 49 HB2 ASP 49 -4.672 -11.190 -8.231 365 HB3 ASP 49 HB3 ASP 49 -6.008 -10.816 -7.127 366 H GLY 50 HN GLY 50 -5.268 -9.702 -4.526 367 HA2 GLY 50 HA1 GLY 50 -7.136 -7.557 -4.383 368 HA3 GLY 50 HA2 GLY 50 -6.346 -8.350 -3.022 369 H ALA 51 HN ALA 51 -3.963 -7.858 -2.838 370 HA ALA 51 HA ALA 51 -3.626 -5.162 -2.106 371 HB1 ALA 51 HB1 ALA 51 -2.388 -6.968 -1.048 372 HB2 ALA 51 HB2 ALA 51 -1.609 -7.378 -2.587 373 HB3 ALA 51 HB3 ALA 51 -1.234 -5.834 -1.780 374 H LEU 52 HN LEU 52 -2.553 -6.887 -5.075 375 HA LEU 52 HA LEU 52 -0.968 -4.742 -6.103 376 HB2 LEU 52 HB2 LEU 52 -2.425 -7.064 -7.404 377 HB3 LEU 52 HB3 LEU 52 -1.528 -5.886 -8.347 378 HG LEU 52 HG LEU 52 -0.229 -7.490 -6.119 379 HD11 LEU 52 HD11 LEU 52 -0.256 -8.021 -9.122 380 HD12 LEU 52 HD12 LEU 52 -1.096 -8.983 -7.892 381 HD13 LEU 52 HD13 LEU 52 0.666 -8.925 -7.902 382 HD21 LEU 52 HD21 LEU 52 1.852 -6.860 -7.311 383 HD22 LEU 52 HD22 LEU 52 1.008 -5.441 -6.694 384 HD23 LEU 52 HD23 LEU 52 0.910 -5.844 -8.421 385 H ALA 53 HN ALA 53 -4.501 -5.481 -6.524 386 HA ALA 53 HA ALA 53 -4.970 -3.269 -8.261 387 HB1 ALA 53 HB1 ALA 53 -7.284 -3.510 -7.662 388 HB2 ALA 53 HB2 ALA 53 -6.577 -5.124 -7.795 389 HB3 ALA 53 HB3 ALA 53 -6.875 -4.428 -6.193 390 H VAL 54 HN VAL 54 -5.118 -3.514 -4.660 391 HA VAL 54 HA VAL 54 -5.843 -0.846 -4.155 392 HB VAL 54 HB VAL 54 -3.897 -2.395 -2.410 393 HG11 VAL 54 HG11 VAL 54 -6.052 -0.414 -1.617 394 HG12 VAL 54 HG12 VAL 54 -4.842 -1.182 -0.565 395 HG13 VAL 54 HG13 VAL 54 -4.322 -0.015 -1.771 396 HG21 VAL 54 HG21 VAL 54 -6.808 -2.900 -2.858 397 HG22 VAL 54 HG22 VAL 54 -5.525 -4.014 -2.428 398 HG23 VAL 54 HG23 VAL 54 -6.223 -2.988 -1.190 399 H LEU 55 HN LEU 55 -2.635 -2.140 -4.922 400 HA LEU 55 HA LEU 55 -1.182 0.280 -4.181 401 HB2 LEU 55 HB2 LEU 55 -0.385 -2.121 -5.897 402 HB3 LEU 55 HB3 LEU 55 0.663 -0.753 -5.582 403 HG LEU 55 HG LEU 55 -0.320 -2.772 -3.544 404 HD11 LEU 55 HD11 LEU 55 2.104 -3.194 -3.317 405 HD12 LEU 55 HD12 LEU 55 2.438 -1.962 -4.543 406 HD13 LEU 55 HD13 LEU 55 1.565 -3.443 -4.982 407 HD21 LEU 55 HD21 LEU 55 -0.369 -0.680 -2.362 408 HD22 LEU 55 HD22 LEU 55 1.171 -0.167 -3.094 409 HD23 LEU 55 HD23 LEU 55 1.121 -1.515 -1.924 410 H GLN 56 HN GLN 56 -2.328 -1.154 -7.245 411 HA GLN 56 HA GLN 56 -1.395 0.917 -8.950 412 HB2 GLN 56 HB2 GLN 56 -2.205 -1.258 -9.744 413 HB3 GLN 56 HB3 GLN 56 -3.834 -0.893 -9.191 414 HG2 GLN 56 HG2 GLN 56 -3.977 0.994 -10.774 415 HG3 GLN 56 HG3 GLN 56 -2.320 0.688 -11.316 416 HE21 GLN 56 HE21 GLN 56 -5.619 -0.686 -11.198 417 HE22 GLN 56 HE22 GLN 56 -5.292 -2.075 -12.199 418 H GLN 57 HN GLN 57 -4.568 0.494 -7.255 419 HA GLN 57 HA GLN 57 -5.615 2.871 -8.478 420 HB2 GLN 57 HB2 GLN 57 -6.827 0.846 -7.412 421 HB3 GLN 57 HB3 GLN 57 -6.695 1.734 -5.887 422 HG2 GLN 57 HG2 GLN 57 -7.881 3.668 -6.979 423 HG3 GLN 57 HG3 GLN 57 -7.940 2.752 -8.482 424 HE21 GLN 57 HE21 GLN 57 -9.111 2.797 -5.099 425 HE22 GLN 57 HE22 GLN 57 -10.484 1.726 -5.367 426 H PHE 58 HN PHE 58 -3.895 2.301 -5.522 427 HA PHE 58 HA PHE 58 -4.209 4.904 -4.290 428 HB2 PHE 58 HB2 PHE 58 -3.577 2.991 -2.978 429 HB3 PHE 58 HB3 PHE 58 -2.206 2.644 -4.024 430 HD1 PHE 58 HD2 PHE 58 -3.478 5.376 -1.758 431 HD2 PHE 58 HD1 PHE 58 -0.084 3.228 -3.342 432 HE1 PHE 58 HE2 PHE 58 -1.925 6.634 -0.221 433 HE2 PHE 58 HE1 PHE 58 1.411 4.501 -1.814 434 HZ PHE 58 HZ PHE 58 0.491 6.238 -0.332 435 H LYS 59 HN LYS 59 -1.772 3.527 -6.562 436 HA LYS 59 HA LYS 59 -0.269 5.982 -6.758 437 HB2 LYS 59 HB2 LYS 59 0.523 3.611 -7.405 438 HB3 LYS 59 HB3 LYS 59 -0.460 3.802 -8.851 439 HG2 LYS 59 HG2 LYS 59 1.423 4.641 -9.754 440 HG3 LYS 59 HG3 LYS 59 0.959 6.144 -8.980 441 HD2 LYS 59 HD2 LYS 59 2.891 4.089 -7.832 442 HD3 LYS 59 HD3 LYS 59 3.352 5.568 -8.664 443 HE2 LYS 59 HE2 LYS 59 1.874 5.395 -6.020 444 HE3 LYS 59 HE3 LYS 59 3.564 5.857 -6.255 445 HZ1 LYS 59 HZ1 LYS 59 2.655 7.770 -7.621 446 HZ2 LYS 59 HZ2 LYS 59 2.334 7.819 -6.001 447 HZ3 LYS 59 HZ3 LYS 59 1.185 7.422 -7.024 448 H ASP 60 HN ASP 60 -2.945 4.559 -8.666 449 HA ASP 60 HA ASP 60 -3.255 6.874 -10.396 450 HB2 ASP 60 HB2 ASP 60 -4.837 4.314 -9.952 451 HB3 ASP 60 HB3 ASP 60 -5.431 5.606 -10.985 452 H SER 61 HN SER 61 -3.172 7.868 -7.923 453 HA SER 61 HA SER 61 -5.824 9.070 -7.629 454 HB2 SER 61 HB2 SER 61 -4.781 7.320 -5.648 455 HB3 SER 61 HB3 SER 61 -4.352 8.916 -5.073 456 HG SER 61 HG SER 61 -6.577 9.517 -5.269 457 H ASP 62 HN ASP 62 -5.171 11.065 -5.900 458 HA ASP 62 HA ASP 62 -2.769 12.372 -7.018 459 HB2 ASP 62 HB2 ASP 62 -4.606 13.494 -8.077 460 HB3 ASP 62 HB3 ASP 62 -5.446 13.666 -6.515 461 H LEU 63 HN LEU 63 -1.369 12.437 -5.506 462 HA LEU 63 HA LEU 63 -2.134 12.629 -2.646 463 HB2 LEU 63 HB2 LEU 63 0.489 11.905 -3.999 464 HB3 LEU 63 HB3 LEU 63 0.221 11.964 -2.256 465 HG LEU 63 HG LEU 63 -1.382 10.131 -4.089 466 HD11 LEU 63 HD11 LEU 63 0.068 8.325 -3.169 467 HD12 LEU 63 HD12 LEU 63 1.169 9.581 -2.551 468 HD13 LEU 63 HD13 LEU 63 0.874 9.419 -4.304 469 HD21 LEU 63 HD21 LEU 63 -2.396 10.620 -1.846 470 HD22 LEU 63 HD22 LEU 63 -0.925 9.973 -1.082 471 HD23 LEU 63 HD23 LEU 63 -1.962 8.928 -2.084 472 H SER 64 HN SER 64 -2.357 14.908 -4.540 473 HA SER 64 HA SER 64 -0.441 16.819 -3.499 474 HB2 SER 64 HB2 SER 64 -1.909 16.897 -5.694 475 HB3 SER 64 HB3 SER 64 -3.130 17.604 -4.620 476 HG SER 64 HG SER 64 -0.467 18.481 -5.057 477 H HIS 65 HN HIS 65 -3.996 16.461 -3.022 478 HA HIS 65 HA HIS 65 -3.899 17.937 -0.536 479 HB2 HIS 65 HB2 HIS 65 -6.152 16.541 -2.033 480 HB3 HIS 65 HB3 HIS 65 -6.381 17.540 -0.603 481 HD1 HIS 65 HD1 HIS 65 -6.737 17.963 -4.119 482 HD2 HIS 65 HD2 HIS 65 -4.985 20.156 -0.960 483 HE1 HIS 65 HE1 HIS 65 -6.730 20.441 -4.845 484 H VAL 66 HN VAL 66 -2.362 15.658 -0.173 485 HA VAL 66 HA VAL 66 -3.958 14.155 1.840 486 HB VAL 66 HB VAL 66 -3.175 12.661 0.075 487 HG11 VAL 66 HG11 VAL 66 -0.381 13.477 0.885 488 HG12 VAL 66 HG12 VAL 66 -0.828 12.137 -0.209 489 HG13 VAL 66 HG13 VAL 66 -1.212 13.809 -0.634 490 HG21 VAL 66 HG21 VAL 66 -2.246 10.938 1.444 491 HG22 VAL 66 HG22 VAL 66 -1.661 12.089 2.651 492 HG23 VAL 66 HG23 VAL 66 -3.401 11.856 2.442 493 H GLN 67 HN GLN 67 -2.647 13.654 3.823 494 HA GLN 67 HA GLN 67 -0.205 15.242 4.258 495 HB2 GLN 67 HB2 GLN 67 -1.109 15.929 6.531 496 HB3 GLN 67 HB3 GLN 67 -1.617 16.846 5.121 497 HG2 GLN 67 HG2 GLN 67 -3.749 16.617 5.656 498 HG3 GLN 67 HG3 GLN 67 -3.652 14.868 5.607 499 HE21 GLN 67 HE21 GLN 67 -2.935 17.692 7.709 500 HE22 GLN 67 HE22 GLN 67 -3.151 16.774 9.214 501 H ASN 68 HN ASN 68 -2.491 13.496 6.266 502 HA ASN 68 HA ASN 68 -0.845 11.443 7.365 503 HB2 ASN 68 HB2 ASN 68 -3.112 10.444 7.811 504 HB3 ASN 68 HB3 ASN 68 -2.852 12.061 8.469 505 HD21 ASN 68 HD21 ASN 68 -5.336 11.841 8.525 506 HD22 ASN 68 HD22 ASN 68 -6.115 12.523 7.085 507 H LYS 69 HN LYS 69 0.303 10.994 5.264 508 HA LYS 69 HA LYS 69 -0.806 9.691 3.059 509 HB2 LYS 69 HB2 LYS 69 1.772 8.879 4.459 510 HB3 LYS 69 HB3 LYS 69 1.321 8.528 2.788 511 HG2 LYS 69 HG2 LYS 69 2.107 11.223 3.944 512 HG3 LYS 69 HG3 LYS 69 2.961 10.238 2.756 513 HD2 LYS 69 HD2 LYS 69 0.710 10.529 1.368 514 HD3 LYS 69 HD3 LYS 69 0.500 11.922 2.421 515 HE2 LYS 69 HE2 LYS 69 2.952 11.402 0.650 516 HE3 LYS 69 HE3 LYS 69 1.567 12.352 0.145 517 HZ1 LYS 69 HZ1 LYS 69 3.385 13.049 2.376 518 HZ2 LYS 69 HZ2 LYS 69 2.051 13.906 1.923 519 HZ3 LYS 69 HZ3 LYS 69 3.283 13.762 0.902 520 H SER 70 HN SER 70 -0.494 8.381 6.321 521 HA SER 70 HA SER 70 -0.854 5.616 5.586 522 HB2 SER 70 HB2 SER 70 -1.444 5.303 7.970 523 HB3 SER 70 HB3 SER 70 0.122 6.049 7.718 524 HG SER 70 HG SER 70 -1.058 6.885 9.384 525 H ALA 71 HN ALA 71 -3.075 8.075 7.022 526 HA ALA 71 HA ALA 71 -5.353 6.492 6.967 527 HB1 ALA 71 HB1 ALA 71 -6.619 8.562 7.187 528 HB2 ALA 71 HB2 ALA 71 -5.139 8.669 8.170 529 HB3 ALA 71 HB3 ALA 71 -5.239 9.497 6.591 530 H PHE 72 HN PHE 72 -3.940 8.431 4.384 531 HA PHE 72 HA PHE 72 -6.134 8.308 2.547 532 HB2 PHE 72 HB2 PHE 72 -4.075 9.717 2.447 533 HB3 PHE 72 HB3 PHE 72 -3.161 8.322 1.911 534 HD1 PHE 72 HD2 PHE 72 -4.204 7.075 -0.271 535 HD2 PHE 72 HD1 PHE 72 -4.949 11.179 0.843 536 HE1 PHE 72 HE2 PHE 72 -4.663 7.642 -2.630 537 HE2 PHE 72 HE1 PHE 72 -5.267 11.760 -1.523 538 HZ PHE 72 HZ PHE 72 -5.205 9.972 -3.262 539 H LEU 73 HN LEU 73 -3.319 6.152 2.983 540 HA LEU 73 HA LEU 73 -4.050 4.301 0.887 541 HB2 LEU 73 HB2 LEU 73 -1.752 4.543 1.859 542 HB3 LEU 73 HB3 LEU 73 -2.336 3.907 3.384 543 HG LEU 73 HG LEU 73 -2.966 1.763 2.230 544 HD11 LEU 73 HD11 LEU 73 -3.197 2.467 -0.085 545 HD12 LEU 73 HD12 LEU 73 -1.914 1.258 0.025 546 HD13 LEU 73 HD13 LEU 73 -1.508 2.990 -0.128 547 HD21 LEU 73 HD21 LEU 73 -0.674 0.917 2.116 548 HD22 LEU 73 HD22 LEU 73 -0.868 2.012 3.484 549 HD23 LEU 73 HD23 LEU 73 -0.052 2.584 2.010 550 H CYS 74 HN CYS 74 -4.479 4.445 4.324 551 HA CYS 74 HA CYS 74 -5.838 2.031 4.882 552 HB2 CYS 74 HB2 CYS 74 -4.954 4.093 6.381 553 HB3 CYS 74 HB3 CYS 74 -6.657 4.555 6.320 554 HG CYS 74 HG CYS 74 -6.051 3.384 8.559 555 H GLY 75 HN GLY 75 -7.120 5.157 3.644 556 HA2 GLY 75 HA1 GLY 75 -9.884 4.537 3.614 557 HA3 GLY 75 HA2 GLY 75 -9.044 5.697 2.573 558 H VAL 76 HN VAL 76 -7.464 4.378 0.913 559 HA VAL 76 HA VAL 76 -9.147 3.133 -0.935 560 HB VAL 76 HB VAL 76 -6.137 2.725 -0.778 561 HG11 VAL 76 HG11 VAL 76 -6.291 2.534 -3.243 562 HG12 VAL 76 HG12 VAL 76 -7.274 1.299 -2.466 563 HG13 VAL 76 HG13 VAL 76 -8.052 2.731 -3.155 564 HG21 VAL 76 HG21 VAL 76 -7.736 5.001 -2.037 565 HG22 VAL 76 HG22 VAL 76 -6.579 5.158 -0.710 566 HG23 VAL 76 HG23 VAL 76 -6.011 4.725 -2.316 567 H MET 77 HN MET 77 -6.932 1.559 1.431 568 HA MET 77 HA MET 77 -7.453 -1.132 0.829 569 HB2 MET 77 HB2 MET 77 -6.870 0.244 3.489 570 HB3 MET 77 HB3 MET 77 -7.069 -1.492 3.327 571 HG2 MET 77 HG2 MET 77 -5.227 -1.445 1.570 572 HG3 MET 77 HG3 MET 77 -4.867 0.183 2.167 573 HE1 MET 77 HE1 MET 77 -2.433 -0.672 2.675 574 HE2 MET 77 HE2 MET 77 -3.009 0.424 3.966 575 HE3 MET 77 HE3 MET 77 -2.110 -1.046 4.382 576 H LYS 78 HN LYS 78 -9.375 1.036 2.990 577 HA LYS 78 HA LYS 78 -11.169 -1.022 3.855 578 HB2 LYS 78 HB2 LYS 78 -11.082 1.926 4.045 579 HB3 LYS 78 HB3 LYS 78 -12.720 1.308 3.782 580 HG2 LYS 78 HG2 LYS 78 -12.434 -0.297 5.666 581 HG3 LYS 78 HG3 LYS 78 -10.846 0.427 5.993 582 HD2 LYS 78 HD2 LYS 78 -12.017 2.664 6.222 583 HD3 LYS 78 HD3 LYS 78 -13.568 1.815 6.075 584 HE2 LYS 78 HE2 LYS 78 -13.192 0.573 8.097 585 HE3 LYS 78 HE3 LYS 78 -11.488 1.050 8.164 586 HZ1 LYS 78 HZ1 LYS 78 -13.702 2.986 8.362 587 HZ2 LYS 78 HZ2 LYS 78 -12.113 3.258 8.668 588 HZ3 LYS 78 HZ3 LYS 78 -12.993 2.304 9.682 589 H THR 79 HN THR 79 -11.470 1.351 1.159 590 HA THR 79 HA THR 79 -13.869 0.546 0.141 591 HB THR 79 HB THR 79 -11.615 1.074 -1.816 592 HG1 THR 79 HG1 THR 79 -11.047 2.545 -0.349 593 HG21 THR 79 HG21 THR 79 -14.460 2.124 -1.452 594 HG22 THR 79 HG22 THR 79 -13.890 0.971 -2.691 595 HG23 THR 79 HG23 THR 79 -13.344 2.647 -2.708 596 H TYR 80 HN TYR 80 -10.713 -1.000 -0.522 597 HA TYR 80 HA TYR 80 -11.761 -2.819 -2.424 598 HB2 TYR 80 HB2 TYR 80 -9.178 -2.461 -0.957 599 HB3 TYR 80 HB3 TYR 80 -9.498 -4.018 -1.707 600 HD1 TYR 80 HD1 TYR 80 -10.096 -4.201 -4.114 601 HD2 TYR 80 HD2 TYR 80 -8.647 -0.547 -2.375 602 HE1 TYR 80 HE1 TYR 80 -9.489 -3.403 -6.366 603 HE2 TYR 80 HE2 TYR 80 -8.015 0.275 -4.640 604 HH TYR 80 HH TYR 80 -8.636 -1.634 -7.622 605 H ARG 81 HN ARG 81 -11.306 -3.256 1.158 606 HA ARG 81 HA ARG 81 -12.193 -6.039 0.991 607 HB2 ARG 81 HB2 ARG 81 -12.174 -6.051 3.354 608 HB3 ARG 81 HB3 ARG 81 -10.634 -5.433 2.751 609 HG2 ARG 81 HG2 ARG 81 -11.316 -3.170 3.178 610 HG3 ARG 81 HG3 ARG 81 -12.958 -3.704 3.534 611 HD2 ARG 81 HD2 ARG 81 -10.504 -4.373 5.195 612 HD3 ARG 81 HD3 ARG 81 -11.570 -2.989 5.513 613 HE ARG 81 HE ARG 81 -13.098 -5.411 5.460 614 HH11 ARG 81 HH11 ARG 81 -10.621 -3.786 7.435 615 HH12 ARG 81 HH12 ARG 81 -10.818 -4.944 8.708 616 HH21 ARG 81 HH21 ARG 81 -13.509 -6.609 7.276 617 HH22 ARG 81 HH22 ARG 81 -12.745 -6.299 8.795 618 H GLN 82 HN GLN 82 -13.755 -2.928 1.090 619 HA GLN 82 HA GLN 82 -16.329 -4.162 1.831 620 HB2 GLN 82 HB2 GLN 82 -15.268 -1.329 1.732 621 HB3 GLN 82 HB3 GLN 82 -16.975 -1.717 1.895 622 HG2 GLN 82 HG2 GLN 82 -16.698 -2.820 3.967 623 HG3 GLN 82 HG3 GLN 82 -14.968 -3.005 3.769 624 HE21 GLN 82 HE21 GLN 82 -16.174 -2.029 6.131 625 HE22 GLN 82 HE22 GLN 82 -15.739 -0.338 6.313 626 H ARG 83 HN ARG 83 -16.178 -5.344 -0.227 627 HA ARG 83 HA ARG 83 -17.343 -3.753 -2.477 628 HB2 ARG 83 HB2 ARG 83 -15.199 -5.896 -2.725 629 HB3 ARG 83 HB3 ARG 83 -16.154 -5.252 -4.058 630 HG2 ARG 83 HG2 ARG 83 -15.268 -2.943 -3.530 631 HG3 ARG 83 HG3 ARG 83 -14.247 -3.692 -2.293 632 HD2 ARG 83 HD2 ARG 83 -12.880 -3.408 -4.236 633 HD3 ARG 83 HD3 ARG 83 -13.204 -5.123 -4.072 634 HE ARG 83 HE ARG 83 -14.765 -5.023 -5.888 635 HH11 ARG 83 HH11 ARG 83 -13.037 -1.885 -5.523 636 HH12 ARG 83 HH12 ARG 83 -13.464 -1.427 -7.161 637 HH21 ARG 83 HH21 ARG 83 -15.165 -4.362 -7.954 638 HH22 ARG 83 HH22 ARG 83 -14.420 -2.919 -8.605 639 H GLU 84 HN GLU 84 -19.262 -4.495 -1.214 640 HA GLU 84 HA GLU 84 -20.057 -7.209 -2.136 641 HB2 GLU 84 HB2 GLU 84 -20.631 -5.906 0.545 642 HB3 GLU 84 HB3 GLU 84 -21.522 -7.285 -0.078 643 HG2 GLU 84 HG2 GLU 84 -18.529 -7.613 -0.036 644 HG3 GLU 84 HG3 GLU 84 -19.325 -7.466 1.527 645 H LYS 85 HN LYS 85 -21.872 -7.065 -3.446 646 HA LYS 85 HA LYS 85 -23.600 -4.711 -3.272 647 HB2 LYS 85 HB2 LYS 85 -21.625 -3.878 -4.538 648 HB3 LYS 85 HB3 LYS 85 -21.818 -5.176 -5.702 649 HG2 LYS 85 HG2 LYS 85 -22.761 -3.031 -6.449 650 HG3 LYS 85 HG3 LYS 85 -23.933 -4.362 -6.413 651 HD2 LYS 85 HD2 LYS 85 -24.986 -3.496 -4.417 652 HD3 LYS 85 HD3 LYS 85 -23.758 -2.235 -4.258 653 HE2 LYS 85 HE2 LYS 85 -25.896 -1.450 -5.168 654 HE3 LYS 85 HE3 LYS 85 -24.522 -1.161 -6.255 655 HZ1 LYS 85 HZ1 LYS 85 -25.212 -3.002 -7.594 656 HZ2 LYS 85 HZ2 LYS 85 -26.471 -1.971 -7.423 657 HZ3 LYS 85 HZ3 LYS 85 -26.447 -3.391 -6.585 Start of MODEL 2 1 H1 GLY 1 HN GLY 1 13.847 -2.942 -8.998 2 HA2 GLY 1 HA1 GLY 1 13.458 -0.814 -8.020 3 HA3 GLY 1 HA2 GLY 1 13.058 -2.024 -6.782 4 H SER 2 HN SER 2 13.681 -1.042 -4.898 5 HA SER 2 HA SER 2 16.501 -0.115 -4.693 6 HB2 SER 2 HB2 SER 2 14.491 1.589 -4.807 7 HB3 SER 2 HB3 SER 2 14.213 1.093 -3.147 8 HG SER 2 HG SER 2 15.600 2.881 -3.194 9 H GLU 3 HN GLU 3 16.717 0.360 -2.176 10 HA GLU 3 HA GLU 3 17.011 -2.150 -0.867 11 HB2 GLU 3 HB2 GLU 3 17.762 -0.709 1.024 12 HB3 GLU 3 HB3 GLU 3 18.550 -0.389 -0.506 13 HG2 GLU 3 HG2 GLU 3 17.039 1.615 -0.835 14 HG3 GLU 3 HG3 GLU 3 16.327 1.286 0.751 15 H ASN 4 HN ASN 4 14.221 -0.042 -0.967 16 HA ASN 4 HA ASN 4 13.244 -0.679 1.676 17 HB2 ASN 4 HB2 ASN 4 11.271 -0.121 -0.534 18 HB3 ASN 4 HB3 ASN 4 11.246 0.347 1.149 19 HD21 ASN 4 HD21 ASN 4 12.390 1.160 -2.102 20 HD22 ASN 4 HD22 ASN 4 12.904 2.787 -1.639 21 H PHE 5 HN PHE 5 12.974 -2.101 -1.512 22 HA PHE 5 HA PHE 5 10.939 -3.917 -1.347 23 HB2 PHE 5 HB2 PHE 5 12.318 -3.482 -3.341 24 HB3 PHE 5 HB3 PHE 5 13.678 -4.307 -2.606 25 HD1 PHE 5 HD1 PHE 5 10.042 -5.025 -3.318 26 HD2 PHE 5 HD2 PHE 5 14.093 -6.475 -3.310 27 HE1 PHE 5 HE1 PHE 5 9.278 -7.200 -4.262 28 HE2 PHE 5 HE2 PHE 5 13.327 -8.623 -4.312 29 HZ PHE 5 HZ PHE 5 10.915 -8.974 -4.785 30 H GLN 6 HN GLN 6 14.275 -4.625 -0.310 31 HA GLN 6 HA GLN 6 13.795 -7.318 0.422 32 HB2 GLN 6 HB2 GLN 6 16.058 -6.428 0.099 33 HB3 GLN 6 HB3 GLN 6 15.854 -5.324 1.464 34 HG2 GLN 6 HG2 GLN 6 17.203 -7.178 2.159 35 HG3 GLN 6 HG3 GLN 6 15.679 -7.282 3.017 36 HE21 GLN 6 HE21 GLN 6 14.139 -8.979 2.385 37 HE22 GLN 6 HE22 GLN 6 14.731 -10.400 1.542 38 H THR 7 HN THR 7 13.688 -4.351 2.507 39 HA THR 7 HA THR 7 13.186 -5.834 4.887 40 HB THR 7 HB THR 7 12.531 -2.916 4.278 41 HG1 THR 7 HG1 THR 7 14.677 -2.545 4.875 42 HG21 THR 7 HG21 THR 7 13.454 -4.287 6.849 43 HG22 THR 7 HG22 THR 7 11.788 -3.768 6.505 44 HG23 THR 7 HG23 THR 7 13.078 -2.565 6.653 45 H LEU 8 HN LEU 8 11.057 -4.397 2.416 46 HA LEU 8 HA LEU 8 8.631 -4.778 3.946 47 HB2 LEU 8 HB2 LEU 8 9.412 -4.006 1.147 48 HB3 LEU 8 HB3 LEU 8 7.769 -4.498 1.456 49 HG LEU 8 HG LEU 8 7.325 -2.688 2.911 50 HD11 LEU 8 HD11 LEU 8 10.279 -1.943 3.042 51 HD12 LEU 8 HD12 LEU 8 9.347 -2.671 4.355 52 HD13 LEU 8 HD13 LEU 8 8.935 -1.061 3.780 53 HD21 LEU 8 HD21 LEU 8 9.206 -1.629 0.753 54 HD22 LEU 8 HD22 LEU 8 7.988 -0.682 1.623 55 HD23 LEU 8 HD23 LEU 8 7.481 -2.014 0.565 56 H LEU 9 HN LEU 9 10.295 -6.736 1.456 57 HA LEU 9 HA LEU 9 8.436 -8.898 1.242 58 HB2 LEU 9 HB2 LEU 9 11.458 -8.665 1.237 59 HB3 LEU 9 HB3 LEU 9 10.724 -10.241 1.156 60 HG LEU 9 HG LEU 9 10.032 -8.087 -0.875 61 HD11 LEU 9 HD11 LEU 9 12.351 -8.231 -1.119 62 HD12 LEU 9 HD12 LEU 9 11.796 -9.487 -2.237 63 HD13 LEU 9 HD13 LEU 9 12.422 -9.938 -0.651 64 HD21 LEU 9 HD21 LEU 9 9.511 -10.059 -2.290 65 HD22 LEU 9 HD22 LEU 9 8.517 -10.047 -0.816 66 HD23 LEU 9 HD23 LEU 9 9.915 -11.142 -0.953 67 H ASP 10 HN ASP 10 10.717 -7.937 3.741 68 HA ASP 10 HA ASP 10 10.486 -10.458 5.232 69 HB2 ASP 10 HB2 ASP 10 12.552 -8.915 4.991 70 HB3 ASP 10 HB3 ASP 10 11.817 -7.941 6.251 71 H ALA 11 HN ALA 11 8.936 -7.376 5.234 72 HA ALA 11 HA ALA 11 7.776 -7.388 7.862 73 HB1 ALA 11 HB1 ALA 11 6.456 -5.534 7.038 74 HB2 ALA 11 HB2 ALA 11 8.127 -5.354 6.473 75 HB3 ALA 11 HB3 ALA 11 6.858 -5.921 5.358 76 H GLY 12 HN GLY 12 7.297 -9.572 5.464 77 HA2 GLY 12 HA1 GLY 12 5.783 -11.350 5.752 78 HA3 GLY 12 HA2 GLY 12 4.611 -10.292 6.470 79 H LEU 13 HN LEU 13 5.858 -8.748 3.702 80 HA LEU 13 HA LEU 13 3.222 -9.080 2.509 81 HB2 LEU 13 HB2 LEU 13 5.617 -7.407 1.638 82 HB3 LEU 13 HB3 LEU 13 3.982 -7.254 1.014 83 HG LEU 13 HG LEU 13 4.762 -6.766 3.942 84 HD11 LEU 13 HD11 LEU 13 4.105 -4.784 1.737 85 HD12 LEU 13 HD12 LEU 13 5.729 -5.086 2.395 86 HD13 LEU 13 HD13 LEU 13 4.476 -4.391 3.428 87 HD21 LEU 13 HD21 LEU 13 2.416 -7.448 3.747 88 HD22 LEU 13 HD22 LEU 13 2.164 -6.273 2.436 89 HD23 LEU 13 HD23 LEU 13 2.526 -5.728 4.096 90 HA PRO 14 HA PRO 14 4.558 -11.988 -0.611 91 HB2 PRO 14 HB2 PRO 14 2.731 -11.333 -2.645 92 HB3 PRO 14 HB3 PRO 14 2.424 -12.446 -1.289 93 HG2 PRO 14 HG2 PRO 14 1.645 -9.590 -1.610 94 HG3 PRO 14 HG3 PRO 14 0.721 -10.903 -0.837 95 HD2 PRO 14 HD2 PRO 14 2.084 -8.989 0.571 96 HD3 PRO 14 HD3 PRO 14 1.889 -10.667 1.174 97 H GLN 15 HN GLN 15 5.487 -11.948 -2.832 98 HA GLN 15 HA GLN 15 7.426 -9.815 -3.113 99 HB2 GLN 15 HB2 GLN 15 7.976 -12.136 -3.714 100 HB3 GLN 15 HB3 GLN 15 6.581 -12.222 -4.791 101 HG2 GLN 15 HG2 GLN 15 7.685 -10.372 -6.181 102 HG3 GLN 15 HG3 GLN 15 9.107 -10.576 -5.179 103 HE21 GLN 15 HE21 GLN 15 10.469 -11.400 -6.845 104 HE22 GLN 15 HE22 GLN 15 10.110 -12.903 -7.681 105 H LYS 16 HN LYS 16 4.469 -10.915 -4.826 106 HA LYS 16 HA LYS 16 4.790 -9.142 -6.917 107 HB2 LYS 16 HB2 LYS 16 2.290 -10.489 -5.809 108 HB3 LYS 16 HB3 LYS 16 2.197 -9.362 -7.155 109 HG2 LYS 16 HG2 LYS 16 2.298 -11.410 -8.190 110 HG3 LYS 16 HG3 LYS 16 3.901 -10.709 -8.404 111 HD2 LYS 16 HD2 LYS 16 4.598 -12.201 -6.375 112 HD3 LYS 16 HD3 LYS 16 3.013 -12.967 -6.560 113 HE2 LYS 16 HE2 LYS 16 4.430 -14.349 -7.824 114 HE3 LYS 16 HE3 LYS 16 3.722 -13.283 -9.055 115 HZ1 LYS 16 HZ1 LYS 16 6.402 -13.069 -7.798 116 HZ2 LYS 16 HZ2 LYS 16 5.806 -11.871 -8.715 117 HZ3 LYS 16 HZ3 LYS 16 6.113 -13.353 -9.357 118 H VAL 17 HN VAL 17 3.220 -8.578 -3.825 119 HA VAL 17 HA VAL 17 2.272 -5.904 -4.313 120 HB VAL 17 HB VAL 17 2.854 -7.601 -1.854 121 HG11 VAL 17 HG11 VAL 17 3.144 -5.176 -1.183 122 HG12 VAL 17 HG12 VAL 17 1.438 -4.922 -1.651 123 HG13 VAL 17 HG13 VAL 17 1.851 -6.053 -0.365 124 HG21 VAL 17 HG21 VAL 17 0.241 -6.534 -3.019 125 HG22 VAL 17 HG22 VAL 17 0.857 -8.182 -3.257 126 HG23 VAL 17 HG23 VAL 17 0.413 -7.635 -1.637 127 H ALA 18 HN ALA 18 5.127 -7.250 -2.525 128 HA ALA 18 HA ALA 18 6.345 -4.915 -1.842 129 HB1 ALA 18 HB1 ALA 18 7.026 -7.109 -1.038 130 HB2 ALA 18 HB2 ALA 18 7.676 -7.533 -2.633 131 HB3 ALA 18 HB3 ALA 18 8.422 -6.240 -1.679 132 H GLU 19 HN GLU 19 6.864 -6.602 -5.014 133 HA GLU 19 HA GLU 19 8.893 -4.875 -5.927 134 HB2 GLU 19 HB2 GLU 19 6.776 -6.394 -7.531 135 HB3 GLU 19 HB3 GLU 19 8.125 -5.494 -8.250 136 HG2 GLU 19 HG2 GLU 19 9.608 -6.957 -6.593 137 HG3 GLU 19 HG3 GLU 19 8.226 -8.037 -6.655 138 H LYS 20 HN LYS 20 5.349 -4.372 -6.090 139 HA LYS 20 HA LYS 20 5.610 -1.884 -7.655 140 HB2 LYS 20 HB2 LYS 20 3.314 -3.306 -6.254 141 HB3 LYS 20 HB3 LYS 20 3.161 -1.617 -6.702 142 HG2 LYS 20 HG2 LYS 20 2.120 -2.916 -8.356 143 HG3 LYS 20 HG3 LYS 20 3.534 -2.147 -9.082 144 HD2 LYS 20 HD2 LYS 20 3.711 -4.954 -7.964 145 HD3 LYS 20 HD3 LYS 20 2.893 -4.705 -9.498 146 HE2 LYS 20 HE2 LYS 20 5.761 -3.774 -9.001 147 HE3 LYS 20 HE3 LYS 20 5.338 -5.382 -9.605 148 HZ1 LYS 20 HZ1 LYS 20 4.113 -4.208 -11.406 149 HZ2 LYS 20 HZ2 LYS 20 5.740 -4.158 -11.457 150 HZ3 LYS 20 HZ3 LYS 20 4.963 -2.810 -10.953 151 H LEU 21 HN LEU 21 5.304 -2.827 -4.244 152 HA LEU 21 HA LEU 21 4.502 -0.243 -3.263 153 HB2 LEU 21 HB2 LEU 21 4.098 -2.523 -2.236 154 HB3 LEU 21 HB3 LEU 21 5.829 -2.598 -1.852 155 HG LEU 21 HG LEU 21 5.739 -0.997 -0.266 156 HD11 LEU 21 HD11 LEU 21 4.344 0.770 -1.175 157 HD12 LEU 21 HD12 LEU 21 3.698 0.288 0.389 158 HD13 LEU 21 HD13 LEU 21 2.906 -0.279 -1.091 159 HD21 LEU 21 HD21 LEU 21 4.171 -1.939 1.346 160 HD22 LEU 21 HD22 LEU 21 4.881 -3.199 0.333 161 HD23 LEU 21 HD23 LEU 21 3.211 -2.652 0.030 162 H ASP 22 HN ASP 22 7.636 -1.881 -3.538 163 HA ASP 22 HA ASP 22 9.296 -0.115 -2.083 164 HB2 ASP 22 HB2 ASP 22 10.150 -2.183 -2.755 165 HB3 ASP 22 HB3 ASP 22 9.615 -1.988 -4.409 166 H GLU 23 HN GLU 23 8.317 0.006 -5.516 167 HA GLU 23 HA GLU 23 9.722 2.291 -6.352 168 HB2 GLU 23 HB2 GLU 23 7.404 0.643 -7.220 169 HB3 GLU 23 HB3 GLU 23 7.341 2.277 -7.805 170 HG2 GLU 23 HG2 GLU 23 9.979 0.839 -8.057 171 HG3 GLU 23 HG3 GLU 23 8.643 0.283 -9.072 172 H ILE 24 HN ILE 24 6.902 2.128 -4.292 173 HA ILE 24 HA ILE 24 6.004 4.826 -4.945 174 HB ILE 24 HB ILE 24 5.165 3.218 -2.532 175 HG12 ILE 24 HG12 ILE 24 4.185 2.931 -5.418 176 HG13 ILE 24 HG13 ILE 24 4.907 1.695 -4.399 177 HG21 ILE 24 HG21 ILE 24 3.504 5.132 -4.210 178 HG22 ILE 24 HG22 ILE 24 3.133 4.440 -2.606 179 HG23 ILE 24 HG23 ILE 24 4.425 5.607 -2.780 180 HD11 ILE 24 HD11 ILE 24 2.124 2.818 -4.202 181 HD12 ILE 24 HD12 ILE 24 2.636 1.152 -4.505 182 HD13 ILE 24 HD13 ILE 24 2.871 1.856 -2.892 183 H TYR 25 HN TYR 25 8.299 3.333 -2.753 184 HA TYR 25 HA TYR 25 8.692 5.757 -1.140 185 HB2 TYR 25 HB2 TYR 25 10.109 3.088 -1.063 186 HB3 TYR 25 HB3 TYR 25 10.281 4.402 0.096 187 HD1 TYR 25 HD2 TYR 25 7.906 5.350 0.980 188 HD2 TYR 25 HD1 TYR 25 8.589 1.371 -0.480 189 HE1 TYR 25 HE2 TYR 25 5.777 4.639 2.013 190 HE2 TYR 25 HE1 TYR 25 6.509 0.616 0.593 191 HH TYR 25 HH TYR 25 4.839 1.290 2.325 192 H VAL 26 HN VAL 26 9.822 4.537 -4.127 193 HA VAL 26 HA VAL 26 12.531 5.587 -3.949 194 HB VAL 26 HB VAL 26 10.823 4.242 -6.073 195 HG11 VAL 26 HG11 VAL 26 12.318 5.648 -7.373 196 HG12 VAL 26 HG12 VAL 26 13.716 5.110 -6.409 197 HG13 VAL 26 HG13 VAL 26 12.851 3.969 -7.458 198 HG21 VAL 26 HG21 VAL 26 12.391 2.388 -5.718 199 HG22 VAL 26 HG22 VAL 26 13.356 3.411 -4.618 200 HG23 VAL 26 HG23 VAL 26 11.738 2.882 -4.155 201 H ALA 27 HN ALA 27 9.430 6.785 -5.213 202 HA ALA 27 HA ALA 27 10.798 8.771 -6.880 203 HB1 ALA 27 HB1 ALA 27 7.852 8.152 -6.518 204 HB2 ALA 27 HB2 ALA 27 8.562 9.179 -7.782 205 HB3 ALA 27 HB3 ALA 27 8.923 7.438 -7.744 206 H GLY 28 HN GLY 28 10.545 8.926 -3.722 207 HA2 GLY 28 HA1 GLY 28 10.425 10.616 -2.187 208 HA3 GLY 28 HA2 GLY 28 10.585 11.746 -3.535 209 H LEU 29 HN LEU 29 8.000 9.435 -3.103 210 HA LEU 29 HA LEU 29 5.870 11.506 -3.142 211 HB2 LEU 29 HB2 LEU 29 5.767 8.421 -3.275 212 HB3 LEU 29 HB3 LEU 29 4.371 9.496 -3.204 213 HG LEU 29 HG LEU 29 6.422 9.938 -5.383 214 HD11 LEU 29 HD11 LEU 29 5.917 7.559 -5.415 215 HD12 LEU 29 HD12 LEU 29 5.197 8.392 -6.813 216 HD13 LEU 29 HD13 LEU 29 4.179 7.913 -5.419 217 HD21 LEU 29 HD21 LEU 29 3.432 10.455 -5.104 218 HD22 LEU 29 HD22 LEU 29 4.343 10.657 -6.610 219 HD23 LEU 29 HD23 LEU 29 4.736 11.655 -5.201 220 H VAL 30 HN VAL 30 6.509 8.443 -1.400 221 HA VAL 30 HA VAL 30 5.803 9.822 1.173 222 HB VAL 30 HB VAL 30 4.711 7.660 1.812 223 HG11 VAL 30 HG11 VAL 30 3.487 8.944 -0.674 224 HG12 VAL 30 HG12 VAL 30 2.638 8.099 0.630 225 HG13 VAL 30 HG13 VAL 30 3.446 9.648 0.943 226 HG21 VAL 30 HG21 VAL 30 4.825 7.002 -1.162 227 HG22 VAL 30 HG22 VAL 30 5.835 6.211 0.053 228 HG23 VAL 30 HG23 VAL 30 4.069 6.038 0.114 229 H ALA 31 HN ALA 31 6.709 8.883 3.093 230 HA ALA 31 HA ALA 31 9.397 7.754 2.697 231 HB1 ALA 31 HB1 ALA 31 7.927 8.399 5.297 232 HB2 ALA 31 HB2 ALA 31 9.662 8.176 5.047 233 HB3 ALA 31 HB3 ALA 31 8.832 9.598 4.373 234 H HIS 32 HN HIS 32 10.040 5.755 3.696 235 HA HIS 32 HA HIS 32 8.157 3.629 3.595 236 HB2 HIS 32 HB2 HIS 32 9.908 2.226 4.417 237 HB3 HIS 32 HB3 HIS 32 10.585 3.323 3.235 238 HD1 HIS 32 HD1 HIS 32 10.540 2.677 7.067 239 HD2 HIS 32 HD2 HIS 32 12.582 4.920 4.121 240 HE1 HIS 32 HE1 HIS 32 12.546 3.689 8.199 241 H SER 33 HN SER 33 8.733 5.908 6.144 242 HA SER 33 HA SER 33 7.150 4.282 8.060 243 HB2 SER 33 HB2 SER 33 8.340 5.663 9.785 244 HB3 SER 33 HB3 SER 33 9.370 4.580 8.848 245 HG SER 33 HG SER 33 9.027 7.372 8.312 246 H ASP 34 HN ASP 34 6.160 6.241 5.844 247 HA ASP 34 HA ASP 34 4.987 8.373 7.496 248 HB2 ASP 34 HB2 ASP 34 5.725 8.255 4.854 249 HB3 ASP 34 HB3 ASP 34 4.010 7.984 4.710 250 H LEU 35 HN LEU 35 4.292 5.196 7.082 251 HA LEU 35 HA LEU 35 1.365 5.361 7.022 252 HB2 LEU 35 HB2 LEU 35 3.371 3.062 6.994 253 HB3 LEU 35 HB3 LEU 35 1.637 2.860 6.879 254 HG LEU 35 HG LEU 35 2.485 2.632 4.731 255 HD11 LEU 35 HD11 LEU 35 0.365 3.950 5.059 256 HD12 LEU 35 HD12 LEU 35 1.167 4.232 3.519 257 HD13 LEU 35 HD13 LEU 35 1.313 5.437 4.804 258 HD21 LEU 35 HD21 LEU 35 3.862 4.057 3.474 259 HD22 LEU 35 HD22 LEU 35 4.664 3.829 5.020 260 HD23 LEU 35 HD23 LEU 35 3.812 5.349 4.669 261 H ASP 36 HN ASP 36 0.555 3.331 8.571 262 HA ASP 36 HA ASP 36 1.881 3.576 11.194 263 HB2 ASP 36 HB2 ASP 36 -0.193 3.707 12.371 264 HB3 ASP 36 HB3 ASP 36 -0.125 5.046 11.232 265 H GLU 37 HN GLU 37 0.857 1.874 12.716 266 HA GLU 37 HA GLU 37 1.791 -0.640 11.698 267 HB2 GLU 37 HB2 GLU 37 1.941 0.138 14.030 268 HB3 GLU 37 HB3 GLU 37 0.181 0.004 14.199 269 HG2 GLU 37 HG2 GLU 37 0.250 -2.383 13.967 270 HG3 GLU 37 HG3 GLU 37 1.888 -2.333 13.299 271 H ARG 38 HN ARG 38 -1.386 0.828 11.964 272 HA ARG 38 HA ARG 38 -2.944 -1.516 11.613 273 HB2 ARG 38 HB2 ARG 38 -3.721 1.296 10.739 274 HB3 ARG 38 HB3 ARG 38 -4.805 -0.041 11.139 275 HG2 ARG 38 HG2 ARG 38 -3.904 0.019 13.493 276 HG3 ARG 38 HG3 ARG 38 -2.932 1.429 13.047 277 HD2 ARG 38 HD2 ARG 38 -4.748 2.417 14.045 278 HD3 ARG 38 HD3 ARG 38 -5.151 2.534 12.327 279 HE ARG 38 HE ARG 38 -6.253 0.118 13.282 280 HH11 ARG 38 HH11 ARG 38 -6.698 3.608 13.823 281 HH12 ARG 38 HH12 ARG 38 -8.286 3.423 14.510 282 HH21 ARG 38 HH21 ARG 38 -8.295 -0.088 14.312 283 HH22 ARG 38 HH22 ARG 38 -9.357 1.279 14.377 284 H ALA 39 HN ALA 39 -1.399 0.692 9.365 285 HA ALA 39 HA ALA 39 -2.480 -0.381 6.942 286 HB1 ALA 39 HB1 ALA 39 -1.214 1.808 7.144 287 HB2 ALA 39 HB2 ALA 39 0.275 0.858 7.326 288 HB3 ALA 39 HB3 ALA 39 -0.658 0.741 5.835 289 H ILE 40 HN ILE 40 0.362 -1.307 8.947 290 HA ILE 40 HA ILE 40 1.426 -3.190 7.051 291 HB ILE 40 HB ILE 40 1.622 -3.421 10.074 292 HG12 ILE 40 HG12 ILE 40 2.282 -1.188 9.670 293 HG13 ILE 40 HG13 ILE 40 3.725 -2.135 9.948 294 HG21 ILE 40 HG21 ILE 40 2.467 -5.377 8.816 295 HG22 ILE 40 HG22 ILE 40 3.563 -4.322 7.912 296 HG23 ILE 40 HG23 ILE 40 3.732 -4.521 9.682 297 HD11 ILE 40 HD11 ILE 40 2.691 -1.128 7.258 298 HD12 ILE 40 HD12 ILE 40 4.076 -0.542 8.189 299 HD13 ILE 40 HD13 ILE 40 4.142 -2.149 7.466 300 H GLU 41 HN GLU 41 -0.791 -3.671 9.846 301 HA GLU 41 HA GLU 41 -1.084 -6.509 9.416 302 HB2 GLU 41 HB2 GLU 41 -1.682 -5.126 11.518 303 HB3 GLU 41 HB3 GLU 41 -3.125 -4.599 10.660 304 HG2 GLU 41 HG2 GLU 41 -3.787 -6.425 12.018 305 HG3 GLU 41 HG3 GLU 41 -3.748 -7.065 10.378 306 H ALA 42 HN ALA 42 -3.154 -3.721 8.415 307 HA ALA 42 HA ALA 42 -5.060 -5.363 7.116 308 HB1 ALA 42 HB1 ALA 42 -5.854 -3.252 6.119 309 HB2 ALA 42 HB2 ALA 42 -5.521 -3.074 7.857 310 HB3 ALA 42 HB3 ALA 42 -4.360 -2.446 6.667 311 H LEU 43 HN LEU 43 -1.935 -4.110 5.934 312 HA LEU 43 HA LEU 43 -2.322 -4.753 3.172 313 HB2 LEU 43 HB2 LEU 43 0.038 -4.330 4.995 314 HB3 LEU 43 HB3 LEU 43 0.322 -5.240 3.542 315 HG LEU 43 HG LEU 43 -0.781 -2.420 3.619 316 HD11 LEU 43 HD11 LEU 43 1.939 -3.516 2.771 317 HD12 LEU 43 HD12 LEU 43 1.605 -2.646 4.280 318 HD13 LEU 43 HD13 LEU 43 1.436 -1.817 2.722 319 HD21 LEU 43 HD21 LEU 43 -0.306 -2.438 1.149 320 HD22 LEU 43 HD22 LEU 43 -1.622 -3.523 1.587 321 HD23 LEU 43 HD23 LEU 43 -0.008 -4.187 1.246 322 H LYS 44 HN LYS 44 -0.948 -6.757 5.912 323 HA LYS 44 HA LYS 44 -0.664 -9.056 4.275 324 HB2 LYS 44 HB2 LYS 44 -0.529 -8.485 7.164 325 HB3 LYS 44 HB3 LYS 44 -1.347 -9.991 6.841 326 HG2 LYS 44 HG2 LYS 44 0.616 -11.009 6.618 327 HG3 LYS 44 HG3 LYS 44 0.836 -10.185 5.101 328 HD2 LYS 44 HD2 LYS 44 2.683 -9.296 5.980 329 HD3 LYS 44 HD3 LYS 44 1.682 -8.233 6.887 330 HE2 LYS 44 HE2 LYS 44 1.461 -10.131 8.646 331 HE3 LYS 44 HE3 LYS 44 2.796 -10.923 7.768 332 HZ1 LYS 44 HZ1 LYS 44 2.801 -8.515 9.409 333 HZ2 LYS 44 HZ2 LYS 44 3.966 -8.662 8.235 334 HZ3 LYS 44 HZ3 LYS 44 3.856 -9.749 9.438 335 H GLU 45 HN GLU 45 -3.492 -7.906 6.144 336 HA GLU 45 HA GLU 45 -5.067 -10.232 5.436 337 HB2 GLU 45 HB2 GLU 45 -6.093 -7.601 6.471 338 HB3 GLU 45 HB3 GLU 45 -6.932 -9.141 6.444 339 HG2 GLU 45 HG2 GLU 45 -4.862 -9.971 7.886 340 HG3 GLU 45 HG3 GLU 45 -4.781 -8.257 8.325 341 H PHE 46 HN PHE 46 -3.974 -9.171 3.098 342 HA PHE 46 HA PHE 46 -6.472 -9.015 1.611 343 HB2 PHE 46 HB2 PHE 46 -4.086 -7.212 1.174 344 HB3 PHE 46 HB3 PHE 46 -4.953 -7.840 -0.217 345 HD1 PHE 46 HD1 PHE 46 -7.524 -7.531 -0.331 346 HD2 PHE 46 HD2 PHE 46 -4.860 -5.190 2.122 347 HE1 PHE 46 HE1 PHE 46 -9.145 -5.659 -0.360 348 HE2 PHE 46 HE2 PHE 46 -6.469 -3.332 2.087 349 HZ PHE 46 HZ PHE 46 -8.611 -3.538 0.816 350 H ASN 47 HN ASN 47 -6.305 -10.373 -0.266 351 HA ASN 47 HA ASN 47 -4.099 -12.281 -0.421 352 HB2 ASN 47 HB2 ASN 47 -5.234 -13.050 -2.466 353 HB3 ASN 47 HB3 ASN 47 -6.329 -13.010 -1.137 354 HD21 ASN 47 HD21 ASN 47 -6.424 -12.589 -4.298 355 HD22 ASN 47 HD22 ASN 47 -7.588 -11.290 -4.406 356 H GLU 48 HN GLU 48 -3.055 -12.534 -2.557 357 HA GLU 48 HA GLU 48 -1.380 -10.567 -3.305 358 HB2 GLU 48 HB2 GLU 48 -1.431 -13.096 -3.786 359 HB3 GLU 48 HB3 GLU 48 -2.566 -12.750 -5.091 360 HG2 GLU 48 HG2 GLU 48 -0.762 -11.010 -5.844 361 HG3 GLU 48 HG3 GLU 48 0.272 -11.903 -4.714 362 H ASP 49 HN ASP 49 -4.267 -11.536 -5.257 363 HA ASP 49 HA ASP 49 -3.964 -9.430 -7.105 364 HB2 ASP 49 HB2 ASP 49 -5.602 -11.753 -6.763 365 HB3 ASP 49 HB3 ASP 49 -6.715 -10.415 -6.926 366 H GLY 50 HN GLY 50 -5.699 -9.621 -4.044 367 HA2 GLY 50 HA1 GLY 50 -7.352 -7.300 -4.449 368 HA3 GLY 50 HA2 GLY 50 -7.015 -8.103 -2.902 369 H ALA 51 HN ALA 51 -4.367 -7.906 -2.529 370 HA ALA 51 HA ALA 51 -3.865 -5.253 -1.735 371 HB1 ALA 51 HB1 ALA 51 -2.753 -7.203 -0.720 372 HB2 ALA 51 HB2 ALA 51 -1.944 -7.553 -2.254 373 HB3 ALA 51 HB3 ALA 51 -1.557 -6.063 -1.350 374 H LEU 52 HN LEU 52 -2.867 -6.985 -4.767 375 HA LEU 52 HA LEU 52 -1.232 -4.869 -5.719 376 HB2 LEU 52 HB2 LEU 52 -2.598 -7.234 -6.939 377 HB3 LEU 52 HB3 LEU 52 -2.376 -5.888 -8.036 378 HG LEU 52 HG LEU 52 -0.534 -7.409 -8.207 379 HD11 LEU 52 HD11 LEU 52 0.501 -4.866 -6.865 380 HD12 LEU 52 HD12 LEU 52 -0.124 -4.950 -8.522 381 HD13 LEU 52 HD13 LEU 52 1.315 -5.873 -8.060 382 HD21 LEU 52 HD21 LEU 52 1.111 -7.657 -6.379 383 HD22 LEU 52 HD22 LEU 52 -0.453 -8.396 -6.007 384 HD23 LEU 52 HD23 LEU 52 0.005 -6.841 -5.273 385 H ALA 53 HN ALA 53 -4.760 -5.357 -6.060 386 HA ALA 53 HA ALA 53 -5.149 -3.092 -7.691 387 HB1 ALA 53 HB1 ALA 53 -7.454 -3.374 -7.242 388 HB2 ALA 53 HB2 ALA 53 -6.805 -5.000 -7.077 389 HB3 ALA 53 HB3 ALA 53 -7.172 -4.062 -5.626 390 H VAL 54 HN VAL 54 -5.224 -3.464 -4.169 391 HA VAL 54 HA VAL 54 -5.821 -0.807 -3.426 392 HB VAL 54 HB VAL 54 -4.151 -2.971 -2.137 393 HG11 VAL 54 HG11 VAL 54 -3.662 -0.823 -1.026 394 HG12 VAL 54 HG12 VAL 54 -5.411 -0.668 -0.712 395 HG13 VAL 54 HG13 VAL 54 -4.476 -2.001 0.010 396 HG21 VAL 54 HG21 VAL 54 -6.077 -3.711 -1.014 397 HG22 VAL 54 HG22 VAL 54 -6.984 -2.217 -1.352 398 HG23 VAL 54 HG23 VAL 54 -6.702 -3.395 -2.628 399 H LEU 55 HN LEU 55 -2.719 -2.251 -4.471 400 HA LEU 55 HA LEU 55 -1.144 0.065 -3.661 401 HB2 LEU 55 HB2 LEU 55 -0.483 -2.347 -5.418 402 HB3 LEU 55 HB3 LEU 55 0.617 -1.010 -5.150 403 HG LEU 55 HG LEU 55 -0.303 -3.052 -3.108 404 HD11 LEU 55 HD11 LEU 55 2.392 -2.158 -4.220 405 HD12 LEU 55 HD12 LEU 55 1.520 -3.647 -4.644 406 HD13 LEU 55 HD13 LEU 55 2.152 -3.414 -3.010 407 HD21 LEU 55 HD21 LEU 55 -0.335 -0.968 -1.873 408 HD22 LEU 55 HD22 LEU 55 1.197 -0.455 -2.610 409 HD23 LEU 55 HD23 LEU 55 1.145 -1.832 -1.478 410 H GLN 56 HN GLN 56 -2.284 -1.310 -6.790 411 HA GLN 56 HA GLN 56 -1.034 0.597 -8.409 412 HB2 GLN 56 HB2 GLN 56 -2.188 -0.339 -10.170 413 HB3 GLN 56 HB3 GLN 56 -2.260 -1.637 -8.979 414 HG2 GLN 56 HG2 GLN 56 -4.569 -0.634 -8.358 415 HG3 GLN 56 HG3 GLN 56 -4.472 0.232 -9.872 416 HE21 GLN 56 HE21 GLN 56 -6.503 -1.558 -9.227 417 HE22 GLN 56 HE22 GLN 56 -6.367 -3.030 -10.169 418 H GLN 57 HN GLN 57 -4.197 0.682 -6.767 419 HA GLN 57 HA GLN 57 -4.876 3.272 -7.930 420 HB2 GLN 57 HB2 GLN 57 -6.317 1.177 -6.967 421 HB3 GLN 57 HB3 GLN 57 -6.380 2.236 -5.551 422 HG2 GLN 57 HG2 GLN 57 -7.261 4.077 -6.953 423 HG3 GLN 57 HG3 GLN 57 -7.011 3.086 -8.387 424 HE21 GLN 57 HE21 GLN 57 -8.771 3.056 -5.222 425 HE22 GLN 57 HE22 GLN 57 -10.147 2.137 -5.778 426 H PHE 58 HN PHE 58 -3.023 2.335 -5.391 427 HA PHE 58 HA PHE 58 -3.262 4.741 -3.726 428 HB2 PHE 58 HB2 PHE 58 -2.112 2.527 -2.976 429 HB3 PHE 58 HB3 PHE 58 -0.755 3.032 -3.935 430 HD1 PHE 58 HD1 PHE 58 -3.012 4.998 -1.576 431 HD2 PHE 58 HD2 PHE 58 0.970 3.588 -2.495 432 HE1 PHE 58 HE1 PHE 58 -2.091 6.362 0.248 433 HE2 PHE 58 HE2 PHE 58 1.878 5.003 -0.669 434 HZ PHE 58 HZ PHE 58 0.343 6.363 0.706 435 H LYS 59 HN LYS 59 -0.780 3.643 -6.072 436 HA LYS 59 HA LYS 59 0.407 6.240 -6.322 437 HB2 LYS 59 HB2 LYS 59 1.511 3.994 -6.879 438 HB3 LYS 59 HB3 LYS 59 0.546 3.988 -8.363 439 HG2 LYS 59 HG2 LYS 59 2.602 4.894 -9.039 440 HG3 LYS 59 HG3 LYS 59 1.587 6.289 -8.877 441 HD2 LYS 59 HD2 LYS 59 3.230 7.191 -7.656 442 HD3 LYS 59 HD3 LYS 59 2.679 6.175 -6.339 443 HE2 LYS 59 HE2 LYS 59 5.085 6.019 -6.533 444 HE3 LYS 59 HE3 LYS 59 4.380 4.461 -6.931 445 HZ1 LYS 59 HZ1 LYS 59 4.828 4.751 -9.178 446 HZ2 LYS 59 HZ2 LYS 59 6.189 5.358 -8.525 447 HZ3 LYS 59 HZ3 LYS 59 5.002 6.363 -9.099 448 H ASP 60 HN ASP 60 -2.097 4.552 -8.240 449 HA ASP 60 HA ASP 60 -2.309 6.691 -10.183 450 HB2 ASP 60 HB2 ASP 60 -2.583 4.233 -10.632 451 HB3 ASP 60 HB3 ASP 60 -4.110 4.276 -9.742 452 H SER 61 HN SER 61 -2.557 7.998 -8.035 453 HA SER 61 HA SER 61 -5.245 9.055 -8.075 454 HB2 SER 61 HB2 SER 61 -4.711 7.293 -5.995 455 HB3 SER 61 HB3 SER 61 -4.220 8.811 -5.270 456 HG SER 61 HG SER 61 -6.283 9.623 -5.564 457 H ASP 62 HN ASP 62 -4.965 11.032 -6.205 458 HA ASP 62 HA ASP 62 -2.389 12.405 -6.747 459 HB2 ASP 62 HB2 ASP 62 -4.109 13.248 -8.311 460 HB3 ASP 62 HB3 ASP 62 -5.139 13.680 -6.934 461 H LEU 63 HN LEU 63 -1.493 12.674 -4.907 462 HA LEU 63 HA LEU 63 -2.961 12.739 -2.337 463 HB2 LEU 63 HB2 LEU 63 0.010 12.391 -2.847 464 HB3 LEU 63 HB3 LEU 63 -0.893 12.070 -1.356 465 HG LEU 63 HG LEU 63 -1.330 10.493 -3.933 466 HD11 LEU 63 HD11 LEU 63 0.394 9.749 -1.548 467 HD12 LEU 63 HD12 LEU 63 0.971 10.156 -3.183 468 HD13 LEU 63 HD13 LEU 63 -0.047 8.728 -2.937 469 HD21 LEU 63 HD21 LEU 63 -3.208 10.434 -2.350 470 HD22 LEU 63 HD22 LEU 63 -2.108 9.957 -1.036 471 HD23 LEU 63 HD23 LEU 63 -2.396 8.868 -2.413 472 H SER 64 HN SER 64 -2.662 15.095 -4.232 473 HA SER 64 HA SER 64 -0.740 16.937 -3.168 474 HB2 SER 64 HB2 SER 64 -1.548 17.050 -5.442 475 HB3 SER 64 HB3 SER 64 -3.223 17.239 -4.891 476 HG SER 64 HG SER 64 -2.811 19.233 -5.102 477 H HIS 65 HN HIS 65 -3.970 16.033 -2.028 478 HA HIS 65 HA HIS 65 -4.041 18.423 -0.243 479 HB2 HIS 65 HB2 HIS 65 -6.271 17.086 -1.826 480 HB3 HIS 65 HB3 HIS 65 -6.560 18.211 -0.510 481 HD1 HIS 65 HD1 HIS 65 -7.566 18.905 -3.393 482 HD2 HIS 65 HD2 HIS 65 -3.985 20.183 -1.604 483 HE1 HIS 65 HE1 HIS 65 -7.052 21.197 -4.396 484 H VAL 66 HN VAL 66 -3.192 15.396 0.076 485 HA VAL 66 HA VAL 66 -5.065 14.766 2.281 486 HB VAL 66 HB VAL 66 -4.464 13.043 0.595 487 HG11 VAL 66 HG11 VAL 66 -1.720 12.892 1.859 488 HG12 VAL 66 HG12 VAL 66 -2.449 11.814 0.636 489 HG13 VAL 66 HG13 VAL 66 -2.098 13.497 0.237 490 HG21 VAL 66 HG21 VAL 66 -4.252 11.298 2.369 491 HG22 VAL 66 HG22 VAL 66 -3.602 12.469 3.493 492 HG23 VAL 66 HG23 VAL 66 -5.289 12.591 2.936 493 H GLN 67 HN GLN 67 -4.470 14.889 4.417 494 HA GLN 67 HA GLN 67 -2.062 16.425 4.979 495 HB2 GLN 67 HB2 GLN 67 -3.562 15.325 7.302 496 HB3 GLN 67 HB3 GLN 67 -2.919 16.920 7.010 497 HG2 GLN 67 HG2 GLN 67 -5.181 17.324 7.085 498 HG3 GLN 67 HG3 GLN 67 -4.943 17.177 5.347 499 HE21 GLN 67 HE21 GLN 67 -6.091 15.505 8.287 500 HE22 GLN 67 HE22 GLN 67 -7.191 14.419 7.434 501 H ASN 68 HN ASN 68 -3.080 13.067 5.360 502 HA ASN 68 HA ASN 68 -0.547 12.336 6.750 503 HB2 ASN 68 HB2 ASN 68 -2.794 10.749 7.704 504 HB3 ASN 68 HB3 ASN 68 -1.593 11.620 8.600 505 HD21 ASN 68 HD21 ASN 68 -4.804 11.954 6.986 506 HD22 ASN 68 HD22 ASN 68 -5.270 13.329 7.962 507 H LYS 69 HN LYS 69 0.421 10.736 5.586 508 HA LYS 69 HA LYS 69 -0.793 9.853 3.211 509 HB2 LYS 69 HB2 LYS 69 1.518 8.501 4.658 510 HB3 LYS 69 HB3 LYS 69 1.141 8.363 2.942 511 HG2 LYS 69 HG2 LYS 69 2.211 10.760 4.444 512 HG3 LYS 69 HG3 LYS 69 2.969 9.794 3.175 513 HD2 LYS 69 HD2 LYS 69 1.133 10.684 1.610 514 HD3 LYS 69 HD3 LYS 69 0.731 11.828 2.900 515 HE2 LYS 69 HE2 LYS 69 3.603 11.802 2.659 516 HE3 LYS 69 HE3 LYS 69 2.948 11.887 1.012 517 HZ1 LYS 69 HZ1 LYS 69 2.175 13.759 3.172 518 HZ2 LYS 69 HZ2 LYS 69 1.739 13.814 1.593 519 HZ3 LYS 69 HZ3 LYS 69 3.297 14.060 1.990 520 H SER 70 HN SER 70 -0.589 8.226 6.292 521 HA SER 70 HA SER 70 -1.418 5.567 5.511 522 HB2 SER 70 HB2 SER 70 -2.306 5.981 8.129 523 HB3 SER 70 HB3 SER 70 -0.895 5.101 7.578 524 HG SER 70 HG SER 70 0.401 6.960 7.817 525 H ALA 71 HN ALA 71 -3.091 8.629 6.546 526 HA ALA 71 HA ALA 71 -5.650 7.441 6.748 527 HB1 ALA 71 HB1 ALA 71 -4.961 9.659 7.755 528 HB2 ALA 71 HB2 ALA 71 -4.998 10.341 6.108 529 HB3 ALA 71 HB3 ALA 71 -6.488 9.721 6.831 530 H PHE 72 HN PHE 72 -3.797 8.153 3.970 531 HA PHE 72 HA PHE 72 -6.148 8.432 2.161 532 HB2 PHE 72 HB2 PHE 72 -3.718 9.424 1.746 533 HB3 PHE 72 HB3 PHE 72 -3.329 7.824 1.230 534 HD1 PHE 72 HD1 PHE 72 -4.551 6.775 -0.751 535 HD2 PHE 72 HD2 PHE 72 -5.157 10.879 0.435 536 HE1 PHE 72 HE1 PHE 72 -5.584 7.284 -2.958 537 HE2 PHE 72 HE2 PHE 72 -6.089 11.395 -1.755 538 HZ PHE 72 HZ PHE 72 -6.364 9.582 -3.450 539 H LEU 73 HN LEU 73 -3.537 6.237 2.985 540 HA LEU 73 HA LEU 73 -4.134 4.149 1.161 541 HB2 LEU 73 HB2 LEU 73 -1.946 4.635 2.391 542 HB3 LEU 73 HB3 LEU 73 -2.700 3.980 3.846 543 HG LEU 73 HG LEU 73 -3.092 1.820 2.509 544 HD11 LEU 73 HD11 LEU 73 -1.647 1.442 0.567 545 HD12 LEU 73 HD12 LEU 73 -0.969 3.094 0.712 546 HD13 LEU 73 HD13 LEU 73 -2.650 2.858 0.242 547 HD21 LEU 73 HD21 LEU 73 -0.185 2.618 2.875 548 HD22 LEU 73 HD22 LEU 73 -0.870 0.984 2.940 549 HD23 LEU 73 HD23 LEU 73 -1.275 2.158 4.210 550 H CYS 74 HN CYS 74 -4.836 4.568 4.618 551 HA CYS 74 HA CYS 74 -6.221 2.251 5.125 552 HB2 CYS 74 HB2 CYS 74 -6.646 3.271 7.218 553 HB3 CYS 74 HB3 CYS 74 -5.336 4.202 6.648 554 HG CYS 74 HG CYS 74 -6.970 6.138 5.540 555 H GLY 75 HN GLY 75 -7.353 5.101 3.395 556 HA2 GLY 75 HA1 GLY 75 -10.195 4.412 3.622 557 HA3 GLY 75 HA2 GLY 75 -9.491 5.629 2.558 558 H VAL 76 HN VAL 76 -7.773 4.316 0.954 559 HA VAL 76 HA VAL 76 -9.424 3.076 -0.949 560 HB VAL 76 HB VAL 76 -6.428 2.857 -0.641 561 HG11 VAL 76 HG11 VAL 76 -8.229 2.100 -2.938 562 HG12 VAL 76 HG12 VAL 76 -6.539 2.553 -3.213 563 HG13 VAL 76 HG13 VAL 76 -6.889 1.177 -2.180 564 HG21 VAL 76 HG21 VAL 76 -7.125 5.209 -0.849 565 HG22 VAL 76 HG22 VAL 76 -6.283 4.668 -2.303 566 HG23 VAL 76 HG23 VAL 76 -8.061 4.812 -2.303 567 H MET 77 HN MET 77 -7.361 1.525 1.593 568 HA MET 77 HA MET 77 -7.770 -1.170 0.821 569 HB2 MET 77 HB2 MET 77 -7.576 0.000 3.642 570 HB3 MET 77 HB3 MET 77 -7.577 -1.714 3.252 571 HG2 MET 77 HG2 MET 77 -5.565 -1.109 1.679 572 HG3 MET 77 HG3 MET 77 -5.475 0.330 2.684 573 HE1 MET 77 HE1 MET 77 -2.537 -1.355 4.401 574 HE2 MET 77 HE2 MET 77 -2.885 -0.957 2.699 575 HE3 MET 77 HE3 MET 77 -3.309 0.185 3.998 576 H LYS 78 HN LYS 78 -9.885 1.030 2.703 577 HA LYS 78 HA LYS 78 -11.554 -1.071 3.652 578 HB2 LYS 78 HB2 LYS 78 -11.126 1.412 4.492 579 HB3 LYS 78 HB3 LYS 78 -12.490 1.805 3.473 580 HG2 LYS 78 HG2 LYS 78 -12.451 -0.339 5.670 581 HG3 LYS 78 HG3 LYS 78 -13.022 1.308 5.878 582 HD2 LYS 78 HD2 LYS 78 -14.814 0.948 4.267 583 HD3 LYS 78 HD3 LYS 78 -14.264 -0.681 3.922 584 HE2 LYS 78 HE2 LYS 78 -14.796 -1.487 6.075 585 HE3 LYS 78 HE3 LYS 78 -15.075 0.144 6.716 586 HZ1 LYS 78 HZ1 LYS 78 -16.746 -0.862 4.501 587 HZ2 LYS 78 HZ2 LYS 78 -17.010 0.358 5.526 588 HZ3 LYS 78 HZ3 LYS 78 -17.115 -1.197 6.084 589 H THR 79 HN THR 79 -12.051 1.391 1.075 590 HA THR 79 HA THR 79 -14.474 0.218 0.229 591 HB THR 79 HB THR 79 -13.701 2.527 -0.186 592 HG1 THR 79 HG1 THR 79 -14.503 1.285 -2.602 593 HG21 THR 79 HG21 THR 79 -11.438 2.145 -0.973 594 HG22 THR 79 HG22 THR 79 -12.378 3.094 -2.119 595 HG23 THR 79 HG23 THR 79 -12.060 1.379 -2.456 596 H TYR 80 HN TYR 80 -11.066 -0.478 -0.940 597 HA TYR 80 HA TYR 80 -11.838 -2.299 -2.903 598 HB2 TYR 80 HB2 TYR 80 -9.402 -1.946 -1.204 599 HB3 TYR 80 HB3 TYR 80 -9.611 -3.535 -1.918 600 HD1 TYR 80 HD1 TYR 80 -10.425 -3.606 -4.417 601 HD2 TYR 80 HD2 TYR 80 -8.369 -0.329 -2.580 602 HE1 TYR 80 HE1 TYR 80 -9.742 -2.854 -6.627 603 HE2 TYR 80 HE2 TYR 80 -7.611 0.464 -4.822 604 HH TYR 80 HH TYR 80 -8.624 -1.337 -7.824 605 H ARG 81 HN ARG 81 -11.484 -3.009 0.621 606 HA ARG 81 HA ARG 81 -12.138 -5.799 0.155 607 HB2 ARG 81 HB2 ARG 81 -10.610 -4.729 1.884 608 HB3 ARG 81 HB3 ARG 81 -12.029 -4.241 2.773 609 HG2 ARG 81 HG2 ARG 81 -11.520 -7.131 1.999 610 HG3 ARG 81 HG3 ARG 81 -10.667 -6.389 3.343 611 HD2 ARG 81 HD2 ARG 81 -13.245 -5.746 4.027 612 HD3 ARG 81 HD3 ARG 81 -13.493 -7.287 3.190 613 HE ARG 81 HE ARG 81 -11.336 -7.093 5.217 614 HH11 ARG 81 HH11 ARG 81 -14.701 -8.279 4.643 615 HH12 ARG 81 HH12 ARG 81 -14.508 -9.552 5.748 616 HH21 ARG 81 HH21 ARG 81 -11.200 -8.881 6.618 617 HH22 ARG 81 HH22 ARG 81 -12.610 -9.733 7.104 618 H GLN 82 HN GLN 82 -14.131 -2.940 0.385 619 HA GLN 82 HA GLN 82 -16.512 -4.667 0.664 620 HB2 GLN 82 HB2 GLN 82 -15.730 -2.132 2.069 621 HB3 GLN 82 HB3 GLN 82 -17.398 -2.381 1.644 622 HG2 GLN 82 HG2 GLN 82 -15.743 -4.382 3.245 623 HG3 GLN 82 HG3 GLN 82 -16.761 -3.143 3.963 624 HE21 GLN 82 HE21 GLN 82 -19.024 -3.610 1.766 625 HE22 GLN 82 HE22 GLN 82 -19.803 -4.916 2.626 626 H ARG 83 HN ARG 83 -16.286 -4.796 -1.663 627 HA ARG 83 HA ARG 83 -17.218 -2.365 -3.062 628 HB2 ARG 83 HB2 ARG 83 -15.868 -2.946 -4.994 629 HB3 ARG 83 HB3 ARG 83 -14.920 -2.561 -3.568 630 HG2 ARG 83 HG2 ARG 83 -14.574 -5.028 -3.184 631 HG3 ARG 83 HG3 ARG 83 -15.410 -5.333 -4.719 632 HD2 ARG 83 HD2 ARG 83 -13.789 -3.944 -5.922 633 HD3 ARG 83 HD3 ARG 83 -13.019 -3.474 -4.413 634 HE ARG 83 HE ARG 83 -11.943 -5.487 -4.219 635 HH11 ARG 83 HH11 ARG 83 -14.195 -5.711 -6.992 636 HH12 ARG 83 HH12 ARG 83 -13.184 -6.841 -7.844 637 HH21 ARG 83 HH21 ARG 83 -10.554 -6.739 -5.490 638 HH22 ARG 83 HH22 ARG 83 -11.000 -7.358 -7.033 639 H GLU 84 HN GLU 84 -18.235 -5.210 -2.130 640 HA GLU 84 HA GLU 84 -19.959 -5.855 -4.416 641 HB2 GLU 84 HB2 GLU 84 -21.265 -7.109 -2.739 642 HB3 GLU 84 HB3 GLU 84 -19.610 -7.670 -2.851 643 HG2 GLU 84 HG2 GLU 84 -20.391 -5.699 -0.670 644 HG3 GLU 84 HG3 GLU 84 -20.782 -7.410 -0.538 645 H LYS 85 HN LYS 85 -22.194 -5.441 -4.109 646 HA LYS 85 HA LYS 85 -22.983 -2.998 -2.582 647 HB2 LYS 85 HB2 LYS 85 -23.935 -4.149 -5.199 648 HB3 LYS 85 HB3 LYS 85 -25.179 -3.669 -4.089 649 HG2 LYS 85 HG2 LYS 85 -24.715 -1.847 -5.577 650 HG3 LYS 85 HG3 LYS 85 -24.297 -1.399 -3.923 651 HD2 LYS 85 HD2 LYS 85 -22.674 -0.551 -5.512 652 HD3 LYS 85 HD3 LYS 85 -21.894 -1.711 -4.420 653 HE2 LYS 85 HE2 LYS 85 -21.773 -3.398 -6.096 654 HE3 LYS 85 HE3 LYS 85 -22.992 -2.606 -7.099 655 HZ1 LYS 85 HZ1 LYS 85 -20.304 -1.505 -6.606 656 HZ2 LYS 85 HZ2 LYS 85 -21.478 -0.844 -7.554 657 HZ3 LYS 85 HZ3 LYS 85 -20.785 -2.246 -8.000 Start of MODEL 3 1 H1 GLY 1 HN GLY 1 15.727 -3.503 -7.708 2 HA2 GLY 1 HA1 GLY 1 13.868 -1.219 -7.342 3 HA3 GLY 1 HA2 GLY 1 13.942 -2.631 -6.272 4 H SER 2 HN SER 2 14.253 -0.987 -4.625 5 HA SER 2 HA SER 2 17.105 -0.282 -4.250 6 HB2 SER 2 HB2 SER 2 14.684 1.417 -4.443 7 HB3 SER 2 HB3 SER 2 15.692 1.759 -3.028 8 HG SER 2 HG SER 2 16.183 2.410 -5.570 9 H GLU 3 HN GLU 3 17.023 0.725 -1.767 10 HA GLU 3 HA GLU 3 17.471 -1.362 -0.080 11 HB2 GLU 3 HB2 GLU 3 18.096 1.044 0.207 12 HB3 GLU 3 HB3 GLU 3 16.407 1.453 0.432 13 HG2 GLU 3 HG2 GLU 3 17.128 1.512 2.576 14 HG3 GLU 3 HG3 GLU 3 16.506 -0.125 2.527 15 H ASN 4 HN ASN 4 14.472 0.394 -0.567 16 HA ASN 4 HA ASN 4 13.021 -0.575 1.622 17 HB2 ASN 4 HB2 ASN 4 11.529 0.025 -0.938 18 HB3 ASN 4 HB3 ASN 4 11.121 0.451 0.713 19 HD21 ASN 4 HD21 ASN 4 12.820 1.365 -2.162 20 HD22 ASN 4 HD22 ASN 4 13.362 2.955 -1.600 21 H PHE 5 HN PHE 5 13.463 -1.924 -1.623 22 HA PHE 5 HA PHE 5 11.338 -3.765 -1.702 23 HB2 PHE 5 HB2 PHE 5 12.818 -3.200 -3.619 24 HB3 PHE 5 HB3 PHE 5 14.130 -4.084 -2.868 25 HD1 PHE 5 HD1 PHE 5 10.599 -4.542 -4.138 26 HD2 PHE 5 HD2 PHE 5 14.384 -6.417 -3.201 27 HE1 PHE 5 HE1 PHE 5 9.856 -6.650 -5.225 28 HE2 PHE 5 HE2 PHE 5 13.587 -8.516 -4.256 29 HZ PHE 5 HZ PHE 5 11.366 -8.606 -5.326 30 H GLN 6 HN GLN 6 14.718 -4.416 -0.585 31 HA GLN 6 HA GLN 6 14.027 -7.131 0.068 32 HB2 GLN 6 HB2 GLN 6 16.347 -6.452 -0.395 33 HB3 GLN 6 HB3 GLN 6 16.366 -5.460 1.074 34 HG2 GLN 6 HG2 GLN 6 17.473 -7.598 1.481 35 HG3 GLN 6 HG3 GLN 6 16.020 -7.484 2.463 36 HE21 GLN 6 HE21 GLN 6 14.301 -8.935 2.086 37 HE22 GLN 6 HE22 GLN 6 14.503 -10.372 1.099 38 H THR 7 HN THR 7 14.154 -4.111 2.067 39 HA THR 7 HA THR 7 13.584 -5.443 4.499 40 HB THR 7 HB THR 7 12.876 -2.582 3.754 41 HG1 THR 7 HG1 THR 7 15.027 -2.148 4.416 42 HG21 THR 7 HG21 THR 7 12.180 -3.378 6.024 43 HG22 THR 7 HG22 THR 7 13.437 -2.129 6.111 44 HG23 THR 7 HG23 THR 7 13.858 -3.837 6.362 45 H LEU 8 HN LEU 8 11.432 -4.222 1.914 46 HA LEU 8 HA LEU 8 8.946 -4.659 3.283 47 HB2 LEU 8 HB2 LEU 8 9.679 -4.695 0.336 48 HB3 LEU 8 HB3 LEU 8 8.064 -4.959 0.916 49 HG LEU 8 HG LEU 8 9.576 -2.377 1.543 50 HD11 LEU 8 HD11 LEU 8 8.424 -1.389 -0.363 51 HD12 LEU 8 HD12 LEU 8 7.780 -2.999 -0.812 52 HD13 LEU 8 HD13 LEU 8 9.519 -2.667 -0.869 53 HD21 LEU 8 HD21 LEU 8 7.351 -1.459 1.881 54 HD22 LEU 8 HD22 LEU 8 7.728 -2.753 3.023 55 HD23 LEU 8 HD23 LEU 8 6.655 -3.086 1.651 56 H LEU 9 HN LEU 9 11.076 -6.807 1.359 57 HA LEU 9 HA LEU 9 9.248 -9.029 1.345 58 HB2 LEU 9 HB2 LEU 9 12.193 -8.640 0.797 59 HB3 LEU 9 HB3 LEU 9 11.675 -10.252 1.213 60 HG LEU 9 HG LEU 9 11.715 -10.150 -1.104 61 HD11 LEU 9 HD11 LEU 9 9.665 -10.986 -1.674 62 HD12 LEU 9 HD12 LEU 9 8.747 -9.811 -0.686 63 HD13 LEU 9 HD13 LEU 9 9.613 -11.161 0.072 64 HD21 LEU 9 HD21 LEU 9 10.057 -7.633 -0.999 65 HD22 LEU 9 HD22 LEU 9 10.451 -8.551 -2.476 66 HD23 LEU 9 HD23 LEU 9 11.747 -7.822 -1.519 67 H ASP 10 HN ASP 10 11.168 -7.684 3.854 68 HA ASP 10 HA ASP 10 10.840 -10.137 5.539 69 HB2 ASP 10 HB2 ASP 10 13.048 -8.759 5.395 70 HB3 ASP 10 HB3 ASP 10 12.216 -7.624 6.473 71 H ALA 11 HN ALA 11 9.287 -7.196 4.817 72 HA ALA 11 HA ALA 11 8.257 -6.470 7.386 73 HB1 ALA 11 HB1 ALA 11 8.549 -4.870 5.499 74 HB2 ALA 11 HB2 ALA 11 7.204 -5.698 4.650 75 HB3 ALA 11 HB3 ALA 11 6.913 -4.847 6.175 76 H GLY 12 HN GLY 12 7.569 -9.185 5.659 77 HA2 GLY 12 HA1 GLY 12 5.863 -10.686 6.285 78 HA3 GLY 12 HA2 GLY 12 4.825 -9.394 6.713 79 H LEU 13 HN LEU 13 6.479 -9.021 3.625 80 HA LEU 13 HA LEU 13 3.831 -9.365 2.339 81 HB2 LEU 13 HB2 LEU 13 6.179 -7.597 1.577 82 HB3 LEU 13 HB3 LEU 13 4.604 -7.612 0.801 83 HG LEU 13 HG LEU 13 4.935 -6.942 3.768 84 HD11 LEU 13 HD11 LEU 13 4.877 -4.624 3.267 85 HD12 LEU 13 HD12 LEU 13 4.693 -4.908 1.536 86 HD13 LEU 13 HD13 LEU 13 6.216 -5.334 2.359 87 HD21 LEU 13 HD21 LEU 13 2.725 -5.919 3.482 88 HD22 LEU 13 HD22 LEU 13 2.667 -7.636 3.077 89 HD23 LEU 13 HD23 LEU 13 2.688 -6.425 1.773 90 HA PRO 14 HA PRO 14 5.585 -12.254 -0.617 91 HB2 PRO 14 HB2 PRO 14 3.968 -11.868 -2.804 92 HB3 PRO 14 HB3 PRO 14 3.404 -12.691 -1.327 93 HG2 PRO 14 HG2 PRO 14 3.055 -9.801 -2.100 94 HG3 PRO 14 HG3 PRO 14 1.797 -10.933 -1.512 95 HD2 PRO 14 HD2 PRO 14 3.024 -9.151 0.134 96 HD3 PRO 14 HD3 PRO 14 2.622 -10.795 0.711 97 H GLN 15 HN GLN 15 6.672 -12.265 -2.805 98 HA GLN 15 HA GLN 15 8.346 -9.927 -3.114 99 HB2 GLN 15 HB2 GLN 15 9.217 -12.185 -3.484 100 HB3 GLN 15 HB3 GLN 15 8.020 -12.515 -4.726 101 HG2 GLN 15 HG2 GLN 15 9.078 -11.254 -6.328 102 HG3 GLN 15 HG3 GLN 15 9.714 -10.099 -5.170 103 HE21 GLN 15 HE21 GLN 15 11.614 -10.484 -6.828 104 HE22 GLN 15 HE22 GLN 15 12.789 -11.650 -6.268 105 H LYS 16 HN LYS 16 5.687 -11.467 -4.880 106 HA LYS 16 HA LYS 16 5.807 -9.904 -7.129 107 HB2 LYS 16 HB2 LYS 16 3.678 -11.541 -5.766 108 HB3 LYS 16 HB3 LYS 16 3.094 -10.483 -7.018 109 HG2 LYS 16 HG2 LYS 16 5.559 -12.041 -7.748 110 HG3 LYS 16 HG3 LYS 16 4.114 -13.015 -7.470 111 HD2 LYS 16 HD2 LYS 16 2.992 -12.203 -9.261 112 HD3 LYS 16 HD3 LYS 16 3.658 -10.580 -9.123 113 HE2 LYS 16 HE2 LYS 16 5.493 -12.789 -10.009 114 HE3 LYS 16 HE3 LYS 16 4.281 -12.184 -11.137 115 HZ1 LYS 16 HZ1 LYS 16 6.253 -10.974 -11.428 116 HZ2 LYS 16 HZ2 LYS 16 6.386 -10.502 -9.875 117 HZ3 LYS 16 HZ3 LYS 16 5.154 -9.932 -10.770 118 H VAL 17 HN VAL 17 4.188 -8.998 -4.121 119 HA VAL 17 HA VAL 17 2.916 -6.659 -5.348 120 HB VAL 17 HB VAL 17 3.128 -7.551 -2.445 121 HG11 VAL 17 HG11 VAL 17 1.282 -5.456 -3.682 122 HG12 VAL 17 HG12 VAL 17 1.388 -5.933 -1.967 123 HG13 VAL 17 HG13 VAL 17 2.737 -5.095 -2.726 124 HG21 VAL 17 HG21 VAL 17 0.817 -8.304 -2.659 125 HG22 VAL 17 HG22 VAL 17 0.739 -7.746 -4.345 126 HG23 VAL 17 HG23 VAL 17 1.760 -9.121 -3.905 127 H ALA 18 HN ALA 18 5.702 -7.446 -3.110 128 HA ALA 18 HA ALA 18 6.527 -4.870 -2.668 129 HB1 ALA 18 HB1 ALA 18 8.750 -5.798 -2.216 130 HB2 ALA 18 HB2 ALA 18 7.485 -6.856 -1.562 131 HB3 ALA 18 HB3 ALA 18 8.320 -7.291 -3.070 132 H GLU 19 HN GLU 19 7.071 -6.778 -5.613 133 HA GLU 19 HA GLU 19 8.946 -5.105 -6.881 134 HB2 GLU 19 HB2 GLU 19 6.646 -6.726 -8.125 135 HB3 GLU 19 HB3 GLU 19 7.989 -6.001 -9.018 136 HG2 GLU 19 HG2 GLU 19 9.560 -7.375 -7.624 137 HG3 GLU 19 HG3 GLU 19 8.155 -8.322 -7.116 138 H LYS 20 HN LYS 20 5.562 -4.454 -6.405 139 HA LYS 20 HA LYS 20 5.870 -2.017 -8.169 140 HB2 LYS 20 HB2 LYS 20 3.263 -1.875 -7.724 141 HB3 LYS 20 HB3 LYS 20 3.983 -2.668 -9.086 142 HG2 LYS 20 HG2 LYS 20 3.213 -4.219 -6.600 143 HG3 LYS 20 HG3 LYS 20 2.024 -3.786 -7.810 144 HD2 LYS 20 HD2 LYS 20 4.548 -5.320 -8.529 145 HD3 LYS 20 HD3 LYS 20 3.049 -6.099 -8.049 146 HE2 LYS 20 HE2 LYS 20 1.844 -5.312 -9.913 147 HE3 LYS 20 HE3 LYS 20 3.031 -4.051 -10.261 148 HZ1 LYS 20 HZ1 LYS 20 3.259 -5.881 -11.805 149 HZ2 LYS 20 HZ2 LYS 20 3.549 -6.939 -10.602 150 HZ3 LYS 20 HZ3 LYS 20 4.601 -5.703 -10.882 151 H LEU 21 HN LEU 21 6.177 -2.899 -5.006 152 HA LEU 21 HA LEU 21 4.896 -0.460 -3.891 153 HB2 LEU 21 HB2 LEU 21 4.418 -2.965 -3.278 154 HB3 LEU 21 HB3 LEU 21 5.907 -2.867 -2.365 155 HG LEU 21 HG LEU 21 4.035 -0.619 -1.849 156 HD11 LEU 21 HD11 LEU 21 3.302 -3.371 -0.665 157 HD12 LEU 21 HD12 LEU 21 2.482 -2.775 -2.092 158 HD13 LEU 21 HD13 LEU 21 2.382 -1.867 -0.601 159 HD21 LEU 21 HD21 LEU 21 5.089 -2.437 0.251 160 HD22 LEU 21 HD22 LEU 21 4.804 -0.663 0.199 161 HD23 LEU 21 HD23 LEU 21 6.158 -1.402 -0.690 162 H ASP 22 HN ASP 22 8.094 -1.969 -4.260 163 HA ASP 22 HA ASP 22 9.506 -0.287 -2.438 164 HB2 ASP 22 HB2 ASP 22 10.620 -2.132 -3.290 165 HB3 ASP 22 HB3 ASP 22 10.178 -1.764 -4.948 166 H GLU 23 HN GLU 23 8.601 0.306 -5.859 167 HA GLU 23 HA GLU 23 9.822 2.764 -6.279 168 HB2 GLU 23 HB2 GLU 23 7.530 1.230 -7.405 169 HB3 GLU 23 HB3 GLU 23 7.371 2.953 -7.648 170 HG2 GLU 23 HG2 GLU 23 9.838 1.354 -8.398 171 HG3 GLU 23 HG3 GLU 23 8.544 1.802 -9.513 172 H ILE 24 HN ILE 24 7.103 2.143 -4.246 173 HA ILE 24 HA ILE 24 5.955 4.815 -4.380 174 HB ILE 24 HB ILE 24 5.512 2.596 -2.341 175 HG12 ILE 24 HG12 ILE 24 4.279 3.169 -5.061 176 HG13 ILE 24 HG13 ILE 24 5.082 1.694 -4.565 177 HG21 ILE 24 HG21 ILE 24 3.649 4.863 -3.071 178 HG22 ILE 24 HG22 ILE 24 3.371 3.569 -1.867 179 HG23 ILE 24 HG23 ILE 24 4.633 4.742 -1.599 180 HD11 ILE 24 HD11 ILE 24 2.310 2.617 -3.765 181 HD12 ILE 24 HD12 ILE 24 2.774 1.250 -4.766 182 HD13 ILE 24 HD13 ILE 24 3.168 1.225 -3.018 183 H TYR 25 HN TYR 25 8.529 3.296 -2.725 184 HA TYR 25 HA TYR 25 8.900 5.510 -0.770 185 HB2 TYR 25 HB2 TYR 25 10.427 2.963 -1.132 186 HB3 TYR 25 HB3 TYR 25 10.617 4.136 0.180 187 HD1 TYR 25 HD1 TYR 25 8.449 4.745 1.494 188 HD2 TYR 25 HD2 TYR 25 8.769 1.290 -1.043 189 HE1 TYR 25 HE1 TYR 25 6.464 3.721 2.637 190 HE2 TYR 25 HE2 TYR 25 6.774 0.326 0.011 191 HH TYR 25 HH TYR 25 5.695 1.457 3.090 192 H VAL 26 HN VAL 26 10.292 4.213 -3.751 193 HA VAL 26 HA VAL 26 12.767 5.538 -3.701 194 HB VAL 26 HB VAL 26 10.981 4.645 -5.987 195 HG11 VAL 26 HG11 VAL 26 12.994 4.717 -7.420 196 HG12 VAL 26 HG12 VAL 26 12.468 6.326 -6.934 197 HG13 VAL 26 HG13 VAL 26 13.869 5.585 -6.124 198 HG21 VAL 26 HG21 VAL 26 13.536 3.468 -4.784 199 HG22 VAL 26 HG22 VAL 26 11.908 2.855 -4.467 200 HG23 VAL 26 HG23 VAL 26 12.575 2.756 -6.099 201 H ALA 27 HN ALA 27 9.612 6.764 -4.965 202 HA ALA 27 HA ALA 27 10.915 9.045 -6.164 203 HB1 ALA 27 HB1 ALA 27 9.003 7.728 -7.156 204 HB2 ALA 27 HB2 ALA 27 7.952 8.410 -5.909 205 HB3 ALA 27 HB3 ALA 27 8.719 9.481 -7.097 206 H GLY 28 HN GLY 28 10.096 8.675 -2.946 207 HA2 GLY 28 HA1 GLY 28 9.759 10.132 -1.259 208 HA3 GLY 28 HA2 GLY 28 10.115 11.453 -2.383 209 H LEU 29 HN LEU 29 7.626 9.024 -2.328 210 HA LEU 29 HA LEU 29 5.347 10.935 -2.393 211 HB2 LEU 29 HB2 LEU 29 5.332 7.869 -2.520 212 HB3 LEU 29 HB3 LEU 29 3.947 8.942 -2.652 213 HG LEU 29 HG LEU 29 6.043 9.621 -4.636 214 HD11 LEU 29 HD11 LEU 29 4.834 6.840 -4.629 215 HD12 LEU 29 HD12 LEU 29 6.542 7.253 -4.496 216 HD13 LEU 29 HD13 LEU 29 5.702 7.594 -6.008 217 HD21 LEU 29 HD21 LEU 29 4.193 9.623 -6.161 218 HD22 LEU 29 HD22 LEU 29 3.701 10.449 -4.684 219 HD23 LEU 29 HD23 LEU 29 3.136 8.792 -4.994 220 H VAL 30 HN VAL 30 5.936 7.799 -0.697 221 HA VAL 30 HA VAL 30 5.370 9.263 1.890 222 HB VAL 30 HB VAL 30 5.168 6.896 2.865 223 HG11 VAL 30 HG11 VAL 30 3.033 7.997 1.009 224 HG12 VAL 30 HG12 VAL 30 2.801 6.833 2.343 225 HG13 VAL 30 HG13 VAL 30 3.348 8.482 2.678 226 HG21 VAL 30 HG21 VAL 30 4.478 5.122 1.406 227 HG22 VAL 30 HG22 VAL 30 4.597 6.178 -0.015 228 HG23 VAL 30 HG23 VAL 30 6.060 5.702 0.853 229 H ALA 31 HN ALA 31 6.534 9.169 3.617 230 HA ALA 31 HA ALA 31 9.324 9.159 3.430 231 HB1 ALA 31 HB1 ALA 31 9.135 10.049 5.596 232 HB2 ALA 31 HB2 ALA 31 7.683 10.589 4.770 233 HB3 ALA 31 HB3 ALA 31 7.570 9.237 5.911 234 H HIS 32 HN HIS 32 8.398 6.438 3.041 235 HA HIS 32 HA HIS 32 8.399 4.325 3.700 236 HB2 HIS 32 HB2 HIS 32 10.315 3.314 4.244 237 HB3 HIS 32 HB3 HIS 32 10.868 4.771 3.482 238 HD1 HIS 32 HD1 HIS 32 10.548 3.152 6.992 239 HD2 HIS 32 HD2 HIS 32 12.477 6.321 4.979 240 HE1 HIS 32 HE1 HIS 32 12.144 4.191 8.656 241 H SER 33 HN SER 33 8.277 6.417 6.483 242 HA SER 33 HA SER 33 6.825 4.199 7.880 243 HB2 SER 33 HB2 SER 33 7.738 5.130 9.962 244 HB3 SER 33 HB3 SER 33 8.990 4.578 8.833 245 HG SER 33 HG SER 33 8.281 7.140 9.635 246 H ASP 34 HN ASP 34 5.862 6.524 6.110 247 HA ASP 34 HA ASP 34 4.556 8.485 7.668 248 HB2 ASP 34 HB2 ASP 34 4.924 7.937 4.964 249 HB3 ASP 34 HB3 ASP 34 3.202 7.705 5.117 250 H LEU 35 HN LEU 35 3.740 5.198 7.455 251 HA LEU 35 HA LEU 35 0.876 5.505 7.075 252 HB2 LEU 35 HB2 LEU 35 2.644 3.042 7.370 253 HB3 LEU 35 HB3 LEU 35 0.945 3.021 6.953 254 HG LEU 35 HG LEU 35 2.057 2.698 4.971 255 HD11 LEU 35 HD11 LEU 35 1.395 5.659 4.878 256 HD12 LEU 35 HD12 LEU 35 0.198 4.340 4.820 257 HD13 LEU 35 HD13 LEU 35 1.437 4.474 3.539 258 HD21 LEU 35 HD21 LEU 35 4.332 3.573 5.682 259 HD22 LEU 35 HD22 LEU 35 3.774 5.184 5.174 260 HD23 LEU 35 HD23 LEU 35 3.866 3.866 4.005 261 H ASP 36 HN ASP 36 -0.552 3.902 8.376 262 HA ASP 36 HA ASP 36 0.024 4.242 11.284 263 HB2 ASP 36 HB2 ASP 36 -2.645 3.814 9.901 264 HB3 ASP 36 HB3 ASP 36 -2.411 3.937 11.620 265 H GLU 37 HN GLU 37 -0.558 2.535 12.618 266 HA GLU 37 HA GLU 37 0.412 0.029 12.142 267 HB2 GLU 37 HB2 GLU 37 -0.222 0.915 14.372 268 HB3 GLU 37 HB3 GLU 37 -1.925 0.789 13.942 269 HG2 GLU 37 HG2 GLU 37 -1.363 -1.789 13.596 270 HG3 GLU 37 HG3 GLU 37 0.063 -1.421 14.560 271 H ARG 38 HN ARG 38 -2.975 1.038 11.785 272 HA ARG 38 HA ARG 38 -4.068 -1.485 11.164 273 HB2 ARG 38 HB2 ARG 38 -5.054 1.216 10.122 274 HB3 ARG 38 HB3 ARG 38 -5.973 -0.299 10.207 275 HG2 ARG 38 HG2 ARG 38 -5.369 -0.234 12.751 276 HG3 ARG 38 HG3 ARG 38 -5.014 1.480 12.463 277 HD2 ARG 38 HD2 ARG 38 -7.266 1.878 11.671 278 HD3 ARG 38 HD3 ARG 38 -7.637 0.143 11.685 279 HE ARG 38 HE ARG 38 -6.968 0.489 14.232 280 HH11 ARG 38 HH11 ARG 38 -9.167 2.410 12.242 281 HH12 ARG 38 HH12 ARG 38 -10.505 2.335 13.338 282 HH21 ARG 38 HH21 ARG 38 -8.500 0.865 15.931 283 HH22 ARG 38 HH22 ARG 38 -10.090 1.424 15.506 284 H ALA 39 HN ALA 39 -2.350 0.748 9.086 285 HA ALA 39 HA ALA 39 -3.269 -0.592 6.634 286 HB1 ALA 39 HB1 ALA 39 -1.006 1.415 6.972 287 HB2 ALA 39 HB2 ALA 39 -1.828 0.918 5.475 288 HB3 ALA 39 HB3 ALA 39 -2.710 1.856 6.688 289 H ILE 40 HN ILE 40 -0.544 -0.799 8.956 290 HA ILE 40 HA ILE 40 1.029 -2.559 7.239 291 HB ILE 40 HB ILE 40 1.181 -2.507 10.263 292 HG12 ILE 40 HG12 ILE 40 1.307 -0.195 9.845 293 HG13 ILE 40 HG13 ILE 40 2.947 -0.764 10.053 294 HG21 ILE 40 HG21 ILE 40 3.595 -3.009 9.783 295 HG22 ILE 40 HG22 ILE 40 2.493 -4.245 9.128 296 HG23 ILE 40 HG23 ILE 40 3.218 -3.044 8.056 297 HD11 ILE 40 HD11 ILE 40 2.962 0.815 8.279 298 HD12 ILE 40 HD12 ILE 40 3.194 -0.782 7.529 299 HD13 ILE 40 HD13 ILE 40 1.619 0.033 7.444 300 H GLU 41 HN GLU 41 -1.380 -3.046 9.854 301 HA GLU 41 HA GLU 41 -1.253 -5.915 9.788 302 HB2 GLU 41 HB2 GLU 41 -2.220 -4.847 11.693 303 HB3 GLU 41 HB3 GLU 41 -3.425 -3.994 10.716 304 HG2 GLU 41 HG2 GLU 41 -4.753 -5.864 10.439 305 HG3 GLU 41 HG3 GLU 41 -3.390 -6.989 10.489 306 H ALA 42 HN ALA 42 -3.615 -3.639 8.303 307 HA ALA 42 HA ALA 42 -5.134 -5.498 6.960 308 HB1 ALA 42 HB1 ALA 42 -4.431 -2.657 6.118 309 HB2 ALA 42 HB2 ALA 42 -5.768 -3.613 5.442 310 HB3 ALA 42 HB3 ALA 42 -5.783 -3.155 7.159 311 H LEU 43 HN LEU 43 -2.091 -4.005 5.812 312 HA LEU 43 HA LEU 43 -1.938 -4.958 3.198 313 HB2 LEU 43 HB2 LEU 43 0.013 -4.352 5.380 314 HB3 LEU 43 HB3 LEU 43 0.628 -5.357 4.114 315 HG LEU 43 HG LEU 43 -0.502 -2.568 3.765 316 HD11 LEU 43 HD11 LEU 43 1.795 -1.961 3.458 317 HD12 LEU 43 HD12 LEU 43 2.323 -3.646 3.392 318 HD13 LEU 43 HD13 LEU 43 1.744 -2.936 4.909 319 HD21 LEU 43 HD21 LEU 43 0.489 -2.743 1.426 320 HD22 LEU 43 HD22 LEU 43 -1.021 -3.597 1.651 321 HD23 LEU 43 HD23 LEU 43 0.509 -4.505 1.648 322 H LYS 44 HN LYS 44 -0.993 -6.765 6.192 323 HA LYS 44 HA LYS 44 -0.241 -9.147 4.702 324 HB2 LYS 44 HB2 LYS 44 -0.491 -8.383 7.601 325 HB3 LYS 44 HB3 LYS 44 -0.831 -10.054 7.208 326 HG2 LYS 44 HG2 LYS 44 1.390 -10.309 7.498 327 HG3 LYS 44 HG3 LYS 44 1.396 -9.938 5.791 328 HD2 LYS 44 HD2 LYS 44 3.029 -8.539 6.506 329 HD3 LYS 44 HD3 LYS 44 1.739 -7.412 6.633 330 HE2 LYS 44 HE2 LYS 44 1.456 -7.859 9.040 331 HE3 LYS 44 HE3 LYS 44 2.618 -9.197 8.949 332 HZ1 LYS 44 HZ1 LYS 44 3.364 -6.382 8.475 333 HZ2 LYS 44 HZ2 LYS 44 4.362 -7.704 8.555 334 HZ3 LYS 44 HZ3 LYS 44 3.589 -7.229 9.886 335 H GLU 45 HN GLU 45 -3.304 -7.892 5.935 336 HA GLU 45 HA GLU 45 -4.630 -10.461 5.988 337 HB2 GLU 45 HB2 GLU 45 -5.788 -7.661 5.968 338 HB3 GLU 45 HB3 GLU 45 -6.669 -9.125 6.335 339 HG2 GLU 45 HG2 GLU 45 -5.179 -9.525 8.288 340 HG3 GLU 45 HG3 GLU 45 -4.406 -7.983 7.995 341 H PHE 46 HN PHE 46 -3.755 -8.389 3.413 342 HA PHE 46 HA PHE 46 -5.979 -9.146 1.640 343 HB2 PHE 46 HB2 PHE 46 -3.610 -7.294 1.381 344 HB3 PHE 46 HB3 PHE 46 -4.454 -7.877 -0.039 345 HD1 PHE 46 HD2 PHE 46 -6.993 -7.544 -0.265 346 HD2 PHE 46 HD1 PHE 46 -4.560 -5.495 2.632 347 HE1 PHE 46 HE2 PHE 46 -8.706 -5.773 -0.075 348 HE2 PHE 46 HE1 PHE 46 -6.313 -3.821 2.941 349 HZ PHE 46 HZ PHE 46 -8.351 -3.873 1.511 350 H ASN 47 HN ASN 47 -5.908 -10.500 0.179 351 HA ASN 47 HA ASN 47 -3.787 -12.369 -0.488 352 HB2 ASN 47 HB2 ASN 47 -5.194 -12.863 -2.480 353 HB3 ASN 47 HB3 ASN 47 -6.069 -13.001 -1.001 354 HD21 ASN 47 HD21 ASN 47 -6.709 -12.134 -4.071 355 HD22 ASN 47 HD22 ASN 47 -7.765 -10.784 -3.764 356 H GLU 48 HN GLU 48 -2.927 -12.446 -2.667 357 HA GLU 48 HA GLU 48 -1.310 -10.327 -3.223 358 HB2 GLU 48 HB2 GLU 48 -1.202 -12.836 -3.862 359 HB3 GLU 48 HB3 GLU 48 -2.260 -12.424 -5.217 360 HG2 GLU 48 HG2 GLU 48 -0.505 -10.494 -5.606 361 HG3 GLU 48 HG3 GLU 48 0.499 -11.479 -4.527 362 H ASP 49 HN ASP 49 -4.152 -11.373 -5.181 363 HA ASP 49 HA ASP 49 -4.122 -9.182 -6.970 364 HB2 ASP 49 HB2 ASP 49 -5.494 -11.374 -7.100 365 HB3 ASP 49 HB3 ASP 49 -6.660 -10.533 -6.070 366 H GLY 50 HN GLY 50 -5.442 -9.481 -3.742 367 HA2 GLY 50 HA1 GLY 50 -7.086 -7.128 -3.594 368 HA3 GLY 50 HA2 GLY 50 -6.275 -7.976 -2.260 369 H ALA 51 HN ALA 51 -3.780 -7.739 -2.347 370 HA ALA 51 HA ALA 51 -3.169 -5.055 -1.813 371 HB1 ALA 51 HB1 ALA 51 -0.855 -5.802 -1.633 372 HB2 ALA 51 HB2 ALA 51 -1.942 -7.007 -0.911 373 HB3 ALA 51 HB3 ALA 51 -1.249 -7.299 -2.520 374 H LEU 52 HN LEU 52 -2.508 -6.868 -4.818 375 HA LEU 52 HA LEU 52 -1.050 -4.838 -6.160 376 HB2 LEU 52 HB2 LEU 52 -2.935 -6.985 -7.238 377 HB3 LEU 52 HB3 LEU 52 -1.936 -5.984 -8.279 378 HG LEU 52 HG LEU 52 -0.774 -7.801 -6.126 379 HD11 LEU 52 HD11 LEU 52 -1.082 -8.316 -9.110 380 HD12 LEU 52 HD12 LEU 52 -1.974 -9.141 -7.810 381 HD13 LEU 52 HD13 LEU 52 -0.226 -9.350 -7.942 382 HD21 LEU 52 HD21 LEU 52 0.746 -5.998 -6.763 383 HD22 LEU 52 HD22 LEU 52 0.499 -6.379 -8.485 384 HD23 LEU 52 HD23 LEU 52 1.311 -7.544 -7.411 385 H ALA 53 HN ALA 53 -4.599 -5.360 -5.995 386 HA ALA 53 HA ALA 53 -5.160 -3.088 -7.688 387 HB1 ALA 53 HB1 ALA 53 -7.424 -3.589 -7.197 388 HB2 ALA 53 HB2 ALA 53 -6.599 -5.136 -7.315 389 HB3 ALA 53 HB3 ALA 53 -7.000 -4.482 -5.706 390 H VAL 54 HN VAL 54 -5.038 -3.608 -4.160 391 HA VAL 54 HA VAL 54 -5.856 -1.053 -3.232 392 HB VAL 54 HB VAL 54 -3.824 -2.998 -2.051 393 HG11 VAL 54 HG11 VAL 54 -3.453 -0.869 -0.987 394 HG12 VAL 54 HG12 VAL 54 -5.187 -0.796 -0.559 395 HG13 VAL 54 HG13 VAL 54 -4.130 -2.066 0.097 396 HG21 VAL 54 HG21 VAL 54 -6.683 -2.507 -1.096 397 HG22 VAL 54 HG22 VAL 54 -6.371 -3.694 -2.344 398 HG23 VAL 54 HG23 VAL 54 -5.621 -3.893 -0.755 399 H LEU 55 HN LEU 55 -2.946 -2.044 -4.805 400 HA LEU 55 HA LEU 55 -1.375 0.287 -3.983 401 HB2 LEU 55 HB2 LEU 55 -0.915 -2.057 -5.904 402 HB3 LEU 55 HB3 LEU 55 0.104 -0.643 -5.970 403 HG LEU 55 HG LEU 55 -0.177 -2.548 -3.615 404 HD11 LEU 55 HD11 LEU 55 1.134 -3.282 -5.598 405 HD12 LEU 55 HD12 LEU 55 2.174 -3.042 -4.203 406 HD13 LEU 55 HD13 LEU 55 2.139 -1.817 -5.481 407 HD21 LEU 55 HD21 LEU 55 0.934 0.247 -3.895 408 HD22 LEU 55 HD22 LEU 55 1.861 -0.882 -2.928 409 HD23 LEU 55 HD23 LEU 55 0.176 -0.525 -2.500 410 H GLN 56 HN GLN 56 -2.835 -1.012 -7.023 411 HA GLN 56 HA GLN 56 -2.055 1.173 -8.593 412 HB2 GLN 56 HB2 GLN 56 -2.991 -1.008 -9.413 413 HB3 GLN 56 HB3 GLN 56 -4.606 -0.463 -8.960 414 HG2 GLN 56 HG2 GLN 56 -4.476 1.410 -10.534 415 HG3 GLN 56 HG3 GLN 56 -2.764 1.091 -10.840 416 HE21 GLN 56 HE21 GLN 56 -6.027 -0.096 -11.357 417 HE22 GLN 56 HE22 GLN 56 -5.557 -1.409 -12.463 418 H GLN 57 HN GLN 57 -5.137 0.693 -6.760 419 HA GLN 57 HA GLN 57 -6.181 3.187 -7.816 420 HB2 GLN 57 HB2 GLN 57 -7.221 0.970 -6.531 421 HB3 GLN 57 HB3 GLN 57 -7.464 2.233 -5.318 422 HG2 GLN 57 HG2 GLN 57 -8.690 3.590 -6.955 423 HG3 GLN 57 HG3 GLN 57 -8.217 2.475 -8.245 424 HE21 GLN 57 HE21 GLN 57 -10.087 2.694 -5.202 425 HE22 GLN 57 HE22 GLN 57 -11.135 1.307 -5.517 426 H PHE 58 HN PHE 58 -3.951 2.662 -5.558 427 HA PHE 58 HA PHE 58 -4.418 5.121 -3.927 428 HB2 PHE 58 HB2 PHE 58 -3.852 3.130 -2.686 429 HB3 PHE 58 HB3 PHE 58 -2.457 2.809 -3.693 430 HD1 PHE 58 HD2 PHE 58 -3.871 5.235 -1.266 431 HD2 PHE 58 HD1 PHE 58 -0.352 3.794 -3.287 432 HE1 PHE 58 HE2 PHE 58 -2.453 6.797 0.082 433 HE2 PHE 58 HE1 PHE 58 1.034 5.275 -1.947 434 HZ PHE 58 HZ PHE 58 0.001 6.848 -0.296 435 H LYS 59 HN LYS 59 -1.762 3.578 -5.814 436 HA LYS 59 HA LYS 59 -0.130 5.908 -6.024 437 HB2 LYS 59 HB2 LYS 59 -0.284 3.186 -7.226 438 HB3 LYS 59 HB3 LYS 59 0.462 4.358 -8.266 439 HG2 LYS 59 HG2 LYS 59 1.459 4.236 -5.416 440 HG3 LYS 59 HG3 LYS 59 1.727 2.845 -6.463 441 HD2 LYS 59 HD2 LYS 59 3.674 4.032 -6.890 442 HD3 LYS 59 HD3 LYS 59 2.653 4.519 -8.210 443 HE2 LYS 59 HE2 LYS 59 1.991 6.519 -6.578 444 HE3 LYS 59 HE3 LYS 59 3.475 6.094 -5.725 445 HZ1 LYS 59 HZ1 LYS 59 3.272 6.631 -8.623 446 HZ2 LYS 59 HZ2 LYS 59 4.690 6.449 -7.776 447 HZ3 LYS 59 HZ3 LYS 59 3.694 7.777 -7.553 448 H ASP 60 HN ASP 60 -2.836 4.744 -8.019 449 HA ASP 60 HA ASP 60 -2.723 6.948 -9.930 450 HB2 ASP 60 HB2 ASP 60 -4.806 4.792 -9.314 451 HB3 ASP 60 HB3 ASP 60 -5.096 6.101 -10.422 452 H SER 61 HN SER 61 -2.479 8.178 -7.542 453 HA SER 61 HA SER 61 -4.716 9.970 -7.699 454 HB2 SER 61 HB2 SER 61 -4.276 8.452 -5.090 455 HB3 SER 61 HB3 SER 61 -5.088 10.027 -5.176 456 HG SER 61 HG SER 61 -5.842 7.957 -6.897 457 H ASP 62 HN ASP 62 -4.290 11.849 -6.017 458 HA ASP 62 HA ASP 62 -1.513 12.652 -6.659 459 HB2 ASP 62 HB2 ASP 62 -3.279 13.679 -7.981 460 HB3 ASP 62 HB3 ASP 62 -4.078 14.270 -6.509 461 H LEU 63 HN LEU 63 -0.442 12.360 -4.843 462 HA LEU 63 HA LEU 63 -1.835 12.519 -2.256 463 HB2 LEU 63 HB2 LEU 63 0.899 11.474 -3.043 464 HB3 LEU 63 HB3 LEU 63 0.257 11.409 -1.406 465 HG LEU 63 HG LEU 63 -1.112 10.086 -3.793 466 HD11 LEU 63 HD11 LEU 63 1.105 9.123 -3.360 467 HD12 LEU 63 HD12 LEU 63 -0.219 7.997 -2.955 468 HD13 LEU 63 HD13 LEU 63 0.667 8.845 -1.661 469 HD21 LEU 63 HD21 LEU 63 -1.570 9.827 -0.782 470 HD22 LEU 63 HD22 LEU 63 -2.301 8.783 -2.024 471 HD23 LEU 63 HD23 LEU 63 -2.700 10.491 -1.986 472 H SER 64 HN SER 64 0.000 14.724 -4.029 473 HA SER 64 HA SER 64 1.832 15.858 -2.347 474 HB2 SER 64 HB2 SER 64 0.148 16.798 -4.587 475 HB3 SER 64 HB3 SER 64 0.577 18.092 -3.459 476 HG SER 64 HG SER 64 2.426 16.270 -4.644 477 H HIS 65 HN HIS 65 -1.658 16.817 -2.340 478 HA HIS 65 HA HIS 65 -1.179 18.256 0.206 479 HB2 HIS 65 HB2 HIS 65 -3.625 18.324 -1.575 480 HB3 HIS 65 HB3 HIS 65 -3.167 19.451 -0.296 481 HD1 HIS 65 HD1 HIS 65 -3.453 19.714 -3.746 482 HD2 HIS 65 HD2 HIS 65 -0.130 20.090 -1.166 483 HE1 HIS 65 HE1 HIS 65 -1.770 21.134 -4.967 484 H VAL 66 HN VAL 66 -1.798 15.154 -0.305 485 HA VAL 66 HA VAL 66 -4.233 14.791 1.273 486 HB VAL 66 HB VAL 66 -2.113 12.908 0.184 487 HG11 VAL 66 HG11 VAL 66 -4.563 12.185 1.831 488 HG12 VAL 66 HG12 VAL 66 -3.477 11.054 0.971 489 HG13 VAL 66 HG13 VAL 66 -2.871 12.002 2.329 490 HG21 VAL 66 HG21 VAL 66 -5.082 13.315 -0.428 491 HG22 VAL 66 HG22 VAL 66 -3.745 13.874 -1.440 492 HG23 VAL 66 HG23 VAL 66 -4.015 12.142 -1.220 493 H GLN 67 HN GLN 67 -4.073 15.649 3.219 494 HA GLN 67 HA GLN 67 -1.746 15.945 4.687 495 HB2 GLN 67 HB2 GLN 67 -3.148 16.702 6.492 496 HB3 GLN 67 HB3 GLN 67 -3.794 17.299 4.972 497 HG2 GLN 67 HG2 GLN 67 -4.885 15.043 6.705 498 HG3 GLN 67 HG3 GLN 67 -5.556 16.657 6.522 499 HE21 GLN 67 HE21 GLN 67 -6.771 13.936 6.000 500 HE22 GLN 67 HE22 GLN 67 -7.318 14.001 4.344 501 H ASN 68 HN ASN 68 -3.799 13.158 4.529 502 HA ASN 68 HA ASN 68 -2.020 11.779 6.495 503 HB2 ASN 68 HB2 ASN 68 -5.028 11.559 6.282 504 HB3 ASN 68 HB3 ASN 68 -4.006 10.321 7.047 505 HD21 ASN 68 HD21 ASN 68 -6.104 12.285 8.092 506 HD22 ASN 68 HD22 ASN 68 -5.269 12.891 9.501 507 H LYS 69 HN LYS 69 -0.788 10.903 4.983 508 HA LYS 69 HA LYS 69 -1.566 9.573 2.572 509 HB2 LYS 69 HB2 LYS 69 0.767 8.988 4.482 510 HB3 LYS 69 HB3 LYS 69 0.660 8.506 2.795 511 HG2 LYS 69 HG2 LYS 69 0.823 11.405 3.778 512 HG3 LYS 69 HG3 LYS 69 2.134 10.443 3.110 513 HD2 LYS 69 HD2 LYS 69 0.724 10.141 1.047 514 HD3 LYS 69 HD3 LYS 69 -0.392 11.366 1.655 515 HE2 LYS 69 HE2 LYS 69 2.575 11.988 1.593 516 HE3 LYS 69 HE3 LYS 69 1.675 12.051 0.080 517 HZ1 LYS 69 HZ1 LYS 69 1.847 14.080 1.860 518 HZ2 LYS 69 HZ2 LYS 69 0.357 13.514 2.168 519 HZ3 LYS 69 HZ3 LYS 69 0.757 13.940 0.639 520 H SER 70 HN SER 70 -1.533 8.611 5.909 521 HA SER 70 HA SER 70 -2.026 5.805 5.599 522 HB2 SER 70 HB2 SER 70 -2.824 7.532 7.974 523 HB3 SER 70 HB3 SER 70 -2.529 5.776 7.933 524 HG SER 70 HG SER 70 -0.760 6.908 8.744 525 H ALA 71 HN ALA 71 -4.284 8.529 6.491 526 HA ALA 71 HA ALA 71 -6.590 6.967 6.496 527 HB1 ALA 71 HB1 ALA 71 -6.417 9.875 5.613 528 HB2 ALA 71 HB2 ALA 71 -7.854 9.038 6.224 529 HB3 ALA 71 HB3 ALA 71 -6.484 9.327 7.311 530 H PHE 72 HN PHE 72 -4.874 8.409 3.799 531 HA PHE 72 HA PHE 72 -6.957 7.952 1.844 532 HB2 PHE 72 HB2 PHE 72 -4.847 9.466 1.767 533 HB3 PHE 72 HB3 PHE 72 -3.992 8.047 1.204 534 HD1 PHE 72 HD1 PHE 72 -5.236 6.790 -0.876 535 HD2 PHE 72 HD2 PHE 72 -5.844 10.908 0.236 536 HE1 PHE 72 HE1 PHE 72 -6.017 7.301 -3.173 537 HE2 PHE 72 HE2 PHE 72 -6.648 11.406 -2.042 538 HZ PHE 72 HZ PHE 72 -6.779 9.595 -3.738 539 H LEU 73 HN LEU 73 -4.081 6.141 2.861 540 HA LEU 73 HA LEU 73 -4.291 4.080 0.852 541 HB2 LEU 73 HB2 LEU 73 -2.171 4.786 1.970 542 HB3 LEU 73 HB3 LEU 73 -2.768 4.162 3.503 543 HG LEU 73 HG LEU 73 -2.953 1.871 2.288 544 HD11 LEU 73 HD11 LEU 73 -0.974 3.230 0.395 545 HD12 LEU 73 HD12 LEU 73 -2.658 2.920 -0.013 546 HD13 LEU 73 HD13 LEU 73 -1.601 1.559 0.310 547 HD21 LEU 73 HD21 LEU 73 -0.617 1.341 2.702 548 HD22 LEU 73 HD22 LEU 73 -1.191 2.458 3.968 549 HD23 LEU 73 HD23 LEU 73 -0.175 3.051 2.640 550 H CYS 74 HN CYS 74 -4.806 4.046 4.380 551 HA CYS 74 HA CYS 74 -5.761 1.376 4.465 552 HB2 CYS 74 HB2 CYS 74 -4.920 3.136 6.351 553 HB3 CYS 74 HB3 CYS 74 -6.678 3.366 6.504 554 HG CYS 74 HG CYS 74 -6.277 1.760 8.318 555 H GLY 75 HN GLY 75 -7.347 4.416 3.622 556 HA2 GLY 75 HA1 GLY 75 -10.057 3.527 4.051 557 HA3 GLY 75 HA2 GLY 75 -9.521 4.937 3.133 558 H VAL 76 HN VAL 76 -7.964 3.868 1.083 559 HA VAL 76 HA VAL 76 -9.739 2.681 -0.760 560 HB VAL 76 HB VAL 76 -6.719 2.881 -0.568 561 HG11 VAL 76 HG11 VAL 76 -6.970 0.905 -1.932 562 HG12 VAL 76 HG12 VAL 76 -8.256 1.691 -2.892 563 HG13 VAL 76 HG13 VAL 76 -6.576 2.260 -2.986 564 HG21 VAL 76 HG21 VAL 76 -8.007 4.970 -0.976 565 HG22 VAL 76 HG22 VAL 76 -6.976 4.541 -2.348 566 HG23 VAL 76 HG23 VAL 76 -8.722 4.232 -2.415 567 H MET 77 HN MET 77 -7.297 1.091 1.391 568 HA MET 77 HA MET 77 -7.799 -1.603 0.752 569 HB2 MET 77 HB2 MET 77 -7.251 -0.222 3.396 570 HB3 MET 77 HB3 MET 77 -7.394 -1.962 3.281 571 HG2 MET 77 HG2 MET 77 -5.480 -2.080 1.835 572 HG3 MET 77 HG3 MET 77 -5.465 -0.335 1.624 573 HE1 MET 77 HE1 MET 77 -2.915 -0.382 2.118 574 HE2 MET 77 HE2 MET 77 -2.174 -0.968 3.627 575 HE3 MET 77 HE3 MET 77 -2.889 -2.127 2.478 576 H LYS 78 HN LYS 78 -9.594 0.487 3.084 577 HA LYS 78 HA LYS 78 -11.260 -1.530 4.038 578 HB2 LYS 78 HB2 LYS 78 -10.843 1.093 4.701 579 HB3 LYS 78 HB3 LYS 78 -12.362 1.266 3.830 580 HG2 LYS 78 HG2 LYS 78 -12.886 0.941 6.148 581 HG3 LYS 78 HG3 LYS 78 -13.300 -0.552 5.299 582 HD2 LYS 78 HD2 LYS 78 -10.650 -0.998 6.054 583 HD3 LYS 78 HD3 LYS 78 -11.248 -0.029 7.394 584 HE2 LYS 78 HE2 LYS 78 -12.808 -1.659 8.038 585 HE3 LYS 78 HE3 LYS 78 -12.909 -2.352 6.427 586 HZ1 LYS 78 HZ1 LYS 78 -10.697 -3.288 6.709 587 HZ2 LYS 78 HZ2 LYS 78 -11.706 -3.823 7.884 588 HZ3 LYS 78 HZ3 LYS 78 -10.585 -2.686 8.224 589 H THR 79 HN THR 79 -11.948 0.785 1.308 590 HA THR 79 HA THR 79 -14.431 -0.398 0.646 591 HB THR 79 HB THR 79 -12.820 0.548 -1.642 592 HG1 THR 79 HG1 THR 79 -12.304 2.424 -1.081 593 HG21 THR 79 HG21 THR 79 -15.341 1.625 -0.377 594 HG22 THR 79 HG22 THR 79 -15.278 0.388 -1.658 595 HG23 THR 79 HG23 THR 79 -14.709 2.033 -1.993 596 H TYR 80 HN TYR 80 -11.090 -1.153 -0.555 597 HA TYR 80 HA TYR 80 -11.806 -2.924 -2.572 598 HB2 TYR 80 HB2 TYR 80 -9.366 -2.495 -0.885 599 HB3 TYR 80 HB3 TYR 80 -9.494 -4.093 -1.595 600 HD1 TYR 80 HD1 TYR 80 -10.240 -4.230 -4.082 601 HD2 TYR 80 HD2 TYR 80 -8.342 -0.842 -2.241 602 HE1 TYR 80 HE1 TYR 80 -9.590 -3.430 -6.292 603 HE2 TYR 80 HE2 TYR 80 -7.677 0.006 -4.486 604 HH TYR 80 HH TYR 80 -8.828 -1.598 -7.479 605 H ARG 81 HN ARG 81 -11.120 -3.748 0.819 606 HA ARG 81 HA ARG 81 -11.613 -6.565 0.464 607 HB2 ARG 81 HB2 ARG 81 -10.232 -5.265 2.259 608 HB3 ARG 81 HB3 ARG 81 -11.767 -4.972 3.037 609 HG2 ARG 81 HG2 ARG 81 -11.907 -7.699 2.800 610 HG3 ARG 81 HG3 ARG 81 -10.158 -7.496 2.720 611 HD2 ARG 81 HD2 ARG 81 -10.790 -7.854 5.042 612 HD3 ARG 81 HD3 ARG 81 -10.267 -6.176 4.861 613 HE ARG 81 HE ARG 81 -12.437 -5.408 5.212 614 HH11 ARG 81 HH11 ARG 81 -12.589 -8.913 4.711 615 HH12 ARG 81 HH12 ARG 81 -14.206 -9.067 5.302 616 HH21 ARG 81 HH21 ARG 81 -14.446 -5.622 6.196 617 HH22 ARG 81 HH22 ARG 81 -15.364 -7.084 6.081 618 H GLN 82 HN GLN 82 -13.836 -3.938 0.539 619 HA GLN 82 HA GLN 82 -16.107 -5.746 1.035 620 HB2 GLN 82 HB2 GLN 82 -15.328 -3.166 2.399 621 HB3 GLN 82 HB3 GLN 82 -17.006 -3.443 2.042 622 HG2 GLN 82 HG2 GLN 82 -15.302 -5.453 3.537 623 HG3 GLN 82 HG3 GLN 82 -16.249 -4.218 4.341 624 HE21 GLN 82 HE21 GLN 82 -18.627 -4.267 4.149 625 HE22 GLN 82 HE22 GLN 82 -19.411 -5.789 3.885 626 H ARG 83 HN ARG 83 -15.633 -5.684 -1.337 627 HA ARG 83 HA ARG 83 -17.045 -3.441 -2.716 628 HB2 ARG 83 HB2 ARG 83 -15.365 -5.714 -3.744 629 HB3 ARG 83 HB3 ARG 83 -16.681 -5.092 -4.743 630 HG2 ARG 83 HG2 ARG 83 -15.579 -2.725 -4.089 631 HG3 ARG 83 HG3 ARG 83 -14.135 -3.736 -3.998 632 HD2 ARG 83 HD2 ARG 83 -16.105 -3.642 -6.343 633 HD3 ARG 83 HD3 ARG 83 -14.641 -2.681 -6.257 634 HE ARG 83 HE ARG 83 -13.345 -4.769 -6.143 635 HH11 ARG 83 HH11 ARG 83 -16.465 -4.884 -7.841 636 HH12 ARG 83 HH12 ARG 83 -15.787 -5.538 -9.303 637 HH21 ARG 83 HH21 ARG 83 -12.560 -5.999 -7.893 638 HH22 ARG 83 HH22 ARG 83 -13.567 -6.339 -9.251 639 H GLU 84 HN GLU 84 -18.540 -4.252 -0.897 640 HA GLU 84 HA GLU 84 -20.765 -5.566 -2.336 641 HB2 GLU 84 HB2 GLU 84 -22.023 -5.522 -0.296 642 HB3 GLU 84 HB3 GLU 84 -20.515 -6.402 -0.055 643 HG2 GLU 84 HG2 GLU 84 -19.551 -4.427 1.107 644 HG3 GLU 84 HG3 GLU 84 -21.059 -3.537 0.848 645 H LYS 85 HN LYS 85 -22.808 -3.932 -1.501 646 HA LYS 85 HA LYS 85 -22.160 -1.229 -2.485 647 HB2 LYS 85 HB2 LYS 85 -23.918 -3.372 -3.713 648 HB3 LYS 85 HB3 LYS 85 -24.277 -1.690 -3.993 649 HG2 LYS 85 HG2 LYS 85 -21.556 -2.855 -4.630 650 HG3 LYS 85 HG3 LYS 85 -22.934 -2.868 -5.722 651 HD2 LYS 85 HD2 LYS 85 -21.655 -0.354 -4.612 652 HD3 LYS 85 HD3 LYS 85 -21.414 -1.017 -6.222 653 HE2 LYS 85 HE2 LYS 85 -23.910 0.228 -5.053 654 HE3 LYS 85 HE3 LYS 85 -22.991 0.745 -6.461 655 HZ1 LYS 85 HZ1 LYS 85 -24.726 -1.659 -6.279 656 HZ2 LYS 85 HZ2 LYS 85 -23.771 -1.341 -7.562 657 HZ3 LYS 85 HZ3 LYS 85 -24.978 -0.297 -7.171 Start of MODEL 4 1 H1 GLY 1 HN GLY 1 16.314 -2.038 -7.785 2 HA2 GLY 1 HA1 GLY 1 14.574 -0.273 -7.681 3 HA3 GLY 1 HA2 GLY 1 13.735 -1.328 -6.519 4 H SER 2 HN SER 2 13.905 0.097 -4.719 5 HA SER 2 HA SER 2 16.630 1.127 -4.086 6 HB2 SER 2 HB2 SER 2 14.501 2.555 -4.488 7 HB3 SER 2 HB3 SER 2 14.022 2.028 -2.901 8 HG SER 2 HG SER 2 15.427 4.046 -3.461 9 H GLU 3 HN GLU 3 16.604 1.614 -1.532 10 HA GLU 3 HA GLU 3 17.006 -0.957 -0.356 11 HB2 GLU 3 HB2 GLU 3 17.839 0.119 1.501 12 HB3 GLU 3 HB3 GLU 3 18.205 1.228 0.196 13 HG2 GLU 3 HG2 GLU 3 16.319 2.683 0.892 14 HG3 GLU 3 HG3 GLU 3 15.920 1.553 2.197 15 H ASN 4 HN ASN 4 14.137 1.015 -0.594 16 HA ASN 4 HA ASN 4 12.864 0.239 1.829 17 HB2 ASN 4 HB2 ASN 4 11.225 0.549 -0.692 18 HB3 ASN 4 HB3 ASN 4 10.813 0.964 0.946 19 HD21 ASN 4 HD21 ASN 4 12.248 1.978 -2.010 20 HD22 ASN 4 HD22 ASN 4 12.769 3.596 -1.513 21 H PHE 5 HN PHE 5 13.076 -1.277 -1.349 22 HA PHE 5 HA PHE 5 11.159 -3.225 -1.290 23 HB2 PHE 5 HB2 PHE 5 12.711 -2.783 -3.162 24 HB3 PHE 5 HB3 PHE 5 14.029 -3.504 -2.273 25 HD1 PHE 5 HD1 PHE 5 10.496 -4.399 -3.280 26 HD2 PHE 5 HD2 PHE 5 14.570 -5.739 -2.762 27 HE1 PHE 5 HE1 PHE 5 9.882 -6.681 -4.071 28 HE2 PHE 5 HE2 PHE 5 13.941 -7.973 -3.611 29 HZ PHE 5 HZ PHE 5 11.571 -8.419 -4.312 30 H GLN 6 HN GLN 6 14.446 -3.661 0.096 31 HA GLN 6 HA GLN 6 13.829 -6.337 0.956 32 HB2 GLN 6 HB2 GLN 6 16.143 -5.576 0.558 33 HB3 GLN 6 HB3 GLN 6 16.042 -4.500 1.961 34 HG2 GLN 6 HG2 GLN 6 17.214 -6.592 2.521 35 HG3 GLN 6 HG3 GLN 6 15.733 -6.460 3.451 36 HE21 GLN 6 HE21 GLN 6 14.030 -7.943 3.057 37 HE22 GLN 6 HE22 GLN 6 14.271 -9.419 2.147 38 H THR 7 HN THR 7 13.637 -3.178 2.690 39 HA THR 7 HA THR 7 12.976 -4.306 5.230 40 HB THR 7 HB THR 7 12.180 -1.565 4.175 41 HG1 THR 7 HG1 THR 7 14.280 -0.925 4.734 42 HG21 THR 7 HG21 THR 7 13.194 -2.519 6.894 43 HG22 THR 7 HG22 THR 7 11.511 -2.108 6.516 44 HG23 THR 7 HG23 THR 7 12.758 -0.848 6.476 45 H LEU 8 HN LEU 8 11.080 -3.483 2.360 46 HA LEU 8 HA LEU 8 8.457 -3.825 3.550 47 HB2 LEU 8 HB2 LEU 8 9.591 -3.811 0.751 48 HB3 LEU 8 HB3 LEU 8 7.971 -4.364 1.043 49 HG LEU 8 HG LEU 8 7.128 -2.288 1.495 50 HD11 LEU 8 HD11 LEU 8 8.717 -1.550 3.314 51 HD12 LEU 8 HD12 LEU 8 8.211 -0.279 2.203 52 HD13 LEU 8 HD13 LEU 8 9.818 -0.990 2.066 53 HD21 LEU 8 HD21 LEU 8 8.055 -0.741 -0.218 54 HD22 LEU 8 HD22 LEU 8 8.019 -2.418 -0.824 55 HD23 LEU 8 HD23 LEU 8 9.540 -1.689 -0.283 56 H LEU 9 HN LEU 9 10.746 -6.063 1.865 57 HA LEU 9 HA LEU 9 8.987 -8.326 1.900 58 HB2 LEU 9 HB2 LEU 9 11.965 -7.927 1.602 59 HB3 LEU 9 HB3 LEU 9 11.441 -9.502 2.127 60 HG LEU 9 HG LEU 9 11.717 -9.721 -0.147 61 HD11 LEU 9 HD11 LEU 9 9.516 -10.644 0.743 62 HD12 LEU 9 HD12 LEU 9 9.687 -10.443 -1.003 63 HD13 LEU 9 HD13 LEU 9 8.719 -9.275 -0.074 64 HD21 LEU 9 HD21 LEU 9 10.570 -8.246 -1.809 65 HD22 LEU 9 HD22 LEU 9 11.875 -7.487 -0.881 66 HD23 LEU 9 HD23 LEU 9 10.194 -7.134 -0.471 67 H ASP 10 HN ASP 10 10.799 -6.819 4.460 68 HA ASP 10 HA ASP 10 10.656 -9.191 6.220 69 HB2 ASP 10 HB2 ASP 10 12.467 -7.416 6.314 70 HB3 ASP 10 HB3 ASP 10 11.279 -6.341 7.055 71 H ALA 11 HN ALA 11 8.491 -6.659 5.280 72 HA ALA 11 HA ALA 11 7.560 -6.028 7.901 73 HB1 ALA 11 HB1 ALA 11 6.414 -5.218 5.201 74 HB2 ALA 11 HB2 ALA 11 6.092 -4.439 6.762 75 HB3 ALA 11 HB3 ALA 11 7.718 -4.386 6.069 76 H GLY 12 HN GLY 12 6.937 -8.742 6.218 77 HA2 GLY 12 HA1 GLY 12 5.267 -10.325 6.788 78 HA3 GLY 12 HA2 GLY 12 4.148 -9.046 7.174 79 H LEU 13 HN LEU 13 5.914 -8.375 4.276 80 HA LEU 13 HA LEU 13 3.414 -8.786 2.767 81 HB2 LEU 13 HB2 LEU 13 5.940 -7.266 2.034 82 HB3 LEU 13 HB3 LEU 13 4.442 -7.272 1.112 83 HG LEU 13 HG LEU 13 4.773 -6.152 3.934 84 HD11 LEU 13 HD11 LEU 13 4.552 -4.803 1.216 85 HD12 LEU 13 HD12 LEU 13 5.956 -4.805 2.300 86 HD13 LEU 13 HD13 LEU 13 4.484 -3.959 2.781 87 HD21 LEU 13 HD21 LEU 13 2.363 -6.014 2.069 88 HD22 LEU 13 HD22 LEU 13 2.539 -5.190 3.636 89 HD23 LEU 13 HD23 LEU 13 2.459 -6.944 3.587 90 HA PRO 14 HA PRO 14 5.440 -12.011 0.283 91 HB2 PRO 14 HB2 PRO 14 3.835 -11.918 -1.947 92 HB3 PRO 14 HB3 PRO 14 3.324 -12.706 -0.430 93 HG2 PRO 14 HG2 PRO 14 2.689 -9.973 -1.445 94 HG3 PRO 14 HG3 PRO 14 1.555 -11.154 -0.721 95 HD2 PRO 14 HD2 PRO 14 2.620 -9.074 0.700 96 HD3 PRO 14 HD3 PRO 14 2.329 -10.664 1.464 97 H GLN 15 HN GLN 15 6.486 -12.070 -1.980 98 HA GLN 15 HA GLN 15 8.129 -9.746 -2.378 99 HB2 GLN 15 HB2 GLN 15 9.025 -11.912 -2.935 100 HB3 GLN 15 HB3 GLN 15 7.627 -12.326 -3.928 101 HG2 GLN 15 HG2 GLN 15 8.231 -10.649 -5.609 102 HG3 GLN 15 HG3 GLN 15 9.570 -10.078 -4.615 103 HE21 GLN 15 HE21 GLN 15 11.490 -11.454 -4.453 104 HE22 GLN 15 HE22 GLN 15 11.710 -12.805 -5.546 105 H LYS 16 HN LYS 16 5.369 -11.254 -4.139 106 HA LYS 16 HA LYS 16 5.529 -9.572 -6.213 107 HB2 LYS 16 HB2 LYS 16 3.909 -11.678 -5.382 108 HB3 LYS 16 HB3 LYS 16 2.725 -10.401 -5.476 109 HG2 LYS 16 HG2 LYS 16 4.665 -11.097 -7.752 110 HG3 LYS 16 HG3 LYS 16 3.150 -11.922 -7.450 111 HD2 LYS 16 HD2 LYS 16 2.195 -10.438 -8.814 112 HD3 LYS 16 HD3 LYS 16 2.292 -9.332 -7.425 113 HE2 LYS 16 HE2 LYS 16 4.372 -8.382 -8.249 114 HE3 LYS 16 HE3 LYS 16 4.437 -9.597 -9.530 115 HZ1 LYS 16 HZ1 LYS 16 3.625 -7.586 -10.440 116 HZ2 LYS 16 HZ2 LYS 16 2.423 -7.435 -9.325 117 HZ3 LYS 16 HZ3 LYS 16 2.381 -8.634 -10.440 118 H VAL 17 HN VAL 17 4.027 -8.851 -3.158 119 HA VAL 17 HA VAL 17 2.660 -6.408 -4.048 120 HB VAL 17 HB VAL 17 3.069 -7.797 -1.366 121 HG11 VAL 17 HG11 VAL 17 2.859 -5.404 -0.892 122 HG12 VAL 17 HG12 VAL 17 1.350 -5.340 -1.840 123 HG13 VAL 17 HG13 VAL 17 1.436 -6.304 -0.359 124 HG21 VAL 17 HG21 VAL 17 0.578 -7.390 -3.097 125 HG22 VAL 17 HG22 VAL 17 1.478 -8.907 -2.972 126 HG23 VAL 17 HG23 VAL 17 0.647 -8.275 -1.551 127 H ALA 18 HN ALA 18 5.509 -7.328 -1.965 128 HA ALA 18 HA ALA 18 6.298 -4.727 -1.292 129 HB1 ALA 18 HB1 ALA 18 8.002 -7.215 -1.710 130 HB2 ALA 18 HB2 ALA 18 8.488 -5.746 -0.841 131 HB3 ALA 18 HB3 ALA 18 7.165 -6.749 -0.207 132 H GLU 19 HN GLU 19 7.141 -6.671 -4.154 133 HA GLU 19 HA GLU 19 9.080 -5.131 -5.430 134 HB2 GLU 19 HB2 GLU 19 6.860 -7.009 -6.223 135 HB3 GLU 19 HB3 GLU 19 7.360 -5.923 -7.463 136 HG2 GLU 19 HG2 GLU 19 9.746 -7.137 -6.296 137 HG3 GLU 19 HG3 GLU 19 8.587 -8.370 -6.755 138 H LYS 20 HN LYS 20 5.562 -4.652 -5.454 139 HA LYS 20 HA LYS 20 5.722 -2.365 -7.315 140 HB2 LYS 20 HB2 LYS 20 3.514 -3.952 -5.954 141 HB3 LYS 20 HB3 LYS 20 3.170 -2.394 -6.696 142 HG2 LYS 20 HG2 LYS 20 2.605 -4.264 -8.135 143 HG3 LYS 20 HG3 LYS 20 3.734 -3.161 -8.879 144 HD2 LYS 20 HD2 LYS 20 4.844 -5.652 -7.537 145 HD3 LYS 20 HD3 LYS 20 3.953 -5.796 -9.047 146 HE2 LYS 20 HE2 LYS 20 5.409 -3.893 -9.933 147 HE3 LYS 20 HE3 LYS 20 6.490 -4.187 -8.589 148 HZ1 LYS 20 HZ1 LYS 20 7.031 -5.314 -10.745 149 HZ2 LYS 20 HZ2 LYS 20 5.743 -6.280 -10.582 150 HZ3 LYS 20 HZ3 LYS 20 6.975 -6.373 -9.509 151 H LEU 21 HN LEU 21 5.402 -2.958 -3.812 152 HA LEU 21 HA LEU 21 4.543 -0.260 -3.206 153 HB2 LEU 21 HB2 LEU 21 5.328 -2.696 -1.712 154 HB3 LEU 21 HB3 LEU 21 6.005 -1.258 -0.990 155 HG LEU 21 HG LEU 21 3.338 -0.585 -1.598 156 HD11 LEU 21 HD11 LEU 21 2.086 -2.302 -0.262 157 HD12 LEU 21 HD12 LEU 21 3.590 -3.194 -0.018 158 HD13 LEU 21 HD13 LEU 21 2.895 -3.077 -1.646 159 HD21 LEU 21 HD21 LEU 21 4.154 0.529 0.001 160 HD22 LEU 21 HD22 LEU 21 4.830 -0.855 0.923 161 HD23 LEU 21 HD23 LEU 21 3.073 -0.525 0.900 162 H ASP 22 HN ASP 22 7.752 -1.744 -3.440 163 HA ASP 22 HA ASP 22 9.316 0.217 -2.275 164 HB2 ASP 22 HB2 ASP 22 10.288 -1.812 -2.969 165 HB3 ASP 22 HB3 ASP 22 9.806 -1.551 -4.640 166 H GLU 23 HN GLU 23 7.934 0.279 -5.593 167 HA GLU 23 HA GLU 23 9.253 2.383 -6.768 168 HB2 GLU 23 HB2 GLU 23 7.909 0.689 -7.877 169 HB3 GLU 23 HB3 GLU 23 6.548 1.023 -6.843 170 HG2 GLU 23 HG2 GLU 23 6.115 3.080 -7.776 171 HG3 GLU 23 HG3 GLU 23 7.655 3.135 -8.671 172 H ILE 24 HN ILE 24 6.560 2.327 -4.381 173 HA ILE 24 HA ILE 24 5.645 4.996 -5.051 174 HB ILE 24 HB ILE 24 4.959 3.272 -2.652 175 HG12 ILE 24 HG12 ILE 24 3.636 3.228 -5.424 176 HG13 ILE 24 HG13 ILE 24 4.696 1.958 -4.848 177 HG21 ILE 24 HG21 ILE 24 4.113 5.596 -2.618 178 HG22 ILE 24 HG22 ILE 24 3.182 5.247 -4.094 179 HG23 ILE 24 HG23 ILE 24 2.887 4.344 -2.574 180 HD11 ILE 24 HD11 ILE 24 3.121 1.492 -2.985 181 HD12 ILE 24 HD12 ILE 24 1.948 2.551 -3.816 182 HD13 ILE 24 HD13 ILE 24 2.588 1.108 -4.639 183 H TYR 25 HN TYR 25 8.174 3.627 -3.185 184 HA TYR 25 HA TYR 25 8.509 6.013 -1.494 185 HB2 TYR 25 HB2 TYR 25 9.896 3.344 -1.462 186 HB3 TYR 25 HB3 TYR 25 10.041 4.630 -0.259 187 HD1 TYR 25 HD2 TYR 25 7.649 5.499 0.601 188 HD2 TYR 25 HD1 TYR 25 8.273 1.651 -1.143 189 HE1 TYR 25 HE2 TYR 25 5.636 4.667 1.782 190 HE2 TYR 25 HE1 TYR 25 6.145 0.838 -0.165 191 HH TYR 25 HH TYR 25 4.049 2.925 1.807 192 H VAL 26 HN VAL 26 9.538 4.875 -4.518 193 HA VAL 26 HA VAL 26 12.198 6.060 -4.568 194 HB VAL 26 HB VAL 26 10.317 5.009 -6.710 195 HG11 VAL 26 HG11 VAL 26 12.097 4.880 -8.272 196 HG12 VAL 26 HG12 VAL 26 11.969 6.567 -7.748 197 HG13 VAL 26 HG13 VAL 26 13.256 5.517 -7.098 198 HG21 VAL 26 HG21 VAL 26 12.829 3.764 -5.509 199 HG22 VAL 26 HG22 VAL 26 11.190 3.262 -5.124 200 HG23 VAL 26 HG23 VAL 26 11.801 3.032 -6.759 201 H ALA 27 HN ALA 27 8.900 7.199 -5.294 202 HA ALA 27 HA ALA 27 9.832 9.156 -7.212 203 HB1 ALA 27 HB1 ALA 27 7.425 9.608 -7.479 204 HB2 ALA 27 HB2 ALA 27 7.737 7.866 -7.489 205 HB3 ALA 27 HB3 ALA 27 7.064 8.648 -6.029 206 H GLY 28 HN GLY 28 9.774 9.364 -3.865 207 HA2 GLY 28 HA1 GLY 28 9.728 11.148 -2.376 208 HA3 GLY 28 HA2 GLY 28 9.771 12.267 -3.742 209 H LEU 29 HN LEU 29 7.452 9.675 -3.486 210 HA LEU 29 HA LEU 29 5.048 11.304 -3.160 211 HB2 LEU 29 HB2 LEU 29 5.831 8.483 -3.861 212 HB3 LEU 29 HB3 LEU 29 4.415 8.532 -2.912 213 HG LEU 29 HG LEU 29 4.945 9.835 -5.617 214 HD11 LEU 29 HD11 LEU 29 4.514 7.394 -5.506 215 HD12 LEU 29 HD12 LEU 29 3.237 8.276 -6.398 216 HD13 LEU 29 HD13 LEU 29 2.942 7.718 -4.739 217 HD21 LEU 29 HD21 LEU 29 2.575 10.163 -3.762 218 HD22 LEU 29 HD22 LEU 29 2.406 10.385 -5.532 219 HD23 LEU 29 HD23 LEU 29 3.465 11.430 -4.598 220 H VAL 30 HN VAL 30 6.003 8.307 -1.551 221 HA VAL 30 HA VAL 30 6.019 9.736 1.097 222 HB VAL 30 HB VAL 30 5.041 7.537 1.973 223 HG11 VAL 30 HG11 VAL 30 3.805 9.663 1.784 224 HG12 VAL 30 HG12 VAL 30 3.318 9.240 0.132 225 HG13 VAL 30 HG13 VAL 30 2.767 8.245 1.495 226 HG21 VAL 30 HG21 VAL 30 3.806 6.125 0.528 227 HG22 VAL 30 HG22 VAL 30 4.039 7.176 -0.874 228 HG23 VAL 30 HG23 VAL 30 5.408 6.245 -0.225 229 H ALA 31 HN ALA 31 6.933 8.074 2.860 230 HA ALA 31 HA ALA 31 9.462 6.863 1.876 231 HB1 ALA 31 HB1 ALA 31 10.091 8.591 3.485 232 HB2 ALA 31 HB2 ALA 31 8.806 8.071 4.605 233 HB3 ALA 31 HB3 ALA 31 10.207 7.036 4.293 234 H HIS 32 HN HIS 32 9.914 4.805 2.877 235 HA HIS 32 HA HIS 32 7.893 2.944 2.910 236 HB2 HIS 32 HB2 HIS 32 9.667 1.539 4.107 237 HB3 HIS 32 HB3 HIS 32 10.130 2.311 2.608 238 HD1 HIS 32 HD1 HIS 32 12.212 3.881 2.660 239 HD2 HIS 32 HD2 HIS 32 10.559 2.982 6.441 240 HE1 HIS 32 HE1 HIS 32 13.518 5.270 4.397 241 H SER 33 HN SER 33 8.956 4.940 5.568 242 HA SER 33 HA SER 33 7.560 3.472 7.631 243 HB2 SER 33 HB2 SER 33 9.840 5.038 7.495 244 HB3 SER 33 HB3 SER 33 8.691 6.167 8.238 245 HG SER 33 HG SER 33 9.165 3.477 9.092 246 H ASP 34 HN ASP 34 6.095 5.455 5.321 247 HA ASP 34 HA ASP 34 4.798 7.375 6.929 248 HB2 ASP 34 HB2 ASP 34 3.744 7.964 4.999 249 HB3 ASP 34 HB3 ASP 34 5.182 7.242 4.359 250 H LEU 35 HN LEU 35 4.267 4.019 6.844 251 HA LEU 35 HA LEU 35 1.348 4.210 7.099 252 HB2 LEU 35 HB2 LEU 35 3.256 1.875 6.852 253 HB3 LEU 35 HB3 LEU 35 1.496 1.706 6.936 254 HG LEU 35 HG LEU 35 3.050 3.181 4.763 255 HD11 LEU 35 HD11 LEU 35 3.347 0.777 4.708 256 HD12 LEU 35 HD12 LEU 35 2.405 1.346 3.311 257 HD13 LEU 35 HD13 LEU 35 1.586 0.530 4.672 258 HD21 LEU 35 HD21 LEU 35 0.064 2.636 5.062 259 HD22 LEU 35 HD22 LEU 35 0.861 3.233 3.577 260 HD23 LEU 35 HD23 LEU 35 0.882 4.222 5.020 261 H ASP 36 HN ASP 36 0.147 3.732 8.887 262 HA ASP 36 HA ASP 36 1.393 3.515 11.500 263 HB2 ASP 36 HB2 ASP 36 -1.498 2.911 10.743 264 HB3 ASP 36 HB3 ASP 36 -0.861 3.174 12.347 265 H GLU 37 HN GLU 37 1.193 1.595 12.837 266 HA GLU 37 HA GLU 37 1.765 -0.842 11.538 267 HB2 GLU 37 HB2 GLU 37 2.334 -0.182 13.902 268 HB3 GLU 37 HB3 GLU 37 0.654 -0.538 14.356 269 HG2 GLU 37 HG2 GLU 37 0.949 -2.883 13.608 270 HG3 GLU 37 HG3 GLU 37 2.597 -2.525 13.081 271 H ARG 38 HN ARG 38 -1.316 0.498 12.594 272 HA ARG 38 HA ARG 38 -2.963 -1.795 12.189 273 HB2 ARG 38 HB2 ARG 38 -3.607 1.184 11.932 274 HB3 ARG 38 HB3 ARG 38 -4.810 -0.104 11.872 275 HG2 ARG 38 HG2 ARG 38 -3.558 -0.826 14.139 276 HG3 ARG 38 HG3 ARG 38 -3.218 0.907 14.208 277 HD2 ARG 38 HD2 ARG 38 -5.930 -0.444 13.948 278 HD3 ARG 38 HD3 ARG 38 -5.264 0.184 15.450 279 HE ARG 38 HE ARG 38 -5.232 2.442 14.058 280 HH11 ARG 38 HH11 ARG 38 -7.758 0.008 14.526 281 HH12 ARG 38 HH12 ARG 38 -9.035 0.977 13.861 282 HH21 ARG 38 HH21 ARG 38 -6.999 3.893 13.557 283 HH22 ARG 38 HH22 ARG 38 -8.625 3.339 13.705 284 H ALA 39 HN ALA 39 -1.474 0.351 9.861 285 HA ALA 39 HA ALA 39 -3.298 -0.471 7.704 286 HB1 ALA 39 HB1 ALA 39 -2.109 1.114 6.352 287 HB2 ALA 39 HB2 ALA 39 -2.394 1.888 7.909 288 HB3 ALA 39 HB3 ALA 39 -0.781 1.234 7.531 289 H ILE 40 HN ILE 40 0.021 -1.084 8.928 290 HA ILE 40 HA ILE 40 0.824 -2.889 6.847 291 HB ILE 40 HB ILE 40 1.602 -3.013 9.790 292 HG12 ILE 40 HG12 ILE 40 2.078 -0.770 9.134 293 HG13 ILE 40 HG13 ILE 40 3.571 -1.666 9.225 294 HG21 ILE 40 HG21 ILE 40 3.002 -4.049 7.289 295 HG22 ILE 40 HG22 ILE 40 3.721 -3.990 8.915 296 HG23 ILE 40 HG23 ILE 40 2.309 -4.992 8.619 297 HD11 ILE 40 HD11 ILE 40 3.643 -0.214 7.339 298 HD12 ILE 40 HD12 ILE 40 3.565 -1.869 6.714 299 HD13 ILE 40 HD13 ILE 40 2.110 -0.834 6.694 300 H GLU 41 HN GLU 41 -0.920 -3.400 9.938 301 HA GLU 41 HA GLU 41 -1.460 -6.145 9.723 302 HB2 GLU 41 HB2 GLU 41 -1.998 -5.179 11.742 303 HB3 GLU 41 HB3 GLU 41 -2.782 -3.782 11.034 304 HG2 GLU 41 HG2 GLU 41 -4.814 -4.900 10.670 305 HG3 GLU 41 HG3 GLU 41 -4.060 -6.491 10.694 306 H ALA 42 HN ALA 42 -3.521 -3.419 8.519 307 HA ALA 42 HA ALA 42 -5.453 -5.067 7.337 308 HB1 ALA 42 HB1 ALA 42 -4.546 -2.280 6.534 309 HB2 ALA 42 HB2 ALA 42 -6.059 -3.066 6.020 310 HB3 ALA 42 HB3 ALA 42 -5.791 -2.692 7.734 311 H LEU 43 HN LEU 43 -2.350 -3.958 5.939 312 HA LEU 43 HA LEU 43 -2.793 -4.813 3.269 313 HB2 LEU 43 HB2 LEU 43 -0.352 -4.311 4.962 314 HB3 LEU 43 HB3 LEU 43 -0.112 -5.268 3.519 315 HG LEU 43 HG LEU 43 -1.393 -2.522 3.503 316 HD11 LEU 43 HD11 LEU 43 0.998 -2.458 4.240 317 HD12 LEU 43 HD12 LEU 43 0.760 -1.682 2.666 318 HD13 LEU 43 HD13 LEU 43 1.462 -3.311 2.760 319 HD21 LEU 43 HD21 LEU 43 -0.334 -4.250 1.220 320 HD22 LEU 43 HD22 LEU 43 -0.897 -2.567 1.068 321 HD23 LEU 43 HD23 LEU 43 -2.022 -3.826 1.535 322 H LYS 44 HN LYS 44 -1.618 -6.711 6.076 323 HA LYS 44 HA LYS 44 -0.975 -9.046 4.588 324 HB2 LYS 44 HB2 LYS 44 -1.487 -8.472 7.476 325 HB3 LYS 44 HB3 LYS 44 -1.778 -10.121 6.962 326 HG2 LYS 44 HG2 LYS 44 0.436 -10.288 7.515 327 HG3 LYS 44 HG3 LYS 44 0.543 -10.001 5.797 328 HD2 LYS 44 HD2 LYS 44 2.149 -8.589 6.683 329 HD3 LYS 44 HD3 LYS 44 0.845 -7.499 6.385 330 HE2 LYS 44 HE2 LYS 44 1.741 -6.967 8.564 331 HE3 LYS 44 HE3 LYS 44 0.152 -7.700 8.818 332 HZ1 LYS 44 HZ1 LYS 44 2.809 -8.853 9.351 333 HZ2 LYS 44 HZ2 LYS 44 1.491 -9.837 9.227 334 HZ3 LYS 44 HZ3 LYS 44 1.575 -8.658 10.369 335 H GLU 45 HN GLU 45 -4.201 -7.804 5.429 336 HA GLU 45 HA GLU 45 -5.452 -10.428 5.443 337 HB2 GLU 45 HB2 GLU 45 -6.695 -7.697 5.342 338 HB3 GLU 45 HB3 GLU 45 -7.555 -9.229 5.526 339 HG2 GLU 45 HG2 GLU 45 -5.604 -7.952 7.463 340 HG3 GLU 45 HG3 GLU 45 -7.304 -8.355 7.669 341 H PHE 46 HN PHE 46 -4.349 -8.471 2.886 342 HA PHE 46 HA PHE 46 -6.379 -9.317 0.924 343 HB2 PHE 46 HB2 PHE 46 -4.056 -7.352 0.896 344 HB3 PHE 46 HB3 PHE 46 -4.862 -7.894 -0.563 345 HD1 PHE 46 HD2 PHE 46 -5.550 -6.149 2.704 346 HD2 PHE 46 HD1 PHE 46 -6.818 -6.848 -1.358 347 HE1 PHE 46 HE2 PHE 46 -7.361 -4.493 2.980 348 HE2 PHE 46 HE1 PHE 46 -8.578 -5.182 -1.095 349 HZ PHE 46 HZ PHE 46 -8.888 -3.972 1.047 350 H ASN 47 HN ASN 47 -5.971 -10.843 -0.470 351 HA ASN 47 HA ASN 47 -3.558 -12.461 -0.556 352 HB2 ASN 47 HB2 ASN 47 -4.566 -13.470 -2.573 353 HB3 ASN 47 HB3 ASN 47 -5.719 -13.399 -1.294 354 HD21 ASN 47 HD21 ASN 47 -5.442 -12.875 -4.634 355 HD22 ASN 47 HD22 ASN 47 -6.836 -11.815 -4.744 356 H GLU 48 HN GLU 48 -2.439 -12.738 -2.618 357 HA GLU 48 HA GLU 48 -0.890 -10.691 -3.387 358 HB2 GLU 48 HB2 GLU 48 -0.758 -13.228 -3.786 359 HB3 GLU 48 HB3 GLU 48 -1.782 -12.973 -5.205 360 HG2 GLU 48 HG2 GLU 48 -0.078 -11.236 -5.947 361 HG3 GLU 48 HG3 GLU 48 0.888 -11.749 -4.554 362 H ASP 49 HN ASP 49 -3.560 -11.873 -5.525 363 HA ASP 49 HA ASP 49 -3.382 -9.730 -7.348 364 HB2 ASP 49 HB2 ASP 49 -4.530 -11.986 -7.637 365 HB3 ASP 49 HB3 ASP 49 -5.890 -11.294 -6.751 366 H GLY 50 HN GLY 50 -5.334 -10.125 -4.387 367 HA2 GLY 50 HA1 GLY 50 -7.088 -7.935 -4.845 368 HA3 GLY 50 HA2 GLY 50 -6.743 -8.693 -3.277 369 H ALA 51 HN ALA 51 -4.030 -8.276 -3.064 370 HA ALA 51 HA ALA 51 -3.800 -5.611 -2.094 371 HB1 ALA 51 HB1 ALA 51 -1.718 -7.779 -2.622 372 HB2 ALA 51 HB2 ALA 51 -1.426 -6.284 -1.707 373 HB3 ALA 51 HB3 ALA 51 -2.568 -7.492 -1.096 374 H LEU 52 HN LEU 52 -2.436 -7.256 -5.019 375 HA LEU 52 HA LEU 52 -0.970 -5.034 -6.018 376 HB2 LEU 52 HB2 LEU 52 -2.484 -7.267 -7.427 377 HB3 LEU 52 HB3 LEU 52 -1.502 -6.101 -8.303 378 HG LEU 52 HG LEU 52 -0.328 -7.796 -6.073 379 HD11 LEU 52 HD11 LEU 52 0.221 -9.481 -7.583 380 HD12 LEU 52 HD12 LEU 52 -0.073 -8.448 -9.023 381 HD13 LEU 52 HD13 LEU 52 -1.401 -9.096 -8.055 382 HD21 LEU 52 HD21 LEU 52 0.974 -5.792 -6.655 383 HD22 LEU 52 HD22 LEU 52 0.923 -6.228 -8.363 384 HD23 LEU 52 HD23 LEU 52 1.813 -7.228 -7.192 385 H ALA 53 HN ALA 53 -4.413 -5.926 -6.599 386 HA ALA 53 HA ALA 53 -4.976 -3.817 -8.298 387 HB1 ALA 53 HB1 ALA 53 -6.858 -4.913 -6.175 388 HB2 ALA 53 HB2 ALA 53 -7.302 -4.168 -7.714 389 HB3 ALA 53 HB3 ALA 53 -6.503 -5.750 -7.700 390 H VAL 54 HN VAL 54 -5.165 -3.797 -4.722 391 HA VAL 54 HA VAL 54 -6.023 -1.130 -4.336 392 HB VAL 54 HB VAL 54 -4.319 -3.051 -2.701 393 HG11 VAL 54 HG11 VAL 54 -5.471 -0.496 -1.586 394 HG12 VAL 54 HG12 VAL 54 -4.566 -1.787 -0.752 395 HG13 VAL 54 HG13 VAL 54 -3.744 -0.768 -1.927 396 HG21 VAL 54 HG21 VAL 54 -7.159 -2.112 -2.221 397 HG22 VAL 54 HG22 VAL 54 -6.762 -3.607 -3.084 398 HG23 VAL 54 HG23 VAL 54 -6.296 -3.415 -1.392 399 H LEU 55 HN LEU 55 -2.766 -2.421 -5.045 400 HA LEU 55 HA LEU 55 -1.378 0.015 -4.253 401 HB2 LEU 55 HB2 LEU 55 -0.438 -2.309 -5.996 402 HB3 LEU 55 HB3 LEU 55 0.569 -0.977 -5.481 403 HG LEU 55 HG LEU 55 -0.646 -3.093 -3.703 404 HD11 LEU 55 HD11 LEU 55 1.651 -3.781 -3.366 405 HD12 LEU 55 HD12 LEU 55 2.242 -2.423 -4.341 406 HD13 LEU 55 HD13 LEU 55 1.300 -3.731 -5.093 407 HD21 LEU 55 HD21 LEU 55 0.528 -2.089 -1.833 408 HD22 LEU 55 HD22 LEU 55 -0.647 -0.949 -2.462 409 HD23 LEU 55 HD23 LEU 55 1.072 -0.732 -2.856 410 H GLN 56 HN GLN 56 -2.436 -1.441 -7.337 411 HA GLN 56 HA GLN 56 -1.242 0.543 -8.952 412 HB2 GLN 56 HB2 GLN 56 -2.146 -0.551 -10.715 413 HB3 GLN 56 HB3 GLN 56 -2.394 -1.808 -9.503 414 HG2 GLN 56 HG2 GLN 56 -4.756 -0.778 -9.208 415 HG3 GLN 56 HG3 GLN 56 -4.409 0.081 -10.703 416 HE21 GLN 56 HE21 GLN 56 -6.048 -2.455 -9.561 417 HE22 GLN 56 HE22 GLN 56 -6.038 -3.508 -10.958 418 H GLN 57 HN GLN 57 -4.413 0.460 -7.291 419 HA GLN 57 HA GLN 57 -5.290 2.908 -8.613 420 HB2 GLN 57 HB2 GLN 57 -6.743 1.015 -7.440 421 HB3 GLN 57 HB3 GLN 57 -6.543 2.044 -6.018 422 HG2 GLN 57 HG2 GLN 57 -7.312 4.008 -7.484 423 HG3 GLN 57 HG3 GLN 57 -7.703 2.835 -8.741 424 HE21 GLN 57 HE21 GLN 57 -8.997 0.780 -7.299 425 HE22 GLN 57 HE22 GLN 57 -10.380 1.430 -6.437 426 H PHE 58 HN PHE 58 -3.596 2.137 -5.606 427 HA PHE 58 HA PHE 58 -3.755 4.689 -4.367 428 HB2 PHE 58 HB2 PHE 58 -2.956 2.664 -3.220 429 HB3 PHE 58 HB3 PHE 58 -1.532 2.610 -4.250 430 HD1 PHE 58 HD1 PHE 58 0.219 4.437 -4.115 431 HD2 PHE 58 HD2 PHE 58 -3.073 4.172 -1.337 432 HE1 PHE 58 HE1 PHE 58 1.380 5.987 -2.565 433 HE2 PHE 58 HE2 PHE 58 -1.816 5.651 0.246 434 HZ PHE 58 HZ PHE 58 0.439 6.480 -0.374 435 H LYS 59 HN LYS 59 -1.094 3.374 -6.504 436 HA LYS 59 HA LYS 59 0.169 5.937 -6.656 437 HB2 LYS 59 HB2 LYS 59 1.302 3.774 -6.901 438 HB3 LYS 59 HB3 LYS 59 0.469 3.470 -8.430 439 HG2 LYS 59 HG2 LYS 59 1.767 4.956 -9.609 440 HG3 LYS 59 HG3 LYS 59 1.958 6.065 -8.258 441 HD2 LYS 59 HD2 LYS 59 3.329 3.514 -7.726 442 HD3 LYS 59 HD3 LYS 59 3.878 4.227 -9.228 443 HE2 LYS 59 HE2 LYS 59 3.610 5.903 -6.692 444 HE3 LYS 59 HE3 LYS 59 5.058 4.937 -6.977 445 HZ1 LYS 59 HZ1 LYS 59 4.068 6.880 -8.975 446 HZ2 LYS 59 HZ2 LYS 59 5.470 6.069 -9.006 447 HZ3 LYS 59 HZ3 LYS 59 5.243 7.239 -7.865 448 H ASP 60 HN ASP 60 -2.527 4.590 -8.497 449 HA ASP 60 HA ASP 60 -2.553 6.786 -10.421 450 HB2 ASP 60 HB2 ASP 60 -4.541 4.628 -9.608 451 HB3 ASP 60 HB3 ASP 60 -5.020 5.969 -10.633 452 H SER 61 HN SER 61 -2.023 7.986 -7.967 453 HA SER 61 HA SER 61 -4.286 9.770 -7.766 454 HB2 SER 61 HB2 SER 61 -3.257 8.486 -5.208 455 HB3 SER 61 HB3 SER 61 -4.505 9.721 -5.355 456 HG SER 61 HG SER 61 -4.670 7.069 -6.365 457 H ASP 62 HN ASP 62 -3.752 11.800 -6.917 458 HA ASP 62 HA ASP 62 -0.850 12.366 -6.896 459 HB2 ASP 62 HB2 ASP 62 -2.126 13.657 -8.537 460 HB3 ASP 62 HB3 ASP 62 -3.147 14.321 -7.246 461 H LEU 63 HN LEU 63 -0.424 11.680 -4.896 462 HA LEU 63 HA LEU 63 -1.896 12.341 -2.483 463 HB2 LEU 63 HB2 LEU 63 0.848 11.145 -2.948 464 HB3 LEU 63 HB3 LEU 63 -0.057 11.081 -1.446 465 HG LEU 63 HG LEU 63 -1.606 9.958 -3.717 466 HD11 LEU 63 HD11 LEU 63 0.549 9.219 -4.556 467 HD12 LEU 63 HD12 LEU 63 -0.312 7.856 -3.862 468 HD13 LEU 63 HD13 LEU 63 1.024 8.610 -2.947 469 HD21 LEU 63 HD21 LEU 63 -0.723 8.856 -1.048 470 HD22 LEU 63 HD22 LEU 63 -1.942 8.144 -2.114 471 HD23 LEU 63 HD23 LEU 63 -2.248 9.722 -1.365 472 H SER 64 HN SER 64 -1.268 14.771 -3.705 473 HA SER 64 HA SER 64 0.708 16.064 -1.876 474 HB2 SER 64 HB2 SER 64 -0.747 16.939 -4.390 475 HB3 SER 64 HB3 SER 64 -0.021 18.111 -3.285 476 HG SER 64 HG SER 64 1.362 15.958 -4.568 477 H HIS 65 HN HIS 65 -2.604 15.205 -1.841 478 HA HIS 65 HA HIS 65 -3.237 17.456 0.037 479 HB2 HIS 65 HB2 HIS 65 -4.934 16.235 -2.159 480 HB3 HIS 65 HB3 HIS 65 -5.595 17.214 -0.857 481 HD1 HIS 65 HD1 HIS 65 -5.630 18.091 -3.975 482 HD2 HIS 65 HD2 HIS 65 -3.145 19.449 -0.842 483 HE1 HIS 65 HE1 HIS 65 -4.864 20.440 -4.616 484 H VAL 66 HN VAL 66 -2.057 15.130 0.937 485 HA VAL 66 HA VAL 66 -4.250 13.720 2.351 486 HB VAL 66 HB VAL 66 -3.567 12.407 0.427 487 HG11 VAL 66 HG11 VAL 66 -1.259 11.613 0.180 488 HG12 VAL 66 HG12 VAL 66 -1.722 13.221 -0.396 489 HG13 VAL 66 HG13 VAL 66 -0.769 13.078 1.068 490 HG21 VAL 66 HG21 VAL 66 -2.238 11.374 2.984 491 HG22 VAL 66 HG22 VAL 66 -3.939 11.217 2.565 492 HG23 VAL 66 HG23 VAL 66 -2.685 10.411 1.573 493 H GLN 67 HN GLN 67 -4.022 14.575 4.352 494 HA GLN 67 HA GLN 67 -1.530 15.137 5.642 495 HB2 GLN 67 HB2 GLN 67 -2.894 15.278 7.733 496 HB3 GLN 67 HB3 GLN 67 -3.373 16.359 6.437 497 HG2 GLN 67 HG2 GLN 67 -4.871 13.779 6.997 498 HG3 GLN 67 HG3 GLN 67 -5.214 15.300 7.796 499 HE21 GLN 67 HE21 GLN 67 -5.748 13.452 4.915 500 HE22 GLN 67 HE22 GLN 67 -6.505 14.715 3.963 501 H ASN 68 HN ASN 68 -3.683 12.235 5.831 502 HA ASN 68 HA ASN 68 -1.539 10.852 7.408 503 HB2 ASN 68 HB2 ASN 68 -4.532 10.442 7.281 504 HB3 ASN 68 HB3 ASN 68 -3.434 9.134 7.735 505 HD21 ASN 68 HD21 ASN 68 -5.526 10.336 9.377 506 HD22 ASN 68 HD22 ASN 68 -4.616 10.885 10.792 507 H LYS 69 HN LYS 69 -0.256 10.018 5.848 508 HA LYS 69 HA LYS 69 -1.206 9.253 3.240 509 HB2 LYS 69 HB2 LYS 69 1.348 8.522 4.745 510 HB3 LYS 69 HB3 LYS 69 1.068 8.260 3.044 511 HG2 LYS 69 HG2 LYS 69 1.165 11.016 4.378 512 HG3 LYS 69 HG3 LYS 69 2.500 10.235 3.529 513 HD2 LYS 69 HD2 LYS 69 0.941 10.010 1.524 514 HD3 LYS 69 HD3 LYS 69 -0.173 11.066 2.360 515 HE2 LYS 69 HE2 LYS 69 2.678 11.803 1.576 516 HE3 LYS 69 HE3 LYS 69 1.226 12.233 0.678 517 HZ1 LYS 69 HZ1 LYS 69 0.487 13.389 2.797 518 HZ2 LYS 69 HZ2 LYS 69 1.689 14.074 1.955 519 HZ3 LYS 69 HZ3 LYS 69 2.054 13.234 3.312 520 H SER 70 HN SER 70 -0.687 7.650 6.296 521 HA SER 70 HA SER 70 -1.108 4.970 5.482 522 HB2 SER 70 HB2 SER 70 -1.532 4.545 7.876 523 HB3 SER 70 HB3 SER 70 -0.093 5.542 7.609 524 HG SER 70 HG SER 70 -1.131 6.447 9.254 525 H ALA 71 HN ALA 71 -3.420 7.204 7.049 526 HA ALA 71 HA ALA 71 -5.673 5.541 6.729 527 HB1 ALA 71 HB1 ALA 71 -7.023 7.504 7.166 528 HB2 ALA 71 HB2 ALA 71 -5.574 7.589 8.190 529 HB3 ALA 71 HB3 ALA 71 -5.702 8.588 6.711 530 H PHE 72 HN PHE 72 -4.119 7.632 4.337 531 HA PHE 72 HA PHE 72 -6.305 7.639 2.450 532 HB2 PHE 72 HB2 PHE 72 -4.280 9.056 2.391 533 HB3 PHE 72 HB3 PHE 72 -3.323 7.679 1.889 534 HD1 PHE 72 HD2 PHE 72 -4.096 6.435 -0.345 535 HD2 PHE 72 HD1 PHE 72 -5.182 10.480 0.742 536 HE1 PHE 72 HE2 PHE 72 -4.539 6.971 -2.716 537 HE2 PHE 72 HE1 PHE 72 -5.514 11.012 -1.633 538 HZ PHE 72 HZ PHE 72 -5.256 9.260 -3.355 539 H LEU 73 HN LEU 73 -3.468 5.496 2.830 540 HA LEU 73 HA LEU 73 -4.074 3.740 0.659 541 HB2 LEU 73 HB2 LEU 73 -1.856 3.890 1.668 542 HB3 LEU 73 HB3 LEU 73 -2.447 3.360 3.215 543 HG LEU 73 HG LEU 73 -2.918 1.150 2.396 544 HD11 LEU 73 HD11 LEU 73 -2.306 0.381 0.123 545 HD12 LEU 73 HD12 LEU 73 -1.904 2.044 -0.348 546 HD13 LEU 73 HD13 LEU 73 -3.587 1.583 0.031 547 HD21 LEU 73 HD21 LEU 73 -0.693 1.623 3.172 548 HD22 LEU 73 HD22 LEU 73 -0.159 2.062 1.534 549 HD23 LEU 73 HD23 LEU 73 -0.649 0.390 1.906 550 H CYS 74 HN CYS 74 -4.541 3.404 4.138 551 HA CYS 74 HA CYS 74 -6.120 1.059 4.039 552 HB2 CYS 74 HB2 CYS 74 -5.339 2.947 6.078 553 HB3 CYS 74 HB3 CYS 74 -7.074 2.632 6.237 554 HG CYS 74 HG CYS 74 -6.928 0.044 6.222 555 H GLY 75 HN GLY 75 -7.140 4.420 3.427 556 HA2 GLY 75 HA1 GLY 75 -9.951 3.988 3.463 557 HA3 GLY 75 HA2 GLY 75 -9.075 5.282 2.628 558 H VAL 76 HN VAL 76 -7.491 3.663 0.835 559 HA VAL 76 HA VAL 76 -9.419 2.928 -1.196 560 HB VAL 76 HB VAL 76 -6.415 2.328 -0.942 561 HG11 VAL 76 HG11 VAL 76 -8.212 2.088 -3.362 562 HG12 VAL 76 HG12 VAL 76 -6.435 2.093 -3.416 563 HG13 VAL 76 HG13 VAL 76 -7.260 0.808 -2.551 564 HG21 VAL 76 HG21 VAL 76 -6.145 4.223 -2.563 565 HG22 VAL 76 HG22 VAL 76 -7.877 4.564 -2.410 566 HG23 VAL 76 HG23 VAL 76 -6.793 4.746 -1.017 567 H MET 77 HN MET 77 -7.337 1.020 1.079 568 HA MET 77 HA MET 77 -8.326 -1.531 0.330 569 HB2 MET 77 HB2 MET 77 -7.189 -0.453 2.931 570 HB3 MET 77 HB3 MET 77 -7.663 -2.140 2.763 571 HG2 MET 77 HG2 MET 77 -5.946 -2.657 1.380 572 HG3 MET 77 HG3 MET 77 -6.108 -1.150 0.499 573 HE1 MET 77 HE1 MET 77 -3.490 -1.553 4.261 574 HE2 MET 77 HE2 MET 77 -5.264 -1.684 4.339 575 HE3 MET 77 HE3 MET 77 -4.318 -2.936 3.490 576 H LYS 78 HN LYS 78 -9.766 0.863 2.530 577 HA LYS 78 HA LYS 78 -11.769 -0.768 3.661 578 HB2 LYS 78 HB2 LYS 78 -11.151 1.527 4.384 579 HB3 LYS 78 HB3 LYS 78 -11.927 2.182 2.942 580 HG2 LYS 78 HG2 LYS 78 -14.104 1.263 3.679 581 HG3 LYS 78 HG3 LYS 78 -13.311 0.601 5.129 582 HD2 LYS 78 HD2 LYS 78 -12.544 2.957 5.685 583 HD3 LYS 78 HD3 LYS 78 -13.548 3.537 4.332 584 HE2 LYS 78 HE2 LYS 78 -15.522 2.421 5.408 585 HE3 LYS 78 HE3 LYS 78 -14.489 1.984 6.783 586 HZ1 LYS 78 HZ1 LYS 78 -14.086 4.436 7.024 587 HZ2 LYS 78 HZ2 LYS 78 -15.672 3.963 7.270 588 HZ3 LYS 78 HZ3 LYS 78 -15.224 4.674 5.861 589 H THR 79 HN THR 79 -12.066 1.335 0.698 590 HA THR 79 HA THR 79 -14.580 0.166 0.053 591 HB THR 79 HB THR 79 -13.948 2.372 -0.703 592 HG1 THR 79 HG1 THR 79 -14.800 2.162 -2.747 593 HG21 THR 79 HG21 THR 79 -11.655 2.236 -1.268 594 HG22 THR 79 HG22 THR 79 -12.592 2.746 -2.668 595 HG23 THR 79 HG23 THR 79 -11.979 1.080 -2.586 596 H TYR 80 HN TYR 80 -11.275 -0.614 -1.325 597 HA TYR 80 HA TYR 80 -11.991 -2.496 -3.087 598 HB2 TYR 80 HB2 TYR 80 -9.621 -2.029 -1.380 599 HB3 TYR 80 HB3 TYR 80 -9.752 -3.656 -1.992 600 HD1 TYR 80 HD1 TYR 80 -10.002 -4.137 -4.354 601 HD2 TYR 80 HD2 TYR 80 -9.140 -0.200 -2.944 602 HE1 TYR 80 HE1 TYR 80 -9.174 -3.547 -6.604 603 HE2 TYR 80 HE2 TYR 80 -8.224 0.426 -5.146 604 HH TYR 80 HH TYR 80 -8.517 -1.841 -7.957 605 H ARG 81 HN ARG 81 -12.181 -3.197 0.375 606 HA ARG 81 HA ARG 81 -13.169 -5.939 -0.357 607 HB2 ARG 81 HB2 ARG 81 -11.185 -5.099 1.644 608 HB3 ARG 81 HB3 ARG 81 -12.445 -6.101 2.332 609 HG2 ARG 81 HG2 ARG 81 -11.316 -7.120 -0.247 610 HG3 ARG 81 HG3 ARG 81 -10.189 -7.064 1.103 611 HD2 ARG 81 HD2 ARG 81 -11.709 -8.394 2.506 612 HD3 ARG 81 HD3 ARG 81 -12.941 -8.363 1.245 613 HE ARG 81 HE ARG 81 -11.907 -10.072 0.138 614 HH11 ARG 81 HH11 ARG 81 -9.483 -8.841 2.473 615 HH12 ARG 81 HH12 ARG 81 -8.471 -10.226 2.327 616 HH21 ARG 81 HH21 ARG 81 -10.660 -11.825 -0.033 617 HH22 ARG 81 HH22 ARG 81 -9.154 -12.043 0.807 618 H GLN 82 HN GLN 82 -14.353 -2.927 0.629 619 HA GLN 82 HA GLN 82 -16.905 -4.293 1.058 620 HB2 GLN 82 HB2 GLN 82 -15.745 -1.852 2.485 621 HB3 GLN 82 HB3 GLN 82 -17.431 -2.053 2.178 622 HG2 GLN 82 HG2 GLN 82 -16.961 -4.443 3.387 623 HG3 GLN 82 HG3 GLN 82 -15.706 -3.452 4.144 624 HE21 GLN 82 HE21 GLN 82 -19.170 -3.929 3.714 625 HE22 GLN 82 HE22 GLN 82 -19.735 -2.797 4.911 626 H ARG 83 HN ARG 83 -16.712 -4.202 -1.366 627 HA ARG 83 HA ARG 83 -17.434 -1.507 -2.443 628 HB2 ARG 83 HB2 ARG 83 -16.317 -2.140 -4.553 629 HB3 ARG 83 HB3 ARG 83 -15.213 -1.889 -3.249 630 HG2 ARG 83 HG2 ARG 83 -14.843 -4.287 -2.972 631 HG3 ARG 83 HG3 ARG 83 -16.193 -4.655 -4.051 632 HD2 ARG 83 HD2 ARG 83 -14.911 -3.355 -5.870 633 HD3 ARG 83 HD3 ARG 83 -13.522 -3.358 -4.779 634 HE ARG 83 HE ARG 83 -13.085 -5.485 -5.499 635 HH11 ARG 83 HH11 ARG 83 -16.514 -4.801 -6.157 636 HH12 ARG 83 HH12 ARG 83 -16.880 -6.355 -6.776 637 HH21 ARG 83 HH21 ARG 83 -13.490 -7.517 -6.639 638 HH22 ARG 83 HH22 ARG 83 -15.155 -7.901 -7.011 639 H GLU 84 HN GLU 84 -18.867 -4.153 -1.621 640 HA GLU 84 HA GLU 84 -20.415 -4.799 -4.054 641 HB2 GLU 84 HB2 GLU 84 -21.245 -6.666 -2.669 642 HB3 GLU 84 HB3 GLU 84 -19.510 -6.643 -2.882 643 HG2 GLU 84 HG2 GLU 84 -19.339 -6.958 -0.696 644 HG3 GLU 84 HG3 GLU 84 -19.663 -5.270 -0.508 645 H LYS 85 HN LYS 85 -20.810 -2.382 -3.525 646 HA LYS 85 HA LYS 85 -22.762 -1.599 -1.517 647 HB2 LYS 85 HB2 LYS 85 -21.756 -0.318 -4.100 648 HB3 LYS 85 HB3 LYS 85 -23.000 0.430 -3.106 649 HG2 LYS 85 HG2 LYS 85 -20.155 -0.180 -2.193 650 HG3 LYS 85 HG3 LYS 85 -20.838 1.401 -2.622 651 HD2 LYS 85 HD2 LYS 85 -22.675 0.760 -0.791 652 HD3 LYS 85 HD3 LYS 85 -21.420 -0.329 -0.201 653 HE2 LYS 85 HE2 LYS 85 -21.176 2.678 -0.637 654 HE3 LYS 85 HE3 LYS 85 -21.439 1.862 0.917 655 HZ1 LYS 85 HZ1 LYS 85 -19.332 0.936 0.854 656 HZ2 LYS 85 HZ2 LYS 85 -19.138 2.534 0.426 657 HZ3 LYS 85 HZ3 LYS 85 -19.049 1.376 -0.719 Start of MODEL 5 1 H1 GLY 1 HN GLY 1 15.447 -1.539 -8.295 2 HA2 GLY 1 HA1 GLY 1 13.521 -0.786 -6.850 3 HA3 GLY 1 HA2 GLY 1 13.589 -2.420 -6.157 4 H SER 2 HN SER 2 13.894 -0.489 -4.347 5 HA SER 2 HA SER 2 16.828 -0.202 -3.870 6 HB2 SER 2 HB2 SER 2 14.742 1.896 -3.523 7 HB3 SER 2 HB3 SER 2 16.445 2.066 -3.097 8 HG SER 2 HG SER 2 15.464 1.579 -5.734 9 H GLU 3 HN GLU 3 16.588 1.136 -1.372 10 HA GLU 3 HA GLU 3 16.795 -1.170 0.116 11 HB2 GLU 3 HB2 GLU 3 16.790 0.355 2.123 12 HB3 GLU 3 HB3 GLU 3 17.967 0.694 0.870 13 HG2 GLU 3 HG2 GLU 3 15.402 2.251 0.738 14 HG3 GLU 3 HG3 GLU 3 16.475 2.583 2.098 15 H ASN 4 HN ASN 4 13.885 0.613 -0.451 16 HA ASN 4 HA ASN 4 12.425 -0.182 1.891 17 HB2 ASN 4 HB2 ASN 4 10.969 0.201 -0.710 18 HB3 ASN 4 HB3 ASN 4 10.517 0.715 0.905 19 HD21 ASN 4 HD21 ASN 4 12.283 1.493 -2.029 20 HD22 ASN 4 HD22 ASN 4 12.702 3.147 -1.555 21 H PHE 5 HN PHE 5 13.011 -1.704 -1.252 22 HA PHE 5 HA PHE 5 11.012 -3.683 -1.279 23 HB2 PHE 5 HB2 PHE 5 12.562 -3.093 -3.152 24 HB3 PHE 5 HB3 PHE 5 13.891 -3.814 -2.270 25 HD1 PHE 5 HD1 PHE 5 10.397 -4.863 -3.244 26 HD2 PHE 5 HD2 PHE 5 14.576 -5.860 -3.108 27 HE1 PHE 5 HE1 PHE 5 9.933 -7.009 -4.414 28 HE2 PHE 5 HE2 PHE 5 14.143 -7.911 -4.423 29 HZ PHE 5 HZ PHE 5 11.819 -8.494 -5.092 30 H GLN 6 HN GLN 6 14.251 -3.708 0.166 31 HA GLN 6 HA GLN 6 14.174 -6.417 1.063 32 HB2 GLN 6 HB2 GLN 6 16.267 -5.052 0.828 33 HB3 GLN 6 HB3 GLN 6 15.727 -4.056 2.187 34 HG2 GLN 6 HG2 GLN 6 17.352 -5.648 2.999 35 HG3 GLN 6 HG3 GLN 6 15.782 -6.070 3.675 36 HE21 GLN 6 HE21 GLN 6 14.689 -7.995 2.898 37 HE22 GLN 6 HE22 GLN 6 15.580 -9.209 2.003 38 H THR 7 HN THR 7 13.513 -3.289 2.795 39 HA THR 7 HA THR 7 12.858 -4.301 5.272 40 HB THR 7 HB THR 7 11.538 -1.947 3.848 41 HG1 THR 7 HG1 THR 7 13.356 -0.770 4.669 42 HG21 THR 7 HG21 THR 7 12.307 -2.314 6.773 43 HG22 THR 7 HG22 THR 7 10.667 -2.506 6.122 44 HG23 THR 7 HG23 THR 7 11.460 -0.929 6.048 45 H LEU 8 HN LEU 8 10.695 -3.742 2.452 46 HA LEU 8 HA LEU 8 8.299 -4.579 3.767 47 HB2 LEU 8 HB2 LEU 8 9.083 -4.545 0.833 48 HB3 LEU 8 HB3 LEU 8 7.480 -4.908 1.394 49 HG LEU 8 HG LEU 8 8.796 -2.299 2.256 50 HD11 LEU 8 HD11 LEU 8 9.066 -2.420 -0.194 51 HD12 LEU 8 HD12 LEU 8 7.913 -1.180 0.271 52 HD13 LEU 8 HD13 LEU 8 7.342 -2.750 -0.365 53 HD21 LEU 8 HD21 LEU 8 6.344 -1.609 2.210 54 HD22 LEU 8 HD22 LEU 8 6.763 -2.848 3.397 55 HD23 LEU 8 HD23 LEU 8 5.949 -3.302 1.891 56 H LEU 9 HN LEU 9 10.704 -6.386 1.820 57 HA LEU 9 HA LEU 9 9.233 -8.862 1.780 58 HB2 LEU 9 HB2 LEU 9 12.162 -8.121 1.465 59 HB3 LEU 9 HB3 LEU 9 11.635 -9.789 1.459 60 HG LEU 9 HG LEU 9 10.577 -7.728 -0.510 61 HD11 LEU 9 HD11 LEU 9 12.090 -8.832 -2.116 62 HD12 LEU 9 HD12 LEU 9 12.751 -9.845 -0.794 63 HD13 LEU 9 HD13 LEU 9 12.989 -8.076 -0.795 64 HD21 LEU 9 HD21 LEU 9 9.032 -9.615 -0.268 65 HD22 LEU 9 HD22 LEU 9 10.373 -10.772 -0.414 66 HD23 LEU 9 HD23 LEU 9 9.911 -9.759 -1.794 67 H ASP 10 HN ASP 10 10.913 -7.225 4.313 68 HA ASP 10 HA ASP 10 10.949 -9.670 6.021 69 HB2 ASP 10 HB2 ASP 10 12.860 -7.752 5.634 70 HB3 ASP 10 HB3 ASP 10 12.050 -7.100 7.051 71 H ALA 11 HN ALA 11 8.744 -7.330 5.279 72 HA ALA 11 HA ALA 11 7.809 -6.795 8.031 73 HB1 ALA 11 HB1 ALA 11 6.830 -5.739 5.356 74 HB2 ALA 11 HB2 ALA 11 6.371 -5.151 6.966 75 HB3 ALA 11 HB3 ALA 11 8.040 -4.941 6.400 76 H GLY 12 HN GLY 12 7.549 -9.567 6.938 77 HA2 GLY 12 HA1 GLY 12 5.987 -11.232 6.845 78 HA3 GLY 12 HA2 GLY 12 4.850 -10.084 7.538 79 H LEU 13 HN LEU 13 6.247 -9.134 4.497 80 HA LEU 13 HA LEU 13 3.599 -9.586 3.209 81 HB2 LEU 13 HB2 LEU 13 5.807 -7.637 2.551 82 HB3 LEU 13 HB3 LEU 13 4.225 -7.720 1.777 83 HG LEU 13 HG LEU 13 4.555 -6.976 4.689 84 HD11 LEU 13 HD11 LEU 13 4.393 -4.648 3.972 85 HD12 LEU 13 HD12 LEU 13 4.326 -5.141 2.263 86 HD13 LEU 13 HD13 LEU 13 5.806 -5.396 3.202 87 HD21 LEU 13 HD21 LEU 13 2.296 -6.044 4.340 88 HD22 LEU 13 HD22 LEU 13 2.313 -7.775 3.987 89 HD23 LEU 13 HD23 LEU 13 2.325 -6.609 2.639 90 HA PRO 14 HA PRO 14 5.647 -11.949 -0.025 91 HB2 PRO 14 HB2 PRO 14 3.933 -11.631 -2.115 92 HB3 PRO 14 HB3 PRO 14 3.473 -12.547 -0.694 93 HG2 PRO 14 HG2 PRO 14 2.841 -9.671 -1.244 94 HG3 PRO 14 HG3 PRO 14 1.714 -10.955 -0.699 95 HD2 PRO 14 HD2 PRO 14 2.817 -9.174 1.001 96 HD3 PRO 14 HD3 PRO 14 2.587 -10.872 1.488 97 H GLN 15 HN GLN 15 6.242 -11.753 -2.477 98 HA GLN 15 HA GLN 15 8.008 -9.462 -2.787 99 HB2 GLN 15 HB2 GLN 15 8.711 -11.780 -3.243 100 HB3 GLN 15 HB3 GLN 15 7.491 -11.942 -4.500 101 HG2 GLN 15 HG2 GLN 15 8.629 -10.622 -6.012 102 HG3 GLN 15 HG3 GLN 15 9.313 -9.576 -4.777 103 HE21 GLN 15 HE21 GLN 15 11.170 -10.446 -3.435 104 HE22 GLN 15 HE22 GLN 15 12.191 -11.639 -4.197 105 H LYS 16 HN LYS 16 5.174 -10.875 -4.681 106 HA LYS 16 HA LYS 16 5.387 -9.073 -6.618 107 HB2 LYS 16 HB2 LYS 16 3.591 -11.072 -5.770 108 HB3 LYS 16 HB3 LYS 16 2.545 -9.668 -6.002 109 HG2 LYS 16 HG2 LYS 16 4.554 -10.547 -8.081 110 HG3 LYS 16 HG3 LYS 16 2.998 -11.350 -7.893 111 HD2 LYS 16 HD2 LYS 16 1.768 -9.311 -8.309 112 HD3 LYS 16 HD3 LYS 16 3.270 -8.350 -8.431 113 HE2 LYS 16 HE2 LYS 16 3.033 -10.926 -9.908 114 HE3 LYS 16 HE3 LYS 16 2.124 -9.538 -10.582 115 HZ1 LYS 16 HZ1 LYS 16 5.056 -9.593 -10.099 116 HZ2 LYS 16 HZ2 LYS 16 4.240 -8.361 -10.773 117 HZ3 LYS 16 HZ3 LYS 16 4.313 -9.777 -11.563 118 H VAL 17 HN VAL 17 3.623 -8.647 -3.579 119 HA VAL 17 HA VAL 17 2.746 -5.955 -3.913 120 HB VAL 17 HB VAL 17 3.538 -7.534 -1.429 121 HG11 VAL 17 HG11 VAL 17 2.347 -5.937 -0.063 122 HG12 VAL 17 HG12 VAL 17 3.594 -5.070 -0.957 123 HG13 VAL 17 HG13 VAL 17 1.895 -4.969 -1.480 124 HG21 VAL 17 HG21 VAL 17 0.793 -6.847 -2.575 125 HG22 VAL 17 HG22 VAL 17 1.561 -8.429 -2.672 126 HG23 VAL 17 HG23 VAL 17 1.113 -7.802 -1.100 127 H ALA 18 HN ALA 18 5.661 -7.134 -2.099 128 HA ALA 18 HA ALA 18 6.857 -4.833 -1.525 129 HB1 ALA 18 HB1 ALA 18 8.419 -7.252 -2.530 130 HB2 ALA 18 HB2 ALA 18 9.030 -5.958 -1.486 131 HB3 ALA 18 HB3 ALA 18 7.804 -7.068 -0.882 132 H GLU 19 HN GLU 19 7.326 -6.475 -4.622 133 HA GLU 19 HA GLU 19 9.235 -4.816 -5.838 134 HB2 GLU 19 HB2 GLU 19 6.944 -6.570 -6.799 135 HB3 GLU 19 HB3 GLU 19 7.776 -5.547 -7.941 136 HG2 GLU 19 HG2 GLU 19 9.902 -6.838 -6.653 137 HG3 GLU 19 HG3 GLU 19 8.697 -8.099 -6.726 138 H LYS 20 HN LYS 20 5.638 -4.555 -6.051 139 HA LYS 20 HA LYS 20 5.768 -2.099 -7.626 140 HB2 LYS 20 HB2 LYS 20 3.586 -3.753 -6.314 141 HB3 LYS 20 HB3 LYS 20 3.255 -2.061 -6.650 142 HG2 LYS 20 HG2 LYS 20 2.445 -3.265 -8.486 143 HG3 LYS 20 HG3 LYS 20 3.865 -2.380 -9.037 144 HD2 LYS 20 HD2 LYS 20 5.218 -4.450 -8.906 145 HD3 LYS 20 HD3 LYS 20 3.853 -5.356 -8.310 146 HE2 LYS 20 HE2 LYS 20 4.070 -3.968 -11.018 147 HE3 LYS 20 HE3 LYS 20 4.241 -5.698 -10.734 148 HZ1 LYS 20 HZ1 LYS 20 1.878 -5.770 -10.128 149 HZ2 LYS 20 HZ2 LYS 20 2.059 -5.097 -11.579 150 HZ3 LYS 20 HZ3 LYS 20 1.757 -4.124 -10.333 151 H LEU 21 HN LEU 21 5.489 -2.935 -4.206 152 HA LEU 21 HA LEU 21 4.497 -0.400 -3.360 153 HB2 LEU 21 HB2 LEU 21 4.120 -2.625 -2.303 154 HB3 LEU 21 HB3 LEU 21 5.800 -2.656 -1.808 155 HG LEU 21 HG LEU 21 5.500 -0.990 -0.185 156 HD11 LEU 21 HD11 LEU 21 2.855 -0.352 -1.536 157 HD12 LEU 21 HD12 LEU 21 4.252 0.730 -1.302 158 HD13 LEU 21 HD13 LEU 21 3.303 0.209 0.085 159 HD21 LEU 21 HD21 LEU 21 2.879 -2.549 -0.174 160 HD22 LEU 21 HD22 LEU 21 3.763 -1.903 1.227 161 HD23 LEU 21 HD23 LEU 21 4.444 -3.238 0.283 162 H ASP 22 HN ASP 22 7.763 -1.877 -3.304 163 HA ASP 22 HA ASP 22 9.281 0.080 -2.035 164 HB2 ASP 22 HB2 ASP 22 10.251 -1.990 -2.650 165 HB3 ASP 22 HB3 ASP 22 9.740 -1.835 -4.321 166 H GLU 23 HN GLU 23 8.374 -0.171 -5.436 167 HA GLU 23 HA GLU 23 9.627 2.155 -6.424 168 HB2 GLU 23 HB2 GLU 23 7.480 0.218 -7.274 169 HB3 GLU 23 HB3 GLU 23 7.584 1.708 -8.179 170 HG2 GLU 23 HG2 GLU 23 10.090 0.059 -7.635 171 HG3 GLU 23 HG3 GLU 23 9.003 -0.332 -8.977 172 H ILE 24 HN ILE 24 6.782 1.994 -4.415 173 HA ILE 24 HA ILE 24 5.633 4.457 -5.481 174 HB ILE 24 HB ILE 24 5.028 3.103 -2.822 175 HG12 ILE 24 HG12 ILE 24 3.966 2.573 -5.637 176 HG13 ILE 24 HG13 ILE 24 4.728 1.453 -4.519 177 HG21 ILE 24 HG21 ILE 24 2.916 4.262 -2.929 178 HG22 ILE 24 HG22 ILE 24 4.171 5.461 -3.201 179 HG23 ILE 24 HG23 ILE 24 3.249 4.837 -4.576 180 HD11 ILE 24 HD11 ILE 24 2.494 0.837 -4.558 181 HD12 ILE 24 HD12 ILE 24 2.714 1.697 -3.017 182 HD13 ILE 24 HD13 ILE 24 1.931 2.508 -4.409 183 H TYR 25 HN TYR 25 8.030 3.457 -3.105 184 HA TYR 25 HA TYR 25 8.153 6.100 -1.844 185 HB2 TYR 25 HB2 TYR 25 9.913 3.652 -1.447 186 HB3 TYR 25 HB3 TYR 25 9.773 5.050 -0.381 187 HD1 TYR 25 HD1 TYR 25 7.159 5.614 0.171 188 HD2 TYR 25 HD2 TYR 25 8.699 1.697 -0.729 189 HE1 TYR 25 HE1 TYR 25 5.184 4.662 1.188 190 HE2 TYR 25 HE2 TYR 25 6.753 0.685 0.348 191 HH TYR 25 HH TYR 25 5.155 1.284 2.090 192 H VAL 26 HN VAL 26 10.272 4.027 -3.878 193 HA VAL 26 HA VAL 26 12.497 5.682 -3.980 194 HB VAL 26 HB VAL 26 11.392 3.924 -6.215 195 HG11 VAL 26 HG11 VAL 26 13.231 5.412 -7.054 196 HG12 VAL 26 HG12 VAL 26 14.257 4.867 -5.722 197 HG13 VAL 26 HG13 VAL 26 13.736 3.724 -6.979 198 HG21 VAL 26 HG21 VAL 26 12.983 2.228 -5.280 199 HG22 VAL 26 HG22 VAL 26 13.276 3.343 -3.912 200 HG23 VAL 26 HG23 VAL 26 11.681 2.625 -4.178 201 H ALA 27 HN ALA 27 9.528 6.020 -5.917 202 HA ALA 27 HA ALA 27 10.635 7.897 -7.800 203 HB1 ALA 27 HB1 ALA 27 7.797 7.047 -7.091 204 HB2 ALA 27 HB2 ALA 27 8.208 8.139 -8.441 205 HB3 ALA 27 HB3 ALA 27 8.810 6.479 -8.426 206 H GLY 28 HN GLY 28 10.145 8.363 -4.556 207 HA2 GLY 28 HA1 GLY 28 10.465 10.262 -3.406 208 HA3 GLY 28 HA2 GLY 28 10.176 11.237 -4.862 209 H LEU 29 HN LEU 29 7.687 8.967 -4.353 210 HA LEU 29 HA LEU 29 5.856 11.167 -4.182 211 HB2 LEU 29 HB2 LEU 29 5.150 8.216 -4.053 212 HB3 LEU 29 HB3 LEU 29 4.110 9.561 -4.515 213 HG LEU 29 HG LEU 29 6.576 8.597 -6.034 214 HD11 LEU 29 HD11 LEU 29 5.050 7.802 -7.711 215 HD12 LEU 29 HD12 LEU 29 3.657 8.481 -6.839 216 HD13 LEU 29 HD13 LEU 29 4.574 7.146 -6.115 217 HD21 LEU 29 HD21 LEU 29 4.581 10.759 -6.762 218 HD22 LEU 29 HD22 LEU 29 5.837 10.132 -7.849 219 HD23 LEU 29 HD23 LEU 29 6.303 11.025 -6.401 220 H VAL 30 HN VAL 30 6.167 8.284 -2.076 221 HA VAL 30 HA VAL 30 5.479 10.015 0.296 222 HB VAL 30 HB VAL 30 4.377 7.859 1.192 223 HG11 VAL 30 HG11 VAL 30 2.246 8.394 0.092 224 HG12 VAL 30 HG12 VAL 30 3.113 9.841 0.642 225 HG13 VAL 30 HG13 VAL 30 3.107 9.415 -1.084 226 HG21 VAL 30 HG21 VAL 30 3.468 6.288 -0.350 227 HG22 VAL 30 HG22 VAL 30 4.024 7.209 -1.759 228 HG23 VAL 30 HG23 VAL 30 5.197 6.372 -0.722 229 H ALA 31 HN ALA 31 6.073 8.954 2.464 230 HA ALA 31 HA ALA 31 8.852 7.959 2.375 231 HB1 ALA 31 HB1 ALA 31 6.940 8.898 4.549 232 HB2 ALA 31 HB2 ALA 31 8.394 7.974 4.953 233 HB3 ALA 31 HB3 ALA 31 8.527 9.522 4.115 234 H HIS 32 HN HIS 32 9.455 5.934 3.442 235 HA HIS 32 HA HIS 32 7.506 3.815 2.889 236 HB2 HIS 32 HB2 HIS 32 9.226 2.269 3.724 237 HB3 HIS 32 HB3 HIS 32 9.747 3.275 2.381 238 HD1 HIS 32 HD1 HIS 32 10.349 2.955 6.251 239 HD2 HIS 32 HD2 HIS 32 11.979 4.523 2.679 240 HE1 HIS 32 HE1 HIS 32 12.579 3.911 6.855 241 H SER 33 HN SER 33 8.770 5.456 5.781 242 HA SER 33 HA SER 33 7.313 3.655 7.577 243 HB2 SER 33 HB2 SER 33 9.401 5.668 7.799 244 HB3 SER 33 HB3 SER 33 8.139 5.982 8.993 245 HG SER 33 HG SER 33 8.312 3.824 9.668 246 H ASP 34 HN ASP 34 5.944 5.710 5.508 247 HA ASP 34 HA ASP 34 4.721 7.654 7.208 248 HB2 ASP 34 HB2 ASP 34 5.294 7.481 4.582 249 HB3 ASP 34 HB3 ASP 34 3.598 7.078 4.472 250 H LEU 35 HN LEU 35 3.885 4.403 6.852 251 HA LEU 35 HA LEU 35 0.996 4.872 7.169 252 HB2 LEU 35 HB2 LEU 35 2.319 2.198 6.687 253 HB3 LEU 35 HB3 LEU 35 0.661 2.680 6.461 254 HG LEU 35 HG LEU 35 1.626 2.362 4.381 255 HD11 LEU 35 HD11 LEU 35 1.373 5.376 4.768 256 HD12 LEU 35 HD12 LEU 35 0.015 4.238 4.653 257 HD13 LEU 35 HD13 LEU 35 1.082 4.470 3.278 258 HD21 LEU 35 HD21 LEU 35 3.575 3.108 3.489 259 HD22 LEU 35 HD22 LEU 35 4.042 2.855 5.155 260 HD23 LEU 35 HD23 LEU 35 3.718 4.501 4.554 261 H ASP 36 HN ASP 36 -0.036 3.055 8.544 262 HA ASP 36 HA ASP 36 1.223 3.195 11.233 263 HB2 ASP 36 HB2 ASP 36 -1.681 3.141 10.311 264 HB3 ASP 36 HB3 ASP 36 -1.191 3.080 12.008 265 H GLU 37 HN GLU 37 0.303 1.459 12.709 266 HA GLU 37 HA GLU 37 1.122 -1.072 11.969 267 HB2 GLU 37 HB2 GLU 37 0.518 -0.015 14.287 268 HB3 GLU 37 HB3 GLU 37 -1.126 -0.539 13.953 269 HG2 GLU 37 HG2 GLU 37 -0.258 -2.354 15.166 270 HG3 GLU 37 HG3 GLU 37 -0.105 -2.883 13.503 271 H ARG 38 HN ARG 38 -2.192 0.254 11.911 272 HA ARG 38 HA ARG 38 -3.627 -1.985 10.996 273 HB2 ARG 38 HB2 ARG 38 -5.324 -0.325 10.363 274 HB3 ARG 38 HB3 ARG 38 -4.649 -0.055 11.979 275 HG2 ARG 38 HG2 ARG 38 -3.075 1.636 10.993 276 HG3 ARG 38 HG3 ARG 38 -3.849 1.374 9.444 277 HD2 ARG 38 HD2 ARG 38 -5.959 2.295 10.387 278 HD3 ARG 38 HD3 ARG 38 -5.220 2.301 11.995 279 HE ARG 38 HE ARG 38 -3.510 3.898 10.573 280 HH11 ARG 38 HH11 ARG 38 -6.866 4.117 11.639 281 HH12 ARG 38 HH12 ARG 38 -6.966 5.821 11.270 282 HH21 ARG 38 HH21 ARG 38 -3.583 6.091 10.546 283 HH22 ARG 38 HH22 ARG 38 -5.101 6.965 10.695 284 H ALA 39 HN ALA 39 -1.344 -0.070 9.188 285 HA ALA 39 HA ALA 39 -2.528 -0.840 6.591 286 HB1 ALA 39 HB1 ALA 39 0.111 0.539 7.202 287 HB2 ALA 39 HB2 ALA 39 -0.638 0.321 5.616 288 HB3 ALA 39 HB3 ALA 39 -1.421 1.375 6.821 289 H ILE 40 HN ILE 40 0.163 -1.727 8.824 290 HA ILE 40 HA ILE 40 1.270 -3.771 7.086 291 HB ILE 40 HB ILE 40 1.271 -3.810 10.135 292 HG12 ILE 40 HG12 ILE 40 2.095 -1.633 9.690 293 HG13 ILE 40 HG13 ILE 40 3.457 -2.677 10.061 294 HG21 ILE 40 HG21 ILE 40 2.047 -5.877 9.081 295 HG22 ILE 40 HG22 ILE 40 3.211 -4.980 8.100 296 HG23 ILE 40 HG23 ILE 40 3.388 -5.035 9.862 297 HD11 ILE 40 HD11 ILE 40 2.650 -1.647 7.321 298 HD12 ILE 40 HD12 ILE 40 4.096 -1.244 8.255 299 HD13 ILE 40 HD13 ILE 40 3.917 -2.871 7.579 300 H GLU 41 HN GLU 41 -0.910 -3.971 9.916 301 HA GLU 41 HA GLU 41 -1.386 -6.716 9.762 302 HB2 GLU 41 HB2 GLU 41 -1.891 -5.537 11.754 303 HB3 GLU 41 HB3 GLU 41 -2.912 -4.345 10.940 304 HG2 GLU 41 HG2 GLU 41 -4.724 -5.829 10.689 305 HG3 GLU 41 HG3 GLU 41 -3.718 -7.250 10.955 306 H ALA 42 HN ALA 42 -3.401 -4.076 8.312 307 HA ALA 42 HA ALA 42 -5.369 -5.949 7.387 308 HB1 ALA 42 HB1 ALA 42 -4.774 -3.138 6.461 309 HB2 ALA 42 HB2 ALA 42 -6.253 -4.052 6.098 310 HB3 ALA 42 HB3 ALA 42 -5.890 -3.589 7.779 311 H LEU 43 HN LEU 43 -2.325 -4.675 5.852 312 HA LEU 43 HA LEU 43 -2.777 -5.637 3.268 313 HB2 LEU 43 HB2 LEU 43 -0.474 -4.880 4.959 314 HB3 LEU 43 HB3 LEU 43 -0.049 -6.142 3.859 315 HG LEU 43 HG LEU 43 -1.501 -3.619 3.044 316 HD11 LEU 43 HD11 LEU 43 0.703 -3.023 3.986 317 HD12 LEU 43 HD12 LEU 43 0.665 -2.731 2.239 318 HD13 LEU 43 HD13 LEU 43 1.502 -4.158 2.885 319 HD21 LEU 43 HD21 LEU 43 -1.641 -5.527 1.400 320 HD22 LEU 43 HD22 LEU 43 0.136 -5.593 1.359 321 HD23 LEU 43 HD23 LEU 43 -0.731 -4.163 0.753 322 H LYS 44 HN LYS 44 -1.840 -7.425 6.231 323 HA LYS 44 HA LYS 44 -1.249 -9.896 4.910 324 HB2 LYS 44 HB2 LYS 44 -2.442 -9.602 7.676 325 HB3 LYS 44 HB3 LYS 44 -1.437 -10.914 7.096 326 HG2 LYS 44 HG2 LYS 44 -0.534 -8.049 7.591 327 HG3 LYS 44 HG3 LYS 44 -0.319 -9.370 8.692 328 HD2 LYS 44 HD2 LYS 44 0.837 -9.948 6.004 329 HD3 LYS 44 HD3 LYS 44 1.496 -8.497 6.748 330 HE2 LYS 44 HE2 LYS 44 2.857 -9.755 7.933 331 HE3 LYS 44 HE3 LYS 44 1.473 -10.213 8.906 332 HZ1 LYS 44 HZ1 LYS 44 2.586 -12.144 8.170 333 HZ2 LYS 44 HZ2 LYS 44 2.612 -11.665 6.583 334 HZ3 LYS 44 HZ3 LYS 44 1.194 -12.125 7.316 335 H GLU 45 HN GLU 45 -4.336 -8.349 5.672 336 HA GLU 45 HA GLU 45 -5.896 -10.789 5.512 337 HB2 GLU 45 HB2 GLU 45 -6.812 -7.920 5.211 338 HB3 GLU 45 HB3 GLU 45 -7.837 -9.310 5.483 339 HG2 GLU 45 HG2 GLU 45 -6.979 -9.593 7.739 340 HG3 GLU 45 HG3 GLU 45 -5.818 -8.273 7.523 341 H PHE 46 HN PHE 46 -4.394 -8.818 3.147 342 HA PHE 46 HA PHE 46 -6.435 -9.359 1.080 343 HB2 PHE 46 HB2 PHE 46 -4.025 -7.540 1.162 344 HB3 PHE 46 HB3 PHE 46 -4.759 -8.040 -0.353 345 HD1 PHE 46 HD1 PHE 46 -7.089 -7.441 -0.962 346 HD2 PHE 46 HD2 PHE 46 -5.236 -5.975 2.641 347 HE1 PHE 46 HE1 PHE 46 -8.865 -5.755 -0.742 348 HE2 PHE 46 HE2 PHE 46 -7.029 -4.286 2.872 349 HZ PHE 46 HZ PHE 46 -8.853 -4.148 1.170 350 H ASN 47 HN ASN 47 -6.122 -10.634 -0.493 351 HA ASN 47 HA ASN 47 -3.966 -12.615 -0.671 352 HB2 ASN 47 HB2 ASN 47 -5.053 -13.412 -2.639 353 HB3 ASN 47 HB3 ASN 47 -6.332 -13.062 -1.520 354 HD21 ASN 47 HD21 ASN 47 -7.569 -10.923 -1.917 355 HD22 ASN 47 HD22 ASN 47 -7.587 -10.354 -3.583 356 H GLU 48 HN GLU 48 -3.043 -12.779 -2.941 357 HA GLU 48 HA GLU 48 -1.165 -10.787 -3.252 358 HB2 GLU 48 HB2 GLU 48 -1.337 -13.290 -4.197 359 HB3 GLU 48 HB3 GLU 48 -1.944 -12.478 -5.653 360 HG2 GLU 48 HG2 GLU 48 0.106 -10.870 -5.303 361 HG3 GLU 48 HG3 GLU 48 0.628 -12.116 -4.153 362 H ASP 49 HN ASP 49 -4.086 -11.296 -5.322 363 HA ASP 49 HA ASP 49 -3.242 -9.051 -7.012 364 HB2 ASP 49 HB2 ASP 49 -4.329 -11.126 -7.939 365 HB3 ASP 49 HB3 ASP 49 -5.831 -10.577 -7.192 366 H GLY 50 HN GLY 50 -5.499 -9.677 -4.387 367 HA2 GLY 50 HA1 GLY 50 -7.064 -7.265 -4.619 368 HA3 GLY 50 HA2 GLY 50 -6.789 -8.193 -3.131 369 H ALA 51 HN ALA 51 -4.022 -8.077 -2.808 370 HA ALA 51 HA ALA 51 -3.599 -5.442 -1.812 371 HB1 ALA 51 HB1 ALA 51 -2.431 -7.420 -0.912 372 HB2 ALA 51 HB2 ALA 51 -1.571 -7.624 -2.451 373 HB3 ALA 51 HB3 ALA 51 -1.281 -6.181 -1.450 374 H LEU 52 HN LEU 52 -2.489 -7.035 -4.864 375 HA LEU 52 HA LEU 52 -1.009 -4.762 -5.754 376 HB2 LEU 52 HB2 LEU 52 -2.073 -7.263 -7.023 377 HB3 LEU 52 HB3 LEU 52 -1.748 -5.939 -8.113 378 HG LEU 52 HG LEU 52 0.153 -7.430 -7.962 379 HD11 LEU 52 HD11 LEU 52 1.873 -5.834 -7.709 380 HD12 LEU 52 HD12 LEU 52 0.920 -4.792 -6.659 381 HD13 LEU 52 HD13 LEU 52 0.467 -4.967 -8.368 382 HD21 LEU 52 HD21 LEU 52 0.337 -6.693 -5.020 383 HD22 LEU 52 HD22 LEU 52 1.600 -7.497 -5.964 384 HD23 LEU 52 HD23 LEU 52 0.050 -8.300 -5.727 385 H ALA 53 HN ALA 53 -4.481 -5.553 -6.199 386 HA ALA 53 HA ALA 53 -4.999 -3.334 -7.916 387 HB1 ALA 53 HB1 ALA 53 -6.487 -5.304 -7.573 388 HB2 ALA 53 HB2 ALA 53 -6.893 -4.698 -5.953 389 HB3 ALA 53 HB3 ALA 53 -7.326 -3.754 -7.401 390 H VAL 54 HN VAL 54 -5.173 -3.692 -4.351 391 HA VAL 54 HA VAL 54 -5.974 -1.064 -3.717 392 HB VAL 54 HB VAL 54 -4.176 -3.032 -2.274 393 HG11 VAL 54 HG11 VAL 54 -5.432 -0.521 -1.208 394 HG12 VAL 54 HG12 VAL 54 -4.671 -1.771 -0.215 395 HG13 VAL 54 HG13 VAL 54 -3.689 -0.852 -1.350 396 HG21 VAL 54 HG21 VAL 54 -7.027 -2.276 -1.528 397 HG22 VAL 54 HG22 VAL 54 -6.727 -3.567 -2.685 398 HG23 VAL 54 HG23 VAL 54 -6.099 -3.704 -1.038 399 H LEU 55 HN LEU 55 -2.725 -2.313 -4.550 400 HA LEU 55 HA LEU 55 -1.429 0.204 -3.895 401 HB2 LEU 55 HB2 LEU 55 -0.410 -2.251 -5.390 402 HB3 LEU 55 HB3 LEU 55 0.555 -0.817 -5.072 403 HG LEU 55 HG LEU 55 -0.515 -2.785 -3.022 404 HD11 LEU 55 HD11 LEU 55 2.279 -1.862 -3.812 405 HD12 LEU 55 HD12 LEU 55 1.529 -3.418 -4.218 406 HD13 LEU 55 HD13 LEU 55 1.887 -3.025 -2.531 407 HD21 LEU 55 HD21 LEU 55 0.758 -0.072 -2.521 408 HD22 LEU 55 HD22 LEU 55 0.641 -1.373 -1.307 409 HD23 LEU 55 HD23 LEU 55 -0.825 -0.650 -1.955 410 H GLN 56 HN GLN 56 -2.492 -1.382 -6.950 411 HA GLN 56 HA GLN 56 -1.312 0.605 -8.585 412 HB2 GLN 56 HB2 GLN 56 -2.190 -0.485 -10.356 413 HB3 GLN 56 HB3 GLN 56 -2.139 -1.752 -9.151 414 HG2 GLN 56 HG2 GLN 56 -4.642 -1.214 -8.756 415 HG3 GLN 56 HG3 GLN 56 -4.550 -0.243 -10.217 416 HE21 GLN 56 HE21 GLN 56 -3.198 -3.454 -9.246 417 HE22 GLN 56 HE22 GLN 56 -3.931 -4.398 -10.506 418 H GLN 57 HN GLN 57 -4.359 0.584 -6.789 419 HA GLN 57 HA GLN 57 -5.310 3.047 -8.105 420 HB2 GLN 57 HB2 GLN 57 -6.779 1.348 -6.930 421 HB3 GLN 57 HB3 GLN 57 -6.132 1.933 -5.391 422 HG2 GLN 57 HG2 GLN 57 -6.966 4.253 -6.010 423 HG3 GLN 57 HG3 GLN 57 -7.690 3.557 -7.464 424 HE21 GLN 57 HE21 GLN 57 -9.097 1.401 -6.817 425 HE22 GLN 57 HE22 GLN 57 -10.110 1.603 -5.399 426 H PHE 58 HN PHE 58 -3.404 2.184 -5.224 427 HA PHE 58 HA PHE 58 -3.470 4.579 -3.863 428 HB2 PHE 58 HB2 PHE 58 -2.516 2.374 -3.070 429 HB3 PHE 58 HB3 PHE 58 -1.110 2.678 -4.049 430 HD1 PHE 58 HD2 PHE 58 -3.058 4.940 -1.667 431 HD2 PHE 58 HD1 PHE 58 0.676 3.016 -2.683 432 HE1 PHE 58 HE2 PHE 58 -1.875 6.217 0.132 433 HE2 PHE 58 HE1 PHE 58 1.828 4.366 -0.960 434 HZ PHE 58 HZ PHE 58 0.572 5.986 0.369 435 H LYS 59 HN LYS 59 -0.865 3.593 -6.208 436 HA LYS 59 HA LYS 59 0.493 6.107 -5.947 437 HB2 LYS 59 HB2 LYS 59 1.669 4.109 -6.740 438 HB3 LYS 59 HB3 LYS 59 0.688 4.093 -8.224 439 HG2 LYS 59 HG2 LYS 59 1.604 6.226 -8.928 440 HG3 LYS 59 HG3 LYS 59 2.452 6.448 -7.399 441 HD2 LYS 59 HD2 LYS 59 3.068 4.144 -9.269 442 HD3 LYS 59 HD3 LYS 59 3.733 5.755 -9.531 443 HE2 LYS 59 HE2 LYS 59 4.821 5.700 -7.290 444 HE3 LYS 59 HE3 LYS 59 4.182 4.088 -7.021 445 HZ1 LYS 59 HZ1 LYS 59 5.476 3.275 -8.829 446 HZ2 LYS 59 HZ2 LYS 59 6.516 4.189 -7.927 447 HZ3 LYS 59 HZ3 LYS 59 5.906 4.758 -9.339 448 H ASP 60 HN ASP 60 -2.181 5.132 -7.981 449 HA ASP 60 HA ASP 60 -1.906 7.148 -9.968 450 HB2 ASP 60 HB2 ASP 60 -4.087 5.202 -9.161 451 HB3 ASP 60 HB3 ASP 60 -4.321 6.359 -10.465 452 H SER 61 HN SER 61 -2.334 7.991 -6.929 453 HA SER 61 HA SER 61 -4.689 9.790 -7.294 454 HB2 SER 61 HB2 SER 61 -3.571 8.574 -4.762 455 HB3 SER 61 HB3 SER 61 -4.992 9.626 -4.934 456 HG SER 61 HG SER 61 -4.651 7.012 -6.056 457 H ASP 62 HN ASP 62 -4.495 11.808 -5.713 458 HA ASP 62 HA ASP 62 -1.934 13.097 -6.443 459 HB2 ASP 62 HB2 ASP 62 -3.848 14.297 -7.378 460 HB3 ASP 62 HB3 ASP 62 -4.621 14.360 -5.776 461 H LEU 63 HN LEU 63 -0.654 12.813 -4.813 462 HA LEU 63 HA LEU 63 -1.670 12.597 -2.069 463 HB2 LEU 63 HB2 LEU 63 1.041 12.148 -3.324 464 HB3 LEU 63 HB3 LEU 63 0.711 11.856 -1.627 465 HG LEU 63 HG LEU 63 -0.771 10.495 -3.904 466 HD11 LEU 63 HD11 LEU 63 1.052 8.933 -2.147 467 HD12 LEU 63 HD12 LEU 63 1.809 10.014 -3.354 468 HD13 LEU 63 HD13 LEU 63 0.631 8.821 -3.873 469 HD21 LEU 63 HD21 LEU 63 -0.874 9.943 -0.897 470 HD22 LEU 63 HD22 LEU 63 -1.526 8.872 -2.147 471 HD23 LEU 63 HD23 LEU 63 -2.213 10.473 -1.939 472 H SER 64 HN SER 64 -0.575 15.292 -3.878 473 HA SER 64 HA SER 64 1.308 16.478 -2.294 474 HB2 SER 64 HB2 SER 64 -0.815 17.422 -4.247 475 HB3 SER 64 HB3 SER 64 0.296 18.531 -3.479 476 HG SER 64 HG SER 64 0.957 16.320 -5.128 477 H HIS 65 HN HIS 65 -2.213 16.484 -1.659 478 HA HIS 65 HA HIS 65 -1.809 18.491 0.519 479 HB2 HIS 65 HB2 HIS 65 -4.250 18.247 -1.265 480 HB3 HIS 65 HB3 HIS 65 -3.850 19.545 -0.137 481 HD1 HIS 65 HD1 HIS 65 -3.393 18.537 -3.733 482 HD2 HIS 65 HD2 HIS 65 -1.580 21.088 -0.888 483 HE1 HIS 65 HE1 HIS 65 -1.912 20.142 -5.032 484 H VAL 66 HN VAL 66 -1.973 15.453 0.477 485 HA VAL 66 HA VAL 66 -4.580 14.673 1.449 486 HB VAL 66 HB VAL 66 -1.845 13.396 1.149 487 HG11 VAL 66 HG11 VAL 66 -4.275 12.018 2.356 488 HG12 VAL 66 HG12 VAL 66 -2.787 11.219 1.798 489 HG13 VAL 66 HG13 VAL 66 -2.723 12.339 3.161 490 HG21 VAL 66 HG21 VAL 66 -3.253 13.689 -0.860 491 HG22 VAL 66 HG22 VAL 66 -3.116 11.972 -0.449 492 HG23 VAL 66 HG23 VAL 66 -4.596 12.860 -0.068 493 H GLN 67 HN GLN 67 -5.067 13.934 3.584 494 HA GLN 67 HA GLN 67 -4.068 15.787 5.548 495 HB2 GLN 67 HB2 GLN 67 -6.475 14.691 5.204 496 HB3 GLN 67 HB3 GLN 67 -5.878 13.504 6.359 497 HG2 GLN 67 HG2 GLN 67 -5.725 16.524 6.813 498 HG3 GLN 67 HG3 GLN 67 -7.124 15.574 7.248 499 HE21 GLN 67 HE21 GLN 67 -3.678 16.193 8.013 500 HE22 GLN 67 HE22 GLN 67 -3.802 15.568 9.639 501 H ASN 68 HN ASN 68 -4.138 12.170 5.536 502 HA ASN 68 HA ASN 68 -1.385 12.257 6.601 503 HB2 ASN 68 HB2 ASN 68 -3.550 10.360 7.594 504 HB3 ASN 68 HB3 ASN 68 -1.818 10.043 7.723 505 HD21 ASN 68 HD21 ASN 68 -4.478 11.931 8.978 506 HD22 ASN 68 HD22 ASN 68 -3.527 12.664 10.261 507 H LYS 69 HN LYS 69 -0.113 11.049 5.365 508 HA LYS 69 HA LYS 69 -1.133 9.742 3.028 509 HB2 LYS 69 HB2 LYS 69 1.494 9.338 4.510 510 HB3 LYS 69 HB3 LYS 69 1.156 8.838 2.857 511 HG2 LYS 69 HG2 LYS 69 1.460 11.683 3.880 512 HG3 LYS 69 HG3 LYS 69 2.444 10.822 2.700 513 HD2 LYS 69 HD2 LYS 69 0.155 10.660 1.363 514 HD3 LYS 69 HD3 LYS 69 -0.292 12.046 2.361 515 HE2 LYS 69 HE2 LYS 69 2.169 11.851 0.570 516 HE3 LYS 69 HE3 LYS 69 0.619 12.556 0.100 517 HZ1 LYS 69 HZ1 LYS 69 2.317 13.640 2.234 518 HZ2 LYS 69 HZ2 LYS 69 0.896 14.296 1.651 519 HZ3 LYS 69 HZ3 LYS 69 2.212 14.198 0.713 520 H SER 70 HN SER 70 -0.821 8.643 6.355 521 HA SER 70 HA SER 70 -1.078 5.842 5.750 522 HB2 SER 70 HB2 SER 70 -1.376 5.533 8.074 523 HB3 SER 70 HB3 SER 70 -0.042 6.659 7.847 524 HG SER 70 HG SER 70 -1.656 6.928 9.511 525 H ALA 71 HN ALA 71 -3.280 8.269 7.143 526 HA ALA 71 HA ALA 71 -5.601 6.786 7.154 527 HB1 ALA 71 HB1 ALA 71 -5.479 9.745 6.454 528 HB2 ALA 71 HB2 ALA 71 -6.892 8.867 7.056 529 HB3 ALA 71 HB3 ALA 71 -5.480 9.057 8.108 530 H PHE 72 HN PHE 72 -4.209 8.439 4.327 531 HA PHE 72 HA PHE 72 -6.414 8.134 2.551 532 HB2 PHE 72 HB2 PHE 72 -4.395 9.571 2.226 533 HB3 PHE 72 HB3 PHE 72 -3.418 8.144 1.935 534 HD1 PHE 72 HD2 PHE 72 -4.109 6.599 -0.081 535 HD2 PHE 72 HD1 PHE 72 -5.555 10.627 0.470 536 HE1 PHE 72 HE2 PHE 72 -4.804 6.683 -2.464 537 HE2 PHE 72 HE1 PHE 72 -6.244 10.690 -1.903 538 HZ PHE 72 HZ PHE 72 -5.941 8.718 -3.335 539 H LEU 73 HN LEU 73 -3.571 6.117 3.209 540 HA LEU 73 HA LEU 73 -4.120 4.126 1.214 541 HB2 LEU 73 HB2 LEU 73 -1.872 4.549 2.258 542 HB3 LEU 73 HB3 LEU 73 -2.489 3.950 3.793 543 HG LEU 73 HG LEU 73 -3.026 1.750 2.581 544 HD11 LEU 73 HD11 LEU 73 -1.039 2.870 0.552 545 HD12 LEU 73 HD12 LEU 73 -2.772 2.711 0.248 546 HD13 LEU 73 HD13 LEU 73 -1.804 1.261 0.532 547 HD21 LEU 73 HD21 LEU 73 -0.124 2.548 2.750 548 HD22 LEU 73 HD22 LEU 73 -0.763 0.898 2.808 549 HD23 LEU 73 HD23 LEU 73 -1.124 2.037 4.127 550 H CYS 74 HN CYS 74 -4.584 4.261 4.701 551 HA CYS 74 HA CYS 74 -5.862 1.741 5.069 552 HB2 CYS 74 HB2 CYS 74 -4.879 3.324 6.823 553 HB3 CYS 74 HB3 CYS 74 -6.372 4.275 6.696 554 HG CYS 74 HG CYS 74 -6.108 1.023 7.345 555 H GLY 75 HN GLY 75 -7.206 4.831 3.883 556 HA2 GLY 75 HA1 GLY 75 -9.980 4.156 4.172 557 HA3 GLY 75 HA2 GLY 75 -9.287 5.349 3.073 558 H VAL 76 HN VAL 76 -7.700 3.899 1.370 559 HA VAL 76 HA VAL 76 -9.583 2.796 -0.414 560 HB VAL 76 HB VAL 76 -6.565 2.605 -0.371 561 HG11 VAL 76 HG11 VAL 76 -6.909 2.273 -2.932 562 HG12 VAL 76 HG12 VAL 76 -7.226 0.884 -1.885 563 HG13 VAL 76 HG13 VAL 76 -8.575 1.859 -2.529 564 HG21 VAL 76 HG21 VAL 76 -7.400 4.930 -0.518 565 HG22 VAL 76 HG22 VAL 76 -6.636 4.420 -2.029 566 HG23 VAL 76 HG23 VAL 76 -8.407 4.472 -1.907 567 H MET 77 HN MET 77 -7.440 1.082 1.920 568 HA MET 77 HA MET 77 -7.962 -1.556 1.029 569 HB2 MET 77 HB2 MET 77 -7.598 -0.528 3.882 570 HB3 MET 77 HB3 MET 77 -7.638 -2.228 3.419 571 HG2 MET 77 HG2 MET 77 -5.739 -1.749 1.809 572 HG3 MET 77 HG3 MET 77 -5.637 -0.163 2.585 573 HE1 MET 77 HE1 MET 77 -3.089 -1.809 2.348 574 HE2 MET 77 HE2 MET 77 -3.200 -0.295 3.271 575 HE3 MET 77 HE3 MET 77 -2.431 -1.720 4.001 576 H LYS 78 HN LYS 78 -9.900 0.535 3.123 577 HA LYS 78 HA LYS 78 -11.759 -1.437 3.992 578 HB2 LYS 78 HB2 LYS 78 -11.375 1.486 4.229 579 HB3 LYS 78 HB3 LYS 78 -13.072 1.077 4.016 580 HG2 LYS 78 HG2 LYS 78 -12.550 1.174 6.359 581 HG3 LYS 78 HG3 LYS 78 -12.995 -0.478 5.926 582 HD2 LYS 78 HD2 LYS 78 -10.699 -1.212 6.010 583 HD3 LYS 78 HD3 LYS 78 -10.100 0.436 6.027 584 HE2 LYS 78 HE2 LYS 78 -11.597 0.547 8.260 585 HE3 LYS 78 HE3 LYS 78 -11.321 -1.206 8.239 586 HZ1 LYS 78 HZ1 LYS 78 -9.585 -0.109 9.490 587 HZ2 LYS 78 HZ2 LYS 78 -9.264 0.914 8.231 588 HZ3 LYS 78 HZ3 LYS 78 -8.941 -0.705 8.123 589 H THR 79 HN THR 79 -12.055 0.915 1.272 590 HA THR 79 HA THR 79 -14.558 -0.223 0.443 591 HB THR 79 HB THR 79 -14.082 2.062 -0.048 592 HG1 THR 79 HG1 THR 79 -15.264 0.878 -1.681 593 HG21 THR 79 HG21 THR 79 -12.331 2.815 -1.568 594 HG22 THR 79 HG22 THR 79 -11.714 1.154 -1.722 595 HG23 THR 79 HG23 THR 79 -11.647 2.029 -0.170 596 H TYR 80 HN TYR 80 -11.113 -1.014 -0.597 597 HA TYR 80 HA TYR 80 -12.054 -2.815 -2.619 598 HB2 TYR 80 HB2 TYR 80 -9.508 -2.533 -1.028 599 HB3 TYR 80 HB3 TYR 80 -9.792 -4.044 -1.871 600 HD1 TYR 80 HD1 TYR 80 -10.323 -4.095 -4.326 601 HD2 TYR 80 HD2 TYR 80 -8.816 -0.623 -2.296 602 HE1 TYR 80 HE1 TYR 80 -9.430 -3.250 -6.472 603 HE2 TYR 80 HE2 TYR 80 -7.859 0.225 -4.447 604 HH TYR 80 HH TYR 80 -7.005 -1.039 -6.656 605 H ARG 81 HN ARG 81 -11.760 -3.246 0.928 606 HA ARG 81 HA ARG 81 -12.345 -6.092 0.840 607 HB2 ARG 81 HB2 ARG 81 -12.092 -3.962 2.927 608 HB3 ARG 81 HB3 ARG 81 -13.237 -5.225 3.334 609 HG2 ARG 81 HG2 ARG 81 -10.350 -5.732 2.513 610 HG3 ARG 81 HG3 ARG 81 -10.918 -5.633 4.179 611 HD2 ARG 81 HD2 ARG 81 -11.914 -7.674 2.147 612 HD3 ARG 81 HD3 ARG 81 -10.648 -7.981 3.319 613 HE ARG 81 HE ARG 81 -13.540 -7.584 3.845 614 HH11 ARG 81 HH11 ARG 81 -10.327 -8.134 5.358 615 HH12 ARG 81 HH12 ARG 81 -11.023 -8.956 6.706 616 HH21 ARG 81 HH21 ARG 81 -14.371 -8.514 5.804 617 HH22 ARG 81 HH22 ARG 81 -13.235 -9.070 7.009 618 H GLN 82 HN GLN 82 -14.325 -3.165 0.756 619 HA GLN 82 HA GLN 82 -16.740 -4.808 0.365 620 HB2 GLN 82 HB2 GLN 82 -16.107 -2.679 2.430 621 HB3 GLN 82 HB3 GLN 82 -17.702 -2.738 1.751 622 HG2 GLN 82 HG2 GLN 82 -16.288 -4.993 3.227 623 HG3 GLN 82 HG3 GLN 82 -17.600 -4.003 3.837 624 HE21 GLN 82 HE21 GLN 82 -19.774 -4.161 2.385 625 HE22 GLN 82 HE22 GLN 82 -20.062 -5.757 1.661 626 H ARG 83 HN ARG 83 -16.231 -4.335 -1.916 627 HA ARG 83 HA ARG 83 -17.707 -1.910 -2.682 628 HB2 ARG 83 HB2 ARG 83 -15.562 -1.231 -3.310 629 HB3 ARG 83 HB3 ARG 83 -15.018 -2.865 -3.703 630 HG2 ARG 83 HG2 ARG 83 -16.039 -2.906 -5.730 631 HG3 ARG 83 HG3 ARG 83 -17.278 -1.701 -5.276 632 HD2 ARG 83 HD2 ARG 83 -15.422 0.019 -5.367 633 HD3 ARG 83 HD3 ARG 83 -14.410 -1.244 -6.111 634 HE ARG 83 HE ARG 83 -17.047 -0.907 -7.343 635 HH11 ARG 83 HH11 ARG 83 -13.734 0.289 -7.422 636 HH12 ARG 83 HH12 ARG 83 -13.841 0.958 -9.016 637 HH21 ARG 83 HH21 ARG 83 -17.276 0.011 -9.370 638 HH22 ARG 83 HH22 ARG 83 -15.924 0.779 -10.158 639 H GLU 84 HN GLU 84 -19.455 -3.276 -2.431 640 HA GLU 84 HA GLU 84 -19.913 -5.070 -4.742 641 HB2 GLU 84 HB2 GLU 84 -21.161 -6.554 -3.343 642 HB3 GLU 84 HB3 GLU 84 -19.509 -6.467 -2.743 643 HG2 GLU 84 HG2 GLU 84 -20.227 -5.017 -0.891 644 HG3 GLU 84 HG3 GLU 84 -21.875 -4.944 -1.528 645 H LYS 85 HN LYS 85 -22.207 -5.334 -5.074 646 HA LYS 85 HA LYS 85 -24.352 -4.829 -5.323 647 HB2 LYS 85 HB2 LYS 85 -24.054 -2.531 -3.389 648 HB3 LYS 85 HB3 LYS 85 -25.532 -2.981 -4.209 649 HG2 LYS 85 HG2 LYS 85 -24.030 -4.734 -2.204 650 HG3 LYS 85 HG3 LYS 85 -25.483 -3.794 -1.907 651 HD2 LYS 85 HD2 LYS 85 -26.436 -5.851 -2.268 652 HD3 LYS 85 HD3 LYS 85 -26.501 -5.178 -3.901 653 HE2 LYS 85 HE2 LYS 85 -24.143 -6.367 -4.169 654 HE3 LYS 85 HE3 LYS 85 -24.626 -7.273 -2.740 655 HZ1 LYS 85 HZ1 LYS 85 -25.203 -8.362 -4.843 656 HZ2 LYS 85 HZ2 LYS 85 -26.170 -7.124 -5.265 657 HZ3 LYS 85 HZ3 LYS 85 -26.530 -8.070 -3.935 Start of MODEL 6 1 H1 GLY 1 HN GLY 1 16.170 -2.753 -7.495 2 HA2 GLY 1 HA1 GLY 1 14.027 -0.840 -6.767 3 HA3 GLY 1 HA2 GLY 1 14.227 -2.455 -6.050 4 H SER 2 HN SER 2 14.115 -0.069 -4.562 5 HA SER 2 HA SER 2 16.885 0.582 -3.775 6 HB2 SER 2 HB2 SER 2 14.467 2.001 -3.724 7 HB3 SER 2 HB3 SER 2 14.683 1.534 -2.044 8 HG SER 2 HG SER 2 16.457 2.927 -3.744 9 H GLU 3 HN GLU 3 17.007 0.724 -1.260 10 HA GLU 3 HA GLU 3 17.233 -1.914 -0.291 11 HB2 GLU 3 HB2 GLU 3 17.847 -1.009 1.805 12 HB3 GLU 3 HB3 GLU 3 18.588 -0.081 0.497 13 HG2 GLU 3 HG2 GLU 3 17.593 1.854 1.065 14 HG3 GLU 3 HG3 GLU 3 16.045 1.124 1.421 15 H ASN 4 HN ASN 4 14.546 0.359 -0.054 16 HA ASN 4 HA ASN 4 13.095 -0.567 2.051 17 HB2 ASN 4 HB2 ASN 4 11.149 0.392 1.123 18 HB3 ASN 4 HB3 ASN 4 12.501 1.412 0.629 19 HD21 ASN 4 HD21 ASN 4 12.734 1.750 -1.666 20 HD22 ASN 4 HD22 ASN 4 12.027 0.671 -2.868 21 H PHE 5 HN PHE 5 13.349 -2.182 -1.095 22 HA PHE 5 HA PHE 5 11.082 -3.781 -1.061 23 HB2 PHE 5 HB2 PHE 5 12.664 -3.514 -2.926 24 HB3 PHE 5 HB3 PHE 5 13.896 -4.395 -2.054 25 HD1 PHE 5 HD1 PHE 5 10.339 -4.864 -3.229 26 HD2 PHE 5 HD2 PHE 5 14.178 -6.681 -2.449 27 HE1 PHE 5 HE1 PHE 5 9.528 -7.026 -4.160 28 HE2 PHE 5 HE2 PHE 5 13.371 -8.816 -3.391 29 HZ PHE 5 HZ PHE 5 11.050 -8.982 -4.299 30 H GLN 6 HN GLN 6 14.196 -4.392 0.432 31 HA GLN 6 HA GLN 6 13.678 -7.004 1.379 32 HB2 GLN 6 HB2 GLN 6 15.937 -6.004 1.132 33 HB3 GLN 6 HB3 GLN 6 15.607 -4.912 2.487 34 HG2 GLN 6 HG2 GLN 6 16.984 -6.804 3.208 35 HG3 GLN 6 HG3 GLN 6 15.411 -6.865 4.000 36 HE21 GLN 6 HE21 GLN 6 13.981 -8.581 3.521 37 HE22 GLN 6 HE22 GLN 6 14.399 -9.957 2.554 38 H THR 7 HN THR 7 13.224 -3.829 3.061 39 HA THR 7 HA THR 7 12.485 -5.135 5.541 40 HB THR 7 HB THR 7 13.506 -2.970 5.623 41 HG1 THR 7 HG1 THR 7 12.367 -2.971 7.299 42 HG21 THR 7 HG21 THR 7 12.911 -1.947 3.608 43 HG22 THR 7 HG22 THR 7 12.406 -0.909 4.929 44 HG23 THR 7 HG23 THR 7 11.182 -1.876 4.057 45 H LEU 8 HN LEU 8 10.677 -4.060 2.655 46 HA LEU 8 HA LEU 8 8.063 -4.399 3.832 47 HB2 LEU 8 HB2 LEU 8 9.176 -4.511 1.029 48 HB3 LEU 8 HB3 LEU 8 7.532 -4.985 1.334 49 HG LEU 8 HG LEU 8 6.773 -2.867 1.705 50 HD11 LEU 8 HD11 LEU 8 7.996 -0.886 2.397 51 HD12 LEU 8 HD12 LEU 8 9.514 -1.789 2.447 52 HD13 LEU 8 HD13 LEU 8 8.208 -2.164 3.590 53 HD21 LEU 8 HD21 LEU 8 7.685 -3.011 -0.587 54 HD22 LEU 8 HD22 LEU 8 9.249 -2.421 -0.014 55 HD23 LEU 8 HD23 LEU 8 7.852 -1.353 0.039 56 H LEU 9 HN LEU 9 10.252 -6.629 2.072 57 HA LEU 9 HA LEU 9 8.562 -8.942 2.289 58 HB2 LEU 9 HB2 LEU 9 11.512 -8.457 1.739 59 HB3 LEU 9 HB3 LEU 9 10.889 -10.077 1.905 60 HG LEU 9 HG LEU 9 9.904 -8.074 -0.166 61 HD11 LEU 9 HD11 LEU 9 11.699 -10.528 -0.443 62 HD12 LEU 9 HD12 LEU 9 12.223 -8.824 -0.540 63 HD13 LEU 9 HD13 LEU 9 11.126 -9.503 -1.752 64 HD21 LEU 9 HD21 LEU 9 9.020 -10.291 -1.216 65 HD22 LEU 9 HD22 LEU 9 8.091 -9.585 0.133 66 HD23 LEU 9 HD23 LEU 9 9.151 -10.970 0.403 67 H ASP 10 HN ASP 10 10.486 -7.377 4.664 68 HA ASP 10 HA ASP 10 10.760 -9.701 6.474 69 HB2 ASP 10 HB2 ASP 10 12.488 -7.905 6.250 70 HB3 ASP 10 HB3 ASP 10 11.340 -6.732 6.846 71 H ALA 11 HN ALA 11 8.906 -6.726 6.143 72 HA ALA 11 HA ALA 11 7.489 -6.728 8.605 73 HB1 ALA 11 HB1 ALA 11 6.972 -5.316 5.955 74 HB2 ALA 11 HB2 ALA 11 6.281 -4.858 7.526 75 HB3 ALA 11 HB3 ALA 11 8.024 -4.731 7.263 76 H GLY 12 HN GLY 12 7.256 -9.138 6.771 77 HA2 GLY 12 HA1 GLY 12 5.847 -10.806 6.476 78 HA3 GLY 12 HA2 GLY 12 4.630 -9.945 7.419 79 H LEU 13 HN LEU 13 5.830 -8.257 4.599 80 HA LEU 13 HA LEU 13 3.195 -8.539 3.339 81 HB2 LEU 13 HB2 LEU 13 5.596 -6.872 2.518 82 HB3 LEU 13 HB3 LEU 13 4.003 -6.780 1.807 83 HG LEU 13 HG LEU 13 4.466 -6.223 4.777 84 HD11 LEU 13 HD11 LEU 13 4.261 -4.067 2.668 85 HD12 LEU 13 HD12 LEU 13 5.815 -4.656 3.307 86 HD13 LEU 13 HD13 LEU 13 4.624 -3.901 4.383 87 HD21 LEU 13 HD21 LEU 13 2.237 -5.527 2.822 88 HD22 LEU 13 HD22 LEU 13 2.310 -4.996 4.520 89 HD23 LEU 13 HD23 LEU 13 2.140 -6.718 4.140 90 HA PRO 14 HA PRO 14 4.785 -11.521 0.425 91 HB2 PRO 14 HB2 PRO 14 3.016 -11.166 -1.677 92 HB3 PRO 14 HB3 PRO 14 2.654 -12.107 -0.235 93 HG2 PRO 14 HG2 PRO 14 1.806 -9.337 -0.867 94 HG3 PRO 14 HG3 PRO 14 0.927 -10.610 0.038 95 HD2 PRO 14 HD2 PRO 14 2.224 -8.474 1.208 96 HD3 PRO 14 HD3 PRO 14 1.973 -10.048 2.016 97 H GLN 15 HN GLN 15 5.459 -11.684 -1.968 98 HA GLN 15 HA GLN 15 7.429 -9.631 -2.406 99 HB2 GLN 15 HB2 GLN 15 7.882 -12.012 -2.707 100 HB3 GLN 15 HB3 GLN 15 6.596 -12.170 -3.908 101 HG2 GLN 15 HG2 GLN 15 7.739 -10.806 -5.502 102 HG3 GLN 15 HG3 GLN 15 8.884 -10.204 -4.313 103 HE21 GLN 15 HE21 GLN 15 9.821 -11.270 -6.725 104 HE22 GLN 15 HE22 GLN 15 10.395 -12.903 -6.464 105 H LYS 16 HN LYS 16 4.497 -10.800 -4.276 106 HA LYS 16 HA LYS 16 5.116 -9.118 -6.262 107 HB2 LYS 16 HB2 LYS 16 3.167 -11.020 -5.754 108 HB3 LYS 16 HB3 LYS 16 2.155 -9.596 -5.838 109 HG2 LYS 16 HG2 LYS 16 4.270 -10.124 -7.947 110 HG3 LYS 16 HG3 LYS 16 2.771 -11.038 -7.910 111 HD2 LYS 16 HD2 LYS 16 1.463 -8.991 -8.264 112 HD3 LYS 16 HD3 LYS 16 2.993 -8.034 -8.290 113 HE2 LYS 16 HE2 LYS 16 3.859 -9.578 -10.018 114 HE3 LYS 16 HE3 LYS 16 2.306 -10.428 -10.042 115 HZ1 LYS 16 HZ1 LYS 16 2.450 -8.887 -11.878 116 HZ2 LYS 16 HZ2 LYS 16 2.763 -7.617 -10.925 117 HZ3 LYS 16 HZ3 LYS 16 1.291 -8.308 -10.878 118 H VAL 17 HN VAL 17 3.134 -8.479 -3.419 119 HA VAL 17 HA VAL 17 2.335 -5.822 -4.034 120 HB VAL 17 HB VAL 17 2.830 -7.342 -1.435 121 HG11 VAL 17 HG11 VAL 17 1.416 -5.743 -0.260 122 HG12 VAL 17 HG12 VAL 17 2.865 -4.968 -0.884 123 HG13 VAL 17 HG13 VAL 17 1.313 -4.721 -1.708 124 HG21 VAL 17 HG21 VAL 17 0.270 -6.613 -2.912 125 HG22 VAL 17 HG22 VAL 17 1.008 -8.216 -2.930 126 HG23 VAL 17 HG23 VAL 17 0.385 -7.569 -1.413 127 H ALA 18 HN ALA 18 5.157 -6.986 -2.018 128 HA ALA 18 HA ALA 18 6.410 -4.582 -1.634 129 HB1 ALA 18 HB1 ALA 18 7.797 -7.245 -2.140 130 HB2 ALA 18 HB2 ALA 18 8.480 -5.855 -1.284 131 HB3 ALA 18 HB3 ALA 18 7.105 -6.732 -0.590 132 H GLU 19 HN GLU 19 6.813 -6.615 -4.524 133 HA GLU 19 HA GLU 19 8.872 -5.176 -5.796 134 HB2 GLU 19 HB2 GLU 19 6.513 -6.803 -6.840 135 HB3 GLU 19 HB3 GLU 19 7.551 -5.909 -7.927 136 HG2 GLU 19 HG2 GLU 19 9.420 -7.317 -6.410 137 HG3 GLU 19 HG3 GLU 19 8.075 -8.458 -6.565 138 H LYS 20 HN LYS 20 5.312 -4.654 -6.040 139 HA LYS 20 HA LYS 20 5.708 -2.330 -7.810 140 HB2 LYS 20 HB2 LYS 20 3.307 -3.597 -6.467 141 HB3 LYS 20 HB3 LYS 20 3.203 -2.006 -7.217 142 HG2 LYS 20 HG2 LYS 20 2.425 -3.665 -8.742 143 HG3 LYS 20 HG3 LYS 20 3.869 -2.906 -9.401 144 HD2 LYS 20 HD2 LYS 20 4.130 -5.489 -7.876 145 HD3 LYS 20 HD3 LYS 20 3.389 -5.568 -9.442 146 HE2 LYS 20 HE2 LYS 20 6.152 -4.368 -8.962 147 HE3 LYS 20 HE3 LYS 20 5.855 -6.068 -9.356 148 HZ1 LYS 20 HZ1 LYS 20 5.246 -3.759 -11.073 149 HZ2 LYS 20 HZ2 LYS 20 4.786 -5.320 -11.402 150 HZ3 LYS 20 HZ3 LYS 20 6.370 -4.906 -11.329 151 H LEU 21 HN LEU 21 5.443 -2.892 -4.321 152 HA LEU 21 HA LEU 21 4.793 -0.183 -3.681 153 HB2 LEU 21 HB2 LEU 21 5.370 -2.665 -2.231 154 HB3 LEU 21 HB3 LEU 21 6.239 -1.328 -1.528 155 HG LEU 21 HG LEU 21 3.689 -0.265 -1.996 156 HD11 LEU 21 HD11 LEU 21 2.948 -2.727 -2.241 157 HD12 LEU 21 HD12 LEU 21 2.111 -1.782 -0.992 158 HD13 LEU 21 HD13 LEU 21 3.398 -2.902 -0.531 159 HD21 LEU 21 HD21 LEU 21 4.609 0.507 -0.273 160 HD22 LEU 21 HD22 LEU 21 5.156 -1.043 0.442 161 HD23 LEU 21 HD23 LEU 21 3.441 -0.518 0.534 162 H ASP 22 HN ASP 22 7.844 -1.889 -4.067 163 HA ASP 22 HA ASP 22 9.675 -0.029 -3.136 164 HB2 ASP 22 HB2 ASP 22 10.470 -2.128 -3.829 165 HB3 ASP 22 HB3 ASP 22 9.714 -2.003 -5.407 166 H GLU 23 HN GLU 23 8.120 -0.026 -6.248 167 HA GLU 23 HA GLU 23 9.365 2.300 -7.383 168 HB2 GLU 23 HB2 GLU 23 7.017 0.509 -7.837 169 HB3 GLU 23 HB3 GLU 23 6.901 2.082 -8.590 170 HG2 GLU 23 HG2 GLU 23 9.527 0.693 -8.925 171 HG3 GLU 23 HG3 GLU 23 8.154 -0.003 -9.796 172 H ILE 24 HN ILE 24 6.948 2.069 -4.814 173 HA ILE 24 HA ILE 24 5.928 4.712 -5.414 174 HB ILE 24 HB ILE 24 5.689 3.159 -2.802 175 HG12 ILE 24 HG12 ILE 24 4.093 3.061 -5.379 176 HG13 ILE 24 HG13 ILE 24 4.848 1.719 -4.590 177 HG21 ILE 24 HG21 ILE 24 3.805 4.594 -2.384 178 HG22 ILE 24 HG22 ILE 24 5.150 5.637 -2.869 179 HG23 ILE 24 HG23 ILE 24 3.871 5.262 -4.024 180 HD11 ILE 24 HD11 ILE 24 2.341 3.170 -3.734 181 HD12 ILE 24 HD12 ILE 24 2.503 1.511 -4.309 182 HD13 ILE 24 HD13 ILE 24 3.187 1.956 -2.720 183 H TYR 25 HN TYR 25 8.397 3.155 -3.342 184 HA TYR 25 HA TYR 25 9.050 5.622 -1.962 185 HB2 TYR 25 HB2 TYR 25 10.360 2.899 -1.895 186 HB3 TYR 25 HB3 TYR 25 10.632 4.198 -0.740 187 HD1 TYR 25 HD1 TYR 25 8.364 5.227 0.281 188 HD2 TYR 25 HD2 TYR 25 8.716 1.283 -1.407 189 HE1 TYR 25 HE1 TYR 25 6.307 4.528 1.501 190 HE2 TYR 25 HE2 TYR 25 6.600 0.643 -0.377 191 HH TYR 25 HH TYR 25 5.267 2.347 2.310 192 H VAL 26 HN VAL 26 10.193 4.159 -4.883 193 HA VAL 26 HA VAL 26 12.721 5.646 -4.850 194 HB VAL 26 HB VAL 26 11.245 4.093 -6.998 195 HG11 VAL 26 HG11 VAL 26 14.024 5.353 -7.073 196 HG12 VAL 26 HG12 VAL 26 13.523 4.069 -8.172 197 HG13 VAL 26 HG13 VAL 26 12.684 5.617 -8.205 198 HG21 VAL 26 HG21 VAL 26 12.805 2.315 -6.576 199 HG22 VAL 26 HG22 VAL 26 13.797 3.343 -5.506 200 HG23 VAL 26 HG23 VAL 26 12.206 2.785 -4.997 201 H ALA 27 HN ALA 27 9.396 6.378 -5.561 202 HA ALA 27 HA ALA 27 9.978 8.159 -7.794 203 HB1 ALA 27 HB1 ALA 27 8.085 6.598 -7.762 204 HB2 ALA 27 HB2 ALA 27 7.396 7.408 -6.352 205 HB3 ALA 27 HB3 ALA 27 7.520 8.269 -7.914 206 H GLY 28 HN GLY 28 10.625 8.824 -4.704 207 HA2 GLY 28 HA1 GLY 28 10.665 10.700 -3.431 208 HA3 GLY 28 HA2 GLY 28 10.193 11.621 -4.866 209 H LEU 29 HN LEU 29 7.831 9.294 -4.262 210 HA LEU 29 HA LEU 29 5.917 11.332 -3.532 211 HB2 LEU 29 HB2 LEU 29 5.556 8.311 -3.774 212 HB3 LEU 29 HB3 LEU 29 4.263 9.510 -3.704 213 HG LEU 29 HG LEU 29 6.383 9.348 -5.885 214 HD11 LEU 29 HD11 LEU 29 3.450 8.717 -6.178 215 HD12 LEU 29 HD12 LEU 29 4.700 7.489 -5.854 216 HD13 LEU 29 HD13 LEU 29 4.752 8.461 -7.348 217 HD21 LEU 29 HD21 LEU 29 3.931 11.113 -5.657 218 HD22 LEU 29 HD22 LEU 29 4.928 10.932 -7.122 219 HD23 LEU 29 HD23 LEU 29 5.631 11.649 -5.682 220 H VAL 30 HN VAL 30 6.723 8.226 -1.919 221 HA VAL 30 HA VAL 30 6.553 9.649 0.704 222 HB VAL 30 HB VAL 30 5.491 7.535 1.609 223 HG11 VAL 30 HG11 VAL 30 3.237 8.220 1.008 224 HG12 VAL 30 HG12 VAL 30 4.264 9.656 1.232 225 HG13 VAL 30 HG13 VAL 30 3.833 9.117 -0.402 226 HG21 VAL 30 HG21 VAL 30 4.330 6.035 0.167 227 HG22 VAL 30 HG22 VAL 30 4.651 7.024 -1.255 228 HG23 VAL 30 HG23 VAL 30 5.975 6.123 -0.480 229 H ALA 31 HN ALA 31 7.298 7.643 2.415 230 HA ALA 31 HA ALA 31 9.995 6.732 1.587 231 HB1 ALA 31 HB1 ALA 31 10.644 7.236 3.981 232 HB2 ALA 31 HB2 ALA 31 10.329 8.688 3.025 233 HB3 ALA 31 HB3 ALA 31 9.113 8.102 4.182 234 H HIS 32 HN HIS 32 10.531 4.699 2.697 235 HA HIS 32 HA HIS 32 8.403 2.944 2.901 236 HB2 HIS 32 HB2 HIS 32 9.930 1.308 3.674 237 HB3 HIS 32 HB3 HIS 32 10.799 2.357 2.561 238 HD1 HIS 32 HD1 HIS 32 11.007 0.998 6.022 239 HD2 HIS 32 HD2 HIS 32 12.446 4.306 3.839 240 HE1 HIS 32 HE1 HIS 32 12.932 2.016 7.396 241 H SER 33 HN SER 33 9.362 5.128 5.434 242 HA SER 33 HA SER 33 7.780 3.613 7.443 243 HB2 SER 33 HB2 SER 33 10.071 4.011 8.042 244 HB3 SER 33 HB3 SER 33 9.893 5.743 7.748 245 HG SER 33 HG SER 33 8.607 5.931 9.477 246 H ASP 34 HN ASP 34 6.760 5.670 5.085 247 HA ASP 34 HA ASP 34 5.662 7.822 6.501 248 HB2 ASP 34 HB2 ASP 34 4.557 8.273 4.524 249 HB3 ASP 34 HB3 ASP 34 6.016 7.510 3.972 250 H LEU 35 HN LEU 35 4.708 4.496 6.492 251 HA LEU 35 HA LEU 35 1.854 5.069 6.784 252 HB2 LEU 35 HB2 LEU 35 3.415 2.478 6.635 253 HB3 LEU 35 HB3 LEU 35 1.661 2.543 6.840 254 HG LEU 35 HG LEU 35 3.223 3.640 4.491 255 HD11 LEU 35 HD11 LEU 35 3.113 1.211 4.552 256 HD12 LEU 35 HD12 LEU 35 2.184 1.867 3.202 257 HD13 LEU 35 HD13 LEU 35 1.344 1.284 4.661 258 HD21 LEU 35 HD21 LEU 35 0.236 3.721 5.004 259 HD22 LEU 35 HD22 LEU 35 1.000 4.022 3.430 260 HD23 LEU 35 HD23 LEU 35 1.363 5.105 4.732 261 H ASP 36 HN ASP 36 0.642 3.711 8.450 262 HA ASP 36 HA ASP 36 1.933 3.978 11.122 263 HB2 ASP 36 HB2 ASP 36 -1.030 3.735 10.482 264 HB3 ASP 36 HB3 ASP 36 -0.296 3.999 12.056 265 H GLU 37 HN GLU 37 1.483 2.070 12.525 266 HA GLU 37 HA GLU 37 1.733 -0.429 11.105 267 HB2 GLU 37 HB2 GLU 37 2.792 -0.134 13.231 268 HB3 GLU 37 HB3 GLU 37 1.251 0.110 14.055 269 HG2 GLU 37 HG2 GLU 37 0.631 -2.152 13.837 270 HG3 GLU 37 HG3 GLU 37 1.687 -2.419 12.436 271 H ARG 38 HN ARG 38 -0.964 1.351 12.455 272 HA ARG 38 HA ARG 38 -3.034 -0.539 12.239 273 HB2 ARG 38 HB2 ARG 38 -2.898 2.456 11.944 274 HB3 ARG 38 HB3 ARG 38 -4.420 1.635 11.679 275 HG2 ARG 38 HG2 ARG 38 -2.887 1.112 14.252 276 HG3 ARG 38 HG3 ARG 38 -3.773 2.603 14.034 277 HD2 ARG 38 HD2 ARG 38 -5.437 1.503 14.991 278 HD3 ARG 38 HD3 ARG 38 -5.786 1.003 13.336 279 HE ARG 38 HE ARG 38 -3.997 -0.887 14.465 280 HH11 ARG 38 HH11 ARG 38 -7.411 0.063 14.664 281 HH12 ARG 38 HH12 ARG 38 -7.840 -1.200 15.752 282 HH21 ARG 38 HH21 ARG 38 -4.617 -2.769 15.550 283 HH22 ARG 38 HH22 ARG 38 -6.254 -3.046 16.001 284 H ALA 39 HN ALA 39 -1.208 0.926 9.664 285 HA ALA 39 HA ALA 39 -3.196 0.197 7.596 286 HB1 ALA 39 HB1 ALA 39 -2.043 2.430 7.497 287 HB2 ALA 39 HB2 ALA 39 -0.497 1.573 7.284 288 HB3 ALA 39 HB3 ALA 39 -1.768 1.406 6.070 289 H ILE 40 HN ILE 40 0.187 -0.579 8.648 290 HA ILE 40 HA ILE 40 0.757 -2.423 6.574 291 HB ILE 40 HB ILE 40 1.748 -2.641 9.439 292 HG12 ILE 40 HG12 ILE 40 2.243 -0.378 8.784 293 HG13 ILE 40 HG13 ILE 40 3.712 -1.323 8.765 294 HG21 ILE 40 HG21 ILE 40 3.751 -3.673 8.351 295 HG22 ILE 40 HG22 ILE 40 2.280 -4.601 8.095 296 HG23 ILE 40 HG23 ILE 40 2.923 -3.611 6.787 297 HD11 ILE 40 HD11 ILE 40 3.603 -1.468 6.269 298 HD12 ILE 40 HD12 ILE 40 2.129 -0.465 6.311 299 HD13 ILE 40 HD13 ILE 40 3.679 0.192 6.868 300 H GLU 41 HN GLU 41 -0.849 -2.953 9.735 301 HA GLU 41 HA GLU 41 -1.373 -5.695 9.640 302 HB2 GLU 41 HB2 GLU 41 -1.989 -4.135 11.499 303 HB3 GLU 41 HB3 GLU 41 -3.138 -3.345 10.438 304 HG2 GLU 41 HG2 GLU 41 -4.515 -4.674 11.705 305 HG3 GLU 41 HG3 GLU 41 -4.389 -5.657 10.284 306 H ALA 42 HN ALA 42 -3.190 -3.035 8.055 307 HA ALA 42 HA ALA 42 -5.370 -4.699 7.249 308 HB1 ALA 42 HB1 ALA 42 -4.494 -1.969 6.209 309 HB2 ALA 42 HB2 ALA 42 -6.075 -2.743 5.936 310 HB3 ALA 42 HB3 ALA 42 -5.577 -2.269 7.576 311 H LEU 43 HN LEU 43 -2.357 -3.620 5.585 312 HA LEU 43 HA LEU 43 -2.924 -4.725 3.080 313 HB2 LEU 43 HB2 LEU 43 -0.534 -3.823 4.576 314 HB3 LEU 43 HB3 LEU 43 -0.153 -5.101 3.452 315 HG LEU 43 HG LEU 43 -1.576 -2.530 2.778 316 HD11 LEU 43 HD11 LEU 43 1.225 -3.433 1.934 317 HD12 LEU 43 HD12 LEU 43 0.933 -2.432 3.346 318 HD13 LEU 43 HD13 LEU 43 0.496 -1.823 1.736 319 HD21 LEU 43 HD21 LEU 43 -1.177 -3.161 0.377 320 HD22 LEU 43 HD22 LEU 43 -2.238 -4.316 1.166 321 HD23 LEU 43 HD23 LEU 43 -0.544 -4.737 0.905 322 H LYS 44 HN LYS 44 -1.830 -6.370 6.011 323 HA LYS 44 HA LYS 44 -0.968 -8.812 4.816 324 HB2 LYS 44 HB2 LYS 44 -2.375 -8.514 7.480 325 HB3 LYS 44 HB3 LYS 44 -1.319 -9.823 7.013 326 HG2 LYS 44 HG2 LYS 44 -0.396 -6.963 7.485 327 HG3 LYS 44 HG3 LYS 44 -0.440 -8.230 8.692 328 HD2 LYS 44 HD2 LYS 44 0.994 -9.474 6.700 329 HD3 LYS 44 HD3 LYS 44 1.532 -7.809 6.483 330 HE2 LYS 44 HE2 LYS 44 1.444 -9.211 9.201 331 HE3 LYS 44 HE3 LYS 44 2.832 -9.337 8.122 332 HZ1 LYS 44 HZ1 LYS 44 1.866 -6.831 9.370 333 HZ2 LYS 44 HZ2 LYS 44 3.136 -6.966 8.275 334 HZ3 LYS 44 HZ3 LYS 44 3.216 -7.687 9.705 335 H GLU 45 HN GLU 45 -4.261 -7.550 5.287 336 HA GLU 45 HA GLU 45 -5.425 -10.207 5.454 337 HB2 GLU 45 HB2 GLU 45 -6.587 -7.417 5.371 338 HB3 GLU 45 HB3 GLU 45 -7.601 -8.842 5.308 339 HG2 GLU 45 HG2 GLU 45 -5.886 -9.319 7.503 340 HG3 GLU 45 HG3 GLU 45 -6.284 -7.606 7.643 341 H PHE 46 HN PHE 46 -4.506 -8.338 2.735 342 HA PHE 46 HA PHE 46 -6.654 -9.294 0.979 343 HB2 PHE 46 HB2 PHE 46 -4.295 -7.398 0.658 344 HB3 PHE 46 HB3 PHE 46 -5.282 -7.935 -0.697 345 HD1 PHE 46 HD1 PHE 46 -7.718 -7.373 -0.836 346 HD2 PHE 46 HD2 PHE 46 -5.128 -5.615 2.149 347 HE1 PHE 46 HE1 PHE 46 -9.443 -5.699 -0.314 348 HE2 PHE 46 HE2 PHE 46 -6.871 -4.002 2.709 349 HZ PHE 46 HZ PHE 46 -9.043 -4.005 1.466 350 H ASN 47 HN ASN 47 -6.117 -10.312 -0.890 351 HA ASN 47 HA ASN 47 -3.959 -12.362 -0.828 352 HB2 ASN 47 HB2 ASN 47 -4.961 -13.408 -2.717 353 HB3 ASN 47 HB3 ASN 47 -6.266 -13.017 -1.648 354 HD21 ASN 47 HD21 ASN 47 -5.528 -13.067 -4.908 355 HD22 ASN 47 HD22 ASN 47 -6.796 -11.969 -5.331 356 H GLU 48 HN GLU 48 -3.076 -12.690 -3.254 357 HA GLU 48 HA GLU 48 -1.220 -10.751 -3.801 358 HB2 GLU 48 HB2 GLU 48 -1.572 -13.284 -4.540 359 HB3 GLU 48 HB3 GLU 48 -2.296 -12.556 -5.972 360 HG2 GLU 48 HG2 GLU 48 -0.083 -11.094 -5.943 361 HG3 GLU 48 HG3 GLU 48 0.497 -12.445 -4.952 362 H ASP 49 HN ASP 49 -3.975 -11.461 -5.952 363 HA ASP 49 HA ASP 49 -3.666 -9.197 -7.590 364 HB2 ASP 49 HB2 ASP 49 -4.862 -11.341 -8.115 365 HB3 ASP 49 HB3 ASP 49 -6.117 -10.853 -6.975 366 H GLY 50 HN GLY 50 -5.845 -9.792 -4.779 367 HA2 GLY 50 HA1 GLY 50 -7.348 -7.425 -4.925 368 HA3 GLY 50 HA2 GLY 50 -7.002 -8.331 -3.436 369 H ALA 51 HN ALA 51 -4.340 -8.080 -3.004 370 HA ALA 51 HA ALA 51 -4.077 -5.456 -1.994 371 HB1 ALA 51 HB1 ALA 51 -1.742 -6.062 -1.543 372 HB2 ALA 51 HB2 ALA 51 -2.824 -7.384 -1.085 373 HB3 ALA 51 HB3 ALA 51 -1.909 -7.493 -2.604 374 H LEU 52 HN LEU 52 -2.630 -6.954 -4.932 375 HA LEU 52 HA LEU 52 -1.124 -4.739 -5.849 376 HB2 LEU 52 HB2 LEU 52 -2.320 -7.204 -7.086 377 HB3 LEU 52 HB3 LEU 52 -1.972 -5.897 -8.187 378 HG LEU 52 HG LEU 52 -0.165 -7.471 -8.103 379 HD11 LEU 52 HD11 LEU 52 1.677 -5.944 -7.889 380 HD12 LEU 52 HD12 LEU 52 0.717 -4.809 -6.939 381 HD13 LEU 52 HD13 LEU 52 0.310 -5.118 -8.645 382 HD21 LEU 52 HD21 LEU 52 -0.208 -8.307 -5.873 383 HD22 LEU 52 HD22 LEU 52 0.123 -6.704 -5.180 384 HD23 LEU 52 HD23 LEU 52 1.355 -7.544 -6.134 385 H ALA 53 HN ALA 53 -4.592 -5.529 -6.371 386 HA ALA 53 HA ALA 53 -5.100 -3.462 -8.193 387 HB1 ALA 53 HB1 ALA 53 -7.418 -3.794 -7.668 388 HB2 ALA 53 HB2 ALA 53 -6.628 -5.380 -7.508 389 HB3 ALA 53 HB3 ALA 53 -7.054 -4.444 -6.067 390 H VAL 54 HN VAL 54 -5.375 -3.450 -4.641 391 HA VAL 54 HA VAL 54 -6.221 -0.792 -4.289 392 HB VAL 54 HB VAL 54 -4.419 -2.331 -2.400 393 HG11 VAL 54 HG11 VAL 54 -6.730 -0.513 -1.730 394 HG12 VAL 54 HG12 VAL 54 -5.545 -1.264 -0.634 395 HG13 VAL 54 HG13 VAL 54 -5.026 -0.012 -1.782 396 HG21 VAL 54 HG21 VAL 54 -7.126 -3.131 -3.249 397 HG22 VAL 54 HG22 VAL 54 -5.902 -4.010 -2.322 398 HG23 VAL 54 HG23 VAL 54 -6.998 -2.916 -1.500 399 H LEU 55 HN LEU 55 -3.008 -2.079 -4.915 400 HA LEU 55 HA LEU 55 -1.498 0.213 -3.983 401 HB2 LEU 55 HB2 LEU 55 -0.694 -1.856 -6.054 402 HB3 LEU 55 HB3 LEU 55 0.359 -0.677 -5.298 403 HG LEU 55 HG LEU 55 -0.822 -3.188 -4.141 404 HD11 LEU 55 HD11 LEU 55 2.001 -2.097 -4.302 405 HD12 LEU 55 HD12 LEU 55 1.272 -3.268 -5.419 406 HD13 LEU 55 HD13 LEU 55 1.510 -3.707 -3.731 407 HD21 LEU 55 HD21 LEU 55 0.118 -2.595 -1.940 408 HD22 LEU 55 HD22 LEU 55 -1.195 -1.508 -2.387 409 HD23 LEU 55 HD23 LEU 55 0.491 -0.962 -2.553 410 H GLN 56 HN GLN 56 -2.755 -0.873 -7.165 411 HA GLN 56 HA GLN 56 -1.507 1.159 -8.685 412 HB2 GLN 56 HB2 GLN 56 -2.615 0.304 -10.480 413 HB3 GLN 56 HB3 GLN 56 -2.913 -1.022 -9.373 414 HG2 GLN 56 HG2 GLN 56 -5.167 0.311 -8.870 415 HG3 GLN 56 HG3 GLN 56 -4.820 1.066 -10.409 416 HE21 GLN 56 HE21 GLN 56 -6.198 -1.475 -8.748 417 HE22 GLN 56 HE22 GLN 56 -6.714 -2.437 -10.134 418 H GLN 57 HN GLN 57 -4.576 1.044 -6.888 419 HA GLN 57 HA GLN 57 -5.508 3.527 -8.024 420 HB2 GLN 57 HB2 GLN 57 -6.761 1.425 -7.133 421 HB3 GLN 57 HB3 GLN 57 -6.636 2.168 -5.543 422 HG2 GLN 57 HG2 GLN 57 -8.095 3.951 -6.178 423 HG3 GLN 57 HG3 GLN 57 -7.779 3.711 -7.902 424 HE21 GLN 57 HE21 GLN 57 -9.656 2.484 -5.122 425 HE22 GLN 57 HE22 GLN 57 -10.553 1.293 -5.997 426 H PHE 58 HN PHE 58 -3.869 2.586 -5.041 427 HA PHE 58 HA PHE 58 -3.908 5.089 -3.693 428 HB2 PHE 58 HB2 PHE 58 -3.336 3.004 -2.601 429 HB3 PHE 58 HB3 PHE 58 -1.981 2.737 -3.690 430 HD1 PHE 58 HD1 PHE 58 -3.245 5.296 -1.210 431 HD2 PHE 58 HD2 PHE 58 0.168 3.304 -2.958 432 HE1 PHE 58 HE1 PHE 58 -1.741 6.382 0.429 433 HE2 PHE 58 HE2 PHE 58 1.663 4.482 -1.370 434 HZ PHE 58 HZ PHE 58 0.726 6.062 0.289 435 H LYS 59 HN LYS 59 -1.205 3.694 -5.679 436 HA LYS 59 HA LYS 59 0.412 5.934 -5.841 437 HB2 LYS 59 HB2 LYS 59 0.053 3.413 -7.392 438 HB3 LYS 59 HB3 LYS 59 0.751 4.726 -8.305 439 HG2 LYS 59 HG2 LYS 59 2.175 4.640 -5.820 440 HG3 LYS 59 HG3 LYS 59 1.922 2.989 -6.332 441 HD2 LYS 59 HD2 LYS 59 3.844 3.286 -7.501 442 HD3 LYS 59 HD3 LYS 59 2.814 4.016 -8.709 443 HE2 LYS 59 HE2 LYS 59 3.301 6.247 -7.888 444 HE3 LYS 59 HE3 LYS 59 4.124 5.618 -6.450 445 HZ1 LYS 59 HZ1 LYS 59 5.116 4.947 -9.156 446 HZ2 LYS 59 HZ2 LYS 59 5.945 4.907 -7.773 447 HZ3 LYS 59 HZ3 LYS 59 5.560 6.346 -8.463 448 H ASP 60 HN ASP 60 -2.289 5.063 -8.016 449 HA ASP 60 HA ASP 60 -1.776 7.177 -9.849 450 HB2 ASP 60 HB2 ASP 60 -2.847 4.906 -10.207 451 HB3 ASP 60 HB3 ASP 60 -4.331 5.571 -9.525 452 H SER 61 HN SER 61 -2.453 7.965 -6.896 453 HA SER 61 HA SER 61 -4.683 9.871 -7.447 454 HB2 SER 61 HB2 SER 61 -3.833 8.587 -4.839 455 HB3 SER 61 HB3 SER 61 -5.126 9.773 -5.060 456 HG SER 61 HG SER 61 -5.034 7.104 -6.067 457 H ASP 62 HN ASP 62 -4.398 11.771 -5.540 458 HA ASP 62 HA ASP 62 -1.825 13.007 -6.228 459 HB2 ASP 62 HB2 ASP 62 -3.675 14.181 -7.323 460 HB3 ASP 62 HB3 ASP 62 -4.564 14.256 -5.787 461 H LEU 63 HN LEU 63 -0.713 13.244 -4.578 462 HA LEU 63 HA LEU 63 -1.765 12.780 -1.827 463 HB2 LEU 63 HB2 LEU 63 1.062 12.519 -2.907 464 HB3 LEU 63 HB3 LEU 63 0.549 12.099 -1.268 465 HG LEU 63 HG LEU 63 -0.509 10.795 -3.829 466 HD11 LEU 63 HD11 LEU 63 1.912 10.287 -3.212 467 HD12 LEU 63 HD12 LEU 63 0.799 8.960 -3.484 468 HD13 LEU 63 HD13 LEU 63 1.241 9.383 -1.819 469 HD21 LEU 63 HD21 LEU 63 -1.102 10.283 -0.889 470 HD22 LEU 63 HD22 LEU 63 -1.370 9.054 -2.146 471 HD23 LEU 63 HD23 LEU 63 -2.241 10.584 -2.224 472 H SER 64 HN SER 64 -0.677 15.381 -3.683 473 HA SER 64 HA SER 64 0.856 16.977 -2.009 474 HB2 SER 64 HB2 SER 64 -1.194 17.563 -4.180 475 HB3 SER 64 HB3 SER 64 -0.291 18.847 -3.388 476 HG SER 64 HG SER 64 0.611 16.826 -5.100 477 H HIS 65 HN HIS 65 -2.659 16.442 -1.735 478 HA HIS 65 HA HIS 65 -2.706 18.354 0.555 479 HB2 HIS 65 HB2 HIS 65 -4.881 17.776 -1.492 480 HB3 HIS 65 HB3 HIS 65 -5.097 18.706 -0.013 481 HD1 HIS 65 HD1 HIS 65 -3.988 19.247 -3.600 482 HD2 HIS 65 HD2 HIS 65 -3.615 21.046 0.219 483 HE1 HIS 65 HE1 HIS 65 -3.316 21.644 -3.988 484 H VAL 66 HN VAL 66 -2.285 15.224 0.150 485 HA VAL 66 HA VAL 66 -4.477 14.161 1.755 486 HB VAL 66 HB VAL 66 -1.878 13.029 0.697 487 HG11 VAL 66 HG11 VAL 66 -2.078 12.057 2.916 488 HG12 VAL 66 HG12 VAL 66 -3.785 11.685 2.637 489 HG13 VAL 66 HG13 VAL 66 -2.519 10.856 1.697 490 HG21 VAL 66 HG21 VAL 66 -3.456 11.490 -0.453 491 HG22 VAL 66 HG22 VAL 66 -4.824 12.259 0.362 492 HG23 VAL 66 HG23 VAL 66 -3.869 13.175 -0.816 493 H GLN 67 HN GLN 67 -4.591 14.209 3.867 494 HA GLN 67 HA GLN 67 -3.007 15.955 5.447 495 HB2 GLN 67 HB2 GLN 67 -4.909 13.711 6.284 496 HB3 GLN 67 HB3 GLN 67 -4.351 14.996 7.345 497 HG2 GLN 67 HG2 GLN 67 -5.700 16.619 6.303 498 HG3 GLN 67 HG3 GLN 67 -5.874 15.695 4.814 499 HE21 GLN 67 HE21 GLN 67 -6.975 13.498 5.056 500 HE22 GLN 67 HE22 GLN 67 -8.332 13.371 6.156 501 H ASN 68 HN ASN 68 -3.337 12.376 5.533 502 HA ASN 68 HA ASN 68 -0.621 12.085 6.707 503 HB2 ASN 68 HB2 ASN 68 -3.129 10.508 7.451 504 HB3 ASN 68 HB3 ASN 68 -1.480 10.039 7.832 505 HD21 ASN 68 HD21 ASN 68 -4.173 11.978 8.809 506 HD22 ASN 68 HD22 ASN 68 -3.355 12.621 10.222 507 H LYS 69 HN LYS 69 0.506 10.857 5.338 508 HA LYS 69 HA LYS 69 -0.657 9.783 2.991 509 HB2 LYS 69 HB2 LYS 69 1.979 8.986 4.305 510 HB3 LYS 69 HB3 LYS 69 1.548 8.769 2.615 511 HG2 LYS 69 HG2 LYS 69 2.100 11.381 4.069 512 HG3 LYS 69 HG3 LYS 69 2.971 10.687 2.715 513 HD2 LYS 69 HD2 LYS 69 0.810 10.999 1.345 514 HD3 LYS 69 HD3 LYS 69 0.206 11.953 2.710 515 HE2 LYS 69 HE2 LYS 69 2.754 13.009 2.219 516 HE3 LYS 69 HE3 LYS 69 2.137 12.685 0.603 517 HZ1 LYS 69 HZ1 LYS 69 0.313 14.160 1.006 518 HZ2 LYS 69 HZ2 LYS 69 1.639 14.921 1.554 519 HZ3 LYS 69 HZ3 LYS 69 0.648 14.246 2.639 520 H SER 70 HN SER 70 -0.334 8.449 6.154 521 HA SER 70 HA SER 70 -0.754 5.676 5.541 522 HB2 SER 70 HB2 SER 70 -1.095 5.654 8.059 523 HB3 SER 70 HB3 SER 70 0.476 6.249 7.508 524 HG SER 70 HG SER 70 -0.619 7.457 9.170 525 H ALA 71 HN ALA 71 -2.796 8.266 7.084 526 HA ALA 71 HA ALA 71 -5.104 6.705 7.286 527 HB1 ALA 71 HB1 ALA 71 -4.827 8.961 8.291 528 HB2 ALA 71 HB2 ALA 71 -5.088 9.684 6.675 529 HB3 ALA 71 HB3 ALA 71 -6.379 8.754 7.446 530 H PHE 72 HN PHE 72 -3.864 8.348 4.376 531 HA PHE 72 HA PHE 72 -6.264 8.039 2.821 532 HB2 PHE 72 HB2 PHE 72 -4.427 9.591 2.333 533 HB3 PHE 72 HB3 PHE 72 -3.346 8.255 1.970 534 HD1 PHE 72 HD2 PHE 72 -6.845 9.324 0.994 535 HD2 PHE 72 HD1 PHE 72 -2.952 8.060 -0.367 536 HE1 PHE 72 HE2 PHE 72 -7.553 9.648 -1.345 537 HE2 PHE 72 HE1 PHE 72 -3.685 8.315 -2.695 538 HZ PHE 72 HZ PHE 72 -5.973 9.174 -3.194 539 H LEU 73 HN LEU 73 -3.325 6.025 3.246 540 HA LEU 73 HA LEU 73 -4.056 4.041 1.314 541 HB2 LEU 73 HB2 LEU 73 -1.740 4.460 2.377 542 HB3 LEU 73 HB3 LEU 73 -2.338 3.649 3.805 543 HG LEU 73 HG LEU 73 -2.921 1.651 2.326 544 HD11 LEU 73 HD11 LEU 73 -2.737 2.828 0.085 545 HD12 LEU 73 HD12 LEU 73 -1.735 1.364 0.209 546 HD13 LEU 73 HD13 LEU 73 -1.008 2.973 0.376 547 HD21 LEU 73 HD21 LEU 73 0.027 2.343 2.390 548 HD22 LEU 73 HD22 LEU 73 -0.699 0.732 2.389 549 HD23 LEU 73 HD23 LEU 73 -0.892 1.788 3.803 550 H CYS 74 HN CYS 74 -4.481 4.326 4.825 551 HA CYS 74 HA CYS 74 -5.932 1.927 5.267 552 HB2 CYS 74 HB2 CYS 74 -5.604 4.555 6.681 553 HB3 CYS 74 HB3 CYS 74 -7.039 3.656 7.105 554 HG CYS 74 HG CYS 74 -5.961 1.477 7.858 555 H GLY 75 HN GLY 75 -7.047 4.953 3.777 556 HA2 GLY 75 HA1 GLY 75 -9.868 4.386 3.959 557 HA3 GLY 75 HA2 GLY 75 -9.069 5.551 2.904 558 H VAL 76 HN VAL 76 -7.522 4.175 1.199 559 HA VAL 76 HA VAL 76 -9.456 3.154 -0.594 560 HB VAL 76 HB VAL 76 -6.460 2.780 -0.833 561 HG11 VAL 76 HG11 VAL 76 -6.809 2.776 -3.224 562 HG12 VAL 76 HG12 VAL 76 -7.728 1.468 -2.483 563 HG13 VAL 76 HG13 VAL 76 -8.565 2.951 -3.003 564 HG21 VAL 76 HG21 VAL 76 -6.489 4.889 -2.155 565 HG22 VAL 76 HG22 VAL 76 -8.190 5.122 -1.714 566 HG23 VAL 76 HG23 VAL 76 -6.927 5.178 -0.473 567 H MET 77 HN MET 77 -7.131 1.340 1.513 568 HA MET 77 HA MET 77 -7.900 -1.272 0.695 569 HB2 MET 77 HB2 MET 77 -6.903 -0.136 3.333 570 HB3 MET 77 HB3 MET 77 -7.480 -1.809 3.223 571 HG2 MET 77 HG2 MET 77 -5.933 -2.236 1.355 572 HG3 MET 77 HG3 MET 77 -5.229 -0.639 1.569 573 HE1 MET 77 HE1 MET 77 -2.975 -0.464 2.865 574 HE2 MET 77 HE2 MET 77 -4.253 0.150 3.957 575 HE3 MET 77 HE3 MET 77 -2.978 -0.928 4.571 576 H LYS 78 HN LYS 78 -9.523 0.981 2.944 577 HA LYS 78 HA LYS 78 -11.329 -0.967 4.002 578 HB2 LYS 78 HB2 LYS 78 -10.753 1.800 4.416 579 HB3 LYS 78 HB3 LYS 78 -12.444 1.760 3.957 580 HG2 LYS 78 HG2 LYS 78 -11.223 -0.047 6.082 581 HG3 LYS 78 HG3 LYS 78 -11.905 1.533 6.444 582 HD2 LYS 78 HD2 LYS 78 -14.093 0.860 5.597 583 HD3 LYS 78 HD3 LYS 78 -13.461 -0.751 5.163 584 HE2 LYS 78 HE2 LYS 78 -12.915 -1.206 7.497 585 HE3 LYS 78 HE3 LYS 78 -13.407 0.430 7.970 586 HZ1 LYS 78 HZ1 LYS 78 -15.648 -0.105 7.306 587 HZ2 LYS 78 HZ2 LYS 78 -15.105 -1.243 8.378 588 HZ3 LYS 78 HZ3 LYS 78 -15.189 -1.592 6.771 589 H THR 79 HN THR 79 -11.462 1.164 1.127 590 HA THR 79 HA THR 79 -14.214 0.469 0.550 591 HB THR 79 HB THR 79 -12.950 1.172 -1.866 592 HG1 THR 79 HG1 THR 79 -12.026 2.921 0.190 593 HG21 THR 79 HG21 THR 79 -14.377 2.920 0.176 594 HG22 THR 79 HG22 THR 79 -15.144 1.890 -1.064 595 HG23 THR 79 HG23 THR 79 -14.135 3.250 -1.561 596 H TYR 80 HN TYR 80 -11.052 -0.712 -0.824 597 HA TYR 80 HA TYR 80 -12.128 -2.684 -2.447 598 HB2 TYR 80 HB2 TYR 80 -9.524 -2.368 -0.996 599 HB3 TYR 80 HB3 TYR 80 -9.891 -3.924 -1.719 600 HD1 TYR 80 HD2 TYR 80 -10.363 -4.199 -4.107 601 HD2 TYR 80 HD1 TYR 80 -9.000 -0.455 -2.476 602 HE1 TYR 80 HE2 TYR 80 -9.707 -3.471 -6.359 603 HE2 TYR 80 HE1 TYR 80 -8.275 0.275 -4.709 604 HH TYR 80 HH TYR 80 -8.925 -1.739 -7.641 605 H ARG 81 HN ARG 81 -11.740 -2.893 1.101 606 HA ARG 81 HA ARG 81 -12.467 -5.702 1.179 607 HB2 ARG 81 HB2 ARG 81 -11.847 -3.541 3.133 608 HB3 ARG 81 HB3 ARG 81 -13.081 -4.640 3.691 609 HG2 ARG 81 HG2 ARG 81 -11.025 -6.320 2.556 610 HG3 ARG 81 HG3 ARG 81 -10.213 -5.070 3.475 611 HD2 ARG 81 HD2 ARG 81 -10.627 -6.916 4.926 612 HD3 ARG 81 HD3 ARG 81 -11.692 -5.596 5.437 613 HE ARG 81 HE ARG 81 -13.086 -7.254 3.580 614 HH11 ARG 81 HH11 ARG 81 -11.780 -7.370 6.867 615 HH12 ARG 81 HH12 ARG 81 -12.352 -8.951 7.189 616 HH21 ARG 81 HH21 ARG 81 -14.206 -9.251 4.149 617 HH22 ARG 81 HH22 ARG 81 -13.845 -9.980 5.678 618 H GLN 82 HN GLN 82 -14.432 -2.968 0.593 619 HA GLN 82 HA GLN 82 -16.835 -4.607 1.123 620 HB2 GLN 82 HB2 GLN 82 -16.096 -2.125 2.467 621 HB3 GLN 82 HB3 GLN 82 -17.572 -1.903 1.550 622 HG2 GLN 82 HG2 GLN 82 -17.136 -4.184 3.495 623 HG3 GLN 82 HG3 GLN 82 -17.919 -2.657 3.926 624 HE21 GLN 82 HE21 GLN 82 -20.145 -2.239 3.212 625 HE22 GLN 82 HE22 GLN 82 -21.043 -3.582 2.502 626 H ARG 83 HN ARG 83 -16.339 -5.107 -1.002 627 HA ARG 83 HA ARG 83 -17.802 -3.470 -2.958 628 HB2 ARG 83 HB2 ARG 83 -14.910 -4.329 -3.271 629 HB3 ARG 83 HB3 ARG 83 -15.963 -4.162 -4.690 630 HG2 ARG 83 HG2 ARG 83 -16.536 -1.899 -4.143 631 HG3 ARG 83 HG3 ARG 83 -15.557 -1.958 -2.678 632 HD2 ARG 83 HD2 ARG 83 -14.369 -0.729 -4.366 633 HD3 ARG 83 HD3 ARG 83 -13.517 -2.221 -3.980 634 HE ARG 83 HE ARG 83 -13.798 -3.006 -6.076 635 HH11 ARG 83 HH11 ARG 83 -16.125 -0.261 -5.794 636 HH12 ARG 83 HH12 ARG 83 -15.933 0.117 -7.489 637 HH21 ARG 83 HH21 ARG 83 -13.626 -2.277 -8.341 638 HH22 ARG 83 HH22 ARG 83 -14.753 -1.090 -8.861 639 H GLU 84 HN GLU 84 -18.423 -5.794 -1.351 640 HA GLU 84 HA GLU 84 -18.507 -8.117 -3.158 641 HB2 GLU 84 HB2 GLU 84 -19.356 -7.606 -0.293 642 HB3 GLU 84 HB3 GLU 84 -20.140 -8.867 -1.227 643 HG2 GLU 84 HG2 GLU 84 -17.729 -9.677 -1.806 644 HG3 GLU 84 HG3 GLU 84 -17.209 -8.661 -0.454 645 H LYS 85 HN LYS 85 -19.651 -7.504 -4.914 646 HA LYS 85 HA LYS 85 -22.529 -7.135 -4.675 647 HB2 LYS 85 HB2 LYS 85 -21.106 -4.834 -5.083 648 HB3 LYS 85 HB3 LYS 85 -21.163 -5.415 -6.740 649 HG2 LYS 85 HG2 LYS 85 -23.512 -4.814 -4.899 650 HG3 LYS 85 HG3 LYS 85 -22.956 -3.839 -6.250 651 HD2 LYS 85 HD2 LYS 85 -24.328 -6.551 -6.385 652 HD3 LYS 85 HD3 LYS 85 -24.965 -4.977 -6.872 653 HE2 LYS 85 HE2 LYS 85 -22.873 -4.966 -8.510 654 HE3 LYS 85 HE3 LYS 85 -22.919 -6.720 -8.248 655 HZ1 LYS 85 HZ1 LYS 85 -24.237 -6.378 -10.081 656 HZ2 LYS 85 HZ2 LYS 85 -24.875 -4.972 -9.547 657 HZ3 LYS 85 HZ3 LYS 85 -25.389 -6.406 -8.893 Start of MODEL 7 1 H1 GLY 1 HN GLY 1 15.855 -1.657 -7.258 2 HA2 GLY 1 HA1 GLY 1 13.740 0.365 -6.781 3 HA3 GLY 1 HA2 GLY 1 13.911 -1.183 -5.919 4 H SER 2 HN SER 2 13.829 0.336 -4.001 5 HA SER 2 HA SER 2 16.590 1.301 -3.362 6 HB2 SER 2 HB2 SER 2 13.912 2.500 -2.845 7 HB3 SER 2 HB3 SER 2 15.266 2.848 -1.762 8 HG SER 2 HG SER 2 15.248 3.263 -4.594 9 H GLU 3 HN GLU 3 16.683 1.545 -0.798 10 HA GLU 3 HA GLU 3 17.046 -1.010 0.198 11 HB2 GLU 3 HB2 GLU 3 17.211 0.091 2.414 12 HB3 GLU 3 HB3 GLU 3 18.186 0.787 1.144 13 HG2 GLU 3 HG2 GLU 3 15.590 2.179 1.261 14 HG3 GLU 3 HG3 GLU 3 16.326 2.118 2.860 15 H ASN 4 HN ASN 4 14.134 0.959 0.402 16 HA ASN 4 HA ASN 4 12.796 -0.340 2.482 17 HB2 ASN 4 HB2 ASN 4 10.898 0.834 1.783 18 HB3 ASN 4 HB3 ASN 4 12.198 1.847 1.177 19 HD21 ASN 4 HD21 ASN 4 12.355 2.073 -1.164 20 HD22 ASN 4 HD22 ASN 4 11.464 1.049 -2.291 21 H PHE 5 HN PHE 5 13.099 -1.362 -0.933 22 HA PHE 5 HA PHE 5 10.960 -3.039 -1.198 23 HB2 PHE 5 HB2 PHE 5 12.402 -2.536 -3.050 24 HB3 PHE 5 HB3 PHE 5 13.771 -3.302 -2.295 25 HD1 PHE 5 HD2 PHE 5 10.255 -4.283 -3.466 26 HD2 PHE 5 HD1 PHE 5 14.399 -5.438 -2.939 27 HE1 PHE 5 HE2 PHE 5 9.839 -6.379 -4.650 28 HE2 PHE 5 HE1 PHE 5 13.949 -7.547 -4.115 29 HZ PHE 5 HZ PHE 5 11.674 -8.003 -5.049 30 H GLN 6 HN GLN 6 14.188 -4.180 -0.148 31 HA GLN 6 HA GLN 6 13.434 -6.805 0.504 32 HB2 GLN 6 HB2 GLN 6 15.769 -6.009 0.267 33 HB3 GLN 6 HB3 GLN 6 15.612 -5.070 1.755 34 HG2 GLN 6 HG2 GLN 6 16.848 -7.112 2.186 35 HG3 GLN 6 HG3 GLN 6 15.321 -7.167 3.053 36 HE21 GLN 6 HE21 GLN 6 13.718 -8.712 2.383 37 HE22 GLN 6 HE22 GLN 6 14.069 -10.010 1.236 38 H THR 7 HN THR 7 12.984 -3.810 2.476 39 HA THR 7 HA THR 7 12.379 -5.267 4.869 40 HB THR 7 HB THR 7 11.466 -2.458 4.128 41 HG1 THR 7 HG1 THR 7 13.449 -2.124 5.576 42 HG21 THR 7 HG21 THR 7 11.519 -2.134 6.566 43 HG22 THR 7 HG22 THR 7 12.001 -3.828 6.810 44 HG23 THR 7 HG23 THR 7 10.403 -3.425 6.150 45 H LEU 8 HN LEU 8 10.385 -4.296 1.987 46 HA LEU 8 HA LEU 8 7.906 -4.948 3.336 47 HB2 LEU 8 HB2 LEU 8 8.549 -5.145 0.363 48 HB3 LEU 8 HB3 LEU 8 7.002 -5.470 1.084 49 HG LEU 8 HG LEU 8 6.510 -3.389 0.494 50 HD11 LEU 8 HD11 LEU 8 6.816 -1.658 2.170 51 HD12 LEU 8 HD12 LEU 8 8.144 -2.543 2.911 52 HD13 LEU 8 HD13 LEU 8 6.489 -3.197 2.967 53 HD21 LEU 8 HD21 LEU 8 9.392 -2.552 0.610 54 HD22 LEU 8 HD22 LEU 8 8.052 -1.584 -0.013 55 HD23 LEU 8 HD23 LEU 8 8.515 -3.083 -0.835 56 H LEU 9 HN LEU 9 10.291 -6.905 1.614 57 HA LEU 9 HA LEU 9 8.793 -9.371 1.709 58 HB2 LEU 9 HB2 LEU 9 11.737 -8.704 1.329 59 HB3 LEU 9 HB3 LEU 9 11.188 -10.350 1.438 60 HG LEU 9 HG LEU 9 11.432 -9.971 -0.811 61 HD11 LEU 9 HD11 LEU 9 9.372 -10.420 -1.781 62 HD12 LEU 9 HD12 LEU 9 8.465 -9.427 -0.601 63 HD13 LEU 9 HD13 LEU 9 9.174 -10.978 -0.133 64 HD21 LEU 9 HD21 LEU 9 9.914 -7.357 -0.604 65 HD22 LEU 9 HD22 LEU 9 10.487 -8.097 -2.108 66 HD23 LEU 9 HD23 LEU 9 11.649 -7.569 -0.892 67 H ASP 10 HN ASP 10 10.435 -7.616 4.119 68 HA ASP 10 HA ASP 10 10.845 -9.912 5.967 69 HB2 ASP 10 HB2 ASP 10 12.555 -8.115 5.628 70 HB3 ASP 10 HB3 ASP 10 11.422 -6.932 6.255 71 H ALA 11 HN ALA 11 8.901 -7.015 5.471 72 HA ALA 11 HA ALA 11 7.558 -6.822 7.952 73 HB1 ALA 11 HB1 ALA 11 7.986 -4.931 6.366 74 HB2 ALA 11 HB2 ALA 11 6.843 -5.688 5.220 75 HB3 ALA 11 HB3 ALA 11 6.273 -5.083 6.789 76 H GLY 12 HN GLY 12 7.259 -9.292 6.005 77 HA2 GLY 12 HA1 GLY 12 5.730 -10.911 6.444 78 HA3 GLY 12 HA2 GLY 12 4.424 -9.774 6.667 79 H LEU 13 HN LEU 13 6.121 -8.884 3.837 80 HA LEU 13 HA LEU 13 3.704 -9.827 2.433 81 HB2 LEU 13 HB2 LEU 13 5.634 -7.589 1.747 82 HB3 LEU 13 HB3 LEU 13 4.123 -7.940 0.936 83 HG LEU 13 HG LEU 13 4.181 -7.304 3.904 84 HD11 LEU 13 HD11 LEU 13 3.725 -5.301 1.667 85 HD12 LEU 13 HD12 LEU 13 5.196 -5.412 2.664 86 HD13 LEU 13 HD13 LEU 13 3.646 -5.016 3.420 87 HD21 LEU 13 HD21 LEU 13 1.974 -7.030 1.815 88 HD22 LEU 13 HD22 LEU 13 1.850 -6.882 3.593 89 HD23 LEU 13 HD23 LEU 13 2.155 -8.449 2.874 90 HA PRO 14 HA PRO 14 5.970 -12.176 -0.562 91 HB2 PRO 14 HB2 PRO 14 4.257 -12.242 -2.651 92 HB3 PRO 14 HB3 PRO 14 3.863 -13.043 -1.102 93 HG2 PRO 14 HG2 PRO 14 3.009 -10.302 -2.030 94 HG3 PRO 14 HG3 PRO 14 1.960 -11.602 -1.369 95 HD2 PRO 14 HD2 PRO 14 2.905 -9.561 0.151 96 HD3 PRO 14 HD3 PRO 14 2.743 -11.205 0.818 97 H GLN 15 HN GLN 15 6.591 -12.038 -3.027 98 HA GLN 15 HA GLN 15 8.060 -9.583 -3.249 99 HB2 GLN 15 HB2 GLN 15 8.905 -11.897 -3.811 100 HB3 GLN 15 HB3 GLN 15 7.819 -11.921 -5.197 101 HG2 GLN 15 HG2 GLN 15 9.329 -10.789 -6.439 102 HG3 GLN 15 HG3 GLN 15 9.348 -9.450 -5.291 103 HE21 GLN 15 HE21 GLN 15 10.795 -9.616 -3.363 104 HE22 GLN 15 HE22 GLN 15 12.239 -10.557 -3.471 105 H LYS 16 HN LYS 16 5.285 -11.100 -5.011 106 HA LYS 16 HA LYS 16 5.685 -9.390 -7.180 107 HB2 LYS 16 HB2 LYS 16 3.087 -10.773 -6.370 108 HB3 LYS 16 HB3 LYS 16 3.386 -9.978 -7.899 109 HG2 LYS 16 HG2 LYS 16 4.143 -11.931 -8.714 110 HG3 LYS 16 HG3 LYS 16 5.571 -11.729 -7.701 111 HD2 LYS 16 HD2 LYS 16 4.286 -12.931 -5.843 112 HD3 LYS 16 HD3 LYS 16 3.031 -13.271 -7.056 113 HE2 LYS 16 HE2 LYS 16 4.912 -14.317 -8.477 114 HE3 LYS 16 HE3 LYS 16 5.945 -14.172 -7.042 115 HZ1 LYS 16 HZ1 LYS 16 3.550 -15.816 -7.434 116 HZ2 LYS 16 HZ2 LYS 16 4.083 -15.482 -5.904 117 HZ3 LYS 16 HZ3 LYS 16 5.031 -16.318 -6.965 118 H VAL 17 HN VAL 17 3.591 -9.092 -4.435 119 HA VAL 17 HA VAL 17 2.490 -6.508 -4.869 120 HB VAL 17 HB VAL 17 3.233 -7.895 -2.250 121 HG11 VAL 17 HG11 VAL 17 1.427 -6.575 -1.252 122 HG12 VAL 17 HG12 VAL 17 2.618 -5.502 -1.991 123 HG13 VAL 17 HG13 VAL 17 1.079 -5.816 -2.824 124 HG21 VAL 17 HG21 VAL 17 0.919 -8.763 -2.238 125 HG22 VAL 17 HG22 VAL 17 0.638 -8.068 -3.843 126 HG23 VAL 17 HG23 VAL 17 1.789 -9.394 -3.626 127 H ALA 18 HN ALA 18 5.428 -7.483 -2.938 128 HA ALA 18 HA ALA 18 6.286 -4.946 -2.312 129 HB1 ALA 18 HB1 ALA 18 7.290 -7.009 -1.376 130 HB2 ALA 18 HB2 ALA 18 8.086 -7.318 -2.933 131 HB3 ALA 18 HB3 ALA 18 8.524 -5.888 -1.990 132 H GLU 19 HN GLU 19 6.991 -6.646 -5.363 133 HA GLU 19 HA GLU 19 8.886 -4.805 -6.394 134 HB2 GLU 19 HB2 GLU 19 6.906 -6.703 -7.744 135 HB3 GLU 19 HB3 GLU 19 8.029 -5.700 -8.636 136 HG2 GLU 19 HG2 GLU 19 9.760 -6.886 -6.832 137 HG3 GLU 19 HG3 GLU 19 8.554 -8.148 -7.038 138 H LYS 20 HN LYS 20 5.401 -4.431 -6.070 139 HA LYS 20 HA LYS 20 5.546 -1.960 -7.786 140 HB2 LYS 20 HB2 LYS 20 3.293 -3.690 -6.723 141 HB3 LYS 20 HB3 LYS 20 3.017 -1.990 -7.041 142 HG2 LYS 20 HG2 LYS 20 2.304 -3.082 -8.943 143 HG3 LYS 20 HG3 LYS 20 3.805 -2.302 -9.407 144 HD2 LYS 20 HD2 LYS 20 3.791 -5.224 -8.574 145 HD3 LYS 20 HD3 LYS 20 3.181 -4.733 -10.160 146 HE2 LYS 20 HE2 LYS 20 5.427 -3.546 -10.497 147 HE3 LYS 20 HE3 LYS 20 5.992 -4.444 -9.094 148 HZ1 LYS 20 HZ1 LYS 20 5.396 -6.499 -10.277 149 HZ2 LYS 20 HZ2 LYS 20 6.488 -5.592 -11.119 150 HZ3 LYS 20 HZ3 LYS 20 4.934 -5.596 -11.592 151 H LEU 21 HN LEU 21 5.180 -3.140 -4.483 152 HA LEU 21 HA LEU 21 4.337 -0.657 -3.320 153 HB2 LEU 21 HB2 LEU 21 4.344 -3.272 -2.563 154 HB3 LEU 21 HB3 LEU 21 5.791 -2.756 -1.720 155 HG LEU 21 HG LEU 21 3.360 -1.021 -1.389 156 HD11 LEU 21 HD11 LEU 21 2.270 -2.504 0.227 157 HD12 LEU 21 HD12 LEU 21 3.439 -3.792 -0.131 158 HD13 LEU 21 HD13 LEU 21 2.309 -3.266 -1.363 159 HD21 LEU 21 HD21 LEU 21 4.214 -0.521 0.620 160 HD22 LEU 21 HD22 LEU 21 5.711 -1.254 -0.033 161 HD23 LEU 21 HD23 LEU 21 4.648 -2.183 1.015 162 H ASP 22 HN ASP 22 7.539 -1.980 -3.979 163 HA ASP 22 HA ASP 22 9.153 -0.258 -2.509 164 HB2 ASP 22 HB2 ASP 22 10.074 -2.112 -3.537 165 HB3 ASP 22 HB3 ASP 22 9.392 -1.745 -5.101 166 H GLU 23 HN GLU 23 8.008 0.271 -5.846 167 HA GLU 23 HA GLU 23 9.022 2.691 -6.502 168 HB2 GLU 23 HB2 GLU 23 6.850 0.971 -7.324 169 HB3 GLU 23 HB3 GLU 23 6.183 2.543 -7.269 170 HG2 GLU 23 HG2 GLU 23 8.846 2.204 -8.666 171 HG3 GLU 23 HG3 GLU 23 7.348 1.695 -9.455 172 H ILE 24 HN ILE 24 6.395 2.077 -4.273 173 HA ILE 24 HA ILE 24 5.215 4.670 -4.432 174 HB ILE 24 HB ILE 24 5.060 2.656 -2.177 175 HG12 ILE 24 HG12 ILE 24 3.333 2.877 -4.702 176 HG13 ILE 24 HG13 ILE 24 4.448 1.568 -4.326 177 HG21 ILE 24 HG21 ILE 24 2.969 3.602 -1.557 178 HG22 ILE 24 HG22 ILE 24 4.192 4.842 -1.639 179 HG23 ILE 24 HG23 ILE 24 3.003 4.737 -2.950 180 HD11 ILE 24 HD11 ILE 24 1.827 2.152 -2.963 181 HD12 ILE 24 HD12 ILE 24 2.312 0.714 -3.865 182 HD13 ILE 24 HD13 ILE 24 3.046 1.054 -2.279 183 H TYR 25 HN TYR 25 7.922 3.265 -2.706 184 HA TYR 25 HA TYR 25 8.416 5.758 -1.150 185 HB2 TYR 25 HB2 TYR 25 9.782 3.074 -0.901 186 HB3 TYR 25 HB3 TYR 25 9.847 4.423 0.233 187 HD1 TYR 25 HD1 TYR 25 7.620 5.165 1.324 188 HD2 TYR 25 HD2 TYR 25 8.104 1.436 -0.750 189 HE1 TYR 25 HE1 TYR 25 5.432 4.410 2.226 190 HE2 TYR 25 HE2 TYR 25 5.928 0.719 0.035 191 HH TYR 25 HH TYR 25 3.822 1.518 1.013 192 H VAL 26 HN VAL 26 9.095 4.945 -4.173 193 HA VAL 26 HA VAL 26 11.899 6.015 -4.074 194 HB VAL 26 HB VAL 26 10.483 4.445 -6.269 195 HG11 VAL 26 HG11 VAL 26 12.703 4.367 -7.359 196 HG12 VAL 26 HG12 VAL 26 12.141 6.033 -7.212 197 HG13 VAL 26 HG13 VAL 26 13.358 5.424 -6.084 198 HG21 VAL 26 HG21 VAL 26 11.153 3.025 -4.317 199 HG22 VAL 26 HG22 VAL 26 12.094 2.656 -5.759 200 HG23 VAL 26 HG23 VAL 26 12.798 3.647 -4.463 201 H ALA 27 HN ALA 27 8.602 6.492 -5.375 202 HA ALA 27 HA ALA 27 9.409 8.609 -7.209 203 HB1 ALA 27 HB1 ALA 27 7.587 7.068 -7.713 204 HB2 ALA 27 HB2 ALA 27 6.690 7.620 -6.269 205 HB3 ALA 27 HB3 ALA 27 6.978 8.727 -7.635 206 H GLY 28 HN GLY 28 9.603 8.846 -3.976 207 HA2 GLY 28 HA1 GLY 28 9.504 10.549 -2.556 208 HA3 GLY 28 HA2 GLY 28 9.177 11.627 -3.927 209 H LEU 29 HN LEU 29 6.878 9.097 -3.619 210 HA LEU 29 HA LEU 29 4.727 10.925 -3.009 211 HB2 LEU 29 HB2 LEU 29 4.804 7.855 -3.083 212 HB3 LEU 29 HB3 LEU 29 3.355 8.804 -2.792 213 HG LEU 29 HG LEU 29 5.042 9.090 -5.311 214 HD11 LEU 29 HD11 LEU 29 2.422 7.625 -4.941 215 HD12 LEU 29 HD12 LEU 29 4.003 6.831 -4.975 216 HD13 LEU 29 HD13 LEU 29 3.393 7.710 -6.411 217 HD21 LEU 29 HD21 LEU 29 2.984 10.165 -6.228 218 HD22 LEU 29 HD22 LEU 29 3.668 11.094 -4.898 219 HD23 LEU 29 HD23 LEU 29 2.229 10.083 -4.627 220 H VAL 30 HN VAL 30 5.867 8.027 -1.195 221 HA VAL 30 HA VAL 30 5.355 9.572 1.333 222 HB VAL 30 HB VAL 30 4.236 7.524 2.215 223 HG11 VAL 30 HG11 VAL 30 2.867 8.575 -0.316 224 HG12 VAL 30 HG12 VAL 30 2.107 7.848 1.099 225 HG13 VAL 30 HG13 VAL 30 2.922 9.423 1.228 226 HG21 VAL 30 HG21 VAL 30 3.506 5.761 0.747 227 HG22 VAL 30 HG22 VAL 30 4.054 6.663 -0.683 228 HG23 VAL 30 HG23 VAL 30 5.244 5.968 0.418 229 H ALA 31 HN ALA 31 6.242 8.543 3.268 230 HA ALA 31 HA ALA 31 8.970 7.496 2.785 231 HB1 ALA 31 HB1 ALA 31 7.508 8.415 5.307 232 HB2 ALA 31 HB2 ALA 31 9.206 7.912 5.230 233 HB3 ALA 31 HB3 ALA 31 8.675 9.359 4.348 234 H HIS 32 HN HIS 32 9.714 5.500 3.832 235 HA HIS 32 HA HIS 32 7.805 3.408 3.806 236 HB2 HIS 32 HB2 HIS 32 9.489 1.957 4.478 237 HB3 HIS 32 HB3 HIS 32 10.266 3.153 3.449 238 HD1 HIS 32 HD1 HIS 32 10.391 1.741 6.951 239 HD2 HIS 32 HD2 HIS 32 11.808 5.081 4.796 240 HE1 HIS 32 HE1 HIS 32 12.179 2.818 8.390 241 H SER 33 HN SER 33 8.715 5.545 6.503 242 HA SER 33 HA SER 33 7.043 3.977 8.342 243 HB2 SER 33 HB2 SER 33 8.867 6.257 8.755 244 HB3 SER 33 HB3 SER 33 7.904 5.517 10.048 245 HG SER 33 HG SER 33 10.162 4.748 9.647 246 H ASP 34 HN ASP 34 6.025 5.969 5.985 247 HA ASP 34 HA ASP 34 4.611 7.976 7.495 248 HB2 ASP 34 HB2 ASP 34 5.144 7.595 4.790 249 HB3 ASP 34 HB3 ASP 34 3.429 7.288 4.871 250 H LEU 35 HN LEU 35 3.905 4.656 6.663 251 HA LEU 35 HA LEU 35 1.028 4.876 7.133 252 HB2 LEU 35 HB2 LEU 35 2.915 2.503 6.805 253 HB3 LEU 35 HB3 LEU 35 1.198 2.335 7.122 254 HG LEU 35 HG LEU 35 2.468 3.563 4.644 255 HD11 LEU 35 HD11 LEU 35 2.417 1.110 4.717 256 HD12 LEU 35 HD12 LEU 35 1.305 1.731 3.487 257 HD13 LEU 35 HD13 LEU 35 0.683 1.130 5.041 258 HD21 LEU 35 HD21 LEU 35 -0.442 3.587 5.458 259 HD22 LEU 35 HD22 LEU 35 0.154 3.855 3.798 260 HD23 LEU 35 HD23 LEU 35 0.615 4.972 5.061 261 H ASP 36 HN ASP 36 -0.126 3.778 8.807 262 HA ASP 36 HA ASP 36 1.315 3.539 11.382 263 HB2 ASP 36 HB2 ASP 36 -0.694 4.113 12.467 264 HB3 ASP 36 HB3 ASP 36 -0.381 5.359 11.302 265 H GLU 37 HN GLU 37 -0.069 2.033 12.796 266 HA GLU 37 HA GLU 37 0.641 -0.463 11.792 267 HB2 GLU 37 HB2 GLU 37 0.178 0.376 14.273 268 HB3 GLU 37 HB3 GLU 37 -1.447 -0.232 13.971 269 HG2 GLU 37 HG2 GLU 37 -0.427 -2.071 14.919 270 HG3 GLU 37 HG3 GLU 37 -0.230 -2.444 13.206 271 H ARG 38 HN ARG 38 -2.538 1.070 11.792 272 HA ARG 38 HA ARG 38 -4.020 -1.297 11.173 273 HB2 ARG 38 HB2 ARG 38 -4.775 1.596 10.608 274 HB3 ARG 38 HB3 ARG 38 -5.847 0.206 10.599 275 HG2 ARG 38 HG2 ARG 38 -4.822 -0.054 13.091 276 HG3 ARG 38 HG3 ARG 38 -4.567 1.684 12.890 277 HD2 ARG 38 HD2 ARG 38 -6.680 1.314 13.969 278 HD3 ARG 38 HD3 ARG 38 -7.025 1.903 12.333 279 HE ARG 38 HE ARG 38 -7.102 -0.958 13.247 280 HH11 ARG 38 HH11 ARG 38 -8.536 1.508 11.016 281 HH12 ARG 38 HH12 ARG 38 -9.572 0.308 10.300 282 HH21 ARG 38 HH21 ARG 38 -8.342 -2.377 12.232 283 HH22 ARG 38 HH22 ARG 38 -9.514 -1.918 11.016 284 H ALA 39 HN ALA 39 -1.982 0.659 9.127 285 HA ALA 39 HA ALA 39 -3.281 -0.322 6.658 286 HB1 ALA 39 HB1 ALA 39 -1.515 0.964 5.539 287 HB2 ALA 39 HB2 ALA 39 -2.436 1.974 6.669 288 HB3 ALA 39 HB3 ALA 39 -0.814 1.390 7.113 289 H ILE 40 HN ILE 40 -0.384 -0.953 8.692 290 HA ILE 40 HA ILE 40 0.794 -2.828 6.821 291 HB ILE 40 HB ILE 40 1.165 -2.778 9.836 292 HG12 ILE 40 HG12 ILE 40 1.635 -0.524 9.218 293 HG13 ILE 40 HG13 ILE 40 3.159 -1.347 9.458 294 HG21 ILE 40 HG21 ILE 40 2.095 -4.759 8.716 295 HG22 ILE 40 HG22 ILE 40 2.974 -3.730 7.562 296 HG23 ILE 40 HG23 ILE 40 3.394 -3.719 9.286 297 HD11 ILE 40 HD11 ILE 40 1.912 -0.620 6.767 298 HD12 ILE 40 HD12 ILE 40 3.326 0.121 7.537 299 HD13 ILE 40 HD13 ILE 40 3.414 -1.548 6.960 300 H GLU 41 HN GLU 41 -1.478 -3.037 9.583 301 HA GLU 41 HA GLU 41 -1.947 -5.836 9.446 302 HB2 GLU 41 HB2 GLU 41 -2.634 -4.319 11.306 303 HB3 GLU 41 HB3 GLU 41 -3.871 -3.601 10.260 304 HG2 GLU 41 HG2 GLU 41 -5.078 -5.674 10.081 305 HG3 GLU 41 HG3 GLU 41 -3.713 -6.586 10.733 306 H ALA 42 HN ALA 42 -3.556 -3.110 7.724 307 HA ALA 42 HA ALA 42 -5.441 -4.714 6.388 308 HB1 ALA 42 HB1 ALA 42 -5.563 -2.236 6.467 309 HB2 ALA 42 HB2 ALA 42 -4.165 -2.141 5.368 310 HB3 ALA 42 HB3 ALA 42 -5.687 -2.868 4.820 311 H LEU 43 HN LEU 43 -2.112 -3.830 5.395 312 HA LEU 43 HA LEU 43 -2.127 -4.953 2.829 313 HB2 LEU 43 HB2 LEU 43 0.002 -4.404 4.900 314 HB3 LEU 43 HB3 LEU 43 0.439 -5.350 3.489 315 HG LEU 43 HG LEU 43 -0.949 -2.708 3.202 316 HD11 LEU 43 HD11 LEU 43 2.048 -3.194 3.287 317 HD12 LEU 43 HD12 LEU 43 1.093 -2.263 4.455 318 HD13 LEU 43 HD13 LEU 43 1.265 -1.675 2.795 319 HD21 LEU 43 HD21 LEU 43 -0.888 -4.295 1.220 320 HD22 LEU 43 HD22 LEU 43 0.876 -4.266 1.305 321 HD23 LEU 43 HD23 LEU 43 -0.041 -2.789 0.915 322 H LYS 44 HN LYS 44 -1.208 -6.556 5.889 323 HA LYS 44 HA LYS 44 -0.562 -9.074 4.976 324 HB2 LYS 44 HB2 LYS 44 -1.068 -7.735 7.460 325 HB3 LYS 44 HB3 LYS 44 -2.095 -9.142 7.480 326 HG2 LYS 44 HG2 LYS 44 -0.037 -9.662 8.558 327 HG3 LYS 44 HG3 LYS 44 -0.121 -10.595 7.069 328 HD2 LYS 44 HD2 LYS 44 1.821 -9.752 6.336 329 HD3 LYS 44 HD3 LYS 44 1.263 -8.114 6.489 330 HE2 LYS 44 HE2 LYS 44 3.305 -8.450 7.748 331 HE3 LYS 44 HE3 LYS 44 1.977 -7.894 8.736 332 HZ1 LYS 44 HZ1 LYS 44 2.924 -10.699 8.654 333 HZ2 LYS 44 HZ2 LYS 44 1.790 -10.054 9.696 334 HZ3 LYS 44 HZ3 LYS 44 3.337 -9.573 9.767 335 H GLU 45 HN GLU 45 -3.799 -7.731 4.819 336 HA GLU 45 HA GLU 45 -5.091 -10.328 5.197 337 HB2 GLU 45 HB2 GLU 45 -6.048 -7.502 4.695 338 HB3 GLU 45 HB3 GLU 45 -7.166 -8.833 4.670 339 HG2 GLU 45 HG2 GLU 45 -5.435 -8.847 7.094 340 HG3 GLU 45 HG3 GLU 45 -6.397 -7.383 6.919 341 H PHE 46 HN PHE 46 -3.880 -8.669 2.448 342 HA PHE 46 HA PHE 46 -6.078 -9.452 0.695 343 HB2 PHE 46 HB2 PHE 46 -3.583 -7.776 0.337 344 HB3 PHE 46 HB3 PHE 46 -4.675 -8.205 -0.970 345 HD1 PHE 46 HD2 PHE 46 -7.147 -7.520 -0.839 346 HD2 PHE 46 HD1 PHE 46 -4.077 -5.836 1.685 347 HE1 PHE 46 HE2 PHE 46 -8.613 -5.619 -0.327 348 HE2 PHE 46 HE1 PHE 46 -5.554 -3.965 2.222 349 HZ PHE 46 HZ PHE 46 -7.830 -3.795 1.189 350 H ASN 47 HN ASN 47 -5.831 -10.521 -1.074 351 HA ASN 47 HA ASN 47 -3.782 -12.656 -1.364 352 HB2 ASN 47 HB2 ASN 47 -4.937 -13.538 -3.191 353 HB3 ASN 47 HB3 ASN 47 -6.159 -13.066 -2.074 354 HD21 ASN 47 HD21 ASN 47 -7.699 -11.446 -2.778 355 HD22 ASN 47 HD22 ASN 47 -7.702 -10.907 -4.442 356 H GLU 48 HN GLU 48 -3.108 -12.804 -3.966 357 HA GLU 48 HA GLU 48 -1.087 -10.954 -4.315 358 HB2 GLU 48 HB2 GLU 48 -1.540 -13.325 -5.364 359 HB3 GLU 48 HB3 GLU 48 -2.426 -12.439 -6.616 360 HG2 GLU 48 HG2 GLU 48 -0.273 -10.896 -6.593 361 HG3 GLU 48 HG3 GLU 48 0.419 -12.305 -5.780 362 H ASP 49 HN ASP 49 -4.196 -11.095 -6.169 363 HA ASP 49 HA ASP 49 -3.483 -8.642 -7.620 364 HB2 ASP 49 HB2 ASP 49 -4.715 -10.420 -8.780 365 HB3 ASP 49 HB3 ASP 49 -6.047 -10.233 -7.633 366 H GLY 50 HN GLY 50 -5.606 -9.738 -5.014 367 HA2 GLY 50 HA1 GLY 50 -7.099 -7.434 -4.541 368 HA3 GLY 50 HA2 GLY 50 -6.591 -8.561 -3.269 369 H ALA 51 HN ALA 51 -3.802 -8.257 -3.317 370 HA ALA 51 HA ALA 51 -3.419 -5.792 -1.901 371 HB1 ALA 51 HB1 ALA 51 -1.412 -7.780 -3.018 372 HB2 ALA 51 HB2 ALA 51 -1.044 -6.461 -1.880 373 HB3 ALA 51 HB3 ALA 51 -2.092 -7.800 -1.384 374 H LEU 52 HN LEU 52 -2.347 -6.939 -5.141 375 HA LEU 52 HA LEU 52 -0.919 -4.628 -5.910 376 HB2 LEU 52 HB2 LEU 52 -2.266 -6.915 -7.335 377 HB3 LEU 52 HB3 LEU 52 -2.021 -5.480 -8.287 378 HG LEU 52 HG LEU 52 -0.230 -6.911 -8.727 379 HD11 LEU 52 HD11 LEU 52 0.278 -4.426 -8.385 380 HD12 LEU 52 HD12 LEU 52 1.635 -5.561 -8.344 381 HD13 LEU 52 HD13 LEU 52 1.015 -4.886 -6.833 382 HD21 LEU 52 HD21 LEU 52 0.326 -7.051 -5.761 383 HD22 LEU 52 HD22 LEU 52 1.409 -7.672 -7.036 384 HD23 LEU 52 HD23 LEU 52 -0.200 -8.376 -6.825 385 H ALA 53 HN ALA 53 -4.418 -5.301 -6.342 386 HA ALA 53 HA ALA 53 -5.063 -3.091 -7.892 387 HB1 ALA 53 HB1 ALA 53 -6.527 -5.035 -7.342 388 HB2 ALA 53 HB2 ALA 53 -6.760 -4.383 -5.709 389 HB3 ALA 53 HB3 ALA 53 -7.338 -3.480 -7.130 390 H VAL 54 HN VAL 54 -4.883 -3.294 -4.314 391 HA VAL 54 HA VAL 54 -5.703 -0.614 -3.742 392 HB VAL 54 HB VAL 54 -3.736 -2.425 -2.318 393 HG11 VAL 54 HG11 VAL 54 -4.082 -1.203 -0.301 394 HG12 VAL 54 HG12 VAL 54 -3.417 -0.129 -1.523 395 HG13 VAL 54 HG13 VAL 54 -5.152 -0.033 -1.127 396 HG21 VAL 54 HG21 VAL 54 -6.100 -3.355 -2.466 397 HG22 VAL 54 HG22 VAL 54 -5.466 -3.128 -0.833 398 HG23 VAL 54 HG23 VAL 54 -6.609 -1.963 -1.493 399 H LEU 55 HN LEU 55 -2.585 -1.986 -4.759 400 HA LEU 55 HA LEU 55 -1.023 0.384 -4.005 401 HB2 LEU 55 HB2 LEU 55 -0.223 -1.874 -5.896 402 HB3 LEU 55 HB3 LEU 55 0.824 -0.675 -5.186 403 HG LEU 55 HG LEU 55 -0.524 -3.011 -3.841 404 HD11 LEU 55 HD11 LEU 55 2.380 -2.169 -4.090 405 HD12 LEU 55 HD12 LEU 55 1.558 -3.348 -5.125 406 HD13 LEU 55 HD13 LEU 55 1.768 -3.697 -3.418 407 HD21 LEU 55 HD21 LEU 55 1.035 -0.833 -2.396 408 HD22 LEU 55 HD22 LEU 55 0.343 -2.328 -1.693 409 HD23 LEU 55 HD23 LEU 55 -0.727 -1.080 -2.281 410 H GLN 56 HN GLN 56 -2.131 -1.153 -6.963 411 HA GLN 56 HA GLN 56 -1.323 0.620 -8.927 412 HB2 GLN 56 HB2 GLN 56 -2.245 -1.626 -9.251 413 HB3 GLN 56 HB3 GLN 56 -3.819 -1.113 -8.644 414 HG2 GLN 56 HG2 GLN 56 -4.023 0.460 -10.559 415 HG3 GLN 56 HG3 GLN 56 -2.501 -0.166 -11.216 416 HE21 GLN 56 HE21 GLN 56 -2.959 -3.016 -10.516 417 HE22 GLN 56 HE22 GLN 56 -4.374 -3.589 -11.351 418 H GLN 57 HN GLN 57 -4.508 0.551 -7.202 419 HA GLN 57 HA GLN 57 -5.419 2.946 -8.497 420 HB2 GLN 57 HB2 GLN 57 -6.857 1.175 -7.433 421 HB3 GLN 57 HB3 GLN 57 -6.381 1.783 -5.845 422 HG2 GLN 57 HG2 GLN 57 -7.473 3.912 -6.259 423 HG3 GLN 57 HG3 GLN 57 -7.670 3.544 -7.973 424 HE21 GLN 57 HE21 GLN 57 -8.631 2.051 -4.781 425 HE22 GLN 57 HE22 GLN 57 -10.223 1.593 -5.317 426 H PHE 58 HN PHE 58 -3.644 2.380 -5.505 427 HA PHE 58 HA PHE 58 -3.957 5.001 -4.393 428 HB2 PHE 58 HB2 PHE 58 -3.420 3.083 -3.029 429 HB3 PHE 58 HB3 PHE 58 -1.938 2.779 -3.934 430 HD1 PHE 58 HD2 PHE 58 -3.415 5.858 -2.322 431 HD2 PHE 58 HD1 PHE 58 -0.135 3.073 -2.525 432 HE1 PHE 58 HE2 PHE 58 -2.216 7.138 -0.593 433 HE2 PHE 58 HE1 PHE 58 1.067 4.388 -0.764 434 HZ PHE 58 HZ PHE 58 0.053 6.417 0.163 435 H LYS 59 HN LYS 59 -1.110 3.516 -6.117 436 HA LYS 59 HA LYS 59 0.320 5.963 -6.313 437 HB2 LYS 59 HB2 LYS 59 1.308 3.766 -6.389 438 HB3 LYS 59 HB3 LYS 59 0.522 3.401 -7.930 439 HG2 LYS 59 HG2 LYS 59 1.870 4.921 -9.126 440 HG3 LYS 59 HG3 LYS 59 2.259 5.877 -7.695 441 HD2 LYS 59 HD2 LYS 59 3.204 3.111 -7.391 442 HD3 LYS 59 HD3 LYS 59 3.832 3.825 -8.865 443 HE2 LYS 59 HE2 LYS 59 3.916 5.388 -6.249 444 HE3 LYS 59 HE3 LYS 59 5.101 4.131 -6.551 445 HZ1 LYS 59 HZ1 LYS 59 5.640 5.224 -8.666 446 HZ2 LYS 59 HZ2 LYS 59 6.028 6.107 -7.377 447 HZ3 LYS 59 HZ3 LYS 59 4.695 6.514 -8.272 448 H ASP 60 HN ASP 60 -2.205 4.567 -8.351 449 HA ASP 60 HA ASP 60 -1.992 6.507 -10.498 450 HB2 ASP 60 HB2 ASP 60 -2.803 4.124 -10.617 451 HB3 ASP 60 HB3 ASP 60 -4.260 4.620 -9.745 452 H SER 61 HN SER 61 -2.055 7.797 -7.956 453 HA SER 61 HA SER 61 -4.384 9.537 -8.168 454 HB2 SER 61 HB2 SER 61 -3.577 8.368 -5.464 455 HB3 SER 61 HB3 SER 61 -4.857 9.524 -5.783 456 HG SER 61 HG SER 61 -4.815 6.820 -6.713 457 H ASP 62 HN ASP 62 -3.928 11.507 -6.487 458 HA ASP 62 HA ASP 62 -1.094 12.258 -6.694 459 HB2 ASP 62 HB2 ASP 62 -2.528 13.389 -8.386 460 HB3 ASP 62 HB3 ASP 62 -3.585 13.960 -7.092 461 H LEU 63 HN LEU 63 -0.363 12.575 -4.821 462 HA LEU 63 HA LEU 63 -2.098 12.912 -2.406 463 HB2 LEU 63 HB2 LEU 63 0.720 11.815 -2.454 464 HB3 LEU 63 HB3 LEU 63 -0.475 11.689 -1.165 465 HG LEU 63 HG LEU 63 -0.641 10.321 -3.882 466 HD11 LEU 63 HD11 LEU 63 0.107 9.300 -1.131 467 HD12 LEU 63 HD12 LEU 63 1.128 9.378 -2.572 468 HD13 LEU 63 HD13 LEU 63 -0.240 8.255 -2.533 469 HD21 LEU 63 HD21 LEU 63 -2.396 9.735 -1.474 470 HD22 LEU 63 HD22 LEU 63 -2.514 9.070 -3.099 471 HD23 LEU 63 HD23 LEU 63 -2.915 10.770 -2.830 472 H SER 64 HN SER 64 -0.514 14.970 -4.251 473 HA SER 64 HA SER 64 1.612 16.101 -2.791 474 HB2 SER 64 HB2 SER 64 0.871 16.379 -5.258 475 HB3 SER 64 HB3 SER 64 -0.263 17.587 -4.673 476 HG SER 64 HG SER 64 2.496 17.607 -4.925 477 H HIS 65 HN HIS 65 -1.895 16.561 -2.469 478 HA HIS 65 HA HIS 65 -1.442 18.690 -0.424 479 HB2 HIS 65 HB2 HIS 65 -3.767 18.453 -2.343 480 HB3 HIS 65 HB3 HIS 65 -3.514 19.694 -1.102 481 HD1 HIS 65 HD1 HIS 65 -2.339 18.705 -4.571 482 HD2 HIS 65 HD2 HIS 65 -1.498 21.503 -1.546 483 HE1 HIS 65 HE1 HIS 65 -0.702 20.388 -5.591 484 H VAL 66 HN VAL 66 -1.269 15.974 0.210 485 HA VAL 66 HA VAL 66 -3.564 15.818 2.075 486 HB VAL 66 HB VAL 66 -2.226 13.425 0.776 487 HG11 VAL 66 HG11 VAL 66 -3.016 12.910 3.010 488 HG12 VAL 66 HG12 VAL 66 -4.534 13.795 2.754 489 HG13 VAL 66 HG13 VAL 66 -4.258 12.273 1.921 490 HG21 VAL 66 HG21 VAL 66 -4.996 14.493 0.172 491 HG22 VAL 66 HG22 VAL 66 -3.596 14.445 -0.931 492 HG23 VAL 66 HG23 VAL 66 -4.313 12.942 -0.381 493 H GLN 67 HN GLN 67 -2.543 16.523 3.918 494 HA GLN 67 HA GLN 67 0.082 16.004 4.724 495 HB2 GLN 67 HB2 GLN 67 -1.411 17.572 5.869 496 HB3 GLN 67 HB3 GLN 67 -2.426 16.233 6.425 497 HG2 GLN 67 HG2 GLN 67 -0.317 15.330 7.598 498 HG3 GLN 67 HG3 GLN 67 0.424 16.888 7.229 499 HE21 GLN 67 HE21 GLN 67 -1.871 15.139 9.251 500 HE22 GLN 67 HE22 GLN 67 -1.962 16.373 10.471 501 H ASN 68 HN ASN 68 -2.814 14.161 5.784 502 HA ASN 68 HA ASN 68 -1.143 12.098 6.954 503 HB2 ASN 68 HB2 ASN 68 -4.137 12.525 6.774 504 HB3 ASN 68 HB3 ASN 68 -3.438 11.021 7.364 505 HD21 ASN 68 HD21 ASN 68 -4.833 11.917 9.227 506 HD22 ASN 68 HD22 ASN 68 -3.916 12.772 10.426 507 H LYS 69 HN LYS 69 -0.029 11.220 5.264 508 HA LYS 69 HA LYS 69 -1.198 10.169 2.904 509 HB2 LYS 69 HB2 LYS 69 1.333 9.266 4.361 510 HB3 LYS 69 HB3 LYS 69 0.928 8.903 2.695 511 HG2 LYS 69 HG2 LYS 69 1.425 11.703 3.829 512 HG3 LYS 69 HG3 LYS 69 2.530 10.790 2.828 513 HD2 LYS 69 HD2 LYS 69 0.491 10.678 1.165 514 HD3 LYS 69 HD3 LYS 69 -0.124 12.055 2.055 515 HE2 LYS 69 HE2 LYS 69 2.650 11.960 0.777 516 HE3 LYS 69 HE3 LYS 69 1.216 12.601 -0.037 517 HZ1 LYS 69 HZ1 LYS 69 0.999 14.257 1.654 518 HZ2 LYS 69 HZ2 LYS 69 2.512 14.350 1.013 519 HZ3 LYS 69 HZ3 LYS 69 2.275 13.688 2.491 520 H SER 70 HN SER 70 -0.807 8.874 6.056 521 HA SER 70 HA SER 70 -1.321 6.101 5.486 522 HB2 SER 70 HB2 SER 70 -1.913 5.969 7.929 523 HB3 SER 70 HB3 SER 70 -0.266 6.475 7.549 524 HG SER 70 HG SER 70 -0.768 7.939 8.965 525 H ALA 71 HN ALA 71 -3.476 8.680 6.931 526 HA ALA 71 HA ALA 71 -5.663 6.998 6.829 527 HB1 ALA 71 HB1 ALA 71 -5.574 9.120 8.142 528 HB2 ALA 71 HB2 ALA 71 -5.582 10.062 6.633 529 HB3 ALA 71 HB3 ALA 71 -7.003 9.132 7.109 530 H PHE 72 HN PHE 72 -4.258 8.594 4.129 531 HA PHE 72 HA PHE 72 -6.688 8.514 2.453 532 HB2 PHE 72 HB2 PHE 72 -4.769 10.065 2.083 533 HB3 PHE 72 HB3 PHE 72 -3.751 8.705 1.678 534 HD1 PHE 72 HD2 PHE 72 -4.555 7.194 -0.385 535 HD2 PHE 72 HD1 PHE 72 -5.893 11.229 0.381 536 HE1 PHE 72 HE2 PHE 72 -5.079 7.488 -2.793 537 HE2 PHE 72 HE1 PHE 72 -6.344 11.524 -2.031 538 HZ PHE 72 HZ PHE 72 -5.969 9.667 -3.613 539 H LEU 73 HN LEU 73 -3.685 6.667 2.809 540 HA LEU 73 HA LEU 73 -4.155 4.754 0.704 541 HB2 LEU 73 HB2 LEU 73 -1.942 5.250 1.490 542 HB3 LEU 73 HB3 LEU 73 -2.319 4.901 3.133 543 HG LEU 73 HG LEU 73 -0.916 3.159 1.852 544 HD11 LEU 73 HD11 LEU 73 -1.427 1.588 3.272 545 HD12 LEU 73 HD12 LEU 73 -3.202 1.810 3.148 546 HD13 LEU 73 HD13 LEU 73 -2.203 2.935 4.071 547 HD21 LEU 73 HD21 LEU 73 -3.449 2.085 0.676 548 HD22 LEU 73 HD22 LEU 73 -1.756 1.663 0.358 549 HD23 LEU 73 HD23 LEU 73 -2.402 3.208 -0.190 550 H CYS 74 HN CYS 74 -4.405 4.681 4.161 551 HA CYS 74 HA CYS 74 -5.214 2.020 4.520 552 HB2 CYS 74 HB2 CYS 74 -5.565 2.657 6.793 553 HB3 CYS 74 HB3 CYS 74 -4.459 3.848 6.225 554 HG CYS 74 HG CYS 74 -7.701 3.889 6.784 555 H GLY 75 HN GLY 75 -7.113 4.885 3.634 556 HA2 GLY 75 HA1 GLY 75 -9.746 3.786 3.872 557 HA3 GLY 75 HA2 GLY 75 -9.239 5.185 2.921 558 H VAL 76 HN VAL 76 -7.436 4.041 1.072 559 HA VAL 76 HA VAL 76 -9.127 2.819 -0.840 560 HB VAL 76 HB VAL 76 -6.093 2.475 -0.808 561 HG11 VAL 76 HG11 VAL 76 -6.334 2.592 -3.263 562 HG12 VAL 76 HG12 VAL 76 -7.186 1.231 -2.555 563 HG13 VAL 76 HG13 VAL 76 -8.104 2.671 -3.064 564 HG21 VAL 76 HG21 VAL 76 -6.453 4.870 -0.460 565 HG22 VAL 76 HG22 VAL 76 -5.986 4.607 -2.133 566 HG23 VAL 76 HG23 VAL 76 -7.692 4.906 -1.732 567 H MET 77 HN MET 77 -6.901 1.341 1.575 568 HA MET 77 HA MET 77 -7.330 -1.370 0.713 569 HB2 MET 77 HB2 MET 77 -6.864 -0.484 3.585 570 HB3 MET 77 HB3 MET 77 -6.563 -2.065 2.879 571 HG2 MET 77 HG2 MET 77 -5.128 -0.128 1.323 572 HG3 MET 77 HG3 MET 77 -4.878 0.241 3.016 573 HE1 MET 77 HE1 MET 77 -1.582 -1.185 1.790 574 HE2 MET 77 HE2 MET 77 -2.661 0.210 1.745 575 HE3 MET 77 HE3 MET 77 -2.123 -0.415 3.306 576 H LYS 78 HN LYS 78 -9.215 0.823 2.738 577 HA LYS 78 HA LYS 78 -10.829 -1.173 3.993 578 HB2 LYS 78 HB2 LYS 78 -10.508 1.362 4.639 579 HB3 LYS 78 HB3 LYS 78 -11.840 1.650 3.501 580 HG2 LYS 78 HG2 LYS 78 -13.080 -0.245 4.785 581 HG3 LYS 78 HG3 LYS 78 -11.775 -0.100 5.967 582 HD2 LYS 78 HD2 LYS 78 -12.413 2.428 6.074 583 HD3 LYS 78 HD3 LYS 78 -13.853 1.977 5.165 584 HE2 LYS 78 HE2 LYS 78 -14.339 2.029 7.559 585 HE3 LYS 78 HE3 LYS 78 -14.510 0.379 6.942 586 HZ1 LYS 78 HZ1 LYS 78 -12.428 -0.194 7.940 587 HZ2 LYS 78 HZ2 LYS 78 -13.298 0.579 9.077 588 HZ3 LYS 78 HZ3 LYS 78 -12.065 1.357 8.293 589 H THR 79 HN THR 79 -11.535 1.050 1.230 590 HA THR 79 HA THR 79 -13.976 -0.211 0.512 591 HB THR 79 HB THR 79 -13.599 1.888 -0.491 592 HG1 THR 79 HG1 THR 79 -14.471 1.061 -2.223 593 HG21 THR 79 HG21 THR 79 -11.181 2.107 -0.425 594 HG22 THR 79 HG22 THR 79 -11.828 2.524 -2.000 595 HG23 THR 79 HG23 THR 79 -11.027 0.959 -1.784 596 H TYR 80 HN TYR 80 -10.612 -0.996 -0.720 597 HA TYR 80 HA TYR 80 -11.545 -2.970 -2.424 598 HB2 TYR 80 HB2 TYR 80 -8.929 -2.359 -1.134 599 HB3 TYR 80 HB3 TYR 80 -9.103 -3.944 -1.848 600 HD1 TYR 80 HD2 TYR 80 -10.479 -3.907 -4.230 601 HD2 TYR 80 HD1 TYR 80 -8.084 -0.730 -2.592 602 HE1 TYR 80 HE2 TYR 80 -10.067 -3.082 -6.500 603 HE2 TYR 80 HE1 TYR 80 -7.574 0.077 -4.891 604 HH TYR 80 HH TYR 80 -8.829 -1.645 -7.796 605 H ARG 81 HN ARG 81 -10.936 -3.381 1.049 606 HA ARG 81 HA ARG 81 -11.275 -6.301 0.858 607 HB2 ARG 81 HB2 ARG 81 -9.956 -4.686 2.594 608 HB3 ARG 81 HB3 ARG 81 -11.436 -4.909 3.510 609 HG2 ARG 81 HG2 ARG 81 -9.716 -7.179 2.354 610 HG3 ARG 81 HG3 ARG 81 -9.486 -6.476 3.957 611 HD2 ARG 81 HD2 ARG 81 -11.875 -7.070 4.501 612 HD3 ARG 81 HD3 ARG 81 -11.902 -8.026 3.003 613 HE ARG 81 HE ARG 81 -9.691 -8.995 4.162 614 HH11 ARG 81 HH11 ARG 81 -13.103 -8.777 5.143 615 HH12 ARG 81 HH12 ARG 81 -12.983 -10.087 6.271 616 HH21 ARG 81 HH21 ARG 81 -9.463 -10.381 6.086 617 HH22 ARG 81 HH22 ARG 81 -10.904 -11.177 6.607 618 H GLN 82 HN GLN 82 -13.399 -3.626 0.861 619 HA GLN 82 HA GLN 82 -15.753 -5.277 1.539 620 HB2 GLN 82 HB2 GLN 82 -14.798 -2.579 2.563 621 HB3 GLN 82 HB3 GLN 82 -16.474 -2.990 2.513 622 HG2 GLN 82 HG2 GLN 82 -16.049 -4.991 3.951 623 HG3 GLN 82 HG3 GLN 82 -14.323 -4.615 3.959 624 HE21 GLN 82 HE21 GLN 82 -17.165 -4.236 5.738 625 HE22 GLN 82 HE22 GLN 82 -16.574 -3.001 6.830 626 H ARG 83 HN ARG 83 -15.562 -5.440 -0.866 627 HA ARG 83 HA ARG 83 -17.039 -3.207 -2.220 628 HB2 ARG 83 HB2 ARG 83 -14.890 -4.975 -3.422 629 HB3 ARG 83 HB3 ARG 83 -16.028 -4.017 -4.365 630 HG2 ARG 83 HG2 ARG 83 -14.993 -2.066 -2.765 631 HG3 ARG 83 HG3 ARG 83 -13.633 -3.204 -2.845 632 HD2 ARG 83 HD2 ARG 83 -13.331 -1.621 -4.623 633 HD3 ARG 83 HD3 ARG 83 -13.814 -3.167 -5.359 634 HE ARG 83 HE ARG 83 -16.043 -1.407 -4.725 635 HH11 ARG 83 HH11 ARG 83 -13.598 -1.972 -7.337 636 HH12 ARG 83 HH12 ARG 83 -14.624 -1.200 -8.495 637 HH21 ARG 83 HH21 ARG 83 -17.202 -0.331 -6.308 638 HH22 ARG 83 HH22 ARG 83 -16.558 -0.231 -7.934 639 H GLU 84 HN GLU 84 -18.621 -4.592 -0.979 640 HA GLU 84 HA GLU 84 -19.529 -6.890 -2.622 641 HB2 GLU 84 HB2 GLU 84 -20.452 -7.869 -0.614 642 HB3 GLU 84 HB3 GLU 84 -18.717 -7.636 -0.479 643 HG2 GLU 84 HG2 GLU 84 -19.091 -5.582 0.891 644 HG3 GLU 84 HG3 GLU 84 -20.845 -5.861 0.796 645 H LYS 85 HN LYS 85 -22.155 -6.932 -1.282 646 HA LYS 85 HA LYS 85 -23.393 -4.442 -2.218 647 HB2 LYS 85 HB2 LYS 85 -23.073 -6.646 -3.960 648 HB3 LYS 85 HB3 LYS 85 -24.703 -6.815 -3.358 649 HG2 LYS 85 HG2 LYS 85 -23.531 -4.291 -4.604 650 HG3 LYS 85 HG3 LYS 85 -24.506 -5.511 -5.428 651 HD2 LYS 85 HD2 LYS 85 -26.342 -4.999 -3.735 652 HD3 LYS 85 HD3 LYS 85 -25.402 -3.557 -3.317 653 HE2 LYS 85 HE2 LYS 85 -25.704 -2.540 -5.377 654 HE3 LYS 85 HE3 LYS 85 -25.870 -4.078 -6.239 655 HZ1 LYS 85 HZ1 LYS 85 -28.064 -4.325 -5.401 656 HZ2 LYS 85 HZ2 LYS 85 -27.980 -2.881 -6.110 657 HZ3 LYS 85 HZ3 LYS 85 -27.948 -2.946 -4.478 Start of MODEL 8 1 H1 GLY 1 HN GLY 1 14.483 -4.052 -8.150 2 HA2 GLY 1 HA1 GLY 1 13.702 -1.979 -7.253 3 HA3 GLY 1 HA2 GLY 1 13.705 -3.171 -5.939 4 H SER 2 HN SER 2 13.708 -0.698 -5.123 5 HA SER 2 HA SER 2 16.428 0.281 -4.531 6 HB2 SER 2 HB2 SER 2 13.674 1.295 -4.522 7 HB3 SER 2 HB3 SER 2 14.455 1.574 -2.972 8 HG SER 2 HG SER 2 15.297 2.503 -5.525 9 H GLU 3 HN GLU 3 16.529 0.870 -2.140 10 HA GLU 3 HA GLU 3 17.023 -1.308 -0.532 11 HB2 GLU 3 HB2 GLU 3 17.342 0.353 1.215 12 HB3 GLU 3 HB3 GLU 3 17.926 0.974 -0.324 13 HG2 GLU 3 HG2 GLU 3 15.440 2.031 -0.417 14 HG3 GLU 3 HG3 GLU 3 15.542 1.837 1.327 15 H ASN 4 HN ASN 4 13.926 0.383 -0.893 16 HA ASN 4 HA ASN 4 12.847 -0.298 1.645 17 HB2 ASN 4 HB2 ASN 4 11.005 -0.005 -0.731 18 HB3 ASN 4 HB3 ASN 4 10.813 0.567 0.914 19 HD21 ASN 4 HD21 ASN 4 12.025 1.264 -2.263 20 HD22 ASN 4 HD22 ASN 4 12.546 2.928 -1.911 21 H PHE 5 HN PHE 5 12.904 -1.914 -1.459 22 HA PHE 5 HA PHE 5 10.960 -3.798 -1.363 23 HB2 PHE 5 HB2 PHE 5 12.592 -3.397 -3.197 24 HB3 PHE 5 HB3 PHE 5 13.839 -4.208 -2.272 25 HD1 PHE 5 HD2 PHE 5 10.253 -5.019 -3.246 26 HD2 PHE 5 HD1 PHE 5 14.373 -6.299 -3.126 27 HE1 PHE 5 HE2 PHE 5 9.641 -7.169 -4.327 28 HE2 PHE 5 HE1 PHE 5 13.743 -8.416 -4.249 29 HZ PHE 5 HZ PHE 5 11.379 -8.846 -4.871 30 H GLN 6 HN GLN 6 14.217 -4.314 0.091 31 HA GLN 6 HA GLN 6 13.474 -6.946 0.954 32 HB2 GLN 6 HB2 GLN 6 15.824 -6.125 0.522 33 HB3 GLN 6 HB3 GLN 6 15.750 -5.296 2.086 34 HG2 GLN 6 HG2 GLN 6 16.905 -7.462 2.272 35 HG3 GLN 6 HG3 GLN 6 15.450 -7.433 3.257 36 HE21 GLN 6 HE21 GLN 6 13.761 -8.912 2.772 37 HE22 GLN 6 HE22 GLN 6 13.887 -10.093 1.472 38 H THR 7 HN THR 7 13.528 -3.808 2.687 39 HA THR 7 HA THR 7 12.901 -4.900 5.255 40 HB THR 7 HB THR 7 12.625 -2.157 3.948 41 HG1 THR 7 HG1 THR 7 14.466 -3.161 5.857 42 HG21 THR 7 HG21 THR 7 12.343 -2.914 6.883 43 HG22 THR 7 HG22 THR 7 11.136 -2.130 5.862 44 HG23 THR 7 HG23 THR 7 12.623 -1.254 6.290 45 H LEU 8 HN LEU 8 10.915 -3.897 2.457 46 HA LEU 8 HA LEU 8 8.367 -4.197 3.790 47 HB2 LEU 8 HB2 LEU 8 9.268 -4.423 0.899 48 HB3 LEU 8 HB3 LEU 8 7.609 -4.665 1.394 49 HG LEU 8 HG LEU 8 9.145 -2.059 1.939 50 HD11 LEU 8 HD11 LEU 8 7.971 -1.183 -0.047 51 HD12 LEU 8 HD12 LEU 8 7.404 -2.836 -0.417 52 HD13 LEU 8 HD13 LEU 8 9.132 -2.454 -0.437 53 HD21 LEU 8 HD21 LEU 8 6.865 -1.114 2.164 54 HD22 LEU 8 HD22 LEU 8 7.263 -2.293 3.413 55 HD23 LEU 8 HD23 LEU 8 6.202 -2.768 2.077 56 H LEU 9 HN LEU 9 10.413 -6.426 1.861 57 HA LEU 9 HA LEU 9 8.700 -8.700 1.980 58 HB2 LEU 9 HB2 LEU 9 11.697 -8.350 1.683 59 HB3 LEU 9 HB3 LEU 9 10.953 -9.935 1.620 60 HG LEU 9 HG LEU 9 9.976 -7.740 -0.229 61 HD11 LEU 9 HD11 LEU 9 12.308 -7.735 -0.719 62 HD12 LEU 9 HD12 LEU 9 11.574 -8.798 -1.922 63 HD13 LEU 9 HD13 LEU 9 12.430 -9.480 -0.521 64 HD21 LEU 9 HD21 LEU 9 8.685 -9.878 -0.025 65 HD22 LEU 9 HD22 LEU 9 10.130 -10.762 -0.572 66 HD23 LEU 9 HD23 LEU 9 9.355 -9.558 -1.636 67 H ASP 10 HN ASP 10 10.705 -7.285 4.439 68 HA ASP 10 HA ASP 10 10.866 -9.741 6.093 69 HB2 ASP 10 HB2 ASP 10 12.649 -8.003 6.191 70 HB3 ASP 10 HB3 ASP 10 11.473 -6.846 6.841 71 H ALA 11 HN ALA 11 8.636 -7.085 5.630 72 HA ALA 11 HA ALA 11 7.706 -6.943 8.376 73 HB1 ALA 11 HB1 ALA 11 6.632 -5.648 5.834 74 HB2 ALA 11 HB2 ALA 11 6.248 -5.184 7.499 75 HB3 ALA 11 HB3 ALA 11 7.892 -4.958 6.879 76 H GLY 12 HN GLY 12 7.280 -9.427 6.499 77 HA2 GLY 12 HA1 GLY 12 5.658 -11.075 6.810 78 HA3 GLY 12 HA2 GLY 12 4.462 -9.918 7.238 79 H LEU 13 HN LEU 13 6.230 -8.910 4.454 80 HA LEU 13 HA LEU 13 3.725 -9.279 2.970 81 HB2 LEU 13 HB2 LEU 13 6.074 -7.509 2.251 82 HB3 LEU 13 HB3 LEU 13 4.410 -7.464 1.698 83 HG LEU 13 HG LEU 13 5.035 -6.838 4.557 84 HD11 LEU 13 HD11 LEU 13 6.008 -5.096 3.116 85 HD12 LEU 13 HD12 LEU 13 4.582 -4.489 3.931 86 HD13 LEU 13 HD13 LEU 13 4.522 -4.943 2.200 87 HD21 LEU 13 HD21 LEU 13 2.769 -7.675 4.166 88 HD22 LEU 13 HD22 LEU 13 2.585 -6.612 2.758 89 HD23 LEU 13 HD23 LEU 13 2.710 -5.926 4.394 90 HA PRO 14 HA PRO 14 5.308 -12.377 0.232 91 HB2 PRO 14 HB2 PRO 14 3.732 -11.996 -1.994 92 HB3 PRO 14 HB3 PRO 14 3.066 -12.583 -0.445 93 HG2 PRO 14 HG2 PRO 14 3.181 -9.737 -1.454 94 HG3 PRO 14 HG3 PRO 14 1.732 -10.633 -0.886 95 HD2 PRO 14 HD2 PRO 14 3.019 -9.026 0.798 96 HD3 PRO 14 HD3 PRO 14 2.523 -10.651 1.365 97 H GLN 15 HN GLN 15 5.964 -12.580 -2.343 98 HA GLN 15 HA GLN 15 8.042 -10.572 -2.797 99 HB2 GLN 15 HB2 GLN 15 8.449 -12.955 -3.346 100 HB3 GLN 15 HB3 GLN 15 7.120 -12.911 -4.519 101 HG2 GLN 15 HG2 GLN 15 8.549 -12.255 -6.095 102 HG3 GLN 15 HG3 GLN 15 8.762 -10.722 -5.280 103 HE21 GLN 15 HE21 GLN 15 10.342 -10.951 -3.224 104 HE22 GLN 15 HE22 GLN 15 11.870 -11.704 -3.598 105 H LYS 16 HN LYS 16 5.045 -11.680 -4.423 106 HA LYS 16 HA LYS 16 5.466 -10.026 -6.611 107 HB2 LYS 16 HB2 LYS 16 3.083 -11.562 -5.507 108 HB3 LYS 16 HB3 LYS 16 2.803 -10.475 -6.858 109 HG2 LYS 16 HG2 LYS 16 4.965 -12.612 -6.977 110 HG3 LYS 16 HG3 LYS 16 3.279 -12.870 -7.451 111 HD2 LYS 16 HD2 LYS 16 3.589 -10.738 -8.915 112 HD3 LYS 16 HD3 LYS 16 5.321 -11.029 -8.729 113 HE2 LYS 16 HE2 LYS 16 5.246 -13.016 -9.970 114 HE3 LYS 16 HE3 LYS 16 3.551 -13.327 -9.550 115 HZ1 LYS 16 HZ1 LYS 16 3.707 -12.605 -11.847 116 HZ2 LYS 16 HZ2 LYS 16 4.410 -11.161 -11.384 117 HZ3 LYS 16 HZ3 LYS 16 2.883 -11.527 -10.942 118 H VAL 17 HN VAL 17 3.664 -9.197 -3.694 119 HA VAL 17 HA VAL 17 2.584 -6.762 -4.822 120 HB VAL 17 HB VAL 17 2.899 -7.546 -1.908 121 HG11 VAL 17 HG11 VAL 17 1.052 -5.532 -3.252 122 HG12 VAL 17 HG12 VAL 17 1.112 -5.935 -1.507 123 HG13 VAL 17 HG13 VAL 17 2.480 -5.149 -2.269 124 HG21 VAL 17 HG21 VAL 17 0.570 -8.292 -1.981 125 HG22 VAL 17 HG22 VAL 17 0.513 -7.946 -3.725 126 HG23 VAL 17 HG23 VAL 17 1.532 -9.248 -3.109 127 H ALA 18 HN ALA 18 5.223 -7.401 -2.392 128 HA ALA 18 HA ALA 18 6.271 -4.954 -2.127 129 HB1 ALA 18 HB1 ALA 18 7.818 -7.570 -2.326 130 HB2 ALA 18 HB2 ALA 18 8.542 -6.031 -1.810 131 HB3 ALA 18 HB3 ALA 18 7.258 -6.735 -0.852 132 H GLU 19 HN GLU 19 6.935 -7.093 -4.913 133 HA GLU 19 HA GLU 19 8.930 -5.613 -6.177 134 HB2 GLU 19 HB2 GLU 19 6.875 -7.673 -6.854 135 HB3 GLU 19 HB3 GLU 19 7.259 -6.680 -8.221 136 HG2 GLU 19 HG2 GLU 19 9.656 -7.693 -6.719 137 HG3 GLU 19 HG3 GLU 19 8.652 -8.912 -7.466 138 H LYS 20 HN LYS 20 5.449 -4.909 -6.144 139 HA LYS 20 HA LYS 20 5.894 -2.550 -7.961 140 HB2 LYS 20 HB2 LYS 20 3.455 -4.025 -6.895 141 HB3 LYS 20 HB3 LYS 20 3.329 -2.324 -7.259 142 HG2 LYS 20 HG2 LYS 20 2.534 -3.447 -9.127 143 HG3 LYS 20 HG3 LYS 20 4.060 -2.714 -9.600 144 HD2 LYS 20 HD2 LYS 20 3.826 -5.630 -8.763 145 HD3 LYS 20 HD3 LYS 20 3.447 -5.128 -10.404 146 HE2 LYS 20 HE2 LYS 20 6.147 -4.607 -9.103 147 HE3 LYS 20 HE3 LYS 20 5.776 -6.064 -10.019 148 HZ1 LYS 20 HZ1 LYS 20 6.907 -4.403 -11.268 149 HZ2 LYS 20 HZ2 LYS 20 5.681 -3.328 -11.122 150 HZ3 LYS 20 HZ3 LYS 20 5.447 -4.761 -11.956 151 H LEU 21 HN LEU 21 5.312 -3.469 -4.586 152 HA LEU 21 HA LEU 21 4.452 -0.855 -3.698 153 HB2 LEU 21 HB2 LEU 21 4.040 -3.320 -2.844 154 HB3 LEU 21 HB3 LEU 21 5.524 -3.014 -1.941 155 HG LEU 21 HG LEU 21 3.587 -0.801 -1.681 156 HD11 LEU 21 HD11 LEU 21 1.908 -1.873 -0.372 157 HD12 LEU 21 HD12 LEU 21 2.758 -3.433 -0.388 158 HD13 LEU 21 HD13 LEU 21 2.021 -2.830 -1.860 159 HD21 LEU 21 HD21 LEU 21 4.696 -2.652 0.436 160 HD22 LEU 21 HD22 LEU 21 4.225 -0.928 0.568 161 HD23 LEU 21 HD23 LEU 21 5.646 -1.417 -0.403 162 H ASP 22 HN ASP 22 7.657 -2.300 -3.982 163 HA ASP 22 HA ASP 22 9.117 -0.608 -2.219 164 HB2 ASP 22 HB2 ASP 22 10.159 -2.495 -3.270 165 HB3 ASP 22 HB3 ASP 22 9.707 -1.964 -4.876 166 H GLU 23 HN GLU 23 8.109 -0.080 -5.571 167 HA GLU 23 HA GLU 23 9.545 2.266 -6.150 168 HB2 GLU 23 HB2 GLU 23 7.134 0.830 -7.231 169 HB3 GLU 23 HB3 GLU 23 7.238 2.530 -7.633 170 HG2 GLU 23 HG2 GLU 23 9.822 1.568 -8.187 171 HG3 GLU 23 HG3 GLU 23 8.758 0.266 -8.713 172 H ILE 24 HN ILE 24 6.612 1.837 -4.326 173 HA ILE 24 HA ILE 24 5.570 4.519 -4.630 174 HB ILE 24 HB ILE 24 5.155 2.359 -2.497 175 HG12 ILE 24 HG12 ILE 24 3.642 2.938 -5.088 176 HG13 ILE 24 HG13 ILE 24 4.575 1.497 -4.703 177 HG21 ILE 24 HG21 ILE 24 4.367 4.569 -1.705 178 HG22 ILE 24 HG22 ILE 24 3.185 4.580 -3.024 179 HG23 ILE 24 HG23 ILE 24 3.156 3.310 -1.764 180 HD11 ILE 24 HD11 ILE 24 1.898 2.283 -3.530 181 HD12 ILE 24 HD12 ILE 24 2.306 0.884 -4.532 182 HD13 ILE 24 HD13 ILE 24 2.916 0.983 -2.867 183 H TYR 25 HN TYR 25 7.945 3.014 -2.525 184 HA TYR 25 HA TYR 25 8.129 5.408 -0.796 185 HB2 TYR 25 HB2 TYR 25 9.762 2.865 -0.890 186 HB3 TYR 25 HB3 TYR 25 9.942 4.152 0.333 187 HD1 TYR 25 HD1 TYR 25 7.817 4.749 1.735 188 HD2 TYR 25 HD2 TYR 25 8.149 1.210 -0.707 189 HE1 TYR 25 HE1 TYR 25 5.696 3.861 2.715 190 HE2 TYR 25 HE2 TYR 25 6.128 0.336 0.298 191 HH TYR 25 HH TYR 25 4.033 1.227 1.274 192 H VAL 26 HN VAL 26 9.650 4.213 -3.717 193 HA VAL 26 HA VAL 26 12.184 5.485 -3.386 194 HB VAL 26 HB VAL 26 10.688 4.667 -5.919 195 HG11 VAL 26 HG11 VAL 26 13.634 5.328 -5.486 196 HG12 VAL 26 HG12 VAL 26 12.960 4.547 -6.935 197 HG13 VAL 26 HG13 VAL 26 12.485 6.195 -6.527 198 HG21 VAL 26 HG21 VAL 26 11.076 2.758 -4.423 199 HG22 VAL 26 HG22 VAL 26 12.195 2.663 -5.780 200 HG23 VAL 26 HG23 VAL 26 12.749 3.266 -4.194 201 H ALA 27 HN ALA 27 9.166 6.607 -4.987 202 HA ALA 27 HA ALA 27 10.511 8.771 -6.279 203 HB1 ALA 27 HB1 ALA 27 7.521 8.655 -5.982 204 HB2 ALA 27 HB2 ALA 27 8.484 9.094 -7.387 205 HB3 ALA 27 HB3 ALA 27 8.327 7.380 -6.917 206 H GLY 28 HN GLY 28 9.498 8.568 -3.064 207 HA2 GLY 28 HA1 GLY 28 9.341 10.167 -1.450 208 HA3 GLY 28 HA2 GLY 28 9.448 11.445 -2.663 209 H LEU 29 HN LEU 29 7.153 8.757 -2.716 210 HA LEU 29 HA LEU 29 4.867 10.644 -2.801 211 HB2 LEU 29 HB2 LEU 29 4.910 7.604 -2.905 212 HB3 LEU 29 HB3 LEU 29 3.486 8.607 -3.018 213 HG LEU 29 HG LEU 29 5.479 9.500 -4.990 214 HD11 LEU 29 HD11 LEU 29 6.259 7.189 -4.928 215 HD12 LEU 29 HD12 LEU 29 5.401 7.508 -6.451 216 HD13 LEU 29 HD13 LEU 29 4.633 6.585 -5.141 217 HD21 LEU 29 HD21 LEU 29 3.138 10.111 -5.114 218 HD22 LEU 29 HD22 LEU 29 2.643 8.417 -5.213 219 HD23 LEU 29 HD23 LEU 29 3.569 9.159 -6.538 220 H VAL 30 HN VAL 30 6.272 8.021 -0.707 221 HA VAL 30 HA VAL 30 4.890 9.276 1.575 222 HB VAL 30 HB VAL 30 3.887 7.193 2.315 223 HG11 VAL 30 HG11 VAL 30 2.498 8.431 0.604 224 HG12 VAL 30 HG12 VAL 30 3.150 7.359 -0.634 225 HG13 VAL 30 HG13 VAL 30 2.212 6.690 0.716 226 HG21 VAL 30 HG21 VAL 30 3.911 5.139 0.897 227 HG22 VAL 30 HG22 VAL 30 5.060 5.950 -0.204 228 HG23 VAL 30 HG23 VAL 30 5.511 5.608 1.471 229 H ALA 31 HN ALA 31 5.894 8.902 3.582 230 HA ALA 31 HA ALA 31 8.533 7.570 3.605 231 HB1 ALA 31 HB1 ALA 31 8.029 9.520 5.093 232 HB2 ALA 31 HB2 ALA 31 6.778 8.548 5.896 233 HB3 ALA 31 HB3 ALA 31 8.476 8.054 5.996 234 H HIS 32 HN HIS 32 8.878 5.483 4.520 235 HA HIS 32 HA HIS 32 6.687 3.626 4.580 236 HB2 HIS 32 HB2 HIS 32 8.246 2.022 5.376 237 HB3 HIS 32 HB3 HIS 32 8.991 2.948 4.090 238 HD1 HIS 32 HD1 HIS 32 9.342 2.183 7.826 239 HD2 HIS 32 HD2 HIS 32 11.096 4.579 4.796 240 HE1 HIS 32 HE1 HIS 32 11.559 3.016 8.733 241 H SER 33 HN SER 33 8.434 5.358 7.197 242 HA SER 33 HA SER 33 6.522 4.514 9.210 243 HB2 SER 33 HB2 SER 33 8.634 6.572 9.314 244 HB3 SER 33 HB3 SER 33 7.734 5.941 10.699 245 HG SER 33 HG SER 33 9.659 4.795 10.533 246 H ASP 34 HN ASP 34 5.520 6.190 6.707 247 HA ASP 34 HA ASP 34 4.045 8.235 8.289 248 HB2 ASP 34 HB2 ASP 34 4.474 8.343 5.663 249 HB3 ASP 34 HB3 ASP 34 3.117 7.244 5.586 250 H LEU 35 HN LEU 35 3.826 4.932 6.911 251 HA LEU 35 HA LEU 35 1.053 4.601 7.322 252 HB2 LEU 35 HB2 LEU 35 3.306 2.567 7.055 253 HB3 LEU 35 HB3 LEU 35 1.601 2.166 7.118 254 HG LEU 35 HG LEU 35 2.025 2.098 4.913 255 HD11 LEU 35 HD11 LEU 35 1.142 4.986 5.032 256 HD12 LEU 35 HD12 LEU 35 0.074 3.600 5.409 257 HD13 LEU 35 HD13 LEU 35 0.774 3.744 3.793 258 HD21 LEU 35 HD21 LEU 35 3.627 4.672 4.912 259 HD22 LEU 35 HD22 LEU 35 3.280 3.646 3.514 260 HD23 LEU 35 HD23 LEU 35 4.275 3.026 4.831 261 H ASP 36 HN ASP 36 -0.162 3.941 8.950 262 HA ASP 36 HA ASP 36 1.071 3.385 11.570 263 HB2 ASP 36 HB2 ASP 36 -1.139 3.734 12.448 264 HB3 ASP 36 HB3 ASP 36 -0.721 5.113 11.476 265 H GLU 37 HN GLU 37 -0.181 1.734 12.746 266 HA GLU 37 HA GLU 37 0.368 -0.763 11.696 267 HB2 GLU 37 HB2 GLU 37 0.180 -0.102 14.061 268 HB3 GLU 37 HB3 GLU 37 -1.576 0.036 13.896 269 HG2 GLU 37 HG2 GLU 37 -1.840 -2.325 13.616 270 HG3 GLU 37 HG3 GLU 37 -0.104 -2.562 13.315 271 H ARG 38 HN ARG 38 -2.626 1.077 11.430 272 HA ARG 38 HA ARG 38 -4.417 -1.037 10.792 273 HB2 ARG 38 HB2 ARG 38 -4.445 1.867 9.954 274 HB3 ARG 38 HB3 ARG 38 -5.792 0.761 9.733 275 HG2 ARG 38 HG2 ARG 38 -4.680 0.948 12.543 276 HG3 ARG 38 HG3 ARG 38 -5.510 2.338 11.892 277 HD2 ARG 38 HD2 ARG 38 -7.035 0.918 13.159 278 HD3 ARG 38 HD3 ARG 38 -7.509 1.087 11.458 279 HE ARG 38 HE ARG 38 -5.922 -1.281 12.253 280 HH11 ARG 38 HH11 ARG 38 -9.214 -0.072 11.815 281 HH12 ARG 38 HH12 ARG 38 -9.859 -1.590 11.290 282 HH21 ARG 38 HH21 ARG 38 -6.707 -3.259 11.711 283 HH22 ARG 38 HH22 ARG 38 -8.347 -3.552 11.239 284 H ALA 39 HN ALA 39 -2.109 0.764 8.831 285 HA ALA 39 HA ALA 39 -3.041 -0.370 6.297 286 HB1 ALA 39 HB1 ALA 39 -0.554 1.241 7.042 287 HB2 ALA 39 HB2 ALA 39 -1.021 0.772 5.393 288 HB3 ALA 39 HB3 ALA 39 -2.059 1.874 6.333 289 H ILE 40 HN ILE 40 -0.304 -0.844 8.559 290 HA ILE 40 HA ILE 40 1.149 -2.762 7.027 291 HB ILE 40 HB ILE 40 0.911 -2.614 10.070 292 HG12 ILE 40 HG12 ILE 40 1.478 -0.402 9.417 293 HG13 ILE 40 HG13 ILE 40 2.897 -1.175 10.057 294 HG21 ILE 40 HG21 ILE 40 3.169 -3.657 8.326 295 HG22 ILE 40 HG22 ILE 40 3.230 -3.500 10.080 296 HG23 ILE 40 HG23 ILE 40 2.091 -4.634 9.327 297 HD11 ILE 40 HD11 ILE 40 3.442 0.219 8.126 298 HD12 ILE 40 HD12 ILE 40 3.772 -1.478 7.749 299 HD13 ILE 40 HD13 ILE 40 2.316 -0.677 7.104 300 H GLU 41 HN GLU 41 -1.348 -3.222 9.556 301 HA GLU 41 HA GLU 41 -1.510 -6.025 9.518 302 HB2 GLU 41 HB2 GLU 41 -2.551 -4.607 11.241 303 HB3 GLU 41 HB3 GLU 41 -3.514 -3.760 10.040 304 HG2 GLU 41 HG2 GLU 41 -4.914 -5.252 11.316 305 HG3 GLU 41 HG3 GLU 41 -4.872 -5.732 9.625 306 H ALA 42 HN ALA 42 -3.506 -3.657 7.694 307 HA ALA 42 HA ALA 42 -5.085 -5.540 6.360 308 HB1 ALA 42 HB1 ALA 42 -5.564 -3.652 4.799 309 HB2 ALA 42 HB2 ALA 42 -5.636 -3.166 6.501 310 HB3 ALA 42 HB3 ALA 42 -4.213 -2.741 5.513 311 H LEU 43 HN LEU 43 -1.903 -4.176 5.421 312 HA LEU 43 HA LEU 43 -1.907 -5.060 2.799 313 HB2 LEU 43 HB2 LEU 43 0.079 -4.139 4.759 314 HB3 LEU 43 HB3 LEU 43 0.777 -5.265 3.648 315 HG LEU 43 HG LEU 43 -0.741 -2.776 2.913 316 HD11 LEU 43 HD11 LEU 43 1.460 -1.922 2.163 317 HD12 LEU 43 HD12 LEU 43 2.226 -3.429 2.697 318 HD13 LEU 43 HD13 LEU 43 1.473 -2.340 3.884 319 HD21 LEU 43 HD21 LEU 43 -1.045 -4.380 1.034 320 HD22 LEU 43 HD22 LEU 43 0.703 -4.688 1.020 321 HD23 LEU 43 HD23 LEU 43 0.050 -3.103 0.569 322 H LYS 44 HN LYS 44 -1.103 -6.975 5.686 323 HA LYS 44 HA LYS 44 -0.181 -9.286 4.172 324 HB2 LYS 44 HB2 LYS 44 -0.814 -8.642 7.017 325 HB3 LYS 44 HB3 LYS 44 -1.262 -10.279 6.537 326 HG2 LYS 44 HG2 LYS 44 0.870 -10.848 7.022 327 HG3 LYS 44 HG3 LYS 44 1.233 -10.212 5.448 328 HD2 LYS 44 HD2 LYS 44 2.742 -8.963 6.545 329 HD3 LYS 44 HD3 LYS 44 1.435 -7.906 6.891 330 HE2 LYS 44 HE2 LYS 44 1.010 -9.108 9.060 331 HE3 LYS 44 HE3 LYS 44 2.450 -10.081 8.753 332 HZ1 LYS 44 HZ1 LYS 44 2.901 -8.148 10.186 333 HZ2 LYS 44 HZ2 LYS 44 2.451 -7.128 8.951 334 HZ3 LYS 44 HZ3 LYS 44 3.765 -8.052 8.784 335 H GLU 45 HN GLU 45 -3.419 -8.062 5.029 336 HA GLU 45 HA GLU 45 -4.667 -10.624 4.744 337 HB2 GLU 45 HB2 GLU 45 -5.978 -7.894 4.673 338 HB3 GLU 45 HB3 GLU 45 -6.748 -9.437 5.014 339 HG2 GLU 45 HG2 GLU 45 -5.229 -9.667 7.021 340 HG3 GLU 45 HG3 GLU 45 -4.778 -7.982 6.812 341 H PHE 46 HN PHE 46 -3.569 -8.443 2.348 342 HA PHE 46 HA PHE 46 -5.729 -9.074 0.463 343 HB2 PHE 46 HB2 PHE 46 -3.276 -7.296 0.265 344 HB3 PHE 46 HB3 PHE 46 -4.409 -7.604 -1.053 345 HD1 PHE 46 HD1 PHE 46 -6.972 -7.224 -0.526 346 HD2 PHE 46 HD2 PHE 46 -3.706 -5.391 1.603 347 HE1 PHE 46 HE1 PHE 46 -8.493 -5.485 0.291 348 HE2 PHE 46 HE2 PHE 46 -5.226 -3.629 2.428 349 HZ PHE 46 HZ PHE 46 -7.657 -3.698 1.804 350 H ASN 47 HN ASN 47 -5.608 -10.419 -1.041 351 HA ASN 47 HA ASN 47 -3.461 -12.320 -1.534 352 HB2 ASN 47 HB2 ASN 47 -4.826 -13.118 -3.371 353 HB3 ASN 47 HB3 ASN 47 -5.854 -12.836 -2.006 354 HD21 ASN 47 HD21 ASN 47 -5.727 -12.420 -5.287 355 HD22 ASN 47 HD22 ASN 47 -6.906 -11.127 -5.401 356 H GLU 48 HN GLU 48 -2.806 -12.607 -3.901 357 HA GLU 48 HA GLU 48 -0.918 -10.856 -4.625 358 HB2 GLU 48 HB2 GLU 48 -1.470 -13.286 -5.343 359 HB3 GLU 48 HB3 GLU 48 -2.493 -12.560 -6.588 360 HG2 GLU 48 HG2 GLU 48 -0.358 -11.144 -7.114 361 HG3 GLU 48 HG3 GLU 48 0.471 -12.411 -6.180 362 H ASP 49 HN ASP 49 -4.070 -11.109 -6.385 363 HA ASP 49 HA ASP 49 -3.479 -8.708 -7.931 364 HB2 ASP 49 HB2 ASP 49 -4.703 -10.624 -8.893 365 HB3 ASP 49 HB3 ASP 49 -6.023 -10.332 -7.762 366 H GLY 50 HN GLY 50 -5.572 -9.549 -5.099 367 HA2 GLY 50 HA1 GLY 50 -7.101 -7.172 -5.159 368 HA3 GLY 50 HA2 GLY 50 -6.821 -8.193 -3.736 369 H ALA 51 HN ALA 51 -3.933 -7.919 -3.697 370 HA ALA 51 HA ALA 51 -3.583 -5.439 -2.290 371 HB1 ALA 51 HB1 ALA 51 -1.193 -6.102 -2.302 372 HB2 ALA 51 HB2 ALA 51 -2.216 -7.457 -1.798 373 HB3 ALA 51 HB3 ALA 51 -1.577 -7.415 -3.445 374 H LEU 52 HN LEU 52 -2.521 -6.607 -5.545 375 HA LEU 52 HA LEU 52 -1.070 -4.235 -6.239 376 HB2 LEU 52 HB2 LEU 52 -2.472 -6.316 -7.958 377 HB3 LEU 52 HB3 LEU 52 -1.464 -5.027 -8.614 378 HG LEU 52 HG LEU 52 -0.380 -6.953 -6.538 379 HD11 LEU 52 HD11 LEU 52 -1.136 -8.366 -8.346 380 HD12 LEU 52 HD12 LEU 52 0.624 -8.210 -8.502 381 HD13 LEU 52 HD13 LEU 52 -0.454 -7.281 -9.553 382 HD21 LEU 52 HD21 LEU 52 0.942 -4.914 -6.887 383 HD22 LEU 52 HD22 LEU 52 0.997 -5.240 -8.626 384 HD23 LEU 52 HD23 LEU 52 1.803 -6.335 -7.483 385 H ALA 53 HN ALA 53 -4.522 -5.101 -6.708 386 HA ALA 53 HA ALA 53 -5.285 -2.811 -8.135 387 HB1 ALA 53 HB1 ALA 53 -7.516 -3.346 -7.434 388 HB2 ALA 53 HB2 ALA 53 -6.655 -4.864 -7.731 389 HB3 ALA 53 HB3 ALA 53 -6.933 -4.318 -6.059 390 H VAL 54 HN VAL 54 -5.050 -3.235 -4.550 391 HA VAL 54 HA VAL 54 -5.935 -0.640 -3.799 392 HB VAL 54 HB VAL 54 -3.793 -2.422 -2.499 393 HG11 VAL 54 HG11 VAL 54 -5.178 -0.052 -1.222 394 HG12 VAL 54 HG12 VAL 54 -4.022 -1.204 -0.485 395 HG13 VAL 54 HG13 VAL 54 -3.475 -0.104 -1.737 396 HG21 VAL 54 HG21 VAL 54 -6.610 -1.947 -1.528 397 HG22 VAL 54 HG22 VAL 54 -6.208 -3.308 -2.587 398 HG23 VAL 54 HG23 VAL 54 -5.458 -3.187 -0.996 399 H LEU 55 HN LEU 55 -2.853 -1.732 -5.139 400 HA LEU 55 HA LEU 55 -1.365 0.630 -4.214 401 HB2 LEU 55 HB2 LEU 55 -0.497 -1.417 -6.308 402 HB3 LEU 55 HB3 LEU 55 0.502 -0.221 -5.519 403 HG LEU 55 HG LEU 55 -0.656 -2.752 -4.388 404 HD11 LEU 55 HD11 LEU 55 2.185 -1.693 -4.455 405 HD12 LEU 55 HD12 LEU 55 1.469 -2.785 -5.652 406 HD13 LEU 55 HD13 LEU 55 1.649 -3.329 -3.985 407 HD21 LEU 55 HD21 LEU 55 0.726 -0.654 -2.669 408 HD22 LEU 55 HD22 LEU 55 0.012 -2.225 -2.164 409 HD23 LEU 55 HD23 LEU 55 -1.035 -0.938 -2.673 410 H GLN 56 HN GLN 56 -2.593 -0.708 -7.244 411 HA GLN 56 HA GLN 56 -1.874 1.318 -9.008 412 HB2 GLN 56 HB2 GLN 56 -2.668 -0.929 -9.556 413 HB3 GLN 56 HB3 GLN 56 -4.274 -0.554 -8.920 414 HG2 GLN 56 HG2 GLN 56 -4.545 1.192 -10.652 415 HG3 GLN 56 HG3 GLN 56 -2.967 0.751 -11.344 416 HE21 GLN 56 HE21 GLN 56 -2.768 -1.827 -11.582 417 HE22 GLN 56 HE22 GLN 56 -4.135 -2.646 -12.288 418 H GLN 57 HN GLN 57 -5.005 0.947 -7.215 419 HA GLN 57 HA GLN 57 -6.097 3.353 -8.386 420 HB2 GLN 57 HB2 GLN 57 -7.393 1.504 -7.171 421 HB3 GLN 57 HB3 GLN 57 -6.855 2.234 -5.660 422 HG2 GLN 57 HG2 GLN 57 -7.904 4.443 -6.486 423 HG3 GLN 57 HG3 GLN 57 -8.620 3.502 -7.799 424 HE21 GLN 57 HE21 GLN 57 -9.641 1.236 -6.684 425 HE22 GLN 57 HE22 GLN 57 -10.739 1.659 -5.364 426 H PHE 58 HN PHE 58 -4.306 2.702 -5.454 427 HA PHE 58 HA PHE 58 -4.451 5.257 -4.185 428 HB2 PHE 58 HB2 PHE 58 -3.872 3.277 -2.957 429 HB3 PHE 58 HB3 PHE 58 -2.562 2.884 -4.077 430 HD1 PHE 58 HD2 PHE 58 -3.453 5.977 -2.156 431 HD2 PHE 58 HD1 PHE 58 -0.537 2.907 -3.009 432 HE1 PHE 58 HE2 PHE 58 -1.866 7.057 -0.629 433 HE2 PHE 58 HE1 PHE 58 1.062 4.009 -1.446 434 HZ PHE 58 HZ PHE 58 0.404 6.095 -0.293 435 H LYS 59 HN LYS 59 -1.918 3.800 -6.321 436 HA LYS 59 HA LYS 59 -0.386 6.212 -6.337 437 HB2 LYS 59 HB2 LYS 59 0.385 3.742 -6.648 438 HB3 LYS 59 HB3 LYS 59 -0.155 3.924 -8.314 439 HG2 LYS 59 HG2 LYS 59 2.279 4.301 -7.954 440 HG3 LYS 59 HG3 LYS 59 1.470 5.675 -8.703 441 HD2 LYS 59 HD2 LYS 59 3.212 6.179 -6.980 442 HD3 LYS 59 HD3 LYS 59 1.687 7.011 -6.788 443 HE2 LYS 59 HE2 LYS 59 1.943 4.409 -5.296 444 HE3 LYS 59 HE3 LYS 59 3.057 5.673 -4.802 445 HZ1 LYS 59 HZ1 LYS 59 0.978 7.138 -4.650 446 HZ2 LYS 59 HZ2 LYS 59 1.216 6.026 -3.445 447 HZ3 LYS 59 HZ3 LYS 59 0.134 5.769 -4.652 448 H ASP 60 HN ASP 60 -2.897 5.048 -8.482 449 HA ASP 60 HA ASP 60 -2.569 7.306 -10.278 450 HB2 ASP 60 HB2 ASP 60 -4.733 5.221 -9.801 451 HB3 ASP 60 HB3 ASP 60 -5.013 6.585 -10.865 452 H SER 61 HN SER 61 -3.321 7.387 -7.022 453 HA SER 61 HA SER 61 -5.324 9.565 -7.280 454 HB2 SER 61 HB2 SER 61 -3.982 8.506 -4.767 455 HB3 SER 61 HB3 SER 61 -5.342 9.605 -4.881 456 HG SER 61 HG SER 61 -5.402 6.963 -5.959 457 H ASP 62 HN ASP 62 -4.562 11.530 -5.706 458 HA ASP 62 HA ASP 62 -1.957 12.401 -6.843 459 HB2 ASP 62 HB2 ASP 62 -3.957 13.302 -8.052 460 HB3 ASP 62 HB3 ASP 62 -4.360 14.225 -6.582 461 H LEU 63 HN LEU 63 -0.782 12.080 -5.035 462 HA LEU 63 HA LEU 63 -1.881 12.646 -2.423 463 HB2 LEU 63 HB2 LEU 63 0.705 11.489 -3.514 464 HB3 LEU 63 HB3 LEU 63 0.566 11.792 -1.804 465 HG LEU 63 HG LEU 63 -1.324 10.022 -3.404 466 HD11 LEU 63 HD11 LEU 63 0.790 9.241 -1.362 467 HD12 LEU 63 HD12 LEU 63 1.027 9.178 -3.121 468 HD13 LEU 63 HD13 LEU 63 -0.230 8.160 -2.369 469 HD21 LEU 63 HD21 LEU 63 -2.417 10.991 -1.318 470 HD22 LEU 63 HD22 LEU 63 -1.115 10.256 -0.353 471 HD23 LEU 63 HD23 LEU 63 -2.251 9.263 -1.324 472 H SER 64 HN SER 64 -0.516 14.760 -4.543 473 HA SER 64 HA SER 64 1.366 16.298 -3.245 474 HB2 SER 64 HB2 SER 64 0.549 16.576 -5.570 475 HB3 SER 64 HB3 SER 64 -0.992 17.200 -4.953 476 HG SER 64 HG SER 64 0.266 18.877 -5.541 477 H HIS 65 HN HIS 65 -2.187 16.879 -3.088 478 HA HIS 65 HA HIS 65 -1.813 18.790 -0.903 479 HB2 HIS 65 HB2 HIS 65 -4.209 17.927 -2.557 480 HB3 HIS 65 HB3 HIS 65 -4.256 19.190 -1.331 481 HD1 HIS 65 HD1 HIS 65 -5.072 20.217 -4.077 482 HD2 HIS 65 HD2 HIS 65 -1.049 19.944 -2.804 483 HE1 HIS 65 HE1 HIS 65 -3.762 21.933 -5.406 484 H VAL 66 HN VAL 66 -1.228 16.022 -0.194 485 HA VAL 66 HA VAL 66 -3.342 15.540 1.854 486 HB VAL 66 HB VAL 66 -1.874 13.554 0.128 487 HG11 VAL 66 HG11 VAL 66 -2.958 11.759 1.426 488 HG12 VAL 66 HG12 VAL 66 -1.843 12.679 2.425 489 HG13 VAL 66 HG13 VAL 66 -3.585 12.967 2.569 490 HG21 VAL 66 HG21 VAL 66 -3.938 12.680 -0.575 491 HG22 VAL 66 HG22 VAL 66 -4.834 13.864 0.421 492 HG23 VAL 66 HG23 VAL 66 -3.838 14.389 -0.966 493 H GLN 67 HN GLN 67 -2.499 15.889 3.780 494 HA GLN 67 HA GLN 67 0.346 16.171 4.302 495 HB2 GLN 67 HB2 GLN 67 -1.871 15.792 6.344 496 HB3 GLN 67 HB3 GLN 67 -0.324 16.553 6.604 497 HG2 GLN 67 HG2 GLN 67 -0.982 18.571 5.622 498 HG3 GLN 67 HG3 GLN 67 -2.268 17.847 4.660 499 HE21 GLN 67 HE21 GLN 67 -3.951 16.518 6.234 500 HE22 GLN 67 HE22 GLN 67 -4.443 17.384 7.653 501 H ASN 68 HN ASN 68 -2.234 13.827 5.128 502 HA ASN 68 HA ASN 68 -0.369 12.137 6.640 503 HB2 ASN 68 HB2 ASN 68 -2.449 11.329 7.701 504 HB3 ASN 68 HB3 ASN 68 -2.108 13.028 7.979 505 HD21 ASN 68 HD21 ASN 68 -4.623 12.020 8.530 506 HD22 ASN 68 HD22 ASN 68 -5.756 12.697 7.354 507 H LYS 69 HN LYS 69 0.474 11.164 4.846 508 HA LYS 69 HA LYS 69 -0.798 9.990 2.644 509 HB2 LYS 69 HB2 LYS 69 1.754 9.260 4.133 510 HB3 LYS 69 HB3 LYS 69 1.251 8.430 2.721 511 HG2 LYS 69 HG2 LYS 69 2.943 9.999 2.188 512 HG3 LYS 69 HG3 LYS 69 1.445 10.316 1.300 513 HD2 LYS 69 HD2 LYS 69 0.972 12.196 2.605 514 HD3 LYS 69 HD3 LYS 69 2.182 11.803 3.830 515 HE2 LYS 69 HE2 LYS 69 2.893 13.688 2.344 516 HE3 LYS 69 HE3 LYS 69 4.018 12.324 2.334 517 HZ1 LYS 69 HZ1 LYS 69 3.576 13.228 0.112 518 HZ2 LYS 69 HZ2 LYS 69 1.983 12.792 0.246 519 HZ3 LYS 69 HZ3 LYS 69 3.176 11.662 0.213 520 H SER 70 HN SER 70 -0.456 8.647 5.956 521 HA SER 70 HA SER 70 -0.928 5.917 5.266 522 HB2 SER 70 HB2 SER 70 -1.268 5.628 7.673 523 HB3 SER 70 HB3 SER 70 0.190 6.563 7.281 524 HG SER 70 HG SER 70 -0.837 7.532 8.933 525 H ALA 71 HN ALA 71 -3.047 8.363 6.778 526 HA ALA 71 HA ALA 71 -5.379 6.806 6.769 527 HB1 ALA 71 HB1 ALA 71 -5.135 8.928 8.056 528 HB2 ALA 71 HB2 ALA 71 -5.135 9.847 6.530 529 HB3 ALA 71 HB3 ALA 71 -6.589 8.964 7.038 530 H PHE 72 HN PHE 72 -3.999 8.775 4.189 531 HA PHE 72 HA PHE 72 -6.369 8.645 2.514 532 HB2 PHE 72 HB2 PHE 72 -4.514 10.238 2.126 533 HB3 PHE 72 HB3 PHE 72 -3.473 8.914 1.597 534 HD1 PHE 72 HD2 PHE 72 -4.246 7.509 -0.458 535 HD2 PHE 72 HD1 PHE 72 -6.032 11.287 0.624 536 HE1 PHE 72 HE2 PHE 72 -5.334 7.633 -2.680 537 HE2 PHE 72 HE1 PHE 72 -7.116 11.398 -1.610 538 HZ PHE 72 HZ PHE 72 -6.774 9.586 -3.250 539 H LEU 73 HN LEU 73 -3.451 6.683 2.726 540 HA LEU 73 HA LEU 73 -3.997 4.865 0.535 541 HB2 LEU 73 HB2 LEU 73 -1.781 5.200 1.264 542 HB3 LEU 73 HB3 LEU 73 -2.130 4.969 2.928 543 HG LEU 73 HG LEU 73 -0.791 3.144 1.678 544 HD11 LEU 73 HD11 LEU 73 -1.821 3.145 4.015 545 HD12 LEU 73 HD12 LEU 73 -1.207 1.678 3.276 546 HD13 LEU 73 HD13 LEU 73 -2.965 1.999 3.315 547 HD21 LEU 73 HD21 LEU 73 -3.394 1.962 0.823 548 HD22 LEU 73 HD22 LEU 73 -1.731 1.512 0.412 549 HD23 LEU 73 HD23 LEU 73 -2.426 2.999 -0.239 550 H CYS 74 HN CYS 74 -4.155 4.587 4.013 551 HA CYS 74 HA CYS 74 -5.184 1.958 4.113 552 HB2 CYS 74 HB2 CYS 74 -4.121 3.355 5.988 553 HB3 CYS 74 HB3 CYS 74 -5.714 4.075 6.234 554 HG CYS 74 HG CYS 74 -6.978 1.981 6.753 555 H GLY 75 HN GLY 75 -6.926 5.117 3.880 556 HA2 GLY 75 HA1 GLY 75 -9.588 4.256 4.046 557 HA3 GLY 75 HA2 GLY 75 -8.978 5.563 3.018 558 H VAL 76 HN VAL 76 -7.406 4.262 1.127 559 HA VAL 76 HA VAL 76 -9.277 3.100 -0.666 560 HB VAL 76 HB VAL 76 -6.224 2.944 -0.733 561 HG11 VAL 76 HG11 VAL 76 -7.043 1.324 -2.264 562 HG12 VAL 76 HG12 VAL 76 -8.270 2.451 -2.914 563 HG13 VAL 76 HG13 VAL 76 -6.531 2.713 -3.204 564 HG21 VAL 76 HG21 VAL 76 -8.126 4.952 -2.002 565 HG22 VAL 76 HG22 VAL 76 -6.938 5.284 -0.720 566 HG23 VAL 76 HG23 VAL 76 -6.382 4.846 -2.330 567 H MET 77 HN MET 77 -6.805 1.606 1.475 568 HA MET 77 HA MET 77 -7.156 -1.098 0.707 569 HB2 MET 77 HB2 MET 77 -6.699 -0.106 3.562 570 HB3 MET 77 HB3 MET 77 -6.426 -1.725 2.952 571 HG2 MET 77 HG2 MET 77 -4.665 -0.860 1.450 572 HG3 MET 77 HG3 MET 77 -4.922 0.759 2.082 573 HE1 MET 77 HE1 MET 77 -1.484 -0.756 3.389 574 HE2 MET 77 HE2 MET 77 -2.345 -1.560 2.044 575 HE3 MET 77 HE3 MET 77 -2.244 0.214 2.110 576 H LYS 78 HN LYS 78 -8.940 0.823 3.153 577 HA LYS 78 HA LYS 78 -10.501 -1.307 4.131 578 HB2 LYS 78 HB2 LYS 78 -10.131 1.033 5.091 579 HB3 LYS 78 HB3 LYS 78 -11.399 1.600 3.995 580 HG2 LYS 78 HG2 LYS 78 -13.021 0.041 5.039 581 HG3 LYS 78 HG3 LYS 78 -11.719 -0.655 6.030 582 HD2 LYS 78 HD2 LYS 78 -11.331 1.610 7.040 583 HD3 LYS 78 HD3 LYS 78 -12.760 2.215 6.157 584 HE2 LYS 78 HE2 LYS 78 -14.208 0.632 7.322 585 HE3 LYS 78 HE3 LYS 78 -12.804 -0.190 8.028 586 HZ1 LYS 78 HZ1 LYS 78 -12.276 1.856 9.227 587 HZ2 LYS 78 HZ2 LYS 78 -13.745 1.254 9.629 588 HZ3 LYS 78 HZ3 LYS 78 -13.642 2.582 8.635 589 H THR 79 HN THR 79 -11.278 1.017 1.398 590 HA THR 79 HA THR 79 -13.763 -0.185 0.784 591 HB THR 79 HB THR 79 -12.057 0.751 -1.492 592 HG1 THR 79 HG1 THR 79 -11.683 2.700 -0.877 593 HG21 THR 79 HG21 THR 79 -14.726 1.741 -0.408 594 HG22 THR 79 HG22 THR 79 -14.550 0.397 -1.558 595 HG23 THR 79 HG23 THR 79 -14.062 2.018 -2.035 596 H TYR 80 HN TYR 80 -10.435 -0.937 -0.455 597 HA TYR 80 HA TYR 80 -11.297 -2.911 -2.243 598 HB2 TYR 80 HB2 TYR 80 -8.717 -2.246 -0.885 599 HB3 TYR 80 HB3 TYR 80 -8.837 -3.843 -1.600 600 HD1 TYR 80 HD2 TYR 80 -9.622 -4.109 -3.998 601 HD2 TYR 80 HD1 TYR 80 -8.423 -0.339 -2.336 602 HE1 TYR 80 HE2 TYR 80 -9.499 -3.186 -6.255 603 HE2 TYR 80 HE1 TYR 80 -8.202 0.607 -4.617 604 HH TYR 80 HH TYR 80 -9.085 -1.334 -7.535 605 H ARG 81 HN ARG 81 -10.439 -3.393 1.234 606 HA ARG 81 HA ARG 81 -10.920 -6.223 1.073 607 HB2 ARG 81 HB2 ARG 81 -9.553 -4.902 2.818 608 HB3 ARG 81 HB3 ARG 81 -11.083 -4.511 3.601 609 HG2 ARG 81 HG2 ARG 81 -10.631 -7.388 2.919 610 HG3 ARG 81 HG3 ARG 81 -9.496 -6.740 4.088 611 HD2 ARG 81 HD2 ARG 81 -12.519 -6.549 4.448 612 HD3 ARG 81 HD3 ARG 81 -11.562 -7.892 5.044 613 HE ARG 81 HE ARG 81 -11.639 -5.119 6.023 614 HH11 ARG 81 HH11 ARG 81 -10.053 -8.276 6.323 615 HH12 ARG 81 HH12 ARG 81 -9.116 -7.858 7.692 616 HH21 ARG 81 HH21 ARG 81 -10.674 -4.615 7.947 617 HH22 ARG 81 HH22 ARG 81 -9.734 -5.743 8.862 618 H GLN 82 HN GLN 82 -13.158 -3.567 0.938 619 HA GLN 82 HA GLN 82 -15.388 -5.350 1.620 620 HB2 GLN 82 HB2 GLN 82 -14.701 -2.533 2.541 621 HB3 GLN 82 HB3 GLN 82 -16.320 -3.111 2.478 622 HG2 GLN 82 HG2 GLN 82 -15.561 -5.140 3.882 623 HG3 GLN 82 HG3 GLN 82 -14.025 -4.286 4.105 624 HE21 GLN 82 HE21 GLN 82 -17.596 -3.888 4.543 625 HE22 GLN 82 HE22 GLN 82 -17.487 -2.823 5.884 626 H ARG 83 HN ARG 83 -15.216 -5.687 -0.741 627 HA ARG 83 HA ARG 83 -17.010 -3.686 -2.057 628 HB2 ARG 83 HB2 ARG 83 -14.910 -5.418 -3.412 629 HB3 ARG 83 HB3 ARG 83 -16.279 -4.651 -4.233 630 HG2 ARG 83 HG2 ARG 83 -15.415 -2.435 -3.127 631 HG3 ARG 83 HG3 ARG 83 -13.894 -3.327 -2.923 632 HD2 ARG 83 HD2 ARG 83 -13.815 -3.759 -5.357 633 HD3 ARG 83 HD3 ARG 83 -15.420 -3.008 -5.551 634 HE ARG 83 HE ARG 83 -13.354 -1.352 -4.314 635 HH11 ARG 83 HH11 ARG 83 -14.637 -2.298 -7.478 636 HH12 ARG 83 HH12 ARG 83 -14.054 -0.845 -8.219 637 HH21 ARG 83 HH21 ARG 83 -12.999 0.673 -5.285 638 HH22 ARG 83 HH22 ARG 83 -13.482 0.962 -6.939 639 H GLU 84 HN GLU 84 -18.805 -4.662 -1.095 640 HA GLU 84 HA GLU 84 -19.532 -7.181 -2.419 641 HB2 GLU 84 HB2 GLU 84 -20.474 -8.094 -0.526 642 HB3 GLU 84 HB3 GLU 84 -19.021 -7.343 0.088 643 HG2 GLU 84 HG2 GLU 84 -20.580 -5.353 0.710 644 HG3 GLU 84 HG3 GLU 84 -21.903 -6.470 0.435 645 H LYS 85 HN LYS 85 -21.799 -7.300 -2.878 646 HA LYS 85 HA LYS 85 -22.828 -4.914 -4.138 647 HB2 LYS 85 HB2 LYS 85 -23.120 -7.645 -4.467 648 HB3 LYS 85 HB3 LYS 85 -24.642 -7.232 -3.694 649 HG2 LYS 85 HG2 LYS 85 -23.482 -5.994 -6.250 650 HG3 LYS 85 HG3 LYS 85 -24.766 -7.210 -6.143 651 HD2 LYS 85 HD2 LYS 85 -26.073 -5.542 -4.740 652 HD3 LYS 85 HD3 LYS 85 -24.882 -4.315 -5.227 653 HE2 LYS 85 HE2 LYS 85 -25.485 -4.459 -7.506 654 HE3 LYS 85 HE3 LYS 85 -26.327 -5.991 -7.287 655 HZ1 LYS 85 HZ1 LYS 85 -27.979 -4.826 -5.955 656 HZ2 LYS 85 HZ2 LYS 85 -27.922 -4.257 -7.486 657 HZ3 LYS 85 HZ3 LYS 85 -27.243 -3.403 -6.207 Start of MODEL 9 1 H1 GLY 1 HN GLY 1 15.538 -1.711 -7.133 2 HA2 GLY 1 HA1 GLY 1 13.162 0.073 -7.059 3 HA3 GLY 1 HA2 GLY 1 13.465 -1.242 -5.911 4 H SER 2 HN SER 2 13.220 0.441 -4.328 5 HA SER 2 HA SER 2 15.638 2.031 -3.687 6 HB2 SER 2 HB2 SER 2 12.785 2.176 -3.111 7 HB3 SER 2 HB3 SER 2 13.669 1.943 -1.627 8 HG SER 2 HG SER 2 13.427 4.118 -2.106 9 H GLU 3 HN GLU 3 15.868 1.637 -1.017 10 HA GLU 3 HA GLU 3 16.885 -1.106 -0.881 11 HB2 GLU 3 HB2 GLU 3 17.797 -0.554 1.237 12 HB3 GLU 3 HB3 GLU 3 18.228 0.686 0.075 13 HG2 GLU 3 HG2 GLU 3 15.841 1.107 1.914 14 HG3 GLU 3 HG3 GLU 3 17.465 1.276 2.540 15 H ASN 4 HN ASN 4 13.963 0.514 0.268 16 HA ASN 4 HA ASN 4 13.301 -1.090 2.463 17 HB2 ASN 4 HB2 ASN 4 10.994 -0.405 2.160 18 HB3 ASN 4 HB3 ASN 4 12.028 0.968 1.778 19 HD21 ASN 4 HD21 ASN 4 12.033 1.728 -0.411 20 HD22 ASN 4 HD22 ASN 4 11.387 0.731 -1.712 21 H PHE 5 HN PHE 5 13.141 -2.001 -0.912 22 HA PHE 5 HA PHE 5 11.195 -3.840 -1.100 23 HB2 PHE 5 HB2 PHE 5 12.796 -3.154 -2.844 24 HB3 PHE 5 HB3 PHE 5 14.056 -4.113 -2.120 25 HD1 PHE 5 HD1 PHE 5 10.830 -4.267 -4.035 26 HD2 PHE 5 HD2 PHE 5 14.112 -6.548 -2.351 27 HE1 PHE 5 HE1 PHE 5 10.413 -6.107 -5.582 28 HE2 PHE 5 HE2 PHE 5 13.564 -8.420 -3.872 29 HZ PHE 5 HZ PHE 5 11.628 -8.172 -5.508 30 H GLN 6 HN GLN 6 14.413 -4.583 0.273 31 HA GLN 6 HA GLN 6 13.792 -7.302 0.967 32 HB2 GLN 6 HB2 GLN 6 16.093 -6.537 0.733 33 HB3 GLN 6 HB3 GLN 6 15.902 -5.399 2.072 34 HG2 GLN 6 HG2 GLN 6 17.145 -7.389 2.764 35 HG3 GLN 6 HG3 GLN 6 15.622 -7.307 3.640 36 HE21 GLN 6 HE21 GLN 6 13.892 -8.873 3.042 37 HE22 GLN 6 HE22 GLN 6 14.370 -10.352 2.203 38 H THR 7 HN THR 7 13.445 -4.207 2.787 39 HA THR 7 HA THR 7 12.799 -5.338 5.289 40 HB THR 7 HB THR 7 11.719 -2.709 4.172 41 HG1 THR 7 HG1 THR 7 13.780 -1.858 5.036 42 HG21 THR 7 HG21 THR 7 12.655 -3.586 6.922 43 HG22 THR 7 HG22 THR 7 10.985 -3.261 6.411 44 HG23 THR 7 HG23 THR 7 12.150 -1.935 6.502 45 H LEU 8 HN LEU 8 10.860 -4.567 2.404 46 HA LEU 8 HA LEU 8 8.292 -5.145 3.598 47 HB2 LEU 8 HB2 LEU 8 9.189 -5.186 0.692 48 HB3 LEU 8 HB3 LEU 8 7.537 -5.320 1.243 49 HG LEU 8 HG LEU 8 9.317 -2.875 1.700 50 HD11 LEU 8 HD11 LEU 8 7.905 -1.880 -0.093 51 HD12 LEU 8 HD12 LEU 8 7.109 -3.474 -0.285 52 HD13 LEU 8 HD13 LEU 8 8.828 -3.255 -0.666 53 HD21 LEU 8 HD21 LEU 8 6.331 -3.294 2.194 54 HD22 LEU 8 HD22 LEU 8 7.204 -1.750 2.315 55 HD23 LEU 8 HD23 LEU 8 7.582 -3.051 3.432 56 H LEU 9 HN LEU 9 10.545 -7.063 1.566 57 HA LEU 9 HA LEU 9 9.006 -9.432 1.326 58 HB2 LEU 9 HB2 LEU 9 11.951 -8.747 1.349 59 HB3 LEU 9 HB3 LEU 9 11.519 -10.439 1.452 60 HG LEU 9 HG LEU 9 10.412 -8.668 -0.744 61 HD11 LEU 9 HD11 LEU 9 12.259 -9.657 -2.175 62 HD12 LEU 9 HD12 LEU 9 13.023 -10.239 -0.685 63 HD13 LEU 9 HD13 LEU 9 12.810 -8.501 -0.942 64 HD21 LEU 9 HD21 LEU 9 10.236 -10.910 -1.911 65 HD22 LEU 9 HD22 LEU 9 9.231 -10.799 -0.458 66 HD23 LEU 9 HD23 LEU 9 10.762 -11.689 -0.411 67 H ASP 10 HN ASP 10 10.681 -8.121 4.062 68 HA ASP 10 HA ASP 10 10.743 -10.650 5.565 69 HB2 ASP 10 HB2 ASP 10 12.537 -8.947 5.769 70 HB3 ASP 10 HB3 ASP 10 11.372 -7.784 6.317 71 H ALA 11 HN ALA 11 8.415 -8.218 5.017 72 HA ALA 11 HA ALA 11 7.457 -8.012 7.761 73 HB1 ALA 11 HB1 ALA 11 6.243 -6.125 6.886 74 HB2 ALA 11 HB2 ALA 11 7.877 -6.084 6.217 75 HB3 ALA 11 HB3 ALA 11 6.509 -6.645 5.214 76 H GLY 12 HN GLY 12 6.888 -10.560 6.146 77 HA2 GLY 12 HA1 GLY 12 5.139 -12.023 5.916 78 HA3 GLY 12 HA2 GLY 12 4.103 -10.915 6.819 79 H LEU 13 HN LEU 13 5.795 -9.872 3.896 80 HA LEU 13 HA LEU 13 3.225 -9.798 2.398 81 HB2 LEU 13 HB2 LEU 13 5.704 -8.073 2.059 82 HB3 LEU 13 HB3 LEU 13 4.173 -7.924 1.197 83 HG LEU 13 HG LEU 13 4.471 -7.479 4.201 84 HD11 LEU 13 HD11 LEU 13 5.755 -5.812 2.764 85 HD12 LEU 13 HD12 LEU 13 4.515 -5.146 3.821 86 HD13 LEU 13 HD13 LEU 13 4.157 -5.299 2.113 87 HD21 LEU 13 HD21 LEU 13 2.269 -6.401 3.954 88 HD22 LEU 13 HD22 LEU 13 2.189 -8.098 3.483 89 HD23 LEU 13 HD23 LEU 13 2.236 -6.845 2.220 90 HA PRO 14 HA PRO 14 5.429 -12.464 -0.434 91 HB2 PRO 14 HB2 PRO 14 3.951 -12.160 -2.717 92 HB3 PRO 14 HB3 PRO 14 3.309 -13.017 -1.270 93 HG2 PRO 14 HG2 PRO 14 2.900 -10.166 -2.130 94 HG3 PRO 14 HG3 PRO 14 1.646 -11.325 -1.589 95 HD2 PRO 14 HD2 PRO 14 2.734 -9.438 0.061 96 HD3 PRO 14 HD3 PRO 14 2.258 -11.044 0.665 97 H GLN 15 HN GLN 15 6.542 -12.385 -2.597 98 HA GLN 15 HA GLN 15 8.198 -10.077 -2.880 99 HB2 GLN 15 HB2 GLN 15 8.980 -12.312 -3.544 100 HB3 GLN 15 HB3 GLN 15 7.610 -12.486 -4.647 101 HG2 GLN 15 HG2 GLN 15 8.546 -10.629 -6.066 102 HG3 GLN 15 HG3 GLN 15 9.918 -10.533 -5.000 103 HE21 GLN 15 HE21 GLN 15 11.418 -11.126 -6.879 104 HE22 GLN 15 HE22 GLN 15 11.325 -12.726 -7.541 105 H LYS 16 HN LYS 16 5.358 -11.367 -4.486 106 HA LYS 16 HA LYS 16 5.394 -9.792 -6.723 107 HB2 LYS 16 HB2 LYS 16 3.147 -11.152 -5.177 108 HB3 LYS 16 HB3 LYS 16 2.703 -10.161 -6.550 109 HG2 LYS 16 HG2 LYS 16 4.723 -12.425 -6.805 110 HG3 LYS 16 HG3 LYS 16 2.974 -12.650 -6.961 111 HD2 LYS 16 HD2 LYS 16 2.944 -10.854 -8.735 112 HD3 LYS 16 HD3 LYS 16 4.712 -10.853 -8.718 113 HE2 LYS 16 HE2 LYS 16 2.911 -13.253 -9.291 114 HE3 LYS 16 HE3 LYS 16 3.680 -12.239 -10.521 115 HZ1 LYS 16 HZ1 LYS 16 5.015 -14.051 -8.617 116 HZ2 LYS 16 HZ2 LYS 16 5.839 -12.906 -9.469 117 HZ3 LYS 16 HZ3 LYS 16 5.027 -14.107 -10.250 118 H VAL 17 HN VAL 17 3.873 -9.047 -3.611 119 HA VAL 17 HA VAL 17 2.721 -6.533 -4.480 120 HB VAL 17 HB VAL 17 3.206 -7.787 -1.741 121 HG11 VAL 17 HG11 VAL 17 1.600 -6.187 -0.835 122 HG12 VAL 17 HG12 VAL 17 2.956 -5.298 -1.536 123 HG13 VAL 17 HG13 VAL 17 1.415 -5.409 -2.418 124 HG21 VAL 17 HG21 VAL 17 0.838 -8.361 -1.828 125 HG22 VAL 17 HG22 VAL 17 0.629 -7.456 -3.340 126 HG23 VAL 17 HG23 VAL 17 1.539 -8.953 -3.334 127 H ALA 18 HN ALA 18 5.591 -7.533 -2.522 128 HA ALA 18 HA ALA 18 6.604 -5.025 -1.986 129 HB1 ALA 18 HB1 ALA 18 7.983 -7.665 -2.431 130 HB2 ALA 18 HB2 ALA 18 8.876 -6.212 -1.907 131 HB3 ALA 18 HB3 ALA 18 7.585 -6.886 -0.903 132 H GLU 19 HN GLU 19 7.297 -6.854 -4.986 133 HA GLU 19 HA GLU 19 8.972 -5.045 -6.322 134 HB2 GLU 19 HB2 GLU 19 6.787 -6.970 -7.167 135 HB3 GLU 19 HB3 GLU 19 7.593 -6.018 -8.380 136 HG2 GLU 19 HG2 GLU 19 9.181 -7.688 -6.384 137 HG3 GLU 19 HG3 GLU 19 8.486 -8.432 -7.777 138 H LYS 20 HN LYS 20 5.479 -4.724 -5.979 139 HA LYS 20 HA LYS 20 5.618 -2.197 -7.589 140 HB2 LYS 20 HB2 LYS 20 3.338 -3.928 -6.588 141 HB3 LYS 20 HB3 LYS 20 3.065 -2.240 -7.017 142 HG2 LYS 20 HG2 LYS 20 2.535 -3.554 -8.911 143 HG3 LYS 20 HG3 LYS 20 3.945 -2.589 -9.270 144 HD2 LYS 20 HD2 LYS 20 4.585 -5.334 -8.253 145 HD3 LYS 20 HD3 LYS 20 3.669 -5.334 -9.736 146 HE2 LYS 20 HE2 LYS 20 6.188 -3.676 -9.392 147 HE3 LYS 20 HE3 LYS 20 6.196 -5.326 -10.023 148 HZ1 LYS 20 HZ1 LYS 20 6.122 -3.523 -11.702 149 HZ2 LYS 20 HZ2 LYS 20 4.574 -3.191 -11.268 150 HZ3 LYS 20 HZ3 LYS 20 4.945 -4.660 -11.884 151 H LEU 21 HN LEU 21 5.438 -3.255 -4.244 152 HA LEU 21 HA LEU 21 4.385 -0.756 -3.266 153 HB2 LEU 21 HB2 LEU 21 4.056 -2.950 -2.185 154 HB3 LEU 21 HB3 LEU 21 5.758 -2.986 -1.788 155 HG LEU 21 HG LEU 21 5.594 -1.231 -0.236 156 HD11 LEU 21 HD11 LEU 21 2.808 -0.622 -1.269 157 HD12 LEU 21 HD12 LEU 21 4.213 0.445 -1.322 158 HD13 LEU 21 HD13 LEU 21 3.474 0.049 0.220 159 HD21 LEU 21 HD21 LEU 21 4.674 -3.419 0.486 160 HD22 LEU 21 HD22 LEU 21 3.043 -2.856 0.070 161 HD23 LEU 21 HD23 LEU 21 3.959 -2.061 1.365 162 H ASP 22 HN ASP 22 7.653 -2.189 -3.601 163 HA ASP 22 HA ASP 22 9.144 -0.249 -2.207 164 HB2 ASP 22 HB2 ASP 22 10.230 -2.214 -2.987 165 HB3 ASP 22 HB3 ASP 22 9.725 -1.930 -4.666 166 H GLU 23 HN GLU 23 7.951 -0.213 -5.463 167 HA GLU 23 HA GLU 23 9.023 2.101 -6.601 168 HB2 GLU 23 HB2 GLU 23 6.928 0.162 -7.048 169 HB3 GLU 23 HB3 GLU 23 6.185 1.676 -7.289 170 HG2 GLU 23 HG2 GLU 23 8.859 1.193 -8.603 171 HG3 GLU 23 HG3 GLU 23 7.428 0.369 -9.262 172 H ILE 24 HN ILE 24 6.477 1.752 -4.201 173 HA ILE 24 HA ILE 24 5.221 4.223 -4.726 174 HB ILE 24 HB ILE 24 5.143 2.565 -2.191 175 HG12 ILE 24 HG12 ILE 24 4.641 1.120 -4.034 176 HG13 ILE 24 HG13 ILE 24 3.186 1.471 -3.176 177 HG21 ILE 24 HG21 ILE 24 2.937 4.377 -3.228 178 HG22 ILE 24 HG22 ILE 24 2.994 3.470 -1.705 179 HG23 ILE 24 HG23 ILE 24 4.113 4.808 -1.982 180 HD11 ILE 24 HD11 ILE 24 2.706 1.388 -5.500 181 HD12 ILE 24 HD12 ILE 24 2.660 3.116 -5.080 182 HD13 ILE 24 HD13 ILE 24 4.077 2.424 -5.908 183 H TYR 25 HN TYR 25 7.898 3.058 -2.629 184 HA TYR 25 HA TYR 25 8.084 5.522 -1.095 185 HB2 TYR 25 HB2 TYR 25 9.836 3.072 -1.165 186 HB3 TYR 25 HB3 TYR 25 9.865 4.344 0.053 187 HD1 TYR 25 HD2 TYR 25 7.292 4.877 0.957 188 HD2 TYR 25 HD1 TYR 25 8.736 1.083 -0.459 189 HE1 TYR 25 HE2 TYR 25 5.457 3.735 2.172 190 HE2 TYR 25 HE1 TYR 25 6.996 -0.064 0.791 191 HH TYR 25 HH TYR 25 5.264 0.189 2.393 192 H VAL 26 HN VAL 26 9.300 4.478 -4.148 193 HA VAL 26 HA VAL 26 11.683 6.126 -4.139 194 HB VAL 26 HB VAL 26 10.014 5.058 -6.444 195 HG11 VAL 26 HG11 VAL 26 11.509 6.874 -7.198 196 HG12 VAL 26 HG12 VAL 26 12.886 6.086 -6.401 197 HG13 VAL 26 HG13 VAL 26 12.083 5.313 -7.785 198 HG21 VAL 26 HG21 VAL 26 12.510 3.909 -5.107 199 HG22 VAL 26 HG22 VAL 26 10.888 3.205 -5.027 200 HG23 VAL 26 HG23 VAL 26 11.739 3.264 -6.565 201 H ALA 27 HN ALA 27 8.200 6.726 -4.865 202 HA ALA 27 HA ALA 27 9.022 8.886 -6.678 203 HB1 ALA 27 HB1 ALA 27 6.955 8.302 -7.843 204 HB2 ALA 27 HB2 ALA 27 7.934 6.850 -7.566 205 HB3 ALA 27 HB3 ALA 27 6.508 7.181 -6.542 206 H GLY 28 HN GLY 28 8.842 9.578 -3.968 207 HA2 GLY 28 HA1 GLY 28 8.098 11.232 -2.639 208 HA3 GLY 28 HA2 GLY 28 7.517 12.005 -4.128 209 H LEU 29 HN LEU 29 6.142 8.982 -3.122 210 HA LEU 29 HA LEU 29 3.494 10.290 -2.746 211 HB2 LEU 29 HB2 LEU 29 4.264 7.333 -2.850 212 HB3 LEU 29 HB3 LEU 29 2.640 7.971 -2.690 213 HG LEU 29 HG LEU 29 4.516 8.085 -5.072 214 HD11 LEU 29 HD11 LEU 29 2.527 7.103 -6.196 215 HD12 LEU 29 HD12 LEU 29 1.668 7.104 -4.659 216 HD13 LEU 29 HD13 LEU 29 3.130 6.109 -4.840 217 HD21 LEU 29 HD21 LEU 29 2.034 9.817 -4.715 218 HD22 LEU 29 HD22 LEU 29 2.760 9.442 -6.269 219 HD23 LEU 29 HD23 LEU 29 3.687 10.347 -5.076 220 H VAL 30 HN VAL 30 5.286 7.702 -1.062 221 HA VAL 30 HA VAL 30 4.780 9.001 1.543 222 HB VAL 30 HB VAL 30 4.159 6.741 2.493 223 HG11 VAL 30 HG11 VAL 30 2.562 8.580 2.009 224 HG12 VAL 30 HG12 VAL 30 2.161 7.818 0.468 225 HG13 VAL 30 HG13 VAL 30 1.831 6.959 1.989 226 HG21 VAL 30 HG21 VAL 30 3.430 6.018 -0.358 227 HG22 VAL 30 HG22 VAL 30 4.875 5.378 0.450 228 HG23 VAL 30 HG23 VAL 30 3.258 5.011 1.085 229 H ALA 31 HN ALA 31 6.094 7.967 3.274 230 HA ALA 31 HA ALA 31 8.499 6.450 2.377 231 HB1 ALA 31 HB1 ALA 31 9.410 7.013 4.606 232 HB2 ALA 31 HB2 ALA 31 9.057 8.486 3.673 233 HB3 ALA 31 HB3 ALA 31 7.955 7.960 4.968 234 H HIS 32 HN HIS 32 8.946 4.522 3.780 235 HA HIS 32 HA HIS 32 6.657 2.925 4.198 236 HB2 HIS 32 HB2 HIS 32 8.037 1.280 4.930 237 HB3 HIS 32 HB3 HIS 32 9.213 2.263 4.087 238 HD1 HIS 32 HD1 HIS 32 8.231 1.090 7.655 239 HD2 HIS 32 HD2 HIS 32 11.026 3.605 5.678 240 HE1 HIS 32 HE1 HIS 32 9.920 1.769 9.375 241 H SER 33 HN SER 33 8.310 5.119 6.392 242 HA SER 33 HA SER 33 6.922 4.237 8.769 243 HB2 SER 33 HB2 SER 33 8.181 6.278 9.686 244 HB3 SER 33 HB3 SER 33 9.151 4.967 9.002 245 HG SER 33 HG SER 33 8.414 7.390 7.669 246 H ASP 34 HN ASP 34 5.785 6.093 6.174 247 HA ASP 34 HA ASP 34 4.701 8.323 7.711 248 HB2 ASP 34 HB2 ASP 34 5.321 7.825 4.989 249 HB3 ASP 34 HB3 ASP 34 3.587 8.056 5.022 250 H LEU 35 HN LEU 35 3.630 5.165 6.919 251 HA LEU 35 HA LEU 35 0.777 5.748 6.999 252 HB2 LEU 35 HB2 LEU 35 2.337 3.134 6.730 253 HB3 LEU 35 HB3 LEU 35 0.613 3.351 6.533 254 HG LEU 35 HG LEU 35 1.431 3.105 4.419 255 HD11 LEU 35 HD11 LEU 35 0.769 5.109 3.246 256 HD12 LEU 35 HD12 LEU 35 1.081 6.117 4.678 257 HD13 LEU 35 HD13 LEU 35 -0.246 4.936 4.686 258 HD21 LEU 35 HD21 LEU 35 3.833 3.622 4.852 259 HD22 LEU 35 HD22 LEU 35 3.447 5.347 4.650 260 HD23 LEU 35 HD23 LEU 35 3.199 4.211 3.318 261 H ASP 36 HN ASP 36 -0.311 3.630 8.293 262 HA ASP 36 HA ASP 36 0.469 4.020 11.150 263 HB2 ASP 36 HB2 ASP 36 -2.208 3.741 9.746 264 HB3 ASP 36 HB3 ASP 36 -2.043 3.328 11.431 265 H GLU 37 HN GLU 37 -0.384 2.194 12.499 266 HA GLU 37 HA GLU 37 0.376 -0.478 11.872 267 HB2 GLU 37 HB2 GLU 37 -0.155 0.429 14.150 268 HB3 GLU 37 HB3 GLU 37 -1.838 0.605 13.662 269 HG2 GLU 37 HG2 GLU 37 -1.816 -1.384 14.904 270 HG3 GLU 37 HG3 GLU 37 -1.856 -1.951 13.241 271 H ARG 38 HN ARG 38 -2.735 1.230 11.460 272 HA ARG 38 HA ARG 38 -4.177 -1.010 10.506 273 HB2 ARG 38 HB2 ARG 38 -4.686 1.969 10.044 274 HB3 ARG 38 HB3 ARG 38 -5.829 0.665 9.704 275 HG2 ARG 38 HG2 ARG 38 -5.518 -0.039 12.181 276 HG3 ARG 38 HG3 ARG 38 -4.764 1.547 12.414 277 HD2 ARG 38 HD2 ARG 38 -6.852 2.619 11.532 278 HD3 ARG 38 HD3 ARG 38 -7.573 1.026 11.360 279 HE ARG 38 HE ARG 38 -7.693 0.719 13.641 280 HH11 ARG 38 HH11 ARG 38 -6.362 3.952 12.902 281 HH12 ARG 38 HH12 ARG 38 -6.552 4.543 14.510 282 HH21 ARG 38 HH21 ARG 38 -8.223 1.642 15.704 283 HH22 ARG 38 HH22 ARG 38 -7.750 3.258 16.095 284 H ALA 39 HN ALA 39 -1.819 0.902 8.810 285 HA ALA 39 HA ALA 39 -2.763 0.197 6.124 286 HB1 ALA 39 HB1 ALA 39 -0.060 1.226 7.066 287 HB2 ALA 39 HB2 ALA 39 -0.591 1.046 5.401 288 HB3 ALA 39 HB3 ALA 39 -1.411 2.226 6.446 289 H ILE 40 HN ILE 40 -0.177 -0.742 8.384 290 HA ILE 40 HA ILE 40 1.082 -2.709 6.866 291 HB ILE 40 HB ILE 40 0.682 -2.617 9.905 292 HG12 ILE 40 HG12 ILE 40 1.616 -0.525 9.442 293 HG13 ILE 40 HG13 ILE 40 2.954 -1.523 9.941 294 HG21 ILE 40 HG21 ILE 40 2.790 -3.811 10.060 295 HG22 ILE 40 HG22 ILE 40 1.577 -4.772 9.197 296 HG23 ILE 40 HG23 ILE 40 2.853 -3.941 8.295 297 HD11 ILE 40 HD11 ILE 40 3.609 -1.791 7.528 298 HD12 ILE 40 HD12 ILE 40 2.306 -0.657 7.097 299 HD13 ILE 40 HD13 ILE 40 3.643 -0.117 8.115 300 H GLU 41 HN GLU 41 -1.475 -3.194 9.356 301 HA GLU 41 HA GLU 41 -1.684 -5.972 8.939 302 HB2 GLU 41 HB2 GLU 41 -2.585 -4.735 10.896 303 HB3 GLU 41 HB3 GLU 41 -3.745 -3.898 9.869 304 HG2 GLU 41 HG2 GLU 41 -4.916 -5.594 10.971 305 HG3 GLU 41 HG3 GLU 41 -4.806 -6.133 9.308 306 H ALA 42 HN ALA 42 -3.507 -3.292 7.361 307 HA ALA 42 HA ALA 42 -5.438 -4.990 6.114 308 HB1 ALA 42 HB1 ALA 42 -5.886 -3.097 4.640 309 HB2 ALA 42 HB2 ALA 42 -5.760 -2.574 6.338 310 HB3 ALA 42 HB3 ALA 42 -4.393 -2.311 5.210 311 H LEU 43 HN LEU 43 -2.208 -3.790 5.035 312 HA LEU 43 HA LEU 43 -2.153 -4.865 2.484 313 HB2 LEU 43 HB2 LEU 43 -0.239 -3.963 4.535 314 HB3 LEU 43 HB3 LEU 43 0.429 -5.278 3.603 315 HG LEU 43 HG LEU 43 -0.845 -2.822 2.417 316 HD11 LEU 43 HD11 LEU 43 1.448 -1.999 2.006 317 HD12 LEU 43 HD12 LEU 43 2.121 -3.433 2.818 318 HD13 LEU 43 HD13 LEU 43 1.174 -2.242 3.726 319 HD21 LEU 43 HD21 LEU 43 0.889 -4.998 1.155 320 HD22 LEU 43 HD22 LEU 43 0.407 -3.486 0.345 321 HD23 LEU 43 HD23 LEU 43 -0.821 -4.667 0.804 322 H LYS 44 HN LYS 44 -1.636 -6.576 5.593 323 HA LYS 44 HA LYS 44 -0.669 -9.008 4.474 324 HB2 LYS 44 HB2 LYS 44 -2.356 -8.742 6.980 325 HB3 LYS 44 HB3 LYS 44 -1.290 -10.056 6.567 326 HG2 LYS 44 HG2 LYS 44 -0.319 -7.218 7.130 327 HG3 LYS 44 HG3 LYS 44 -0.560 -8.443 8.348 328 HD2 LYS 44 HD2 LYS 44 1.094 -9.669 6.405 329 HD3 LYS 44 HD3 LYS 44 1.743 -8.052 6.567 330 HE2 LYS 44 HE2 LYS 44 1.000 -9.620 9.045 331 HE3 LYS 44 HE3 LYS 44 2.494 -10.060 8.185 332 HZ1 LYS 44 HZ1 LYS 44 2.909 -8.512 9.943 333 HZ2 LYS 44 HZ2 LYS 44 1.858 -7.427 9.340 334 HZ3 LYS 44 HZ3 LYS 44 3.268 -7.808 8.504 335 H GLU 45 HN GLU 45 -4.248 -8.164 5.456 336 HA GLU 45 HA GLU 45 -5.021 -10.612 4.902 337 HB2 GLU 45 HB2 GLU 45 -7.012 -9.727 5.612 338 HB3 GLU 45 HB3 GLU 45 -5.723 -9.186 6.657 339 HG2 GLU 45 HG2 GLU 45 -5.759 -7.066 5.779 340 HG3 GLU 45 HG3 GLU 45 -6.757 -7.546 4.381 341 H PHE 46 HN PHE 46 -4.257 -8.570 2.396 342 HA PHE 46 HA PHE 46 -6.464 -9.309 0.616 343 HB2 PHE 46 HB2 PHE 46 -3.857 -7.829 0.274 344 HB3 PHE 46 HB3 PHE 46 -4.964 -8.209 -1.052 345 HD1 PHE 46 HD2 PHE 46 -7.509 -7.471 -0.660 346 HD2 PHE 46 HD1 PHE 46 -4.077 -5.740 1.314 347 HE1 PHE 46 HE2 PHE 46 -8.820 -5.457 -0.138 348 HE2 PHE 46 HE1 PHE 46 -5.397 -3.733 1.850 349 HZ PHE 46 HZ PHE 46 -7.772 -3.560 1.122 350 H ASN 47 HN ASN 47 -5.942 -10.428 -1.254 351 HA ASN 47 HA ASN 47 -3.960 -12.620 -1.115 352 HB2 ASN 47 HB2 ASN 47 -4.849 -13.381 -3.236 353 HB3 ASN 47 HB3 ASN 47 -6.180 -13.119 -2.155 354 HD21 ASN 47 HD21 ASN 47 -5.929 -13.059 -5.253 355 HD22 ASN 47 HD22 ASN 47 -6.727 -11.544 -5.629 356 H GLU 48 HN GLU 48 -2.812 -12.831 -3.382 357 HA GLU 48 HA GLU 48 -0.905 -10.998 -3.877 358 HB2 GLU 48 HB2 GLU 48 -1.251 -13.405 -4.661 359 HB3 GLU 48 HB3 GLU 48 -2.370 -12.792 -5.887 360 HG2 GLU 48 HG2 GLU 48 -0.408 -11.223 -6.535 361 HG3 GLU 48 HG3 GLU 48 0.557 -12.291 -5.510 362 H ASP 49 HN ASP 49 -3.769 -11.375 -6.054 363 HA ASP 49 HA ASP 49 -3.004 -9.002 -7.416 364 HB2 ASP 49 HB2 ASP 49 -4.076 -11.008 -8.420 365 HB3 ASP 49 HB3 ASP 49 -5.611 -10.498 -7.688 366 H GLY 50 HN GLY 50 -5.400 -9.560 -4.816 367 HA2 GLY 50 HA1 GLY 50 -6.804 -7.080 -5.151 368 HA3 GLY 50 HA2 GLY 50 -6.732 -8.082 -3.686 369 H ALA 51 HN ALA 51 -3.908 -8.106 -3.235 370 HA ALA 51 HA ALA 51 -3.412 -5.539 -2.104 371 HB1 ALA 51 HB1 ALA 51 -1.517 -7.802 -2.819 372 HB2 ALA 51 HB2 ALA 51 -1.077 -6.381 -1.833 373 HB3 ALA 51 HB3 ALA 51 -2.304 -7.528 -1.267 374 H LEU 52 HN LEU 52 -2.190 -7.025 -5.200 375 HA LEU 52 HA LEU 52 -0.668 -4.759 -6.021 376 HB2 LEU 52 HB2 LEU 52 -2.022 -7.042 -7.498 377 HB3 LEU 52 HB3 LEU 52 -1.464 -5.684 -8.426 378 HG LEU 52 HG LEU 52 0.150 -7.427 -8.537 379 HD11 LEU 52 HD11 LEU 52 1.271 -5.179 -6.829 380 HD12 LEU 52 HD12 LEU 52 0.966 -5.115 -8.576 381 HD13 LEU 52 HD13 LEU 52 2.174 -6.239 -7.910 382 HD21 LEU 52 HD21 LEU 52 1.543 -8.093 -6.585 383 HD22 LEU 52 HD22 LEU 52 -0.118 -8.672 -6.529 384 HD23 LEU 52 HD23 LEU 52 0.373 -7.286 -5.523 385 H ALA 53 HN ALA 53 -4.133 -5.442 -6.490 386 HA ALA 53 HA ALA 53 -4.788 -3.263 -8.104 387 HB1 ALA 53 HB1 ALA 53 -6.297 -5.153 -7.635 388 HB2 ALA 53 HB2 ALA 53 -6.458 -4.628 -5.945 389 HB3 ALA 53 HB3 ALA 53 -7.083 -3.619 -7.228 390 H VAL 54 HN VAL 54 -4.809 -3.402 -4.493 391 HA VAL 54 HA VAL 54 -5.567 -0.724 -3.984 392 HB VAL 54 HB VAL 54 -3.689 -2.588 -2.469 393 HG11 VAL 54 HG11 VAL 54 -3.166 -0.305 -1.743 394 HG12 VAL 54 HG12 VAL 54 -4.889 0.020 -1.462 395 HG13 VAL 54 HG13 VAL 54 -4.016 -1.208 -0.499 396 HG21 VAL 54 HG21 VAL 54 -5.503 -3.063 -1.021 397 HG22 VAL 54 HG22 VAL 54 -6.517 -1.789 -1.718 398 HG23 VAL 54 HG23 VAL 54 -6.150 -3.256 -2.651 399 H LEU 55 HN LEU 55 -2.425 -2.062 -4.943 400 HA LEU 55 HA LEU 55 -0.992 0.295 -4.083 401 HB2 LEU 55 HB2 LEU 55 -0.110 -2.055 -5.827 402 HB3 LEU 55 HB3 LEU 55 0.949 -0.746 -5.350 403 HG LEU 55 HG LEU 55 -0.343 -2.805 -3.551 404 HD11 LEU 55 HD11 LEU 55 1.662 -3.514 -4.732 405 HD12 LEU 55 HD12 LEU 55 2.002 -3.313 -3.009 406 HD13 LEU 55 HD13 LEU 55 2.530 -2.077 -4.158 407 HD21 LEU 55 HD21 LEU 55 0.826 -1.702 -1.639 408 HD22 LEU 55 HD22 LEU 55 -0.489 -0.730 -2.262 409 HD23 LEU 55 HD23 LEU 55 1.172 -0.313 -2.701 410 H GLN 56 HN GLN 56 -2.022 -1.028 -7.168 411 HA GLN 56 HA GLN 56 -1.073 0.966 -8.941 412 HB2 GLN 56 HB2 GLN 56 -1.959 -1.227 -9.595 413 HB3 GLN 56 HB3 GLN 56 -3.539 -0.820 -8.940 414 HG2 GLN 56 HG2 GLN 56 -3.851 0.896 -10.689 415 HG3 GLN 56 HG3 GLN 56 -2.223 0.564 -11.313 416 HE21 GLN 56 HE21 GLN 56 -5.231 -1.197 -10.447 417 HE22 GLN 56 HE22 GLN 56 -5.076 -2.451 -11.695 418 H GLN 57 HN GLN 57 -4.269 0.640 -7.262 419 HA GLN 57 HA GLN 57 -5.206 3.046 -8.459 420 HB2 GLN 57 HB2 GLN 57 -6.408 0.956 -7.334 421 HB3 GLN 57 HB3 GLN 57 -6.499 2.048 -5.950 422 HG2 GLN 57 HG2 GLN 57 -7.603 3.760 -7.482 423 HG3 GLN 57 HG3 GLN 57 -7.485 2.590 -8.785 424 HE21 GLN 57 HE21 GLN 57 -8.761 2.908 -5.445 425 HE22 GLN 57 HE22 GLN 57 -10.085 1.733 -5.619 426 H PHE 58 HN PHE 58 -3.111 2.718 -5.914 427 HA PHE 58 HA PHE 58 -3.731 5.287 -4.578 428 HB2 PHE 58 HB2 PHE 58 -3.170 3.324 -3.240 429 HB3 PHE 58 HB3 PHE 58 -1.657 3.134 -4.094 430 HD1 PHE 58 HD1 PHE 58 -3.545 5.392 -1.808 431 HD2 PHE 58 HD2 PHE 58 0.318 4.414 -3.451 432 HE1 PHE 58 HE1 PHE 58 -2.415 6.699 -0.012 433 HE2 PHE 58 HE2 PHE 58 1.418 5.585 -1.570 434 HZ PHE 58 HZ PHE 58 0.054 6.662 0.180 435 H LYS 59 HN LYS 59 -1.178 3.840 -6.727 436 HA LYS 59 HA LYS 59 0.357 6.313 -6.976 437 HB2 LYS 59 HB2 LYS 59 0.113 3.723 -8.520 438 HB3 LYS 59 HB3 LYS 59 0.804 5.115 -9.342 439 HG2 LYS 59 HG2 LYS 59 1.889 4.614 -6.609 440 HG3 LYS 59 HG3 LYS 59 2.216 3.343 -7.781 441 HD2 LYS 59 HD2 LYS 59 3.341 4.837 -9.279 442 HD3 LYS 59 HD3 LYS 59 2.845 6.272 -8.374 443 HE2 LYS 59 HE2 LYS 59 4.399 5.937 -6.670 444 HE3 LYS 59 HE3 LYS 59 4.293 4.181 -6.814 445 HZ1 LYS 59 HZ1 LYS 59 6.434 4.895 -7.552 446 HZ2 LYS 59 HZ2 LYS 59 5.796 5.870 -8.726 447 HZ3 LYS 59 HZ3 LYS 59 5.627 4.262 -8.802 448 H ASP 60 HN ASP 60 -2.490 4.902 -8.544 449 HA ASP 60 HA ASP 60 -2.939 7.092 -10.350 450 HB2 ASP 60 HB2 ASP 60 -4.837 4.922 -9.375 451 HB3 ASP 60 HB3 ASP 60 -5.059 5.944 -10.781 452 H SER 61 HN SER 61 -2.530 8.326 -7.897 453 HA SER 61 HA SER 61 -5.024 9.755 -7.502 454 HB2 SER 61 HB2 SER 61 -3.788 8.215 -5.180 455 HB3 SER 61 HB3 SER 61 -4.958 9.520 -4.991 456 HG SER 61 HG SER 61 -5.580 7.469 -6.773 457 H ASP 62 HN ASP 62 -4.667 11.636 -5.882 458 HA ASP 62 HA ASP 62 -1.991 12.795 -6.205 459 HB2 ASP 62 HB2 ASP 62 -3.854 14.134 -7.174 460 HB3 ASP 62 HB3 ASP 62 -4.592 14.230 -5.565 461 H LEU 63 HN LEU 63 -0.915 12.560 -4.576 462 HA LEU 63 HA LEU 63 -2.002 12.468 -1.795 463 HB2 LEU 63 HB2 LEU 63 0.590 11.285 -2.844 464 HB3 LEU 63 HB3 LEU 63 -0.076 11.073 -1.231 465 HG LEU 63 HG LEU 63 -1.313 10.028 -3.833 466 HD11 LEU 63 HD11 LEU 63 0.704 8.869 -3.238 467 HD12 LEU 63 HD12 LEU 63 -0.685 7.830 -2.940 468 HD13 LEU 63 HD13 LEU 63 0.136 8.636 -1.565 469 HD21 LEU 63 HD21 LEU 63 -3.029 10.508 -1.996 470 HD22 LEU 63 HD22 LEU 63 -2.168 9.268 -1.027 471 HD23 LEU 63 HD23 LEU 63 -2.916 8.850 -2.563 472 H SER 64 HN SER 64 -0.933 14.710 -3.774 473 HA SER 64 HA SER 64 1.463 15.736 -2.538 474 HB2 SER 64 HB2 SER 64 -0.450 17.089 -4.486 475 HB3 SER 64 HB3 SER 64 1.252 17.468 -4.225 476 HG SER 64 HG SER 64 0.662 16.195 -6.122 477 H HIS 65 HN HIS 65 -1.941 16.867 -2.900 478 HA HIS 65 HA HIS 65 -1.489 18.849 -0.797 479 HB2 HIS 65 HB2 HIS 65 -3.736 18.207 -2.708 480 HB3 HIS 65 HB3 HIS 65 -4.129 19.112 -1.260 481 HD1 HIS 65 HD1 HIS 65 -2.747 19.776 -4.699 482 HD2 HIS 65 HD2 HIS 65 -2.613 21.442 -0.812 483 HE1 HIS 65 HE1 HIS 65 -1.789 22.066 -4.947 484 H VAL 66 HN VAL 66 -1.835 15.672 -0.402 485 HA VAL 66 HA VAL 66 -3.840 15.772 1.745 486 HB VAL 66 HB VAL 66 -1.942 13.620 0.797 487 HG11 VAL 66 HG11 VAL 66 -4.357 13.628 2.678 488 HG12 VAL 66 HG12 VAL 66 -3.713 12.138 2.023 489 HG13 VAL 66 HG13 VAL 66 -2.704 13.111 3.081 490 HG21 VAL 66 HG21 VAL 66 -3.528 14.168 -1.011 491 HG22 VAL 66 HG22 VAL 66 -3.913 12.598 -0.330 492 HG23 VAL 66 HG23 VAL 66 -4.885 14.018 0.125 493 H GLN 67 HN GLN 67 -3.414 15.785 3.864 494 HA GLN 67 HA GLN 67 -0.850 16.685 4.850 495 HB2 GLN 67 HB2 GLN 67 -2.921 15.826 6.850 496 HB3 GLN 67 HB3 GLN 67 -1.907 17.230 6.747 497 HG2 GLN 67 HG2 GLN 67 -4.033 18.112 6.552 498 HG3 GLN 67 HG3 GLN 67 -3.573 17.999 4.864 499 HE21 GLN 67 HE21 GLN 67 -5.501 16.454 7.458 500 HE22 GLN 67 HE22 GLN 67 -6.545 15.561 6.361 501 H ASN 68 HN ASN 68 -2.918 13.955 5.883 502 HA ASN 68 HA ASN 68 -0.598 12.576 7.035 503 HB2 ASN 68 HB2 ASN 68 -2.301 11.521 8.498 504 HB3 ASN 68 HB3 ASN 68 -2.153 13.249 8.711 505 HD21 ASN 68 HD21 ASN 68 -4.294 11.914 9.733 506 HD22 ASN 68 HD22 ASN 68 -5.752 12.394 8.887 507 H LYS 69 HN LYS 69 0.118 11.108 5.705 508 HA LYS 69 HA LYS 69 -1.268 10.276 3.392 509 HB2 LYS 69 HB2 LYS 69 1.200 9.048 4.733 510 HB3 LYS 69 HB3 LYS 69 0.699 8.843 3.067 511 HG2 LYS 69 HG2 LYS 69 1.634 11.425 4.388 512 HG3 LYS 69 HG3 LYS 69 2.474 10.513 3.144 513 HD2 LYS 69 HD2 LYS 69 0.507 10.977 1.613 514 HD3 LYS 69 HD3 LYS 69 -0.125 12.062 2.865 515 HE2 LYS 69 HE2 LYS 69 0.974 13.681 1.860 516 HE3 LYS 69 HE3 LYS 69 2.388 13.029 2.718 517 HZ1 LYS 69 HZ1 LYS 69 3.040 13.234 0.534 518 HZ2 LYS 69 HZ2 LYS 69 1.613 12.786 -0.093 519 HZ3 LYS 69 HZ3 LYS 69 2.660 11.650 0.558 520 H SER 70 HN SER 70 -1.085 8.773 6.471 521 HA SER 70 HA SER 70 -1.894 6.121 5.890 522 HB2 SER 70 HB2 SER 70 -2.810 7.540 8.392 523 HB3 SER 70 HB3 SER 70 -2.254 5.871 8.169 524 HG SER 70 HG SER 70 -0.663 6.931 9.199 525 H ALA 71 HN ALA 71 -3.727 9.116 6.675 526 HA ALA 71 HA ALA 71 -6.252 7.788 6.588 527 HB1 ALA 71 HB1 ALA 71 -7.143 10.029 7.026 528 HB2 ALA 71 HB2 ALA 71 -5.670 9.845 7.987 529 HB3 ALA 71 HB3 ALA 71 -5.626 10.783 6.486 530 H PHE 72 HN PHE 72 -4.251 8.682 4.086 531 HA PHE 72 HA PHE 72 -6.629 8.848 2.227 532 HB2 PHE 72 HB2 PHE 72 -4.622 10.275 1.816 533 HB3 PHE 72 HB3 PHE 72 -3.717 8.826 1.408 534 HD1 PHE 72 HD1 PHE 72 -4.670 7.327 -0.536 535 HD2 PHE 72 HD2 PHE 72 -6.017 11.355 0.255 536 HE1 PHE 72 HE1 PHE 72 -5.616 7.466 -2.819 537 HE2 PHE 72 HE2 PHE 72 -6.933 11.477 -2.053 538 HZ PHE 72 HZ PHE 72 -6.741 9.553 -3.572 539 H LEU 73 HN LEU 73 -3.765 6.926 2.943 540 HA LEU 73 HA LEU 73 -4.070 5.013 0.813 541 HB2 LEU 73 HB2 LEU 73 -1.915 5.513 1.821 542 HB3 LEU 73 HB3 LEU 73 -2.461 5.111 3.392 543 HG LEU 73 HG LEU 73 -0.932 3.443 2.048 544 HD11 LEU 73 HD11 LEU 73 -1.294 1.863 3.424 545 HD12 LEU 73 HD12 LEU 73 -3.069 2.197 3.593 546 HD13 LEU 73 HD13 LEU 73 -1.838 3.266 4.303 547 HD21 LEU 73 HD21 LEU 73 -2.472 3.276 0.045 548 HD22 LEU 73 HD22 LEU 73 -3.408 2.144 1.044 549 HD23 LEU 73 HD23 LEU 73 -1.709 1.825 0.668 550 H CYS 74 HN CYS 74 -4.582 4.879 4.273 551 HA CYS 74 HA CYS 74 -5.389 2.243 4.474 552 HB2 CYS 74 HB2 CYS 74 -4.797 3.850 6.343 553 HB3 CYS 74 HB3 CYS 74 -6.394 4.584 6.188 554 HG CYS 74 HG CYS 74 -5.882 1.363 6.620 555 H GLY 75 HN GLY 75 -7.273 5.137 3.560 556 HA2 GLY 75 HA1 GLY 75 -9.890 4.010 3.626 557 HA3 GLY 75 HA2 GLY 75 -9.377 5.422 2.710 558 H VAL 76 HN VAL 76 -7.414 4.171 0.970 559 HA VAL 76 HA VAL 76 -9.120 3.046 -1.046 560 HB VAL 76 HB VAL 76 -6.069 2.827 -0.835 561 HG11 VAL 76 HG11 VAL 76 -7.946 2.466 -3.176 562 HG12 VAL 76 HG12 VAL 76 -6.181 2.698 -3.330 563 HG13 VAL 76 HG13 VAL 76 -6.798 1.294 -2.470 564 HG21 VAL 76 HG21 VAL 76 -6.019 4.812 -2.342 565 HG22 VAL 76 HG22 VAL 76 -7.767 4.995 -2.133 566 HG23 VAL 76 HG23 VAL 76 -6.674 5.205 -0.748 567 H MET 77 HN MET 77 -6.823 1.568 1.327 568 HA MET 77 HA MET 77 -7.287 -1.131 0.516 569 HB2 MET 77 HB2 MET 77 -6.770 -0.226 3.373 570 HB3 MET 77 HB3 MET 77 -6.481 -1.814 2.664 571 HG2 MET 77 HG2 MET 77 -5.003 -0.057 1.035 572 HG3 MET 77 HG3 MET 77 -4.844 0.607 2.633 573 HE1 MET 77 HE1 MET 77 -1.526 -0.993 3.243 574 HE2 MET 77 HE2 MET 77 -2.173 0.335 2.253 575 HE3 MET 77 HE3 MET 77 -2.742 0.076 3.923 576 H LYS 78 HN LYS 78 -9.076 1.012 2.754 577 HA LYS 78 HA LYS 78 -10.715 -0.949 3.843 578 HB2 LYS 78 HB2 LYS 78 -10.472 1.795 4.169 579 HB3 LYS 78 HB3 LYS 78 -12.079 1.687 3.490 580 HG2 LYS 78 HG2 LYS 78 -11.643 -0.350 5.574 581 HG3 LYS 78 HG3 LYS 78 -11.239 1.237 6.160 582 HD2 LYS 78 HD2 LYS 78 -13.462 2.055 5.779 583 HD3 LYS 78 HD3 LYS 78 -13.897 0.635 4.820 584 HE2 LYS 78 HE2 LYS 78 -14.807 0.633 7.184 585 HE3 LYS 78 HE3 LYS 78 -13.896 -0.807 6.702 586 HZ1 LYS 78 HZ1 LYS 78 -12.012 -0.006 7.908 587 HZ2 LYS 78 HZ2 LYS 78 -13.280 -0.106 8.906 588 HZ3 LYS 78 HZ3 LYS 78 -12.784 1.382 8.349 589 H THR 79 HN THR 79 -11.498 1.169 1.022 590 HA THR 79 HA THR 79 -13.947 -0.220 0.471 591 HB THR 79 HB THR 79 -13.540 2.029 -0.393 592 HG1 THR 79 HG1 THR 79 -14.352 1.684 -2.418 593 HG21 THR 79 HG21 THR 79 -12.118 2.479 -2.347 594 HG22 THR 79 HG22 THR 79 -11.396 0.867 -2.193 595 HG23 THR 79 HG23 THR 79 -11.190 2.069 -0.906 596 H TYR 80 HN TYR 80 -10.544 -0.807 -0.783 597 HA TYR 80 HA TYR 80 -11.379 -2.773 -2.597 598 HB2 TYR 80 HB2 TYR 80 -8.804 -2.192 -1.194 599 HB3 TYR 80 HB3 TYR 80 -8.974 -3.786 -1.913 600 HD1 TYR 80 HD1 TYR 80 -9.876 -3.981 -4.320 601 HD2 TYR 80 HD2 TYR 80 -8.190 -0.403 -2.642 602 HE1 TYR 80 HE1 TYR 80 -9.338 -3.192 -6.602 603 HE2 TYR 80 HE2 TYR 80 -7.582 0.394 -4.885 604 HH TYR 80 HH TYR 80 -8.087 -1.597 -7.858 605 H ARG 81 HN ARG 81 -10.715 -3.096 0.882 606 HA ARG 81 HA ARG 81 -11.049 -5.989 0.917 607 HB2 ARG 81 HB2 ARG 81 -9.751 -4.315 2.490 608 HB3 ARG 81 HB3 ARG 81 -11.279 -4.160 3.319 609 HG2 ARG 81 HG2 ARG 81 -9.735 -6.766 2.900 610 HG3 ARG 81 HG3 ARG 81 -9.575 -5.711 4.289 611 HD2 ARG 81 HD2 ARG 81 -11.080 -7.106 5.236 612 HD3 ARG 81 HD3 ARG 81 -12.249 -6.065 4.434 613 HE ARG 81 HE ARG 81 -12.675 -7.706 2.858 614 HH11 ARG 81 HH11 ARG 81 -9.981 -8.847 4.999 615 HH12 ARG 81 HH12 ARG 81 -10.140 -10.483 4.422 616 HH21 ARG 81 HH21 ARG 81 -12.633 -9.765 2.018 617 HH22 ARG 81 HH22 ARG 81 -11.383 -10.904 2.438 618 H GLN 82 HN GLN 82 -13.317 -3.243 0.958 619 HA GLN 82 HA GLN 82 -15.580 -5.072 1.423 620 HB2 GLN 82 HB2 GLN 82 -14.827 -2.468 2.783 621 HB3 GLN 82 HB3 GLN 82 -16.477 -2.928 2.534 622 HG2 GLN 82 HG2 GLN 82 -15.781 -5.235 3.617 623 HG3 GLN 82 HG3 GLN 82 -14.376 -4.352 4.199 624 HE21 GLN 82 HE21 GLN 82 -17.167 -5.490 5.278 625 HE22 GLN 82 HE22 GLN 82 -17.737 -4.236 6.344 626 H ARG 83 HN ARG 83 -15.075 -4.902 -0.990 627 HA ARG 83 HA ARG 83 -16.637 -2.647 -2.207 628 HB2 ARG 83 HB2 ARG 83 -15.572 -3.255 -4.380 629 HB3 ARG 83 HB3 ARG 83 -14.489 -2.600 -3.165 630 HG2 ARG 83 HG2 ARG 83 -13.786 -4.971 -2.596 631 HG3 ARG 83 HG3 ARG 83 -14.744 -5.545 -3.964 632 HD2 ARG 83 HD2 ARG 83 -12.658 -3.356 -4.283 633 HD3 ARG 83 HD3 ARG 83 -12.180 -5.044 -4.252 634 HE ARG 83 HE ARG 83 -14.006 -5.282 -6.107 635 HH11 ARG 83 HH11 ARG 83 -11.895 -2.442 -5.865 636 HH12 ARG 83 HH12 ARG 83 -11.995 -2.071 -7.536 637 HH21 ARG 83 HH21 ARG 83 -14.018 -4.950 -8.202 638 HH22 ARG 83 HH22 ARG 83 -13.122 -3.690 -8.995 639 H GLU 84 HN GLU 84 -17.059 -5.591 -1.139 640 HA GLU 84 HA GLU 84 -18.974 -6.655 -3.039 641 HB2 GLU 84 HB2 GLU 84 -18.637 -6.985 -0.050 642 HB3 GLU 84 HB3 GLU 84 -19.884 -7.819 -0.980 643 HG2 GLU 84 HG2 GLU 84 -18.328 -9.178 -2.129 644 HG3 GLU 84 HG3 GLU 84 -16.967 -8.106 -1.757 645 H LYS 85 HN LYS 85 -20.606 -5.340 -3.672 646 HA LYS 85 HA LYS 85 -22.654 -4.716 -1.902 647 HB2 LYS 85 HB2 LYS 85 -21.067 -2.558 -1.784 648 HB3 LYS 85 HB3 LYS 85 -21.739 -2.237 -3.379 649 HG2 LYS 85 HG2 LYS 85 -23.015 -1.098 -1.656 650 HG3 LYS 85 HG3 LYS 85 -24.020 -2.338 -2.408 651 HD2 LYS 85 HD2 LYS 85 -24.459 -2.504 -0.089 652 HD3 LYS 85 HD3 LYS 85 -23.498 -3.856 -0.409 653 HE2 LYS 85 HE2 LYS 85 -22.474 -3.182 1.476 654 HE3 LYS 85 HE3 LYS 85 -21.440 -2.410 0.267 655 HZ1 LYS 85 HZ1 LYS 85 -21.985 -0.946 2.039 656 HZ2 LYS 85 HZ2 LYS 85 -23.606 -1.100 1.808 657 HZ3 LYS 85 HZ3 LYS 85 -22.621 -0.338 0.686 Start of MODEL 10 1 H1 GLY 1 HN GLY 1 15.129 -3.047 -7.604 2 HA2 GLY 1 HA1 GLY 1 13.409 -1.944 -6.288 3 HA3 GLY 1 HA2 GLY 1 13.737 -3.110 -4.986 4 H SER 2 HN SER 2 13.860 -0.501 -4.310 5 HA SER 2 HA SER 2 16.763 0.146 -4.034 6 HB2 SER 2 HB2 SER 2 14.271 1.688 -3.515 7 HB3 SER 2 HB3 SER 2 15.869 2.267 -3.027 8 HG SER 2 HG SER 2 15.174 1.515 -5.672 9 H GLU 3 HN GLU 3 16.713 1.335 -1.572 10 HA GLU 3 HA GLU 3 17.207 -0.740 0.155 11 HB2 GLU 3 HB2 GLU 3 17.480 0.959 1.824 12 HB3 GLU 3 HB3 GLU 3 18.018 1.510 0.235 13 HG2 GLU 3 HG2 GLU 3 15.689 2.691 0.085 14 HG3 GLU 3 HG3 GLU 3 15.671 2.496 1.845 15 H ASN 4 HN ASN 4 14.159 0.906 -0.352 16 HA ASN 4 HA ASN 4 12.775 0.129 1.983 17 HB2 ASN 4 HB2 ASN 4 11.193 0.276 -0.557 18 HB3 ASN 4 HB3 ASN 4 10.866 0.975 1.011 19 HD21 ASN 4 HD21 ASN 4 12.348 1.427 -2.128 20 HD22 ASN 4 HD22 ASN 4 12.750 3.132 -1.878 21 H PHE 5 HN PHE 5 13.181 -1.471 -1.160 22 HA PHE 5 HA PHE 5 11.249 -3.329 -1.213 23 HB2 PHE 5 HB2 PHE 5 12.895 -2.909 -2.990 24 HB3 PHE 5 HB3 PHE 5 14.136 -3.746 -2.067 25 HD1 PHE 5 HD1 PHE 5 10.703 -4.279 -3.491 26 HD2 PHE 5 HD2 PHE 5 14.461 -6.080 -2.366 27 HE1 PHE 5 HE1 PHE 5 9.945 -6.460 -4.342 28 HE2 PHE 5 HE2 PHE 5 13.732 -8.229 -3.334 29 HZ PHE 5 HZ PHE 5 11.434 -8.419 -4.345 30 H GLN 6 HN GLN 6 14.484 -4.171 0.178 31 HA GLN 6 HA GLN 6 13.613 -6.717 0.989 32 HB2 GLN 6 HB2 GLN 6 15.992 -6.023 0.675 33 HB3 GLN 6 HB3 GLN 6 15.901 -5.061 2.159 34 HG2 GLN 6 HG2 GLN 6 16.976 -7.255 2.537 35 HG3 GLN 6 HG3 GLN 6 15.493 -7.110 3.478 36 HE21 GLN 6 HE21 GLN 6 13.777 -8.567 3.039 37 HE22 GLN 6 HE22 GLN 6 13.918 -9.914 1.926 38 H THR 7 HN THR 7 13.432 -3.576 2.707 39 HA THR 7 HA THR 7 12.783 -4.723 5.243 40 HB THR 7 HB THR 7 11.975 -1.968 4.241 41 HG1 THR 7 HG1 THR 7 14.053 -1.321 4.853 42 HG21 THR 7 HG21 THR 7 11.232 -2.662 6.532 43 HG22 THR 7 HG22 THR 7 12.397 -1.325 6.581 44 HG23 THR 7 HG23 THR 7 12.921 -2.979 6.969 45 H LEU 8 HN LEU 8 10.814 -3.716 2.389 46 HA LEU 8 HA LEU 8 8.252 -4.197 3.624 47 HB2 LEU 8 HB2 LEU 8 9.149 -4.417 0.731 48 HB3 LEU 8 HB3 LEU 8 7.535 -4.738 1.234 49 HG LEU 8 HG LEU 8 6.922 -2.613 1.311 50 HD11 LEU 8 HD11 LEU 8 8.107 -0.677 2.132 51 HD12 LEU 8 HD12 LEU 8 9.598 -1.618 2.320 52 HD13 LEU 8 HD13 LEU 8 8.166 -1.997 3.303 53 HD21 LEU 8 HD21 LEU 8 8.114 -1.150 -0.275 54 HD22 LEU 8 HD22 LEU 8 8.073 -2.814 -0.883 55 HD23 LEU 8 HD23 LEU 8 9.553 -2.166 -0.152 56 H LEU 9 HN LEU 9 10.508 -6.348 1.862 57 HA LEU 9 HA LEU 9 8.891 -8.711 1.987 58 HB2 LEU 9 HB2 LEU 9 11.825 -8.110 1.552 59 HB3 LEU 9 HB3 LEU 9 11.394 -9.741 1.965 60 HG LEU 9 HG LEU 9 11.575 -9.747 -0.326 61 HD11 LEU 9 HD11 LEU 9 9.535 -10.485 -1.154 62 HD12 LEU 9 HD12 LEU 9 8.580 -9.415 -0.094 63 HD13 LEU 9 HD13 LEU 9 9.431 -10.823 0.575 64 HD21 LEU 9 HD21 LEU 9 11.633 -7.440 -0.841 65 HD22 LEU 9 HD22 LEU 9 9.947 -7.214 -0.358 66 HD23 LEU 9 HD23 LEU 9 10.341 -8.165 -1.815 67 H ASP 10 HN ASP 10 10.614 -7.109 4.465 68 HA ASP 10 HA ASP 10 10.703 -9.507 6.246 69 HB2 ASP 10 HB2 ASP 10 12.793 -8.296 5.870 70 HB3 ASP 10 HB3 ASP 10 12.034 -6.783 6.351 71 H ALA 11 HN ALA 11 8.935 -6.625 5.602 72 HA ALA 11 HA ALA 11 7.850 -6.189 8.280 73 HB1 ALA 11 HB1 ALA 11 8.460 -4.318 6.710 74 HB2 ALA 11 HB2 ALA 11 7.176 -4.919 5.613 75 HB3 ALA 11 HB3 ALA 11 6.787 -4.296 7.243 76 H GLY 12 HN GLY 12 7.390 -8.767 7.041 77 HA2 GLY 12 HA1 GLY 12 5.694 -10.248 7.174 78 HA3 GLY 12 HA2 GLY 12 4.603 -8.923 7.553 79 H LEU 13 HN LEU 13 6.065 -8.169 4.573 80 HA LEU 13 HA LEU 13 3.552 -8.985 3.234 81 HB2 LEU 13 HB2 LEU 13 5.710 -7.063 2.373 82 HB3 LEU 13 HB3 LEU 13 4.125 -7.289 1.635 83 HG LEU 13 HG LEU 13 4.412 -6.202 4.435 84 HD11 LEU 13 HD11 LEU 13 5.659 -4.742 2.874 85 HD12 LEU 13 HD12 LEU 13 4.154 -3.964 3.379 86 HD13 LEU 13 HD13 LEU 13 4.262 -4.704 1.777 87 HD21 LEU 13 HD21 LEU 13 2.209 -6.089 2.319 88 HD22 LEU 13 HD22 LEU 13 2.144 -5.350 3.940 89 HD23 LEU 13 HD23 LEU 13 2.190 -7.112 3.779 90 HA PRO 14 HA PRO 14 5.688 -11.663 0.308 91 HB2 PRO 14 HB2 PRO 14 4.017 -11.533 -1.888 92 HB3 PRO 14 HB3 PRO 14 3.558 -12.362 -0.371 93 HG2 PRO 14 HG2 PRO 14 2.908 -9.555 -1.226 94 HG3 PRO 14 HG3 PRO 14 1.773 -10.786 -0.600 95 HD2 PRO 14 HD2 PRO 14 2.786 -8.855 0.983 96 HD3 PRO 14 HD3 PRO 14 2.590 -10.517 1.595 97 H GLN 15 HN GLN 15 6.499 -11.737 -2.043 98 HA GLN 15 HA GLN 15 8.170 -9.468 -2.582 99 HB2 GLN 15 HB2 GLN 15 8.945 -11.723 -3.103 100 HB3 GLN 15 HB3 GLN 15 7.538 -12.039 -4.123 101 HG2 GLN 15 HG2 GLN 15 8.257 -10.391 -5.769 102 HG3 GLN 15 HG3 GLN 15 9.563 -9.840 -4.728 103 HE21 GLN 15 HE21 GLN 15 11.432 -11.309 -4.421 104 HE22 GLN 15 HE22 GLN 15 11.742 -12.568 -5.609 105 H LYS 16 HN LYS 16 5.305 -10.941 -4.277 106 HA LYS 16 HA LYS 16 5.534 -9.418 -6.374 107 HB2 LYS 16 HB2 LYS 16 3.699 -11.300 -5.401 108 HB3 LYS 16 HB3 LYS 16 2.647 -9.910 -5.635 109 HG2 LYS 16 HG2 LYS 16 4.531 -10.360 -7.883 110 HG3 LYS 16 HG3 LYS 16 3.543 -11.754 -7.529 111 HD2 LYS 16 HD2 LYS 16 1.496 -10.436 -7.862 112 HD3 LYS 16 HD3 LYS 16 2.466 -8.974 -8.131 113 HE2 LYS 16 HE2 LYS 16 3.531 -11.187 -9.639 114 HE3 LYS 16 HE3 LYS 16 1.788 -11.057 -9.990 115 HZ1 LYS 16 HZ1 LYS 16 3.722 -8.816 -10.201 116 HZ2 LYS 16 HZ2 LYS 16 2.141 -8.762 -10.632 117 HZ3 LYS 16 HZ3 LYS 16 3.180 -9.681 -11.487 118 H VAL 17 HN VAL 17 3.805 -8.554 -3.502 119 HA VAL 17 HA VAL 17 2.729 -6.013 -4.237 120 HB VAL 17 HB VAL 17 3.461 -7.358 -1.589 121 HG11 VAL 17 HG11 VAL 17 3.252 -4.847 -1.307 122 HG12 VAL 17 HG12 VAL 17 1.563 -4.996 -1.860 123 HG13 VAL 17 HG13 VAL 17 2.098 -5.815 -0.387 124 HG21 VAL 17 HG21 VAL 17 0.807 -7.054 -3.049 125 HG22 VAL 17 HG22 VAL 17 1.712 -8.563 -2.879 126 HG23 VAL 17 HG23 VAL 17 1.021 -7.800 -1.444 127 H ALA 18 HN ALA 18 5.649 -6.936 -2.299 128 HA ALA 18 HA ALA 18 6.731 -4.519 -1.883 129 HB1 ALA 18 HB1 ALA 18 8.936 -5.584 -1.717 130 HB2 ALA 18 HB2 ALA 18 7.715 -6.617 -0.975 131 HB3 ALA 18 HB3 ALA 18 8.340 -7.010 -2.581 132 H GLU 19 HN GLU 19 7.284 -6.438 -4.823 133 HA GLU 19 HA GLU 19 9.241 -4.850 -6.059 134 HB2 GLU 19 HB2 GLU 19 7.038 -6.720 -7.002 135 HB3 GLU 19 HB3 GLU 19 7.893 -5.797 -8.214 136 HG2 GLU 19 HG2 GLU 19 9.760 -7.102 -6.313 137 HG3 GLU 19 HG3 GLU 19 8.719 -8.249 -7.094 138 H LYS 20 HN LYS 20 5.689 -4.408 -6.105 139 HA LYS 20 HA LYS 20 5.953 -1.992 -7.798 140 HB2 LYS 20 HB2 LYS 20 3.668 -3.652 -6.720 141 HB3 LYS 20 HB3 LYS 20 3.366 -1.957 -7.076 142 HG2 LYS 20 HG2 LYS 20 2.770 -3.311 -8.994 143 HG3 LYS 20 HG3 LYS 20 4.102 -2.228 -9.386 144 HD2 LYS 20 HD2 LYS 20 5.702 -4.115 -9.098 145 HD3 LYS 20 HD3 LYS 20 4.356 -5.198 -8.745 146 HE2 LYS 20 HE2 LYS 20 4.575 -3.564 -11.307 147 HE3 LYS 20 HE3 LYS 20 5.412 -5.101 -11.138 148 HZ1 LYS 20 HZ1 LYS 20 2.469 -4.869 -10.921 149 HZ2 LYS 20 HZ2 LYS 20 3.418 -6.250 -11.037 150 HZ3 LYS 20 HZ3 LYS 20 3.308 -5.217 -12.270 151 H LEU 21 HN LEU 21 5.409 -2.820 -4.374 152 HA LEU 21 HA LEU 21 4.525 -0.249 -3.520 153 HB2 LEU 21 HB2 LEU 21 4.260 -2.472 -2.351 154 HB3 LEU 21 HB3 LEU 21 6.005 -2.386 -1.961 155 HG LEU 21 HG LEU 21 5.871 -0.792 -0.486 156 HD11 LEU 21 HD11 LEU 21 2.969 -0.172 -1.149 157 HD12 LEU 21 HD12 LEU 21 4.363 0.885 -1.455 158 HD13 LEU 21 HD13 LEU 21 3.888 0.510 0.193 159 HD21 LEU 21 HD21 LEU 21 4.529 -1.835 1.190 160 HD22 LEU 21 HD22 LEU 21 4.986 -3.100 0.060 161 HD23 LEU 21 HD23 LEU 21 3.349 -2.417 -0.007 162 H ASP 22 HN ASP 22 7.779 -1.749 -3.688 163 HA ASP 22 HA ASP 22 9.282 0.131 -2.254 164 HB2 ASP 22 HB2 ASP 22 10.221 -1.955 -2.872 165 HB3 ASP 22 HB3 ASP 22 9.837 -1.722 -4.568 166 H GLU 23 HN GLU 23 8.341 0.122 -5.697 167 HA GLU 23 HA GLU 23 9.800 2.376 -6.563 168 HB2 GLU 23 HB2 GLU 23 7.483 0.730 -7.464 169 HB3 GLU 23 HB3 GLU 23 7.413 2.375 -8.027 170 HG2 GLU 23 HG2 GLU 23 10.117 1.484 -8.465 171 HG3 GLU 23 HG3 GLU 23 9.026 0.191 -9.005 172 H ILE 24 HN ILE 24 6.791 2.218 -4.754 173 HA ILE 24 HA ILE 24 5.936 4.923 -5.338 174 HB ILE 24 HB ILE 24 5.101 3.236 -2.940 175 HG12 ILE 24 HG12 ILE 24 4.034 3.071 -5.797 176 HG13 ILE 24 HG13 ILE 24 4.820 1.805 -4.872 177 HG21 ILE 24 HG21 ILE 24 3.039 4.515 -3.004 178 HG22 ILE 24 HG22 ILE 24 4.373 5.646 -3.004 179 HG23 ILE 24 HG23 ILE 24 3.512 5.322 -4.513 180 HD11 ILE 24 HD11 ILE 24 2.508 1.300 -4.916 181 HD12 ILE 24 HD12 ILE 24 2.900 1.812 -3.262 182 HD13 ILE 24 HD13 ILE 24 2.057 2.919 -4.374 183 H TYR 25 HN TYR 25 8.223 3.452 -3.124 184 HA TYR 25 HA TYR 25 8.439 5.891 -1.482 185 HB2 TYR 25 HB2 TYR 25 9.821 3.188 -1.322 186 HB3 TYR 25 HB3 TYR 25 9.954 4.489 -0.141 187 HD1 TYR 25 HD2 TYR 25 7.364 5.487 0.334 188 HD2 TYR 25 HD1 TYR 25 8.449 1.406 -0.490 189 HE1 TYR 25 HE2 TYR 25 5.430 4.739 1.612 190 HE2 TYR 25 HE1 TYR 25 6.499 0.616 0.805 191 HH TYR 25 HH TYR 25 4.607 3.024 2.800 192 H VAL 26 HN VAL 26 10.248 4.139 -3.980 193 HA VAL 26 HA VAL 26 12.709 5.466 -3.789 194 HB VAL 26 HB VAL 26 11.185 4.457 -6.233 195 HG11 VAL 26 HG11 VAL 26 14.101 5.351 -6.006 196 HG12 VAL 26 HG12 VAL 26 13.462 4.352 -7.334 197 HG13 VAL 26 HG13 VAL 26 12.852 5.982 -7.101 198 HG21 VAL 26 HG21 VAL 26 12.814 2.553 -5.994 199 HG22 VAL 26 HG22 VAL 26 13.398 3.344 -4.503 200 HG23 VAL 26 HG23 VAL 26 11.760 2.712 -4.596 201 H ALA 27 HN ALA 27 9.845 6.565 -5.680 202 HA ALA 27 HA ALA 27 11.180 9.043 -6.407 203 HB1 ALA 27 HB1 ALA 27 8.336 8.080 -6.804 204 HB2 ALA 27 HB2 ALA 27 9.030 9.553 -7.515 205 HB3 ALA 27 HB3 ALA 27 9.674 7.957 -7.955 206 H GLY 28 HN GLY 28 10.055 8.192 -3.405 207 HA2 GLY 28 HA1 GLY 28 9.585 9.400 -1.571 208 HA3 GLY 28 HA2 GLY 28 10.165 10.814 -2.458 209 H LEU 29 HN LEU 29 7.331 9.000 -3.603 210 HA LEU 29 HA LEU 29 5.495 11.245 -3.356 211 HB2 LEU 29 HB2 LEU 29 4.819 8.289 -3.472 212 HB3 LEU 29 HB3 LEU 29 3.737 9.642 -3.713 213 HG LEU 29 HG LEU 29 5.837 10.165 -5.543 214 HD11 LEU 29 HD11 LEU 29 5.095 7.218 -5.450 215 HD12 LEU 29 HD12 LEU 29 6.714 7.905 -5.218 216 HD13 LEU 29 HD13 LEU 29 5.957 8.019 -6.814 217 HD21 LEU 29 HD21 LEU 29 3.205 8.756 -6.032 218 HD22 LEU 29 HD22 LEU 29 4.144 9.649 -7.234 219 HD23 LEU 29 HD23 LEU 29 3.429 10.521 -5.863 220 H VAL 30 HN VAL 30 6.236 8.298 -1.575 221 HA VAL 30 HA VAL 30 5.623 9.612 0.989 222 HB VAL 30 HB VAL 30 4.927 7.152 1.666 223 HG11 VAL 30 HG11 VAL 30 3.040 9.030 0.191 224 HG12 VAL 30 HG12 VAL 30 2.568 7.770 1.351 225 HG13 VAL 30 HG13 VAL 30 3.534 9.152 1.897 226 HG21 VAL 30 HG21 VAL 30 3.846 7.114 -1.169 227 HG22 VAL 30 HG22 VAL 30 5.256 6.168 -0.646 228 HG23 VAL 30 HG23 VAL 30 3.672 5.888 0.096 229 H ALA 31 HN ALA 31 6.750 8.236 2.767 230 HA ALA 31 HA ALA 31 9.407 7.257 1.830 231 HB1 ALA 31 HB1 ALA 31 10.082 7.491 4.219 232 HB2 ALA 31 HB2 ALA 31 9.632 9.061 3.530 233 HB3 ALA 31 HB3 ALA 31 8.506 8.182 4.596 234 H HIS 32 HN HIS 32 10.057 5.245 2.950 235 HA HIS 32 HA HIS 32 8.187 3.254 2.624 236 HB2 HIS 32 HB2 HIS 32 9.855 1.755 3.316 237 HB3 HIS 32 HB3 HIS 32 10.714 3.123 2.611 238 HD1 HIS 32 HD1 HIS 32 10.193 1.305 5.897 239 HD2 HIS 32 HD2 HIS 32 11.974 4.835 4.415 240 HE1 HIS 32 HE1 HIS 32 11.539 2.330 7.826 241 H SER 33 HN SER 33 8.154 5.262 5.326 242 HA SER 33 HA SER 33 6.570 3.341 6.900 243 HB2 SER 33 HB2 SER 33 9.142 3.977 7.627 244 HB3 SER 33 HB3 SER 33 8.251 5.220 8.498 245 HG SER 33 HG SER 33 7.720 2.417 8.550 246 H ASP 34 HN ASP 34 5.501 5.064 5.035 247 HA ASP 34 HA ASP 34 4.448 7.471 6.177 248 HB2 ASP 34 HB2 ASP 34 3.181 7.440 4.113 249 HB3 ASP 34 HB3 ASP 34 4.861 7.078 3.779 250 H LEU 35 HN LEU 35 3.784 4.177 6.727 251 HA LEU 35 HA LEU 35 0.861 4.551 6.802 252 HB2 LEU 35 HB2 LEU 35 2.641 2.093 6.832 253 HB3 LEU 35 HB3 LEU 35 0.903 2.047 7.032 254 HG LEU 35 HG LEU 35 2.469 2.869 4.582 255 HD11 LEU 35 HD11 LEU 35 2.036 0.518 4.911 256 HD12 LEU 35 HD12 LEU 35 1.103 1.124 3.530 257 HD13 LEU 35 HD13 LEU 35 0.304 0.800 5.076 258 HD21 LEU 35 HD21 LEU 35 -0.520 3.318 5.015 259 HD22 LEU 35 HD22 LEU 35 0.331 3.417 3.451 260 HD23 LEU 35 HD23 LEU 35 0.726 4.566 4.684 261 H ASP 36 HN ASP 36 -0.444 3.598 8.466 262 HA ASP 36 HA ASP 36 0.697 3.794 11.179 263 HB2 ASP 36 HB2 ASP 36 -1.621 3.726 11.911 264 HB3 ASP 36 HB3 ASP 36 -1.417 5.014 10.750 265 H GLU 37 HN GLU 37 -0.037 2.166 12.585 266 HA GLU 37 HA GLU 37 0.952 -0.393 12.129 267 HB2 GLU 37 HB2 GLU 37 0.584 0.516 14.328 268 HB3 GLU 37 HB3 GLU 37 -1.132 0.766 14.009 269 HG2 GLU 37 HG2 GLU 37 -1.397 -1.786 13.921 270 HG3 GLU 37 HG3 GLU 37 0.254 -1.884 14.524 271 H ARG 38 HN ARG 38 -2.508 0.615 12.003 272 HA ARG 38 HA ARG 38 -3.307 -2.111 11.435 273 HB2 ARG 38 HB2 ARG 38 -5.016 0.386 11.345 274 HB3 ARG 38 HB3 ARG 38 -5.561 -1.306 11.394 275 HG2 ARG 38 HG2 ARG 38 -4.239 -1.481 13.610 276 HG3 ARG 38 HG3 ARG 38 -4.161 0.283 13.568 277 HD2 ARG 38 HD2 ARG 38 -6.660 -1.453 13.628 278 HD3 ARG 38 HD3 ARG 38 -6.039 -0.433 14.934 279 HE ARG 38 HE ARG 38 -6.377 1.492 13.301 280 HH11 ARG 38 HH11 ARG 38 -8.622 -1.208 13.853 281 HH12 ARG 38 HH12 ARG 38 -10.013 -0.264 13.419 282 HH21 ARG 38 HH21 ARG 38 -8.278 2.627 12.458 283 HH22 ARG 38 HH22 ARG 38 -9.781 1.797 12.437 284 H ALA 39 HN ALA 39 -2.027 0.335 9.436 285 HA ALA 39 HA ALA 39 -3.366 -0.659 7.021 286 HB1 ALA 39 HB1 ALA 39 -0.888 1.030 7.273 287 HB2 ALA 39 HB2 ALA 39 -1.810 0.702 5.795 288 HB3 ALA 39 HB3 ALA 39 -2.534 1.672 7.091 289 H ILE 40 HN ILE 40 -0.075 -1.112 8.666 290 HA ILE 40 HA ILE 40 0.769 -3.103 6.916 291 HB ILE 40 HB ILE 40 1.312 -2.965 9.897 292 HG12 ILE 40 HG12 ILE 40 3.535 -2.031 8.450 293 HG13 ILE 40 HG13 ILE 40 2.184 -1.331 7.570 294 HG21 ILE 40 HG21 ILE 40 3.416 -4.198 9.275 295 HG22 ILE 40 HG22 ILE 40 1.944 -5.147 9.114 296 HG23 ILE 40 HG23 ILE 40 2.705 -4.489 7.664 297 HD11 ILE 40 HD11 ILE 40 1.347 -0.668 9.904 298 HD12 ILE 40 HD12 ILE 40 3.003 -1.003 10.452 299 HD13 ILE 40 HD13 ILE 40 2.707 0.242 9.208 300 H GLU 41 HN GLU 41 -1.134 -3.514 10.018 301 HA GLU 41 HA GLU 41 -1.421 -6.322 9.699 302 HB2 GLU 41 HB2 GLU 41 -1.847 -5.234 11.764 303 HB3 GLU 41 HB3 GLU 41 -3.047 -4.149 11.071 304 HG2 GLU 41 HG2 GLU 41 -4.745 -5.631 11.190 305 HG3 GLU 41 HG3 GLU 41 -3.743 -7.028 10.839 306 H ALA 42 HN ALA 42 -3.572 -3.717 8.341 307 HA ALA 42 HA ALA 42 -5.446 -5.671 7.338 308 HB1 ALA 42 HB1 ALA 42 -5.017 -2.762 6.606 309 HB2 ALA 42 HB2 ALA 42 -6.443 -3.728 6.183 310 HB3 ALA 42 HB3 ALA 42 -6.104 -3.376 7.882 311 H LEU 43 HN LEU 43 -2.455 -4.324 6.021 312 HA LEU 43 HA LEU 43 -2.871 -5.105 3.271 313 HB2 LEU 43 HB2 LEU 43 -0.455 -4.493 4.995 314 HB3 LEU 43 HB3 LEU 43 -0.220 -5.189 3.409 315 HG LEU 43 HG LEU 43 -1.932 -2.731 3.751 316 HD11 LEU 43 HD11 LEU 43 0.014 -1.322 3.290 317 HD12 LEU 43 HD12 LEU 43 1.081 -2.754 3.288 318 HD13 LEU 43 HD13 LEU 43 0.266 -2.232 4.770 319 HD21 LEU 43 HD21 LEU 43 -0.250 -3.696 1.393 320 HD22 LEU 43 HD22 LEU 43 -1.435 -2.359 1.408 321 HD23 LEU 43 HD23 LEU 43 -1.974 -4.020 1.586 322 H LYS 44 HN LYS 44 -1.809 -6.741 6.183 323 HA LYS 44 HA LYS 44 -0.875 -9.181 5.058 324 HB2 LYS 44 HB2 LYS 44 -1.303 -8.030 7.646 325 HB3 LYS 44 HB3 LYS 44 -2.296 -9.471 7.592 326 HG2 LYS 44 HG2 LYS 44 -0.354 -10.244 8.464 327 HG3 LYS 44 HG3 LYS 44 -0.147 -10.663 6.752 328 HD2 LYS 44 HD2 LYS 44 1.485 -8.958 6.418 329 HD3 LYS 44 HD3 LYS 44 0.961 -8.032 7.830 330 HE2 LYS 44 HE2 LYS 44 2.966 -9.074 8.482 331 HE3 LYS 44 HE3 LYS 44 1.642 -9.842 9.337 332 HZ1 LYS 44 HZ1 LYS 44 3.243 -11.464 8.409 333 HZ2 LYS 44 HZ2 LYS 44 2.932 -10.938 6.882 334 HZ3 LYS 44 HZ3 LYS 44 1.757 -11.695 7.755 335 H GLU 45 HN GLU 45 -4.080 -7.898 5.072 336 HA GLU 45 HA GLU 45 -5.345 -10.571 5.135 337 HB2 GLU 45 HB2 GLU 45 -6.496 -7.786 5.401 338 HB3 GLU 45 HB3 GLU 45 -7.413 -9.284 5.481 339 HG2 GLU 45 HG2 GLU 45 -6.059 -9.983 7.452 340 HG3 GLU 45 HG3 GLU 45 -5.278 -8.392 7.499 341 H PHE 46 HN PHE 46 -4.060 -8.824 2.624 342 HA PHE 46 HA PHE 46 -6.312 -9.328 0.755 343 HB2 PHE 46 HB2 PHE 46 -3.906 -7.511 0.640 344 HB3 PHE 46 HB3 PHE 46 -4.731 -8.054 -0.816 345 HD1 PHE 46 HD2 PHE 46 -7.314 -7.773 -0.962 346 HD2 PHE 46 HD1 PHE 46 -4.794 -5.569 1.760 347 HE1 PHE 46 HE2 PHE 46 -9.069 -6.070 -0.724 348 HE2 PHE 46 HE1 PHE 46 -6.517 -3.807 1.907 349 HZ PHE 46 HZ PHE 46 -8.709 -4.089 0.699 350 H ASN 47 HN ASN 47 -5.711 -10.252 -1.221 351 HA ASN 47 HA ASN 47 -3.669 -12.406 -1.138 352 HB2 ASN 47 HB2 ASN 47 -4.679 -13.287 -3.115 353 HB3 ASN 47 HB3 ASN 47 -5.951 -12.997 -1.982 354 HD21 ASN 47 HD21 ASN 47 -5.533 -12.927 -5.153 355 HD22 ASN 47 HD22 ASN 47 -6.616 -11.621 -5.554 356 H GLU 48 HN GLU 48 -2.670 -12.649 -3.414 357 HA GLU 48 HA GLU 48 -0.852 -10.725 -3.956 358 HB2 GLU 48 HB2 GLU 48 -1.039 -13.233 -4.570 359 HB3 GLU 48 HB3 GLU 48 -2.011 -12.724 -5.950 360 HG2 GLU 48 HG2 GLU 48 -0.011 -11.136 -6.421 361 HG3 GLU 48 HG3 GLU 48 0.852 -12.118 -5.233 362 H ASP 49 HN ASP 49 -3.627 -11.475 -6.167 363 HA ASP 49 HA ASP 49 -3.144 -9.191 -7.780 364 HB2 ASP 49 HB2 ASP 49 -4.419 -11.287 -8.461 365 HB3 ASP 49 HB3 ASP 49 -5.787 -10.613 -7.530 366 H GLY 50 HN GLY 50 -5.267 -9.649 -4.938 367 HA2 GLY 50 HA1 GLY 50 -6.820 -7.283 -5.255 368 HA3 GLY 50 HA2 GLY 50 -6.502 -8.134 -3.728 369 H ALA 51 HN ALA 51 -3.970 -7.945 -3.164 370 HA ALA 51 HA ALA 51 -3.448 -5.323 -2.341 371 HB1 ALA 51 HB1 ALA 51 -1.493 -7.587 -2.861 372 HB2 ALA 51 HB2 ALA 51 -1.160 -6.120 -1.902 373 HB3 ALA 51 HB3 ALA 51 -2.379 -7.290 -1.350 374 H LEU 52 HN LEU 52 -2.251 -6.976 -5.341 375 HA LEU 52 HA LEU 52 -0.575 -4.840 -6.169 376 HB2 LEU 52 HB2 LEU 52 -1.796 -7.257 -7.456 377 HB3 LEU 52 HB3 LEU 52 -1.332 -5.973 -8.547 378 HG LEU 52 HG LEU 52 0.405 -7.675 -8.314 379 HD11 LEU 52 HD11 LEU 52 1.297 -4.959 -7.267 380 HD12 LEU 52 HD12 LEU 52 0.995 -5.381 -8.967 381 HD13 LEU 52 HD13 LEU 52 2.301 -6.174 -8.073 382 HD21 LEU 52 HD21 LEU 52 0.653 -6.729 -5.427 383 HD22 LEU 52 HD22 LEU 52 1.843 -7.708 -6.290 384 HD23 LEU 52 HD23 LEU 52 0.238 -8.358 -6.006 385 H ALA 53 HN ALA 53 -4.085 -5.366 -6.721 386 HA ALA 53 HA ALA 53 -4.345 -3.080 -8.478 387 HB1 ALA 53 HB1 ALA 53 -5.999 -4.946 -8.279 388 HB2 ALA 53 HB2 ALA 53 -6.445 -4.342 -6.667 389 HB3 ALA 53 HB3 ALA 53 -6.709 -3.331 -8.112 390 H VAL 54 HN VAL 54 -4.783 -3.484 -4.896 391 HA VAL 54 HA VAL 54 -5.512 -0.811 -4.379 392 HB VAL 54 HB VAL 54 -3.806 -2.459 -2.489 393 HG11 VAL 54 HG11 VAL 54 -4.319 -0.086 -1.831 394 HG12 VAL 54 HG12 VAL 54 -6.043 -0.502 -1.877 395 HG13 VAL 54 HG13 VAL 54 -4.970 -1.287 -0.717 396 HG21 VAL 54 HG21 VAL 54 -6.598 -3.015 -3.359 397 HG22 VAL 54 HG22 VAL 54 -5.393 -4.073 -2.634 398 HG23 VAL 54 HG23 VAL 54 -6.342 -3.012 -1.607 399 H LEU 55 HN LEU 55 -2.293 -2.197 -4.816 400 HA LEU 55 HA LEU 55 -0.739 0.036 -3.843 401 HB2 LEU 55 HB2 LEU 55 -0.112 -2.195 -5.839 402 HB3 LEU 55 HB3 LEU 55 1.043 -0.941 -5.422 403 HG LEU 55 HG LEU 55 -0.083 -2.996 -3.481 404 HD11 LEU 55 HD11 LEU 55 2.641 -2.584 -4.770 405 HD12 LEU 55 HD12 LEU 55 1.506 -3.908 -5.116 406 HD13 LEU 55 HD13 LEU 55 2.285 -3.772 -3.534 407 HD21 LEU 55 HD21 LEU 55 1.909 -0.741 -3.072 408 HD22 LEU 55 HD22 LEU 55 1.666 -2.093 -1.939 409 HD23 LEU 55 HD23 LEU 55 0.358 -0.956 -2.237 410 H GLN 56 HN GLN 56 -1.784 -0.995 -7.084 411 HA GLN 56 HA GLN 56 -0.683 1.184 -8.521 412 HB2 GLN 56 HB2 GLN 56 -1.533 -0.894 -9.542 413 HB3 GLN 56 HB3 GLN 56 -3.189 -0.474 -9.080 414 HG2 GLN 56 HG2 GLN 56 -3.109 1.540 -10.488 415 HG3 GLN 56 HG3 GLN 56 -1.419 1.205 -10.916 416 HE21 GLN 56 HE21 GLN 56 -4.589 0.773 -11.961 417 HE22 GLN 56 HE22 GLN 56 -4.258 -0.565 -13.085 418 H GLN 57 HN GLN 57 -3.945 0.711 -7.027 419 HA GLN 57 HA GLN 57 -4.869 3.225 -8.081 420 HB2 GLN 57 HB2 GLN 57 -6.242 1.211 -7.516 421 HB3 GLN 57 HB3 GLN 57 -6.078 1.613 -5.802 422 HG2 GLN 57 HG2 GLN 57 -7.382 3.600 -6.046 423 HG3 GLN 57 HG3 GLN 57 -7.108 3.674 -7.780 424 HE21 GLN 57 HE21 GLN 57 -9.023 2.112 -5.252 425 HE22 GLN 57 HE22 GLN 57 -10.117 1.251 -6.264 426 H PHE 58 HN PHE 58 -3.232 2.356 -5.134 427 HA PHE 58 HA PHE 58 -3.538 4.844 -3.711 428 HB2 PHE 58 HB2 PHE 58 -2.774 2.797 -2.624 429 HB3 PHE 58 HB3 PHE 58 -1.359 2.717 -3.652 430 HD1 PHE 58 HD1 PHE 58 -2.991 5.296 -1.418 431 HD2 PHE 58 HD2 PHE 58 0.620 3.226 -2.524 432 HE1 PHE 58 HE1 PHE 58 -1.748 6.503 0.360 433 HE2 PHE 58 HE2 PHE 58 1.851 4.440 -0.760 434 HZ PHE 58 HZ PHE 58 0.681 6.083 0.686 435 H LYS 59 HN LYS 59 -0.700 3.636 -5.615 436 HA LYS 59 HA LYS 59 0.666 6.068 -5.878 437 HB2 LYS 59 HB2 LYS 59 1.720 4.018 -6.559 438 HB3 LYS 59 HB3 LYS 59 0.440 3.648 -7.715 439 HG2 LYS 59 HG2 LYS 59 2.273 4.336 -9.003 440 HG3 LYS 59 HG3 LYS 59 1.135 5.607 -9.096 441 HD2 LYS 59 HD2 LYS 59 3.136 6.754 -8.880 442 HD3 LYS 59 HD3 LYS 59 2.506 6.792 -7.242 443 HE2 LYS 59 HE2 LYS 59 4.878 6.300 -7.199 444 HE3 LYS 59 HE3 LYS 59 4.005 4.893 -6.625 445 HZ1 LYS 59 HZ1 LYS 59 5.825 4.406 -8.244 446 HZ2 LYS 59 HZ2 LYS 59 5.040 5.231 -9.400 447 HZ3 LYS 59 HZ3 LYS 59 4.364 3.876 -8.824 448 H ASP 60 HN ASP 60 -2.077 4.908 -7.818 449 HA ASP 60 HA ASP 60 -1.908 6.959 -9.810 450 HB2 ASP 60 HB2 ASP 60 -2.994 4.584 -9.873 451 HB3 ASP 60 HB3 ASP 60 -4.393 5.361 -9.121 452 H SER 61 HN SER 61 -1.982 8.105 -7.078 453 HA SER 61 HA SER 61 -4.156 10.011 -7.454 454 HB2 SER 61 HB2 SER 61 -3.705 8.669 -4.780 455 HB3 SER 61 HB3 SER 61 -4.918 9.879 -5.186 456 HG SER 61 HG SER 61 -4.746 7.207 -6.220 457 H ASP 62 HN ASP 62 -3.728 11.948 -6.188 458 HA ASP 62 HA ASP 62 -0.880 12.487 -6.381 459 HB2 ASP 62 HB2 ASP 62 -2.303 14.849 -6.923 460 HB3 ASP 62 HB3 ASP 62 -1.367 13.816 -7.969 461 H LEU 63 HN LEU 63 -0.523 12.060 -4.352 462 HA LEU 63 HA LEU 63 -1.897 12.949 -2.080 463 HB2 LEU 63 HB2 LEU 63 0.894 11.826 -2.564 464 HB3 LEU 63 HB3 LEU 63 0.237 12.034 -0.945 465 HG LEU 63 HG LEU 63 -1.153 10.333 -3.047 466 HD11 LEU 63 HD11 LEU 63 -0.121 8.464 -1.698 467 HD12 LEU 63 HD12 LEU 63 0.968 9.664 -0.982 468 HD13 LEU 63 HD13 LEU 63 0.968 9.378 -2.736 469 HD21 LEU 63 HD21 LEU 63 -1.530 10.691 -0.038 470 HD22 LEU 63 HD22 LEU 63 -2.191 9.331 -0.952 471 HD23 LEU 63 HD23 LEU 63 -2.714 10.958 -1.346 472 H SER 64 HN SER 64 -0.067 15.076 -3.882 473 HA SER 64 HA SER 64 1.992 15.847 -2.200 474 HB2 SER 64 HB2 SER 64 1.491 16.473 -4.666 475 HB3 SER 64 HB3 SER 64 0.619 17.874 -3.990 476 HG SER 64 HG SER 64 2.932 18.121 -4.495 477 H HIS 65 HN HIS 65 -1.325 17.242 -2.278 478 HA HIS 65 HA HIS 65 -0.763 18.563 0.346 479 HB2 HIS 65 HB2 HIS 65 -2.928 19.166 -1.681 480 HB3 HIS 65 HB3 HIS 65 -2.711 19.964 -0.129 481 HD1 HIS 65 HD1 HIS 65 -2.799 21.709 -2.615 482 HD2 HIS 65 HD2 HIS 65 0.743 20.045 -1.053 483 HE1 HIS 65 HE1 HIS 65 -0.910 23.145 -3.491 484 H VAL 66 HN VAL 66 -0.893 16.063 0.825 485 HA VAL 66 HA VAL 66 -3.577 15.719 2.056 486 HB VAL 66 HB VAL 66 -1.904 13.478 0.823 487 HG11 VAL 66 HG11 VAL 66 -2.948 12.712 2.904 488 HG12 VAL 66 HG12 VAL 66 -4.518 13.365 2.396 489 HG13 VAL 66 HG13 VAL 66 -3.783 12.006 1.528 490 HG21 VAL 66 HG21 VAL 66 -3.197 14.692 -0.903 491 HG22 VAL 66 HG22 VAL 66 -3.892 13.095 -0.619 492 HG23 VAL 66 HG23 VAL 66 -4.668 14.527 0.078 493 H GLN 67 HN GLN 67 -3.349 15.687 4.182 494 HA GLN 67 HA GLN 67 -0.784 15.858 5.489 495 HB2 GLN 67 HB2 GLN 67 -3.116 15.001 7.151 496 HB3 GLN 67 HB3 GLN 67 -1.904 16.219 7.441 497 HG2 GLN 67 HG2 GLN 67 -4.003 17.314 7.325 498 HG3 GLN 67 HG3 GLN 67 -3.161 17.738 5.837 499 HE21 GLN 67 HE21 GLN 67 -5.456 15.238 7.133 500 HE22 GLN 67 HE22 GLN 67 -6.352 15.065 5.633 501 H ASN 68 HN ASN 68 -3.291 13.280 5.366 502 HA ASN 68 HA ASN 68 -1.530 11.494 6.892 503 HB2 ASN 68 HB2 ASN 68 -3.652 10.520 7.680 504 HB3 ASN 68 HB3 ASN 68 -3.372 12.193 8.157 505 HD21 ASN 68 HD21 ASN 68 -5.879 11.206 8.463 506 HD22 ASN 68 HD22 ASN 68 -6.942 11.904 7.228 507 H LYS 69 HN LYS 69 -0.570 10.995 4.879 508 HA LYS 69 HA LYS 69 -1.532 9.651 2.664 509 HB2 LYS 69 HB2 LYS 69 1.011 8.899 4.190 510 HB3 LYS 69 HB3 LYS 69 0.719 8.729 2.467 511 HG2 LYS 69 HG2 LYS 69 1.029 11.373 3.995 512 HG3 LYS 69 HG3 LYS 69 2.215 10.638 2.929 513 HD2 LYS 69 HD2 LYS 69 0.594 10.775 1.059 514 HD3 LYS 69 HD3 LYS 69 -0.558 11.570 2.110 515 HE2 LYS 69 HE2 LYS 69 0.316 13.360 0.978 516 HE3 LYS 69 HE3 LYS 69 1.091 13.401 2.543 517 HZ1 LYS 69 HZ1 LYS 69 3.097 12.675 1.612 518 HZ2 LYS 69 HZ2 LYS 69 2.545 13.913 0.740 519 HZ3 LYS 69 HZ3 LYS 69 2.428 12.422 0.089 520 H SER 70 HN SER 70 -0.963 8.294 5.803 521 HA SER 70 HA SER 70 -1.294 5.544 5.201 522 HB2 SER 70 HB2 SER 70 -2.231 6.371 7.882 523 HB3 SER 70 HB3 SER 70 -0.992 5.229 7.408 524 HG SER 70 HG SER 70 0.481 6.940 7.203 525 H ALA 71 HN ALA 71 -3.669 7.990 6.356 526 HA ALA 71 HA ALA 71 -5.868 6.143 6.513 527 HB1 ALA 71 HB1 ALA 71 -5.795 8.272 7.803 528 HB2 ALA 71 HB2 ALA 71 -5.850 9.182 6.268 529 HB3 ALA 71 HB3 ALA 71 -7.227 8.184 6.754 530 H PHE 72 HN PHE 72 -4.464 8.158 3.980 531 HA PHE 72 HA PHE 72 -6.562 7.978 2.062 532 HB2 PHE 72 HB2 PHE 72 -4.430 9.369 1.898 533 HB3 PHE 72 HB3 PHE 72 -3.581 7.905 1.426 534 HD1 PHE 72 HD2 PHE 72 -4.625 6.539 -0.619 535 HD2 PHE 72 HD1 PHE 72 -5.315 10.717 0.206 536 HE1 PHE 72 HE2 PHE 72 -5.359 6.877 -2.958 537 HE2 PHE 72 HE1 PHE 72 -6.047 11.045 -2.113 538 HZ PHE 72 HZ PHE 72 -6.183 9.137 -3.670 539 H LEU 73 HN LEU 73 -3.714 5.846 2.615 540 HA LEU 73 HA LEU 73 -4.392 3.920 0.642 541 HB2 LEU 73 HB2 LEU 73 -2.165 4.127 1.798 542 HB3 LEU 73 HB3 LEU 73 -2.885 3.497 3.270 543 HG LEU 73 HG LEU 73 -3.492 1.378 2.072 544 HD11 LEU 73 HD11 LEU 73 -3.568 2.137 -0.262 545 HD12 LEU 73 HD12 LEU 73 -2.381 0.835 -0.073 546 HD13 LEU 73 HD13 LEU 73 -1.824 2.507 -0.187 547 HD21 LEU 73 HD21 LEU 73 -1.242 0.454 2.076 548 HD22 LEU 73 HD22 LEU 73 -1.419 1.621 3.408 549 HD23 LEU 73 HD23 LEU 73 -0.551 2.076 1.920 550 H CYS 74 HN CYS 74 -5.023 4.017 4.111 551 HA CYS 74 HA CYS 74 -6.454 1.611 4.437 552 HB2 CYS 74 HB2 CYS 74 -5.721 3.191 6.251 553 HB3 CYS 74 HB3 CYS 74 -7.081 4.251 5.827 554 HG CYS 74 HG CYS 74 -7.058 1.106 6.832 555 H GLY 75 HN GLY 75 -7.681 4.805 3.316 556 HA2 GLY 75 HA1 GLY 75 -10.426 4.184 3.101 557 HA3 GLY 75 HA2 GLY 75 -9.528 5.356 2.114 558 H VAL 76 HN VAL 76 -7.846 3.968 0.607 559 HA VAL 76 HA VAL 76 -9.422 2.751 -1.395 560 HB VAL 76 HB VAL 76 -6.419 2.400 -0.970 561 HG11 VAL 76 HG11 VAL 76 -7.379 0.964 -2.741 562 HG12 VAL 76 HG12 VAL 76 -8.109 2.374 -3.510 563 HG13 VAL 76 HG13 VAL 76 -6.336 2.203 -3.428 564 HG21 VAL 76 HG21 VAL 76 -7.022 4.848 -1.014 565 HG22 VAL 76 HG22 VAL 76 -6.104 4.350 -2.432 566 HG23 VAL 76 HG23 VAL 76 -7.858 4.572 -2.544 567 H MET 77 HN MET 77 -7.467 1.205 1.232 568 HA MET 77 HA MET 77 -7.924 -1.497 0.491 569 HB2 MET 77 HB2 MET 77 -7.673 -0.324 3.296 570 HB3 MET 77 HB3 MET 77 -7.724 -2.027 2.925 571 HG2 MET 77 HG2 MET 77 -5.656 -1.712 1.495 572 HG3 MET 77 HG3 MET 77 -5.562 -0.071 2.145 573 HE1 MET 77 HE1 MET 77 -3.957 0.364 4.059 574 HE2 MET 77 HE2 MET 77 -3.002 -0.983 4.709 575 HE3 MET 77 HE3 MET 77 -3.099 -0.747 2.954 576 H LYS 78 HN LYS 78 -10.005 0.699 2.463 577 HA LYS 78 HA LYS 78 -11.871 -1.323 3.241 578 HB2 LYS 78 HB2 LYS 78 -11.857 1.682 3.206 579 HB3 LYS 78 HB3 LYS 78 -13.444 0.931 3.055 580 HG2 LYS 78 HG2 LYS 78 -13.133 1.219 5.370 581 HG3 LYS 78 HG3 LYS 78 -12.946 -0.495 5.036 582 HD2 LYS 78 HD2 LYS 78 -10.434 -0.181 5.092 583 HD3 LYS 78 HD3 LYS 78 -10.704 1.527 5.468 584 HE2 LYS 78 HE2 LYS 78 -10.224 0.311 7.506 585 HE3 LYS 78 HE3 LYS 78 -11.889 0.903 7.547 586 HZ1 LYS 78 HZ1 LYS 78 -11.519 -1.420 8.282 587 HZ2 LYS 78 HZ2 LYS 78 -11.138 -1.841 6.760 588 HZ3 LYS 78 HZ3 LYS 78 -12.666 -1.303 7.087 589 H THR 79 HN THR 79 -12.051 0.986 0.448 590 HA THR 79 HA THR 79 -14.397 -0.088 -0.596 591 HB THR 79 HB THR 79 -12.094 1.100 -2.193 592 HG1 THR 79 HG1 THR 79 -13.108 3.087 -1.633 593 HG21 THR 79 HG21 THR 79 -14.033 0.328 -3.537 594 HG22 THR 79 HG22 THR 79 -13.966 2.102 -3.506 595 HG23 THR 79 HG23 THR 79 -15.130 1.238 -2.489 596 H TYR 80 HN TYR 80 -10.979 -1.120 -1.315 597 HA TYR 80 HA TYR 80 -11.767 -3.089 -3.189 598 HB2 TYR 80 HB2 TYR 80 -9.329 -2.680 -1.471 599 HB3 TYR 80 HB3 TYR 80 -9.550 -4.225 -2.277 600 HD1 TYR 80 HD1 TYR 80 -10.007 -4.292 -4.765 601 HD2 TYR 80 HD2 TYR 80 -8.529 -0.832 -2.747 602 HE1 TYR 80 HE1 TYR 80 -9.160 -3.395 -6.954 603 HE2 TYR 80 HE2 TYR 80 -7.660 0.078 -4.916 604 HH TYR 80 HH TYR 80 -8.253 -1.564 -8.011 605 H ARG 81 HN ARG 81 -11.650 -3.369 0.459 606 HA ARG 81 HA ARG 81 -12.306 -6.184 0.264 607 HB2 ARG 81 HB2 ARG 81 -10.958 -4.772 2.150 608 HB3 ARG 81 HB3 ARG 81 -12.604 -4.618 2.817 609 HG2 ARG 81 HG2 ARG 81 -12.741 -7.161 2.310 610 HG3 ARG 81 HG3 ARG 81 -10.993 -7.139 2.195 611 HD2 ARG 81 HD2 ARG 81 -12.631 -6.318 4.651 612 HD3 ARG 81 HD3 ARG 81 -11.871 -7.900 4.384 613 HE ARG 81 HE ARG 81 -10.081 -5.580 4.238 614 HH11 ARG 81 HH11 ARG 81 -11.432 -8.061 6.460 615 HH12 ARG 81 HH12 ARG 81 -9.951 -8.193 7.367 616 HH21 ARG 81 HH21 ARG 81 -8.266 -5.631 5.613 617 HH22 ARG 81 HH22 ARG 81 -8.326 -6.540 7.109 618 H GLN 82 HN GLN 82 -14.171 -3.291 -0.001 619 HA GLN 82 HA GLN 82 -16.659 -4.841 0.339 620 HB2 GLN 82 HB2 GLN 82 -15.656 -2.805 2.182 621 HB3 GLN 82 HB3 GLN 82 -17.159 -2.264 1.474 622 HG2 GLN 82 HG2 GLN 82 -16.793 -5.012 2.699 623 HG3 GLN 82 HG3 GLN 82 -17.373 -3.592 3.578 624 HE21 GLN 82 HE21 GLN 82 -19.114 -5.813 3.533 625 HE22 GLN 82 HE22 GLN 82 -20.463 -5.350 2.536 626 H ARG 83 HN ARG 83 -16.918 -4.857 -1.839 627 HA ARG 83 HA ARG 83 -17.513 -2.243 -3.144 628 HB2 ARG 83 HB2 ARG 83 -16.632 -3.153 -5.238 629 HB3 ARG 83 HB3 ARG 83 -15.414 -2.941 -3.995 630 HG2 ARG 83 HG2 ARG 83 -15.394 -5.383 -3.562 631 HG3 ARG 83 HG3 ARG 83 -16.672 -5.608 -4.767 632 HD2 ARG 83 HD2 ARG 83 -14.675 -4.096 -6.091 633 HD3 ARG 83 HD3 ARG 83 -13.774 -5.260 -5.128 634 HE ARG 83 HE ARG 83 -15.142 -7.061 -6.201 635 HH11 ARG 83 HH11 ARG 83 -14.877 -3.947 -8.019 636 HH12 ARG 83 HH12 ARG 83 -15.186 -4.769 -9.515 637 HH21 ARG 83 HH21 ARG 83 -15.495 -7.972 -8.083 638 HH22 ARG 83 HH22 ARG 83 -15.576 -7.113 -9.596 639 H GLU 84 HN GLU 84 -19.494 -3.259 -1.798 640 HA GLU 84 HA GLU 84 -21.418 -4.285 -3.746 641 HB2 GLU 84 HB2 GLU 84 -22.148 -6.045 -2.128 642 HB3 GLU 84 HB3 GLU 84 -20.516 -6.361 -2.725 643 HG2 GLU 84 HG2 GLU 84 -19.516 -5.511 -0.679 644 HG3 GLU 84 HG3 GLU 84 -21.090 -4.954 -0.086 645 H LYS 85 HN LYS 85 -23.655 -4.224 -2.479 646 HA LYS 85 HA LYS 85 -25.176 -3.323 -1.143 647 HB2 LYS 85 HB2 LYS 85 -23.051 -3.518 0.631 648 HB3 LYS 85 HB3 LYS 85 -23.482 -1.838 0.771 649 HG2 LYS 85 HG2 LYS 85 -24.696 -3.094 2.390 650 HG3 LYS 85 HG3 LYS 85 -25.854 -2.496 1.196 651 HD2 LYS 85 HD2 LYS 85 -26.292 -4.631 0.335 652 HD3 LYS 85 HD3 LYS 85 -24.718 -5.283 0.835 653 HE2 LYS 85 HE2 LYS 85 -25.351 -5.180 3.178 654 HE3 LYS 85 HE3 LYS 85 -26.887 -4.411 2.768 655 HZ1 LYS 85 HZ1 LYS 85 -26.148 -7.136 1.875 656 HZ2 LYS 85 HZ2 LYS 85 -27.617 -6.437 1.743 657 HZ3 LYS 85 HZ3 LYS 85 -27.041 -6.826 3.215 Start of MODEL 11 1 H1 GLY 1 HN GLY 1 15.168 -2.655 -7.227 2 HA2 GLY 1 HA1 GLY 1 13.000 -0.659 -7.645 3 HA3 GLY 1 HA2 GLY 1 13.174 -1.678 -6.205 4 H SER 2 HN SER 2 13.383 0.099 -4.823 5 HA SER 2 HA SER 2 16.162 1.168 -4.824 6 HB2 SER 2 HB2 SER 2 13.838 2.632 -4.615 7 HB3 SER 2 HB3 SER 2 14.265 2.381 -2.920 8 HG SER 2 HG SER 2 16.224 3.400 -3.287 9 H GLU 3 HN GLU 3 16.317 1.604 -2.126 10 HA GLU 3 HA GLU 3 17.000 -0.956 -1.112 11 HB2 GLU 3 HB2 GLU 3 17.283 0.385 1.064 12 HB3 GLU 3 HB3 GLU 3 18.329 0.714 -0.290 13 HG2 GLU 3 HG2 GLU 3 15.890 2.456 0.101 14 HG3 GLU 3 HG3 GLU 3 17.293 2.673 1.142 15 H ASN 4 HN ASN 4 13.999 0.917 -0.829 16 HA ASN 4 HA ASN 4 13.094 -0.078 1.625 17 HB2 ASN 4 HB2 ASN 4 11.042 0.316 -0.556 18 HB3 ASN 4 HB3 ASN 4 10.970 0.733 1.142 19 HD21 ASN 4 HD21 ASN 4 12.019 1.721 -2.057 20 HD22 ASN 4 HD22 ASN 4 12.455 3.388 -1.605 21 H PHE 5 HN PHE 5 12.819 -1.458 -1.601 22 HA PHE 5 HA PHE 5 11.029 -3.465 -1.448 23 HB2 PHE 5 HB2 PHE 5 12.434 -2.889 -3.413 24 HB3 PHE 5 HB3 PHE 5 13.828 -3.622 -2.659 25 HD1 PHE 5 HD1 PHE 5 10.292 -4.478 -3.666 26 HD2 PHE 5 HD2 PHE 5 14.355 -5.860 -3.185 27 HE1 PHE 5 HE1 PHE 5 9.708 -6.655 -4.739 28 HE2 PHE 5 HE2 PHE 5 13.745 -8.005 -4.271 29 HZ PHE 5 HZ PHE 5 11.437 -8.381 -5.077 30 H GLN 6 HN GLN 6 14.411 -3.861 -0.332 31 HA GLN 6 HA GLN 6 14.076 -6.628 0.350 32 HB2 GLN 6 HB2 GLN 6 16.304 -5.535 0.007 33 HB3 GLN 6 HB3 GLN 6 16.042 -4.567 1.469 34 HG2 GLN 6 HG2 GLN 6 17.509 -6.417 1.994 35 HG3 GLN 6 HG3 GLN 6 15.984 -6.670 2.843 36 HE21 GLN 6 HE21 GLN 6 14.610 -8.418 2.142 37 HE22 GLN 6 HE22 GLN 6 15.268 -9.696 1.126 38 H THR 7 HN THR 7 13.689 -3.621 2.316 39 HA THR 7 HA THR 7 13.322 -5.043 4.766 40 HB THR 7 HB THR 7 12.280 -2.274 4.073 41 HG1 THR 7 HG1 THR 7 14.359 -1.566 4.703 42 HG21 THR 7 HG21 THR 7 12.867 -1.811 6.439 43 HG22 THR 7 HG22 THR 7 13.433 -3.484 6.638 44 HG23 THR 7 HG23 THR 7 11.715 -3.151 6.327 45 H LEU 8 HN LEU 8 11.073 -3.952 2.173 46 HA LEU 8 HA LEU 8 8.650 -4.620 3.560 47 HB2 LEU 8 HB2 LEU 8 9.365 -4.584 0.616 48 HB3 LEU 8 HB3 LEU 8 7.817 -5.091 1.180 49 HG LEU 8 HG LEU 8 7.039 -3.016 1.533 50 HD11 LEU 8 HD11 LEU 8 8.270 -1.032 2.338 51 HD12 LEU 8 HD12 LEU 8 9.757 -1.973 2.385 52 HD13 LEU 8 HD13 LEU 8 8.409 -2.381 3.452 53 HD21 LEU 8 HD21 LEU 8 8.015 -3.058 -0.777 54 HD22 LEU 8 HD22 LEU 8 9.469 -2.259 -0.143 55 HD23 LEU 8 HD23 LEU 8 7.913 -1.419 -0.112 56 H LEU 9 HN LEU 9 10.927 -6.639 1.680 57 HA LEU 9 HA LEU 9 9.265 -9.005 1.715 58 HB2 LEU 9 HB2 LEU 9 12.196 -8.425 1.201 59 HB3 LEU 9 HB3 LEU 9 11.762 -10.046 1.595 60 HG LEU 9 HG LEU 9 11.820 -10.075 -0.668 61 HD11 LEU 9 HD11 LEU 9 9.598 -10.979 0.189 62 HD12 LEU 9 HD12 LEU 9 9.691 -10.587 -1.534 63 HD13 LEU 9 HD13 LEU 9 8.844 -9.491 -0.425 64 HD21 LEU 9 HD21 LEU 9 10.762 -8.402 -2.178 65 HD22 LEU 9 HD22 LEU 9 12.020 -7.720 -1.144 66 HD23 LEU 9 HD23 LEU 9 10.321 -7.448 -0.745 67 H ASP 10 HN ASP 10 11.182 -7.455 4.150 68 HA ASP 10 HA ASP 10 11.184 -9.870 5.899 69 HB2 ASP 10 HB2 ASP 10 13.143 -8.328 5.879 70 HB3 ASP 10 HB3 ASP 10 12.123 -7.056 6.547 71 H ALA 11 HN ALA 11 9.245 -7.093 5.237 72 HA ALA 11 HA ALA 11 8.368 -6.454 7.882 73 HB1 ALA 11 HB1 ALA 11 7.244 -5.615 5.181 74 HB2 ALA 11 HB2 ALA 11 7.074 -4.744 6.721 75 HB3 ALA 11 HB3 ALA 11 8.658 -4.842 5.962 76 H GLY 12 HN GLY 12 7.668 -9.176 6.599 77 HA2 GLY 12 HA1 GLY 12 6.009 -10.635 7.010 78 HA3 GLY 12 HA2 GLY 12 4.942 -9.346 7.538 79 H LEU 13 HN LEU 13 6.410 -8.984 4.376 80 HA LEU 13 HA LEU 13 3.759 -9.619 3.165 81 HB2 LEU 13 HB2 LEU 13 5.927 -7.723 2.258 82 HB3 LEU 13 HB3 LEU 13 4.311 -7.889 1.587 83 HG LEU 13 HG LEU 13 4.746 -6.886 4.408 84 HD11 LEU 13 HD11 LEU 13 4.490 -5.297 1.828 85 HD12 LEU 13 HD12 LEU 13 5.981 -5.434 2.794 86 HD13 LEU 13 HD13 LEU 13 4.563 -4.618 3.460 87 HD21 LEU 13 HD21 LEU 13 2.500 -5.896 3.930 88 HD22 LEU 13 HD22 LEU 13 2.473 -7.669 3.878 89 HD23 LEU 13 HD23 LEU 13 2.464 -6.726 2.364 90 HA PRO 14 HA PRO 14 5.844 -12.202 0.082 91 HB2 PRO 14 HB2 PRO 14 4.039 -12.126 -1.980 92 HB3 PRO 14 HB3 PRO 14 3.656 -12.915 -0.414 93 HG2 PRO 14 HG2 PRO 14 3.004 -10.110 -1.284 94 HG3 PRO 14 HG3 PRO 14 1.861 -11.316 -0.638 95 HD2 PRO 14 HD2 PRO 14 2.924 -9.458 0.966 96 HD3 PRO 14 HD3 PRO 14 2.758 -11.142 1.546 97 H GLN 15 HN GLN 15 6.505 -12.131 -2.389 98 HA GLN 15 HA GLN 15 8.025 -9.736 -2.811 99 HB2 GLN 15 HB2 GLN 15 8.942 -11.935 -3.335 100 HB3 GLN 15 HB3 GLN 15 7.625 -12.302 -4.437 101 HG2 GLN 15 HG2 GLN 15 8.453 -11.000 -6.145 102 HG3 GLN 15 HG3 GLN 15 9.129 -9.784 -5.062 103 HE21 GLN 15 HE21 GLN 15 11.131 -10.375 -3.789 104 HE22 GLN 15 HE22 GLN 15 12.310 -11.272 -4.638 105 H LYS 16 HN LYS 16 5.227 -11.331 -4.422 106 HA LYS 16 HA LYS 16 5.231 -9.734 -6.601 107 HB2 LYS 16 HB2 LYS 16 3.366 -11.572 -5.317 108 HB3 LYS 16 HB3 LYS 16 2.408 -10.226 -5.867 109 HG2 LYS 16 HG2 LYS 16 4.375 -11.609 -7.711 110 HG3 LYS 16 HG3 LYS 16 2.808 -12.304 -7.369 111 HD2 LYS 16 HD2 LYS 16 3.105 -9.478 -8.452 112 HD3 LYS 16 HD3 LYS 16 3.011 -10.899 -9.493 113 HE2 LYS 16 HE2 LYS 16 0.808 -11.469 -8.631 114 HE3 LYS 16 HE3 LYS 16 0.868 -10.120 -7.499 115 HZ1 LYS 16 HZ1 LYS 16 0.851 -8.592 -9.393 116 HZ2 LYS 16 HZ2 LYS 16 -0.430 -9.629 -9.475 117 HZ3 LYS 16 HZ3 LYS 16 0.837 -9.839 -10.452 118 H VAL 17 HN VAL 17 3.864 -9.006 -3.517 119 HA VAL 17 HA VAL 17 2.542 -6.523 -4.139 120 HB VAL 17 HB VAL 17 3.417 -7.996 -1.611 121 HG11 VAL 17 HG11 VAL 17 3.241 -5.609 -1.042 122 HG12 VAL 17 HG12 VAL 17 1.571 -5.581 -1.636 123 HG13 VAL 17 HG13 VAL 17 2.006 -6.598 -0.260 124 HG21 VAL 17 HG21 VAL 17 1.649 -9.188 -2.921 125 HG22 VAL 17 HG22 VAL 17 0.969 -8.532 -1.427 126 HG23 VAL 17 HG23 VAL 17 0.698 -7.713 -2.978 127 H ALA 18 HN ALA 18 5.601 -7.497 -2.437 128 HA ALA 18 HA ALA 18 6.630 -5.086 -1.816 129 HB1 ALA 18 HB1 ALA 18 8.304 -7.410 -2.875 130 HB2 ALA 18 HB2 ALA 18 8.858 -6.072 -1.858 131 HB3 ALA 18 HB3 ALA 18 7.726 -7.264 -1.209 132 H GLU 19 HN GLU 19 7.000 -6.677 -4.959 133 HA GLU 19 HA GLU 19 8.812 -4.946 -6.206 134 HB2 GLU 19 HB2 GLU 19 6.401 -6.541 -7.190 135 HB3 GLU 19 HB3 GLU 19 7.402 -5.620 -8.296 136 HG2 GLU 19 HG2 GLU 19 9.300 -7.197 -6.960 137 HG3 GLU 19 HG3 GLU 19 7.932 -8.258 -6.996 138 H LYS 20 HN LYS 20 5.220 -4.637 -6.124 139 HA LYS 20 HA LYS 20 5.399 -2.026 -7.518 140 HB2 LYS 20 HB2 LYS 20 3.115 -3.725 -6.451 141 HB3 LYS 20 HB3 LYS 20 2.873 -2.007 -6.755 142 HG2 LYS 20 HG2 LYS 20 2.130 -3.078 -8.676 143 HG3 LYS 20 HG3 LYS 20 3.633 -2.288 -9.119 144 HD2 LYS 20 HD2 LYS 20 3.807 -5.178 -8.270 145 HD3 LYS 20 HD3 LYS 20 2.944 -4.821 -9.779 146 HE2 LYS 20 HE2 LYS 20 4.980 -3.501 -10.504 147 HE3 LYS 20 HE3 LYS 20 5.850 -4.187 -9.129 148 HZ1 LYS 20 HZ1 LYS 20 5.353 -6.392 -10.042 149 HZ2 LYS 20 HZ2 LYS 20 6.103 -5.488 -11.213 150 HZ3 LYS 20 HZ3 LYS 20 4.484 -5.749 -11.247 151 H LEU 21 HN LEU 21 5.319 -3.189 -4.196 152 HA LEU 21 HA LEU 21 4.232 -0.773 -3.073 153 HB2 LEU 21 HB2 LEU 21 4.124 -3.117 -2.084 154 HB3 LEU 21 HB3 LEU 21 5.847 -2.958 -1.700 155 HG LEU 21 HG LEU 21 5.494 -1.253 -0.152 156 HD11 LEU 21 HD11 LEU 21 3.182 -0.463 0.489 157 HD12 LEU 21 HD12 LEU 21 2.588 -1.166 -1.017 158 HD13 LEU 21 HD13 LEU 21 3.780 0.156 -1.057 159 HD21 LEU 21 HD21 LEU 21 5.038 -3.606 0.505 160 HD22 LEU 21 HD22 LEU 21 3.304 -3.324 0.256 161 HD23 LEU 21 HD23 LEU 21 4.180 -2.433 1.519 162 H ASP 22 HN ASP 22 7.558 -2.061 -3.469 163 HA ASP 22 HA ASP 22 8.997 -0.108 -2.016 164 HB2 ASP 22 HB2 ASP 22 10.094 -2.045 -2.810 165 HB3 ASP 22 HB3 ASP 22 9.564 -1.790 -4.459 166 H GLU 23 HN GLU 23 7.902 -0.126 -5.389 167 HA GLU 23 HA GLU 23 8.885 2.235 -6.428 168 HB2 GLU 23 HB2 GLU 23 6.844 0.262 -6.967 169 HB3 GLU 23 HB3 GLU 23 6.088 1.786 -7.188 170 HG2 GLU 23 HG2 GLU 23 8.786 1.300 -8.476 171 HG3 GLU 23 HG3 GLU 23 7.287 0.681 -9.206 172 H ILE 24 HN ILE 24 6.141 1.780 -4.211 173 HA ILE 24 HA ILE 24 5.038 4.336 -4.744 174 HB ILE 24 HB ILE 24 4.631 2.677 -2.221 175 HG12 ILE 24 HG12 ILE 24 3.309 2.556 -4.976 176 HG13 ILE 24 HG13 ILE 24 4.123 1.272 -4.090 177 HG21 ILE 24 HG21 ILE 24 2.568 3.897 -1.949 178 HG22 ILE 24 HG22 ILE 24 3.851 5.076 -2.191 179 HG23 ILE 24 HG23 ILE 24 2.779 4.692 -3.527 180 HD11 ILE 24 HD11 ILE 24 1.407 2.445 -3.520 181 HD12 ILE 24 HD12 ILE 24 1.823 0.797 -4.001 182 HD13 ILE 24 HD13 ILE 24 2.267 1.375 -2.378 183 H TYR 25 HN TYR 25 7.483 3.090 -2.530 184 HA TYR 25 HA TYR 25 7.746 5.568 -1.034 185 HB2 TYR 25 HB2 TYR 25 9.433 3.057 -0.954 186 HB3 TYR 25 HB3 TYR 25 9.409 4.345 0.243 187 HD1 TYR 25 HD1 TYR 25 6.673 4.887 0.858 188 HD2 TYR 25 HD2 TYR 25 8.466 1.095 -0.090 189 HE1 TYR 25 HE1 TYR 25 4.798 3.733 1.996 190 HE2 TYR 25 HE2 TYR 25 6.632 -0.069 1.097 191 HH TYR 25 HH TYR 25 4.845 0.348 2.748 192 H VAL 26 HN VAL 26 8.852 4.616 -4.103 193 HA VAL 26 HA VAL 26 11.418 6.040 -3.908 194 HB VAL 26 HB VAL 26 9.958 4.931 -6.342 195 HG11 VAL 26 HG11 VAL 26 12.201 5.005 -7.389 196 HG12 VAL 26 HG12 VAL 26 11.671 6.622 -6.950 197 HG13 VAL 26 HG13 VAL 26 12.858 5.777 -5.943 198 HG21 VAL 26 HG21 VAL 26 12.048 3.749 -4.469 199 HG22 VAL 26 HG22 VAL 26 10.470 3.078 -4.903 200 HG23 VAL 26 HG23 VAL 26 11.744 3.103 -6.114 201 H ALA 27 HN ALA 27 8.121 6.694 -5.156 202 HA ALA 27 HA ALA 27 9.045 8.869 -6.815 203 HB1 ALA 27 HB1 ALA 27 7.211 7.437 -7.514 204 HB2 ALA 27 HB2 ALA 27 6.242 7.911 -6.091 205 HB3 ALA 27 HB3 ALA 27 6.627 9.096 -7.358 206 H GLY 28 HN GLY 28 8.584 8.847 -3.515 207 HA2 GLY 28 HA1 GLY 28 8.756 10.657 -2.124 208 HA3 GLY 28 HA2 GLY 28 8.113 11.744 -3.364 209 H LEU 29 HN LEU 29 6.011 9.466 -3.725 210 HA LEU 29 HA LEU 29 3.825 10.823 -2.743 211 HB2 LEU 29 HB2 LEU 29 4.132 7.824 -3.213 212 HB3 LEU 29 HB3 LEU 29 2.595 8.626 -2.988 213 HG LEU 29 HG LEU 29 4.519 9.336 -5.241 214 HD11 LEU 29 HD11 LEU 29 3.116 7.988 -6.695 215 HD12 LEU 29 HD12 LEU 29 2.057 7.553 -5.337 216 HD13 LEU 29 HD13 LEU 29 3.739 6.995 -5.351 217 HD21 LEU 29 HD21 LEU 29 1.546 9.987 -4.921 218 HD22 LEU 29 HD22 LEU 29 2.575 10.403 -6.296 219 HD23 LEU 29 HD23 LEU 29 2.888 11.143 -4.729 220 H VAL 30 HN VAL 30 5.269 7.897 -1.249 221 HA VAL 30 HA VAL 30 4.665 9.178 1.358 222 HB VAL 30 HB VAL 30 4.047 6.880 2.309 223 HG11 VAL 30 HG11 VAL 30 2.496 8.782 1.843 224 HG12 VAL 30 HG12 VAL 30 2.037 7.999 0.328 225 HG13 VAL 30 HG13 VAL 30 1.739 7.164 1.884 226 HG21 VAL 30 HG21 VAL 30 4.687 5.591 0.157 227 HG22 VAL 30 HG22 VAL 30 3.132 5.184 0.922 228 HG23 VAL 30 HG23 VAL 30 3.175 6.221 -0.513 229 H ALA 31 HN ALA 31 5.909 8.381 3.167 230 HA ALA 31 HA ALA 31 8.483 7.057 2.510 231 HB1 ALA 31 HB1 ALA 31 8.457 8.976 4.165 232 HB2 ALA 31 HB2 ALA 31 7.409 8.007 5.214 233 HB3 ALA 31 HB3 ALA 31 9.041 7.440 4.834 234 H HIS 32 HN HIS 32 8.940 5.031 3.682 235 HA HIS 32 HA HIS 32 6.824 3.155 3.689 236 HB2 HIS 32 HB2 HIS 32 8.416 1.639 4.767 237 HB3 HIS 32 HB3 HIS 32 9.098 2.457 3.370 238 HD1 HIS 32 HD1 HIS 32 9.489 2.334 7.244 239 HD2 HIS 32 HD2 HIS 32 11.186 4.091 3.766 240 HE1 HIS 32 HE1 HIS 32 11.620 3.410 7.962 241 H SER 33 HN SER 33 7.969 5.260 6.298 242 HA SER 33 HA SER 33 6.172 3.884 8.200 243 HB2 SER 33 HB2 SER 33 8.674 5.043 8.516 244 HB3 SER 33 HB3 SER 33 7.596 6.262 9.211 245 HG SER 33 HG SER 33 6.731 4.649 10.563 246 H ASP 34 HN ASP 34 5.513 6.137 5.825 247 HA ASP 34 HA ASP 34 4.214 8.102 7.538 248 HB2 ASP 34 HB2 ASP 34 5.222 8.221 4.973 249 HB3 ASP 34 HB3 ASP 34 3.520 8.054 4.623 250 H LEU 35 HN LEU 35 3.410 5.288 7.604 251 HA LEU 35 HA LEU 35 0.546 5.390 6.933 252 HB2 LEU 35 HB2 LEU 35 2.328 2.947 6.768 253 HB3 LEU 35 HB3 LEU 35 0.620 3.043 6.347 254 HG LEU 35 HG LEU 35 2.908 4.433 4.878 255 HD11 LEU 35 HD11 LEU 35 2.437 2.907 3.085 256 HD12 LEU 35 HD12 LEU 35 1.121 2.131 4.003 257 HD13 LEU 35 HD13 LEU 35 2.812 1.998 4.550 258 HD21 LEU 35 HD21 LEU 35 1.183 4.969 3.142 259 HD22 LEU 35 HD22 LEU 35 0.934 5.844 4.650 260 HD23 LEU 35 HD23 LEU 35 -0.086 4.444 4.273 261 H ASP 36 HN ASP 36 -0.082 2.974 8.378 262 HA ASP 36 HA ASP 36 0.906 3.457 11.131 263 HB2 ASP 36 HB2 ASP 36 -2.061 3.087 10.535 264 HB3 ASP 36 HB3 ASP 36 -1.300 3.357 12.106 265 H GLU 37 HN GLU 37 0.179 1.528 12.504 266 HA GLU 37 HA GLU 37 0.638 -0.982 11.408 267 HB2 GLU 37 HB2 GLU 37 0.403 -0.245 13.889 268 HB3 GLU 37 HB3 GLU 37 -1.324 -0.511 13.669 269 HG2 GLU 37 HG2 GLU 37 -0.595 -2.574 14.519 270 HG3 GLU 37 HG3 GLU 37 -0.578 -2.909 12.786 271 H ARG 38 HN ARG 38 -2.451 0.768 11.617 272 HA ARG 38 HA ARG 38 -4.184 -1.253 10.738 273 HB2 ARG 38 HB2 ARG 38 -4.315 1.741 10.103 274 HB3 ARG 38 HB3 ARG 38 -5.627 0.585 9.866 275 HG2 ARG 38 HG2 ARG 38 -5.435 0.010 12.329 276 HG3 ARG 38 HG3 ARG 38 -4.370 1.404 12.522 277 HD2 ARG 38 HD2 ARG 38 -6.111 2.951 11.981 278 HD3 ARG 38 HD3 ARG 38 -7.122 1.676 11.269 279 HE ARG 38 HE ARG 38 -6.462 1.275 14.077 280 HH11 ARG 38 HH11 ARG 38 -8.861 2.923 12.033 281 HH12 ARG 38 HH12 ARG 38 -10.217 2.423 12.990 282 HH21 ARG 38 HH21 ARG 38 -8.241 0.818 15.457 283 HH22 ARG 38 HH22 ARG 38 -9.848 1.162 14.927 284 H ALA 39 HN ALA 39 -1.803 0.468 8.829 285 HA ALA 39 HA ALA 39 -2.955 -0.363 6.251 286 HB1 ALA 39 HB1 ALA 39 -1.774 1.799 6.387 287 HB2 ALA 39 HB2 ALA 39 -0.297 0.963 6.940 288 HB3 ALA 39 HB3 ALA 39 -0.912 0.653 5.325 289 H ILE 40 HN ILE 40 -0.168 -1.141 8.384 290 HA ILE 40 HA ILE 40 1.044 -3.146 6.767 291 HB ILE 40 HB ILE 40 0.884 -2.962 9.817 292 HG12 ILE 40 HG12 ILE 40 1.785 -0.890 9.181 293 HG13 ILE 40 HG13 ILE 40 3.136 -1.876 9.675 294 HG21 ILE 40 HG21 ILE 40 1.735 -5.180 8.988 295 HG22 ILE 40 HG22 ILE 40 3.095 -4.301 8.240 296 HG23 ILE 40 HG23 ILE 40 2.857 -4.264 9.988 297 HD11 ILE 40 HD11 ILE 40 3.721 -2.270 7.278 298 HD12 ILE 40 HD12 ILE 40 2.376 -1.199 6.808 299 HD13 ILE 40 HD13 ILE 40 3.740 -0.555 7.739 300 H GLU 41 HN GLU 41 -1.351 -3.398 9.407 301 HA GLU 41 HA GLU 41 -1.721 -6.152 9.281 302 HB2 GLU 41 HB2 GLU 41 -2.385 -4.399 11.083 303 HB3 GLU 41 HB3 GLU 41 -3.783 -4.012 10.072 304 HG2 GLU 41 HG2 GLU 41 -4.585 -5.494 11.700 305 HG3 GLU 41 HG3 GLU 41 -4.417 -6.514 10.261 306 H ALA 42 HN ALA 42 -3.530 -3.528 7.639 307 HA ALA 42 HA ALA 42 -5.454 -5.215 6.381 308 HB1 ALA 42 HB1 ALA 42 -5.759 -3.216 4.869 309 HB2 ALA 42 HB2 ALA 42 -5.851 -2.838 6.606 310 HB3 ALA 42 HB3 ALA 42 -4.380 -2.460 5.689 311 H LEU 43 HN LEU 43 -2.168 -4.151 5.337 312 HA LEU 43 HA LEU 43 -2.320 -5.131 2.697 313 HB2 LEU 43 HB2 LEU 43 -0.156 -4.386 4.607 314 HB3 LEU 43 HB3 LEU 43 0.331 -5.567 3.407 315 HG LEU 43 HG LEU 43 -1.081 -3.011 2.679 316 HD11 LEU 43 HD11 LEU 43 0.994 -2.417 3.842 317 HD12 LEU 43 HD12 LEU 43 1.140 -2.062 2.112 318 HD13 LEU 43 HD13 LEU 43 1.926 -3.508 2.794 319 HD21 LEU 43 HD21 LEU 43 0.728 -4.777 0.969 320 HD22 LEU 43 HD22 LEU 43 -0.255 -3.391 0.433 321 HD23 LEU 43 HD23 LEU 43 -1.040 -4.860 0.946 322 H LYS 44 HN LYS 44 -1.596 -6.873 5.724 323 HA LYS 44 HA LYS 44 -0.756 -9.326 4.497 324 HB2 LYS 44 HB2 LYS 44 -2.294 -9.086 7.099 325 HB3 LYS 44 HB3 LYS 44 -1.259 -10.398 6.602 326 HG2 LYS 44 HG2 LYS 44 -0.381 -7.607 7.417 327 HG3 LYS 44 HG3 LYS 44 -0.261 -9.071 8.356 328 HD2 LYS 44 HD2 LYS 44 1.233 -9.895 6.263 329 HD3 LYS 44 HD3 LYS 44 1.452 -8.150 6.067 330 HE2 LYS 44 HE2 LYS 44 3.167 -8.413 7.426 331 HE3 LYS 44 HE3 LYS 44 1.927 -8.199 8.667 332 HZ1 LYS 44 HZ1 LYS 44 2.997 -10.769 7.691 333 HZ2 LYS 44 HZ2 LYS 44 1.763 -10.613 8.778 334 HZ3 LYS 44 HZ3 LYS 44 3.259 -10.054 9.176 335 H GLU 45 HN GLU 45 -3.937 -8.124 5.420 336 HA GLU 45 HA GLU 45 -5.437 -10.468 5.284 337 HB2 GLU 45 HB2 GLU 45 -6.045 -7.548 5.406 338 HB3 GLU 45 HB3 GLU 45 -7.366 -8.698 5.339 339 HG2 GLU 45 HG2 GLU 45 -5.124 -8.824 7.392 340 HG3 GLU 45 HG3 GLU 45 -6.676 -8.095 7.632 341 H PHE 46 HN PHE 46 -4.136 -9.616 2.471 342 HA PHE 46 HA PHE 46 -6.620 -9.694 0.857 343 HB2 PHE 46 HB2 PHE 46 -4.016 -8.166 0.416 344 HB3 PHE 46 HB3 PHE 46 -5.223 -8.450 -0.834 345 HD1 PHE 46 HD1 PHE 46 -7.777 -7.900 0.123 346 HD2 PHE 46 HD2 PHE 46 -4.093 -5.932 1.177 347 HE1 PHE 46 HE1 PHE 46 -9.027 -5.856 0.622 348 HE2 PHE 46 HE2 PHE 46 -5.350 -3.855 1.678 349 HZ PHE 46 HZ PHE 46 -7.852 -3.835 1.419 350 H ASN 47 HN ASN 47 -6.487 -11.117 -0.967 351 HA ASN 47 HA ASN 47 -4.483 -12.979 -1.431 352 HB2 ASN 47 HB2 ASN 47 -6.750 -11.715 -2.856 353 HB3 ASN 47 HB3 ASN 47 -5.492 -12.126 -3.941 354 HD21 ASN 47 HD21 ASN 47 -5.633 -14.154 -4.838 355 HD22 ASN 47 HD22 ASN 47 -6.244 -15.467 -3.844 356 H GLU 48 HN GLU 48 -3.426 -12.904 -3.593 357 HA GLU 48 HA GLU 48 -1.291 -11.131 -3.943 358 HB2 GLU 48 HB2 GLU 48 -1.757 -13.606 -4.647 359 HB3 GLU 48 HB3 GLU 48 -2.717 -12.910 -5.949 360 HG2 GLU 48 HG2 GLU 48 -0.629 -11.576 -6.535 361 HG3 GLU 48 HG3 GLU 48 0.193 -12.555 -5.330 362 H ASP 49 HN ASP 49 -4.347 -11.525 -5.999 363 HA ASP 49 HA ASP 49 -3.645 -9.059 -7.351 364 HB2 ASP 49 HB2 ASP 49 -5.168 -11.146 -8.159 365 HB3 ASP 49 HB3 ASP 49 -6.457 -10.033 -7.650 366 H GLY 50 HN GLY 50 -5.936 -9.888 -4.832 367 HA2 GLY 50 HA1 GLY 50 -7.262 -7.498 -4.337 368 HA3 GLY 50 HA2 GLY 50 -6.665 -8.579 -3.075 369 H ALA 51 HN ALA 51 -4.041 -8.420 -2.952 370 HA ALA 51 HA ALA 51 -3.545 -5.915 -1.802 371 HB1 ALA 51 HB1 ALA 51 -1.185 -6.684 -1.656 372 HB2 ALA 51 HB2 ALA 51 -2.324 -7.945 -1.143 373 HB3 ALA 51 HB3 ALA 51 -1.574 -8.039 -2.749 374 H LEU 52 HN LEU 52 -2.630 -7.103 -5.073 375 HA LEU 52 HA LEU 52 -1.061 -4.781 -5.742 376 HB2 LEU 52 HB2 LEU 52 -2.335 -7.016 -7.330 377 HB3 LEU 52 HB3 LEU 52 -1.834 -5.565 -8.172 378 HG LEU 52 HG LEU 52 -0.113 -7.174 -8.372 379 HD11 LEU 52 HD11 LEU 52 0.920 -5.085 -6.436 380 HD12 LEU 52 HD12 LEU 52 0.548 -4.805 -8.156 381 HD13 LEU 52 HD13 LEU 52 1.800 -5.966 -7.687 382 HD21 LEU 52 HD21 LEU 52 0.035 -7.338 -5.358 383 HD22 LEU 52 HD22 LEU 52 1.247 -7.987 -6.476 384 HD23 LEU 52 HD23 LEU 52 -0.406 -8.616 -6.506 385 H ALA 53 HN ALA 53 -4.532 -5.496 -6.529 386 HA ALA 53 HA ALA 53 -4.998 -3.190 -7.983 387 HB1 ALA 53 HB1 ALA 53 -6.950 -4.475 -6.023 388 HB2 ALA 53 HB2 ALA 53 -7.342 -3.510 -7.470 389 HB3 ALA 53 HB3 ALA 53 -6.573 -5.093 -7.648 390 H VAL 54 HN VAL 54 -5.258 -3.508 -4.459 391 HA VAL 54 HA VAL 54 -6.001 -0.890 -3.757 392 HB VAL 54 HB VAL 54 -4.217 -2.961 -2.407 393 HG11 VAL 54 HG11 VAL 54 -5.367 -0.478 -1.080 394 HG12 VAL 54 HG12 VAL 54 -4.545 -1.876 -0.306 395 HG13 VAL 54 HG13 VAL 54 -3.644 -0.808 -1.375 396 HG21 VAL 54 HG21 VAL 54 -7.040 -2.108 -1.707 397 HG22 VAL 54 HG22 VAL 54 -6.703 -3.432 -2.817 398 HG23 VAL 54 HG23 VAL 54 -6.159 -3.535 -1.137 399 H LEU 55 HN LEU 55 -2.790 -2.106 -4.680 400 HA LEU 55 HA LEU 55 -1.389 0.284 -3.667 401 HB2 LEU 55 HB2 LEU 55 -0.482 -2.110 -5.348 402 HB3 LEU 55 HB3 LEU 55 0.543 -0.775 -4.960 403 HG LEU 55 HG LEU 55 -0.510 -2.933 -3.178 404 HD11 LEU 55 HD11 LEU 55 2.208 -1.606 -3.387 405 HD12 LEU 55 HD12 LEU 55 1.739 -3.008 -4.333 406 HD13 LEU 55 HD13 LEU 55 1.837 -3.127 -2.560 407 HD21 LEU 55 HD21 LEU 55 -1.142 -1.018 -1.836 408 HD22 LEU 55 HD22 LEU 55 0.441 -0.254 -2.097 409 HD23 LEU 55 HD23 LEU 55 0.306 -1.750 -1.142 410 H GLN 56 HN GLN 56 -2.443 -1.095 -6.777 411 HA GLN 56 HA GLN 56 -1.153 0.946 -8.333 412 HB2 GLN 56 HB2 GLN 56 -3.361 -1.080 -8.983 413 HB3 GLN 56 HB3 GLN 56 -2.482 -0.083 -10.154 414 HG2 GLN 56 HG2 GLN 56 -0.367 -0.996 -8.871 415 HG3 GLN 56 HG3 GLN 56 -1.420 -2.344 -8.474 416 HE21 GLN 56 HE21 GLN 56 -2.804 -3.226 -10.474 417 HE22 GLN 56 HE22 GLN 56 -1.853 -3.343 -11.952 418 H GLN 57 HN GLN 57 -4.523 0.567 -7.111 419 HA GLN 57 HA GLN 57 -5.365 3.026 -8.377 420 HB2 GLN 57 HB2 GLN 57 -6.729 1.045 -7.418 421 HB3 GLN 57 HB3 GLN 57 -6.586 1.865 -5.864 422 HG2 GLN 57 HG2 GLN 57 -7.716 3.852 -6.762 423 HG3 GLN 57 HG3 GLN 57 -7.674 3.179 -8.401 424 HE21 GLN 57 HE21 GLN 57 -9.190 2.982 -5.267 425 HE22 GLN 57 HE22 GLN 57 -10.452 1.827 -5.614 426 H PHE 58 HN PHE 58 -3.320 2.333 -5.737 427 HA PHE 58 HA PHE 58 -3.960 4.842 -4.257 428 HB2 PHE 58 HB2 PHE 58 -3.554 2.962 -2.863 429 HB3 PHE 58 HB3 PHE 58 -2.054 2.565 -3.680 430 HD1 PHE 58 HD1 PHE 58 -3.313 5.823 -2.229 431 HD2 PHE 58 HD2 PHE 58 -0.361 2.687 -2.094 432 HE1 PHE 58 HE1 PHE 58 -2.041 7.060 -0.476 433 HE2 PHE 58 HE2 PHE 58 0.902 3.962 -0.379 434 HZ PHE 58 HZ PHE 58 0.082 6.167 0.385 435 H LYS 59 HN LYS 59 -1.274 3.441 -6.200 436 HA LYS 59 HA LYS 59 0.200 5.949 -6.175 437 HB2 LYS 59 HB2 LYS 59 1.349 3.835 -6.442 438 HB3 LYS 59 HB3 LYS 59 0.470 3.502 -7.952 439 HG2 LYS 59 HG2 LYS 59 1.521 5.264 -9.088 440 HG3 LYS 59 HG3 LYS 59 2.128 6.036 -7.629 441 HD2 LYS 59 HD2 LYS 59 3.124 3.274 -8.375 442 HD3 LYS 59 HD3 LYS 59 3.675 4.677 -9.280 443 HE2 LYS 59 HE2 LYS 59 3.975 5.520 -6.593 444 HE3 LYS 59 HE3 LYS 59 4.398 3.814 -6.553 445 HZ1 LYS 59 HZ1 LYS 59 6.377 4.992 -7.095 446 HZ2 LYS 59 HZ2 LYS 59 5.644 5.864 -8.302 447 HZ3 LYS 59 HZ3 LYS 59 5.916 4.282 -8.469 448 H ASP 60 HN ASP 60 -2.540 4.815 -8.002 449 HA ASP 60 HA ASP 60 -2.452 6.931 -10.015 450 HB2 ASP 60 HB2 ASP 60 -4.548 4.933 -9.074 451 HB3 ASP 60 HB3 ASP 60 -4.973 6.240 -10.166 452 H SER 61 HN SER 61 -1.860 8.220 -7.633 453 HA SER 61 HA SER 61 -4.173 10.011 -7.401 454 HB2 SER 61 HB2 SER 61 -3.055 8.595 -4.958 455 HB3 SER 61 HB3 SER 61 -4.180 9.971 -4.906 456 HG SER 61 HG SER 61 -4.754 7.580 -6.315 457 H ASP 62 HN ASP 62 -3.706 12.011 -6.417 458 HA ASP 62 HA ASP 62 -0.884 12.878 -6.778 459 HB2 ASP 62 HB2 ASP 62 -2.634 14.001 -8.128 460 HB3 ASP 62 HB3 ASP 62 -3.380 14.602 -6.643 461 H LEU 63 HN LEU 63 -0.354 11.858 -4.807 462 HA LEU 63 HA LEU 63 -1.798 12.490 -2.380 463 HB2 LEU 63 HB2 LEU 63 0.817 10.995 -2.801 464 HB3 LEU 63 HB3 LEU 63 -0.111 11.012 -1.300 465 HG LEU 63 HG LEU 63 -1.256 10.025 -3.964 466 HD11 LEU 63 HD11 LEU 63 0.502 8.537 -3.511 467 HD12 LEU 63 HD12 LEU 63 -0.980 7.754 -2.994 468 HD13 LEU 63 HD13 LEU 63 0.116 8.456 -1.766 469 HD21 LEU 63 HD21 LEU 63 -2.914 10.658 -2.104 470 HD22 LEU 63 HD22 LEU 63 -2.225 9.271 -1.205 471 HD23 LEU 63 HD23 LEU 63 -3.001 9.033 -2.757 472 H SER 64 HN SER 64 0.692 14.195 -4.035 473 HA SER 64 HA SER 64 2.353 15.220 -2.119 474 HB2 SER 64 HB2 SER 64 1.126 16.676 -4.500 475 HB3 SER 64 HB3 SER 64 2.756 16.850 -3.840 476 HG SER 64 HG SER 64 2.465 15.508 -5.811 477 H HIS 65 HN HIS 65 -1.021 16.052 -2.810 478 HA HIS 65 HA HIS 65 -0.893 18.414 -1.052 479 HB2 HIS 65 HB2 HIS 65 -3.024 17.403 -2.983 480 HB3 HIS 65 HB3 HIS 65 -3.112 18.912 -2.079 481 HD1 HIS 65 HD1 HIS 65 -1.548 17.525 -5.271 482 HD2 HIS 65 HD2 HIS 65 -1.154 20.802 -2.636 483 HE1 HIS 65 HE1 HIS 65 -0.491 19.397 -6.599 484 H VAL 66 HN VAL 66 -1.100 15.417 -0.118 485 HA VAL 66 HA VAL 66 -3.628 15.706 1.430 486 HB VAL 66 HB VAL 66 -1.919 13.340 0.753 487 HG11 VAL 66 HG11 VAL 66 -3.995 12.113 1.791 488 HG12 VAL 66 HG12 VAL 66 -2.913 12.911 2.929 489 HG13 VAL 66 HG13 VAL 66 -4.445 13.686 2.456 490 HG21 VAL 66 HG21 VAL 66 -3.288 14.140 -1.172 491 HG22 VAL 66 HG22 VAL 66 -3.843 12.578 -0.589 492 HG23 VAL 66 HG23 VAL 66 -4.742 14.026 -0.150 493 H GLN 67 HN GLN 67 -3.610 15.906 3.495 494 HA GLN 67 HA GLN 67 -1.352 16.568 5.061 495 HB2 GLN 67 HB2 GLN 67 -3.745 17.309 5.297 496 HB3 GLN 67 HB3 GLN 67 -4.164 15.721 5.937 497 HG2 GLN 67 HG2 GLN 67 -2.055 17.534 7.154 498 HG3 GLN 67 HG3 GLN 67 -3.762 17.630 7.589 499 HE21 GLN 67 HE21 GLN 67 -4.784 15.759 8.814 500 HE22 GLN 67 HE22 GLN 67 -3.664 14.795 9.716 501 H ASN 68 HN ASN 68 -3.531 13.689 5.465 502 HA ASN 68 HA ASN 68 -1.358 12.374 6.970 503 HB2 ASN 68 HB2 ASN 68 -3.145 11.178 8.126 504 HB3 ASN 68 HB3 ASN 68 -3.118 12.902 8.415 505 HD21 ASN 68 HD21 ASN 68 -5.370 11.550 9.127 506 HD22 ASN 68 HD22 ASN 68 -6.663 11.828 7.937 507 H LYS 69 HN LYS 69 -0.345 11.371 5.343 508 HA LYS 69 HA LYS 69 -1.380 10.169 3.049 509 HB2 LYS 69 HB2 LYS 69 1.082 9.350 4.678 510 HB3 LYS 69 HB3 LYS 69 0.732 8.933 3.012 511 HG2 LYS 69 HG2 LYS 69 1.402 11.697 4.124 512 HG3 LYS 69 HG3 LYS 69 2.359 10.700 3.030 513 HD2 LYS 69 HD2 LYS 69 0.404 10.853 1.431 514 HD3 LYS 69 HD3 LYS 69 -0.225 12.175 2.418 515 HE2 LYS 69 HE2 LYS 69 2.608 12.152 1.255 516 HE3 LYS 69 HE3 LYS 69 1.223 12.864 0.424 517 HZ1 LYS 69 HZ1 LYS 69 0.938 14.365 2.334 518 HZ2 LYS 69 HZ2 LYS 69 2.415 14.539 1.638 519 HZ3 LYS 69 HZ3 LYS 69 2.296 13.735 3.031 520 H SER 70 HN SER 70 -1.200 8.859 6.161 521 HA SER 70 HA SER 70 -1.406 6.034 5.736 522 HB2 SER 70 HB2 SER 70 -2.678 6.739 8.187 523 HB3 SER 70 HB3 SER 70 -1.074 6.073 7.957 524 HG SER 70 HG SER 70 -0.334 7.915 8.587 525 H ALA 71 HN ALA 71 -3.828 8.541 6.614 526 HA ALA 71 HA ALA 71 -6.046 6.766 6.665 527 HB1 ALA 71 HB1 ALA 71 -5.958 9.792 6.191 528 HB2 ALA 71 HB2 ALA 71 -7.397 8.856 6.645 529 HB3 ALA 71 HB3 ALA 71 -6.043 8.993 7.785 530 H PHE 72 HN PHE 72 -4.593 8.730 4.130 531 HA PHE 72 HA PHE 72 -6.730 8.404 2.225 532 HB2 PHE 72 HB2 PHE 72 -4.868 10.061 2.008 533 HB3 PHE 72 HB3 PHE 72 -3.770 8.748 1.604 534 HD1 PHE 72 HD1 PHE 72 -4.364 7.272 -0.497 535 HD2 PHE 72 HD2 PHE 72 -6.234 11.069 0.362 536 HE1 PHE 72 HE1 PHE 72 -5.225 7.382 -2.823 537 HE2 PHE 72 HE2 PHE 72 -7.068 11.166 -1.962 538 HZ PHE 72 HZ PHE 72 -6.558 9.329 -3.551 539 H LEU 73 HN LEU 73 -3.733 6.604 2.825 540 HA LEU 73 HA LEU 73 -3.972 4.741 0.651 541 HB2 LEU 73 HB2 LEU 73 -1.857 5.227 1.707 542 HB3 LEU 73 HB3 LEU 73 -2.419 4.815 3.283 543 HG LEU 73 HG LEU 73 -0.893 3.152 1.827 544 HD11 LEU 73 HD11 LEU 73 -2.974 1.931 3.527 545 HD12 LEU 73 HD12 LEU 73 -1.710 2.984 4.172 546 HD13 LEU 73 HD13 LEU 73 -1.229 1.559 3.289 547 HD21 LEU 73 HD21 LEU 73 -2.685 2.993 -0.007 548 HD22 LEU 73 HD22 LEU 73 -3.432 1.814 1.069 549 HD23 LEU 73 HD23 LEU 73 -1.776 1.580 0.500 550 H CYS 74 HN CYS 74 -4.480 4.437 4.139 551 HA CYS 74 HA CYS 74 -5.402 1.789 4.030 552 HB2 CYS 74 HB2 CYS 74 -4.617 3.284 6.050 553 HB3 CYS 74 HB3 CYS 74 -6.346 3.685 6.202 554 HG CYS 74 HG CYS 74 -7.027 1.054 6.022 555 H GLY 75 HN GLY 75 -7.198 4.858 3.558 556 HA2 GLY 75 HA1 GLY 75 -9.855 3.932 3.582 557 HA3 GLY 75 HA2 GLY 75 -9.201 5.224 2.566 558 H VAL 76 HN VAL 76 -7.502 4.016 0.797 559 HA VAL 76 HA VAL 76 -9.189 2.797 -1.095 560 HB VAL 76 HB VAL 76 -6.156 2.518 -0.942 561 HG11 VAL 76 HG11 VAL 76 -6.303 2.364 -3.411 562 HG12 VAL 76 HG12 VAL 76 -7.058 1.014 -2.586 563 HG13 VAL 76 HG13 VAL 76 -8.071 2.304 -3.282 564 HG21 VAL 76 HG21 VAL 76 -7.861 4.732 -2.161 565 HG22 VAL 76 HG22 VAL 76 -6.656 4.893 -0.866 566 HG23 VAL 76 HG23 VAL 76 -6.131 4.497 -2.500 567 H MET 77 HN MET 77 -6.849 1.299 1.174 568 HA MET 77 HA MET 77 -7.217 -1.410 0.538 569 HB2 MET 77 HB2 MET 77 -6.952 -0.401 3.399 570 HB3 MET 77 HB3 MET 77 -6.499 -1.967 2.756 571 HG2 MET 77 HG2 MET 77 -4.746 -0.845 1.382 572 HG3 MET 77 HG3 MET 77 -5.185 0.689 2.087 573 HE1 MET 77 HE1 MET 77 -2.320 0.197 2.132 574 HE2 MET 77 HE2 MET 77 -1.631 -0.905 3.337 575 HE3 MET 77 HE3 MET 77 -2.520 -1.555 1.929 576 H LYS 78 HN LYS 78 -9.077 0.554 2.832 577 HA LYS 78 HA LYS 78 -10.702 -1.618 3.769 578 HB2 LYS 78 HB2 LYS 78 -10.334 0.661 4.908 579 HB3 LYS 78 HB3 LYS 78 -11.524 1.329 3.758 580 HG2 LYS 78 HG2 LYS 78 -13.257 -0.125 4.586 581 HG3 LYS 78 HG3 LYS 78 -12.130 -1.101 5.521 582 HD2 LYS 78 HD2 LYS 78 -12.625 1.850 6.080 583 HD3 LYS 78 HD3 LYS 78 -13.584 0.581 6.815 584 HE2 LYS 78 HE2 LYS 78 -10.565 0.857 7.133 585 HE3 LYS 78 HE3 LYS 78 -11.778 1.394 8.289 586 HZ1 LYS 78 HZ1 LYS 78 -11.060 -1.360 7.574 587 HZ2 LYS 78 HZ2 LYS 78 -12.533 -1.020 8.268 588 HZ3 LYS 78 HZ3 LYS 78 -11.129 -0.678 9.047 589 H THR 79 HN THR 79 -11.196 0.874 1.285 590 HA THR 79 HA THR 79 -13.860 0.185 0.604 591 HB THR 79 HB THR 79 -11.757 1.314 -1.311 592 HG1 THR 79 HG1 THR 79 -11.571 2.607 0.477 593 HG21 THR 79 HG21 THR 79 -14.725 1.854 -0.879 594 HG22 THR 79 HG22 THR 79 -14.056 0.859 -2.200 595 HG23 THR 79 HG23 THR 79 -13.710 2.599 -2.132 596 H TYR 80 HN TYR 80 -10.712 -0.955 -0.806 597 HA TYR 80 HA TYR 80 -11.886 -2.688 -2.671 598 HB2 TYR 80 HB2 TYR 80 -9.213 -2.488 -1.353 599 HB3 TYR 80 HB3 TYR 80 -9.629 -3.987 -2.160 600 HD1 TYR 80 HD1 TYR 80 -10.368 -4.050 -4.531 601 HD2 TYR 80 HD2 TYR 80 -8.619 -0.577 -2.699 602 HE1 TYR 80 HE1 TYR 80 -9.816 -3.193 -6.778 603 HE2 TYR 80 HE2 TYR 80 -7.980 0.280 -4.962 604 HH TYR 80 HH TYR 80 -8.804 -1.492 -7.986 605 H ARG 81 HN ARG 81 -10.869 -3.335 0.721 606 HA ARG 81 HA ARG 81 -11.432 -6.127 0.603 607 HB2 ARG 81 HB2 ARG 81 -10.053 -4.864 2.400 608 HB3 ARG 81 HB3 ARG 81 -11.603 -4.423 3.130 609 HG2 ARG 81 HG2 ARG 81 -12.192 -6.808 3.325 610 HG3 ARG 81 HG3 ARG 81 -10.696 -7.284 2.513 611 HD2 ARG 81 HD2 ARG 81 -9.419 -6.990 4.390 612 HD3 ARG 81 HD3 ARG 81 -10.316 -5.550 4.890 613 HE ARG 81 HE ARG 81 -11.959 -6.790 5.901 614 HH11 ARG 81 HH11 ARG 81 -9.514 -9.088 4.576 615 HH12 ARG 81 HH12 ARG 81 -9.991 -10.354 5.651 616 HH21 ARG 81 HH21 ARG 81 -12.578 -8.549 7.248 617 HH22 ARG 81 HH22 ARG 81 -12.000 -10.113 6.894 618 H GLN 82 HN GLN 82 -13.400 -3.384 1.752 619 HA GLN 82 HA GLN 82 -15.773 -5.158 1.712 620 HB2 GLN 82 HB2 GLN 82 -15.191 -2.861 3.266 621 HB3 GLN 82 HB3 GLN 82 -16.460 -2.396 2.145 622 HG2 GLN 82 HG2 GLN 82 -17.652 -4.606 2.770 623 HG3 GLN 82 HG3 GLN 82 -16.512 -4.697 4.114 624 HE21 GLN 82 HE21 GLN 82 -19.609 -3.561 3.155 625 HE22 GLN 82 HE22 GLN 82 -19.864 -2.553 4.550 626 H ARG 83 HN ARG 83 -15.163 -5.526 -0.485 627 HA ARG 83 HA ARG 83 -16.912 -3.851 -2.254 628 HB2 ARG 83 HB2 ARG 83 -14.611 -5.603 -3.123 629 HB3 ARG 83 HB3 ARG 83 -15.966 -5.149 -4.178 630 HG2 ARG 83 HG2 ARG 83 -15.561 -2.732 -3.594 631 HG3 ARG 83 HG3 ARG 83 -14.074 -3.246 -2.776 632 HD2 ARG 83 HD2 ARG 83 -13.164 -4.077 -4.883 633 HD3 ARG 83 HD3 ARG 83 -14.704 -3.717 -5.706 634 HE ARG 83 HE ARG 83 -13.474 -1.445 -4.332 635 HH11 ARG 83 HH11 ARG 83 -13.067 -3.277 -7.361 636 HH12 ARG 83 HH12 ARG 83 -12.643 -1.846 -8.248 637 HH21 ARG 83 HH21 ARG 83 -13.248 0.458 -5.679 638 HH22 ARG 83 HH22 ARG 83 -12.765 0.193 -7.327 639 H GLU 84 HN GLU 84 -18.569 -4.651 -1.013 640 HA GLU 84 HA GLU 84 -19.653 -7.063 -2.234 641 HB2 GLU 84 HB2 GLU 84 -20.022 -6.394 0.729 642 HB3 GLU 84 HB3 GLU 84 -21.028 -7.516 -0.215 643 HG2 GLU 84 HG2 GLU 84 -18.857 -8.734 -0.830 644 HG3 GLU 84 HG3 GLU 84 -18.048 -7.742 0.381 645 H LYS 85 HN LYS 85 -20.388 -5.760 -3.732 646 HA LYS 85 HA LYS 85 -21.913 -3.273 -3.144 647 HB2 LYS 85 HB2 LYS 85 -19.543 -3.212 -4.219 648 HB3 LYS 85 HB3 LYS 85 -20.325 -3.920 -5.634 649 HG2 LYS 85 HG2 LYS 85 -20.186 -1.523 -5.842 650 HG3 LYS 85 HG3 LYS 85 -21.867 -1.998 -5.727 651 HD2 LYS 85 HD2 LYS 85 -22.220 -0.926 -3.737 652 HD3 LYS 85 HD3 LYS 85 -20.610 -1.280 -3.110 653 HE2 LYS 85 HE2 LYS 85 -19.697 0.602 -3.876 654 HE3 LYS 85 HE3 LYS 85 -20.495 0.436 -5.455 655 HZ1 LYS 85 HZ1 LYS 85 -21.626 1.726 -3.056 656 HZ2 LYS 85 HZ2 LYS 85 -22.532 1.285 -4.356 657 HZ3 LYS 85 HZ3 LYS 85 -21.351 2.385 -4.553 Start of MODEL 12 1 H1 GLY 1 HN GLY 1 14.451 -3.932 -7.113 2 HA2 GLY 1 HA1 GLY 1 13.680 -1.101 -7.732 3 HA3 GLY 1 HA2 GLY 1 12.978 -2.148 -6.487 4 H SER 2 HN SER 2 13.485 -0.732 -4.906 5 HA SER 2 HA SER 2 16.304 0.068 -4.527 6 HB2 SER 2 HB2 SER 2 14.904 1.825 -3.129 7 HB3 SER 2 HB3 SER 2 15.166 1.984 -4.853 8 HG SER 2 HG SER 2 12.851 0.680 -3.835 9 H GLU 3 HN GLU 3 16.487 0.749 -1.993 10 HA GLU 3 HA GLU 3 16.978 -1.574 -0.570 11 HB2 GLU 3 HB2 GLU 3 17.192 -0.134 1.384 12 HB3 GLU 3 HB3 GLU 3 17.859 0.640 -0.045 13 HG2 GLU 3 HG2 GLU 3 15.566 1.864 -0.258 14 HG3 GLU 3 HG3 GLU 3 15.212 1.231 1.344 15 H ASN 4 HN ASN 4 13.975 0.289 -0.686 16 HA ASN 4 HA ASN 4 12.843 -0.577 1.714 17 HB2 ASN 4 HB2 ASN 4 10.979 -0.077 -0.589 18 HB3 ASN 4 HB3 ASN 4 10.869 0.450 1.077 19 HD21 ASN 4 HD21 ASN 4 12.130 1.129 -2.104 20 HD22 ASN 4 HD22 ASN 4 12.678 2.768 -1.809 21 H PHE 5 HN PHE 5 12.784 -2.009 -1.504 22 HA PHE 5 HA PHE 5 10.954 -4.043 -1.370 23 HB2 PHE 5 HB2 PHE 5 12.532 -3.455 -3.251 24 HB3 PHE 5 HB3 PHE 5 13.817 -4.264 -2.386 25 HD1 PHE 5 HD1 PHE 5 10.270 -5.101 -3.360 26 HD2 PHE 5 HD2 PHE 5 14.394 -6.328 -3.315 27 HE1 PHE 5 HE1 PHE 5 9.683 -7.185 -4.613 28 HE2 PHE 5 HE2 PHE 5 13.811 -8.323 -4.652 29 HZ PHE 5 HZ PHE 5 11.446 -8.732 -5.333 30 H GLN 6 HN GLN 6 14.290 -4.220 0.006 31 HA GLN 6 HA GLN 6 13.903 -6.966 0.811 32 HB2 GLN 6 HB2 GLN 6 16.157 -5.980 0.411 33 HB3 GLN 6 HB3 GLN 6 15.944 -4.929 1.816 34 HG2 GLN 6 HG2 GLN 6 17.290 -6.798 2.457 35 HG3 GLN 6 HG3 GLN 6 15.762 -6.968 3.281 36 HE21 GLN 6 HE21 GLN 6 14.257 -8.681 2.565 37 HE22 GLN 6 HE22 GLN 6 14.817 -9.990 1.535 38 H THR 7 HN THR 7 13.688 -3.809 2.561 39 HA THR 7 HA THR 7 13.134 -4.897 5.097 40 HB THR 7 HB THR 7 12.138 -2.235 3.975 41 HG1 THR 7 HG1 THR 7 14.193 -1.448 4.600 42 HG21 THR 7 HG21 THR 7 11.422 -2.726 6.269 43 HG22 THR 7 HG22 THR 7 12.675 -1.475 6.307 44 HG23 THR 7 HG23 THR 7 13.089 -3.156 6.720 45 H LEU 8 HN LEU 8 11.006 -4.114 2.359 46 HA LEU 8 HA LEU 8 8.499 -4.643 3.644 47 HB2 LEU 8 HB2 LEU 8 9.484 -4.443 0.799 48 HB3 LEU 8 HB3 LEU 8 7.890 -5.047 1.109 49 HG LEU 8 HG LEU 8 7.013 -3.051 1.693 50 HD11 LEU 8 HD11 LEU 8 8.343 -2.428 3.640 51 HD12 LEU 8 HD12 LEU 8 8.132 -1.044 2.555 52 HD13 LEU 8 HD13 LEU 8 9.675 -1.899 2.602 53 HD21 LEU 8 HD21 LEU 8 7.863 -2.889 -0.597 54 HD22 LEU 8 HD22 LEU 8 9.407 -2.255 -0.016 55 HD23 LEU 8 HD23 LEU 8 7.954 -1.286 0.173 56 H LEU 9 HN LEU 9 10.749 -6.761 1.770 57 HA LEU 9 HA LEU 9 9.017 -9.054 1.789 58 HB2 LEU 9 HB2 LEU 9 12.014 -8.676 1.543 59 HB3 LEU 9 HB3 LEU 9 11.420 -10.253 1.971 60 HG LEU 9 HG LEU 9 11.774 -10.385 -0.279 61 HD11 LEU 9 HD11 LEU 9 8.790 -9.845 -0.263 62 HD12 LEU 9 HD12 LEU 9 9.530 -11.301 0.424 63 HD13 LEU 9 HD13 LEU 9 9.715 -10.940 -1.299 64 HD21 LEU 9 HD21 LEU 9 12.019 -8.087 -0.909 65 HD22 LEU 9 HD22 LEU 9 10.284 -7.801 -0.708 66 HD23 LEU 9 HD23 LEU 9 10.870 -8.865 -2.003 67 H ASP 10 HN ASP 10 10.870 -7.536 4.361 68 HA ASP 10 HA ASP 10 10.385 -9.915 6.109 69 HB2 ASP 10 HB2 ASP 10 12.603 -8.376 5.983 70 HB3 ASP 10 HB3 ASP 10 11.708 -7.502 7.244 71 H ALA 11 HN ALA 11 8.855 -7.000 5.273 72 HA ALA 11 HA ALA 11 7.592 -6.381 7.785 73 HB1 ALA 11 HB1 ALA 11 6.220 -4.875 6.499 74 HB2 ALA 11 HB2 ALA 11 7.900 -4.734 5.964 75 HB3 ALA 11 HB3 ALA 11 6.724 -5.637 4.983 76 H GLY 12 HN GLY 12 7.290 -9.125 5.948 77 HA2 GLY 12 HA1 GLY 12 5.757 -10.830 6.564 78 HA3 GLY 12 HA2 GLY 12 4.538 -9.662 6.902 79 H LEU 13 HN LEU 13 6.128 -8.893 4.001 80 HA LEU 13 HA LEU 13 3.549 -9.381 2.696 81 HB2 LEU 13 HB2 LEU 13 5.872 -7.590 1.895 82 HB3 LEU 13 HB3 LEU 13 4.236 -7.571 1.233 83 HG LEU 13 HG LEU 13 4.854 -6.944 4.162 84 HD11 LEU 13 HD11 LEU 13 5.911 -5.296 2.472 85 HD12 LEU 13 HD12 LEU 13 4.911 -4.679 3.769 86 HD13 LEU 13 HD13 LEU 13 4.205 -4.771 2.178 87 HD21 LEU 13 HD21 LEU 13 2.409 -6.447 2.412 88 HD22 LEU 13 HD22 LEU 13 2.599 -5.937 4.108 89 HD23 LEU 13 HD23 LEU 13 2.532 -7.654 3.708 90 HA PRO 14 HA PRO 14 5.508 -12.286 -0.035 91 HB2 PRO 14 HB2 PRO 14 3.831 -12.246 -2.212 92 HB3 PRO 14 HB3 PRO 14 3.385 -12.987 -0.643 93 HG2 PRO 14 HG2 PRO 14 2.780 -10.239 -1.671 94 HG3 PRO 14 HG3 PRO 14 1.607 -11.398 -0.956 95 HD2 PRO 14 HD2 PRO 14 2.735 -9.365 0.469 96 HD3 PRO 14 HD3 PRO 14 2.435 -10.959 1.228 97 H GLN 15 HN GLN 15 6.439 -12.365 -2.359 98 HA GLN 15 HA GLN 15 8.115 -10.061 -2.670 99 HB2 GLN 15 HB2 GLN 15 8.969 -12.279 -3.154 100 HB3 GLN 15 HB3 GLN 15 7.674 -12.610 -4.306 101 HG2 GLN 15 HG2 GLN 15 8.535 -11.149 -5.923 102 HG3 GLN 15 HG3 GLN 15 9.462 -10.223 -4.758 103 HE21 GLN 15 HE21 GLN 15 11.629 -10.586 -4.766 104 HE22 GLN 15 HE22 GLN 15 12.397 -11.967 -5.497 105 H LYS 16 HN LYS 16 5.390 -11.537 -4.549 106 HA LYS 16 HA LYS 16 5.490 -9.796 -6.554 107 HB2 LYS 16 HB2 LYS 16 3.643 -11.777 -5.478 108 HB3 LYS 16 HB3 LYS 16 2.681 -10.448 -6.045 109 HG2 LYS 16 HG2 LYS 16 4.864 -11.699 -7.693 110 HG3 LYS 16 HG3 LYS 16 3.199 -12.263 -7.721 111 HD2 LYS 16 HD2 LYS 16 2.351 -10.330 -8.693 112 HD3 LYS 16 HD3 LYS 16 3.736 -9.315 -8.242 113 HE2 LYS 16 HE2 LYS 16 4.008 -11.694 -10.074 114 HE3 LYS 16 HE3 LYS 16 3.583 -10.074 -10.687 115 HZ1 LYS 16 HZ1 LYS 16 5.702 -9.265 -9.720 116 HZ2 LYS 16 HZ2 LYS 16 5.951 -10.444 -10.812 117 HZ3 LYS 16 HZ3 LYS 16 6.060 -10.754 -9.214 118 H VAL 17 HN VAL 17 3.924 -9.143 -3.469 119 HA VAL 17 HA VAL 17 2.719 -6.631 -4.329 120 HB VAL 17 HB VAL 17 3.223 -7.808 -1.558 121 HG11 VAL 17 HG11 VAL 17 2.878 -5.268 -1.637 122 HG12 VAL 17 HG12 VAL 17 1.268 -5.586 -2.311 123 HG13 VAL 17 HG13 VAL 17 1.698 -6.171 -0.689 124 HG21 VAL 17 HG21 VAL 17 1.601 -9.141 -2.991 125 HG22 VAL 17 HG22 VAL 17 0.794 -8.348 -1.625 126 HG23 VAL 17 HG23 VAL 17 0.708 -7.675 -3.273 127 H ALA 18 HN ALA 18 5.577 -7.670 -2.361 128 HA ALA 18 HA ALA 18 6.574 -5.160 -1.726 129 HB1 ALA 18 HB1 ALA 18 8.217 -7.644 -2.316 130 HB2 ALA 18 HB2 ALA 18 8.704 -6.243 -1.346 131 HB3 ALA 18 HB3 ALA 18 7.407 -7.301 -0.773 132 H GLU 19 HN GLU 19 7.085 -6.914 -4.753 133 HA GLU 19 HA GLU 19 9.043 -5.305 -5.956 134 HB2 GLU 19 HB2 GLU 19 6.494 -6.533 -7.137 135 HB3 GLU 19 HB3 GLU 19 7.762 -5.747 -8.090 136 HG2 GLU 19 HG2 GLU 19 9.336 -7.593 -7.121 137 HG3 GLU 19 HG3 GLU 19 7.837 -8.437 -6.699 138 H LYS 20 HN LYS 20 5.507 -4.778 -5.954 139 HA LYS 20 HA LYS 20 5.807 -2.207 -7.391 140 HB2 LYS 20 HB2 LYS 20 3.476 -3.890 -6.400 141 HB3 LYS 20 HB3 LYS 20 3.242 -2.189 -6.790 142 HG2 LYS 20 HG2 LYS 20 2.605 -3.415 -8.680 143 HG3 LYS 20 HG3 LYS 20 4.065 -2.551 -9.082 144 HD2 LYS 20 HD2 LYS 20 4.350 -5.433 -8.212 145 HD3 LYS 20 HD3 LYS 20 3.605 -5.092 -9.775 146 HE2 LYS 20 HE2 LYS 20 5.583 -3.585 -10.303 147 HE3 LYS 20 HE3 LYS 20 6.391 -4.242 -8.889 148 HZ1 LYS 20 HZ1 LYS 20 6.204 -6.471 -9.965 149 HZ2 LYS 20 HZ2 LYS 20 7.024 -5.401 -10.879 150 HZ3 LYS 20 HZ3 LYS 20 5.486 -5.729 -11.281 151 H LEU 21 HN LEU 21 5.324 -3.384 -4.081 152 HA LEU 21 HA LEU 21 4.453 -0.856 -3.015 153 HB2 LEU 21 HB2 LEU 21 4.140 -3.356 -2.198 154 HB3 LEU 21 HB3 LEU 21 5.637 -3.064 -1.331 155 HG LEU 21 HG LEU 21 3.595 -0.926 -1.020 156 HD11 LEU 21 HD11 LEU 21 2.101 -2.085 0.444 157 HD12 LEU 21 HD12 LEU 21 3.003 -3.608 0.277 158 HD13 LEU 21 HD13 LEU 21 2.120 -2.954 -1.099 159 HD21 LEU 21 HD21 LEU 21 5.771 -1.403 0.261 160 HD22 LEU 21 HD22 LEU 21 4.773 -2.465 1.258 161 HD23 LEU 21 HD23 LEU 21 4.350 -0.735 1.098 162 H ASP 22 HN ASP 22 7.654 -2.325 -3.394 163 HA ASP 22 HA ASP 22 9.185 -0.513 -1.866 164 HB2 ASP 22 HB2 ASP 22 10.161 -2.479 -2.755 165 HB3 ASP 22 HB3 ASP 22 9.580 -2.154 -4.376 166 H GLU 23 HN GLU 23 8.029 -0.229 -5.235 167 HA GLU 23 HA GLU 23 9.326 2.175 -5.919 168 HB2 GLU 23 HB2 GLU 23 7.246 0.412 -6.940 169 HB3 GLU 23 HB3 GLU 23 6.737 2.036 -7.195 170 HG2 GLU 23 HG2 GLU 23 9.587 1.276 -7.896 171 HG3 GLU 23 HG3 GLU 23 8.285 0.793 -8.964 172 H ILE 24 HN ILE 24 6.531 1.667 -3.909 173 HA ILE 24 HA ILE 24 5.364 4.244 -4.384 174 HB ILE 24 HB ILE 24 5.033 2.334 -2.038 175 HG12 ILE 24 HG12 ILE 24 3.384 2.623 -4.601 176 HG13 ILE 24 HG13 ILE 24 4.506 1.313 -4.255 177 HG21 ILE 24 HG21 ILE 24 2.969 4.390 -2.822 178 HG22 ILE 24 HG22 ILE 24 2.951 3.246 -1.442 179 HG23 ILE 24 HG23 ILE 24 4.120 4.533 -1.471 180 HD11 ILE 24 HD11 ILE 24 2.342 0.474 -3.886 181 HD12 ILE 24 HD12 ILE 24 3.124 0.657 -2.296 182 HD13 ILE 24 HD13 ILE 24 1.908 1.814 -2.810 183 H TYR 25 HN TYR 25 8.014 3.108 -2.515 184 HA TYR 25 HA TYR 25 8.213 5.604 -0.931 185 HB2 TYR 25 HB2 TYR 25 9.869 3.079 -0.902 186 HB3 TYR 25 HB3 TYR 25 10.009 4.432 0.237 187 HD1 TYR 25 HD1 TYR 25 7.801 5.096 1.484 188 HD2 TYR 25 HD2 TYR 25 8.298 1.343 -0.542 189 HE1 TYR 25 HE1 TYR 25 5.729 4.241 2.579 190 HE2 TYR 25 HE2 TYR 25 6.280 0.499 0.548 191 HH TYR 25 HH TYR 25 4.795 1.804 3.251 192 H VAL 26 HN VAL 26 9.081 4.776 -4.049 193 HA VAL 26 HA VAL 26 11.681 6.151 -4.032 194 HB VAL 26 HB VAL 26 10.024 5.038 -6.326 195 HG11 VAL 26 HG11 VAL 26 12.124 5.251 -7.635 196 HG12 VAL 26 HG12 VAL 26 11.521 6.830 -7.126 197 HG13 VAL 26 HG13 VAL 26 12.893 6.088 -6.269 198 HG21 VAL 26 HG21 VAL 26 12.533 3.964 -4.957 199 HG22 VAL 26 HG22 VAL 26 10.913 3.282 -4.756 200 HG23 VAL 26 HG23 VAL 26 11.703 3.228 -6.338 201 H ALA 27 HN ALA 27 8.284 6.786 -5.186 202 HA ALA 27 HA ALA 27 9.320 9.047 -6.720 203 HB1 ALA 27 HB1 ALA 27 7.287 8.763 -8.015 204 HB2 ALA 27 HB2 ALA 27 8.069 7.177 -7.801 205 HB3 ALA 27 HB3 ALA 27 6.628 7.616 -6.859 206 H GLY 28 HN GLY 28 9.139 9.503 -3.989 207 HA2 GLY 28 HA1 GLY 28 8.476 11.016 -2.472 208 HA3 GLY 28 HA2 GLY 28 8.055 12.000 -3.885 209 H LEU 29 HN LEU 29 6.412 9.044 -2.937 210 HA LEU 29 HA LEU 29 3.821 10.521 -2.702 211 HB2 LEU 29 HB2 LEU 29 4.351 7.506 -2.868 212 HB3 LEU 29 HB3 LEU 29 2.794 8.264 -2.605 213 HG LEU 29 HG LEU 29 4.514 8.511 -5.098 214 HD11 LEU 29 HD11 LEU 29 1.767 7.325 -4.546 215 HD12 LEU 29 HD12 LEU 29 3.262 6.405 -4.770 216 HD13 LEU 29 HD13 LEU 29 2.580 7.372 -6.116 217 HD21 LEU 29 HD21 LEU 29 2.645 9.770 -6.130 218 HD22 LEU 29 HD22 LEU 29 3.476 10.686 -4.878 219 HD23 LEU 29 HD23 LEU 29 1.893 9.946 -4.541 220 H VAL 30 HN VAL 30 5.427 7.781 -0.989 221 HA VAL 30 HA VAL 30 4.921 9.204 1.564 222 HB VAL 30 HB VAL 30 4.255 6.933 2.558 223 HG11 VAL 30 HG11 VAL 30 2.273 8.245 0.671 224 HG12 VAL 30 HG12 VAL 30 1.915 7.255 2.111 225 HG13 VAL 30 HG13 VAL 30 2.730 8.819 2.290 226 HG21 VAL 30 HG21 VAL 30 3.188 5.299 1.144 227 HG22 VAL 30 HG22 VAL 30 3.434 6.301 -0.296 228 HG23 VAL 30 HG23 VAL 30 4.832 5.560 0.523 229 H ALA 31 HN ALA 31 6.183 8.473 3.297 230 HA ALA 31 HA ALA 31 8.609 6.834 2.802 231 HB1 ALA 31 HB1 ALA 31 7.568 8.473 5.165 232 HB2 ALA 31 HB2 ALA 31 9.092 7.573 5.149 233 HB3 ALA 31 HB3 ALA 31 8.859 8.954 4.045 234 H HIS 32 HN HIS 32 8.962 4.954 4.229 235 HA HIS 32 HA HIS 32 6.724 3.296 4.489 236 HB2 HIS 32 HB2 HIS 32 8.070 1.771 5.733 237 HB3 HIS 32 HB3 HIS 32 9.041 2.454 4.448 238 HD1 HIS 32 HD1 HIS 32 8.923 2.046 8.184 239 HD2 HIS 32 HD2 HIS 32 11.004 4.298 5.272 240 HE1 HIS 32 HE1 HIS 32 10.845 3.191 9.400 241 H SER 33 HN SER 33 7.951 5.633 6.807 242 HA SER 33 HA SER 33 6.108 4.626 8.873 243 HB2 SER 33 HB2 SER 33 8.601 5.215 9.253 244 HB3 SER 33 HB3 SER 33 8.061 6.905 9.253 245 HG SER 33 HG SER 33 8.093 5.909 11.368 246 H ASP 34 HN ASP 34 5.430 6.441 6.269 247 HA ASP 34 HA ASP 34 3.906 8.526 7.715 248 HB2 ASP 34 HB2 ASP 34 4.963 8.482 5.148 249 HB3 ASP 34 HB3 ASP 34 3.304 8.044 4.849 250 H LEU 35 HN LEU 35 3.598 5.221 6.875 251 HA LEU 35 HA LEU 35 0.677 5.146 6.889 252 HB2 LEU 35 HB2 LEU 35 2.858 3.023 6.681 253 HB3 LEU 35 HB3 LEU 35 1.138 2.724 6.580 254 HG LEU 35 HG LEU 35 1.921 2.674 4.411 255 HD11 LEU 35 HD11 LEU 35 0.672 4.388 3.238 256 HD12 LEU 35 HD12 LEU 35 0.732 5.470 4.636 257 HD13 LEU 35 HD13 LEU 35 -0.207 3.959 4.722 258 HD21 LEU 35 HD21 LEU 35 3.214 4.179 3.199 259 HD22 LEU 35 HD22 LEU 35 4.064 3.961 4.732 260 HD23 LEU 35 HD23 LEU 35 3.132 5.441 4.437 261 H ASP 36 HN ASP 36 -0.067 3.049 8.464 262 HA ASP 36 HA ASP 36 1.315 3.179 11.022 263 HB2 ASP 36 HB2 ASP 36 -0.585 3.679 12.323 264 HB3 ASP 36 HB3 ASP 36 -0.369 4.976 11.172 265 H GLU 37 HN GLU 37 -0.296 1.600 12.539 266 HA GLU 37 HA GLU 37 0.356 -0.985 11.607 267 HB2 GLU 37 HB2 GLU 37 -0.002 -0.370 13.975 268 HB3 GLU 37 HB3 GLU 37 -1.735 -0.168 13.651 269 HG2 GLU 37 HG2 GLU 37 -1.901 -2.585 13.062 270 HG3 GLU 37 HG3 GLU 37 -0.166 -2.775 13.349 271 H ARG 38 HN ARG 38 -2.642 0.914 11.115 272 HA ARG 38 HA ARG 38 -4.244 -1.371 10.311 273 HB2 ARG 38 HB2 ARG 38 -4.609 1.621 9.761 274 HB3 ARG 38 HB3 ARG 38 -5.791 0.361 9.445 275 HG2 ARG 38 HG2 ARG 38 -5.924 -0.199 11.816 276 HG3 ARG 38 HG3 ARG 38 -4.734 1.038 12.230 277 HD2 ARG 38 HD2 ARG 38 -7.264 1.731 10.688 278 HD3 ARG 38 HD3 ARG 38 -7.285 1.597 12.429 279 HE ARG 38 HE ARG 38 -5.489 3.488 10.933 280 HH11 ARG 38 HH11 ARG 38 -6.862 2.569 14.060 281 HH12 ARG 38 HH12 ARG 38 -6.599 4.133 14.726 282 HH21 ARG 38 HH21 ARG 38 -5.507 5.648 11.764 283 HH22 ARG 38 HH22 ARG 38 -5.873 5.862 13.460 284 H ALA 39 HN ALA 39 -1.745 0.472 8.747 285 HA ALA 39 HA ALA 39 -2.575 -0.307 6.031 286 HB1 ALA 39 HB1 ALA 39 0.109 0.746 7.042 287 HB2 ALA 39 HB2 ALA 39 -0.406 0.613 5.364 288 HB3 ALA 39 HB3 ALA 39 -1.209 1.781 6.447 289 H ILE 40 HN ILE 40 -0.122 -1.249 8.434 290 HA ILE 40 HA ILE 40 1.132 -3.282 6.888 291 HB ILE 40 HB ILE 40 0.879 -2.959 9.924 292 HG12 ILE 40 HG12 ILE 40 1.762 -0.913 9.206 293 HG13 ILE 40 HG13 ILE 40 3.111 -1.838 9.819 294 HG21 ILE 40 HG21 ILE 40 2.972 -4.148 10.166 295 HG22 ILE 40 HG22 ILE 40 1.759 -5.167 9.398 296 HG23 ILE 40 HG23 ILE 40 3.052 -4.447 8.422 297 HD11 ILE 40 HD11 ILE 40 3.836 -2.324 7.491 298 HD12 ILE 40 HD12 ILE 40 2.457 -1.374 6.881 299 HD13 ILE 40 HD13 ILE 40 3.733 -0.586 7.819 300 H GLU 41 HN GLU 41 -1.406 -3.535 9.433 301 HA GLU 41 HA GLU 41 -1.508 -6.371 9.282 302 HB2 GLU 41 HB2 GLU 41 -2.171 -4.876 11.203 303 HB3 GLU 41 HB3 GLU 41 -3.643 -4.454 10.318 304 HG2 GLU 41 HG2 GLU 41 -4.371 -6.802 10.362 305 HG3 GLU 41 HG3 GLU 41 -2.823 -7.302 11.067 306 H ALA 42 HN ALA 42 -3.523 -3.789 7.765 307 HA ALA 42 HA ALA 42 -5.348 -5.537 6.441 308 HB1 ALA 42 HB1 ALA 42 -5.790 -3.583 4.989 309 HB2 ALA 42 HB2 ALA 42 -5.723 -3.101 6.696 310 HB3 ALA 42 HB3 ALA 42 -4.324 -2.795 5.616 311 H LEU 43 HN LEU 43 -2.113 -4.283 5.456 312 HA LEU 43 HA LEU 43 -2.195 -5.118 2.796 313 HB2 LEU 43 HB2 LEU 43 -0.026 -4.628 4.805 314 HB3 LEU 43 HB3 LEU 43 0.432 -5.560 3.407 315 HG LEU 43 HG LEU 43 -0.875 -2.848 3.305 316 HD11 LEU 43 HD11 LEU 43 1.369 -2.017 2.680 317 HD12 LEU 43 HD12 LEU 43 2.032 -3.646 2.908 318 HD13 LEU 43 HD13 LEU 43 1.355 -2.748 4.283 319 HD21 LEU 43 HD21 LEU 43 0.413 -4.472 1.060 320 HD22 LEU 43 HD22 LEU 43 -0.175 -2.812 0.904 321 HD23 LEU 43 HD23 LEU 43 -1.318 -4.118 1.181 322 H LYS 44 HN LYS 44 -1.306 -7.089 5.679 323 HA LYS 44 HA LYS 44 -0.692 -9.381 4.012 324 HB2 LYS 44 HB2 LYS 44 -0.930 -8.949 6.967 325 HB3 LYS 44 HB3 LYS 44 -1.330 -10.551 6.372 326 HG2 LYS 44 HG2 LYS 44 0.843 -11.022 6.465 327 HG3 LYS 44 HG3 LYS 44 0.963 -10.187 4.947 328 HD2 LYS 44 HD2 LYS 44 2.543 -8.965 5.936 329 HD3 LYS 44 HD3 LYS 44 1.269 -8.060 6.693 330 HE2 LYS 44 HE2 LYS 44 1.279 -9.781 8.596 331 HE3 LYS 44 HE3 LYS 44 2.734 -10.463 7.864 332 HZ1 LYS 44 HZ1 LYS 44 3.564 -9.038 9.398 333 HZ2 LYS 44 HZ2 LYS 44 2.356 -7.920 9.213 334 HZ3 LYS 44 HZ3 LYS 44 3.600 -8.046 8.102 335 H GLU 45 HN GLU 45 -3.753 -7.976 4.962 336 HA GLU 45 HA GLU 45 -5.232 -10.487 4.570 337 HB2 GLU 45 HB2 GLU 45 -6.114 -7.651 5.104 338 HB3 GLU 45 HB3 GLU 45 -7.203 -9.007 4.921 339 HG2 GLU 45 HG2 GLU 45 -5.395 -9.807 6.945 340 HG3 GLU 45 HG3 GLU 45 -5.843 -8.124 7.309 341 H PHE 46 HN PHE 46 -3.733 -9.879 2.210 342 HA PHE 46 HA PHE 46 -6.036 -9.617 0.430 343 HB2 PHE 46 HB2 PHE 46 -3.515 -7.953 0.100 344 HB3 PHE 46 HB3 PHE 46 -4.618 -8.315 -1.217 345 HD1 PHE 46 HD1 PHE 46 -7.097 -7.646 -1.005 346 HD2 PHE 46 HD2 PHE 46 -4.002 -6.101 1.559 347 HE1 PHE 46 HE1 PHE 46 -8.565 -5.760 -0.375 348 HE2 PHE 46 HE2 PHE 46 -5.459 -4.215 2.185 349 HZ PHE 46 HZ PHE 46 -7.760 -4.026 1.216 350 H ASN 47 HN ASN 47 -5.611 -10.667 -1.670 351 HA ASN 47 HA ASN 47 -3.455 -12.697 -1.643 352 HB2 ASN 47 HB2 ASN 47 -4.491 -13.661 -3.553 353 HB3 ASN 47 HB3 ASN 47 -5.781 -13.328 -2.430 354 HD21 ASN 47 HD21 ASN 47 -5.423 -13.403 -5.642 355 HD22 ASN 47 HD22 ASN 47 -6.490 -12.049 -6.003 356 H GLU 48 HN GLU 48 -2.556 -12.924 -3.966 357 HA GLU 48 HA GLU 48 -0.753 -10.969 -4.497 358 HB2 GLU 48 HB2 GLU 48 -1.045 -13.454 -5.291 359 HB3 GLU 48 HB3 GLU 48 -1.850 -12.762 -6.705 360 HG2 GLU 48 HG2 GLU 48 0.194 -11.315 -7.031 361 HG3 GLU 48 HG3 GLU 48 0.911 -12.146 -5.632 362 H ASP 49 HN ASP 49 -3.829 -11.441 -6.388 363 HA ASP 49 HA ASP 49 -3.162 -9.090 -7.966 364 HB2 ASP 49 HB2 ASP 49 -4.320 -11.201 -8.804 365 HB3 ASP 49 HB3 ASP 49 -5.785 -10.572 -8.041 366 H GLY 50 HN GLY 50 -5.375 -9.800 -5.219 367 HA2 GLY 50 HA1 GLY 50 -6.910 -7.391 -5.479 368 HA3 GLY 50 HA2 GLY 50 -6.778 -8.436 -4.049 369 H ALA 51 HN ALA 51 -3.977 -8.297 -3.645 370 HA ALA 51 HA ALA 51 -3.395 -5.877 -2.252 371 HB1 ALA 51 HB1 ALA 51 -1.597 -7.940 -3.586 372 HB2 ALA 51 HB2 ALA 51 -1.081 -6.666 -2.470 373 HB3 ALA 51 HB3 ALA 51 -2.161 -7.951 -1.903 374 H LEU 52 HN LEU 52 -2.560 -6.967 -5.635 375 HA LEU 52 HA LEU 52 -1.132 -4.554 -6.228 376 HB2 LEU 52 HB2 LEU 52 -2.336 -6.708 -7.987 377 HB3 LEU 52 HB3 LEU 52 -1.551 -5.290 -8.681 378 HG LEU 52 HG LEU 52 -0.159 -7.012 -6.622 379 HD11 LEU 52 HD11 LEU 52 0.989 -8.164 -8.482 380 HD12 LEU 52 HD12 LEU 52 -0.065 -7.286 -9.641 381 HD13 LEU 52 HD13 LEU 52 -0.763 -8.465 -8.505 382 HD21 LEU 52 HD21 LEU 52 0.868 -4.801 -7.004 383 HD22 LEU 52 HD22 LEU 52 0.937 -5.134 -8.743 384 HD23 LEU 52 HD23 LEU 52 1.905 -6.097 -7.599 385 H ALA 53 HN ALA 53 -4.588 -5.402 -6.676 386 HA ALA 53 HA ALA 53 -5.299 -3.089 -8.120 387 HB1 ALA 53 HB1 ALA 53 -7.017 -4.443 -6.007 388 HB2 ALA 53 HB2 ALA 53 -7.542 -3.516 -7.430 389 HB3 ALA 53 HB3 ALA 53 -6.761 -5.086 -7.649 390 H VAL 54 HN VAL 54 -5.100 -3.505 -4.535 391 HA VAL 54 HA VAL 54 -5.736 -0.842 -3.806 392 HB VAL 54 HB VAL 54 -3.791 -2.808 -2.526 393 HG11 VAL 54 HG11 VAL 54 -3.302 -0.547 -1.688 394 HG12 VAL 54 HG12 VAL 54 -5.011 -0.344 -1.257 395 HG13 VAL 54 HG13 VAL 54 -4.006 -1.591 -0.463 396 HG21 VAL 54 HG21 VAL 54 -6.185 -3.600 -2.623 397 HG22 VAL 54 HG22 VAL 54 -5.544 -3.388 -0.994 398 HG23 VAL 54 HG23 VAL 54 -6.631 -2.170 -1.674 399 H LEU 55 HN LEU 55 -2.716 -2.179 -5.122 400 HA LEU 55 HA LEU 55 -1.190 0.222 -4.320 401 HB2 LEU 55 HB2 LEU 55 -0.264 -2.109 -6.040 402 HB3 LEU 55 HB3 LEU 55 0.724 -0.795 -5.412 403 HG LEU 55 HG LEU 55 -0.525 -3.074 -3.885 404 HD11 LEU 55 HD11 LEU 55 1.625 -3.425 -4.995 405 HD12 LEU 55 HD12 LEU 55 1.777 -3.520 -3.248 406 HD13 LEU 55 HD13 LEU 55 2.323 -2.060 -4.098 407 HD21 LEU 55 HD21 LEU 55 -0.976 -1.087 -2.499 408 HD22 LEU 55 HD22 LEU 55 0.729 -0.620 -2.607 409 HD23 LEU 55 HD23 LEU 55 0.250 -2.112 -1.776 410 H GLN 56 HN GLN 56 -2.698 -1.127 -7.239 411 HA GLN 56 HA GLN 56 -1.803 0.867 -9.087 412 HB2 GLN 56 HB2 GLN 56 -2.951 -1.121 -9.842 413 HB3 GLN 56 HB3 GLN 56 -4.357 -0.782 -8.845 414 HG2 GLN 56 HG2 GLN 56 -4.929 1.179 -10.197 415 HG3 GLN 56 HG3 GLN 56 -3.462 0.963 -11.158 416 HE21 GLN 56 HE21 GLN 56 -6.833 0.001 -10.842 417 HE22 GLN 56 HE22 GLN 56 -6.755 -1.364 -11.903 418 H GLN 57 HN GLN 57 -4.765 0.694 -7.028 419 HA GLN 57 HA GLN 57 -5.524 3.291 -7.958 420 HB2 GLN 57 HB2 GLN 57 -6.857 1.202 -7.051 421 HB3 GLN 57 HB3 GLN 57 -6.747 2.037 -5.507 422 HG2 GLN 57 HG2 GLN 57 -7.871 4.007 -6.499 423 HG3 GLN 57 HG3 GLN 57 -7.849 3.246 -8.085 424 HE21 GLN 57 HE21 GLN 57 -9.091 2.530 -4.702 425 HE22 GLN 57 HE22 GLN 57 -10.470 1.629 -5.297 426 H PHE 58 HN PHE 58 -3.401 2.486 -5.469 427 HA PHE 58 HA PHE 58 -3.747 5.000 -3.970 428 HB2 PHE 58 HB2 PHE 58 -3.116 2.939 -2.811 429 HB3 PHE 58 HB3 PHE 58 -1.642 2.823 -3.746 430 HD1 PHE 58 HD1 PHE 58 -3.396 5.550 -1.777 431 HD2 PHE 58 HD2 PHE 58 0.250 3.332 -2.412 432 HE1 PHE 58 HE1 PHE 58 -2.273 6.902 -0.052 433 HE2 PHE 58 HE2 PHE 58 1.337 4.634 -0.593 434 HZ PHE 58 HZ PHE 58 0.078 6.412 0.590 435 H LYS 59 HN LYS 59 -0.996 3.637 -5.932 436 HA LYS 59 HA LYS 59 0.328 6.181 -6.093 437 HB2 LYS 59 HB2 LYS 59 1.662 4.221 -6.303 438 HB3 LYS 59 HB3 LYS 59 0.701 3.605 -7.654 439 HG2 LYS 59 HG2 LYS 59 1.609 5.125 -9.184 440 HG3 LYS 59 HG3 LYS 59 2.137 6.251 -7.950 441 HD2 LYS 59 HD2 LYS 59 3.449 3.541 -8.435 442 HD3 LYS 59 HD3 LYS 59 3.965 5.080 -9.121 443 HE2 LYS 59 HE2 LYS 59 3.981 5.875 -6.584 444 HE3 LYS 59 HE3 LYS 59 4.145 4.153 -6.245 445 HZ1 LYS 59 HZ1 LYS 59 6.221 4.218 -7.603 446 HZ2 LYS 59 HZ2 LYS 59 6.267 5.339 -6.417 447 HZ3 LYS 59 HZ3 LYS 59 5.949 5.747 -7.983 448 H ASP 60 HN ASP 60 -2.190 4.666 -8.087 449 HA ASP 60 HA ASP 60 -2.176 6.872 -10.001 450 HB2 ASP 60 HB2 ASP 60 -2.752 4.564 -10.683 451 HB3 ASP 60 HB3 ASP 60 -4.155 4.608 -9.604 452 H SER 61 HN SER 61 -2.182 8.140 -7.770 453 HA SER 61 HA SER 61 -4.533 9.678 -8.028 454 HB2 SER 61 HB2 SER 61 -3.890 8.530 -5.290 455 HB3 SER 61 HB3 SER 61 -4.963 9.908 -5.550 456 HG SER 61 HG SER 61 -5.438 7.563 -6.992 457 H ASP 62 HN ASP 62 -4.087 11.683 -6.382 458 HA ASP 62 HA ASP 62 -1.290 12.544 -6.861 459 HB2 ASP 62 HB2 ASP 62 -2.757 13.706 -8.366 460 HB3 ASP 62 HB3 ASP 62 -3.968 13.971 -7.102 461 H LEU 63 HN LEU 63 -0.353 12.419 -4.946 462 HA LEU 63 HA LEU 63 -1.864 13.014 -2.469 463 HB2 LEU 63 HB2 LEU 63 0.824 11.688 -2.955 464 HB3 LEU 63 HB3 LEU 63 0.160 12.010 -1.355 465 HG LEU 63 HG LEU 63 -1.208 10.292 -3.474 466 HD11 LEU 63 HD11 LEU 63 -0.625 8.400 -2.064 467 HD12 LEU 63 HD12 LEU 63 0.287 9.465 -0.951 468 HD13 LEU 63 HD13 LEU 63 0.801 9.243 -2.646 469 HD21 LEU 63 HD21 LEU 63 -1.996 11.033 -0.638 470 HD22 LEU 63 HD22 LEU 63 -2.581 9.560 -1.429 471 HD23 LEU 63 HD23 LEU 63 -2.952 11.109 -2.152 472 H SER 64 HN SER 64 -0.387 14.931 -4.599 473 HA SER 64 HA SER 64 1.201 16.695 -3.065 474 HB2 SER 64 HB2 SER 64 -0.878 17.396 -5.165 475 HB3 SER 64 HB3 SER 64 0.543 18.351 -4.703 476 HG SER 64 HG SER 64 0.267 16.104 -6.300 477 H HIS 65 HN HIS 65 0.678 17.963 -1.412 478 HA HIS 65 HA HIS 65 -0.387 18.961 0.283 479 HB2 HIS 65 HB2 HIS 65 -2.568 19.571 -1.707 480 HB3 HIS 65 HB3 HIS 65 -2.035 20.537 -0.336 481 HD1 HIS 65 HD1 HIS 65 -1.462 20.136 -3.982 482 HD2 HIS 65 HD2 HIS 65 0.421 21.816 -0.616 483 HE1 HIS 65 HE1 HIS 65 0.368 21.680 -4.878 484 H VAL 66 HN VAL 66 -1.517 16.024 -0.449 485 HA VAL 66 HA VAL 66 -4.040 16.012 1.021 486 HB VAL 66 HB VAL 66 -2.044 13.851 0.192 487 HG11 VAL 66 HG11 VAL 66 -3.094 13.074 2.323 488 HG12 VAL 66 HG12 VAL 66 -4.698 13.375 1.626 489 HG13 VAL 66 HG13 VAL 66 -3.624 12.138 0.934 490 HG21 VAL 66 HG21 VAL 66 -4.924 14.433 -0.594 491 HG22 VAL 66 HG22 VAL 66 -3.495 14.820 -1.583 492 HG23 VAL 66 HG23 VAL 66 -3.920 13.129 -1.254 493 H GLN 67 HN GLN 67 -4.259 15.952 3.179 494 HA GLN 67 HA GLN 67 -2.362 16.668 5.044 495 HB2 GLN 67 HB2 GLN 67 -4.898 15.011 5.425 496 HB3 GLN 67 HB3 GLN 67 -4.023 15.834 6.720 497 HG2 GLN 67 HG2 GLN 67 -4.592 17.984 5.843 498 HG3 GLN 67 HG3 GLN 67 -5.235 17.307 4.343 499 HE21 GLN 67 HE21 GLN 67 -7.302 15.998 4.452 500 HE22 GLN 67 HE22 GLN 67 -8.338 16.243 5.848 501 H ASN 68 HN ASN 68 -3.823 13.440 5.333 502 HA ASN 68 HA ASN 68 -1.243 12.508 6.495 503 HB2 ASN 68 HB2 ASN 68 -3.289 11.024 7.756 504 HB3 ASN 68 HB3 ASN 68 -2.186 12.187 8.437 505 HD21 ASN 68 HD21 ASN 68 -5.491 11.960 6.880 506 HD22 ASN 68 HD22 ASN 68 -6.087 13.230 7.891 507 H LYS 69 HN LYS 69 -0.415 11.224 5.072 508 HA LYS 69 HA LYS 69 -1.879 10.074 2.897 509 HB2 LYS 69 HB2 LYS 69 0.920 9.259 3.820 510 HB3 LYS 69 HB3 LYS 69 0.219 9.179 2.196 511 HG2 LYS 69 HG2 LYS 69 1.070 11.661 3.736 512 HG3 LYS 69 HG3 LYS 69 1.786 10.992 2.268 513 HD2 LYS 69 HD2 LYS 69 -0.466 11.470 1.151 514 HD3 LYS 69 HD3 LYS 69 -0.871 12.439 2.575 515 HE2 LYS 69 HE2 LYS 69 1.603 12.864 0.838 516 HE3 LYS 69 HE3 LYS 69 0.097 13.776 0.678 517 HZ1 LYS 69 HZ1 LYS 69 1.696 14.964 1.943 518 HZ2 LYS 69 HZ2 LYS 69 1.827 13.789 3.080 519 HZ3 LYS 69 HZ3 LYS 69 0.406 14.643 2.891 520 H SER 70 HN SER 70 -1.003 8.832 6.018 521 HA SER 70 HA SER 70 -1.303 6.035 5.709 522 HB2 SER 70 HB2 SER 70 -2.418 6.862 8.228 523 HB3 SER 70 HB3 SER 70 -0.876 6.094 7.918 524 HG SER 70 HG SER 70 0.115 8.035 7.797 525 H ALA 71 HN ALA 71 -3.690 8.626 6.488 526 HA ALA 71 HA ALA 71 -5.845 6.711 6.643 527 HB1 ALA 71 HB1 ALA 71 -5.772 8.793 8.020 528 HB2 ALA 71 HB2 ALA 71 -5.800 9.766 6.538 529 HB3 ALA 71 HB3 ALA 71 -7.209 8.775 6.981 530 H PHE 72 HN PHE 72 -4.410 8.554 4.037 531 HA PHE 72 HA PHE 72 -6.716 8.309 2.244 532 HB2 PHE 72 HB2 PHE 72 -4.763 9.918 1.927 533 HB3 PHE 72 HB3 PHE 72 -3.790 8.550 1.420 534 HD1 PHE 72 HD1 PHE 72 -5.167 6.994 -0.516 535 HD2 PHE 72 HD2 PHE 72 -5.634 11.235 0.203 536 HE1 PHE 72 HE1 PHE 72 -6.089 7.282 -2.771 537 HE2 PHE 72 HE2 PHE 72 -6.423 11.521 -2.111 538 HZ PHE 72 HZ PHE 72 -6.683 9.554 -3.604 539 H LEU 73 HN LEU 73 -3.642 6.583 2.734 540 HA LEU 73 HA LEU 73 -3.927 4.557 0.794 541 HB2 LEU 73 HB2 LEU 73 -1.828 5.098 1.875 542 HB3 LEU 73 HB3 LEU 73 -2.422 4.713 3.437 543 HG LEU 73 HG LEU 73 -0.861 3.017 2.239 544 HD11 LEU 73 HD11 LEU 73 -2.120 2.774 4.376 545 HD12 LEU 73 HD12 LEU 73 -1.443 1.400 3.544 546 HD13 LEU 73 HD13 LEU 73 -3.205 1.714 3.458 547 HD21 LEU 73 HD21 LEU 73 -2.119 3.014 0.091 548 HD22 LEU 73 HD22 LEU 73 -3.284 1.936 0.869 549 HD23 LEU 73 HD23 LEU 73 -1.579 1.473 0.731 550 H CYS 74 HN CYS 74 -4.529 4.431 4.279 551 HA CYS 74 HA CYS 74 -5.501 1.811 4.274 552 HB2 CYS 74 HB2 CYS 74 -4.788 3.059 6.298 553 HB3 CYS 74 HB3 CYS 74 -6.246 4.065 6.211 554 HG CYS 74 HG CYS 74 -6.171 0.767 6.338 555 H GLY 75 HN GLY 75 -7.150 4.797 3.328 556 HA2 GLY 75 HA1 GLY 75 -9.886 3.887 3.435 557 HA3 GLY 75 HA2 GLY 75 -9.219 5.192 2.437 558 H VAL 76 HN VAL 76 -7.357 3.903 0.851 559 HA VAL 76 HA VAL 76 -8.851 2.718 -1.195 560 HB VAL 76 HB VAL 76 -5.887 2.188 -0.724 561 HG11 VAL 76 HG11 VAL 76 -7.521 2.521 -3.264 562 HG12 VAL 76 HG12 VAL 76 -5.778 2.193 -3.173 563 HG13 VAL 76 HG13 VAL 76 -6.929 0.983 -2.601 564 HG21 VAL 76 HG21 VAL 76 -5.530 4.295 -2.126 565 HG22 VAL 76 HG22 VAL 76 -7.205 4.730 -1.738 566 HG23 VAL 76 HG23 VAL 76 -6.000 4.550 -0.449 567 H MET 77 HN MET 77 -6.754 1.132 1.263 568 HA MET 77 HA MET 77 -7.194 -1.543 0.473 569 HB2 MET 77 HB2 MET 77 -6.830 -0.589 3.343 570 HB3 MET 77 HB3 MET 77 -6.519 -2.200 2.705 571 HG2 MET 77 HG2 MET 77 -4.996 -0.442 1.083 572 HG3 MET 77 HG3 MET 77 -4.862 0.180 2.704 573 HE1 MET 77 HE1 MET 77 -2.067 -0.739 3.588 574 HE2 MET 77 HE2 MET 77 -1.548 -1.296 1.978 575 HE3 MET 77 HE3 MET 77 -2.600 0.100 2.115 576 H LYS 78 HN LYS 78 -8.963 0.398 2.881 577 HA LYS 78 HA LYS 78 -10.717 -1.618 3.782 578 HB2 LYS 78 HB2 LYS 78 -10.954 1.414 3.670 579 HB3 LYS 78 HB3 LYS 78 -12.349 0.426 4.083 580 HG2 LYS 78 HG2 LYS 78 -10.852 -0.742 5.811 581 HG3 LYS 78 HG3 LYS 78 -9.747 0.627 5.617 582 HD2 LYS 78 HD2 LYS 78 -11.626 2.170 6.186 583 HD3 LYS 78 HD3 LYS 78 -12.720 0.783 6.325 584 HE2 LYS 78 HE2 LYS 78 -11.431 -0.145 8.177 585 HE3 LYS 78 HE3 LYS 78 -10.242 1.163 8.045 586 HZ1 LYS 78 HZ1 LYS 78 -11.922 1.592 9.766 587 HZ2 LYS 78 HZ2 LYS 78 -13.112 1.530 8.674 588 HZ3 LYS 78 HZ3 LYS 78 -11.997 2.736 8.574 589 H THR 79 HN THR 79 -11.190 0.762 1.182 590 HA THR 79 HA THR 79 -13.729 -0.056 0.355 591 HB THR 79 HB THR 79 -11.511 0.899 -1.522 592 HG1 THR 79 HG1 THR 79 -11.536 2.284 0.300 593 HG21 THR 79 HG21 THR 79 -13.337 2.039 -2.693 594 HG22 THR 79 HG22 THR 79 -14.504 1.461 -1.477 595 HG23 THR 79 HG23 THR 79 -13.693 0.311 -2.564 596 H TYR 80 HN TYR 80 -10.495 -1.303 -0.807 597 HA TYR 80 HA TYR 80 -11.700 -3.111 -2.647 598 HB2 TYR 80 HB2 TYR 80 -8.973 -2.936 -1.367 599 HB3 TYR 80 HB3 TYR 80 -9.421 -4.365 -2.288 600 HD1 TYR 80 HD2 TYR 80 -10.431 -4.074 -4.644 601 HD2 TYR 80 HD1 TYR 80 -8.287 -0.961 -2.566 602 HE1 TYR 80 HE2 TYR 80 -9.986 -2.981 -6.799 603 HE2 TYR 80 HE1 TYR 80 -7.742 0.098 -4.769 604 HH TYR 80 HH TYR 80 -9.114 -1.059 -7.823 605 H ARG 81 HN ARG 81 -10.737 -3.626 0.808 606 HA ARG 81 HA ARG 81 -11.490 -6.441 0.687 607 HB2 ARG 81 HB2 ARG 81 -9.934 -5.133 2.438 608 HB3 ARG 81 HB3 ARG 81 -11.470 -4.972 3.297 609 HG2 ARG 81 HG2 ARG 81 -11.552 -7.648 2.671 610 HG3 ARG 81 HG3 ARG 81 -9.812 -7.406 2.684 611 HD2 ARG 81 HD2 ARG 81 -10.199 -6.274 5.000 612 HD3 ARG 81 HD3 ARG 81 -11.805 -7.005 4.950 613 HE ARG 81 HE ARG 81 -9.406 -8.227 5.756 614 HH11 ARG 81 HH11 ARG 81 -12.366 -9.156 3.987 615 HH12 ARG 81 HH12 ARG 81 -12.163 -10.825 4.342 616 HH21 ARG 81 HH21 ARG 81 -9.296 -10.374 6.340 617 HH22 ARG 81 HH22 ARG 81 -10.348 -11.552 5.597 618 H GLN 82 HN GLN 82 -13.306 -3.489 1.031 619 HA GLN 82 HA GLN 82 -15.764 -5.088 1.562 620 HB2 GLN 82 HB2 GLN 82 -14.622 -2.879 3.153 621 HB3 GLN 82 HB3 GLN 82 -16.257 -2.574 2.637 622 HG2 GLN 82 HG2 GLN 82 -15.341 -5.096 4.091 623 HG3 GLN 82 HG3 GLN 82 -16.138 -3.715 4.846 624 HE21 GLN 82 HE21 GLN 82 -16.842 -6.783 3.852 625 HE22 GLN 82 HE22 GLN 82 -18.503 -6.558 3.348 626 H ARG 83 HN ARG 83 -15.367 -5.050 -0.745 627 HA ARG 83 HA ARG 83 -16.464 -2.623 -2.042 628 HB2 ARG 83 HB2 ARG 83 -15.621 -3.353 -4.116 629 HB3 ARG 83 HB3 ARG 83 -14.355 -3.516 -2.914 630 HG2 ARG 83 HG2 ARG 83 -14.921 -6.015 -2.802 631 HG3 ARG 83 HG3 ARG 83 -15.987 -5.720 -4.194 632 HD2 ARG 83 HD2 ARG 83 -13.798 -4.537 -5.175 633 HD3 ARG 83 HD3 ARG 83 -12.971 -5.546 -4.001 634 HE ARG 83 HE ARG 83 -13.524 -7.459 -5.169 635 HH11 ARG 83 HH11 ARG 83 -14.589 -4.649 -6.910 636 HH12 ARG 83 HH12 ARG 83 -15.547 -5.446 -8.111 637 HH21 ARG 83 HH21 ARG 83 -14.291 -8.641 -7.038 638 HH22 ARG 83 HH22 ARG 83 -15.176 -7.823 -8.281 639 H GLU 84 HN GLU 84 -17.922 -5.004 -0.588 640 HA GLU 84 HA GLU 84 -19.926 -5.737 -2.633 641 HB2 GLU 84 HB2 GLU 84 -20.843 -7.227 -0.978 642 HB3 GLU 84 HB3 GLU 84 -19.121 -7.483 -1.175 643 HG2 GLU 84 HG2 GLU 84 -18.690 -6.200 0.919 644 HG3 GLU 84 HG3 GLU 84 -20.429 -5.994 1.146 645 H LYS 85 HN LYS 85 -19.558 -2.952 -1.737 646 HA LYS 85 HA LYS 85 -20.744 -1.124 -1.401 647 HB2 LYS 85 HB2 LYS 85 -22.814 -2.320 -2.383 648 HB3 LYS 85 HB3 LYS 85 -23.287 -2.595 -0.706 649 HG2 LYS 85 HG2 LYS 85 -24.377 -0.622 -1.520 650 HG3 LYS 85 HG3 LYS 85 -23.179 -0.139 -0.320 651 HD2 LYS 85 HD2 LYS 85 -22.480 1.375 -1.822 652 HD3 LYS 85 HD3 LYS 85 -21.728 0.061 -2.709 653 HE2 LYS 85 HE2 LYS 85 -23.633 -0.201 -4.157 654 HE3 LYS 85 HE3 LYS 85 -24.550 1.014 -3.242 655 HZ1 LYS 85 HZ1 LYS 85 -23.418 1.868 -5.280 656 HZ2 LYS 85 HZ2 LYS 85 -21.979 1.576 -4.595 657 HZ3 LYS 85 HZ3 LYS 85 -22.985 2.670 -3.890 Start of MODEL 13 1 H1 GLY 1 HN GLY 1 15.489 -0.049 -8.611 2 HA2 GLY 1 HA1 GLY 1 13.664 0.230 -6.968 3 HA3 GLY 1 HA2 GLY 1 14.092 -1.385 -6.370 4 H SER 2 HN SER 2 14.168 0.278 -4.404 5 HA SER 2 HA SER 2 17.012 1.067 -4.072 6 HB2 SER 2 HB2 SER 2 14.989 2.940 -2.993 7 HB3 SER 2 HB3 SER 2 16.572 3.254 -3.701 8 HG SER 2 HG SER 2 15.594 2.961 -5.788 9 H GLU 3 HN GLU 3 16.717 2.180 -1.462 10 HA GLU 3 HA GLU 3 16.807 -0.341 -0.098 11 HB2 GLU 3 HB2 GLU 3 17.721 0.766 1.660 12 HB3 GLU 3 HB3 GLU 3 18.412 1.463 0.192 13 HG2 GLU 3 HG2 GLU 3 17.784 3.546 0.761 14 HG3 GLU 3 HG3 GLU 3 16.128 3.057 1.094 15 H ASN 4 HN ASN 4 14.219 0.614 -0.989 16 HA ASN 4 HA ASN 4 12.602 0.570 1.518 17 HB2 ASN 4 HB2 ASN 4 10.962 0.878 -0.851 18 HB3 ASN 4 HB3 ASN 4 11.147 1.916 0.544 19 HD21 ASN 4 HD21 ASN 4 12.153 1.349 -2.805 20 HD22 ASN 4 HD22 ASN 4 12.871 2.934 -2.979 21 H PHE 5 HN PHE 5 13.263 -1.143 -1.515 22 HA PHE 5 HA PHE 5 11.099 -2.839 -1.674 23 HB2 PHE 5 HB2 PHE 5 12.769 -2.671 -3.418 24 HB3 PHE 5 HB3 PHE 5 14.002 -3.358 -2.395 25 HD1 PHE 5 HD2 PHE 5 10.572 -4.317 -3.773 26 HD2 PHE 5 HD1 PHE 5 14.550 -5.611 -2.667 27 HE1 PHE 5 HE2 PHE 5 10.116 -6.552 -4.699 28 HE2 PHE 5 HE1 PHE 5 14.064 -7.851 -3.564 29 HZ PHE 5 HZ PHE 5 11.835 -8.323 -4.610 30 H GLN 6 HN GLN 6 14.189 -3.787 -0.108 31 HA GLN 6 HA GLN 6 13.345 -6.321 0.738 32 HB2 GLN 6 HB2 GLN 6 15.691 -5.455 0.575 33 HB3 GLN 6 HB3 GLN 6 15.432 -4.527 2.043 34 HG2 GLN 6 HG2 GLN 6 16.649 -6.544 2.556 35 HG3 GLN 6 HG3 GLN 6 15.052 -6.625 3.318 36 HE21 GLN 6 HE21 GLN 6 13.865 -8.494 2.884 37 HE22 GLN 6 HE22 GLN 6 14.204 -9.638 1.591 38 H THR 7 HN THR 7 12.779 -3.169 2.256 39 HA THR 7 HA THR 7 12.176 -4.018 4.865 40 HB THR 7 HB THR 7 10.826 -1.742 3.363 41 HG1 THR 7 HG1 THR 7 12.709 -0.534 4.053 42 HG21 THR 7 HG21 THR 7 11.868 -1.918 6.211 43 HG22 THR 7 HG22 THR 7 10.164 -2.112 5.721 44 HG23 THR 7 HG23 THR 7 10.981 -0.559 5.482 45 H LEU 8 HN LEU 8 10.186 -3.908 1.857 46 HA LEU 8 HA LEU 8 7.727 -4.635 3.208 47 HB2 LEU 8 HB2 LEU 8 8.573 -5.033 0.298 48 HB3 LEU 8 HB3 LEU 8 7.016 -5.444 0.960 49 HG LEU 8 HG LEU 8 6.570 -3.492 -0.070 50 HD11 LEU 8 HD11 LEU 8 5.789 -3.340 2.297 51 HD12 LEU 8 HD12 LEU 8 6.121 -1.743 1.613 52 HD13 LEU 8 HD13 LEU 8 7.282 -2.465 2.716 53 HD21 LEU 8 HD21 LEU 8 8.927 -2.940 -0.620 54 HD22 LEU 8 HD22 LEU 8 9.050 -2.179 0.979 55 HD23 LEU 8 HD23 LEU 8 7.939 -1.527 -0.234 56 H LEU 9 HN LEU 9 10.401 -6.490 1.751 57 HA LEU 9 HA LEU 9 9.000 -9.027 1.880 58 HB2 LEU 9 HB2 LEU 9 11.931 -8.270 1.667 59 HB3 LEU 9 HB3 LEU 9 11.430 -9.930 1.866 60 HG LEU 9 HG LEU 9 11.858 -9.658 -0.402 61 HD11 LEU 9 HD11 LEU 9 8.847 -9.391 -0.383 62 HD12 LEU 9 HD12 LEU 9 9.670 -10.840 0.214 63 HD13 LEU 9 HD13 LEU 9 9.908 -10.348 -1.458 64 HD21 LEU 9 HD21 LEU 9 10.793 -7.988 -1.871 65 HD22 LEU 9 HD22 LEU 9 11.876 -7.276 -0.677 66 HD23 LEU 9 HD23 LEU 9 10.124 -7.176 -0.444 67 H ASP 10 HN ASP 10 10.519 -7.009 4.268 68 HA ASP 10 HA ASP 10 10.626 -9.223 6.247 69 HB2 ASP 10 HB2 ASP 10 12.483 -7.492 5.862 70 HB3 ASP 10 HB3 ASP 10 11.447 -6.357 6.703 71 H ALA 11 HN ALA 11 8.329 -7.097 5.060 72 HA ALA 11 HA ALA 11 7.130 -6.270 7.604 73 HB1 ALA 11 HB1 ALA 11 5.643 -4.971 6.208 74 HB2 ALA 11 HB2 ALA 11 7.286 -4.787 5.563 75 HB3 ALA 11 HB3 ALA 11 6.142 -5.882 4.765 76 H GLY 12 HN GLY 12 7.164 -9.277 6.594 77 HA2 GLY 12 HA1 GLY 12 5.608 -10.942 7.038 78 HA3 GLY 12 HA2 GLY 12 4.358 -9.775 7.248 79 H LEU 13 HN LEU 13 6.131 -9.403 4.266 80 HA LEU 13 HA LEU 13 3.599 -10.158 2.901 81 HB2 LEU 13 HB2 LEU 13 5.708 -8.121 2.171 82 HB3 LEU 13 HB3 LEU 13 4.178 -8.338 1.368 83 HG LEU 13 HG LEU 13 4.354 -7.442 4.234 84 HD11 LEU 13 HD11 LEU 13 3.834 -5.757 1.748 85 HD12 LEU 13 HD12 LEU 13 5.388 -5.837 2.579 86 HD13 LEU 13 HD13 LEU 13 3.999 -5.210 3.448 87 HD21 LEU 13 HD21 LEU 13 2.228 -8.580 3.533 88 HD22 LEU 13 HD22 LEU 13 2.084 -7.420 2.194 89 HD23 LEU 13 HD23 LEU 13 2.009 -6.879 3.893 90 HA PRO 14 HA PRO 14 5.703 -12.635 -0.167 91 HB2 PRO 14 HB2 PRO 14 4.250 -12.029 -2.436 92 HB3 PRO 14 HB3 PRO 14 3.607 -13.081 -1.121 93 HG2 PRO 14 HG2 PRO 14 3.162 -10.138 -1.625 94 HG3 PRO 14 HG3 PRO 14 1.932 -11.372 -1.215 95 HD2 PRO 14 HD2 PRO 14 2.930 -9.708 0.619 96 HD3 PRO 14 HD3 PRO 14 2.575 -11.388 1.016 97 H GLN 15 HN GLN 15 6.721 -12.389 -2.467 98 HA GLN 15 HA GLN 15 8.170 -9.889 -2.657 99 HB2 GLN 15 HB2 GLN 15 9.207 -12.025 -3.282 100 HB3 GLN 15 HB3 GLN 15 8.006 -12.265 -4.561 101 HG2 GLN 15 HG2 GLN 15 8.923 -10.650 -5.936 102 HG3 GLN 15 HG3 GLN 15 9.536 -9.673 -4.603 103 HE21 GLN 15 HE21 GLN 15 11.535 -10.369 -3.482 104 HE22 GLN 15 HE22 GLN 15 12.635 -11.440 -4.314 105 H LYS 16 HN LYS 16 5.530 -11.491 -4.497 106 HA LYS 16 HA LYS 16 5.672 -9.868 -6.652 107 HB2 LYS 16 HB2 LYS 16 3.302 -11.293 -5.424 108 HB3 LYS 16 HB3 LYS 16 3.027 -10.279 -6.829 109 HG2 LYS 16 HG2 LYS 16 5.136 -12.468 -6.837 110 HG3 LYS 16 HG3 LYS 16 3.442 -12.755 -7.275 111 HD2 LYS 16 HD2 LYS 16 3.516 -11.238 -9.103 112 HD3 LYS 16 HD3 LYS 16 5.094 -10.600 -8.621 113 HE2 LYS 16 HE2 LYS 16 5.917 -13.064 -8.949 114 HE3 LYS 16 HE3 LYS 16 4.407 -13.267 -9.851 115 HZ1 LYS 16 HZ1 LYS 16 5.197 -11.323 -11.245 116 HZ2 LYS 16 HZ2 LYS 16 6.170 -12.658 -11.336 117 HZ3 LYS 16 HZ3 LYS 16 6.627 -11.404 -10.428 118 H VAL 17 HN VAL 17 4.120 -8.985 -3.694 119 HA VAL 17 HA VAL 17 2.763 -6.596 -4.583 120 HB VAL 17 HB VAL 17 3.326 -7.877 -1.847 121 HG11 VAL 17 HG11 VAL 17 1.565 -5.462 -2.502 122 HG12 VAL 17 HG12 VAL 17 1.688 -6.277 -0.930 123 HG13 VAL 17 HG13 VAL 17 3.084 -5.412 -1.576 124 HG21 VAL 17 HG21 VAL 17 0.837 -7.698 -3.570 125 HG22 VAL 17 HG22 VAL 17 1.766 -9.162 -3.231 126 HG23 VAL 17 HG23 VAL 17 0.900 -8.355 -1.921 127 H ALA 18 HN ALA 18 5.600 -7.297 -2.462 128 HA ALA 18 HA ALA 18 6.676 -4.843 -2.117 129 HB1 ALA 18 HB1 ALA 18 8.349 -7.289 -2.836 130 HB2 ALA 18 HB2 ALA 18 8.899 -5.837 -2.002 131 HB3 ALA 18 HB3 ALA 18 7.731 -6.902 -1.224 132 H GLU 19 HN GLU 19 7.114 -6.799 -5.055 133 HA GLU 19 HA GLU 19 9.024 -5.217 -6.348 134 HB2 GLU 19 HB2 GLU 19 6.693 -6.776 -7.581 135 HB3 GLU 19 HB3 GLU 19 8.111 -6.253 -8.485 136 HG2 GLU 19 HG2 GLU 19 9.524 -7.726 -7.048 137 HG3 GLU 19 HG3 GLU 19 8.063 -8.357 -6.309 138 H LYS 20 HN LYS 20 5.654 -4.532 -6.074 139 HA LYS 20 HA LYS 20 6.187 -2.089 -7.800 140 HB2 LYS 20 HB2 LYS 20 3.685 -1.825 -8.015 141 HB3 LYS 20 HB3 LYS 20 4.481 -2.983 -9.039 142 HG2 LYS 20 HG2 LYS 20 3.393 -4.008 -6.443 143 HG3 LYS 20 HG3 LYS 20 2.222 -3.443 -7.600 144 HD2 LYS 20 HD2 LYS 20 3.108 -5.950 -7.446 145 HD3 LYS 20 HD3 LYS 20 2.386 -5.247 -8.880 146 HE2 LYS 20 HE2 LYS 20 4.427 -5.044 -10.006 147 HE3 LYS 20 HE3 LYS 20 5.382 -5.256 -8.543 148 HZ1 LYS 20 HZ1 LYS 20 5.303 -7.273 -9.948 149 HZ2 LYS 20 HZ2 LYS 20 3.697 -7.399 -9.713 150 HZ3 LYS 20 HZ3 LYS 20 4.702 -7.529 -8.435 151 H LEU 21 HN LEU 21 5.296 -3.165 -4.632 152 HA LEU 21 HA LEU 21 4.318 -0.668 -3.653 153 HB2 LEU 21 HB2 LEU 21 4.003 -2.938 -2.713 154 HB3 LEU 21 HB3 LEU 21 5.677 -2.982 -2.256 155 HG LEU 21 HG LEU 21 5.449 -1.528 -0.507 156 HD11 LEU 21 HD11 LEU 21 4.275 0.380 -1.353 157 HD12 LEU 21 HD12 LEU 21 3.384 -0.210 0.037 158 HD13 LEU 21 HD13 LEU 21 2.798 -0.568 -1.597 159 HD21 LEU 21 HD21 LEU 21 4.298 -3.735 -0.176 160 HD22 LEU 21 HD22 LEU 21 2.761 -2.957 -0.584 161 HD23 LEU 21 HD23 LEU 21 3.660 -2.452 0.856 162 H ASP 22 HN ASP 22 7.542 -1.961 -4.179 163 HA ASP 22 HA ASP 22 9.184 -0.321 -2.540 164 HB2 ASP 22 HB2 ASP 22 10.019 -2.210 -3.724 165 HB3 ASP 22 HB3 ASP 22 9.475 -1.613 -5.278 166 H GLU 23 HN GLU 23 7.856 0.495 -5.831 167 HA GLU 23 HA GLU 23 9.097 2.943 -6.168 168 HB2 GLU 23 HB2 GLU 23 8.289 1.623 -7.896 169 HB3 GLU 23 HB3 GLU 23 6.707 1.359 -7.153 170 HG2 GLU 23 HG2 GLU 23 5.940 3.452 -7.700 171 HG3 GLU 23 HG3 GLU 23 7.557 4.081 -8.032 172 H ILE 24 HN ILE 24 6.252 2.047 -4.346 173 HA ILE 24 HA ILE 24 4.859 4.553 -4.275 174 HB ILE 24 HB ILE 24 4.991 2.491 -2.143 175 HG12 ILE 24 HG12 ILE 24 4.352 1.479 -4.370 176 HG13 ILE 24 HG13 ILE 24 3.090 1.421 -3.157 177 HG21 ILE 24 HG21 ILE 24 2.410 3.395 -2.067 178 HG22 ILE 24 HG22 ILE 24 3.696 3.769 -0.972 179 HG23 ILE 24 HG23 ILE 24 3.342 4.882 -2.341 180 HD11 ILE 24 HD11 ILE 24 2.215 1.982 -5.357 181 HD12 ILE 24 HD12 ILE 24 1.852 3.257 -4.208 182 HD13 ILE 24 HD13 ILE 24 3.172 3.470 -5.363 183 H TYR 25 HN TYR 25 7.704 3.299 -2.569 184 HA TYR 25 HA TYR 25 7.916 5.600 -0.773 185 HB2 TYR 25 HB2 TYR 25 9.720 3.208 -1.285 186 HB3 TYR 25 HB3 TYR 25 9.924 4.397 0.029 187 HD1 TYR 25 HD2 TYR 25 7.839 4.704 1.613 188 HD2 TYR 25 HD1 TYR 25 8.352 1.307 -0.978 189 HE1 TYR 25 HE2 TYR 25 5.911 3.584 2.705 190 HE2 TYR 25 HE1 TYR 25 6.523 0.152 0.187 191 HH TYR 25 HH TYR 25 5.237 0.557 2.832 192 H VAL 26 HN VAL 26 9.760 4.241 -3.568 193 HA VAL 26 HA VAL 26 11.718 6.201 -3.769 194 HB VAL 26 HB VAL 26 10.303 4.829 -6.100 195 HG11 VAL 26 HG11 VAL 26 11.727 6.641 -6.930 196 HG12 VAL 26 HG12 VAL 26 13.063 6.107 -5.894 197 HG13 VAL 26 HG13 VAL 26 12.510 5.104 -7.266 198 HG21 VAL 26 HG21 VAL 26 12.709 3.986 -4.454 199 HG22 VAL 26 HG22 VAL 26 11.152 3.139 -4.547 200 HG23 VAL 26 HG23 VAL 26 12.194 3.190 -5.958 201 H ALA 27 HN ALA 27 8.371 6.422 -4.954 202 HA ALA 27 HA ALA 27 8.860 8.741 -6.599 203 HB1 ALA 27 HB1 ALA 27 7.183 7.043 -7.175 204 HB2 ALA 27 HB2 ALA 27 6.289 7.380 -5.668 205 HB3 ALA 27 HB3 ALA 27 6.412 8.630 -6.945 206 H GLY 28 HN GLY 28 9.050 8.674 -3.365 207 HA2 GLY 28 HA1 GLY 28 9.103 10.343 -1.897 208 HA3 GLY 28 HA2 GLY 28 8.518 11.467 -3.125 209 H LEU 29 HN LEU 29 6.341 9.008 -3.088 210 HA LEU 29 HA LEU 29 4.265 10.677 -2.087 211 HB2 LEU 29 HB2 LEU 29 4.135 7.676 -2.652 212 HB3 LEU 29 HB3 LEU 29 2.780 8.770 -2.453 213 HG LEU 29 HG LEU 29 4.843 8.826 -4.684 214 HD11 LEU 29 HD11 LEU 29 3.094 7.084 -4.819 215 HD12 LEU 29 HD12 LEU 29 2.974 8.284 -6.141 216 HD13 LEU 29 HD13 LEU 29 1.846 8.340 -4.805 217 HD21 LEU 29 HD21 LEU 29 3.437 10.594 -5.737 218 HD22 LEU 29 HD22 LEU 29 4.269 11.148 -4.295 219 HD23 LEU 29 HD23 LEU 29 2.532 10.759 -4.224 220 H VAL 30 HN VAL 30 5.577 7.614 -0.794 221 HA VAL 30 HA VAL 30 4.858 8.691 1.945 222 HB VAL 30 HB VAL 30 4.150 6.434 2.605 223 HG11 VAL 30 HG11 VAL 30 2.473 8.032 1.660 224 HG12 VAL 30 HG12 VAL 30 2.680 7.291 0.067 225 HG13 VAL 30 HG13 VAL 30 2.054 6.316 1.400 226 HG21 VAL 30 HG21 VAL 30 3.892 4.651 1.031 227 HG22 VAL 30 HG22 VAL 30 4.354 5.721 -0.331 228 HG23 VAL 30 HG23 VAL 30 5.559 5.234 0.844 229 H ALA 31 HN ALA 31 5.899 7.664 3.802 230 HA ALA 31 HA ALA 31 8.712 6.795 3.312 231 HB1 ALA 31 HB1 ALA 31 8.488 8.754 4.796 232 HB2 ALA 31 HB2 ALA 31 7.322 7.878 5.813 233 HB3 ALA 31 HB3 ALA 31 9.004 7.338 5.723 234 H HIS 32 HN HIS 32 9.422 4.892 4.613 235 HA HIS 32 HA HIS 32 7.423 2.845 4.338 236 HB2 HIS 32 HB2 HIS 32 9.071 1.268 4.790 237 HB3 HIS 32 HB3 HIS 32 9.819 2.532 3.827 238 HD1 HIS 32 HD1 HIS 32 9.769 1.241 7.474 239 HD2 HIS 32 HD2 HIS 32 12.079 3.482 4.758 240 HE1 HIS 32 HE1 HIS 32 11.921 1.851 8.701 241 H SER 33 HN SER 33 8.074 4.864 7.004 242 HA SER 33 HA SER 33 6.372 3.118 8.732 243 HB2 SER 33 HB2 SER 33 8.437 5.039 9.603 244 HB3 SER 33 HB3 SER 33 7.376 4.111 10.669 245 HG SER 33 HG SER 33 8.322 2.209 9.534 246 H ASP 34 HN ASP 34 5.728 5.376 6.616 247 HA ASP 34 HA ASP 34 4.354 7.346 8.270 248 HB2 ASP 34 HB2 ASP 34 4.971 7.478 5.698 249 HB3 ASP 34 HB3 ASP 34 3.470 6.622 5.484 250 H LEU 35 HN LEU 35 3.754 4.116 7.095 251 HA LEU 35 HA LEU 35 0.867 4.161 7.363 252 HB2 LEU 35 HB2 LEU 35 2.849 1.872 6.963 253 HB3 LEU 35 HB3 LEU 35 1.102 1.732 6.896 254 HG LEU 35 HG LEU 35 1.778 1.760 4.688 255 HD11 LEU 35 HD11 LEU 35 -0.145 3.232 5.101 256 HD12 LEU 35 HD12 LEU 35 0.795 3.763 3.687 257 HD13 LEU 35 HD13 LEU 35 0.933 4.625 5.232 258 HD21 LEU 35 HD21 LEU 35 3.472 4.262 4.989 259 HD22 LEU 35 HD22 LEU 35 3.286 3.227 3.576 260 HD23 LEU 35 HD23 LEU 35 4.104 2.601 5.006 261 H ASP 36 HN ASP 36 -0.288 3.617 9.045 262 HA ASP 36 HA ASP 36 1.047 3.148 11.661 263 HB2 ASP 36 HB2 ASP 36 -1.950 3.198 11.292 264 HB3 ASP 36 HB3 ASP 36 -1.003 3.633 12.708 265 H GLU 37 HN GLU 37 0.164 1.350 12.985 266 HA GLU 37 HA GLU 37 0.319 -1.155 12.089 267 HB2 GLU 37 HB2 GLU 37 0.130 -0.212 14.423 268 HB3 GLU 37 HB3 GLU 37 -1.611 -0.205 14.225 269 HG2 GLU 37 HG2 GLU 37 -1.590 -2.676 13.970 270 HG3 GLU 37 HG3 GLU 37 0.185 -2.674 14.126 271 H ARG 38 HN ARG 38 -2.758 0.618 12.242 272 HA ARG 38 HA ARG 38 -4.565 -1.334 11.376 273 HB2 ARG 38 HB2 ARG 38 -5.905 0.611 10.417 274 HB3 ARG 38 HB3 ARG 38 -5.559 0.611 12.145 275 HG2 ARG 38 HG2 ARG 38 -3.834 2.233 11.927 276 HG3 ARG 38 HG3 ARG 38 -3.826 2.077 10.155 277 HD2 ARG 38 HD2 ARG 38 -6.079 3.075 10.072 278 HD3 ARG 38 HD3 ARG 38 -6.096 3.193 11.841 279 HE ARG 38 HE ARG 38 -3.766 4.505 10.676 280 HH11 ARG 38 HH11 ARG 38 -7.153 5.143 11.625 281 HH12 ARG 38 HH12 ARG 38 -7.042 6.803 11.135 282 HH21 ARG 38 HH21 ARG 38 -3.550 6.624 10.500 283 HH22 ARG 38 HH22 ARG 38 -4.895 7.733 10.779 284 H ALA 39 HN ALA 39 -2.303 0.447 9.387 285 HA ALA 39 HA ALA 39 -3.541 -0.485 6.857 286 HB1 ALA 39 HB1 ALA 39 -2.733 1.783 6.818 287 HB2 ALA 39 HB2 ALA 39 -1.156 1.303 7.496 288 HB3 ALA 39 HB3 ALA 39 -1.602 0.793 5.872 289 H ILE 40 HN ILE 40 -0.826 -1.181 9.026 290 HA ILE 40 HA ILE 40 0.619 -2.878 7.193 291 HB ILE 40 HB ILE 40 0.627 -3.137 10.205 292 HG12 ILE 40 HG12 ILE 40 0.974 -0.770 9.737 293 HG13 ILE 40 HG13 ILE 40 2.387 -1.529 10.339 294 HG21 ILE 40 HG21 ILE 40 2.719 -3.683 8.052 295 HG22 ILE 40 HG22 ILE 40 2.967 -3.872 9.799 296 HG23 ILE 40 HG23 ILE 40 1.780 -4.875 8.950 297 HD11 ILE 40 HD11 ILE 40 3.416 -1.508 8.090 298 HD12 ILE 40 HD12 ILE 40 1.914 -0.836 7.412 299 HD13 ILE 40 HD13 ILE 40 2.881 0.104 8.559 300 H GLU 41 HN GLU 41 -1.806 -3.557 9.786 301 HA GLU 41 HA GLU 41 -2.136 -6.316 9.298 302 HB2 GLU 41 HB2 GLU 41 -3.124 -5.029 11.226 303 HB3 GLU 41 HB3 GLU 41 -4.205 -4.217 10.103 304 HG2 GLU 41 HG2 GLU 41 -5.445 -5.939 11.180 305 HG3 GLU 41 HG3 GLU 41 -5.255 -6.404 9.517 306 H ALA 42 HN ALA 42 -3.838 -3.513 7.826 307 HA ALA 42 HA ALA 42 -5.509 -5.017 6.136 308 HB1 ALA 42 HB1 ALA 42 -4.388 -2.233 5.603 309 HB2 ALA 42 HB2 ALA 42 -5.837 -2.967 4.879 310 HB3 ALA 42 HB3 ALA 42 -5.814 -2.604 6.607 311 H LEU 43 HN LEU 43 -2.092 -3.877 5.453 312 HA LEU 43 HA LEU 43 -2.026 -4.807 2.832 313 HB2 LEU 43 HB2 LEU 43 -0.048 -4.198 4.961 314 HB3 LEU 43 HB3 LEU 43 0.496 -5.445 3.871 315 HG LEU 43 HG LEU 43 -0.388 -2.671 3.145 316 HD11 LEU 43 HD11 LEU 43 1.949 -2.339 2.531 317 HD12 LEU 43 HD12 LEU 43 2.302 -4.051 2.760 318 HD13 LEU 43 HD13 LEU 43 1.917 -3.029 4.163 319 HD21 LEU 43 HD21 LEU 43 0.371 -5.035 1.338 320 HD22 LEU 43 HD22 LEU 43 0.584 -3.373 0.782 321 HD23 LEU 43 HD23 LEU 43 -1.021 -3.965 1.176 322 H LYS 44 HN LYS 44 -1.252 -6.759 5.801 323 HA LYS 44 HA LYS 44 -0.690 -9.150 4.417 324 HB2 LYS 44 HB2 LYS 44 -1.319 -8.353 7.218 325 HB3 LYS 44 HB3 LYS 44 -1.826 -9.976 6.789 326 HG2 LYS 44 HG2 LYS 44 0.244 -10.450 7.515 327 HG3 LYS 44 HG3 LYS 44 0.512 -10.340 5.789 328 HD2 LYS 44 HD2 LYS 44 2.290 -9.246 6.756 329 HD3 LYS 44 HD3 LYS 44 1.354 -7.921 6.219 330 HE2 LYS 44 HE2 LYS 44 0.371 -7.654 8.508 331 HE3 LYS 44 HE3 LYS 44 1.316 -9.050 9.064 332 HZ1 LYS 44 HZ1 LYS 44 2.299 -6.892 9.612 333 HZ2 LYS 44 HZ2 LYS 44 2.524 -6.572 8.015 334 HZ3 LYS 44 HZ3 LYS 44 3.315 -7.833 8.750 335 H GLU 45 HN GLU 45 -3.836 -7.597 4.685 336 HA GLU 45 HA GLU 45 -5.314 -10.060 4.917 337 HB2 GLU 45 HB2 GLU 45 -6.034 -7.158 4.520 338 HB3 GLU 45 HB3 GLU 45 -7.225 -8.369 4.212 339 HG2 GLU 45 HG2 GLU 45 -6.079 -9.044 6.758 340 HG3 GLU 45 HG3 GLU 45 -6.378 -7.302 6.758 341 H PHE 46 HN PHE 46 -3.966 -8.584 2.130 342 HA PHE 46 HA PHE 46 -6.203 -9.423 0.409 343 HB2 PHE 46 HB2 PHE 46 -3.742 -7.714 -0.074 344 HB3 PHE 46 HB3 PHE 46 -4.908 -8.179 -1.312 345 HD1 PHE 46 HD1 PHE 46 -7.212 -7.291 -1.344 346 HD2 PHE 46 HD2 PHE 46 -4.328 -6.002 1.592 347 HE1 PHE 46 HE1 PHE 46 -8.710 -5.466 -0.681 348 HE2 PHE 46 HE2 PHE 46 -5.844 -4.192 2.274 349 HZ PHE 46 HZ PHE 46 -8.026 -3.862 1.118 350 H ASN 47 HN ASN 47 -5.738 -10.370 -1.514 351 HA ASN 47 HA ASN 47 -3.665 -12.521 -1.557 352 HB2 ASN 47 HB2 ASN 47 -4.775 -13.494 -3.425 353 HB3 ASN 47 HB3 ASN 47 -5.980 -13.145 -2.240 354 HD21 ASN 47 HD21 ASN 47 -7.666 -11.563 -2.843 355 HD22 ASN 47 HD22 ASN 47 -7.703 -10.847 -4.447 356 H GLU 48 HN GLU 48 -2.835 -12.863 -3.964 357 HA GLU 48 HA GLU 48 -0.815 -11.056 -4.312 358 HB2 GLU 48 HB2 GLU 48 -1.290 -13.523 -5.254 359 HB3 GLU 48 HB3 GLU 48 -1.891 -12.652 -6.668 360 HG2 GLU 48 HG2 GLU 48 0.545 -11.395 -6.009 361 HG3 GLU 48 HG3 GLU 48 0.810 -13.118 -5.710 362 H ASP 49 HN ASP 49 -3.945 -11.033 -5.882 363 HA ASP 49 HA ASP 49 -3.210 -8.801 -7.749 364 HB2 ASP 49 HB2 ASP 49 -4.344 -10.740 -8.740 365 HB3 ASP 49 HB3 ASP 49 -5.586 -10.646 -7.496 366 H GLY 50 HN GLY 50 -5.359 -9.725 -5.054 367 HA2 GLY 50 HA1 GLY 50 -6.957 -7.439 -4.967 368 HA3 GLY 50 HA2 GLY 50 -6.569 -8.438 -3.563 369 H ALA 51 HN ALA 51 -3.793 -8.078 -3.458 370 HA ALA 51 HA ALA 51 -3.389 -5.575 -2.135 371 HB1 ALA 51 HB1 ALA 51 -2.057 -7.582 -1.641 372 HB2 ALA 51 HB2 ALA 51 -1.439 -7.594 -3.293 373 HB3 ALA 51 HB3 ALA 51 -1.006 -6.260 -2.196 374 H LEU 52 HN LEU 52 -2.522 -6.788 -5.386 375 HA LEU 52 HA LEU 52 -1.079 -4.477 -6.233 376 HB2 LEU 52 HB2 LEU 52 -2.215 -6.955 -7.472 377 HB3 LEU 52 HB3 LEU 52 -1.971 -5.604 -8.559 378 HG LEU 52 HG LEU 52 0.289 -5.427 -8.112 379 HD11 LEU 52 HD11 LEU 52 0.713 -5.747 -5.812 380 HD12 LEU 52 HD12 LEU 52 1.498 -7.145 -6.555 381 HD13 LEU 52 HD13 LEU 52 -0.079 -7.327 -5.786 382 HD21 LEU 52 HD21 LEU 52 -0.076 -8.411 -8.259 383 HD22 LEU 52 HD22 LEU 52 1.180 -7.404 -8.985 384 HD23 LEU 52 HD23 LEU 52 -0.463 -7.313 -9.614 385 H ALA 53 HN ALA 53 -4.590 -5.256 -6.447 386 HA ALA 53 HA ALA 53 -5.140 -2.923 -7.984 387 HB1 ALA 53 HB1 ALA 53 -6.719 -4.821 -7.569 388 HB2 ALA 53 HB2 ALA 53 -6.948 -4.203 -5.903 389 HB3 ALA 53 HB3 ALA 53 -7.423 -3.216 -7.305 390 H VAL 54 HN VAL 54 -4.913 -3.297 -4.416 391 HA VAL 54 HA VAL 54 -5.626 -0.618 -3.741 392 HB VAL 54 HB VAL 54 -3.690 -2.544 -2.367 393 HG11 VAL 54 HG11 VAL 54 -3.255 -0.277 -1.548 394 HG12 VAL 54 HG12 VAL 54 -4.980 -0.086 -1.157 395 HG13 VAL 54 HG13 VAL 54 -3.991 -1.317 -0.327 396 HG21 VAL 54 HG21 VAL 54 -6.572 -1.909 -1.652 397 HG22 VAL 54 HG22 VAL 54 -6.074 -3.368 -2.529 398 HG23 VAL 54 HG23 VAL 54 -5.530 -3.096 -0.874 399 H LEU 55 HN LEU 55 -2.566 -2.021 -4.894 400 HA LEU 55 HA LEU 55 -1.032 0.411 -4.465 401 HB2 LEU 55 HB2 LEU 55 -0.398 -1.977 -6.253 402 HB3 LEU 55 HB3 LEU 55 0.701 -0.670 -5.829 403 HG LEU 55 HG LEU 55 -0.463 -2.760 -3.943 404 HD11 LEU 55 HD11 LEU 55 2.375 -2.149 -4.828 405 HD12 LEU 55 HD12 LEU 55 1.373 -3.519 -5.345 406 HD13 LEU 55 HD13 LEU 55 1.894 -3.403 -3.660 407 HD21 LEU 55 HD21 LEU 55 0.959 -1.729 -2.189 408 HD22 LEU 55 HD22 LEU 55 -0.387 -0.706 -2.659 409 HD23 LEU 55 HD23 LEU 55 1.249 -0.346 -3.279 410 H GLN 56 HN GLN 56 -2.405 -1.143 -7.416 411 HA GLN 56 HA GLN 56 -1.500 0.874 -9.141 412 HB2 GLN 56 HB2 GLN 56 -2.520 -0.282 -10.814 413 HB3 GLN 56 HB3 GLN 56 -2.351 -1.527 -9.579 414 HG2 GLN 56 HG2 GLN 56 -4.798 -0.953 -8.949 415 HG3 GLN 56 HG3 GLN 56 -4.861 -0.088 -10.480 416 HE21 GLN 56 HE21 GLN 56 -3.474 -3.249 -9.380 417 HE22 GLN 56 HE22 GLN 56 -4.343 -4.258 -10.521 418 H GLN 57 HN GLN 57 -4.232 0.949 -6.996 419 HA GLN 57 HA GLN 57 -5.320 3.358 -8.318 420 HB2 GLN 57 HB2 GLN 57 -6.693 1.546 -7.245 421 HB3 GLN 57 HB3 GLN 57 -6.149 2.124 -5.668 422 HG2 GLN 57 HG2 GLN 57 -7.339 4.181 -5.908 423 HG3 GLN 57 HG3 GLN 57 -7.409 4.034 -7.662 424 HE21 GLN 57 HE21 GLN 57 -8.858 2.788 -4.634 425 HE22 GLN 57 HE22 GLN 57 -10.223 1.990 -5.390 426 H PHE 58 HN PHE 58 -3.391 2.505 -5.391 427 HA PHE 58 HA PHE 58 -3.524 5.168 -4.325 428 HB2 PHE 58 HB2 PHE 58 -3.346 3.134 -2.970 429 HB3 PHE 58 HB3 PHE 58 -1.754 2.793 -3.654 430 HD1 PHE 58 HD2 PHE 58 -3.596 5.587 -1.888 431 HD2 PHE 58 HD1 PHE 58 0.079 3.386 -2.340 432 HE1 PHE 58 HE2 PHE 58 -2.620 6.827 0.008 433 HE2 PHE 58 HE1 PHE 58 1.068 4.637 -0.437 434 HZ PHE 58 HZ PHE 58 -0.261 6.351 0.738 435 H LYS 59 HN LYS 59 -1.022 3.477 -6.282 436 HA LYS 59 HA LYS 59 1.022 5.528 -6.201 437 HB2 LYS 59 HB2 LYS 59 1.325 3.247 -7.148 438 HB3 LYS 59 HB3 LYS 59 0.194 3.673 -8.411 439 HG2 LYS 59 HG2 LYS 59 2.123 3.956 -9.473 440 HG3 LYS 59 HG3 LYS 59 1.877 5.612 -9.021 441 HD2 LYS 59 HD2 LYS 59 3.639 3.684 -7.447 442 HD3 LYS 59 HD3 LYS 59 4.210 4.476 -8.880 443 HE2 LYS 59 HE2 LYS 59 3.175 6.102 -6.522 444 HE3 LYS 59 HE3 LYS 59 4.842 5.595 -6.627 445 HZ1 LYS 59 HZ1 LYS 59 4.941 6.661 -8.856 446 HZ2 LYS 59 HZ2 LYS 59 4.677 7.727 -7.642 447 HZ3 LYS 59 HZ3 LYS 59 3.453 7.309 -8.636 448 H ASP 60 HN ASP 60 -1.989 5.080 -7.965 449 HA ASP 60 HA ASP 60 -1.604 7.239 -9.842 450 HB2 ASP 60 HB2 ASP 60 -2.570 4.971 -10.289 451 HB3 ASP 60 HB3 ASP 60 -3.960 5.397 -9.289 452 H SER 61 HN SER 61 -2.427 7.343 -6.594 453 HA SER 61 HA SER 61 -4.550 9.374 -6.762 454 HB2 SER 61 HB2 SER 61 -2.851 8.442 -4.426 455 HB3 SER 61 HB3 SER 61 -4.341 9.390 -4.344 456 HG SER 61 HG SER 61 -5.401 7.534 -5.281 457 H ASP 62 HN ASP 62 -4.431 11.389 -6.154 458 HA ASP 62 HA ASP 62 -2.152 12.915 -7.026 459 HB2 ASP 62 HB2 ASP 62 -4.890 13.641 -5.893 460 HB3 ASP 62 HB3 ASP 62 -3.732 14.780 -6.566 461 H LEU 63 HN LEU 63 -1.114 11.622 -4.945 462 HA LEU 63 HA LEU 63 -1.935 12.487 -2.363 463 HB2 LEU 63 HB2 LEU 63 0.643 11.089 -3.133 464 HB3 LEU 63 HB3 LEU 63 0.006 11.218 -1.501 465 HG LEU 63 HG LEU 63 -1.323 9.767 -3.806 466 HD11 LEU 63 HD11 LEU 63 0.595 8.572 -3.021 467 HD12 LEU 63 HD12 LEU 63 -0.844 7.742 -2.449 468 HD13 LEU 63 HD13 LEU 63 0.129 8.751 -1.335 469 HD21 LEU 63 HD21 LEU 63 -3.109 10.587 -2.435 470 HD22 LEU 63 HD22 LEU 63 -2.244 10.213 -0.937 471 HD23 LEU 63 HD23 LEU 63 -2.872 8.906 -1.975 472 H SER 64 HN SER 64 -0.183 14.479 -4.393 473 HA SER 64 HA SER 64 1.849 15.476 -2.712 474 HB2 SER 64 HB2 SER 64 0.252 17.059 -4.777 475 HB3 SER 64 HB3 SER 64 1.912 17.351 -4.195 476 HG SER 64 HG SER 64 2.143 16.245 -6.088 477 H HIS 65 HN HIS 65 -1.501 16.823 -3.168 478 HA HIS 65 HA HIS 65 -1.201 18.428 -0.734 479 HB2 HIS 65 HB2 HIS 65 -3.594 18.151 -2.565 480 HB3 HIS 65 HB3 HIS 65 -3.344 19.355 -1.308 481 HD1 HIS 65 HD1 HIS 65 -3.085 19.043 -4.913 482 HD2 HIS 65 HD2 HIS 65 -0.849 20.901 -1.858 483 HE1 HIS 65 HE1 HIS 65 -1.670 20.823 -6.045 484 H VAL 66 HN VAL 66 -0.888 15.915 0.037 485 HA VAL 66 HA VAL 66 -3.335 15.499 1.689 486 HB VAL 66 HB VAL 66 -1.661 13.252 0.461 487 HG11 VAL 66 HG11 VAL 66 -3.970 13.116 2.443 488 HG12 VAL 66 HG12 VAL 66 -3.181 11.725 1.663 489 HG13 VAL 66 HG13 VAL 66 -2.269 12.740 2.786 490 HG21 VAL 66 HG21 VAL 66 -4.596 13.946 0.038 491 HG22 VAL 66 HG22 VAL 66 -3.300 14.116 -1.161 492 HG23 VAL 66 HG23 VAL 66 -3.761 12.510 -0.595 493 H GLN 67 HN GLN 67 -2.629 16.004 3.787 494 HA GLN 67 HA GLN 67 0.182 15.599 4.423 495 HB2 GLN 67 HB2 GLN 67 -1.416 17.390 5.408 496 HB3 GLN 67 HB3 GLN 67 -1.944 16.120 6.516 497 HG2 GLN 67 HG2 GLN 67 1.013 16.606 6.104 498 HG3 GLN 67 HG3 GLN 67 0.091 17.785 7.032 499 HE21 GLN 67 HE21 GLN 67 0.730 14.145 7.017 500 HE22 GLN 67 HE22 GLN 67 0.775 14.125 8.769 501 H ASN 68 HN ASN 68 -2.899 14.089 5.521 502 HA ASN 68 HA ASN 68 -1.542 12.027 7.044 503 HB2 ASN 68 HB2 ASN 68 -4.447 12.655 6.383 504 HB3 ASN 68 HB3 ASN 68 -4.002 11.135 7.133 505 HD21 ASN 68 HD21 ASN 68 -2.934 11.064 9.184 506 HD22 ASN 68 HD22 ASN 68 -3.224 12.374 10.316 507 H LYS 69 HN LYS 69 -0.215 11.329 5.140 508 HA LYS 69 HA LYS 69 -1.289 10.103 2.895 509 HB2 LYS 69 HB2 LYS 69 1.160 9.042 4.362 510 HB3 LYS 69 HB3 LYS 69 0.792 8.913 2.649 511 HG2 LYS 69 HG2 LYS 69 1.633 11.407 4.130 512 HG3 LYS 69 HG3 LYS 69 2.566 10.457 2.983 513 HD2 LYS 69 HD2 LYS 69 0.753 11.061 1.235 514 HD3 LYS 69 HD3 LYS 69 0.232 12.290 2.418 515 HE2 LYS 69 HE2 LYS 69 2.765 12.932 2.547 516 HE3 LYS 69 HE3 LYS 69 2.957 11.936 1.103 517 HZ1 LYS 69 HZ1 LYS 69 1.278 13.499 0.057 518 HZ2 LYS 69 HZ2 LYS 69 2.752 14.135 0.439 519 HZ3 LYS 69 HZ3 LYS 69 1.470 14.452 1.390 520 H SER 70 HN SER 70 -0.716 8.727 6.055 521 HA SER 70 HA SER 70 -0.937 5.985 5.569 522 HB2 SER 70 HB2 SER 70 -1.808 6.917 8.237 523 HB3 SER 70 HB3 SER 70 -0.470 5.861 7.779 524 HG SER 70 HG SER 70 0.806 7.443 8.054 525 H ALA 71 HN ALA 71 -3.297 8.356 6.858 526 HA ALA 71 HA ALA 71 -5.460 6.564 7.068 527 HB1 ALA 71 HB1 ALA 71 -5.562 9.570 6.607 528 HB2 ALA 71 HB2 ALA 71 -6.856 8.563 7.268 529 HB3 ALA 71 HB3 ALA 71 -5.362 8.788 8.199 530 H PHE 72 HN PHE 72 -4.281 8.535 4.358 531 HA PHE 72 HA PHE 72 -6.552 8.119 2.647 532 HB2 PHE 72 HB2 PHE 72 -4.667 9.814 2.374 533 HB3 PHE 72 HB3 PHE 72 -3.677 8.513 1.746 534 HD1 PHE 72 HD1 PHE 72 -4.942 7.088 -0.284 535 HD2 PHE 72 HD2 PHE 72 -5.692 11.201 0.815 536 HE1 PHE 72 HE1 PHE 72 -5.746 7.548 -2.554 537 HE2 PHE 72 HE2 PHE 72 -6.465 11.656 -1.489 538 HZ PHE 72 HZ PHE 72 -6.472 9.848 -3.191 539 H LEU 73 HN LEU 73 -3.475 6.334 3.050 540 HA LEU 73 HA LEU 73 -3.893 4.407 0.961 541 HB2 LEU 73 HB2 LEU 73 -1.717 4.833 1.927 542 HB3 LEU 73 HB3 LEU 73 -2.220 4.444 3.517 543 HG LEU 73 HG LEU 73 -0.813 2.686 2.262 544 HD11 LEU 73 HD11 LEU 73 -1.482 1.091 3.557 545 HD12 LEU 73 HD12 LEU 73 -3.235 1.431 3.370 546 HD13 LEU 73 HD13 LEU 73 -2.205 2.459 4.367 547 HD21 LEU 73 HD21 LEU 73 -3.307 1.846 0.828 548 HD22 LEU 73 HD22 LEU 73 -1.635 1.267 0.660 549 HD23 LEU 73 HD23 LEU 73 -2.062 2.872 0.106 550 H CYS 74 HN CYS 74 -4.335 4.283 4.453 551 HA CYS 74 HA CYS 74 -5.352 1.681 4.578 552 HB2 CYS 74 HB2 CYS 74 -4.635 3.428 6.452 553 HB3 CYS 74 HB3 CYS 74 -6.369 3.800 6.512 554 HG CYS 74 HG CYS 74 -7.176 1.413 6.993 555 H GLY 75 HN GLY 75 -7.093 4.791 4.028 556 HA2 GLY 75 HA1 GLY 75 -9.739 3.872 3.847 557 HA3 GLY 75 HA2 GLY 75 -9.033 5.260 3.002 558 H VAL 76 HN VAL 76 -7.210 4.026 1.209 559 HA VAL 76 HA VAL 76 -8.927 2.986 -0.810 560 HB VAL 76 HB VAL 76 -5.897 2.751 -0.608 561 HG11 VAL 76 HG11 VAL 76 -5.983 2.499 -3.083 562 HG12 VAL 76 HG12 VAL 76 -6.700 1.137 -2.228 563 HG13 VAL 76 HG13 VAL 76 -7.753 2.353 -2.979 564 HG21 VAL 76 HG21 VAL 76 -5.908 4.683 -2.172 565 HG22 VAL 76 HG22 VAL 76 -7.675 4.761 -2.075 566 HG23 VAL 76 HG23 VAL 76 -6.689 5.118 -0.652 567 H MET 77 HN MET 77 -6.940 1.292 1.683 568 HA MET 77 HA MET 77 -7.468 -1.340 0.667 569 HB2 MET 77 HB2 MET 77 -7.067 -0.637 3.599 570 HB3 MET 77 HB3 MET 77 -6.819 -2.185 2.808 571 HG2 MET 77 HG2 MET 77 -5.212 -0.301 1.381 572 HG3 MET 77 HG3 MET 77 -5.028 0.061 3.086 573 HE1 MET 77 HE1 MET 77 -2.732 -0.143 1.934 574 HE2 MET 77 HE2 MET 77 -2.257 -0.870 3.465 575 HE3 MET 77 HE3 MET 77 -1.811 -1.645 1.925 576 H LYS 78 HN LYS 78 -9.363 0.825 2.747 577 HA LYS 78 HA LYS 78 -11.274 -1.138 3.599 578 HB2 LYS 78 HB2 LYS 78 -11.315 1.903 3.488 579 HB3 LYS 78 HB3 LYS 78 -12.796 1.005 3.714 580 HG2 LYS 78 HG2 LYS 78 -11.509 -0.241 5.622 581 HG3 LYS 78 HG3 LYS 78 -10.358 1.093 5.512 582 HD2 LYS 78 HD2 LYS 78 -12.006 1.585 7.251 583 HD3 LYS 78 HD3 LYS 78 -12.251 2.693 5.904 584 HE2 LYS 78 HE2 LYS 78 -14.419 1.888 6.680 585 HE3 LYS 78 HE3 LYS 78 -14.132 1.278 5.070 586 HZ1 LYS 78 HZ1 LYS 78 -14.979 -0.441 6.302 587 HZ2 LYS 78 HZ2 LYS 78 -13.979 -0.221 7.596 588 HZ3 LYS 78 HZ3 LYS 78 -13.424 -0.859 6.168 589 H THR 79 HN THR 79 -11.330 1.079 0.719 590 HA THR 79 HA THR 79 -13.901 -0.001 -0.084 591 HB THR 79 HB THR 79 -13.383 2.074 -1.050 592 HG1 THR 79 HG1 THR 79 -14.289 1.227 -2.731 593 HG21 THR 79 HG21 THR 79 -10.951 2.173 -0.894 594 HG22 THR 79 HG22 THR 79 -11.512 2.609 -2.507 595 HG23 THR 79 HG23 THR 79 -10.811 1.001 -2.244 596 H TYR 80 HN TYR 80 -10.479 -0.958 -0.994 597 HA TYR 80 HA TYR 80 -11.443 -2.803 -2.809 598 HB2 TYR 80 HB2 TYR 80 -8.840 -2.518 -1.374 599 HB3 TYR 80 HB3 TYR 80 -9.131 -3.974 -2.312 600 HD1 TYR 80 HD2 TYR 80 -10.217 -3.662 -4.684 601 HD2 TYR 80 HD1 TYR 80 -8.081 -0.593 -2.564 602 HE1 TYR 80 HE2 TYR 80 -9.823 -2.480 -6.822 603 HE2 TYR 80 HE1 TYR 80 -7.568 0.542 -4.711 604 HH TYR 80 HH TYR 80 -8.815 -0.620 -7.872 605 H ARG 81 HN ARG 81 -11.075 -3.432 0.696 606 HA ARG 81 HA ARG 81 -11.907 -6.265 0.297 607 HB2 ARG 81 HB2 ARG 81 -11.368 -4.580 2.756 608 HB3 ARG 81 HB3 ARG 81 -12.448 -5.955 2.876 609 HG2 ARG 81 HG2 ARG 81 -10.434 -7.230 1.600 610 HG3 ARG 81 HG3 ARG 81 -9.503 -5.939 2.365 611 HD2 ARG 81 HD2 ARG 81 -9.510 -7.797 3.874 612 HD3 ARG 81 HD3 ARG 81 -10.602 -6.593 4.572 613 HE ARG 81 HE ARG 81 -11.987 -8.495 2.873 614 HH11 ARG 81 HH11 ARG 81 -10.393 -8.386 6.082 615 HH12 ARG 81 HH12 ARG 81 -11.418 -9.583 6.753 616 HH21 ARG 81 HH21 ARG 81 -13.272 -10.193 3.856 617 HH22 ARG 81 HH22 ARG 81 -12.939 -10.663 5.495 618 H GLN 82 HN GLN 82 -13.530 -3.167 0.742 619 HA GLN 82 HA GLN 82 -16.131 -4.590 0.930 620 HB2 GLN 82 HB2 GLN 82 -14.863 -2.830 2.927 621 HB3 GLN 82 HB3 GLN 82 -16.450 -2.274 2.428 622 HG2 GLN 82 HG2 GLN 82 -17.401 -4.527 2.901 623 HG3 GLN 82 HG3 GLN 82 -15.800 -5.111 3.338 624 HE21 GLN 82 HE21 GLN 82 -18.627 -3.345 4.439 625 HE22 GLN 82 HE22 GLN 82 -18.008 -2.953 6.030 626 H ARG 83 HN ARG 83 -16.243 -4.376 -1.242 627 HA ARG 83 HA ARG 83 -17.037 -1.711 -2.271 628 HB2 ARG 83 HB2 ARG 83 -15.942 -2.284 -4.410 629 HB3 ARG 83 HB3 ARG 83 -14.815 -2.034 -3.108 630 HG2 ARG 83 HG2 ARG 83 -14.552 -4.500 -2.827 631 HG3 ARG 83 HG3 ARG 83 -15.774 -4.755 -4.085 632 HD2 ARG 83 HD2 ARG 83 -14.267 -3.497 -5.688 633 HD3 ARG 83 HD3 ARG 83 -13.045 -3.448 -4.411 634 HE ARG 83 HE ARG 83 -12.580 -5.683 -4.765 635 HH11 ARG 83 HH11 ARG 83 -15.644 -4.949 -6.525 636 HH12 ARG 83 HH12 ARG 83 -15.632 -6.542 -7.262 637 HH21 ARG 83 HH21 ARG 83 -12.678 -7.680 -5.864 638 HH22 ARG 83 HH22 ARG 83 -14.044 -8.008 -6.920 639 H GLU 84 HN GLU 84 -18.620 -3.913 -1.135 640 HA GLU 84 HA GLU 84 -20.379 -4.513 -3.409 641 HB2 GLU 84 HB2 GLU 84 -18.952 -6.583 -1.681 642 HB3 GLU 84 HB3 GLU 84 -20.464 -6.933 -2.515 643 HG2 GLU 84 HG2 GLU 84 -19.338 -6.142 -4.684 644 HG3 GLU 84 HG3 GLU 84 -17.817 -6.188 -3.793 645 H LYS 85 HN LYS 85 -22.291 -5.817 -2.416 646 HA LYS 85 HA LYS 85 -23.460 -4.533 -0.062 647 HB2 LYS 85 HB2 LYS 85 -24.242 -6.972 -1.689 648 HB3 LYS 85 HB3 LYS 85 -25.144 -6.340 -0.318 649 HG2 LYS 85 HG2 LYS 85 -24.678 -5.001 -2.994 650 HG3 LYS 85 HG3 LYS 85 -26.186 -5.562 -2.269 651 HD2 LYS 85 HD2 LYS 85 -25.717 -3.799 -0.392 652 HD3 LYS 85 HD3 LYS 85 -24.509 -3.140 -1.533 653 HE2 LYS 85 HE2 LYS 85 -26.407 -3.188 -3.259 654 HE3 LYS 85 HE3 LYS 85 -27.495 -3.446 -1.884 655 HZ1 LYS 85 HZ1 LYS 85 -25.723 -1.129 -2.339 656 HZ2 LYS 85 HZ2 LYS 85 -26.600 -1.344 -0.961 657 HZ3 LYS 85 HZ3 LYS 85 -27.353 -1.118 -2.424 Start of MODEL 14 1 H1 GLY 1 HN GLY 1 15.280 -1.651 -8.404 2 HA2 GLY 1 HA1 GLY 1 13.373 -1.133 -6.900 3 HA3 GLY 1 HA2 GLY 1 13.543 -2.797 -6.289 4 H SER 2 HN SER 2 13.853 -0.293 -4.813 5 HA SER 2 HA SER 2 16.794 -0.087 -4.347 6 HB2 SER 2 HB2 SER 2 14.546 1.705 -3.555 7 HB3 SER 2 HB3 SER 2 16.272 2.051 -3.315 8 HG SER 2 HG SER 2 15.040 1.557 -5.826 9 H GLU 3 HN GLU 3 16.871 0.814 -1.776 10 HA GLU 3 HA GLU 3 16.833 -1.599 -0.361 11 HB2 GLU 3 HB2 GLU 3 17.364 -0.168 1.593 12 HB3 GLU 3 HB3 GLU 3 18.376 0.113 0.190 13 HG2 GLU 3 HG2 GLU 3 15.994 1.921 0.433 14 HG3 GLU 3 HG3 GLU 3 17.199 2.061 1.711 15 H ASN 4 HN ASN 4 14.009 0.282 -0.978 16 HA ASN 4 HA ASN 4 12.716 -0.277 1.579 17 HB2 ASN 4 HB2 ASN 4 11.083 0.125 -0.909 18 HB3 ASN 4 HB3 ASN 4 10.769 0.588 0.736 19 HD21 ASN 4 HD21 ASN 4 12.353 1.462 -2.252 20 HD22 ASN 4 HD22 ASN 4 12.729 3.127 -1.798 21 H PHE 5 HN PHE 5 12.917 -1.737 -1.674 22 HA PHE 5 HA PHE 5 10.932 -3.606 -1.636 23 HB2 PHE 5 HB2 PHE 5 12.385 -3.152 -3.555 24 HB3 PHE 5 HB3 PHE 5 13.750 -3.893 -2.735 25 HD1 PHE 5 HD2 PHE 5 10.208 -4.792 -3.667 26 HD2 PHE 5 HD1 PHE 5 14.301 -6.071 -3.339 27 HE1 PHE 5 HE2 PHE 5 9.612 -6.995 -4.665 28 HE2 PHE 5 HE1 PHE 5 13.729 -8.205 -4.476 29 HZ PHE 5 HZ PHE 5 11.394 -8.662 -5.153 30 H GLN 6 HN GLN 6 14.260 -4.335 -0.511 31 HA GLN 6 HA GLN 6 13.689 -6.967 0.387 32 HB2 GLN 6 HB2 GLN 6 15.961 -6.176 0.024 33 HB3 GLN 6 HB3 GLN 6 15.771 -4.960 1.292 34 HG2 GLN 6 HG2 GLN 6 17.107 -6.808 2.129 35 HG3 GLN 6 HG3 GLN 6 15.604 -6.744 3.010 36 HE21 GLN 6 HE21 GLN 6 13.932 -8.376 2.500 37 HE22 GLN 6 HE22 GLN 6 14.446 -9.925 1.885 38 H THR 7 HN THR 7 13.520 -3.812 2.160 39 HA THR 7 HA THR 7 13.039 -5.092 4.663 40 HB THR 7 HB THR 7 12.374 -2.227 3.867 41 HG1 THR 7 HG1 THR 7 14.499 -1.757 4.212 42 HG21 THR 7 HG21 THR 7 13.203 -3.588 6.468 43 HG22 THR 7 HG22 THR 7 11.636 -2.836 6.127 44 HG23 THR 7 HG23 THR 7 13.105 -1.837 6.261 45 H LEU 8 HN LEU 8 10.868 -3.850 2.091 46 HA LEU 8 HA LEU 8 8.374 -4.173 3.459 47 HB2 LEU 8 HB2 LEU 8 9.284 -4.214 0.580 48 HB3 LEU 8 HB3 LEU 8 7.664 -4.671 0.970 49 HG LEU 8 HG LEU 8 6.970 -2.570 1.458 50 HD11 LEU 8 HD11 LEU 8 8.270 -0.620 2.153 51 HD12 LEU 8 HD12 LEU 8 9.751 -1.592 2.189 52 HD13 LEU 8 HD13 LEU 8 8.410 -1.939 3.303 53 HD21 LEU 8 HD21 LEU 8 7.824 -2.708 -0.887 54 HD22 LEU 8 HD22 LEU 8 9.371 -2.026 -0.351 55 HD23 LEU 8 HD23 LEU 8 7.906 -1.052 -0.273 56 H LEU 9 HN LEU 9 10.366 -6.440 1.575 57 HA LEU 9 HA LEU 9 8.552 -8.659 1.616 58 HB2 LEU 9 HB2 LEU 9 11.562 -8.389 1.378 59 HB3 LEU 9 HB3 LEU 9 10.795 -9.959 1.382 60 HG LEU 9 HG LEU 9 9.872 -7.803 -0.566 61 HD11 LEU 9 HD11 LEU 9 12.191 -9.731 -0.914 62 HD12 LEU 9 HD12 LEU 9 12.264 -7.955 -0.904 63 HD13 LEU 9 HD13 LEU 9 11.437 -8.781 -2.213 64 HD21 LEU 9 HD21 LEU 9 9.761 -10.846 -0.462 65 HD22 LEU 9 HD22 LEU 9 9.467 -9.932 -1.925 66 HD23 LEU 9 HD23 LEU 9 8.403 -9.700 -0.509 67 H ASP 10 HN ASP 10 10.699 -7.329 4.035 68 HA ASP 10 HA ASP 10 10.430 -9.730 5.790 69 HB2 ASP 10 HB2 ASP 10 12.616 -8.576 5.615 70 HB3 ASP 10 HB3 ASP 10 11.887 -7.109 6.263 71 H ALA 11 HN ALA 11 9.303 -6.412 5.462 72 HA ALA 11 HA ALA 11 7.995 -5.971 7.884 73 HB1 ALA 11 HB1 ALA 11 8.440 -4.285 6.067 74 HB2 ALA 11 HB2 ALA 11 7.122 -5.049 5.116 75 HB3 ALA 11 HB3 ALA 11 6.766 -4.258 6.647 76 H GLY 12 HN GLY 12 7.209 -8.209 5.403 77 HA2 GLY 12 HA1 GLY 12 5.766 -9.972 6.315 78 HA3 GLY 12 HA2 GLY 12 4.593 -8.748 6.701 79 H LEU 13 HN LEU 13 5.955 -8.051 3.644 80 HA LEU 13 HA LEU 13 3.350 -8.821 2.458 81 HB2 LEU 13 HB2 LEU 13 5.583 -7.008 1.470 82 HB3 LEU 13 HB3 LEU 13 4.002 -7.173 0.716 83 HG LEU 13 HG LEU 13 4.457 -6.115 3.549 84 HD11 LEU 13 HD11 LEU 13 3.879 -4.563 1.003 85 HD12 LEU 13 HD12 LEU 13 5.467 -4.688 1.804 86 HD13 LEU 13 HD13 LEU 13 4.119 -3.931 2.644 87 HD21 LEU 13 HD21 LEU 13 1.946 -6.156 1.807 88 HD22 LEU 13 HD22 LEU 13 2.119 -5.272 3.320 89 HD23 LEU 13 HD23 LEU 13 2.194 -7.042 3.327 90 HA PRO 14 HA PRO 14 5.216 -11.792 -0.333 91 HB2 PRO 14 HB2 PRO 14 3.523 -11.590 -2.520 92 HB3 PRO 14 HB3 PRO 14 3.074 -12.429 -1.015 93 HG2 PRO 14 HG2 PRO 14 2.402 -9.652 -1.860 94 HG3 PRO 14 HG3 PRO 14 1.342 -10.879 -1.089 95 HD2 PRO 14 HD2 PRO 14 2.465 -8.847 0.319 96 HD3 PRO 14 HD3 PRO 14 2.229 -10.472 1.028 97 H GLN 15 HN GLN 15 6.094 -11.882 -2.635 98 HA GLN 15 HA GLN 15 7.845 -9.677 -3.098 99 HB2 GLN 15 HB2 GLN 15 8.518 -11.949 -3.571 100 HB3 GLN 15 HB3 GLN 15 7.122 -12.236 -4.607 101 HG2 GLN 15 HG2 GLN 15 7.944 -10.886 -6.353 102 HG3 GLN 15 HG3 GLN 15 9.099 -10.058 -5.330 103 HE21 GLN 15 HE21 GLN 15 11.227 -11.148 -4.918 104 HE22 GLN 15 HE22 GLN 15 11.656 -12.512 -5.893 105 H LYS 16 HN LYS 16 4.883 -10.861 -4.558 106 HA LYS 16 HA LYS 16 5.036 -9.324 -6.813 107 HB2 LYS 16 HB2 LYS 16 2.562 -10.289 -5.297 108 HB3 LYS 16 HB3 LYS 16 2.401 -9.333 -6.760 109 HG2 LYS 16 HG2 LYS 16 2.164 -11.534 -7.409 110 HG3 LYS 16 HG3 LYS 16 3.712 -11.002 -8.033 111 HD2 LYS 16 HD2 LYS 16 4.847 -12.258 -6.140 112 HD3 LYS 16 HD3 LYS 16 3.238 -12.755 -5.568 113 HE2 LYS 16 HE2 LYS 16 3.930 -14.594 -6.834 114 HE3 LYS 16 HE3 LYS 16 2.887 -13.706 -7.937 115 HZ1 LYS 16 HZ1 LYS 16 5.827 -13.885 -7.959 116 HZ2 LYS 16 HZ2 LYS 16 5.093 -12.657 -8.719 117 HZ3 LYS 16 HZ3 LYS 16 4.782 -14.238 -9.161 118 H VAL 17 HN VAL 17 3.444 -8.507 -3.765 119 HA VAL 17 HA VAL 17 2.516 -5.903 -4.442 120 HB VAL 17 HB VAL 17 3.144 -7.367 -1.835 121 HG11 VAL 17 HG11 VAL 17 1.421 -4.878 -2.054 122 HG12 VAL 17 HG12 VAL 17 1.799 -5.804 -0.607 123 HG13 VAL 17 HG13 VAL 17 3.080 -4.892 -1.411 124 HG21 VAL 17 HG21 VAL 17 1.309 -8.363 -3.277 125 HG22 VAL 17 HG22 VAL 17 0.751 -7.774 -1.716 126 HG23 VAL 17 HG23 VAL 17 0.462 -6.811 -3.184 127 H ALA 18 HN ALA 18 5.482 -7.111 -2.662 128 HA ALA 18 HA ALA 18 6.576 -4.614 -2.112 129 HB1 ALA 18 HB1 ALA 18 7.362 -6.731 -1.128 130 HB2 ALA 18 HB2 ALA 18 8.054 -7.214 -2.695 131 HB3 ALA 18 HB3 ALA 18 8.705 -5.809 -1.829 132 H GLU 19 HN GLU 19 7.013 -6.551 -5.117 133 HA GLU 19 HA GLU 19 8.972 -4.953 -6.378 134 HB2 GLU 19 HB2 GLU 19 6.705 -6.713 -7.421 135 HB3 GLU 19 HB3 GLU 19 7.660 -5.756 -8.531 136 HG2 GLU 19 HG2 GLU 19 9.520 -7.173 -6.874 137 HG3 GLU 19 HG3 GLU 19 8.294 -8.334 -7.394 138 H LYS 20 HN LYS 20 5.440 -4.505 -6.187 139 HA LYS 20 HA LYS 20 5.500 -2.230 -8.073 140 HB2 LYS 20 HB2 LYS 20 3.353 -3.734 -6.570 141 HB3 LYS 20 HB3 LYS 20 3.021 -2.121 -7.197 142 HG2 LYS 20 HG2 LYS 20 2.281 -3.839 -8.752 143 HG3 LYS 20 HG3 LYS 20 3.523 -2.797 -9.469 144 HD2 LYS 20 HD2 LYS 20 5.229 -4.561 -9.080 145 HD3 LYS 20 HD3 LYS 20 3.981 -5.593 -8.355 146 HE2 LYS 20 HE2 LYS 20 2.817 -5.758 -10.462 147 HE3 LYS 20 HE3 LYS 20 3.851 -4.523 -11.198 148 HZ1 LYS 20 HZ1 LYS 20 4.871 -7.155 -10.255 149 HZ2 LYS 20 HZ2 LYS 20 5.707 -6.025 -11.087 150 HZ3 LYS 20 HZ3 LYS 20 4.486 -6.788 -11.806 151 H LEU 21 HN LEU 21 5.428 -2.788 -4.559 152 HA LEU 21 HA LEU 21 4.563 -0.106 -3.984 153 HB2 LEU 21 HB2 LEU 21 4.154 -2.119 -2.540 154 HB3 LEU 21 HB3 LEU 21 5.897 -2.190 -2.206 155 HG LEU 21 HG LEU 21 5.896 -0.082 -1.117 156 HD11 LEU 21 HD11 LEU 21 4.124 1.184 -2.231 157 HD12 LEU 21 HD12 LEU 21 3.810 1.113 -0.506 158 HD13 LEU 21 HD13 LEU 21 2.897 0.068 -1.592 159 HD21 LEU 21 HD21 LEU 21 4.711 -0.782 0.862 160 HD22 LEU 21 HD22 LEU 21 5.353 -2.221 0.055 161 HD23 LEU 21 HD23 LEU 21 3.650 -1.832 -0.129 162 H ASP 22 HN ASP 22 7.772 -1.722 -4.042 163 HA ASP 22 HA ASP 22 9.199 0.111 -2.495 164 HB2 ASP 22 HB2 ASP 22 10.247 -1.878 -3.142 165 HB3 ASP 22 HB3 ASP 22 9.937 -1.620 -4.848 166 H GLU 23 HN GLU 23 8.289 0.457 -5.956 167 HA GLU 23 HA GLU 23 9.830 2.604 -6.748 168 HB2 GLU 23 HB2 GLU 23 8.779 0.885 -8.117 169 HB3 GLU 23 HB3 GLU 23 7.189 1.233 -7.425 170 HG2 GLU 23 HG2 GLU 23 7.303 3.471 -8.379 171 HG3 GLU 23 HG3 GLU 23 8.807 3.043 -9.238 172 H ILE 24 HN ILE 24 6.788 2.379 -4.878 173 HA ILE 24 HA ILE 24 5.723 4.988 -5.317 174 HB ILE 24 HB ILE 24 5.465 3.187 -2.909 175 HG12 ILE 24 HG12 ILE 24 4.852 1.923 -4.924 176 HG13 ILE 24 HG13 ILE 24 3.470 2.306 -3.935 177 HG21 ILE 24 HG21 ILE 24 4.646 5.393 -2.418 178 HG22 ILE 24 HG22 ILE 24 3.630 5.402 -3.865 179 HG23 ILE 24 HG23 ILE 24 3.317 4.243 -2.543 180 HD11 ILE 24 HD11 ILE 24 4.198 3.677 -6.502 181 HD12 ILE 24 HD12 ILE 24 2.954 2.436 -6.266 182 HD13 ILE 24 HD13 ILE 24 2.747 4.018 -5.500 183 H TYR 25 HN TYR 25 8.129 3.635 -3.053 184 HA TYR 25 HA TYR 25 8.377 6.147 -1.560 185 HB2 TYR 25 HB2 TYR 25 10.009 3.589 -1.413 186 HB3 TYR 25 HB3 TYR 25 10.033 4.911 -0.249 187 HD1 TYR 25 HD2 TYR 25 7.384 5.603 0.383 188 HD2 TYR 25 HD1 TYR 25 8.858 1.682 -0.605 189 HE1 TYR 25 HE2 TYR 25 5.411 4.621 1.486 190 HE2 TYR 25 HE1 TYR 25 6.909 0.666 0.558 191 HH TYR 25 HH TYR 25 5.153 1.283 2.252 192 H VAL 26 HN VAL 26 10.356 4.223 -3.871 193 HA VAL 26 HA VAL 26 12.627 5.856 -3.914 194 HB VAL 26 HB VAL 26 11.352 4.263 -6.191 195 HG11 VAL 26 HG11 VAL 26 12.986 5.812 -7.162 196 HG12 VAL 26 HG12 VAL 26 14.184 5.385 -5.932 197 HG13 VAL 26 HG13 VAL 26 13.678 4.185 -7.141 198 HG21 VAL 26 HG21 VAL 26 11.957 2.922 -4.167 199 HG22 VAL 26 HG22 VAL 26 12.959 2.526 -5.549 200 HG23 VAL 26 HG23 VAL 26 13.592 3.582 -4.249 201 H ALA 27 HN ALA 27 9.619 6.240 -5.855 202 HA ALA 27 HA ALA 27 10.679 8.451 -7.374 203 HB1 ALA 27 HB1 ALA 27 9.006 6.996 -8.260 204 HB2 ALA 27 HB2 ALA 27 7.864 7.381 -6.966 205 HB3 ALA 27 HB3 ALA 27 8.307 8.629 -8.160 206 H GLY 28 HN GLY 28 9.983 8.435 -4.135 207 HA2 GLY 28 HA1 GLY 28 9.965 10.096 -2.668 208 HA3 GLY 28 HA2 GLY 28 10.133 11.248 -4.006 209 H LEU 29 HN LEU 29 7.389 8.975 -3.578 210 HA LEU 29 HA LEU 29 5.503 11.265 -3.388 211 HB2 LEU 29 HB2 LEU 29 4.959 8.270 -3.369 212 HB3 LEU 29 HB3 LEU 29 3.771 9.556 -3.223 213 HG LEU 29 HG LEU 29 5.214 10.352 -5.487 214 HD11 LEU 29 HD11 LEU 29 5.381 8.409 -6.943 215 HD12 LEU 29 HD12 LEU 29 4.896 7.331 -5.584 216 HD13 LEU 29 HD13 LEU 29 6.412 8.234 -5.528 217 HD21 LEU 29 HD21 LEU 29 2.821 10.472 -5.211 218 HD22 LEU 29 HD22 LEU 29 2.666 8.704 -5.338 219 HD23 LEU 29 HD23 LEU 29 3.211 9.667 -6.731 220 H VAL 30 HN VAL 30 5.523 8.287 -1.517 221 HA VAL 30 HA VAL 30 5.377 9.871 1.033 222 HB VAL 30 HB VAL 30 4.347 7.733 1.920 223 HG11 VAL 30 HG11 VAL 30 2.819 9.140 -0.306 224 HG12 VAL 30 HG12 VAL 30 2.137 8.236 1.077 225 HG13 VAL 30 HG13 VAL 30 3.042 9.742 1.352 226 HG21 VAL 30 HG21 VAL 30 3.372 6.139 0.421 227 HG22 VAL 30 HG22 VAL 30 3.834 7.073 -1.010 228 HG23 VAL 30 HG23 VAL 30 5.082 6.271 -0.040 229 H ALA 31 HN ALA 31 6.223 8.436 2.998 230 HA ALA 31 HA ALA 31 8.961 7.538 2.260 231 HB1 ALA 31 HB1 ALA 31 7.748 8.295 4.953 232 HB2 ALA 31 HB2 ALA 31 9.454 7.907 4.629 233 HB3 ALA 31 HB3 ALA 31 8.725 9.354 3.918 234 H HIS 32 HN HIS 32 9.812 5.643 3.254 235 HA HIS 32 HA HIS 32 8.199 3.341 3.169 236 HB2 HIS 32 HB2 HIS 32 10.161 2.177 3.722 237 HB3 HIS 32 HB3 HIS 32 10.732 3.591 2.854 238 HD1 HIS 32 HD1 HIS 32 10.923 1.848 6.182 239 HD2 HIS 32 HD2 HIS 32 11.659 5.703 4.653 240 HE1 HIS 32 HE1 HIS 32 12.176 3.096 7.986 241 H SER 33 HN SER 33 8.324 5.585 5.716 242 HA SER 33 HA SER 33 7.582 3.619 7.828 243 HB2 SER 33 HB2 SER 33 9.883 4.834 7.818 244 HB3 SER 33 HB3 SER 33 8.973 6.284 8.260 245 HG SER 33 HG SER 33 9.955 4.817 9.935 246 H ASP 34 HN ASP 34 6.103 5.627 5.774 247 HA ASP 34 HA ASP 34 5.121 7.706 7.408 248 HB2 ASP 34 HB2 ASP 34 4.936 6.905 4.648 249 HB3 ASP 34 HB3 ASP 34 3.318 7.216 5.180 250 H LEU 35 HN LEU 35 4.110 4.450 7.390 251 HA LEU 35 HA LEU 35 1.256 5.062 7.594 252 HB2 LEU 35 HB2 LEU 35 2.774 2.427 7.326 253 HB3 LEU 35 HB3 LEU 35 1.043 2.613 7.266 254 HG LEU 35 HG LEU 35 1.760 2.342 5.079 255 HD11 LEU 35 HD11 LEU 35 1.230 5.323 5.374 256 HD12 LEU 35 HD12 LEU 35 -0.003 4.031 5.409 257 HD13 LEU 35 HD13 LEU 35 0.952 4.319 3.950 258 HD21 LEU 35 HD21 LEU 35 4.169 3.058 5.470 259 HD22 LEU 35 HD22 LEU 35 3.635 4.706 5.098 260 HD23 LEU 35 HD23 LEU 35 3.452 3.413 3.898 261 H ASP 36 HN ASP 36 -0.116 4.082 9.120 262 HA ASP 36 HA ASP 36 1.001 3.999 11.849 263 HB2 ASP 36 HB2 ASP 36 -1.866 3.626 10.887 264 HB3 ASP 36 HB3 ASP 36 -1.356 3.737 12.564 265 H GLU 37 HN GLU 37 0.500 2.120 13.209 266 HA GLU 37 HA GLU 37 1.320 -0.277 12.049 267 HB2 GLU 37 HB2 GLU 37 1.456 0.551 14.457 268 HB3 GLU 37 HB3 GLU 37 -0.190 -0.063 14.663 269 HG2 GLU 37 HG2 GLU 37 0.597 -2.344 14.019 270 HG3 GLU 37 HG3 GLU 37 2.216 -1.676 13.701 271 H ARG 38 HN ARG 38 -1.967 0.894 12.546 272 HA ARG 38 HA ARG 38 -3.312 -1.618 12.038 273 HB2 ARG 38 HB2 ARG 38 -4.487 1.090 11.325 274 HB3 ARG 38 HB3 ARG 38 -5.309 -0.410 11.755 275 HG2 ARG 38 HG2 ARG 38 -4.027 -0.063 14.081 276 HG3 ARG 38 HG3 ARG 38 -3.916 1.606 13.503 277 HD2 ARG 38 HD2 ARG 38 -5.896 1.604 14.723 278 HD3 ARG 38 HD3 ARG 38 -6.478 1.424 13.050 279 HE ARG 38 HE ARG 38 -6.098 -1.180 13.966 280 HH11 ARG 38 HH11 ARG 38 -8.230 1.441 14.821 281 HH12 ARG 38 HH12 ARG 38 -8.985 0.669 16.164 282 HH21 ARG 38 HH21 ARG 38 -6.771 -2.099 15.916 283 HH22 ARG 38 HH22 ARG 38 -8.202 -1.540 16.716 284 H ALA 39 HN ALA 39 -1.832 0.746 9.922 285 HA ALA 39 HA ALA 39 -3.284 -0.152 7.533 286 HB1 ALA 39 HB1 ALA 39 -2.526 2.224 7.768 287 HB2 ALA 39 HB2 ALA 39 -0.851 1.651 7.786 288 HB3 ALA 39 HB3 ALA 39 -1.865 1.413 6.344 289 H ILE 40 HN ILE 40 -0.214 -0.743 9.234 290 HA ILE 40 HA ILE 40 0.898 -2.471 7.213 291 HB ILE 40 HB ILE 40 1.248 -2.845 10.197 292 HG12 ILE 40 HG12 ILE 40 1.667 -0.524 9.924 293 HG13 ILE 40 HG13 ILE 40 3.141 -1.414 10.189 294 HG21 ILE 40 HG21 ILE 40 3.470 -3.676 9.627 295 HG22 ILE 40 HG22 ILE 40 2.218 -4.623 8.816 296 HG23 ILE 40 HG23 ILE 40 3.159 -3.418 7.904 297 HD11 ILE 40 HD11 ILE 40 3.477 0.394 8.631 298 HD12 ILE 40 HD12 ILE 40 3.776 -1.162 7.836 299 HD13 ILE 40 HD13 ILE 40 2.256 -0.266 7.539 300 H GLU 41 HN GLU 41 -0.984 -3.190 10.179 301 HA GLU 41 HA GLU 41 -1.189 -5.945 9.849 302 HB2 GLU 41 HB2 GLU 41 -1.673 -4.657 11.916 303 HB3 GLU 41 HB3 GLU 41 -3.083 -3.927 11.143 304 HG2 GLU 41 HG2 GLU 41 -3.974 -6.351 10.899 305 HG3 GLU 41 HG3 GLU 41 -2.720 -6.800 12.058 306 H ALA 42 HN ALA 42 -3.559 -3.418 8.783 307 HA ALA 42 HA ALA 42 -5.472 -5.327 7.894 308 HB1 ALA 42 HB1 ALA 42 -6.513 -3.407 6.715 309 HB2 ALA 42 HB2 ALA 42 -6.112 -3.084 8.425 310 HB3 ALA 42 HB3 ALA 42 -5.077 -2.426 7.125 311 H LEU 43 HN LEU 43 -2.646 -3.878 6.193 312 HA LEU 43 HA LEU 43 -3.247 -4.768 3.624 313 HB2 LEU 43 HB2 LEU 43 -0.975 -3.803 5.192 314 HB3 LEU 43 HB3 LEU 43 -0.399 -5.072 4.152 315 HG LEU 43 HG LEU 43 -2.157 -2.759 3.331 316 HD11 LEU 43 HD11 LEU 43 -0.048 -1.960 4.113 317 HD12 LEU 43 HD12 LEU 43 -0.093 -1.751 2.361 318 HD13 LEU 43 HD13 LEU 43 0.834 -3.098 3.104 319 HD21 LEU 43 HD21 LEU 43 -1.472 -3.333 0.977 320 HD22 LEU 43 HD22 LEU 43 -2.222 -4.740 1.724 321 HD23 LEU 43 HD23 LEU 43 -0.467 -4.682 1.604 322 H LYS 44 HN LYS 44 -1.679 -6.528 6.282 323 HA LYS 44 HA LYS 44 -1.233 -9.008 5.042 324 HB2 LYS 44 HB2 LYS 44 -1.188 -7.919 7.715 325 HB3 LYS 44 HB3 LYS 44 -2.208 -9.343 7.771 326 HG2 LYS 44 HG2 LYS 44 -0.084 -10.089 8.300 327 HG3 LYS 44 HG3 LYS 44 -0.287 -10.614 6.640 328 HD2 LYS 44 HD2 LYS 44 1.367 -9.177 5.840 329 HD3 LYS 44 HD3 LYS 44 0.966 -7.906 6.983 330 HE2 LYS 44 HE2 LYS 44 3.018 -8.556 7.713 331 HE3 LYS 44 HE3 LYS 44 1.901 -9.286 8.851 332 HZ1 LYS 44 HZ1 LYS 44 3.721 -10.767 8.013 333 HZ2 LYS 44 HZ2 LYS 44 3.021 -10.758 6.517 334 HZ3 LYS 44 HZ3 LYS 44 2.256 -11.407 7.847 335 H GLU 45 HN GLU 45 -4.405 -7.600 5.716 336 HA GLU 45 HA GLU 45 -5.676 -10.202 6.052 337 HB2 GLU 45 HB2 GLU 45 -6.923 -7.474 5.667 338 HB3 GLU 45 HB3 GLU 45 -7.789 -8.950 6.073 339 HG2 GLU 45 HG2 GLU 45 -6.556 -9.148 8.182 340 HG3 GLU 45 HG3 GLU 45 -5.611 -7.705 7.799 341 H PHE 46 HN PHE 46 -4.602 -8.494 3.298 342 HA PHE 46 HA PHE 46 -6.670 -9.524 1.471 343 HB2 PHE 46 HB2 PHE 46 -4.246 -7.708 1.124 344 HB3 PHE 46 HB3 PHE 46 -5.245 -8.271 -0.202 345 HD1 PHE 46 HD1 PHE 46 -5.192 -6.048 2.789 346 HD2 PHE 46 HD2 PHE 46 -7.393 -7.256 -0.728 347 HE1 PHE 46 HE1 PHE 46 -6.707 -4.154 3.089 348 HE2 PHE 46 HE2 PHE 46 -8.916 -5.368 -0.420 349 HZ PHE 46 HZ PHE 46 -8.630 -3.804 1.479 350 H ASN 47 HN ASN 47 -5.750 -10.470 -0.491 351 HA ASN 47 HA ASN 47 -3.501 -12.386 -0.090 352 HB2 ASN 47 HB2 ASN 47 -4.345 -13.661 -1.961 353 HB3 ASN 47 HB3 ASN 47 -5.657 -13.413 -0.858 354 HD21 ASN 47 HD21 ASN 47 -5.299 -13.698 -4.031 355 HD22 ASN 47 HD22 ASN 47 -6.549 -12.566 -4.514 356 H GLU 48 HN GLU 48 -2.548 -12.785 -2.536 357 HA GLU 48 HA GLU 48 -0.942 -10.761 -3.292 358 HB2 GLU 48 HB2 GLU 48 -1.041 -13.275 -3.766 359 HB3 GLU 48 HB3 GLU 48 -2.155 -12.933 -5.076 360 HG2 GLU 48 HG2 GLU 48 -0.387 -11.456 -6.067 361 HG3 GLU 48 HG3 GLU 48 0.667 -11.940 -4.713 362 H ASP 49 HN ASP 49 -3.869 -11.769 -5.188 363 HA ASP 49 HA ASP 49 -3.745 -9.534 -6.961 364 HB2 ASP 49 HB2 ASP 49 -4.971 -11.726 -7.351 365 HB3 ASP 49 HB3 ASP 49 -6.186 -11.151 -6.215 366 H GLY 50 HN GLY 50 -5.461 -10.092 -3.903 367 HA2 GLY 50 HA1 GLY 50 -7.108 -7.859 -3.679 368 HA3 GLY 50 HA2 GLY 50 -6.262 -8.662 -2.360 369 H ALA 51 HN ALA 51 -3.900 -8.109 -2.126 370 HA ALA 51 HA ALA 51 -3.680 -5.360 -1.510 371 HB1 ALA 51 HB1 ALA 51 -2.467 -7.093 -0.293 372 HB2 ALA 51 HB2 ALA 51 -1.555 -7.507 -1.762 373 HB3 ALA 51 HB3 ALA 51 -1.323 -5.926 -0.981 374 H LEU 52 HN LEU 52 -2.305 -7.229 -4.270 375 HA LEU 52 HA LEU 52 -0.684 -5.138 -5.349 376 HB2 LEU 52 HB2 LEU 52 -0.590 -7.624 -5.777 377 HB3 LEU 52 HB3 LEU 52 -2.075 -7.469 -6.711 378 HG LEU 52 HG LEU 52 -0.819 -5.876 -8.243 379 HD11 LEU 52 HD11 LEU 52 1.678 -6.073 -8.178 380 HD12 LEU 52 HD12 LEU 52 1.547 -6.833 -6.579 381 HD13 LEU 52 HD13 LEU 52 1.009 -5.156 -6.831 382 HD21 LEU 52 HD21 LEU 52 0.399 -7.722 -9.374 383 HD22 LEU 52 HD22 LEU 52 -1.186 -8.253 -8.794 384 HD23 LEU 52 HD23 LEU 52 0.270 -8.709 -7.892 385 H ALA 53 HN ALA 53 -4.200 -5.976 -5.819 386 HA ALA 53 HA ALA 53 -4.575 -3.919 -7.794 387 HB1 ALA 53 HB1 ALA 53 -6.181 -5.777 -7.501 388 HB2 ALA 53 HB2 ALA 53 -6.590 -5.137 -5.886 389 HB3 ALA 53 HB3 ALA 53 -6.946 -4.189 -7.338 390 H VAL 54 HN VAL 54 -4.986 -3.990 -4.203 391 HA VAL 54 HA VAL 54 -5.884 -1.319 -3.971 392 HB VAL 54 HB VAL 54 -4.161 -2.676 -1.883 393 HG11 VAL 54 HG11 VAL 54 -5.486 -1.557 -0.261 394 HG12 VAL 54 HG12 VAL 54 -5.004 -0.323 -1.439 395 HG13 VAL 54 HG13 VAL 54 -6.646 -0.997 -1.473 396 HG21 VAL 54 HG21 VAL 54 -6.700 -3.333 -1.041 397 HG22 VAL 54 HG22 VAL 54 -6.887 -3.517 -2.785 398 HG23 VAL 54 HG23 VAL 54 -5.634 -4.414 -1.896 399 H LEU 55 HN LEU 55 -2.709 -2.431 -4.826 400 HA LEU 55 HA LEU 55 -1.284 0.028 -4.067 401 HB2 LEU 55 HB2 LEU 55 -0.479 -2.346 -5.803 402 HB3 LEU 55 HB3 LEU 55 0.513 -0.935 -5.567 403 HG LEU 55 HG LEU 55 -0.269 -2.919 -3.406 404 HD11 LEU 55 HD11 LEU 55 1.433 -3.710 -4.984 405 HD12 LEU 55 HD12 LEU 55 2.200 -3.326 -3.428 406 HD13 LEU 55 HD13 LEU 55 2.357 -2.206 -4.783 407 HD21 LEU 55 HD21 LEU 55 1.379 -0.362 -3.242 408 HD22 LEU 55 HD22 LEU 55 1.334 -1.633 -1.985 409 HD23 LEU 55 HD23 LEU 55 -0.125 -0.718 -2.361 410 H GLN 56 HN GLN 56 -2.529 -1.535 -7.034 411 HA GLN 56 HA GLN 56 -1.580 0.277 -8.871 412 HB2 GLN 56 HB2 GLN 56 -2.795 -0.876 -10.403 413 HB3 GLN 56 HB3 GLN 56 -2.858 -2.009 -9.067 414 HG2 GLN 56 HG2 GLN 56 -5.176 -0.639 -8.589 415 HG3 GLN 56 HG3 GLN 56 -5.026 -0.320 -10.294 416 HE21 GLN 56 HE21 GLN 56 -3.718 -3.290 -10.535 417 HE22 GLN 56 HE22 GLN 56 -5.171 -4.264 -10.406 418 H GLN 57 HN GLN 57 -4.408 0.607 -6.821 419 HA GLN 57 HA GLN 57 -5.314 3.029 -8.225 420 HB2 GLN 57 HB2 GLN 57 -6.684 1.138 -6.906 421 HB3 GLN 57 HB3 GLN 57 -6.492 2.285 -5.577 422 HG2 GLN 57 HG2 GLN 57 -7.385 4.083 -7.161 423 HG3 GLN 57 HG3 GLN 57 -7.706 2.798 -8.314 424 HE21 GLN 57 HE21 GLN 57 -8.913 0.788 -6.887 425 HE22 GLN 57 HE22 GLN 57 -10.411 1.412 -6.205 426 H PHE 58 HN PHE 58 -3.364 2.267 -5.453 427 HA PHE 58 HA PHE 58 -3.576 4.774 -4.045 428 HB2 PHE 58 HB2 PHE 58 -2.817 2.704 -3.010 429 HB3 PHE 58 HB3 PHE 58 -1.380 2.683 -4.024 430 HD1 PHE 58 HD1 PHE 58 -3.094 4.494 -1.232 431 HD2 PHE 58 HD2 PHE 58 0.516 4.131 -3.588 432 HE1 PHE 58 HE1 PHE 58 -1.847 5.862 0.418 433 HE2 PHE 58 HE2 PHE 58 1.693 5.614 -1.976 434 HZ PHE 58 HZ PHE 58 0.522 6.421 0.029 435 H LYS 59 HN LYS 59 -1.543 3.707 -6.749 436 HA LYS 59 HA LYS 59 -0.103 6.287 -6.794 437 HB2 LYS 59 HB2 LYS 59 1.026 4.257 -7.603 438 HB3 LYS 59 HB3 LYS 59 -0.212 4.053 -8.842 439 HG2 LYS 59 HG2 LYS 59 1.871 5.019 -9.735 440 HG3 LYS 59 HG3 LYS 59 0.492 6.059 -9.987 441 HD2 LYS 59 HD2 LYS 59 2.374 7.418 -9.404 442 HD3 LYS 59 HD3 LYS 59 1.228 7.519 -8.090 443 HE2 LYS 59 HE2 LYS 59 3.456 7.360 -7.180 444 HE3 LYS 59 HE3 LYS 59 2.585 5.886 -6.782 445 HZ1 LYS 59 HZ1 LYS 59 4.463 6.080 -9.096 446 HZ2 LYS 59 HZ2 LYS 59 3.745 4.743 -8.560 447 HZ3 LYS 59 HZ3 LYS 59 4.870 5.477 -7.639 448 H ASP 60 HN ASP 60 -3.131 5.054 -7.989 449 HA ASP 60 HA ASP 60 -3.410 7.029 -10.119 450 HB2 ASP 60 HB2 ASP 60 -4.317 4.629 -10.119 451 HB3 ASP 60 HB3 ASP 60 -5.522 5.160 -8.960 452 H SER 61 HN SER 61 -2.876 8.478 -7.813 453 HA SER 61 HA SER 61 -5.086 10.211 -7.696 454 HB2 SER 61 HB2 SER 61 -4.600 8.494 -5.232 455 HB3 SER 61 HB3 SER 61 -5.317 10.112 -5.110 456 HG SER 61 HG SER 61 -6.291 8.303 -6.991 457 H ASP 62 HN ASP 62 -4.585 11.808 -5.701 458 HA ASP 62 HA ASP 62 -2.179 13.091 -6.737 459 HB2 ASP 62 HB2 ASP 62 -4.109 15.040 -6.558 460 HB3 ASP 62 HB3 ASP 62 -3.704 14.108 -7.990 461 H LEU 63 HN LEU 63 -1.392 12.206 -4.703 462 HA LEU 63 HA LEU 63 -2.467 12.812 -2.159 463 HB2 LEU 63 HB2 LEU 63 0.374 12.011 -2.840 464 HB3 LEU 63 HB3 LEU 63 -0.445 11.832 -1.273 465 HG LEU 63 HG LEU 63 -1.655 10.403 -3.657 466 HD11 LEU 63 HD11 LEU 63 0.808 9.421 -2.176 467 HD12 LEU 63 HD12 LEU 63 0.698 9.858 -3.895 468 HD13 LEU 63 HD13 LEU 63 -0.219 8.462 -3.284 469 HD21 LEU 63 HD21 LEU 63 -2.786 10.289 -1.465 470 HD22 LEU 63 HD22 LEU 63 -1.291 9.734 -0.719 471 HD23 LEU 63 HD23 LEU 63 -2.132 8.702 -1.899 472 H SER 64 HN SER 64 -1.466 15.065 -3.992 473 HA SER 64 HA SER 64 0.553 16.627 -2.591 474 HB2 SER 64 HB2 SER 64 0.216 16.621 -5.064 475 HB3 SER 64 HB3 SER 64 -1.403 17.277 -4.834 476 HG SER 64 HG SER 64 -0.544 19.109 -4.881 477 H HIS 65 HN HIS 65 -2.735 15.971 -1.995 478 HA HIS 65 HA HIS 65 -2.785 18.207 -0.052 479 HB2 HIS 65 HB2 HIS 65 -5.061 17.347 -1.860 480 HB3 HIS 65 HB3 HIS 65 -5.293 18.330 -0.411 481 HD1 HIS 65 HD1 HIS 65 -5.408 19.069 -3.780 482 HD2 HIS 65 HD2 HIS 65 -3.076 20.509 -0.572 483 HE1 HIS 65 HE1 HIS 65 -4.747 21.464 -4.378 484 H VAL 66 HN VAL 66 -1.802 15.516 0.309 485 HA VAL 66 HA VAL 66 -3.682 15.019 2.490 486 HB VAL 66 HB VAL 66 -3.910 13.237 0.641 487 HG11 VAL 66 HG11 VAL 66 -1.562 12.775 0.285 488 HG12 VAL 66 HG12 VAL 66 -1.484 12.002 1.884 489 HG13 VAL 66 HG13 VAL 66 -2.575 11.358 0.636 490 HG21 VAL 66 HG21 VAL 66 -4.202 11.576 2.559 491 HG22 VAL 66 HG22 VAL 66 -3.218 12.632 3.599 492 HG23 VAL 66 HG23 VAL 66 -4.807 13.170 2.997 493 H GLN 67 HN GLN 67 -2.828 15.239 4.334 494 HA GLN 67 HA GLN 67 0.089 15.342 4.690 495 HB2 GLN 67 HB2 GLN 67 -1.348 16.992 5.773 496 HB3 GLN 67 HB3 GLN 67 -2.295 15.719 6.547 497 HG2 GLN 67 HG2 GLN 67 0.646 15.822 6.969 498 HG3 GLN 67 HG3 GLN 67 -0.337 17.029 7.830 499 HE21 GLN 67 HE21 GLN 67 -2.426 15.798 8.904 500 HE22 GLN 67 HE22 GLN 67 -1.966 14.331 9.760 501 H ASN 68 HN ASN 68 -2.758 13.603 6.055 502 HA ASN 68 HA ASN 68 -0.999 11.712 7.394 503 HB2 ASN 68 HB2 ASN 68 -3.072 12.542 8.469 504 HB3 ASN 68 HB3 ASN 68 -4.034 11.659 7.273 505 HD21 ASN 68 HD21 ASN 68 -2.689 11.356 10.314 506 HD22 ASN 68 HD22 ASN 68 -2.992 9.591 10.322 507 H LYS 69 HN LYS 69 0.009 10.367 6.095 508 HA LYS 69 HA LYS 69 -1.122 9.378 3.643 509 HB2 LYS 69 HB2 LYS 69 1.301 8.378 5.196 510 HB3 LYS 69 HB3 LYS 69 1.005 8.190 3.468 511 HG2 LYS 69 HG2 LYS 69 1.749 10.734 4.939 512 HG3 LYS 69 HG3 LYS 69 2.626 9.880 3.675 513 HD2 LYS 69 HD2 LYS 69 0.679 10.395 2.122 514 HD3 LYS 69 HD3 LYS 69 0.086 11.505 3.363 515 HE2 LYS 69 HE2 LYS 69 2.101 12.802 3.334 516 HE3 LYS 69 HE3 LYS 69 2.919 11.656 2.277 517 HZ1 LYS 69 HZ1 LYS 69 2.315 13.474 1.014 518 HZ2 LYS 69 HZ2 LYS 69 0.760 13.525 1.552 519 HZ3 LYS 69 HZ3 LYS 69 1.280 12.312 0.538 520 H SER 70 HN SER 70 -1.099 8.179 6.915 521 HA SER 70 HA SER 70 -1.361 5.398 6.371 522 HB2 SER 70 HB2 SER 70 -2.423 6.805 8.841 523 HB3 SER 70 HB3 SER 70 -1.816 5.137 8.659 524 HG SER 70 HG SER 70 -0.313 6.649 9.645 525 H ALA 71 HN ALA 71 -3.768 7.828 7.346 526 HA ALA 71 HA ALA 71 -6.039 6.144 7.184 527 HB1 ALA 71 HB1 ALA 71 -5.812 9.179 6.922 528 HB2 ALA 71 HB2 ALA 71 -7.309 8.285 7.256 529 HB3 ALA 71 HB3 ALA 71 -5.972 8.292 8.441 530 H PHE 72 HN PHE 72 -4.381 8.169 4.725 531 HA PHE 72 HA PHE 72 -6.408 7.901 2.722 532 HB2 PHE 72 HB2 PHE 72 -4.465 9.488 2.736 533 HB3 PHE 72 HB3 PHE 72 -3.399 8.162 2.317 534 HD1 PHE 72 HD1 PHE 72 -3.818 6.889 0.113 535 HD2 PHE 72 HD2 PHE 72 -5.795 10.601 1.066 536 HE1 PHE 72 HE1 PHE 72 -4.461 7.149 -2.245 537 HE2 PHE 72 HE2 PHE 72 -6.482 10.844 -1.271 538 HZ PHE 72 HZ PHE 72 -5.853 9.083 -2.958 539 H LEU 73 HN LEU 73 -3.511 5.952 3.488 540 HA LEU 73 HA LEU 73 -3.722 4.152 1.282 541 HB2 LEU 73 HB2 LEU 73 -1.700 4.503 2.594 542 HB3 LEU 73 HB3 LEU 73 -2.413 3.871 4.033 543 HG LEU 73 HG LEU 73 -2.729 1.658 2.720 544 HD11 LEU 73 HD11 LEU 73 -1.132 1.377 0.812 545 HD12 LEU 73 HD12 LEU 73 -0.788 3.121 0.892 546 HD13 LEU 73 HD13 LEU 73 -2.412 2.556 0.454 547 HD21 LEU 73 HD21 LEU 73 -0.560 0.847 3.180 548 HD22 LEU 73 HD22 LEU 73 -0.918 2.053 4.429 549 HD23 LEU 73 HD23 LEU 73 0.164 2.455 3.068 550 H CYS 74 HN CYS 74 -4.700 3.899 4.642 551 HA CYS 74 HA CYS 74 -6.198 1.476 4.596 552 HB2 CYS 74 HB2 CYS 74 -6.143 4.000 6.263 553 HB3 CYS 74 HB3 CYS 74 -7.487 2.906 6.479 554 HG CYS 74 HG CYS 74 -6.180 0.769 7.024 555 H GLY 75 HN GLY 75 -7.164 4.778 3.556 556 HA2 GLY 75 HA1 GLY 75 -9.929 4.338 3.231 557 HA3 GLY 75 HA2 GLY 75 -8.932 5.492 2.334 558 H VAL 76 HN VAL 76 -7.232 3.945 0.859 559 HA VAL 76 HA VAL 76 -8.875 2.910 -1.221 560 HB VAL 76 HB VAL 76 -5.923 2.266 -0.784 561 HG11 VAL 76 HG11 VAL 76 -5.863 2.105 -3.247 562 HG12 VAL 76 HG12 VAL 76 -6.965 0.924 -2.566 563 HG13 VAL 76 HG13 VAL 76 -7.621 2.392 -3.316 564 HG21 VAL 76 HG21 VAL 76 -6.165 4.715 -0.759 565 HG22 VAL 76 HG22 VAL 76 -5.548 4.219 -2.343 566 HG23 VAL 76 HG23 VAL 76 -7.258 4.626 -2.159 567 H MET 77 HN MET 77 -7.107 1.182 1.443 568 HA MET 77 HA MET 77 -7.823 -1.453 0.671 569 HB2 MET 77 HB2 MET 77 -7.778 -0.402 3.535 570 HB3 MET 77 HB3 MET 77 -7.768 -2.080 3.027 571 HG2 MET 77 HG2 MET 77 -5.565 -1.804 2.000 572 HG3 MET 77 HG3 MET 77 -5.605 -0.091 2.426 573 HE1 MET 77 HE1 MET 77 -4.007 0.596 4.178 574 HE2 MET 77 HE2 MET 77 -3.110 -0.618 5.101 575 HE3 MET 77 HE3 MET 77 -3.171 -0.724 3.328 576 H LYS 78 HN LYS 78 -9.682 0.977 2.535 577 HA LYS 78 HA LYS 78 -11.664 -0.870 3.296 578 HB2 LYS 78 HB2 LYS 78 -11.040 1.332 4.364 579 HB3 LYS 78 HB3 LYS 78 -12.017 2.151 3.148 580 HG2 LYS 78 HG2 LYS 78 -14.011 1.443 4.109 581 HG3 LYS 78 HG3 LYS 78 -13.362 -0.152 4.490 582 HD2 LYS 78 HD2 LYS 78 -11.976 1.074 6.331 583 HD3 LYS 78 HD3 LYS 78 -13.167 2.378 6.121 584 HE2 LYS 78 HE2 LYS 78 -14.991 0.780 6.582 585 HE3 LYS 78 HE3 LYS 78 -13.834 -0.558 6.622 586 HZ1 LYS 78 HZ1 LYS 78 -14.367 0.103 8.826 587 HZ2 LYS 78 HZ2 LYS 78 -13.920 1.670 8.534 588 HZ3 LYS 78 HZ3 LYS 78 -12.797 0.446 8.538 589 H THR 79 HN THR 79 -11.521 1.105 0.306 590 HA THR 79 HA THR 79 -14.248 0.245 -0.383 591 HB THR 79 HB THR 79 -13.408 2.331 -1.260 592 HG1 THR 79 HG1 THR 79 -13.702 1.423 -3.658 593 HG21 THR 79 HG21 THR 79 -11.828 2.469 -3.129 594 HG22 THR 79 HG22 THR 79 -11.368 0.775 -2.878 595 HG23 THR 79 HG23 THR 79 -11.069 1.997 -1.617 596 H TYR 80 HN TYR 80 -10.889 -0.869 -1.250 597 HA TYR 80 HA TYR 80 -11.787 -2.905 -2.963 598 HB2 TYR 80 HB2 TYR 80 -9.250 -2.433 -1.406 599 HB3 TYR 80 HB3 TYR 80 -9.491 -3.989 -2.170 600 HD1 TYR 80 HD2 TYR 80 -9.966 -4.174 -4.638 601 HD2 TYR 80 HD1 TYR 80 -8.600 -0.559 -2.776 602 HE1 TYR 80 HE2 TYR 80 -9.122 -3.391 -6.817 603 HE2 TYR 80 HE1 TYR 80 -7.730 0.249 -4.925 604 HH TYR 80 HH TYR 80 -7.790 -1.690 -7.932 605 H ARG 81 HN ARG 81 -11.464 -3.023 0.584 606 HA ARG 81 HA ARG 81 -12.002 -5.907 0.689 607 HB2 ARG 81 HB2 ARG 81 -10.965 -3.880 2.508 608 HB3 ARG 81 HB3 ARG 81 -12.287 -4.701 3.298 609 HG2 ARG 81 HG2 ARG 81 -10.171 -6.325 1.854 610 HG3 ARG 81 HG3 ARG 81 -9.792 -5.635 3.423 611 HD2 ARG 81 HD2 ARG 81 -12.384 -7.093 3.232 612 HD3 ARG 81 HD3 ARG 81 -10.930 -8.072 3.063 613 HE ARG 81 HE ARG 81 -10.427 -6.507 5.304 614 HH11 ARG 81 HH11 ARG 81 -13.148 -8.672 4.446 615 HH12 ARG 81 HH12 ARG 81 -13.135 -9.431 6.023 616 HH21 ARG 81 HH21 ARG 81 -10.408 -7.706 7.339 617 HH22 ARG 81 HH22 ARG 81 -11.710 -8.840 7.607 618 H GLN 82 HN GLN 82 -14.015 -3.255 0.163 619 HA GLN 82 HA GLN 82 -16.346 -4.869 0.865 620 HB2 GLN 82 HB2 GLN 82 -15.573 -2.260 2.065 621 HB3 GLN 82 HB3 GLN 82 -17.170 -2.258 1.395 622 HG2 GLN 82 HG2 GLN 82 -16.121 -4.210 3.484 623 HG3 GLN 82 HG3 GLN 82 -17.138 -2.796 3.783 624 HE21 GLN 82 HE21 GLN 82 -18.648 -4.294 4.882 625 HE22 GLN 82 HE22 GLN 82 -19.706 -5.286 3.899 626 H ARG 83 HN ARG 83 -16.096 -5.331 -1.370 627 HA ARG 83 HA ARG 83 -17.499 -3.317 -3.076 628 HB2 ARG 83 HB2 ARG 83 -15.316 -5.255 -3.877 629 HB3 ARG 83 HB3 ARG 83 -16.668 -4.920 -4.968 630 HG2 ARG 83 HG2 ARG 83 -16.198 -2.463 -4.782 631 HG3 ARG 83 HG3 ARG 83 -14.766 -2.836 -3.814 632 HD2 ARG 83 HD2 ARG 83 -14.196 -2.395 -6.172 633 HD3 ARG 83 HD3 ARG 83 -13.765 -4.034 -5.690 634 HE ARG 83 HE ARG 83 -15.809 -4.843 -6.815 635 HH11 ARG 83 HH11 ARG 83 -14.254 -1.901 -8.123 636 HH12 ARG 83 HH12 ARG 83 -15.154 -1.952 -9.574 637 HH21 ARG 83 HH21 ARG 83 -16.854 -4.978 -8.832 638 HH22 ARG 83 HH22 ARG 83 -16.565 -3.811 -10.041 639 H GLU 84 HN GLU 84 -19.455 -3.945 -2.224 640 HA GLU 84 HA GLU 84 -20.361 -6.738 -2.755 641 HB2 GLU 84 HB2 GLU 84 -21.669 -4.370 -1.347 642 HB3 GLU 84 HB3 GLU 84 -22.508 -5.886 -1.764 643 HG2 GLU 84 HG2 GLU 84 -20.865 -7.175 -0.444 644 HG3 GLU 84 HG3 GLU 84 -20.008 -5.696 -0.035 645 H LYS 85 HN LYS 85 -20.015 -6.592 -4.980 646 HA LYS 85 HA LYS 85 -21.721 -4.689 -6.460 647 HB2 LYS 85 HB2 LYS 85 -19.140 -4.000 -5.984 648 HB3 LYS 85 HB3 LYS 85 -18.845 -5.093 -7.288 649 HG2 LYS 85 HG2 LYS 85 -18.959 -3.023 -8.251 650 HG3 LYS 85 HG3 LYS 85 -20.576 -3.649 -8.607 651 HD2 LYS 85 HD2 LYS 85 -19.936 -1.851 -6.234 652 HD3 LYS 85 HD3 LYS 85 -20.354 -1.210 -7.833 653 HE2 LYS 85 HE2 LYS 85 -22.539 -2.431 -7.702 654 HE3 LYS 85 HE3 LYS 85 -22.121 -2.930 -6.054 655 HZ1 LYS 85 HZ1 LYS 85 -21.961 -0.534 -5.508 656 HZ2 LYS 85 HZ2 LYS 85 -23.468 -1.063 -5.934 657 HZ3 LYS 85 HZ3 LYS 85 -22.605 -0.197 -7.006 Start of MODEL 15 1 H1 GLY 1 HN GLY 1 14.485 -2.941 -7.328 2 HA2 GLY 1 HA1 GLY 1 13.140 -1.054 -6.536 3 HA3 GLY 1 HA2 GLY 1 12.913 -1.950 -5.024 4 H SER 2 HN SER 2 13.988 -0.767 -3.567 5 HA SER 2 HA SER 2 16.772 0.091 -3.934 6 HB2 SER 2 HB2 SER 2 14.705 1.684 -4.357 7 HB3 SER 2 HB3 SER 2 14.502 1.630 -2.618 8 HG SER 2 HG SER 2 16.247 3.039 -4.100 9 H GLU 3 HN GLU 3 16.460 1.417 -1.345 10 HA GLU 3 HA GLU 3 17.312 -0.707 0.385 11 HB2 GLU 3 HB2 GLU 3 17.496 0.895 2.107 12 HB3 GLU 3 HB3 GLU 3 18.047 1.662 0.635 13 HG2 GLU 3 HG2 GLU 3 15.965 2.934 0.476 14 HG3 GLU 3 HG3 GLU 3 15.284 2.082 1.863 15 H ASN 4 HN ASN 4 14.116 0.571 -0.359 16 HA ASN 4 HA ASN 4 12.923 -0.307 2.109 17 HB2 ASN 4 HB2 ASN 4 11.266 -0.060 -0.407 18 HB3 ASN 4 HB3 ASN 4 10.866 0.351 1.248 19 HD21 ASN 4 HD21 ASN 4 12.515 1.439 -1.704 20 HD22 ASN 4 HD22 ASN 4 12.655 3.116 -1.167 21 H PHE 5 HN PHE 5 13.406 -1.694 -1.067 22 HA PHE 5 HA PHE 5 11.509 -3.572 -1.255 23 HB2 PHE 5 HB2 PHE 5 13.199 -2.976 -2.961 24 HB3 PHE 5 HB3 PHE 5 14.392 -3.947 -2.135 25 HD1 PHE 5 HD2 PHE 5 10.812 -4.393 -3.449 26 HD2 PHE 5 HD1 PHE 5 14.801 -6.042 -3.054 27 HE1 PHE 5 HE2 PHE 5 10.104 -6.440 -4.592 28 HE2 PHE 5 HE1 PHE 5 14.075 -8.058 -4.315 29 HZ PHE 5 HZ PHE 5 11.708 -8.269 -5.059 30 H GLN 6 HN GLN 6 14.728 -4.424 0.196 31 HA GLN 6 HA GLN 6 13.840 -7.084 0.801 32 HB2 GLN 6 HB2 GLN 6 16.232 -6.471 0.621 33 HB3 GLN 6 HB3 GLN 6 16.092 -5.553 2.129 34 HG2 GLN 6 HG2 GLN 6 17.125 -7.685 2.542 35 HG3 GLN 6 HG3 GLN 6 15.606 -7.560 3.406 36 HE21 GLN 6 HE21 GLN 6 13.789 -8.832 2.631 37 HE22 GLN 6 HE22 GLN 6 14.047 -10.261 1.649 38 H THR 7 HN THR 7 13.651 -4.052 2.727 39 HA THR 7 HA THR 7 12.983 -5.404 5.152 40 HB THR 7 HB THR 7 12.086 -2.594 4.564 41 HG1 THR 7 HG1 THR 7 14.028 -1.790 4.396 42 HG21 THR 7 HG21 THR 7 13.083 -2.166 6.795 43 HG22 THR 7 HG22 THR 7 13.683 -3.837 6.861 44 HG23 THR 7 HG23 THR 7 11.934 -3.512 6.860 45 H LEU 8 HN LEU 8 11.110 -4.054 2.427 46 HA LEU 8 HA LEU 8 8.469 -4.518 3.479 47 HB2 LEU 8 HB2 LEU 8 9.696 -4.162 0.746 48 HB3 LEU 8 HB3 LEU 8 8.077 -4.779 0.848 49 HG LEU 8 HG LEU 8 7.155 -2.832 1.639 50 HD11 LEU 8 HD11 LEU 8 8.394 -0.825 2.466 51 HD12 LEU 8 HD12 LEU 8 9.889 -1.758 2.431 52 HD13 LEU 8 HD13 LEU 8 8.588 -2.229 3.526 53 HD21 LEU 8 HD21 LEU 8 7.925 -2.650 -0.697 54 HD22 LEU 8 HD22 LEU 8 9.471 -1.972 -0.147 55 HD23 LEU 8 HD23 LEU 8 7.975 -1.064 0.098 56 H LEU 9 HN LEU 9 10.746 -6.557 1.584 57 HA LEU 9 HA LEU 9 8.983 -8.788 1.263 58 HB2 LEU 9 HB2 LEU 9 11.998 -8.528 1.374 59 HB3 LEU 9 HB3 LEU 9 11.205 -10.046 1.010 60 HG LEU 9 HG LEU 9 10.726 -7.544 -0.663 61 HD11 LEU 9 HD11 LEU 9 12.372 -8.855 -2.243 62 HD12 LEU 9 HD12 LEU 9 12.952 -9.590 -0.745 63 HD13 LEU 9 HD13 LEU 9 13.027 -7.833 -0.977 64 HD21 LEU 9 HD21 LEU 9 9.991 -9.090 -2.343 65 HD22 LEU 9 HD22 LEU 9 9.076 -9.333 -0.857 66 HD23 LEU 9 HD23 LEU 9 10.355 -10.486 -1.278 67 H ASP 10 HN ASP 10 10.623 -7.667 4.096 68 HA ASP 10 HA ASP 10 10.199 -10.245 5.531 69 HB2 ASP 10 HB2 ASP 10 12.402 -8.979 5.550 70 HB3 ASP 10 HB3 ASP 10 11.586 -7.710 6.450 71 H ALA 11 HN ALA 11 8.488 -7.458 4.898 72 HA ALA 11 HA ALA 11 7.674 -6.663 7.570 73 HB1 ALA 11 HB1 ALA 11 6.836 -5.706 4.803 74 HB2 ALA 11 HB2 ALA 11 6.384 -4.922 6.294 75 HB3 ALA 11 HB3 ALA 11 8.087 -4.979 5.838 76 H GLY 12 HN GLY 12 6.871 -9.364 6.329 77 HA2 GLY 12 HA1 GLY 12 5.017 -10.704 6.780 78 HA3 GLY 12 HA2 GLY 12 3.991 -9.306 6.935 79 H LEU 13 HN LEU 13 6.010 -9.082 4.146 80 HA LEU 13 HA LEU 13 3.498 -9.325 2.610 81 HB2 LEU 13 HB2 LEU 13 6.029 -7.807 1.879 82 HB3 LEU 13 HB3 LEU 13 4.471 -7.678 1.116 83 HG LEU 13 HG LEU 13 4.918 -6.878 4.013 84 HD11 LEU 13 HD11 LEU 13 4.446 -4.838 1.840 85 HD12 LEU 13 HD12 LEU 13 6.108 -5.387 2.225 86 HD13 LEU 13 HD13 LEU 13 5.092 -4.647 3.459 87 HD21 LEU 13 HD21 LEU 13 2.614 -6.412 2.072 88 HD22 LEU 13 HD22 LEU 13 2.729 -5.768 3.738 89 HD23 LEU 13 HD23 LEU 13 2.589 -7.502 3.479 90 HA PRO 14 HA PRO 14 4.974 -12.526 -0.174 91 HB2 PRO 14 HB2 PRO 14 3.918 -11.594 -2.593 92 HB3 PRO 14 HB3 PRO 14 2.944 -12.337 -1.291 93 HG2 PRO 14 HG2 PRO 14 3.543 -9.410 -1.784 94 HG3 PRO 14 HG3 PRO 14 1.925 -10.158 -1.580 95 HD2 PRO 14 HD2 PRO 14 3.009 -9.000 0.472 96 HD3 PRO 14 HD3 PRO 14 2.331 -10.628 0.708 97 H GLN 15 HN GLN 15 5.862 -12.305 -2.875 98 HA GLN 15 HA GLN 15 8.198 -10.481 -2.734 99 HB2 GLN 15 HB2 GLN 15 8.565 -12.816 -3.535 100 HB3 GLN 15 HB3 GLN 15 7.444 -12.508 -4.861 101 HG2 GLN 15 HG2 GLN 15 9.186 -11.742 -6.049 102 HG3 GLN 15 HG3 GLN 15 9.222 -10.327 -5.033 103 HE21 GLN 15 HE21 GLN 15 11.068 -9.972 -3.720 104 HE22 GLN 15 HE22 GLN 15 12.327 -11.151 -3.526 105 H LYS 16 HN LYS 16 5.398 -11.302 -4.815 106 HA LYS 16 HA LYS 16 5.839 -9.561 -6.862 107 HB2 LYS 16 HB2 LYS 16 3.203 -10.475 -5.644 108 HB3 LYS 16 HB3 LYS 16 3.253 -9.533 -7.122 109 HG2 LYS 16 HG2 LYS 16 4.575 -12.256 -6.773 110 HG3 LYS 16 HG3 LYS 16 2.999 -11.920 -7.513 111 HD2 LYS 16 HD2 LYS 16 4.252 -10.345 -9.097 112 HD3 LYS 16 HD3 LYS 16 5.741 -11.129 -8.554 113 HE2 LYS 16 HE2 LYS 16 3.345 -12.345 -9.983 114 HE3 LYS 16 HE3 LYS 16 4.983 -12.147 -10.623 115 HZ1 LYS 16 HZ1 LYS 16 5.740 -13.802 -9.071 116 HZ2 LYS 16 HZ2 LYS 16 4.491 -14.405 -9.956 117 HZ3 LYS 16 HZ3 LYS 16 4.206 -13.949 -8.424 118 H VAL 17 HN VAL 17 4.002 -8.653 -3.967 119 HA VAL 17 HA VAL 17 3.048 -6.175 -4.975 120 HB VAL 17 HB VAL 17 3.349 -7.216 -2.132 121 HG11 VAL 17 HG11 VAL 17 1.620 -5.646 -1.481 122 HG12 VAL 17 HG12 VAL 17 2.937 -4.751 -2.243 123 HG13 VAL 17 HG13 VAL 17 1.438 -5.081 -3.160 124 HG21 VAL 17 HG21 VAL 17 0.962 -7.377 -4.010 125 HG22 VAL 17 HG22 VAL 17 1.976 -8.735 -3.494 126 HG23 VAL 17 HG23 VAL 17 1.003 -7.897 -2.305 127 H ALA 18 HN ALA 18 5.787 -7.061 -2.768 128 HA ALA 18 HA ALA 18 6.730 -4.496 -2.362 129 HB1 ALA 18 HB1 ALA 18 8.387 -7.039 -2.604 130 HB2 ALA 18 HB2 ALA 18 9.046 -5.472 -2.103 131 HB3 ALA 18 HB3 ALA 18 7.815 -6.216 -1.116 132 H GLU 19 HN GLU 19 7.369 -6.560 -5.239 133 HA GLU 19 HA GLU 19 9.332 -4.872 -6.354 134 HB2 GLU 19 HB2 GLU 19 7.286 -6.638 -7.834 135 HB3 GLU 19 HB3 GLU 19 8.682 -5.878 -8.555 136 HG2 GLU 19 HG2 GLU 19 9.995 -7.241 -6.690 137 HG3 GLU 19 HG3 GLU 19 8.584 -8.295 -6.809 138 H LYS 20 HN LYS 20 5.885 -4.270 -6.227 139 HA LYS 20 HA LYS 20 6.440 -1.866 -7.981 140 HB2 LYS 20 HB2 LYS 20 3.866 -1.704 -8.131 141 HB3 LYS 20 HB3 LYS 20 4.766 -2.763 -9.171 142 HG2 LYS 20 HG2 LYS 20 3.600 -3.923 -6.640 143 HG3 LYS 20 HG3 LYS 20 2.529 -3.533 -7.973 144 HD2 LYS 20 HD2 LYS 20 4.992 -5.303 -8.325 145 HD3 LYS 20 HD3 LYS 20 3.386 -5.899 -7.965 146 HE2 LYS 20 HE2 LYS 20 2.665 -4.443 -10.065 147 HE3 LYS 20 HE3 LYS 20 4.394 -4.479 -10.437 148 HZ1 LYS 20 HZ1 LYS 20 2.521 -6.739 -10.331 149 HZ2 LYS 20 HZ2 LYS 20 4.162 -6.992 -10.278 150 HZ3 LYS 20 HZ3 LYS 20 3.467 -6.274 -11.552 151 H LEU 21 HN LEU 21 6.478 -2.555 -4.855 152 HA LEU 21 HA LEU 21 4.956 -0.142 -3.912 153 HB2 LEU 21 HB2 LEU 21 4.523 -2.487 -3.055 154 HB3 LEU 21 HB3 LEU 21 6.207 -2.520 -2.505 155 HG LEU 21 HG LEU 21 5.858 -0.977 -0.838 156 HD11 LEU 21 HD11 LEU 21 3.551 0.021 -0.412 157 HD12 LEU 21 HD12 LEU 21 3.125 -0.465 -2.066 158 HD13 LEU 21 HD13 LEU 21 4.428 0.710 -1.779 159 HD21 LEU 21 HD21 LEU 21 3.457 -2.816 -0.838 160 HD22 LEU 21 HD22 LEU 21 4.366 -2.199 0.560 161 HD23 LEU 21 HD23 LEU 21 5.142 -3.315 -0.540 162 H ASP 22 HN ASP 22 8.231 -1.602 -4.005 163 HA ASP 22 HA ASP 22 9.488 0.233 -2.239 164 HB2 ASP 22 HB2 ASP 22 10.613 -1.739 -3.006 165 HB3 ASP 22 HB3 ASP 22 10.478 -1.239 -4.703 166 H GLU 23 HN GLU 23 8.909 0.455 -5.726 167 HA GLU 23 HA GLU 23 9.835 2.796 -6.618 168 HB2 GLU 23 HB2 GLU 23 7.171 1.345 -6.921 169 HB3 GLU 23 HB3 GLU 23 7.417 2.848 -7.777 170 HG2 GLU 23 HG2 GLU 23 7.889 0.626 -9.008 171 HG3 GLU 23 HG3 GLU 23 8.980 2.004 -9.199 172 H ILE 24 HN ILE 24 6.996 2.457 -4.587 173 HA ILE 24 HA ILE 24 6.084 5.171 -4.878 174 HB ILE 24 HB ILE 24 5.302 3.232 -2.686 175 HG12 ILE 24 HG12 ILE 24 4.424 3.275 -5.592 176 HG13 ILE 24 HG13 ILE 24 5.108 1.941 -4.702 177 HG21 ILE 24 HG21 ILE 24 3.171 4.396 -2.698 178 HG22 ILE 24 HG22 ILE 24 4.442 5.586 -2.524 179 HG23 ILE 24 HG23 ILE 24 3.657 5.382 -4.102 180 HD11 ILE 24 HD11 ILE 24 2.815 1.444 -5.005 181 HD12 ILE 24 HD12 ILE 24 3.011 1.863 -3.292 182 HD13 ILE 24 HD13 ILE 24 2.301 3.034 -4.425 183 H TYR 25 HN TYR 25 8.527 3.681 -2.868 184 HA TYR 25 HA TYR 25 8.664 6.070 -1.118 185 HB2 TYR 25 HB2 TYR 25 10.154 3.478 -0.914 186 HB3 TYR 25 HB3 TYR 25 10.081 4.769 0.295 187 HD1 TYR 25 HD1 TYR 25 7.507 5.513 0.834 188 HD2 TYR 25 HD2 TYR 25 8.721 1.659 -0.624 189 HE1 TYR 25 HE1 TYR 25 5.271 4.631 1.376 190 HE2 TYR 25 HE2 TYR 25 6.494 0.765 -0.092 191 HH TYR 25 HH TYR 25 3.801 2.855 1.011 192 H VAL 26 HN VAL 26 10.106 4.810 -3.976 193 HA VAL 26 HA VAL 26 12.628 6.294 -3.648 194 HB VAL 26 HB VAL 26 11.435 4.563 -5.856 195 HG11 VAL 26 HG11 VAL 26 14.144 5.942 -5.757 196 HG12 VAL 26 HG12 VAL 26 13.784 4.551 -6.816 197 HG13 VAL 26 HG13 VAL 26 12.896 6.058 -7.013 198 HG21 VAL 26 HG21 VAL 26 13.147 2.957 -5.194 199 HG22 VAL 26 HG22 VAL 26 13.755 4.074 -3.939 200 HG23 VAL 26 HG23 VAL 26 12.146 3.342 -3.808 201 H ALA 27 HN ALA 27 9.456 6.765 -5.162 202 HA ALA 27 HA ALA 27 10.455 8.682 -7.101 203 HB1 ALA 27 HB1 ALA 27 7.647 7.746 -6.430 204 HB2 ALA 27 HB2 ALA 27 8.110 8.699 -7.860 205 HB3 ALA 27 HB3 ALA 27 8.722 7.043 -7.656 206 H GLY 28 HN GLY 28 10.206 9.215 -3.945 207 HA2 GLY 28 HA1 GLY 28 10.161 11.092 -2.724 208 HA3 GLY 28 HA2 GLY 28 10.076 12.024 -4.242 209 H LEU 29 HN LEU 29 7.762 9.658 -3.345 210 HA LEU 29 HA LEU 29 5.479 11.526 -3.000 211 HB2 LEU 29 HB2 LEU 29 5.723 8.470 -3.280 212 HB3 LEU 29 HB3 LEU 29 4.247 9.257 -2.760 213 HG LEU 29 HG LEU 29 5.539 10.302 -5.286 214 HD11 LEU 29 HD11 LEU 29 4.339 8.624 -6.594 215 HD12 LEU 29 HD12 LEU 29 3.912 7.762 -5.086 216 HD13 LEU 29 HD13 LEU 29 5.609 7.894 -5.574 217 HD21 LEU 29 HD21 LEU 29 3.511 11.406 -4.344 218 HD22 LEU 29 HD22 LEU 29 2.641 9.864 -4.418 219 HD23 LEU 29 HD23 LEU 29 3.169 10.662 -5.913 220 H VAL 30 HN VAL 30 6.234 8.483 -1.338 221 HA VAL 30 HA VAL 30 6.003 9.946 1.265 222 HB VAL 30 HB VAL 30 5.027 7.630 2.000 223 HG11 VAL 30 HG11 VAL 30 2.776 8.429 1.471 224 HG12 VAL 30 HG12 VAL 30 3.873 9.746 1.988 225 HG13 VAL 30 HG13 VAL 30 3.462 9.560 0.283 226 HG21 VAL 30 HG21 VAL 30 3.806 6.384 0.370 227 HG22 VAL 30 HG22 VAL 30 4.221 7.509 -0.933 228 HG23 VAL 30 HG23 VAL 30 5.480 6.483 -0.212 229 H ALA 31 HN ALA 31 6.724 8.800 3.155 230 HA ALA 31 HA ALA 31 9.343 7.496 2.884 231 HB1 ALA 31 HB1 ALA 31 9.299 7.631 5.363 232 HB2 ALA 31 HB2 ALA 31 8.983 9.229 4.644 233 HB3 ALA 31 HB3 ALA 31 7.649 8.274 5.317 234 H HIS 32 HN HIS 32 9.672 5.398 3.857 235 HA HIS 32 HA HIS 32 7.523 3.610 3.149 236 HB2 HIS 32 HB2 HIS 32 9.066 1.873 3.360 237 HB3 HIS 32 HB3 HIS 32 9.912 3.227 2.639 238 HD1 HIS 32 HD1 HIS 32 9.486 2.017 6.379 239 HD2 HIS 32 HD2 HIS 32 12.367 3.277 3.549 240 HE1 HIS 32 HE1 HIS 32 11.644 1.764 7.492 241 H SER 33 HN SER 33 8.274 5.136 6.116 242 HA SER 33 HA SER 33 6.483 3.280 7.607 243 HB2 SER 33 HB2 SER 33 8.740 4.915 8.775 244 HB3 SER 33 HB3 SER 33 7.769 3.691 9.598 245 HG SER 33 HG SER 33 9.926 3.117 8.838 246 H ASP 34 HN ASP 34 5.611 5.491 6.000 247 HA ASP 34 HA ASP 34 4.854 7.626 7.868 248 HB2 ASP 34 HB2 ASP 34 5.322 7.868 5.297 249 HB3 ASP 34 HB3 ASP 34 3.691 7.241 5.109 250 H LEU 35 HN LEU 35 3.939 4.587 8.062 251 HA LEU 35 HA LEU 35 1.049 4.904 7.676 252 HB2 LEU 35 HB2 LEU 35 2.898 2.487 7.713 253 HB3 LEU 35 HB3 LEU 35 1.173 2.436 7.446 254 HG LEU 35 HG LEU 35 2.235 2.229 5.425 255 HD11 LEU 35 HD11 LEU 35 0.163 3.614 5.427 256 HD12 LEU 35 HD12 LEU 35 1.241 3.991 4.070 257 HD13 LEU 35 HD13 LEU 35 1.183 5.083 5.449 258 HD21 LEU 35 HD21 LEU 35 3.751 3.582 4.288 259 HD22 LEU 35 HD22 LEU 35 4.413 3.337 5.916 260 HD23 LEU 35 HD23 LEU 35 3.619 4.872 5.441 261 H ASP 36 HN ASP 36 -0.080 3.048 8.974 262 HA ASP 36 HA ASP 36 0.548 3.460 11.858 263 HB2 ASP 36 HB2 ASP 36 -2.116 3.168 10.416 264 HB3 ASP 36 HB3 ASP 36 -1.962 3.001 12.142 265 H GLU 37 HN GLU 37 -0.178 1.705 13.158 266 HA GLU 37 HA GLU 37 0.722 -0.946 12.387 267 HB2 GLU 37 HB2 GLU 37 0.434 -0.023 14.777 268 HB3 GLU 37 HB3 GLU 37 -1.277 -0.199 14.532 269 HG2 GLU 37 HG2 GLU 37 -0.946 -2.155 15.592 270 HG3 GLU 37 HG3 GLU 37 -0.651 -2.734 13.947 271 H ARG 38 HN ARG 38 -2.470 0.566 12.663 272 HA ARG 38 HA ARG 38 -4.079 -1.634 11.928 273 HB2 ARG 38 HB2 ARG 38 -4.652 1.312 11.345 274 HB3 ARG 38 HB3 ARG 38 -5.810 -0.007 11.464 275 HG2 ARG 38 HG2 ARG 38 -5.068 -0.283 13.909 276 HG3 ARG 38 HG3 ARG 38 -4.203 1.247 13.709 277 HD2 ARG 38 HD2 ARG 38 -6.324 2.371 13.093 278 HD3 ARG 38 HD3 ARG 38 -7.195 0.851 13.292 279 HE ARG 38 HE ARG 38 -6.745 0.856 15.649 280 HH11 ARG 38 HH11 ARG 38 -6.276 4.043 14.062 281 HH12 ARG 38 HH12 ARG 38 -6.544 4.910 15.518 282 HH21 ARG 38 HH21 ARG 38 -6.943 2.021 17.530 283 HH22 ARG 38 HH22 ARG 38 -6.668 3.743 17.596 284 H ALA 39 HN ALA 39 -2.006 0.320 9.899 285 HA ALA 39 HA ALA 39 -3.443 -0.366 7.418 286 HB1 ALA 39 HB1 ALA 39 -2.213 1.829 7.737 287 HB2 ALA 39 HB2 ALA 39 -0.689 0.906 7.714 288 HB3 ALA 39 HB3 ALA 39 -1.750 0.918 6.298 289 H ILE 40 HN ILE 40 -0.439 -1.263 9.198 290 HA ILE 40 HA ILE 40 0.581 -3.133 7.322 291 HB ILE 40 HB ILE 40 0.863 -3.428 10.324 292 HG12 ILE 40 HG12 ILE 40 1.375 -1.142 10.112 293 HG13 ILE 40 HG13 ILE 40 2.885 -2.003 10.201 294 HG21 ILE 40 HG21 ILE 40 2.764 -4.029 8.007 295 HG22 ILE 40 HG22 ILE 40 3.107 -4.267 9.734 296 HG23 ILE 40 HG23 ILE 40 1.847 -5.212 8.953 297 HD11 ILE 40 HD11 ILE 40 3.055 -0.202 8.588 298 HD12 ILE 40 HD12 ILE 40 3.213 -1.759 7.760 299 HD13 ILE 40 HD13 ILE 40 1.691 -0.841 7.658 300 H GLU 41 HN GLU 41 -1.744 -3.587 10.081 301 HA GLU 41 HA GLU 41 -1.870 -6.347 9.746 302 HB2 GLU 41 HB2 GLU 41 -3.542 -6.395 11.280 303 HB3 GLU 41 HB3 GLU 41 -2.990 -4.748 11.567 304 HG2 GLU 41 HG2 GLU 41 -4.882 -3.950 10.094 305 HG3 GLU 41 HG3 GLU 41 -5.436 -5.621 9.949 306 H ALA 42 HN ALA 42 -3.611 -3.837 7.993 307 HA ALA 42 HA ALA 42 -5.527 -5.559 6.739 308 HB1 ALA 42 HB1 ALA 42 -6.067 -3.530 5.436 309 HB2 ALA 42 HB2 ALA 42 -5.950 -3.183 7.174 310 HB3 ALA 42 HB3 ALA 42 -4.624 -2.724 6.085 311 H LEU 43 HN LEU 43 -2.298 -4.305 5.690 312 HA LEU 43 HA LEU 43 -2.421 -5.076 3.044 313 HB2 LEU 43 HB2 LEU 43 -0.363 -4.427 5.015 314 HB3 LEU 43 HB3 LEU 43 0.249 -5.673 3.966 315 HG LEU 43 HG LEU 43 -1.041 -3.117 3.103 316 HD11 LEU 43 HD11 LEU 43 1.226 -2.868 4.205 317 HD12 LEU 43 HD12 LEU 43 1.113 -2.255 2.558 318 HD13 LEU 43 HD13 LEU 43 1.913 -3.799 2.859 319 HD21 LEU 43 HD21 LEU 43 -1.261 -4.880 1.290 320 HD22 LEU 43 HD22 LEU 43 0.501 -5.037 1.286 321 HD23 LEU 43 HD23 LEU 43 -0.285 -3.515 0.801 322 H LYS 44 HN LYS 44 -1.573 -7.136 5.800 323 HA LYS 44 HA LYS 44 -0.959 -9.486 4.188 324 HB2 LYS 44 HB2 LYS 44 -1.331 -8.879 7.119 325 HB3 LYS 44 HB3 LYS 44 -1.456 -10.550 6.586 326 HG2 LYS 44 HG2 LYS 44 0.782 -10.415 7.148 327 HG3 LYS 44 HG3 LYS 44 0.778 -10.240 5.414 328 HD2 LYS 44 HD2 LYS 44 2.225 -8.561 5.910 329 HD3 LYS 44 HD3 LYS 44 0.814 -7.607 6.025 330 HE2 LYS 44 HE2 LYS 44 2.201 -8.988 8.381 331 HE3 LYS 44 HE3 LYS 44 2.463 -7.307 7.899 332 HZ1 LYS 44 HZ1 LYS 44 0.176 -6.840 8.428 333 HZ2 LYS 44 HZ2 LYS 44 0.986 -7.448 9.711 334 HZ3 LYS 44 HZ3 LYS 44 -0.095 -8.398 8.913 335 H GLU 45 HN GLU 45 -3.989 -8.060 5.281 336 HA GLU 45 HA GLU 45 -5.465 -10.544 5.175 337 HB2 GLU 45 HB2 GLU 45 -6.081 -7.615 5.564 338 HB3 GLU 45 HB3 GLU 45 -7.391 -8.677 5.145 339 HG2 GLU 45 HG2 GLU 45 -5.497 -9.279 7.459 340 HG3 GLU 45 HG3 GLU 45 -6.903 -8.247 7.653 341 H PHE 46 HN PHE 46 -4.228 -8.577 2.667 342 HA PHE 46 HA PHE 46 -6.413 -9.324 0.821 343 HB2 PHE 46 HB2 PHE 46 -3.958 -7.566 0.489 344 HB3 PHE 46 HB3 PHE 46 -5.017 -8.050 -0.831 345 HD1 PHE 46 HD1 PHE 46 -7.508 -7.483 -0.750 346 HD2 PHE 46 HD2 PHE 46 -4.633 -5.745 1.950 347 HE1 PHE 46 HE1 PHE 46 -9.105 -5.685 -0.224 348 HE2 PHE 46 HE2 PHE 46 -6.237 -3.938 2.474 349 HZ PHE 46 HZ PHE 46 -8.489 -3.887 1.370 350 H ASN 47 HN ASN 47 -5.676 -10.210 -1.178 351 HA ASN 47 HA ASN 47 -3.559 -12.318 -0.935 352 HB2 ASN 47 HB2 ASN 47 -4.673 -13.580 -2.680 353 HB3 ASN 47 HB3 ASN 47 -5.804 -13.250 -1.425 354 HD21 ASN 47 HD21 ASN 47 -7.555 -11.843 -1.809 355 HD22 ASN 47 HD22 ASN 47 -8.083 -11.542 -3.446 356 H GLU 48 HN GLU 48 -2.816 -12.853 -3.389 357 HA GLU 48 HA GLU 48 -1.192 -10.983 -4.246 358 HB2 GLU 48 HB2 GLU 48 -1.432 -13.451 -4.929 359 HB3 GLU 48 HB3 GLU 48 -2.650 -12.922 -6.100 360 HG2 GLU 48 HG2 GLU 48 -0.721 -11.130 -6.660 361 HG3 GLU 48 HG3 GLU 48 0.283 -12.378 -5.944 362 H ASP 49 HN ASP 49 -4.468 -11.464 -5.572 363 HA ASP 49 HA ASP 49 -4.251 -9.386 -7.614 364 HB2 ASP 49 HB2 ASP 49 -5.764 -11.317 -7.891 365 HB3 ASP 49 HB3 ASP 49 -6.595 -10.846 -6.392 366 H GLY 50 HN GLY 50 -5.720 -9.790 -4.343 367 HA2 GLY 50 HA1 GLY 50 -7.047 -7.317 -4.345 368 HA3 GLY 50 HA2 GLY 50 -6.531 -8.183 -2.873 369 H ALA 51 HN ALA 51 -3.819 -8.092 -2.985 370 HA ALA 51 HA ALA 51 -3.198 -5.468 -2.106 371 HB1 ALA 51 HB1 ALA 51 -2.009 -7.472 -1.327 372 HB2 ALA 51 HB2 ALA 51 -1.373 -7.753 -2.962 373 HB3 ALA 51 HB3 ALA 51 -0.873 -6.312 -2.043 374 H LEU 52 HN LEU 52 -2.504 -7.119 -5.253 375 HA LEU 52 HA LEU 52 -0.968 -4.952 -6.352 376 HB2 LEU 52 HB2 LEU 52 -2.600 -7.188 -7.608 377 HB3 LEU 52 HB3 LEU 52 -1.717 -6.018 -8.573 378 HG LEU 52 HG LEU 52 -0.396 -7.735 -6.467 379 HD11 LEU 52 HD11 LEU 52 0.403 -9.137 -8.328 380 HD12 LEU 52 HD12 LEU 52 -0.547 -8.178 -9.480 381 HD13 LEU 52 HD13 LEU 52 -1.367 -9.155 -8.245 382 HD21 LEU 52 HD21 LEU 52 1.688 -7.216 -7.679 383 HD22 LEU 52 HD22 LEU 52 0.961 -5.774 -6.975 384 HD23 LEU 52 HD23 LEU 52 0.790 -6.077 -8.717 385 H ALA 53 HN ALA 53 -4.506 -5.675 -6.458 386 HA ALA 53 HA ALA 53 -5.152 -3.494 -8.148 387 HB1 ALA 53 HB1 ALA 53 -6.939 -4.651 -5.969 388 HB2 ALA 53 HB2 ALA 53 -7.400 -3.926 -7.533 389 HB3 ALA 53 HB3 ALA 53 -6.603 -5.499 -7.480 390 H VAL 54 HN VAL 54 -4.939 -3.715 -4.593 391 HA VAL 54 HA VAL 54 -5.771 -1.066 -3.996 392 HB VAL 54 HB VAL 54 -3.886 -2.972 -2.496 393 HG11 VAL 54 HG11 VAL 54 -4.449 -1.544 -0.524 394 HG12 VAL 54 HG12 VAL 54 -3.402 -0.754 -1.709 395 HG13 VAL 54 HG13 VAL 54 -5.138 -0.356 -1.644 396 HG21 VAL 54 HG21 VAL 54 -6.435 -3.565 -2.809 397 HG22 VAL 54 HG22 VAL 54 -5.797 -3.531 -1.163 398 HG23 VAL 54 HG23 VAL 54 -6.746 -2.173 -1.784 399 H LEU 55 HN LEU 55 -2.617 -2.344 -5.024 400 HA LEU 55 HA LEU 55 -1.180 0.117 -4.388 401 HB2 LEU 55 HB2 LEU 55 -0.397 -2.338 -6.040 402 HB3 LEU 55 HB3 LEU 55 0.621 -0.921 -5.855 403 HG LEU 55 HG LEU 55 -0.124 -2.952 -3.745 404 HD11 LEU 55 HD11 LEU 55 1.810 -3.410 -5.159 405 HD12 LEU 55 HD12 LEU 55 2.369 -2.977 -3.537 406 HD13 LEU 55 HD13 LEU 55 2.488 -1.798 -4.841 407 HD21 LEU 55 HD21 LEU 55 1.095 -1.565 -2.087 408 HD22 LEU 55 HD22 LEU 55 -0.438 -0.858 -2.561 409 HD23 LEU 55 HD23 LEU 55 1.072 -0.200 -3.234 410 H GLN 56 HN GLN 56 -2.483 -1.400 -7.343 411 HA GLN 56 HA GLN 56 -1.604 0.520 -9.215 412 HB2 GLN 56 HB2 GLN 56 -2.698 -1.597 -9.844 413 HB3 GLN 56 HB3 GLN 56 -4.214 -1.068 -9.106 414 HG2 GLN 56 HG2 GLN 56 -4.314 0.835 -10.719 415 HG3 GLN 56 HG3 GLN 56 -2.822 0.246 -11.479 416 HE21 GLN 56 HE21 GLN 56 -6.312 -0.196 -11.235 417 HE22 GLN 56 HE22 GLN 56 -6.381 -1.705 -12.129 418 H GLN 57 HN GLN 57 -4.569 0.441 -7.158 419 HA GLN 57 HA GLN 57 -5.526 2.897 -8.385 420 HB2 GLN 57 HB2 GLN 57 -6.933 1.115 -7.191 421 HB3 GLN 57 HB3 GLN 57 -6.444 1.886 -5.676 422 HG2 GLN 57 HG2 GLN 57 -7.328 4.085 -6.704 423 HG3 GLN 57 HG3 GLN 57 -7.999 3.107 -8.004 424 HE21 GLN 57 HE21 GLN 57 -9.283 1.019 -6.905 425 HE22 GLN 57 HE22 GLN 57 -10.493 1.558 -5.766 426 H PHE 58 HN PHE 58 -3.561 2.190 -5.525 427 HA PHE 58 HA PHE 58 -3.649 4.833 -4.417 428 HB2 PHE 58 HB2 PHE 58 -2.957 2.828 -3.145 429 HB3 PHE 58 HB3 PHE 58 -1.491 2.723 -4.105 430 HD1 PHE 58 HD2 PHE 58 -3.278 4.662 -1.471 431 HD2 PHE 58 HD1 PHE 58 0.366 4.347 -3.765 432 HE1 PHE 58 HE2 PHE 58 -2.113 6.107 0.163 433 HE2 PHE 58 HE1 PHE 58 1.493 5.840 -2.148 434 HZ PHE 58 HZ PHE 58 0.293 6.666 -0.145 435 H LYS 59 HN LYS 59 -1.145 3.220 -6.543 436 HA LYS 59 HA LYS 59 0.464 5.528 -6.764 437 HB2 LYS 59 HB2 LYS 59 0.915 3.073 -7.597 438 HB3 LYS 59 HB3 LYS 59 0.139 3.621 -9.088 439 HG2 LYS 59 HG2 LYS 59 2.426 4.028 -9.477 440 HG3 LYS 59 HG3 LYS 59 1.831 5.615 -8.998 441 HD2 LYS 59 HD2 LYS 59 2.580 4.306 -6.582 442 HD3 LYS 59 HD3 LYS 59 3.821 3.853 -7.743 443 HE2 LYS 59 HE2 LYS 59 2.982 6.680 -6.980 444 HE3 LYS 59 HE3 LYS 59 4.407 5.841 -6.375 445 HZ1 LYS 59 HZ1 LYS 59 5.072 7.264 -8.148 446 HZ2 LYS 59 HZ2 LYS 59 3.913 6.757 -9.148 447 HZ3 LYS 59 HZ3 LYS 59 5.171 5.750 -8.764 448 H ASP 60 HN ASP 60 -2.375 4.510 -8.705 449 HA ASP 60 HA ASP 60 -2.097 6.868 -10.393 450 HB2 ASP 60 HB2 ASP 60 -2.935 4.340 -10.881 451 HB3 ASP 60 HB3 ASP 60 -4.500 5.094 -10.621 452 H SER 61 HN SER 61 -2.940 7.149 -7.355 453 HA SER 61 HA SER 61 -5.582 8.455 -7.814 454 HB2 SER 61 HB2 SER 61 -4.609 6.895 -5.638 455 HB3 SER 61 HB3 SER 61 -4.795 8.529 -5.053 456 HG SER 61 HG SER 61 -6.670 6.773 -5.396 457 H ASP 62 HN ASP 62 -5.978 10.313 -6.508 458 HA ASP 62 HA ASP 62 -3.963 12.379 -7.181 459 HB2 ASP 62 HB2 ASP 62 -6.162 12.870 -7.989 460 HB3 ASP 62 HB3 ASP 62 -6.865 12.694 -6.376 461 H LEU 63 HN LEU 63 -2.475 12.123 -5.615 462 HA LEU 63 HA LEU 63 -3.152 12.338 -2.750 463 HB2 LEU 63 HB2 LEU 63 -0.553 12.112 -4.274 464 HB3 LEU 63 HB3 LEU 63 -0.666 12.123 -2.507 465 HG LEU 63 HG LEU 63 -2.203 10.044 -4.122 466 HD11 LEU 63 HD11 LEU 63 0.655 9.830 -3.140 467 HD12 LEU 63 HD12 LEU 63 0.091 9.775 -4.823 468 HD13 LEU 63 HD13 LEU 63 -0.349 8.472 -3.696 469 HD21 LEU 63 HD21 LEU 63 -1.186 10.206 -1.269 470 HD22 LEU 63 HD22 LEU 63 -1.982 8.789 -1.944 471 HD23 LEU 63 HD23 LEU 63 -2.875 10.306 -1.791 472 H SER 64 HN SER 64 -4.151 14.466 -3.798 473 HA SER 64 HA SER 64 -2.614 16.812 -4.179 474 HB2 SER 64 HB2 SER 64 -4.970 17.829 -3.513 475 HB3 SER 64 HB3 SER 64 -4.727 16.955 -5.030 476 HG SER 64 HG SER 64 -6.085 15.586 -4.465 477 H HIS 65 HN HIS 65 -1.026 16.732 -2.401 478 HA HIS 65 HA HIS 65 -0.161 17.403 -0.433 479 HB2 HIS 65 HB2 HIS 65 -2.429 19.389 -0.221 480 HB3 HIS 65 HB3 HIS 65 -0.772 19.547 0.354 481 HD1 HIS 65 HD1 HIS 65 -2.870 20.689 -2.395 482 HD2 HIS 65 HD2 HIS 65 1.024 19.118 -2.038 483 HE1 HIS 65 HE1 HIS 65 -1.707 21.175 -4.592 484 H VAL 66 HN VAL 66 -1.848 15.185 -0.261 485 HA VAL 66 HA VAL 66 -3.722 15.063 1.810 486 HB VAL 66 HB VAL 66 -3.602 13.307 0.233 487 HG11 VAL 66 HG11 VAL 66 -1.445 11.828 0.166 488 HG12 VAL 66 HG12 VAL 66 -1.605 13.299 -0.798 489 HG13 VAL 66 HG13 VAL 66 -0.662 13.343 0.672 490 HG21 VAL 66 HG21 VAL 66 -4.125 12.475 2.471 491 HG22 VAL 66 HG22 VAL 66 -3.173 11.272 1.580 492 HG23 VAL 66 HG23 VAL 66 -2.410 12.235 2.843 493 H GLN 67 HN GLN 67 -3.423 15.781 3.836 494 HA GLN 67 HA GLN 67 -0.964 16.092 5.131 495 HB2 GLN 67 HB2 GLN 67 -2.320 16.058 7.275 496 HB3 GLN 67 HB3 GLN 67 -2.730 17.293 6.083 497 HG2 GLN 67 HG2 GLN 67 -4.736 16.208 5.434 498 HG3 GLN 67 HG3 GLN 67 -4.308 14.703 6.199 499 HE21 GLN 67 HE21 GLN 67 -3.430 16.740 8.625 500 HE22 GLN 67 HE22 GLN 67 -4.953 16.762 9.453 501 H ASN 68 HN ASN 68 -3.227 13.366 5.665 502 HA ASN 68 HA ASN 68 -1.134 11.933 7.186 503 HB2 ASN 68 HB2 ASN 68 -3.061 10.802 8.242 504 HB3 ASN 68 HB3 ASN 68 -2.970 12.529 8.546 505 HD21 ASN 68 HD21 ASN 68 -5.310 11.463 9.165 506 HD22 ASN 68 HD22 ASN 68 -6.516 11.948 7.965 507 H LYS 69 HN LYS 69 -0.147 11.062 5.401 508 HA LYS 69 HA LYS 69 -1.296 9.871 3.169 509 HB2 LYS 69 HB2 LYS 69 1.294 9.025 4.555 510 HB3 LYS 69 HB3 LYS 69 0.894 8.777 2.860 511 HG2 LYS 69 HG2 LYS 69 1.312 11.507 4.218 512 HG3 LYS 69 HG3 LYS 69 2.449 10.675 3.184 513 HD2 LYS 69 HD2 LYS 69 0.579 10.641 1.415 514 HD3 LYS 69 HD3 LYS 69 -0.172 11.887 2.400 515 HE2 LYS 69 HE2 LYS 69 2.671 12.020 1.255 516 HE3 LYS 69 HE3 LYS 69 1.240 12.753 0.524 517 HZ1 LYS 69 HZ1 LYS 69 2.581 13.529 3.000 518 HZ2 LYS 69 HZ2 LYS 69 0.989 13.969 2.699 519 HZ3 LYS 69 HZ3 LYS 69 2.154 14.457 1.707 520 H SER 70 HN SER 70 -0.971 8.510 6.308 521 HA SER 70 HA SER 70 -1.091 5.697 5.799 522 HB2 SER 70 HB2 SER 70 -2.162 6.808 8.337 523 HB3 SER 70 HB3 SER 70 -0.929 5.580 8.097 524 HG SER 70 HG SER 70 0.600 7.253 7.788 525 H ALA 71 HN ALA 71 -3.424 8.220 6.767 526 HA ALA 71 HA ALA 71 -5.687 6.541 7.070 527 HB1 ALA 71 HB1 ALA 71 -5.384 8.787 8.117 528 HB2 ALA 71 HB2 ALA 71 -5.459 9.530 6.499 529 HB3 ALA 71 HB3 ALA 71 -6.875 8.725 7.160 530 H PHE 72 HN PHE 72 -4.417 8.480 4.374 531 HA PHE 72 HA PHE 72 -6.580 8.124 2.545 532 HB2 PHE 72 HB2 PHE 72 -4.589 9.684 2.379 533 HB3 PHE 72 HB3 PHE 72 -3.604 8.320 1.914 534 HD1 PHE 72 HD2 PHE 72 -4.705 6.904 -0.251 535 HD2 PHE 72 HD1 PHE 72 -5.326 11.089 0.690 536 HE1 PHE 72 HE2 PHE 72 -5.250 7.364 -2.596 537 HE2 PHE 72 HE1 PHE 72 -5.659 11.545 -1.694 538 HZ PHE 72 HZ PHE 72 -5.704 9.710 -3.348 539 H LEU 73 HN LEU 73 -3.603 6.216 3.142 540 HA LEU 73 HA LEU 73 -3.966 4.322 1.076 541 HB2 LEU 73 HB2 LEU 73 -1.866 4.703 2.358 542 HB3 LEU 73 HB3 LEU 73 -2.583 3.975 3.779 543 HG LEU 73 HG LEU 73 -2.953 1.869 2.372 544 HD11 LEU 73 HD11 LEU 73 -2.607 2.917 0.154 545 HD12 LEU 73 HD12 LEU 73 -1.485 1.581 0.413 546 HD13 LEU 73 HD13 LEU 73 -0.917 3.260 0.568 547 HD21 LEU 73 HD21 LEU 73 -1.184 2.035 4.085 548 HD22 LEU 73 HD22 LEU 73 -0.086 2.706 2.852 549 HD23 LEU 73 HD23 LEU 73 -0.684 1.046 2.709 550 H CYS 74 HN CYS 74 -4.780 4.136 4.528 551 HA CYS 74 HA CYS 74 -6.201 1.717 4.612 552 HB2 CYS 74 HB2 CYS 74 -5.675 3.141 6.600 553 HB3 CYS 74 HB3 CYS 74 -6.878 4.334 6.045 554 HG CYS 74 HG CYS 74 -7.233 1.234 7.078 555 H GLY 75 HN GLY 75 -7.336 4.913 3.458 556 HA2 GLY 75 HA1 GLY 75 -10.116 4.393 3.268 557 HA3 GLY 75 HA2 GLY 75 -9.187 5.557 2.300 558 H VAL 76 HN VAL 76 -7.491 3.932 0.870 559 HA VAL 76 HA VAL 76 -9.173 2.888 -1.203 560 HB VAL 76 HB VAL 76 -6.188 2.447 -0.765 561 HG11 VAL 76 HG11 VAL 76 -7.031 0.954 -2.480 562 HG12 VAL 76 HG12 VAL 76 -7.871 2.297 -3.291 563 HG13 VAL 76 HG13 VAL 76 -6.092 2.238 -3.232 564 HG21 VAL 76 HG21 VAL 76 -5.977 4.415 -2.366 565 HG22 VAL 76 HG22 VAL 76 -7.707 4.720 -2.067 566 HG23 VAL 76 HG23 VAL 76 -6.535 4.822 -0.746 567 H MET 77 HN MET 77 -7.327 1.260 1.459 568 HA MET 77 HA MET 77 -7.889 -1.407 0.621 569 HB2 MET 77 HB2 MET 77 -7.639 -0.430 3.504 570 HB3 MET 77 HB3 MET 77 -7.497 -2.083 2.909 571 HG2 MET 77 HG2 MET 77 -5.659 -1.096 1.335 572 HG3 MET 77 HG3 MET 77 -5.639 0.237 2.500 573 HE1 MET 77 HE1 MET 77 -2.401 -1.679 3.003 574 HE2 MET 77 HE2 MET 77 -3.295 -0.951 1.671 575 HE3 MET 77 HE3 MET 77 -3.101 -0.061 3.216 576 H LYS 78 HN LYS 78 -9.762 0.879 2.595 577 HA LYS 78 HA LYS 78 -11.793 -0.787 3.458 578 HB2 LYS 78 HB2 LYS 78 -11.381 1.709 3.981 579 HB3 LYS 78 HB3 LYS 78 -12.324 2.053 2.520 580 HG2 LYS 78 HG2 LYS 78 -14.175 0.587 3.532 581 HG3 LYS 78 HG3 LYS 78 -13.214 0.593 5.028 582 HD2 LYS 78 HD2 LYS 78 -13.232 3.208 4.706 583 HD3 LYS 78 HD3 LYS 78 -14.584 2.904 3.612 584 HE2 LYS 78 HE2 LYS 78 -14.365 2.021 6.526 585 HE3 LYS 78 HE3 LYS 78 -15.255 3.444 5.973 586 HZ1 LYS 78 HZ1 LYS 78 -16.590 1.404 6.401 587 HZ2 LYS 78 HZ2 LYS 78 -15.964 0.728 5.049 588 HZ3 LYS 78 HZ3 LYS 78 -16.861 2.087 4.941 589 H THR 79 HN THR 79 -11.911 1.164 0.389 590 HA THR 79 HA THR 79 -14.335 -0.080 -0.435 591 HB THR 79 HB THR 79 -13.667 2.071 -1.292 592 HG1 THR 79 HG1 THR 79 -14.176 1.751 -3.410 593 HG21 THR 79 HG21 THR 79 -11.378 0.700 -2.747 594 HG22 THR 79 HG22 THR 79 -11.271 1.949 -1.473 595 HG23 THR 79 HG23 THR 79 -11.950 2.355 -3.044 596 H TYR 80 HN TYR 80 -10.917 -1.136 -0.956 597 HA TYR 80 HA TYR 80 -11.680 -3.067 -2.921 598 HB2 TYR 80 HB2 TYR 80 -9.222 -2.585 -1.261 599 HB3 TYR 80 HB3 TYR 80 -9.411 -4.155 -2.027 600 HD1 TYR 80 HD1 TYR 80 -10.021 -4.291 -4.518 601 HD2 TYR 80 HD2 TYR 80 -8.495 -0.733 -2.634 602 HE1 TYR 80 HE1 TYR 80 -9.426 -3.392 -6.710 603 HE2 TYR 80 HE2 TYR 80 -7.834 0.170 -4.831 604 HH TYR 80 HH TYR 80 -7.250 -1.128 -7.256 605 H ARG 81 HN ARG 81 -11.493 -3.338 0.635 606 HA ARG 81 HA ARG 81 -12.370 -6.148 0.630 607 HB2 ARG 81 HB2 ARG 81 -12.067 -3.934 2.656 608 HB3 ARG 81 HB3 ARG 81 -13.281 -5.150 3.023 609 HG2 ARG 81 HG2 ARG 81 -10.495 -6.033 2.212 610 HG3 ARG 81 HG3 ARG 81 -10.833 -5.479 3.867 611 HD2 ARG 81 HD2 ARG 81 -12.283 -7.217 4.360 612 HD3 ARG 81 HD3 ARG 81 -12.689 -7.489 2.681 613 HE ARG 81 HE ARG 81 -10.878 -8.849 2.355 614 HH11 ARG 81 HH11 ARG 81 -10.524 -7.510 5.704 615 HH12 ARG 81 HH12 ARG 81 -9.730 -8.977 6.226 616 HH21 ARG 81 HH21 ARG 81 -9.644 -10.669 3.231 617 HH22 ARG 81 HH22 ARG 81 -9.126 -10.539 4.893 618 H GLN 82 HN GLN 82 -13.951 -2.955 0.819 619 HA GLN 82 HA GLN 82 -16.545 -4.240 0.999 620 HB2 GLN 82 HB2 GLN 82 -15.657 -1.397 1.555 621 HB3 GLN 82 HB3 GLN 82 -17.223 -2.119 1.879 622 HG2 GLN 82 HG2 GLN 82 -16.203 -3.741 3.429 623 HG3 GLN 82 HG3 GLN 82 -14.599 -3.080 3.115 624 HE21 GLN 82 HE21 GLN 82 -14.940 -3.085 5.575 625 HE22 GLN 82 HE22 GLN 82 -15.760 -1.727 6.274 626 H ARG 83 HN ARG 83 -16.308 -4.716 -1.378 627 HA ARG 83 HA ARG 83 -17.588 -2.511 -2.896 628 HB2 ARG 83 HB2 ARG 83 -16.487 -3.391 -4.975 629 HB3 ARG 83 HB3 ARG 83 -15.440 -2.556 -3.834 630 HG2 ARG 83 HG2 ARG 83 -14.565 -4.694 -3.019 631 HG3 ARG 83 HG3 ARG 83 -15.664 -5.595 -4.079 632 HD2 ARG 83 HD2 ARG 83 -13.825 -3.512 -5.282 633 HD3 ARG 83 HD3 ARG 83 -13.125 -5.012 -4.722 634 HE ARG 83 HE ARG 83 -15.447 -5.177 -6.577 635 HH11 ARG 83 HH11 ARG 83 -11.935 -5.711 -6.137 636 HH12 ARG 83 HH12 ARG 83 -11.716 -6.151 -7.805 637 HH21 ARG 83 HH21 ARG 83 -15.182 -6.054 -8.552 638 HH22 ARG 83 HH22 ARG 83 -13.625 -6.477 -9.222 639 H GLU 84 HN GLU 84 -18.215 -5.306 -1.553 640 HA GLU 84 HA GLU 84 -20.351 -6.001 -3.488 641 HB2 GLU 84 HB2 GLU 84 -19.604 -7.174 -0.808 642 HB3 GLU 84 HB3 GLU 84 -21.248 -7.304 -1.442 643 HG2 GLU 84 HG2 GLU 84 -20.390 -8.360 -3.502 644 HG3 GLU 84 HG3 GLU 84 -18.736 -8.262 -2.861 645 H LYS 85 HN LYS 85 -21.807 -4.515 -3.620 646 HA LYS 85 HA LYS 85 -23.239 -3.645 -1.276 647 HB2 LYS 85 HB2 LYS 85 -22.149 -1.777 -3.425 648 HB3 LYS 85 HB3 LYS 85 -23.667 -1.421 -2.622 649 HG2 LYS 85 HG2 LYS 85 -20.986 -1.777 -1.196 650 HG3 LYS 85 HG3 LYS 85 -21.787 -0.257 -1.573 651 HD2 LYS 85 HD2 LYS 85 -23.828 -1.211 -0.272 652 HD3 LYS 85 HD3 LYS 85 -22.702 -2.407 0.351 653 HE2 LYS 85 HE2 LYS 85 -22.659 0.601 0.736 654 HE3 LYS 85 HE3 LYS 85 -22.987 -0.664 1.942 655 HZ1 LYS 85 HZ1 LYS 85 -20.667 -1.392 1.643 656 HZ2 LYS 85 HZ2 LYS 85 -20.782 0.157 2.215 657 HZ3 LYS 85 HZ3 LYS 85 -20.391 -0.097 0.655 Start of MODEL 16 1 H1 GLY 1 HN GLY 1 14.382 -0.573 -8.152 2 HA2 GLY 1 HA1 GLY 1 12.857 -0.854 -6.298 3 HA3 GLY 1 HA2 GLY 1 13.791 -2.278 -5.786 4 H SER 2 HN SER 2 13.277 0.089 -4.174 5 HA SER 2 HA SER 2 15.861 1.476 -3.888 6 HB2 SER 2 HB2 SER 2 13.719 2.632 -3.453 7 HB3 SER 2 HB3 SER 2 13.308 1.419 -2.249 8 HG SER 2 HG SER 2 15.005 3.618 -2.064 9 H GLU 3 HN GLU 3 16.152 1.359 -1.226 10 HA GLU 3 HA GLU 3 17.159 -1.298 -0.566 11 HB2 GLU 3 HB2 GLU 3 17.884 -0.291 1.509 12 HB3 GLU 3 HB3 GLU 3 18.418 0.596 0.104 13 HG2 GLU 3 HG2 GLU 3 17.733 2.432 1.180 14 HG3 GLU 3 HG3 GLU 3 16.117 1.999 0.648 15 H ASN 4 HN ASN 4 14.340 0.681 0.174 16 HA ASN 4 HA ASN 4 13.493 -0.568 2.493 17 HB2 ASN 4 HB2 ASN 4 11.441 0.592 2.263 18 HB3 ASN 4 HB3 ASN 4 12.615 1.604 1.450 19 HD21 ASN 4 HD21 ASN 4 11.981 2.273 -0.646 20 HD22 ASN 4 HD22 ASN 4 10.872 1.354 -1.630 21 H PHE 5 HN PHE 5 12.969 -1.680 -0.788 22 HA PHE 5 HA PHE 5 11.061 -3.569 -0.721 23 HB2 PHE 5 HB2 PHE 5 12.553 -3.040 -2.604 24 HB3 PHE 5 HB3 PHE 5 13.910 -3.770 -1.795 25 HD1 PHE 5 HD1 PHE 5 10.419 -4.688 -2.916 26 HD2 PHE 5 HD2 PHE 5 14.496 -5.952 -2.329 27 HE1 PHE 5 HE1 PHE 5 9.881 -6.942 -3.856 28 HE2 PHE 5 HE2 PHE 5 13.957 -8.166 -3.284 29 HZ PHE 5 HZ PHE 5 11.649 -8.661 -4.042 30 H GLN 6 HN GLN 6 14.264 -3.907 0.678 31 HA GLN 6 HA GLN 6 13.956 -6.737 1.215 32 HB2 GLN 6 HB2 GLN 6 16.183 -5.679 0.951 33 HB3 GLN 6 HB3 GLN 6 15.934 -4.772 2.455 34 HG2 GLN 6 HG2 GLN 6 17.335 -6.714 2.860 35 HG3 GLN 6 HG3 GLN 6 15.809 -6.890 3.715 36 HE21 GLN 6 HE21 GLN 6 14.200 -8.435 2.886 37 HE22 GLN 6 HE22 GLN 6 14.782 -9.842 2.019 38 H THR 7 HN THR 7 13.359 -3.819 3.267 39 HA THR 7 HA THR 7 12.693 -5.375 5.612 40 HB THR 7 HB THR 7 11.805 -2.605 4.696 41 HG1 THR 7 HG1 THR 7 13.753 -3.262 6.626 42 HG21 THR 7 HG21 THR 7 11.428 -2.274 7.228 43 HG22 THR 7 HG22 THR 7 11.498 -4.041 7.357 44 HG23 THR 7 HG23 THR 7 10.244 -3.269 6.378 45 H LEU 8 HN LEU 8 10.905 -4.204 2.725 46 HA LEU 8 HA LEU 8 8.320 -4.883 3.656 47 HB2 LEU 8 HB2 LEU 8 9.464 -4.886 0.830 48 HB3 LEU 8 HB3 LEU 8 7.812 -5.189 1.203 49 HG LEU 8 HG LEU 8 9.396 -2.621 1.675 50 HD11 LEU 8 HD11 LEU 8 7.054 -3.247 -0.144 51 HD12 LEU 8 HD12 LEU 8 8.746 -3.076 -0.647 52 HD13 LEU 8 HD13 LEU 8 7.890 -1.679 -0.015 53 HD21 LEU 8 HD21 LEU 8 6.470 -3.101 2.394 54 HD22 LEU 8 HD22 LEU 8 7.303 -1.544 2.422 55 HD23 LEU 8 HD23 LEU 8 7.795 -2.795 3.535 56 H LEU 9 HN LEU 9 10.590 -6.852 1.753 57 HA LEU 9 HA LEU 9 9.106 -9.244 1.566 58 HB2 LEU 9 HB2 LEU 9 12.060 -8.599 1.833 59 HB3 LEU 9 HB3 LEU 9 11.546 -10.265 1.786 60 HG LEU 9 HG LEU 9 10.979 -8.247 -0.420 61 HD11 LEU 9 HD11 LEU 9 13.367 -8.692 -0.250 62 HD12 LEU 9 HD12 LEU 9 12.736 -9.590 -1.637 63 HD13 LEU 9 HD13 LEU 9 13.081 -10.442 -0.129 64 HD21 LEU 9 HD21 LEU 9 10.456 -10.288 -1.760 65 HD22 LEU 9 HD22 LEU 9 9.303 -10.049 -0.439 66 HD23 LEU 9 HD23 LEU 9 10.588 -11.272 -0.292 67 H ASP 10 HN ASP 10 10.864 -7.874 4.251 68 HA ASP 10 HA ASP 10 10.614 -10.408 5.828 69 HB2 ASP 10 HB2 ASP 10 12.769 -9.016 5.693 70 HB3 ASP 10 HB3 ASP 10 11.992 -7.902 6.812 71 H ALA 11 HN ALA 11 8.822 -7.583 5.363 72 HA ALA 11 HA ALA 11 7.790 -7.333 8.101 73 HB1 ALA 11 HB1 ALA 11 6.964 -5.959 5.505 74 HB2 ALA 11 HB2 ALA 11 6.447 -5.518 7.146 75 HB3 ALA 11 HB3 ALA 11 8.148 -5.343 6.681 76 H GLY 12 HN GLY 12 7.288 -9.642 5.784 77 HA2 GLY 12 HA1 GLY 12 5.464 -11.268 6.403 78 HA3 GLY 12 HA2 GLY 12 4.368 -9.923 6.402 79 H LEU 13 HN LEU 13 6.028 -8.800 3.958 80 HA LEU 13 HA LEU 13 3.754 -9.527 2.412 81 HB2 LEU 13 HB2 LEU 13 6.161 -7.829 1.646 82 HB3 LEU 13 HB3 LEU 13 4.645 -7.893 0.757 83 HG LEU 13 HG LEU 13 4.889 -6.968 3.662 84 HD11 LEU 13 HD11 LEU 13 6.010 -5.398 2.311 85 HD12 LEU 13 HD12 LEU 13 4.448 -4.700 2.712 86 HD13 LEU 13 HD13 LEU 13 4.721 -5.385 1.084 87 HD21 LEU 13 HD21 LEU 13 2.636 -6.085 3.332 88 HD22 LEU 13 HD22 LEU 13 2.626 -7.827 3.133 89 HD23 LEU 13 HD23 LEU 13 2.560 -6.784 1.697 90 HA PRO 14 HA PRO 14 5.696 -12.470 -0.414 91 HB2 PRO 14 HB2 PRO 14 3.970 -12.243 -2.538 92 HB3 PRO 14 HB3 PRO 14 3.545 -13.132 -1.030 93 HG2 PRO 14 HG2 PRO 14 2.891 -10.318 -1.780 94 HG3 PRO 14 HG3 PRO 14 1.755 -11.567 -1.173 95 HD2 PRO 14 HD2 PRO 14 2.845 -9.682 0.446 96 HD3 PRO 14 HD3 PRO 14 2.623 -11.362 1.030 97 H GLN 15 HN GLN 15 6.777 -12.269 -2.569 98 HA GLN 15 HA GLN 15 8.335 -9.845 -2.700 99 HB2 GLN 15 HB2 GLN 15 9.284 -12.007 -3.243 100 HB3 GLN 15 HB3 GLN 15 8.054 -12.334 -4.469 101 HG2 GLN 15 HG2 GLN 15 8.866 -10.531 -5.875 102 HG3 GLN 15 HG3 GLN 15 10.001 -10.011 -4.631 103 HE21 GLN 15 HE21 GLN 15 10.154 -11.264 -7.514 104 HE22 GLN 15 HE22 GLN 15 11.592 -12.241 -7.322 105 H LYS 16 HN LYS 16 5.652 -11.320 -4.489 106 HA LYS 16 HA LYS 16 5.595 -9.540 -6.594 107 HB2 LYS 16 HB2 LYS 16 3.378 -11.046 -5.155 108 HB3 LYS 16 HB3 LYS 16 3.026 -10.072 -6.588 109 HG2 LYS 16 HG2 LYS 16 5.111 -12.293 -6.640 110 HG3 LYS 16 HG3 LYS 16 3.387 -12.544 -6.945 111 HD2 LYS 16 HD2 LYS 16 3.561 -10.631 -8.674 112 HD3 LYS 16 HD3 LYS 16 5.325 -10.841 -8.562 113 HE2 LYS 16 HE2 LYS 16 5.151 -13.147 -9.283 114 HE3 LYS 16 HE3 LYS 16 3.401 -13.137 -9.014 115 HZ1 LYS 16 HZ1 LYS 16 3.307 -11.397 -10.798 116 HZ2 LYS 16 HZ2 LYS 16 3.688 -12.919 -11.284 117 HZ3 LYS 16 HZ3 LYS 16 4.872 -11.762 -11.152 118 H VAL 17 HN VAL 17 4.004 -9.119 -3.423 119 HA VAL 17 HA VAL 17 2.839 -6.547 -4.097 120 HB VAL 17 HB VAL 17 3.319 -8.005 -1.458 121 HG11 VAL 17 HG11 VAL 17 1.570 -5.552 -1.918 122 HG12 VAL 17 HG12 VAL 17 1.744 -6.465 -0.425 123 HG13 VAL 17 HG13 VAL 17 3.125 -5.543 -1.038 124 HG21 VAL 17 HG21 VAL 17 0.850 -7.581 -3.200 125 HG22 VAL 17 HG22 VAL 17 1.676 -9.117 -2.954 126 HG23 VAL 17 HG23 VAL 17 0.851 -8.370 -1.599 127 H ALA 18 HN ALA 18 5.732 -7.680 -2.236 128 HA ALA 18 HA ALA 18 6.619 -5.208 -1.371 129 HB1 ALA 18 HB1 ALA 18 7.546 -7.342 -0.591 130 HB2 ALA 18 HB2 ALA 18 8.298 -7.618 -2.177 131 HB3 ALA 18 HB3 ALA 18 8.840 -6.272 -1.163 132 H GLU 19 HN GLU 19 7.357 -6.732 -4.564 133 HA GLU 19 HA GLU 19 9.198 -4.766 -5.459 134 HB2 GLU 19 HB2 GLU 19 7.214 -6.520 -6.988 135 HB3 GLU 19 HB3 GLU 19 8.325 -5.395 -7.773 136 HG2 GLU 19 HG2 GLU 19 10.112 -6.742 -6.236 137 HG3 GLU 19 HG3 GLU 19 8.905 -8.007 -6.449 138 H LYS 20 HN LYS 20 5.648 -4.909 -5.994 139 HA LYS 20 HA LYS 20 5.650 -2.422 -7.481 140 HB2 LYS 20 HB2 LYS 20 3.526 -4.291 -6.397 141 HB3 LYS 20 HB3 LYS 20 3.070 -2.666 -6.897 142 HG2 LYS 20 HG2 LYS 20 2.654 -4.073 -8.727 143 HG3 LYS 20 HG3 LYS 20 4.001 -3.050 -9.151 144 HD2 LYS 20 HD2 LYS 20 5.584 -4.904 -8.851 145 HD3 LYS 20 HD3 LYS 20 4.268 -5.954 -8.250 146 HE2 LYS 20 HE2 LYS 20 3.056 -5.613 -10.418 147 HE3 LYS 20 HE3 LYS 20 4.396 -4.631 -10.995 148 HZ1 LYS 20 HZ1 LYS 20 4.627 -7.502 -10.319 149 HZ2 LYS 20 HZ2 LYS 20 5.809 -6.536 -10.957 150 HZ3 LYS 20 HZ3 LYS 20 4.492 -6.861 -11.831 151 H LEU 21 HN LEU 21 5.290 -3.236 -4.063 152 HA LEU 21 HA LEU 21 4.159 -0.701 -3.283 153 HB2 LEU 21 HB2 LEU 21 3.818 -2.814 -2.034 154 HB3 LEU 21 HB3 LEU 21 5.553 -2.832 -1.658 155 HG LEU 21 HG LEU 21 5.410 -0.899 -0.302 156 HD11 LEU 21 HD11 LEU 21 3.331 0.249 0.282 157 HD12 LEU 21 HD12 LEU 21 2.446 -0.705 -0.900 158 HD13 LEU 21 HD13 LEU 21 3.691 0.464 -1.428 159 HD21 LEU 21 HD21 LEU 21 3.115 -2.779 0.363 160 HD22 LEU 21 HD22 LEU 21 4.012 -1.753 1.511 161 HD23 LEU 21 HD23 LEU 21 4.837 -3.082 0.680 162 H ASP 22 HN ASP 22 7.447 -2.113 -3.385 163 HA ASP 22 HA ASP 22 8.846 -0.190 -1.947 164 HB2 ASP 22 HB2 ASP 22 10.014 -2.131 -2.532 165 HB3 ASP 22 HB3 ASP 22 9.564 -2.006 -4.231 166 H GLU 23 HN GLU 23 7.811 -0.086 -5.324 167 HA GLU 23 HA GLU 23 9.145 2.225 -6.210 168 HB2 GLU 23 HB2 GLU 23 7.056 0.421 -7.141 169 HB3 GLU 23 HB3 GLU 23 6.438 2.011 -7.279 170 HG2 GLU 23 HG2 GLU 23 8.768 2.622 -8.388 171 HG3 GLU 23 HG3 GLU 23 8.784 0.875 -8.739 172 H ILE 24 HN ILE 24 6.260 1.877 -4.148 173 HA ILE 24 HA ILE 24 5.164 4.392 -4.812 174 HB ILE 24 HB ILE 24 4.743 2.694 -2.310 175 HG12 ILE 24 HG12 ILE 24 3.785 2.481 -5.153 176 HG13 ILE 24 HG13 ILE 24 4.259 1.239 -4.081 177 HG21 ILE 24 HG21 ILE 24 2.697 3.790 -1.918 178 HG22 ILE 24 HG22 ILE 24 3.870 5.062 -2.248 179 HG23 ILE 24 HG23 ILE 24 2.723 4.621 -3.506 180 HD11 ILE 24 HD11 ILE 24 1.950 0.987 -4.566 181 HD12 ILE 24 HD12 ILE 24 2.032 1.522 -2.868 182 HD13 ILE 24 HD13 ILE 24 1.585 2.662 -4.180 183 H TYR 25 HN TYR 25 7.611 3.223 -2.560 184 HA TYR 25 HA TYR 25 7.944 5.766 -1.178 185 HB2 TYR 25 HB2 TYR 25 9.534 3.220 -0.944 186 HB3 TYR 25 HB3 TYR 25 9.392 4.492 0.247 187 HD1 TYR 25 HD2 TYR 25 6.587 4.944 0.609 188 HD2 TYR 25 HD1 TYR 25 8.592 1.230 -0.112 189 HE1 TYR 25 HE2 TYR 25 4.742 3.751 1.738 190 HE2 TYR 25 HE1 TYR 25 6.785 0.010 1.033 191 HH TYR 25 HH TYR 25 5.054 0.567 2.929 192 H VAL 26 HN VAL 26 8.842 4.918 -4.185 193 HA VAL 26 HA VAL 26 11.564 6.125 -4.007 194 HB VAL 26 HB VAL 26 10.160 4.726 -6.323 195 HG11 VAL 26 HG11 VAL 26 13.052 5.688 -6.099 196 HG12 VAL 26 HG12 VAL 26 12.351 4.771 -7.448 197 HG13 VAL 26 HG13 VAL 26 11.809 6.419 -7.126 198 HG21 VAL 26 HG21 VAL 26 10.865 3.173 -4.514 199 HG22 VAL 26 HG22 VAL 26 11.851 2.952 -5.953 200 HG23 VAL 26 HG23 VAL 26 12.487 3.869 -4.564 201 H ALA 27 HN ALA 27 8.253 6.682 -5.247 202 HA ALA 27 HA ALA 27 9.093 8.714 -7.101 203 HB1 ALA 27 HB1 ALA 27 6.413 7.687 -6.138 204 HB2 ALA 27 HB2 ALA 27 6.566 9.008 -7.332 205 HB3 ALA 27 HB3 ALA 27 7.221 7.404 -7.683 206 H GLY 28 HN GLY 28 8.396 8.899 -3.687 207 HA2 GLY 28 HA1 GLY 28 8.645 10.836 -2.446 208 HA3 GLY 28 HA2 GLY 28 8.310 11.853 -3.844 209 H LEU 29 HN LEU 29 6.228 9.122 -3.442 210 HA LEU 29 HA LEU 29 3.904 10.869 -3.053 211 HB2 LEU 29 HB2 LEU 29 4.082 7.827 -3.238 212 HB3 LEU 29 HB3 LEU 29 2.601 8.782 -3.289 213 HG LEU 29 HG LEU 29 4.858 8.968 -5.322 214 HD11 LEU 29 HD11 LEU 29 2.161 7.644 -5.664 215 HD12 LEU 29 HD12 LEU 29 3.651 6.764 -5.253 216 HD13 LEU 29 HD13 LEU 29 3.535 7.650 -6.790 217 HD21 LEU 29 HD21 LEU 29 3.580 11.050 -5.257 218 HD22 LEU 29 HD22 LEU 29 2.057 10.147 -5.439 219 HD23 LEU 29 HD23 LEU 29 3.263 10.162 -6.741 220 H VAL 30 HN VAL 30 5.347 8.027 -1.359 221 HA VAL 30 HA VAL 30 4.712 9.329 1.214 222 HB VAL 30 HB VAL 30 3.880 7.156 2.131 223 HG11 VAL 30 HG11 VAL 30 1.628 7.417 1.431 224 HG12 VAL 30 HG12 VAL 30 2.386 9.031 1.338 225 HG13 VAL 30 HG13 VAL 30 2.088 8.128 -0.136 226 HG21 VAL 30 HG21 VAL 30 3.136 5.357 0.813 227 HG22 VAL 30 HG22 VAL 30 3.213 6.305 -0.686 228 HG23 VAL 30 HG23 VAL 30 4.698 5.745 0.077 229 H ALA 31 HN ALA 31 6.032 8.496 2.970 230 HA ALA 31 HA ALA 31 8.578 7.217 2.157 231 HB1 ALA 31 HB1 ALA 31 7.508 8.086 4.894 232 HB2 ALA 31 HB2 ALA 31 9.145 7.472 4.564 233 HB3 ALA 31 HB3 ALA 31 8.627 9.012 3.872 234 H HIS 32 HN HIS 32 9.215 5.130 3.163 235 HA HIS 32 HA HIS 32 7.120 3.199 3.261 236 HB2 HIS 32 HB2 HIS 32 8.815 1.638 4.082 237 HB3 HIS 32 HB3 HIS 32 9.296 2.501 2.627 238 HD1 HIS 32 HD1 HIS 32 10.382 1.949 6.194 239 HD2 HIS 32 HD2 HIS 32 11.333 4.261 2.804 240 HE1 HIS 32 HE1 HIS 32 12.634 3.056 6.701 241 H SER 33 HN SER 33 8.426 5.253 5.806 242 HA SER 33 HA SER 33 6.741 3.832 7.778 243 HB2 SER 33 HB2 SER 33 9.282 4.278 7.944 244 HB3 SER 33 HB3 SER 33 8.820 5.936 8.358 245 HG SER 33 HG SER 33 8.037 3.509 9.657 246 H ASP 34 HN ASP 34 5.857 5.982 5.605 247 HA ASP 34 HA ASP 34 4.756 8.140 7.239 248 HB2 ASP 34 HB2 ASP 34 4.574 7.271 4.408 249 HB3 ASP 34 HB3 ASP 34 3.056 7.833 5.015 250 H LEU 35 HN LEU 35 3.921 4.821 6.636 251 HA LEU 35 HA LEU 35 1.081 5.074 7.183 252 HB2 LEU 35 HB2 LEU 35 2.797 2.600 6.802 253 HB3 LEU 35 HB3 LEU 35 1.057 2.681 6.792 254 HG LEU 35 HG LEU 35 1.596 2.438 4.588 255 HD11 LEU 35 HD11 LEU 35 -0.017 4.285 4.978 256 HD12 LEU 35 HD12 LEU 35 0.858 4.425 3.438 257 HD13 LEU 35 HD13 LEU 35 1.312 5.460 4.800 258 HD21 LEU 35 HD21 LEU 35 4.029 2.922 4.699 259 HD22 LEU 35 HD22 LEU 35 3.670 4.662 4.567 260 HD23 LEU 35 HD23 LEU 35 3.209 3.551 3.276 261 H ASP 36 HN ASP 36 0.215 3.209 8.775 262 HA ASP 36 HA ASP 36 1.919 2.933 11.167 263 HB2 ASP 36 HB2 ASP 36 -1.054 3.417 11.464 264 HB3 ASP 36 HB3 ASP 36 0.164 3.373 12.712 265 H GLU 37 HN GLU 37 0.768 1.293 12.635 266 HA GLU 37 HA GLU 37 1.036 -1.169 11.632 267 HB2 GLU 37 HB2 GLU 37 0.788 -0.411 14.045 268 HB3 GLU 37 HB3 GLU 37 -0.949 -0.392 13.810 269 HG2 GLU 37 HG2 GLU 37 -0.542 -2.379 14.926 270 HG3 GLU 37 HG3 GLU 37 -0.779 -2.901 13.260 271 H ARG 38 HN ARG 38 -2.220 0.373 11.709 272 HA ARG 38 HA ARG 38 -3.586 -1.949 10.814 273 HB2 ARG 38 HB2 ARG 38 -4.464 0.892 10.183 274 HB3 ARG 38 HB3 ARG 38 -5.454 -0.570 10.221 275 HG2 ARG 38 HG2 ARG 38 -4.682 -0.697 12.743 276 HG3 ARG 38 HG3 ARG 38 -4.255 0.994 12.498 277 HD2 ARG 38 HD2 ARG 38 -6.378 1.403 13.151 278 HD3 ARG 38 HD3 ARG 38 -6.781 1.042 11.480 279 HE ARG 38 HE ARG 38 -6.717 -1.318 13.184 280 HH11 ARG 38 HH11 ARG 38 -8.891 1.198 12.009 281 HH12 ARG 38 HH12 ARG 38 -10.159 0.900 13.167 282 HH21 ARG 38 HH21 ARG 38 -8.597 -2.089 14.343 283 HH22 ARG 38 HH22 ARG 38 -10.064 -1.156 14.303 284 H ALA 39 HN ALA 39 -1.490 0.151 8.993 285 HA ALA 39 HA ALA 39 -2.474 -0.494 6.348 286 HB1 ALA 39 HB1 ALA 39 0.270 0.489 7.190 287 HB2 ALA 39 HB2 ALA 39 -0.411 0.479 5.562 288 HB3 ALA 39 HB3 ALA 39 -1.119 1.536 6.807 289 H ILE 40 HN ILE 40 0.407 -1.577 8.257 290 HA ILE 40 HA ILE 40 1.181 -3.679 6.547 291 HB ILE 40 HB ILE 40 1.491 -3.391 9.579 292 HG12 ILE 40 HG12 ILE 40 3.932 -2.745 8.526 293 HG13 ILE 40 HG13 ILE 40 2.901 -2.151 7.231 294 HG21 ILE 40 HG21 ILE 40 2.010 -5.697 8.863 295 HG22 ILE 40 HG22 ILE 40 3.143 -5.054 7.647 296 HG23 ILE 40 HG23 ILE 40 3.452 -4.840 9.384 297 HD11 ILE 40 HD11 ILE 40 2.716 -1.369 10.162 298 HD12 ILE 40 HD12 ILE 40 3.516 -0.428 8.891 299 HD13 ILE 40 HD13 ILE 40 1.764 -0.670 8.832 300 H GLU 41 HN GLU 41 -1.025 -3.785 9.359 301 HA GLU 41 HA GLU 41 -1.641 -6.521 9.385 302 HB2 GLU 41 HB2 GLU 41 -2.311 -5.008 11.143 303 HB3 GLU 41 HB3 GLU 41 -3.150 -3.955 10.002 304 HG2 GLU 41 HG2 GLU 41 -4.876 -5.731 9.661 305 HG3 GLU 41 HG3 GLU 41 -4.098 -6.697 10.922 306 H ALA 42 HN ALA 42 -3.164 -3.901 7.474 307 HA ALA 42 HA ALA 42 -5.211 -5.575 6.319 308 HB1 ALA 42 HB1 ALA 42 -3.983 -3.005 5.292 309 HB2 ALA 42 HB2 ALA 42 -5.519 -3.702 4.748 310 HB3 ALA 42 HB3 ALA 42 -5.364 -3.072 6.403 311 H LEU 43 HN LEU 43 -1.942 -4.514 5.214 312 HA LEU 43 HA LEU 43 -2.083 -5.482 2.601 313 HB2 LEU 43 HB2 LEU 43 0.172 -5.138 4.578 314 HB3 LEU 43 HB3 LEU 43 0.487 -5.956 3.071 315 HG LEU 43 HG LEU 43 -0.804 -3.225 3.180 316 HD11 LEU 43 HD11 LEU 43 1.433 -3.101 4.215 317 HD12 LEU 43 HD12 LEU 43 1.383 -2.245 2.669 318 HD13 LEU 43 HD13 LEU 43 2.142 -3.846 2.768 319 HD21 LEU 43 HD21 LEU 43 0.574 -4.754 0.926 320 HD22 LEU 43 HD22 LEU 43 0.039 -3.066 0.812 321 HD23 LEU 43 HD23 LEU 43 -1.153 -4.353 1.018 322 H LYS 44 HN LYS 44 -1.513 -7.379 5.582 323 HA LYS 44 HA LYS 44 -1.012 -9.842 4.144 324 HB2 LYS 44 HB2 LYS 44 -1.498 -9.093 7.018 325 HB3 LYS 44 HB3 LYS 44 -1.914 -10.733 6.522 326 HG2 LYS 44 HG2 LYS 44 0.225 -11.004 7.176 327 HG3 LYS 44 HG3 LYS 44 0.361 -10.933 5.449 328 HD2 LYS 44 HD2 LYS 44 2.168 -9.699 6.195 329 HD3 LYS 44 HD3 LYS 44 1.048 -8.467 5.730 330 HE2 LYS 44 HE2 LYS 44 1.991 -7.773 7.792 331 HE3 LYS 44 HE3 LYS 44 0.316 -8.218 8.131 332 HZ1 LYS 44 HZ1 LYS 44 1.879 -9.049 9.790 333 HZ2 LYS 44 HZ2 LYS 44 2.722 -9.869 8.683 334 HZ3 LYS 44 HZ3 LYS 44 1.178 -10.336 9.010 335 H GLU 45 HN GLU 45 -4.044 -8.146 4.988 336 HA GLU 45 HA GLU 45 -5.648 -10.556 4.931 337 HB2 GLU 45 HB2 GLU 45 -6.452 -7.642 4.780 338 HB3 GLU 45 HB3 GLU 45 -7.582 -8.980 4.660 339 HG2 GLU 45 HG2 GLU 45 -6.597 -9.798 6.902 340 HG3 GLU 45 HG3 GLU 45 -5.937 -8.173 7.059 341 H PHE 46 HN PHE 46 -4.215 -8.671 2.450 342 HA PHE 46 HA PHE 46 -6.147 -9.505 0.416 343 HB2 PHE 46 HB2 PHE 46 -3.608 -7.867 0.224 344 HB3 PHE 46 HB3 PHE 46 -4.727 -8.194 -1.111 345 HD1 PHE 46 HD1 PHE 46 -7.198 -7.439 -0.814 346 HD2 PHE 46 HD2 PHE 46 -3.967 -6.019 1.631 347 HE1 PHE 46 HE1 PHE 46 -8.622 -5.577 -0.051 348 HE2 PHE 46 HE2 PHE 46 -5.378 -4.180 2.450 349 HZ PHE 46 HZ PHE 46 -7.741 -3.961 1.632 350 H ASN 47 HN ASN 47 -5.721 -10.795 -1.129 351 HA ASN 47 HA ASN 47 -3.611 -12.828 -1.150 352 HB2 ASN 47 HB2 ASN 47 -4.691 -13.581 -3.248 353 HB3 ASN 47 HB3 ASN 47 -5.874 -13.368 -1.994 354 HD21 ASN 47 HD21 ASN 47 -5.772 -12.984 -5.213 355 HD22 ASN 47 HD22 ASN 47 -6.770 -11.537 -5.301 356 H GLU 48 HN GLU 48 -2.594 -13.154 -3.440 357 HA GLU 48 HA GLU 48 -0.669 -11.337 -3.994 358 HB2 GLU 48 HB2 GLU 48 -1.060 -13.822 -4.641 359 HB3 GLU 48 HB3 GLU 48 -1.960 -13.219 -6.031 360 HG2 GLU 48 HG2 GLU 48 0.086 -11.845 -6.612 361 HG3 GLU 48 HG3 GLU 48 0.900 -12.666 -5.257 362 H ASP 49 HN ASP 49 -3.544 -11.884 -6.076 363 HA ASP 49 HA ASP 49 -2.946 -9.687 -7.800 364 HB2 ASP 49 HB2 ASP 49 -4.444 -11.946 -8.010 365 HB3 ASP 49 HB3 ASP 49 -5.724 -10.788 -7.671 366 H GLY 50 HN GLY 50 -5.200 -10.082 -5.023 367 HA2 GLY 50 HA1 GLY 50 -6.621 -7.657 -5.472 368 HA3 GLY 50 HA2 GLY 50 -6.565 -8.589 -3.970 369 H ALA 51 HN ALA 51 -3.704 -8.434 -3.503 370 HA ALA 51 HA ALA 51 -3.449 -5.864 -2.271 371 HB1 ALA 51 HB1 ALA 51 -1.370 -7.955 -3.040 372 HB2 ALA 51 HB2 ALA 51 -1.061 -6.539 -1.998 373 HB3 ALA 51 HB3 ALA 51 -2.176 -7.805 -1.472 374 H LEU 52 HN LEU 52 -2.196 -7.233 -5.367 375 HA LEU 52 HA LEU 52 -0.644 -4.972 -6.105 376 HB2 LEU 52 HB2 LEU 52 -2.057 -7.110 -7.741 377 HB3 LEU 52 HB3 LEU 52 -1.125 -5.840 -8.509 378 HG LEU 52 HG LEU 52 0.075 -7.561 -6.326 379 HD11 LEU 52 HD11 LEU 52 -0.696 -9.111 -8.055 380 HD12 LEU 52 HD12 LEU 52 1.063 -8.989 -8.110 381 HD13 LEU 52 HD13 LEU 52 0.085 -8.129 -9.315 382 HD21 LEU 52 HD21 LEU 52 2.217 -6.971 -7.361 383 HD22 LEU 52 HD22 LEU 52 1.331 -5.514 -6.891 384 HD23 LEU 52 HD23 LEU 52 1.369 -6.018 -8.588 385 H ALA 53 HN ALA 53 -4.137 -5.577 -6.559 386 HA ALA 53 HA ALA 53 -4.596 -3.222 -8.092 387 HB1 ALA 53 HB1 ALA 53 -6.469 -4.732 -6.213 388 HB2 ALA 53 HB2 ALA 53 -6.959 -3.525 -7.408 389 HB3 ALA 53 HB3 ALA 53 -6.222 -5.032 -7.953 390 H VAL 54 HN VAL 54 -4.770 -3.709 -4.507 391 HA VAL 54 HA VAL 54 -5.475 -1.069 -3.763 392 HB VAL 54 HB VAL 54 -3.757 -3.185 -2.463 393 HG11 VAL 54 HG11 VAL 54 -2.978 -1.094 -1.487 394 HG12 VAL 54 HG12 VAL 54 -4.672 -0.708 -1.062 395 HG13 VAL 54 HG13 VAL 54 -3.837 -2.112 -0.345 396 HG21 VAL 54 HG21 VAL 54 -6.490 -2.168 -1.644 397 HG22 VAL 54 HG22 VAL 54 -6.236 -3.628 -2.642 398 HG23 VAL 54 HG23 VAL 54 -5.626 -3.562 -0.984 399 H LEU 55 HN LEU 55 -2.382 -2.380 -4.884 400 HA LEU 55 HA LEU 55 -0.847 -0.069 -4.026 401 HB2 LEU 55 HB2 LEU 55 -0.071 -2.330 -5.912 402 HB3 LEU 55 HB3 LEU 55 0.994 -1.067 -5.325 403 HG LEU 55 HG LEU 55 -0.307 -3.266 -3.675 404 HD11 LEU 55 HD11 LEU 55 1.618 -3.936 -4.976 405 HD12 LEU 55 HD12 LEU 55 2.058 -3.873 -3.264 406 HD13 LEU 55 HD13 LEU 55 2.550 -2.565 -4.346 407 HD21 LEU 55 HD21 LEU 55 1.016 -2.327 -1.750 408 HD22 LEU 55 HD22 LEU 55 -0.398 -1.383 -2.200 409 HD23 LEU 55 HD23 LEU 55 1.209 -0.834 -2.712 410 H GLN 56 HN GLN 56 -1.878 -1.394 -7.205 411 HA GLN 56 HA GLN 56 -0.824 0.652 -8.736 412 HB2 GLN 56 HB2 GLN 56 -1.903 -0.257 -10.548 413 HB3 GLN 56 HB3 GLN 56 -1.810 -1.608 -9.444 414 HG2 GLN 56 HG2 GLN 56 -3.888 -1.778 -10.478 415 HG3 GLN 56 HG3 GLN 56 -4.196 -1.257 -8.835 416 HE21 GLN 56 HE21 GLN 56 -6.343 -0.456 -9.423 417 HE22 GLN 56 HE22 GLN 56 -6.517 0.964 -10.441 418 H GLN 57 HN GLN 57 -4.016 0.513 -7.124 419 HA GLN 57 HA GLN 57 -5.000 2.866 -8.388 420 HB2 GLN 57 HB2 GLN 57 -6.236 0.961 -7.146 421 HB3 GLN 57 HB3 GLN 57 -5.807 1.777 -5.639 422 HG2 GLN 57 HG2 GLN 57 -6.947 3.836 -6.568 423 HG3 GLN 57 HG3 GLN 57 -7.418 2.884 -7.972 424 HE21 GLN 57 HE21 GLN 57 -7.950 3.526 -4.568 425 HE22 GLN 57 HE22 GLN 57 -9.317 2.447 -4.273 426 H PHE 58 HN PHE 58 -3.041 2.335 -5.540 427 HA PHE 58 HA PHE 58 -3.421 4.925 -4.356 428 HB2 PHE 58 HB2 PHE 58 -2.700 2.899 -3.153 429 HB3 PHE 58 HB3 PHE 58 -1.115 3.016 -3.907 430 HD1 PHE 58 HD1 PHE 58 -3.355 5.696 -2.330 431 HD2 PHE 58 HD2 PHE 58 0.377 3.520 -2.147 432 HE1 PHE 58 HE1 PHE 58 -2.582 7.134 -0.482 433 HE2 PHE 58 HE2 PHE 58 1.095 4.938 -0.271 434 HZ PHE 58 HZ PHE 58 -0.383 6.745 0.569 435 H LYS 59 HN LYS 59 -0.644 3.511 -6.328 436 HA LYS 59 HA LYS 59 0.781 6.018 -6.382 437 HB2 LYS 59 HB2 LYS 59 0.845 3.575 -8.173 438 HB3 LYS 59 HB3 LYS 59 1.719 5.055 -8.580 439 HG2 LYS 59 HG2 LYS 59 2.613 4.692 -6.034 440 HG3 LYS 59 HG3 LYS 59 2.195 3.040 -6.481 441 HD2 LYS 59 HD2 LYS 59 4.419 3.092 -7.134 442 HD3 LYS 59 HD3 LYS 59 3.644 3.554 -8.646 443 HE2 LYS 59 HE2 LYS 59 4.083 5.915 -8.186 444 HE3 LYS 59 HE3 LYS 59 4.753 5.542 -6.590 445 HZ1 LYS 59 HZ1 LYS 59 6.716 4.783 -7.557 446 HZ2 LYS 59 HZ2 LYS 59 6.277 5.870 -8.697 447 HZ3 LYS 59 HZ3 LYS 59 6.013 4.323 -8.979 448 H ASP 60 HN ASP 60 -1.812 4.652 -8.490 449 HA ASP 60 HA ASP 60 -1.739 7.046 -10.132 450 HB2 ASP 60 HB2 ASP 60 -2.425 4.594 -10.784 451 HB3 ASP 60 HB3 ASP 60 -4.018 5.077 -10.202 452 H SER 61 HN SER 61 -2.722 6.921 -7.008 453 HA SER 61 HA SER 61 -5.378 8.052 -7.346 454 HB2 SER 61 HB2 SER 61 -5.453 8.340 -4.955 455 HB3 SER 61 HB3 SER 61 -4.915 6.714 -5.337 456 HG SER 61 HG SER 61 -2.749 7.447 -4.924 457 H ASP 62 HN ASP 62 -5.893 10.148 -6.127 458 HA ASP 62 HA ASP 62 -4.073 12.238 -7.167 459 HB2 ASP 62 HB2 ASP 62 -6.503 12.258 -7.848 460 HB3 ASP 62 HB3 ASP 62 -6.912 12.620 -6.164 461 H LEU 63 HN LEU 63 -2.544 12.387 -5.647 462 HA LEU 63 HA LEU 63 -3.297 12.676 -2.779 463 HB2 LEU 63 HB2 LEU 63 -0.616 12.170 -4.123 464 HB3 LEU 63 HB3 LEU 63 -0.826 12.374 -2.390 465 HG LEU 63 HG LEU 63 -2.190 10.173 -3.992 466 HD11 LEU 63 HD11 LEU 63 0.189 9.835 -4.115 467 HD12 LEU 63 HD12 LEU 63 -0.495 8.671 -2.970 468 HD13 LEU 63 HD13 LEU 63 0.381 10.101 -2.368 469 HD21 LEU 63 HD21 LEU 63 -1.716 10.356 -0.979 470 HD22 LEU 63 HD22 LEU 63 -2.645 9.132 -1.881 471 HD23 LEU 63 HD23 LEU 63 -3.253 10.770 -1.781 472 H SER 64 HN SER 64 -3.761 14.766 -4.924 473 HA SER 64 HA SER 64 -1.724 16.744 -4.635 474 HB2 SER 64 HB2 SER 64 -3.504 16.471 -6.473 475 HB3 SER 64 HB3 SER 64 -4.626 17.283 -5.358 476 HG SER 64 HG SER 64 -3.716 18.773 -6.673 477 H HIS 65 HN HIS 65 -4.747 16.111 -2.765 478 HA HIS 65 HA HIS 65 -4.022 18.357 -0.943 479 HB2 HIS 65 HB2 HIS 65 -6.802 17.653 -1.900 480 HB3 HIS 65 HB3 HIS 65 -6.343 19.000 -0.862 481 HD1 HIS 65 HD1 HIS 65 -7.744 18.900 -3.933 482 HD2 HIS 65 HD2 HIS 65 -3.963 20.303 -2.645 483 HE1 HIS 65 HE1 HIS 65 -7.080 20.719 -5.550 484 H VAL 66 HN VAL 66 -3.649 15.401 -0.765 485 HA VAL 66 HA VAL 66 -5.196 14.535 1.531 486 HB VAL 66 HB VAL 66 -4.155 12.976 0.012 487 HG11 VAL 66 HG11 VAL 66 -2.159 14.236 -0.643 488 HG12 VAL 66 HG12 VAL 66 -1.428 13.946 0.940 489 HG13 VAL 66 HG13 VAL 66 -1.790 12.585 -0.173 490 HG21 VAL 66 HG21 VAL 66 -2.674 12.692 2.664 491 HG22 VAL 66 HG22 VAL 66 -4.386 12.270 2.413 492 HG23 VAL 66 HG23 VAL 66 -3.098 11.426 1.521 493 H GLN 67 HN GLN 67 -4.046 14.149 3.657 494 HA GLN 67 HA GLN 67 -2.121 16.315 4.387 495 HB2 GLN 67 HB2 GLN 67 -4.559 15.315 5.926 496 HB3 GLN 67 HB3 GLN 67 -3.295 16.327 6.623 497 HG2 GLN 67 HG2 GLN 67 -3.849 18.173 5.184 498 HG3 GLN 67 HG3 GLN 67 -4.911 17.182 4.184 499 HE21 GLN 67 HE21 GLN 67 -7.020 16.401 5.092 500 HE22 GLN 67 HE22 GLN 67 -7.642 17.202 6.499 501 H ASN 68 HN ASN 68 -3.491 13.794 6.430 502 HA ASN 68 HA ASN 68 -0.934 12.615 6.933 503 HB2 ASN 68 HB2 ASN 68 -3.096 10.750 7.585 504 HB3 ASN 68 HB3 ASN 68 -1.885 11.492 8.583 505 HD21 ASN 68 HD21 ASN 68 -5.061 12.422 6.924 506 HD22 ASN 68 HD22 ASN 68 -5.601 13.124 8.445 507 H LYS 69 HN LYS 69 0.141 11.281 5.518 508 HA LYS 69 HA LYS 69 -1.113 10.225 3.159 509 HB2 LYS 69 HB2 LYS 69 1.474 9.444 4.569 510 HB3 LYS 69 HB3 LYS 69 0.984 8.910 2.967 511 HG2 LYS 69 HG2 LYS 69 1.612 11.759 3.842 512 HG3 LYS 69 HG3 LYS 69 2.609 10.739 2.821 513 HD2 LYS 69 HD2 LYS 69 0.560 10.688 1.212 514 HD3 LYS 69 HD3 LYS 69 -0.029 12.091 2.117 515 HE2 LYS 69 HE2 LYS 69 2.750 11.890 0.879 516 HE3 LYS 69 HE3 LYS 69 1.386 12.555 -0.013 517 HZ1 LYS 69 HZ1 LYS 69 2.108 13.676 2.605 518 HZ2 LYS 69 HZ2 LYS 69 1.417 14.447 1.328 519 HZ3 LYS 69 HZ3 LYS 69 3.019 14.020 1.321 520 H SER 70 HN SER 70 -0.577 8.857 6.331 521 HA SER 70 HA SER 70 -0.853 6.087 5.817 522 HB2 SER 70 HB2 SER 70 -1.967 6.886 8.388 523 HB3 SER 70 HB3 SER 70 -0.574 5.886 8.026 524 HG SER 70 HG SER 70 0.726 7.663 8.099 525 H ALA 71 HN ALA 71 -3.174 8.564 6.940 526 HA ALA 71 HA ALA 71 -5.395 6.879 6.995 527 HB1 ALA 71 HB1 ALA 71 -6.636 9.098 7.093 528 HB2 ALA 71 HB2 ALA 71 -5.252 9.044 8.204 529 HB3 ALA 71 HB3 ALA 71 -5.144 9.918 6.656 530 H PHE 72 HN PHE 72 -3.900 8.348 4.238 531 HA PHE 72 HA PHE 72 -6.365 8.136 2.592 532 HB2 PHE 72 HB2 PHE 72 -4.418 9.741 2.250 533 HB3 PHE 72 HB3 PHE 72 -3.508 8.385 1.613 534 HD1 PHE 72 HD2 PHE 72 -4.956 6.985 -0.345 535 HD2 PHE 72 HD1 PHE 72 -5.450 11.141 0.736 536 HE1 PHE 72 HE2 PHE 72 -5.701 7.515 -2.634 537 HE2 PHE 72 HE1 PHE 72 -6.013 11.682 -1.576 538 HZ PHE 72 HZ PHE 72 -6.192 9.868 -3.279 539 H LEU 73 HN LEU 73 -3.311 6.390 3.041 540 HA LEU 73 HA LEU 73 -3.735 4.407 0.992 541 HB2 LEU 73 HB2 LEU 73 -1.546 4.943 1.757 542 HB3 LEU 73 HB3 LEU 73 -1.908 4.635 3.434 543 HG LEU 73 HG LEU 73 -0.505 2.896 2.074 544 HD11 LEU 73 HD11 LEU 73 -1.370 2.683 4.342 545 HD12 LEU 73 HD12 LEU 73 -0.895 1.270 3.418 546 HD13 LEU 73 HD13 LEU 73 -2.640 1.648 3.648 547 HD21 LEU 73 HD21 LEU 73 -3.081 1.815 1.049 548 HD22 LEU 73 HD22 LEU 73 -1.415 1.290 0.752 549 HD23 LEU 73 HD23 LEU 73 -1.962 2.836 0.115 550 H CYS 74 HN CYS 74 -3.938 4.361 4.491 551 HA CYS 74 HA CYS 74 -4.835 1.725 4.716 552 HB2 CYS 74 HB2 CYS 74 -3.878 3.383 6.498 553 HB3 CYS 74 HB3 CYS 74 -5.543 3.904 6.745 554 HG CYS 74 HG CYS 74 -6.477 1.712 7.616 555 H GLY 75 HN GLY 75 -6.628 4.592 3.754 556 HA2 GLY 75 HA1 GLY 75 -9.302 3.584 4.313 557 HA3 GLY 75 HA2 GLY 75 -8.874 5.000 3.372 558 H VAL 76 HN VAL 76 -7.324 4.136 1.293 559 HA VAL 76 HA VAL 76 -8.978 2.927 -0.547 560 HB VAL 76 HB VAL 76 -5.916 2.772 -0.493 561 HG11 VAL 76 HG11 VAL 76 -6.180 2.376 -2.997 562 HG12 VAL 76 HG12 VAL 76 -6.445 0.995 -1.918 563 HG13 VAL 76 HG13 VAL 76 -7.832 1.860 -2.591 564 HG21 VAL 76 HG21 VAL 76 -7.780 4.574 -2.044 565 HG22 VAL 76 HG22 VAL 76 -6.859 5.071 -0.619 566 HG23 VAL 76 HG23 VAL 76 -6.005 4.591 -2.090 567 H MET 77 HN MET 77 -6.567 1.231 1.489 568 HA MET 77 HA MET 77 -7.085 -1.393 0.583 569 HB2 MET 77 HB2 MET 77 -6.498 -0.556 3.442 570 HB3 MET 77 HB3 MET 77 -6.305 -2.163 2.759 571 HG2 MET 77 HG2 MET 77 -4.711 -0.625 1.072 572 HG3 MET 77 HG3 MET 77 -4.597 0.221 2.575 573 HE1 MET 77 HE1 MET 77 -1.430 -1.078 3.331 574 HE2 MET 77 HE2 MET 77 -1.541 -1.376 1.576 575 HE3 MET 77 HE3 MET 77 -2.308 0.052 2.273 576 H LYS 78 HN LYS 78 -8.835 0.466 3.160 577 HA LYS 78 HA LYS 78 -10.439 -1.828 3.879 578 HB2 LYS 78 HB2 LYS 78 -10.107 0.774 5.003 579 HB3 LYS 78 HB3 LYS 78 -11.780 0.683 4.446 580 HG2 LYS 78 HG2 LYS 78 -11.875 -1.672 5.505 581 HG3 LYS 78 HG3 LYS 78 -10.336 -1.313 6.266 582 HD2 LYS 78 HD2 LYS 78 -12.906 0.255 6.721 583 HD3 LYS 78 HD3 LYS 78 -12.338 -1.110 7.699 584 HE2 LYS 78 HE2 LYS 78 -10.129 0.233 7.940 585 HE3 LYS 78 HE3 LYS 78 -11.081 1.632 7.437 586 HZ1 LYS 78 HZ1 LYS 78 -12.498 1.307 9.366 587 HZ2 LYS 78 HZ2 LYS 78 -10.916 1.288 9.851 588 HZ3 LYS 78 HZ3 LYS 78 -11.723 -0.122 9.719 589 H THR 79 HN THR 79 -11.031 0.968 1.689 590 HA THR 79 HA THR 79 -13.654 0.066 1.066 591 HB THR 79 HB THR 79 -11.761 1.521 -0.848 592 HG1 THR 79 HG1 THR 79 -12.761 2.332 1.598 593 HG21 THR 79 HG21 THR 79 -14.012 0.890 -1.697 594 HG22 THR 79 HG22 THR 79 -13.891 2.642 -1.507 595 HG23 THR 79 HG23 THR 79 -14.739 1.667 -0.276 596 H TYR 80 HN TYR 80 -10.462 -0.890 -0.400 597 HA TYR 80 HA TYR 80 -11.482 -2.389 -2.518 598 HB2 TYR 80 HB2 TYR 80 -8.942 -2.368 -0.991 599 HB3 TYR 80 HB3 TYR 80 -9.321 -3.908 -1.733 600 HD1 TYR 80 HD2 TYR 80 -9.759 -4.102 -4.183 601 HD2 TYR 80 HD1 TYR 80 -8.294 -0.489 -2.363 602 HE1 TYR 80 HE2 TYR 80 -9.015 -3.312 -6.390 603 HE2 TYR 80 HE1 TYR 80 -7.452 0.302 -4.523 604 HH TYR 80 HH TYR 80 -7.876 -1.632 -7.582 605 H ARG 81 HN ARG 81 -10.643 -3.642 0.817 606 HA ARG 81 HA ARG 81 -11.658 -6.236 0.305 607 HB2 ARG 81 HB2 ARG 81 -11.676 -6.581 2.733 608 HB3 ARG 81 HB3 ARG 81 -10.115 -6.154 2.038 609 HG2 ARG 81 HG2 ARG 81 -10.252 -3.938 2.870 610 HG3 ARG 81 HG3 ARG 81 -11.981 -4.131 3.123 611 HD2 ARG 81 HD2 ARG 81 -11.164 -4.073 5.287 612 HD3 ARG 81 HD3 ARG 81 -11.418 -5.776 4.981 613 HE ARG 81 HE ARG 81 -9.287 -6.150 5.492 614 HH11 ARG 81 HH11 ARG 81 -9.129 -2.917 4.225 615 HH12 ARG 81 HH12 ARG 81 -8.021 -2.292 5.429 616 HH21 ARG 81 HH21 ARG 81 -7.812 -5.515 6.925 617 HH22 ARG 81 HH22 ARG 81 -7.131 -3.918 7.099 618 H GLN 82 HN GLN 82 -13.276 -3.322 1.420 619 HA GLN 82 HA GLN 82 -15.837 -4.746 1.777 620 HB2 GLN 82 HB2 GLN 82 -14.744 -2.062 2.721 621 HB3 GLN 82 HB3 GLN 82 -16.392 -2.600 2.896 622 HG2 GLN 82 HG2 GLN 82 -15.603 -4.642 4.124 623 HG3 GLN 82 HG3 GLN 82 -13.970 -4.006 4.050 624 HE21 GLN 82 HE21 GLN 82 -17.165 -3.526 5.462 625 HE22 GLN 82 HE22 GLN 82 -16.628 -2.671 6.891 626 H ARG 83 HN ARG 83 -15.078 -4.241 -0.847 627 HA ARG 83 HA ARG 83 -16.716 -2.049 -1.972 628 HB2 ARG 83 HB2 ARG 83 -14.963 -4.156 -3.211 629 HB3 ARG 83 HB3 ARG 83 -16.253 -3.464 -4.174 630 HG2 ARG 83 HG2 ARG 83 -15.009 -1.245 -2.894 631 HG3 ARG 83 HG3 ARG 83 -13.698 -2.291 -3.442 632 HD2 ARG 83 HD2 ARG 83 -14.468 -2.225 -5.708 633 HD3 ARG 83 HD3 ARG 83 -16.027 -1.567 -5.269 634 HE ARG 83 HE ARG 83 -13.463 -0.178 -5.415 635 HH11 ARG 83 HH11 ARG 83 -16.933 -0.015 -4.472 636 HH12 ARG 83 HH12 ARG 83 -16.979 1.678 -4.311 637 HH21 ARG 83 HH21 ARG 83 -13.555 2.147 -5.341 638 HH22 ARG 83 HH22 ARG 83 -14.984 2.965 -4.789 639 H GLU 84 HN GLU 84 -18.474 -2.675 -0.664 640 HA GLU 84 HA GLU 84 -20.381 -4.524 -2.010 641 HB2 GLU 84 HB2 GLU 84 -20.608 -2.897 0.564 642 HB3 GLU 84 HB3 GLU 84 -21.851 -3.972 -0.107 643 HG2 GLU 84 HG2 GLU 84 -20.187 -5.867 0.077 644 HG3 GLU 84 HG3 GLU 84 -19.082 -4.768 0.920 645 H LYS 85 HN LYS 85 -20.499 -3.362 -3.902 646 HA LYS 85 HA LYS 85 -20.528 -1.757 -5.414 647 HB2 LYS 85 HB2 LYS 85 -21.919 0.091 -3.457 648 HB3 LYS 85 HB3 LYS 85 -21.551 0.462 -5.132 649 HG2 LYS 85 HG2 LYS 85 -23.357 -1.793 -4.240 650 HG3 LYS 85 HG3 LYS 85 -23.896 -0.197 -4.725 651 HD2 LYS 85 HD2 LYS 85 -22.210 -1.684 -6.724 652 HD3 LYS 85 HD3 LYS 85 -23.804 -2.326 -6.379 653 HE2 LYS 85 HE2 LYS 85 -24.758 -0.001 -6.826 654 HE3 LYS 85 HE3 LYS 85 -23.145 0.469 -7.406 655 HZ1 LYS 85 HZ1 LYS 85 -23.305 -1.299 -9.041 656 HZ2 LYS 85 HZ2 LYS 85 -24.564 -0.287 -9.247 657 HZ3 LYS 85 HZ3 LYS 85 -24.822 -1.712 -8.491 Start of MODEL 17 1 H1 GLY 1 HN GLY 1 14.722 -2.016 -8.090 2 HA2 GLY 1 HA1 GLY 1 12.652 -0.063 -7.248 3 HA3 GLY 1 HA2 GLY 1 12.913 -1.676 -6.535 4 H SER 2 HN SER 2 13.327 -0.876 -4.424 5 HA SER 2 HA SER 2 15.774 0.767 -4.107 6 HB2 SER 2 HB2 SER 2 13.274 1.614 -3.637 7 HB3 SER 2 HB3 SER 2 13.473 0.677 -2.168 8 HG SER 2 HG SER 2 14.077 2.762 -1.752 9 H GLU 3 HN GLU 3 16.229 0.738 -1.679 10 HA GLU 3 HA GLU 3 17.032 -1.870 -0.766 11 HB2 GLU 3 HB2 GLU 3 17.805 -0.649 1.223 12 HB3 GLU 3 HB3 GLU 3 18.327 0.117 -0.271 13 HG2 GLU 3 HG2 GLU 3 15.889 1.424 0.222 14 HG3 GLU 3 HG3 GLU 3 16.451 1.077 1.838 15 H ASN 4 HN ASN 4 14.047 -0.012 -0.455 16 HA ASN 4 HA ASN 4 13.282 -1.218 2.074 17 HB2 ASN 4 HB2 ASN 4 11.283 -0.087 1.959 18 HB3 ASN 4 HB3 ASN 4 12.444 1.022 1.237 19 HD21 ASN 4 HD21 ASN 4 11.972 1.806 -0.833 20 HD22 ASN 4 HD22 ASN 4 10.796 1.062 -1.898 21 H PHE 5 HN PHE 5 12.828 -2.074 -1.351 22 HA PHE 5 HA PHE 5 10.895 -3.861 -1.389 23 HB2 PHE 5 HB2 PHE 5 12.395 -3.310 -3.278 24 HB3 PHE 5 HB3 PHE 5 13.679 -4.227 -2.548 25 HD1 PHE 5 HD2 PHE 5 10.072 -5.269 -2.933 26 HD2 PHE 5 HD1 PHE 5 14.131 -5.708 -4.295 27 HE1 PHE 5 HE2 PHE 5 9.414 -7.248 -4.287 28 HE2 PHE 5 HE1 PHE 5 13.460 -7.645 -5.686 29 HZ PHE 5 HZ PHE 5 11.102 -8.440 -5.660 30 H GLN 6 HN GLN 6 14.184 -4.821 -0.319 31 HA GLN 6 HA GLN 6 13.467 -7.466 0.427 32 HB2 GLN 6 HB2 GLN 6 15.792 -6.698 0.017 33 HB3 GLN 6 HB3 GLN 6 15.717 -5.738 1.507 34 HG2 GLN 6 HG2 GLN 6 16.926 -7.837 1.844 35 HG3 GLN 6 HG3 GLN 6 15.502 -7.756 2.870 36 HE21 GLN 6 HE21 GLN 6 13.800 -9.241 2.516 37 HE22 GLN 6 HE22 GLN 6 13.942 -10.655 1.506 38 H THR 7 HN THR 7 13.321 -4.411 2.338 39 HA THR 7 HA THR 7 12.911 -5.739 4.856 40 HB THR 7 HB THR 7 11.956 -2.950 4.061 41 HG1 THR 7 HG1 THR 7 14.574 -3.746 4.832 42 HG21 THR 7 HG21 THR 7 12.503 -2.389 6.393 43 HG22 THR 7 HG22 THR 7 13.054 -4.053 6.692 44 HG23 THR 7 HG23 THR 7 11.344 -3.727 6.335 45 H LEU 8 HN LEU 8 10.723 -4.310 2.378 46 HA LEU 8 HA LEU 8 8.258 -4.940 3.639 47 HB2 LEU 8 HB2 LEU 8 9.130 -4.458 0.798 48 HB3 LEU 8 HB3 LEU 8 7.551 -5.129 1.089 49 HG LEU 8 HG LEU 8 6.827 -3.215 2.355 50 HD11 LEU 8 HD11 LEU 8 8.926 -2.536 3.494 51 HD12 LEU 8 HD12 LEU 8 8.170 -1.185 2.644 52 HD13 LEU 8 HD13 LEU 8 9.579 -1.985 1.936 53 HD21 LEU 8 HD21 LEU 8 6.618 -3.127 -0.076 54 HD22 LEU 8 HD22 LEU 8 8.262 -2.469 -0.235 55 HD23 LEU 8 HD23 LEU 8 7.013 -1.501 0.529 56 H LEU 9 HN LEU 9 10.283 -6.863 1.385 57 HA LEU 9 HA LEU 9 8.576 -9.103 1.097 58 HB2 LEU 9 HB2 LEU 9 11.579 -8.711 1.004 59 HB3 LEU 9 HB3 LEU 9 10.919 -10.324 0.890 60 HG LEU 9 HG LEU 9 9.972 -8.127 -0.980 61 HD11 LEU 9 HD11 LEU 9 11.597 -9.078 -2.639 62 HD12 LEU 9 HD12 LEU 9 12.346 -10.009 -1.324 63 HD13 LEU 9 HD13 LEU 9 12.369 -8.232 -1.300 64 HD21 LEU 9 HD21 LEU 9 9.989 -11.177 -1.130 65 HD22 LEU 9 HD22 LEU 9 9.481 -10.096 -2.434 66 HD23 LEU 9 HD23 LEU 9 8.561 -10.137 -0.912 67 H ASP 10 HN ASP 10 10.560 -8.122 3.851 68 HA ASP 10 HA ASP 10 10.053 -10.746 5.161 69 HB2 ASP 10 HB2 ASP 10 12.356 -9.344 5.021 70 HB3 ASP 10 HB3 ASP 10 11.709 -8.687 6.517 71 H ALA 11 HN ALA 11 8.462 -7.863 4.916 72 HA ALA 11 HA ALA 11 7.953 -7.329 7.738 73 HB1 ALA 11 HB1 ALA 11 6.923 -5.330 6.889 74 HB2 ALA 11 HB2 ALA 11 8.383 -5.581 5.969 75 HB3 ALA 11 HB3 ALA 11 6.812 -6.009 5.245 76 H GLY 12 HN GLY 12 6.730 -9.747 6.011 77 HA2 GLY 12 HA1 GLY 12 4.835 -10.978 6.709 78 HA3 GLY 12 HA2 GLY 12 3.977 -9.526 7.064 79 H LEU 13 HN LEU 13 5.664 -9.171 4.088 80 HA LEU 13 HA LEU 13 2.996 -9.289 2.762 81 HB2 LEU 13 HB2 LEU 13 5.440 -7.643 2.099 82 HB3 LEU 13 HB3 LEU 13 3.829 -7.475 1.417 83 HG LEU 13 HG LEU 13 4.357 -6.996 4.376 84 HD11 LEU 13 HD11 LEU 13 4.590 -4.666 3.995 85 HD12 LEU 13 HD12 LEU 13 4.246 -4.814 2.274 86 HD13 LEU 13 HD13 LEU 13 5.770 -5.453 2.945 87 HD21 LEU 13 HD21 LEU 13 2.005 -7.396 3.726 88 HD22 LEU 13 HD22 LEU 13 2.136 -6.158 2.464 89 HD23 LEU 13 HD23 LEU 13 2.244 -5.699 4.183 90 HA PRO 14 HA PRO 14 4.759 -11.932 -0.398 91 HB2 PRO 14 HB2 PRO 14 3.057 -11.557 -2.486 92 HB3 PRO 14 HB3 PRO 14 2.540 -12.321 -0.952 93 HG2 PRO 14 HG2 PRO 14 2.227 -9.467 -1.824 94 HG3 PRO 14 HG3 PRO 14 0.959 -10.518 -1.118 95 HD2 PRO 14 HD2 PRO 14 2.373 -8.711 0.364 96 HD3 PRO 14 HD3 PRO 14 1.801 -10.260 1.039 97 H GLN 15 HN GLN 15 5.542 -11.845 -2.751 98 HA GLN 15 HA GLN 15 7.438 -9.655 -3.051 99 HB2 GLN 15 HB2 GLN 15 8.134 -11.867 -3.663 100 HB3 GLN 15 HB3 GLN 15 6.743 -12.118 -4.715 101 HG2 GLN 15 HG2 GLN 15 7.512 -10.512 -6.325 102 HG3 GLN 15 HG3 GLN 15 8.749 -9.892 -5.226 103 HE21 GLN 15 HE21 GLN 15 9.618 -10.493 -7.699 104 HE22 GLN 15 HE22 GLN 15 10.473 -12.045 -7.706 105 H LYS 16 HN LYS 16 4.544 -10.819 -4.808 106 HA LYS 16 HA LYS 16 4.770 -8.967 -6.774 107 HB2 LYS 16 HB2 LYS 16 2.657 -10.732 -5.813 108 HB3 LYS 16 HB3 LYS 16 1.907 -9.266 -6.324 109 HG2 LYS 16 HG2 LYS 16 3.840 -10.112 -8.344 110 HG3 LYS 16 HG3 LYS 16 2.788 -11.443 -7.886 111 HD2 LYS 16 HD2 LYS 16 1.810 -10.463 -9.728 112 HD3 LYS 16 HD3 LYS 16 0.791 -9.973 -8.372 113 HE2 LYS 16 HE2 LYS 16 1.713 -7.722 -8.424 114 HE3 LYS 16 HE3 LYS 16 3.005 -8.214 -9.516 115 HZ1 LYS 16 HZ1 LYS 16 1.150 -7.015 -10.649 116 HZ2 LYS 16 HZ2 LYS 16 0.153 -8.263 -10.320 117 HZ3 LYS 16 HZ3 LYS 16 1.461 -8.501 -11.272 118 H VAL 17 HN VAL 17 3.171 -8.451 -3.660 119 HA VAL 17 HA VAL 17 2.259 -5.761 -4.162 120 HB VAL 17 HB VAL 17 2.849 -7.337 -1.628 121 HG11 VAL 17 HG11 VAL 17 1.699 -5.768 -0.283 122 HG12 VAL 17 HG12 VAL 17 2.905 -4.832 -1.172 123 HG13 VAL 17 HG13 VAL 17 1.193 -4.795 -1.665 124 HG21 VAL 17 HG21 VAL 17 0.919 -8.156 -3.070 125 HG22 VAL 17 HG22 VAL 17 0.405 -7.573 -1.485 126 HG23 VAL 17 HG23 VAL 17 0.194 -6.553 -2.923 127 H ALA 18 HN ALA 18 5.129 -7.154 -2.443 128 HA ALA 18 HA ALA 18 6.387 -4.840 -1.739 129 HB1 ALA 18 HB1 ALA 18 7.810 -7.360 -2.683 130 HB2 ALA 18 HB2 ALA 18 8.455 -6.108 -1.606 131 HB3 ALA 18 HB3 ALA 18 7.120 -7.133 -1.067 132 H GLU 19 HN GLU 19 6.918 -6.490 -4.885 133 HA GLU 19 HA GLU 19 8.845 -4.716 -5.891 134 HB2 GLU 19 HB2 GLU 19 6.589 -6.106 -7.423 135 HB3 GLU 19 HB3 GLU 19 8.006 -5.314 -8.135 136 HG2 GLU 19 HG2 GLU 19 9.432 -6.986 -6.828 137 HG3 GLU 19 HG3 GLU 19 7.948 -7.840 -6.455 138 H LYS 20 HN LYS 20 5.288 -4.405 -5.950 139 HA LYS 20 HA LYS 20 5.372 -2.049 -7.714 140 HB2 LYS 20 HB2 LYS 20 3.232 -3.785 -6.492 141 HB3 LYS 20 HB3 LYS 20 2.827 -2.135 -6.962 142 HG2 LYS 20 HG2 LYS 20 2.251 -3.504 -8.769 143 HG3 LYS 20 HG3 LYS 20 3.619 -2.542 -9.252 144 HD2 LYS 20 HD2 LYS 20 4.080 -5.379 -8.298 145 HD3 LYS 20 HD3 LYS 20 3.429 -5.080 -9.914 146 HE2 LYS 20 HE2 LYS 20 5.341 -3.530 -10.380 147 HE3 LYS 20 HE3 LYS 20 6.058 -3.972 -8.843 148 HZ1 LYS 20 HZ1 LYS 20 7.008 -5.136 -10.714 149 HZ2 LYS 20 HZ2 LYS 20 5.591 -5.879 -11.079 150 HZ3 LYS 20 HZ3 LYS 20 6.418 -6.226 -9.683 151 H LEU 21 HN LEU 21 4.906 -2.705 -4.260 152 HA LEU 21 HA LEU 21 4.150 -0.014 -3.492 153 HB2 LEU 21 HB2 LEU 21 3.634 -2.243 -2.318 154 HB3 LEU 21 HB3 LEU 21 5.336 -2.310 -1.857 155 HG LEU 21 HG LEU 21 5.149 -0.485 -0.407 156 HD11 LEU 21 HD11 LEU 21 3.840 1.171 -1.382 157 HD12 LEU 21 HD12 LEU 21 2.814 0.633 -0.045 158 HD13 LEU 21 HD13 LEU 21 2.478 0.071 -1.684 159 HD21 LEU 21 HD21 LEU 21 3.516 -1.310 1.214 160 HD22 LEU 21 HD22 LEU 21 4.272 -2.674 0.389 161 HD23 LEU 21 HD23 LEU 21 2.636 -2.171 -0.070 162 H ASP 22 HN ASP 22 7.225 -1.839 -3.584 163 HA ASP 22 HA ASP 22 8.825 -0.113 -2.126 164 HB2 ASP 22 HB2 ASP 22 9.702 -2.230 -2.650 165 HB3 ASP 22 HB3 ASP 22 9.248 -2.103 -4.348 166 H GLU 23 HN GLU 23 8.036 -0.023 -5.557 167 HA GLU 23 HA GLU 23 9.714 2.133 -6.332 168 HB2 GLU 23 HB2 GLU 23 7.311 0.653 -7.373 169 HB3 GLU 23 HB3 GLU 23 7.648 2.199 -8.131 170 HG2 GLU 23 HG2 GLU 23 9.774 0.025 -7.819 171 HG3 GLU 23 HG3 GLU 23 8.718 0.164 -9.226 172 H ILE 24 HN ILE 24 6.716 2.215 -4.520 173 HA ILE 24 HA ILE 24 5.975 4.931 -5.284 174 HB ILE 24 HB ILE 24 5.097 3.389 -2.820 175 HG12 ILE 24 HG12 ILE 24 4.022 3.201 -5.660 176 HG13 ILE 24 HG13 ILE 24 4.698 1.903 -4.711 177 HG21 ILE 24 HG21 ILE 24 4.495 5.889 -3.131 178 HG22 ILE 24 HG22 ILE 24 3.385 5.341 -4.378 179 HG23 ILE 24 HG23 ILE 24 3.208 4.757 -2.717 180 HD11 ILE 24 HD11 ILE 24 2.770 2.029 -3.140 181 HD12 ILE 24 HD12 ILE 24 2.022 3.230 -4.200 182 HD13 ILE 24 HD13 ILE 24 2.331 1.602 -4.807 183 H TYR 25 HN TYR 25 8.247 3.373 -3.152 184 HA TYR 25 HA TYR 25 8.762 5.806 -1.564 185 HB2 TYR 25 HB2 TYR 25 9.791 3.002 -1.220 186 HB3 TYR 25 HB3 TYR 25 9.895 4.298 -0.039 187 HD1 TYR 25 HD2 TYR 25 7.162 5.364 -0.086 188 HD2 TYR 25 HD1 TYR 25 8.510 1.275 -0.162 189 HE1 TYR 25 HE2 TYR 25 5.044 4.666 0.961 190 HE2 TYR 25 HE1 TYR 25 6.415 0.554 0.868 191 HH TYR 25 HH TYR 25 4.179 1.248 1.297 192 H VAL 26 HN VAL 26 9.622 5.291 -4.450 193 HA VAL 26 HA VAL 26 12.541 5.838 -4.040 194 HB VAL 26 HB VAL 26 11.089 4.677 -6.460 195 HG11 VAL 26 HG11 VAL 26 13.384 4.372 -7.396 196 HG12 VAL 26 HG12 VAL 26 12.959 6.079 -7.215 197 HG13 VAL 26 HG13 VAL 26 14.045 5.313 -6.043 198 HG21 VAL 26 HG21 VAL 26 12.436 2.660 -6.003 199 HG22 VAL 26 HG22 VAL 26 13.168 3.476 -4.600 200 HG23 VAL 26 HG23 VAL 26 11.448 3.045 -4.591 201 H ALA 27 HN ALA 27 9.525 6.902 -5.650 202 HA ALA 27 HA ALA 27 10.912 8.980 -7.131 203 HB1 ALA 27 HB1 ALA 27 8.645 9.496 -7.959 204 HB2 ALA 27 HB2 ALA 27 9.016 7.768 -8.079 205 HB3 ALA 27 HB3 ALA 27 7.947 8.342 -6.792 206 H GLY 28 HN GLY 28 10.354 8.910 -3.920 207 HA2 GLY 28 HA1 GLY 28 10.797 10.549 -2.458 208 HA3 GLY 28 HA2 GLY 28 10.379 11.803 -3.625 209 H LEU 29 HN LEU 29 7.913 9.726 -3.863 210 HA LEU 29 HA LEU 29 6.025 11.613 -3.011 211 HB2 LEU 29 HB2 LEU 29 5.506 8.613 -3.490 212 HB3 LEU 29 HB3 LEU 29 4.344 9.946 -3.603 213 HG LEU 29 HG LEU 29 6.781 9.524 -5.369 214 HD11 LEU 29 HD11 LEU 29 4.991 7.927 -5.752 215 HD12 LEU 29 HD12 LEU 29 5.213 9.052 -7.127 216 HD13 LEU 29 HD13 LEU 29 3.837 9.263 -6.013 217 HD21 LEU 29 HD21 LEU 29 4.657 11.686 -5.540 218 HD22 LEU 29 HD22 LEU 29 5.868 11.336 -6.794 219 HD23 LEU 29 HD23 LEU 29 6.389 11.930 -5.219 220 H VAL 30 HN VAL 30 6.472 8.346 -1.686 221 HA VAL 30 HA VAL 30 6.044 9.454 1.059 222 HB VAL 30 HB VAL 30 4.838 7.172 1.478 223 HG11 VAL 30 HG11 VAL 30 2.694 8.188 0.961 224 HG12 VAL 30 HG12 VAL 30 3.833 9.406 1.579 225 HG13 VAL 30 HG13 VAL 30 3.459 9.347 -0.153 226 HG21 VAL 30 HG21 VAL 30 4.094 7.458 -1.466 227 HG22 VAL 30 HG22 VAL 30 5.295 6.285 -0.906 228 HG23 VAL 30 HG23 VAL 30 3.627 6.194 -0.323 229 H ALA 31 HN ALA 31 6.624 7.474 2.688 230 HA ALA 31 HA ALA 31 9.161 6.226 1.773 231 HB1 ALA 31 HB1 ALA 31 8.551 7.476 4.487 232 HB2 ALA 31 HB2 ALA 31 9.984 6.514 4.093 233 HB3 ALA 31 HB3 ALA 31 9.738 8.068 3.299 234 H HIS 32 HN HIS 32 9.636 4.309 3.062 235 HA HIS 32 HA HIS 32 7.564 2.500 2.934 236 HB2 HIS 32 HB2 HIS 32 9.088 0.883 3.660 237 HB3 HIS 32 HB3 HIS 32 10.056 2.080 2.813 238 HD1 HIS 32 HD1 HIS 32 9.972 0.172 5.989 239 HD2 HIS 32 HD2 HIS 32 11.374 3.944 4.673 240 HE1 HIS 32 HE1 HIS 32 11.568 0.994 7.741 241 H SER 33 HN SER 33 7.985 4.688 5.512 242 HA SER 33 HA SER 33 6.167 3.111 7.232 243 HB2 SER 33 HB2 SER 33 8.730 3.135 7.838 244 HB3 SER 33 HB3 SER 33 8.374 4.756 8.456 245 HG SER 33 HG SER 33 8.083 3.253 10.051 246 H ASP 34 HN ASP 34 5.768 5.483 5.302 247 HA ASP 34 HA ASP 34 4.831 7.593 7.085 248 HB2 ASP 34 HB2 ASP 34 5.498 7.690 4.521 249 HB3 ASP 34 HB3 ASP 34 3.812 7.300 4.267 250 H LEU 35 HN LEU 35 3.896 5.038 7.932 251 HA LEU 35 HA LEU 35 1.030 4.849 7.146 252 HB2 LEU 35 HB2 LEU 35 3.030 2.580 7.384 253 HB3 LEU 35 HB3 LEU 35 1.297 2.388 7.153 254 HG LEU 35 HG LEU 35 3.261 3.620 5.181 255 HD11 LEU 35 HD11 LEU 35 3.183 1.154 5.277 256 HD12 LEU 35 HD12 LEU 35 2.522 1.758 3.750 257 HD13 LEU 35 HD13 LEU 35 1.423 1.187 5.022 258 HD21 LEU 35 HD21 LEU 35 1.246 4.953 4.948 259 HD22 LEU 35 HD22 LEU 35 0.214 3.526 5.083 260 HD23 LEU 35 HD23 LEU 35 1.249 3.789 3.658 261 H ASP 36 HN ASP 36 0.148 2.870 8.756 262 HA ASP 36 HA ASP 36 1.046 3.315 11.490 263 HB2 ASP 36 HB2 ASP 36 -1.827 3.739 10.575 264 HB3 ASP 36 HB3 ASP 36 -1.411 3.327 12.209 265 H GLU 37 HN GLU 37 0.145 1.604 12.800 266 HA GLU 37 HA GLU 37 0.588 -0.933 11.772 267 HB2 GLU 37 HB2 GLU 37 0.707 -0.181 14.136 268 HB3 GLU 37 HB3 GLU 37 -1.049 -0.230 14.243 269 HG2 GLU 37 HG2 GLU 37 -1.109 -2.615 14.007 270 HG3 GLU 37 HG3 GLU 37 0.608 -2.670 13.547 271 H ARG 38 HN ARG 38 -2.547 0.694 12.207 272 HA ARG 38 HA ARG 38 -4.261 -1.396 11.453 273 HB2 ARG 38 HB2 ARG 38 -5.845 0.367 10.654 274 HB3 ARG 38 HB3 ARG 38 -5.318 0.487 12.320 275 HG2 ARG 38 HG2 ARG 38 -3.752 2.250 11.781 276 HG3 ARG 38 HG3 ARG 38 -4.054 2.035 10.047 277 HD2 ARG 38 HD2 ARG 38 -6.384 2.709 10.349 278 HD3 ARG 38 HD3 ARG 38 -6.156 2.888 12.092 279 HE ARG 38 HE ARG 38 -4.451 4.666 11.529 280 HH11 ARG 38 HH11 ARG 38 -7.520 4.164 9.892 281 HH12 ARG 38 HH12 ARG 38 -7.660 5.761 9.253 282 HH21 ARG 38 HH21 ARG 38 -4.563 6.853 10.691 283 HH22 ARG 38 HH22 ARG 38 -6.100 7.359 10.089 284 H ALA 39 HN ALA 39 -2.258 0.576 9.370 285 HA ALA 39 HA ALA 39 -3.615 -0.319 6.913 286 HB1 ALA 39 HB1 ALA 39 -2.664 1.973 7.059 287 HB2 ALA 39 HB2 ALA 39 -1.038 1.283 7.305 288 HB3 ALA 39 HB3 ALA 39 -1.900 1.017 5.783 289 H ILE 40 HN ILE 40 -0.611 -0.950 8.786 290 HA ILE 40 HA ILE 40 0.567 -2.751 6.906 291 HB ILE 40 HB ILE 40 0.841 -2.575 9.950 292 HG12 ILE 40 HG12 ILE 40 1.504 -0.460 9.143 293 HG13 ILE 40 HG13 ILE 40 2.982 -1.346 9.394 294 HG21 ILE 40 HG21 ILE 40 1.687 -4.689 9.321 295 HG22 ILE 40 HG22 ILE 40 2.457 -4.029 7.872 296 HG23 ILE 40 HG23 ILE 40 3.104 -3.649 9.492 297 HD11 ILE 40 HD11 ILE 40 3.151 -0.097 7.343 298 HD12 ILE 40 HD12 ILE 40 3.046 -1.815 6.891 299 HD13 ILE 40 HD13 ILE 40 1.635 -0.743 6.727 300 H GLU 41 HN GLU 41 -1.639 -3.306 9.665 301 HA GLU 41 HA GLU 41 -1.740 -6.121 9.405 302 HB2 GLU 41 HB2 GLU 41 -2.417 -4.674 11.337 303 HB3 GLU 41 HB3 GLU 41 -3.881 -4.213 10.471 304 HG2 GLU 41 HG2 GLU 41 -4.829 -6.348 10.698 305 HG3 GLU 41 HG3 GLU 41 -3.255 -7.155 10.795 306 H ALA 42 HN ALA 42 -3.958 -3.567 8.135 307 HA ALA 42 HA ALA 42 -5.651 -5.352 6.744 308 HB1 ALA 42 HB1 ALA 42 -5.024 -2.422 6.275 309 HB2 ALA 42 HB2 ALA 42 -6.348 -3.300 5.478 310 HB3 ALA 42 HB3 ALA 42 -6.348 -3.106 7.245 311 H LEU 43 HN LEU 43 -2.521 -3.943 5.703 312 HA LEU 43 HA LEU 43 -2.679 -4.754 2.958 313 HB2 LEU 43 HB2 LEU 43 -0.439 -4.140 4.883 314 HB3 LEU 43 HB3 LEU 43 -0.031 -5.095 3.477 315 HG LEU 43 HG LEU 43 -1.292 -2.361 3.359 316 HD11 LEU 43 HD11 LEU 43 0.965 -2.265 4.261 317 HD12 LEU 43 HD12 LEU 43 0.915 -1.579 2.630 318 HD13 LEU 43 HD13 LEU 43 1.582 -3.209 2.883 319 HD21 LEU 43 HD21 LEU 43 -0.097 -4.052 1.114 320 HD22 LEU 43 HD22 LEU 43 -0.718 -2.390 0.957 321 HD23 LEU 43 HD23 LEU 43 -1.818 -3.709 1.323 322 H LYS 44 HN LYS 44 -1.607 -6.505 5.912 323 HA LYS 44 HA LYS 44 -0.833 -8.863 4.459 324 HB2 LYS 44 HB2 LYS 44 -1.154 -8.141 7.343 325 HB3 LYS 44 HB3 LYS 44 -1.545 -9.806 6.953 326 HG2 LYS 44 HG2 LYS 44 0.620 -10.283 7.059 327 HG3 LYS 44 HG3 LYS 44 0.758 -9.526 5.506 328 HD2 LYS 44 HD2 LYS 44 2.346 -8.334 6.454 329 HD3 LYS 44 HD3 LYS 44 1.068 -7.299 7.023 330 HE2 LYS 44 HE2 LYS 44 0.885 -8.560 9.141 331 HE3 LYS 44 HE3 LYS 44 2.085 -9.714 8.595 332 HZ1 LYS 44 HZ1 LYS 44 2.682 -6.865 9.120 333 HZ2 LYS 44 HZ2 LYS 44 3.787 -8.095 8.786 334 HZ3 LYS 44 HZ3 LYS 44 2.898 -8.095 10.147 335 H GLU 45 HN GLU 45 -3.894 -7.798 5.938 336 HA GLU 45 HA GLU 45 -5.334 -10.251 5.235 337 HB2 GLU 45 HB2 GLU 45 -6.350 -7.533 6.054 338 HB3 GLU 45 HB3 GLU 45 -7.286 -9.038 6.012 339 HG2 GLU 45 HG2 GLU 45 -5.979 -9.970 7.829 340 HG3 GLU 45 HG3 GLU 45 -5.000 -8.506 7.942 341 H PHE 46 HN PHE 46 -4.065 -9.347 2.882 342 HA PHE 46 HA PHE 46 -6.469 -9.257 1.292 343 HB2 PHE 46 HB2 PHE 46 -4.243 -7.249 0.894 344 HB3 PHE 46 HB3 PHE 46 -5.203 -7.831 -0.456 345 HD1 PHE 46 HD2 PHE 46 -7.881 -7.764 -0.025 346 HD2 PHE 46 HD1 PHE 46 -4.956 -5.242 1.872 347 HE1 PHE 46 HE2 PHE 46 -9.614 -6.004 0.307 348 HE2 PHE 46 HE1 PHE 46 -6.682 -3.483 2.189 349 HZ PHE 46 HZ PHE 46 -9.011 -3.847 1.381 350 H ASN 47 HN ASN 47 -6.188 -10.428 -0.589 351 HA ASN 47 HA ASN 47 -4.017 -12.326 -0.834 352 HB2 ASN 47 HB2 ASN 47 -5.093 -12.797 -3.076 353 HB3 ASN 47 HB3 ASN 47 -6.107 -13.046 -1.710 354 HD21 ASN 47 HD21 ASN 47 -6.390 -12.035 -4.834 355 HD22 ASN 47 HD22 ASN 47 -7.725 -10.930 -4.541 356 H GLU 48 HN GLU 48 -2.728 -12.480 -2.771 357 HA GLU 48 HA GLU 48 -1.042 -10.495 -3.300 358 HB2 GLU 48 HB2 GLU 48 -1.040 -13.032 -3.892 359 HB3 GLU 48 HB3 GLU 48 -1.855 -12.588 -5.384 360 HG2 GLU 48 HG2 GLU 48 0.015 -10.933 -5.798 361 HG3 GLU 48 HG3 GLU 48 0.792 -11.581 -4.336 362 H ASP 49 HN ASP 49 -3.421 -11.471 -5.827 363 HA ASP 49 HA ASP 49 -2.933 -9.093 -7.286 364 HB2 ASP 49 HB2 ASP 49 -4.064 -11.537 -7.865 365 HB3 ASP 49 HB3 ASP 49 -5.498 -10.499 -7.852 366 H GLY 50 HN GLY 50 -5.173 -9.769 -4.686 367 HA2 GLY 50 HA1 GLY 50 -7.085 -7.714 -5.232 368 HA3 GLY 50 HA2 GLY 50 -6.793 -8.502 -3.670 369 H ALA 51 HN ALA 51 -4.439 -7.933 -2.825 370 HA ALA 51 HA ALA 51 -4.191 -5.320 -1.937 371 HB1 ALA 51 HB1 ALA 51 -2.016 -7.375 -2.491 372 HB2 ALA 51 HB2 ALA 51 -1.849 -5.944 -1.453 373 HB3 ALA 51 HB3 ALA 51 -2.954 -7.244 -1.010 374 H LEU 52 HN LEU 52 -2.819 -6.754 -4.937 375 HA LEU 52 HA LEU 52 -1.149 -4.621 -5.741 376 HB2 LEU 52 HB2 LEU 52 -2.395 -7.021 -6.952 377 HB3 LEU 52 HB3 LEU 52 -2.256 -5.701 -8.081 378 HG LEU 52 HG LEU 52 -0.349 -7.123 -8.238 379 HD11 LEU 52 HD11 LEU 52 1.396 -5.523 -8.169 380 HD12 LEU 52 HD12 LEU 52 0.612 -4.562 -6.912 381 HD13 LEU 52 HD13 LEU 52 -0.087 -4.622 -8.544 382 HD21 LEU 52 HD21 LEU 52 -0.156 -8.100 -6.071 383 HD22 LEU 52 HD22 LEU 52 0.096 -6.524 -5.292 384 HD23 LEU 52 HD23 LEU 52 1.321 -7.168 -6.375 385 H ALA 53 HN ALA 53 -4.634 -5.166 -6.512 386 HA ALA 53 HA ALA 53 -4.929 -2.909 -8.172 387 HB1 ALA 53 HB1 ALA 53 -6.614 -4.756 -7.835 388 HB2 ALA 53 HB2 ALA 53 -6.992 -4.083 -6.242 389 HB3 ALA 53 HB3 ALA 53 -7.327 -3.137 -7.709 390 H VAL 54 HN VAL 54 -5.299 -3.251 -4.639 391 HA VAL 54 HA VAL 54 -5.984 -0.586 -4.062 392 HB VAL 54 HB VAL 54 -4.250 -2.229 -2.211 393 HG11 VAL 54 HG11 VAL 54 -6.757 -0.666 -1.565 394 HG12 VAL 54 HG12 VAL 54 -5.457 -1.199 -0.473 395 HG13 VAL 54 HG13 VAL 54 -5.153 0.073 -1.681 396 HG21 VAL 54 HG21 VAL 54 -6.409 -3.297 -1.321 397 HG22 VAL 54 HG22 VAL 54 -7.154 -2.855 -2.872 398 HG23 VAL 54 HG23 VAL 54 -5.771 -3.949 -2.824 399 H LEU 55 HN LEU 55 -2.811 -2.014 -4.722 400 HA LEU 55 HA LEU 55 -1.256 0.253 -3.740 401 HB2 LEU 55 HB2 LEU 55 -0.442 -1.872 -5.789 402 HB3 LEU 55 HB3 LEU 55 0.589 -0.675 -5.059 403 HG LEU 55 HG LEU 55 -0.596 -3.144 -3.785 404 HD11 LEU 55 HD11 LEU 55 2.192 -1.998 -4.146 405 HD12 LEU 55 HD12 LEU 55 1.469 -3.370 -5.007 406 HD13 LEU 55 HD13 LEU 55 1.826 -3.495 -3.288 407 HD21 LEU 55 HD21 LEU 55 -1.007 -1.505 -2.080 408 HD22 LEU 55 HD22 LEU 55 0.566 -0.735 -2.343 409 HD23 LEU 55 HD23 LEU 55 0.468 -2.364 -1.625 410 H GLN 56 HN GLN 56 -2.455 -0.856 -6.919 411 HA GLN 56 HA GLN 56 -1.361 1.249 -8.488 412 HB2 GLN 56 HB2 GLN 56 -2.376 -0.828 -9.419 413 HB3 GLN 56 HB3 GLN 56 -3.947 -0.308 -8.819 414 HG2 GLN 56 HG2 GLN 56 -3.539 1.846 -10.285 415 HG3 GLN 56 HG3 GLN 56 -2.324 0.850 -11.091 416 HE21 GLN 56 HE21 GLN 56 -3.099 -0.791 -12.545 417 HE22 GLN 56 HE22 GLN 56 -4.789 -1.149 -12.745 418 H GLN 57 HN GLN 57 -4.538 0.969 -6.754 419 HA GLN 57 HA GLN 57 -5.445 3.507 -7.662 420 HB2 GLN 57 HB2 GLN 57 -6.701 1.543 -6.711 421 HB3 GLN 57 HB3 GLN 57 -6.308 2.111 -5.100 422 HG2 GLN 57 HG2 GLN 57 -7.634 4.055 -5.331 423 HG3 GLN 57 HG3 GLN 57 -7.581 4.011 -7.096 424 HE21 GLN 57 HE21 GLN 57 -9.195 2.699 -4.234 425 HE22 GLN 57 HE22 GLN 57 -10.442 1.815 -5.102 426 H PHE 58 HN PHE 58 -3.478 2.616 -4.934 427 HA PHE 58 HA PHE 58 -3.463 5.265 -3.708 428 HB2 PHE 58 HB2 PHE 58 -3.045 3.207 -2.432 429 HB3 PHE 58 HB3 PHE 58 -1.573 2.913 -3.344 430 HD1 PHE 58 HD2 PHE 58 -3.215 5.449 -1.091 431 HD2 PHE 58 HD1 PHE 58 0.490 3.815 -2.571 432 HE1 PHE 58 HE2 PHE 58 -1.960 6.783 0.577 433 HE2 PHE 58 HE1 PHE 58 1.732 5.130 -0.881 434 HZ PHE 58 HZ PHE 58 0.523 6.613 0.692 435 H LYS 59 HN LYS 59 -1.353 3.633 -6.093 436 HA LYS 59 HA LYS 59 0.608 5.765 -6.283 437 HB2 LYS 59 HB2 LYS 59 -0.193 3.371 -7.884 438 HB3 LYS 59 HB3 LYS 59 0.516 4.673 -8.823 439 HG2 LYS 59 HG2 LYS 59 1.897 3.743 -6.314 440 HG3 LYS 59 HG3 LYS 59 1.964 2.737 -7.757 441 HD2 LYS 59 HD2 LYS 59 3.915 3.970 -7.939 442 HD3 LYS 59 HD3 LYS 59 2.799 4.799 -9.013 443 HE2 LYS 59 HE2 LYS 59 2.373 6.410 -6.987 444 HE3 LYS 59 HE3 LYS 59 3.847 5.723 -6.281 445 HZ1 LYS 59 HZ1 LYS 59 3.563 7.048 -8.902 446 HZ2 LYS 59 HZ2 LYS 59 4.978 6.349 -8.373 447 HZ3 LYS 59 HZ3 LYS 59 4.300 7.646 -7.601 448 H ASP 60 HN ASP 60 -2.533 5.138 -7.699 449 HA ASP 60 HA ASP 60 -2.515 7.361 -9.531 450 HB2 ASP 60 HB2 ASP 60 -3.467 5.087 -9.981 451 HB3 ASP 60 HB3 ASP 60 -4.683 5.373 -8.726 452 H SER 61 HN SER 61 -2.002 8.545 -7.212 453 HA SER 61 HA SER 61 -4.295 10.295 -6.965 454 HB2 SER 61 HB2 SER 61 -3.137 9.518 -4.323 455 HB3 SER 61 HB3 SER 61 -4.734 10.155 -4.728 456 HG SER 61 HG SER 61 -4.848 7.929 -5.853 457 H ASP 62 HN ASP 62 -3.678 12.129 -5.422 458 HA ASP 62 HA ASP 62 -1.060 13.109 -6.402 459 HB2 ASP 62 HB2 ASP 62 -3.830 14.296 -6.118 460 HB3 ASP 62 HB3 ASP 62 -2.420 15.338 -5.989 461 H LEU 63 HN LEU 63 -0.121 12.092 -4.532 462 HA LEU 63 HA LEU 63 -0.862 12.869 -1.847 463 HB2 LEU 63 HB2 LEU 63 1.556 11.398 -2.949 464 HB3 LEU 63 HB3 LEU 63 1.180 11.550 -1.231 465 HG LEU 63 HG LEU 63 -0.631 10.158 -3.257 466 HD11 LEU 63 HD11 LEU 63 1.205 8.987 -1.132 467 HD12 LEU 63 HD12 LEU 63 1.561 9.048 -2.874 468 HD13 LEU 63 HD13 LEU 63 0.176 8.100 -2.288 469 HD21 LEU 63 HD21 LEU 63 -1.960 10.969 -1.396 470 HD22 LEU 63 HD22 LEU 63 -0.759 10.399 -0.206 471 HD23 LEU 63 HD23 LEU 63 -1.708 9.248 -1.167 472 H SER 64 HN SER 64 -0.549 15.143 -3.102 473 HA SER 64 HA SER 64 2.097 16.308 -2.358 474 HB2 SER 64 HB2 SER 64 1.352 16.330 -4.748 475 HB3 SER 64 HB3 SER 64 0.024 17.408 -4.284 476 HG SER 64 HG SER 64 2.804 17.889 -3.866 477 H HIS 65 HN HIS 65 -1.362 16.523 -1.596 478 HA HIS 65 HA HIS 65 -0.692 18.601 0.442 479 HB2 HIS 65 HB2 HIS 65 -3.342 18.415 -1.023 480 HB3 HIS 65 HB3 HIS 65 -2.801 19.678 0.081 481 HD1 HIS 65 HD1 HIS 65 -3.218 19.178 -3.489 482 HD2 HIS 65 HD2 HIS 65 -0.283 20.896 -0.985 483 HE1 HIS 65 HE1 HIS 65 -1.837 20.733 -4.949 484 H VAL 66 HN VAL 66 -0.922 15.547 0.470 485 HA VAL 66 HA VAL 66 -3.302 15.112 2.183 486 HB VAL 66 HB VAL 66 -1.349 13.201 0.835 487 HG11 VAL 66 HG11 VAL 66 -2.864 11.408 1.634 488 HG12 VAL 66 HG12 VAL 66 -2.099 12.259 2.981 489 HG13 VAL 66 HG13 VAL 66 -3.792 12.604 2.573 490 HG21 VAL 66 HG21 VAL 66 -4.297 13.849 0.325 491 HG22 VAL 66 HG22 VAL 66 -2.932 14.200 -0.759 492 HG23 VAL 66 HG23 VAL 66 -3.393 12.525 -0.447 493 H GLN 67 HN GLN 67 -2.798 15.915 4.161 494 HA GLN 67 HA GLN 67 -0.284 15.853 5.410 495 HB2 GLN 67 HB2 GLN 67 -1.443 16.168 7.532 496 HB3 GLN 67 HB3 GLN 67 -2.078 17.237 6.288 497 HG2 GLN 67 HG2 GLN 67 -3.438 14.685 7.303 498 HG3 GLN 67 HG3 GLN 67 -3.817 16.327 7.801 499 HE21 GLN 67 HE21 GLN 67 -4.881 13.896 5.636 500 HE22 GLN 67 HE22 GLN 67 -5.557 14.970 4.429 501 H ASN 68 HN ASN 68 -2.692 13.245 5.212 502 HA ASN 68 HA ASN 68 -0.965 11.550 6.929 503 HB2 ASN 68 HB2 ASN 68 -2.727 10.505 7.932 504 HB3 ASN 68 HB3 ASN 68 -2.468 12.196 8.363 505 HD21 ASN 68 HD21 ASN 68 -4.632 11.528 9.235 506 HD22 ASN 68 HD22 ASN 68 -5.953 11.911 8.106 507 H LYS 69 HN LYS 69 -0.040 10.895 4.932 508 HA LYS 69 HA LYS 69 -1.207 9.610 2.746 509 HB2 LYS 69 HB2 LYS 69 1.274 8.513 4.132 510 HB3 LYS 69 HB3 LYS 69 0.915 8.567 2.418 511 HG2 LYS 69 HG2 LYS 69 1.577 11.003 4.172 512 HG3 LYS 69 HG3 LYS 69 2.709 10.056 3.254 513 HD2 LYS 69 HD2 LYS 69 1.331 10.638 1.167 514 HD3 LYS 69 HD3 LYS 69 0.584 11.908 2.179 515 HE2 LYS 69 HE2 LYS 69 2.886 12.658 2.845 516 HE3 LYS 69 HE3 LYS 69 3.600 11.474 1.759 517 HZ1 LYS 69 HZ1 LYS 69 1.953 13.793 0.971 518 HZ2 LYS 69 HZ2 LYS 69 2.624 12.734 -0.110 519 HZ3 LYS 69 HZ3 LYS 69 3.556 13.667 0.862 520 H SER 70 HN SER 70 -0.486 8.389 5.924 521 HA SER 70 HA SER 70 -0.995 5.642 5.765 522 HB2 SER 70 HB2 SER 70 -1.439 6.009 8.256 523 HB3 SER 70 HB3 SER 70 0.126 6.570 7.624 524 HG SER 70 HG SER 70 -0.618 8.217 8.829 525 H ALA 71 HN ALA 71 -3.170 8.204 7.006 526 HA ALA 71 HA ALA 71 -5.409 6.452 7.195 527 HB1 ALA 71 HB1 ALA 71 -5.580 9.464 6.916 528 HB2 ALA 71 HB2 ALA 71 -6.698 8.386 7.769 529 HB3 ALA 71 HB3 ALA 71 -5.077 8.677 8.432 530 H PHE 72 HN PHE 72 -4.192 8.433 4.559 531 HA PHE 72 HA PHE 72 -6.501 8.275 2.850 532 HB2 PHE 72 HB2 PHE 72 -4.403 9.775 2.712 533 HB3 PHE 72 HB3 PHE 72 -3.609 8.414 1.937 534 HD1 PHE 72 HD2 PHE 72 -4.709 7.451 -0.242 535 HD2 PHE 72 HD1 PHE 72 -5.660 11.310 1.454 536 HE1 PHE 72 HE2 PHE 72 -5.548 8.214 -2.426 537 HE2 PHE 72 HE1 PHE 72 -6.437 12.086 -0.756 538 HZ PHE 72 HZ PHE 72 -6.397 10.509 -2.722 539 H LEU 73 HN LEU 73 -3.517 6.303 3.133 540 HA LEU 73 HA LEU 73 -4.133 4.311 1.227 541 HB2 LEU 73 HB2 LEU 73 -1.889 4.732 2.376 542 HB3 LEU 73 HB3 LEU 73 -2.538 3.975 3.822 543 HG LEU 73 HG LEU 73 -3.034 1.915 2.348 544 HD11 LEU 73 HD11 LEU 73 -1.646 1.627 0.339 545 HD12 LEU 73 HD12 LEU 73 -0.989 3.266 0.540 546 HD13 LEU 73 HD13 LEU 73 -2.694 3.040 0.137 547 HD21 LEU 73 HD21 LEU 73 -1.097 2.099 3.969 548 HD22 LEU 73 HD22 LEU 73 -0.087 2.556 2.565 549 HD23 LEU 73 HD23 LEU 73 -0.864 0.968 2.626 550 H CYS 74 HN CYS 74 -4.707 4.423 4.714 551 HA CYS 74 HA CYS 74 -6.029 1.940 4.982 552 HB2 CYS 74 HB2 CYS 74 -5.300 4.056 6.679 553 HB3 CYS 74 HB3 CYS 74 -7.056 4.026 6.814 554 HG CYS 74 HG CYS 74 -7.266 1.516 7.480 555 H GLY 75 HN GLY 75 -7.240 4.981 3.704 556 HA2 GLY 75 HA1 GLY 75 -10.089 4.430 3.950 557 HA3 GLY 75 HA2 GLY 75 -9.300 5.699 2.992 558 H VAL 76 HN VAL 76 -7.731 4.553 1.221 559 HA VAL 76 HA VAL 76 -9.321 3.433 -0.757 560 HB VAL 76 HB VAL 76 -6.327 3.188 -0.336 561 HG11 VAL 76 HG11 VAL 76 -7.172 1.520 -2.017 562 HG12 VAL 76 HG12 VAL 76 -7.913 2.858 -2.915 563 HG13 VAL 76 HG13 VAL 76 -6.144 2.760 -2.736 564 HG21 VAL 76 HG21 VAL 76 -6.195 5.071 -1.949 565 HG22 VAL 76 HG22 VAL 76 -7.965 5.163 -1.954 566 HG23 VAL 76 HG23 VAL 76 -7.055 5.534 -0.480 567 H MET 77 HN MET 77 -7.211 1.620 1.584 568 HA MET 77 HA MET 77 -7.787 -1.010 0.786 569 HB2 MET 77 HB2 MET 77 -7.596 0.136 3.600 570 HB3 MET 77 HB3 MET 77 -7.670 -1.600 3.251 571 HG2 MET 77 HG2 MET 77 -5.552 -1.614 2.237 572 HG3 MET 77 HG3 MET 77 -5.545 0.128 2.019 573 HE1 MET 77 HE1 MET 77 -3.316 -1.822 3.354 574 HE2 MET 77 HE2 MET 77 -3.121 -0.131 2.843 575 HE3 MET 77 HE3 MET 77 -2.635 -0.607 4.471 576 H LYS 78 HN LYS 78 -9.713 1.053 3.043 577 HA LYS 78 HA LYS 78 -11.509 -1.016 3.700 578 HB2 LYS 78 HB2 LYS 78 -11.014 0.970 5.052 579 HB3 LYS 78 HB3 LYS 78 -11.836 2.015 3.901 580 HG2 LYS 78 HG2 LYS 78 -13.362 -0.369 4.969 581 HG3 LYS 78 HG3 LYS 78 -12.956 0.899 6.104 582 HD2 LYS 78 HD2 LYS 78 -14.044 2.097 3.655 583 HD3 LYS 78 HD3 LYS 78 -15.133 0.848 4.244 584 HE2 LYS 78 HE2 LYS 78 -13.972 3.084 5.973 585 HE3 LYS 78 HE3 LYS 78 -15.561 3.139 5.194 586 HZ1 LYS 78 HZ1 LYS 78 -15.722 2.420 7.457 587 HZ2 LYS 78 HZ2 LYS 78 -14.731 1.136 7.213 588 HZ3 LYS 78 HZ3 LYS 78 -16.181 1.175 6.449 589 H THR 79 HN THR 79 -11.705 1.477 1.065 590 HA THR 79 HA THR 79 -14.387 0.656 0.455 591 HB THR 79 HB THR 79 -13.389 2.857 -0.123 592 HG1 THR 79 HG1 THR 79 -14.668 1.485 -2.228 593 HG21 THR 79 HG21 THR 79 -12.441 3.120 -2.418 594 HG22 THR 79 HG22 THR 79 -12.151 1.372 -2.470 595 HG23 THR 79 HG23 THR 79 -11.348 2.395 -1.256 596 H TYR 80 HN TYR 80 -11.234 -0.771 -0.472 597 HA TYR 80 HA TYR 80 -12.470 -2.589 -2.390 598 HB2 TYR 80 HB2 TYR 80 -9.802 -2.602 -0.961 599 HB3 TYR 80 HB3 TYR 80 -10.366 -3.971 -1.907 600 HD1 TYR 80 HD2 TYR 80 -10.641 -3.797 -4.407 601 HD2 TYR 80 HD1 TYR 80 -9.026 -0.600 -2.019 602 HE1 TYR 80 HE2 TYR 80 -9.653 -2.795 -6.426 603 HE2 TYR 80 HE1 TYR 80 -8.013 0.402 -4.034 604 HH TYR 80 HH TYR 80 -8.233 -0.968 -7.301 605 H ARG 81 HN ARG 81 -11.597 -2.787 1.112 606 HA ARG 81 HA ARG 81 -12.664 -5.462 1.360 607 HB2 ARG 81 HB2 ARG 81 -10.833 -4.141 2.787 608 HB3 ARG 81 HB3 ARG 81 -12.202 -3.733 3.808 609 HG2 ARG 81 HG2 ARG 81 -11.981 -6.616 3.004 610 HG3 ARG 81 HG3 ARG 81 -10.627 -6.038 3.933 611 HD2 ARG 81 HD2 ARG 81 -13.430 -5.560 4.994 612 HD3 ARG 81 HD3 ARG 81 -12.714 -7.165 5.047 613 HE ARG 81 HE ARG 81 -10.988 -5.050 6.095 614 HH11 ARG 81 HH11 ARG 81 -13.080 -7.864 6.818 615 HH12 ARG 81 HH12 ARG 81 -12.620 -7.952 8.466 616 HH21 ARG 81 HH21 ARG 81 -10.352 -5.244 8.322 617 HH22 ARG 81 HH22 ARG 81 -10.842 -6.646 9.193 618 H GLN 82 HN GLN 82 -14.468 -3.428 0.339 619 HA GLN 82 HA GLN 82 -16.847 -4.119 1.972 620 HB2 GLN 82 HB2 GLN 82 -15.784 -1.426 1.488 621 HB3 GLN 82 HB3 GLN 82 -17.367 -1.539 0.800 622 HG2 GLN 82 HG2 GLN 82 -16.728 -2.414 3.641 623 HG3 GLN 82 HG3 GLN 82 -17.218 -0.774 3.204 624 HE21 GLN 82 HE21 GLN 82 -18.995 -2.940 1.175 625 HE22 GLN 82 HE22 GLN 82 -20.451 -2.913 2.114 626 H ARG 83 HN ARG 83 -15.433 -4.980 -0.723 627 HA ARG 83 HA ARG 83 -17.895 -4.821 -2.405 628 HB2 ARG 83 HB2 ARG 83 -15.050 -4.159 -3.274 629 HB3 ARG 83 HB3 ARG 83 -16.428 -4.401 -4.361 630 HG2 ARG 83 HG2 ARG 83 -17.666 -2.585 -3.156 631 HG3 ARG 83 HG3 ARG 83 -16.229 -2.280 -2.190 632 HD2 ARG 83 HD2 ARG 83 -16.218 -0.694 -3.943 633 HD3 ARG 83 HD3 ARG 83 -14.942 -1.857 -4.323 634 HE ARG 83 HE ARG 83 -16.078 -2.514 -6.202 635 HH11 ARG 83 HH11 ARG 83 -18.252 -0.386 -4.335 636 HH12 ARG 83 HH12 ARG 83 -19.461 -0.348 -5.562 637 HH21 ARG 83 HH21 ARG 83 -17.813 -2.718 -7.641 638 HH22 ARG 83 HH22 ARG 83 -19.245 -1.778 -7.470 639 H GLU 84 HN GLU 84 -17.293 -7.015 -0.807 640 HA GLU 84 HA GLU 84 -15.963 -8.991 -2.551 641 HB2 GLU 84 HB2 GLU 84 -17.174 -9.185 0.228 642 HB3 GLU 84 HB3 GLU 84 -16.516 -10.551 -0.685 643 HG2 GLU 84 HG2 GLU 84 -14.327 -9.312 -0.860 644 HG3 GLU 84 HG3 GLU 84 -14.991 -8.064 0.204 645 H LYS 85 HN LYS 85 -17.044 -10.331 -3.730 646 HA LYS 85 HA LYS 85 -20.005 -10.398 -3.806 647 HB2 LYS 85 HB2 LYS 85 -19.268 -8.529 -5.224 648 HB3 LYS 85 HB3 LYS 85 -18.189 -9.587 -6.108 649 HG2 LYS 85 HG2 LYS 85 -20.144 -8.951 -7.345 650 HG3 LYS 85 HG3 LYS 85 -20.023 -10.683 -7.213 651 HD2 LYS 85 HD2 LYS 85 -21.845 -8.976 -5.476 652 HD3 LYS 85 HD3 LYS 85 -22.347 -9.638 -7.023 653 HE2 LYS 85 HE2 LYS 85 -21.496 -11.286 -4.601 654 HE3 LYS 85 HE3 LYS 85 -23.155 -10.928 -5.085 655 HZ1 LYS 85 HZ1 LYS 85 -22.365 -13.120 -5.790 656 HZ2 LYS 85 HZ2 LYS 85 -21.265 -12.429 -6.792 657 HZ3 LYS 85 HZ3 LYS 85 -22.900 -12.221 -7.031 Start of MODEL 18 1 H1 GLY 1 HN GLY 1 13.787 -4.413 -7.726 2 HA2 GLY 1 HA1 GLY 1 13.510 -1.994 -7.859 3 HA3 GLY 1 HA2 GLY 1 13.063 -2.588 -6.249 4 H SER 2 HN SER 2 13.541 -0.276 -5.714 5 HA SER 2 HA SER 2 16.368 0.326 -5.131 6 HB2 SER 2 HB2 SER 2 13.713 1.584 -4.672 7 HB3 SER 2 HB3 SER 2 14.978 1.919 -3.493 8 HG SER 2 HG SER 2 15.142 2.334 -6.312 9 H GLU 3 HN GLU 3 16.636 0.702 -2.637 10 HA GLU 3 HA GLU 3 16.833 -1.652 -1.261 11 HB2 GLU 3 HB2 GLU 3 17.066 -0.283 0.768 12 HB3 GLU 3 HB3 GLU 3 17.982 0.358 -0.598 13 HG2 GLU 3 HG2 GLU 3 16.556 2.207 -0.893 14 HG3 GLU 3 HG3 GLU 3 15.255 1.519 0.070 15 H ASN 4 HN ASN 4 14.020 0.441 -1.373 16 HA ASN 4 HA ASN 4 12.810 -0.281 1.008 17 HB2 ASN 4 HB2 ASN 4 10.994 0.308 -1.329 18 HB3 ASN 4 HB3 ASN 4 10.918 0.890 0.319 19 HD21 ASN 4 HD21 ASN 4 12.241 1.389 -2.903 20 HD22 ASN 4 HD22 ASN 4 12.889 2.995 -2.547 21 H PHE 5 HN PHE 5 12.701 -1.830 -2.112 22 HA PHE 5 HA PHE 5 10.603 -3.628 -1.963 23 HB2 PHE 5 HB2 PHE 5 12.186 -3.261 -3.861 24 HB3 PHE 5 HB3 PHE 5 13.453 -4.063 -2.962 25 HD1 PHE 5 HD1 PHE 5 9.858 -4.800 -3.887 26 HD2 PHE 5 HD2 PHE 5 13.924 -6.238 -3.665 27 HE1 PHE 5 HE1 PHE 5 9.182 -6.954 -4.945 28 HE2 PHE 5 HE2 PHE 5 13.243 -8.336 -4.759 29 HZ PHE 5 HZ PHE 5 10.849 -8.640 -5.499 30 H GLN 6 HN GLN 6 13.915 -4.070 -0.602 31 HA GLN 6 HA GLN 6 13.290 -6.694 0.411 32 HB2 GLN 6 HB2 GLN 6 15.561 -6.056 -0.208 33 HB3 GLN 6 HB3 GLN 6 15.580 -4.804 1.039 34 HG2 GLN 6 HG2 GLN 6 16.831 -6.754 1.752 35 HG3 GLN 6 HG3 GLN 6 15.433 -6.505 2.792 36 HE21 GLN 6 HE21 GLN 6 13.710 -8.057 2.740 37 HE22 GLN 6 HE22 GLN 6 14.014 -9.689 2.168 38 H THR 7 HN THR 7 12.995 -3.391 1.833 39 HA THR 7 HA THR 7 12.560 -4.241 4.523 40 HB THR 7 HB THR 7 11.230 -1.891 3.121 41 HG1 THR 7 HG1 THR 7 13.871 -2.063 4.160 42 HG21 THR 7 HG21 THR 7 10.529 -2.306 5.459 43 HG22 THR 7 HG22 THR 7 11.417 -0.781 5.286 44 HG23 THR 7 HG23 THR 7 12.223 -2.196 5.977 45 H LEU 8 HN LEU 8 10.321 -3.778 1.704 46 HA LEU 8 HA LEU 8 8.000 -4.566 3.215 47 HB2 LEU 8 HB2 LEU 8 8.531 -4.604 0.219 48 HB3 LEU 8 HB3 LEU 8 7.049 -5.133 0.959 49 HG LEU 8 HG LEU 8 6.395 -3.056 0.392 50 HD11 LEU 8 HD11 LEU 8 7.765 -2.293 3.008 51 HD12 LEU 8 HD12 LEU 8 6.143 -3.004 2.852 52 HD13 LEU 8 HD13 LEU 8 6.479 -1.396 2.224 53 HD21 LEU 8 HD21 LEU 8 9.058 -1.775 0.979 54 HD22 LEU 8 HD22 LEU 8 7.713 -1.063 0.116 55 HD23 LEU 8 HD23 LEU 8 8.604 -2.404 -0.633 56 H LEU 9 HN LEU 9 10.303 -6.489 1.256 57 HA LEU 9 HA LEU 9 8.894 -8.977 1.561 58 HB2 LEU 9 HB2 LEU 9 11.788 -8.267 0.980 59 HB3 LEU 9 HB3 LEU 9 11.359 -9.916 1.339 60 HG LEU 9 HG LEU 9 11.498 -9.763 -0.964 61 HD11 LEU 9 HD11 LEU 9 8.503 -9.743 -0.451 62 HD12 LEU 9 HD12 LEU 9 9.588 -11.104 -0.070 63 HD13 LEU 9 HD13 LEU 9 9.403 -10.576 -1.739 64 HD21 LEU 9 HD21 LEU 9 10.112 -8.282 -2.373 65 HD22 LEU 9 HD22 LEU 9 11.368 -7.482 -1.420 66 HD23 LEU 9 HD23 LEU 9 9.670 -7.390 -0.901 67 H ASP 10 HN ASP 10 10.671 -7.161 3.870 68 HA ASP 10 HA ASP 10 11.098 -9.476 5.713 69 HB2 ASP 10 HB2 ASP 10 12.822 -7.689 5.490 70 HB3 ASP 10 HB3 ASP 10 11.646 -6.506 6.060 71 H ALA 11 HN ALA 11 8.980 -6.704 5.175 72 HA ALA 11 HA ALA 11 7.944 -6.347 7.745 73 HB1 ALA 11 HB1 ALA 11 6.728 -5.711 5.024 74 HB2 ALA 11 HB2 ALA 11 6.220 -4.989 6.557 75 HB3 ALA 11 HB3 ALA 11 7.853 -4.655 5.930 76 H GLY 12 HN GLY 12 7.210 -8.791 5.507 77 HA2 GLY 12 HA1 GLY 12 5.917 -10.594 6.474 78 HA3 GLY 12 HA2 GLY 12 4.676 -9.494 6.948 79 H LEU 13 HN LEU 13 6.162 -8.995 3.809 80 HA LEU 13 HA LEU 13 3.427 -9.318 2.782 81 HB2 LEU 13 HB2 LEU 13 5.732 -7.534 1.902 82 HB3 LEU 13 HB3 LEU 13 4.089 -7.506 1.276 83 HG LEU 13 HG LEU 13 4.771 -7.000 4.219 84 HD11 LEU 13 HD11 LEU 13 4.354 -4.671 3.880 85 HD12 LEU 13 HD12 LEU 13 4.093 -4.920 2.140 86 HD13 LEU 13 HD13 LEU 13 5.678 -5.225 2.852 87 HD21 LEU 13 HD21 LEU 13 2.575 -7.735 4.212 88 HD22 LEU 13 HD22 LEU 13 2.241 -7.077 2.603 89 HD23 LEU 13 HD23 LEU 13 2.341 -6.007 4.006 90 HA PRO 14 HA PRO 14 4.656 -12.178 -0.403 91 HB2 PRO 14 HB2 PRO 14 2.747 -11.676 -2.314 92 HB3 PRO 14 HB3 PRO 14 2.414 -12.573 -0.817 93 HG2 PRO 14 HG2 PRO 14 1.937 -9.664 -1.432 94 HG3 PRO 14 HG3 PRO 14 0.804 -10.811 -0.628 95 HD2 PRO 14 HD2 PRO 14 2.351 -9.008 0.738 96 HD3 PRO 14 HD3 PRO 14 1.977 -10.633 1.390 97 H GLN 15 HN GLN 15 5.562 -12.125 -2.630 98 HA GLN 15 HA GLN 15 7.345 -9.895 -2.703 99 HB2 GLN 15 HB2 GLN 15 8.089 -12.150 -3.224 100 HB3 GLN 15 HB3 GLN 15 6.915 -12.320 -4.524 101 HG2 GLN 15 HG2 GLN 15 8.111 -11.011 -5.991 102 HG3 GLN 15 HG3 GLN 15 8.756 -9.979 -4.736 103 HE21 GLN 15 HE21 GLN 15 10.920 -10.172 -4.417 104 HE22 GLN 15 HE22 GLN 15 11.879 -11.536 -4.874 105 H LYS 16 HN LYS 16 4.577 -11.054 -4.609 106 HA LYS 16 HA LYS 16 4.936 -9.392 -6.787 107 HB2 LYS 16 HB2 LYS 16 2.490 -10.637 -5.486 108 HB3 LYS 16 HB3 LYS 16 2.215 -9.426 -6.717 109 HG2 LYS 16 HG2 LYS 16 2.044 -11.503 -7.718 110 HG3 LYS 16 HG3 LYS 16 3.477 -10.706 -8.364 111 HD2 LYS 16 HD2 LYS 16 3.673 -12.780 -6.150 112 HD3 LYS 16 HD3 LYS 16 3.514 -13.239 -7.848 113 HE2 LYS 16 HE2 LYS 16 5.491 -11.744 -8.376 114 HE3 LYS 16 HE3 LYS 16 5.754 -11.570 -6.645 115 HZ1 LYS 16 HZ1 LYS 16 7.083 -13.337 -7.538 116 HZ2 LYS 16 HZ2 LYS 16 5.787 -14.063 -8.195 117 HZ3 LYS 16 HZ3 LYS 16 5.931 -14.023 -6.554 118 H VAL 17 HN VAL 17 2.926 -8.764 -3.912 119 HA VAL 17 HA VAL 17 2.130 -6.157 -4.611 120 HB VAL 17 HB VAL 17 2.481 -7.460 -1.855 121 HG11 VAL 17 HG11 VAL 17 2.085 -5.020 -1.813 122 HG12 VAL 17 HG12 VAL 17 0.616 -5.226 -2.790 123 HG13 VAL 17 HG13 VAL 17 0.707 -5.922 -1.182 124 HG21 VAL 17 HG21 VAL 17 1.028 -8.846 -3.416 125 HG22 VAL 17 HG22 VAL 17 0.167 -8.167 -2.056 126 HG23 VAL 17 HG23 VAL 17 0.011 -7.419 -3.659 127 H ALA 18 HN ALA 18 4.911 -7.316 -2.553 128 HA ALA 18 HA ALA 18 5.895 -4.866 -1.972 129 HB1 ALA 18 HB1 ALA 18 6.771 -6.986 -1.034 130 HB2 ALA 18 HB2 ALA 18 7.576 -7.353 -2.575 131 HB3 ALA 18 HB3 ALA 18 8.089 -5.957 -1.626 132 H GLU 19 HN GLU 19 6.556 -6.629 -5.036 133 HA GLU 19 HA GLU 19 8.606 -5.003 -6.115 134 HB2 GLU 19 HB2 GLU 19 6.252 -6.281 -7.542 135 HB3 GLU 19 HB3 GLU 19 7.649 -5.575 -8.349 136 HG2 GLU 19 HG2 GLU 19 9.065 -7.413 -7.370 137 HG3 GLU 19 HG3 GLU 19 7.602 -8.118 -6.690 138 H LYS 20 HN LYS 20 5.167 -4.491 -5.891 139 HA LYS 20 HA LYS 20 5.177 -2.132 -7.680 140 HB2 LYS 20 HB2 LYS 20 3.059 -3.924 -6.441 141 HB3 LYS 20 HB3 LYS 20 2.637 -2.348 -7.078 142 HG2 LYS 20 HG2 LYS 20 2.236 -3.873 -8.820 143 HG3 LYS 20 HG3 LYS 20 3.656 -2.929 -9.263 144 HD2 LYS 20 HD2 LYS 20 5.146 -4.728 -8.858 145 HD3 LYS 20 HD3 LYS 20 3.913 -5.637 -7.969 146 HE2 LYS 20 HE2 LYS 20 2.736 -6.230 -9.920 147 HE3 LYS 20 HE3 LYS 20 3.586 -5.033 -10.892 148 HZ1 LYS 20 HZ1 LYS 20 5.585 -6.331 -10.721 149 HZ2 LYS 20 HZ2 LYS 20 4.356 -7.287 -11.249 150 HZ3 LYS 20 HZ3 LYS 20 4.914 -7.416 -9.701 151 H LEU 21 HN LEU 21 5.359 -2.797 -4.297 152 HA LEU 21 HA LEU 21 4.487 -0.115 -3.441 153 HB2 LEU 21 HB2 LEU 21 5.357 -2.673 -2.177 154 HB3 LEU 21 HB3 LEU 21 6.125 -1.293 -1.451 155 HG LEU 21 HG LEU 21 3.358 -0.628 -1.789 156 HD11 LEU 21 HD11 LEU 21 3.848 -3.108 -0.086 157 HD12 LEU 21 HD12 LEU 21 3.147 -3.180 -1.733 158 HD13 LEU 21 HD13 LEU 21 2.279 -2.360 -0.420 159 HD21 LEU 21 HD21 LEU 21 4.189 0.535 -0.220 160 HD22 LEU 21 HD22 LEU 21 5.185 -0.779 0.491 161 HD23 LEU 21 HD23 LEU 21 3.435 -0.704 0.789 162 H ASP 22 HN ASP 22 7.493 -1.743 -4.149 163 HA ASP 22 HA ASP 22 9.318 -0.059 -2.876 164 HB2 ASP 22 HB2 ASP 22 10.140 -2.035 -3.864 165 HB3 ASP 22 HB3 ASP 22 9.489 -1.632 -5.450 166 H GLU 23 HN GLU 23 8.027 0.265 -6.123 167 HA GLU 23 HA GLU 23 9.234 2.725 -6.899 168 HB2 GLU 23 HB2 GLU 23 6.822 1.036 -7.698 169 HB3 GLU 23 HB3 GLU 23 7.259 2.548 -8.579 170 HG2 GLU 23 HG2 GLU 23 9.664 1.442 -8.610 171 HG3 GLU 23 HG3 GLU 23 8.774 -0.066 -8.389 172 H ILE 24 HN ILE 24 6.855 2.358 -4.516 173 HA ILE 24 HA ILE 24 5.661 5.022 -5.027 174 HB ILE 24 HB ILE 24 5.041 3.211 -2.677 175 HG12 ILE 24 HG12 ILE 24 3.952 3.101 -5.507 176 HG13 ILE 24 HG13 ILE 24 4.760 1.803 -4.696 177 HG21 ILE 24 HG21 ILE 24 3.210 5.099 -4.234 178 HG22 ILE 24 HG22 ILE 24 2.982 4.411 -2.606 179 HG23 ILE 24 HG23 ILE 24 4.191 5.652 -2.886 180 HD11 ILE 24 HD11 ILE 24 1.997 2.815 -3.989 181 HD12 ILE 24 HD12 ILE 24 2.430 1.327 -4.827 182 HD13 ILE 24 HD13 ILE 24 2.928 1.540 -3.134 183 H TYR 25 HN TYR 25 8.336 3.602 -3.447 184 HA TYR 25 HA TYR 25 8.694 5.907 -1.607 185 HB2 TYR 25 HB2 TYR 25 10.046 3.221 -1.710 186 HB3 TYR 25 HB3 TYR 25 10.275 4.450 -0.461 187 HD1 TYR 25 HD2 TYR 25 8.104 5.300 0.726 188 HD2 TYR 25 HD1 TYR 25 8.311 1.620 -1.480 189 HE1 TYR 25 HE2 TYR 25 6.058 4.521 1.872 190 HE2 TYR 25 HE1 TYR 25 6.180 0.901 -0.521 191 HH TYR 25 HH TYR 25 4.638 2.812 2.174 192 H VAL 26 HN VAL 26 9.577 5.412 -4.700 193 HA VAL 26 HA VAL 26 12.350 6.504 -4.396 194 HB VAL 26 HB VAL 26 11.097 4.907 -6.635 195 HG11 VAL 26 HG11 VAL 26 13.073 6.087 -7.499 196 HG12 VAL 26 HG12 VAL 26 14.027 5.575 -6.100 197 HG13 VAL 26 HG13 VAL 26 13.469 4.398 -7.309 198 HG21 VAL 26 HG21 VAL 26 12.378 2.963 -5.836 199 HG22 VAL 26 HG22 VAL 26 13.048 3.940 -4.497 200 HG23 VAL 26 HG23 VAL 26 11.337 3.520 -4.544 201 H ALA 27 HN ALA 27 9.257 7.550 -5.222 202 HA ALA 27 HA ALA 27 10.200 9.285 -7.483 203 HB1 ALA 27 HB1 ALA 27 7.466 8.176 -6.802 204 HB2 ALA 27 HB2 ALA 27 7.803 9.346 -8.101 205 HB3 ALA 27 HB3 ALA 27 8.520 7.716 -8.156 206 H GLY 28 HN GLY 28 9.880 9.511 -4.286 207 HA2 GLY 28 HA1 GLY 28 9.797 11.370 -2.880 208 HA3 GLY 28 HA2 GLY 28 9.430 12.406 -4.276 209 H LEU 29 HN LEU 29 7.419 9.653 -3.944 210 HA LEU 29 HA LEU 29 5.016 11.265 -3.513 211 HB2 LEU 29 HB2 LEU 29 5.435 8.264 -3.826 212 HB3 LEU 29 HB3 LEU 29 3.863 9.061 -3.756 213 HG LEU 29 HG LEU 29 5.959 9.660 -5.897 214 HD11 LEU 29 HD11 LEU 29 5.314 7.328 -6.042 215 HD12 LEU 29 HD12 LEU 29 4.561 8.244 -7.369 216 HD13 LEU 29 HD13 LEU 29 3.590 7.766 -5.963 217 HD21 LEU 29 HD21 LEU 29 4.366 11.481 -5.679 218 HD22 LEU 29 HD22 LEU 29 3.002 10.347 -5.694 219 HD23 LEU 29 HD23 LEU 29 3.996 10.577 -7.148 220 H VAL 30 HN VAL 30 6.151 8.231 -1.855 221 HA VAL 30 HA VAL 30 5.735 9.728 0.722 222 HB VAL 30 HB VAL 30 4.964 7.543 1.742 223 HG11 VAL 30 HG11 VAL 30 2.656 7.894 1.115 224 HG12 VAL 30 HG12 VAL 30 3.495 9.457 1.245 225 HG13 VAL 30 HG13 VAL 30 3.132 8.782 -0.350 226 HG21 VAL 30 HG21 VAL 30 4.239 6.794 -1.105 227 HG22 VAL 30 HG22 VAL 30 5.622 6.083 -0.250 228 HG23 VAL 30 HG23 VAL 30 3.975 5.843 0.373 229 H ALA 31 HN ALA 31 6.847 9.078 2.571 230 HA ALA 31 HA ALA 31 9.515 7.862 2.297 231 HB1 ALA 31 HB1 ALA 31 9.450 8.105 4.800 232 HB2 ALA 31 HB2 ALA 31 9.256 9.634 3.946 233 HB3 ALA 31 HB3 ALA 31 7.846 8.834 4.669 234 H HIS 32 HN HIS 32 10.070 5.893 3.176 235 HA HIS 32 HA HIS 32 8.258 3.727 3.071 236 HB2 HIS 32 HB2 HIS 32 10.000 2.446 4.223 237 HB3 HIS 32 HB3 HIS 32 10.590 3.319 2.815 238 HD1 HIS 32 HD1 HIS 32 11.534 2.646 6.320 239 HD2 HIS 32 HD2 HIS 32 11.975 5.728 3.481 240 HE1 HIS 32 HE1 HIS 32 13.487 4.053 7.096 241 H SER 33 HN SER 33 9.398 5.606 5.882 242 HA SER 33 HA SER 33 7.872 3.895 7.700 243 HB2 SER 33 HB2 SER 33 10.172 4.826 8.140 244 HB3 SER 33 HB3 SER 33 9.428 6.420 8.359 245 HG SER 33 HG SER 33 9.791 5.095 10.300 246 H ASP 34 HN ASP 34 6.663 6.243 5.672 247 HA ASP 34 HA ASP 34 5.414 8.004 7.557 248 HB2 ASP 34 HB2 ASP 34 5.705 8.204 4.902 249 HB3 ASP 34 HB3 ASP 34 4.098 7.502 4.890 250 H LEU 35 HN LEU 35 4.583 4.839 6.375 251 HA LEU 35 HA LEU 35 1.756 5.009 6.899 252 HB2 LEU 35 HB2 LEU 35 3.612 2.619 6.462 253 HB3 LEU 35 HB3 LEU 35 1.876 2.500 6.623 254 HG LEU 35 HG LEU 35 2.347 2.365 4.342 255 HD11 LEU 35 HD11 LEU 35 0.391 3.748 4.902 256 HD12 LEU 35 HD12 LEU 35 1.112 4.211 3.350 257 HD13 LEU 35 HD13 LEU 35 1.404 5.224 4.759 258 HD21 LEU 35 HD21 LEU 35 3.886 4.986 4.323 259 HD22 LEU 35 HD22 LEU 35 3.529 3.948 2.959 260 HD23 LEU 35 HD23 LEU 35 4.606 3.367 4.255 261 H ASP 36 HN ASP 36 0.616 3.713 8.563 262 HA ASP 36 HA ASP 36 2.105 3.759 11.141 263 HB2 ASP 36 HB2 ASP 36 -0.884 4.109 10.722 264 HB3 ASP 36 HB3 ASP 36 0.008 4.232 12.245 265 H GLU 37 HN GLU 37 1.156 2.167 12.717 266 HA GLU 37 HA GLU 37 1.408 -0.388 11.746 267 HB2 GLU 37 HB2 GLU 37 1.314 0.610 14.224 268 HB3 GLU 37 HB3 GLU 37 -0.351 0.052 14.163 269 HG2 GLU 37 HG2 GLU 37 0.957 -1.720 15.098 270 HG3 GLU 37 HG3 GLU 37 0.488 -2.239 13.474 271 H ARG 38 HN ARG 38 -1.661 1.382 12.152 272 HA ARG 38 HA ARG 38 -3.430 -0.722 11.580 273 HB2 ARG 38 HB2 ARG 38 -3.649 2.210 10.748 274 HB3 ARG 38 HB3 ARG 38 -4.964 1.056 10.593 275 HG2 ARG 38 HG2 ARG 38 -3.964 0.984 13.323 276 HG3 ARG 38 HG3 ARG 38 -4.245 2.650 12.847 277 HD2 ARG 38 HD2 ARG 38 -6.255 1.840 13.862 278 HD3 ARG 38 HD3 ARG 38 -6.563 2.013 12.128 279 HE ARG 38 HE ARG 38 -5.671 -0.648 12.957 280 HH11 ARG 38 HH11 ARG 38 -8.619 1.418 12.923 281 HH12 ARG 38 HH12 ARG 38 -9.647 0.033 12.683 282 HH21 ARG 38 HH21 ARG 38 -7.246 -2.448 12.718 283 HH22 ARG 38 HH22 ARG 38 -8.914 -2.001 12.588 284 H ALA 39 HN ALA 39 -1.413 1.062 9.331 285 HA ALA 39 HA ALA 39 -2.745 -0.025 6.936 286 HB1 ALA 39 HB1 ALA 39 -0.874 1.067 5.730 287 HB2 ALA 39 HB2 ALA 39 -1.729 2.211 6.793 288 HB3 ALA 39 HB3 ALA 39 -0.148 1.541 7.273 289 H ILE 40 HN ILE 40 0.177 -0.670 8.936 290 HA ILE 40 HA ILE 40 1.313 -2.619 7.151 291 HB ILE 40 HB ILE 40 1.570 -2.485 10.194 292 HG12 ILE 40 HG12 ILE 40 2.153 -0.289 9.502 293 HG13 ILE 40 HG13 ILE 40 3.631 -1.148 9.853 294 HG21 ILE 40 HG21 ILE 40 3.720 -3.534 9.951 295 HG22 ILE 40 HG22 ILE 40 2.514 -4.542 9.165 296 HG23 ILE 40 HG23 ILE 40 3.589 -3.543 8.179 297 HD11 ILE 40 HD11 ILE 40 4.034 -1.451 7.423 298 HD12 ILE 40 HD12 ILE 40 2.543 -0.552 7.063 299 HD13 ILE 40 HD13 ILE 40 3.894 0.252 7.875 300 H GLU 41 HN GLU 41 -0.890 -2.853 9.944 301 HA GLU 41 HA GLU 41 -1.334 -5.669 9.900 302 HB2 GLU 41 HB2 GLU 41 -1.850 -4.083 11.787 303 HB3 GLU 41 HB3 GLU 41 -3.098 -3.328 10.803 304 HG2 GLU 41 HG2 GLU 41 -4.183 -4.799 12.318 305 HG3 GLU 41 HG3 GLU 41 -4.308 -5.552 10.728 306 H ALA 42 HN ALA 42 -3.339 -2.967 8.516 307 HA ALA 42 HA ALA 42 -5.249 -4.605 7.333 308 HB1 ALA 42 HB1 ALA 42 -4.227 -1.906 6.376 309 HB2 ALA 42 HB2 ALA 42 -5.751 -2.675 5.886 310 HB3 ALA 42 HB3 ALA 42 -5.517 -2.186 7.571 311 H LEU 43 HN LEU 43 -2.116 -3.531 5.974 312 HA LEU 43 HA LEU 43 -2.392 -4.731 3.415 313 HB2 LEU 43 HB2 LEU 43 -0.053 -3.934 5.156 314 HB3 LEU 43 HB3 LEU 43 0.276 -4.833 3.708 315 HG LEU 43 HG LEU 43 -1.253 -2.219 3.818 316 HD11 LEU 43 HD11 LEU 43 1.092 -1.918 4.430 317 HD12 LEU 43 HD12 LEU 43 0.750 -1.181 2.869 318 HD13 LEU 43 HD13 LEU 43 1.613 -2.731 2.937 319 HD21 LEU 43 HD21 LEU 43 -0.200 -3.627 1.325 320 HD22 LEU 43 HD22 LEU 43 -1.037 -2.082 1.388 321 HD23 LEU 43 HD23 LEU 43 -1.902 -3.551 1.777 322 H LYS 44 HN LYS 44 -0.846 -6.144 6.397 323 HA LYS 44 HA LYS 44 -0.559 -8.729 5.411 324 HB2 LYS 44 HB2 LYS 44 -0.555 -7.378 8.032 325 HB3 LYS 44 HB3 LYS 44 -1.319 -8.949 8.138 326 HG2 LYS 44 HG2 LYS 44 0.916 -9.435 8.588 327 HG3 LYS 44 HG3 LYS 44 0.724 -9.894 6.899 328 HD2 LYS 44 HD2 LYS 44 2.714 -8.754 6.811 329 HD3 LYS 44 HD3 LYS 44 1.653 -7.482 6.406 330 HE2 LYS 44 HE2 LYS 44 3.101 -6.508 7.912 331 HE3 LYS 44 HE3 LYS 44 1.650 -6.811 8.882 332 HZ1 LYS 44 HZ1 LYS 44 3.578 -7.399 10.103 333 HZ2 LYS 44 HZ2 LYS 44 4.226 -8.238 8.886 334 HZ3 LYS 44 HZ3 LYS 44 2.913 -8.836 9.727 335 H GLU 45 HN GLU 45 -3.686 -7.159 5.953 336 HA GLU 45 HA GLU 45 -5.008 -9.753 6.411 337 HB2 GLU 45 HB2 GLU 45 -6.344 -7.137 5.723 338 HB3 GLU 45 HB3 GLU 45 -7.033 -8.601 6.417 339 HG2 GLU 45 HG2 GLU 45 -6.186 -8.193 8.560 340 HG3 GLU 45 HG3 GLU 45 -5.279 -6.799 7.982 341 H PHE 46 HN PHE 46 -3.874 -8.311 3.525 342 HA PHE 46 HA PHE 46 -6.315 -8.980 1.964 343 HB2 PHE 46 HB2 PHE 46 -3.947 -7.229 1.519 344 HB3 PHE 46 HB3 PHE 46 -4.735 -7.923 0.119 345 HD1 PHE 46 HD1 PHE 46 -7.163 -7.499 -0.379 346 HD2 PHE 46 HD2 PHE 46 -5.067 -5.448 2.776 347 HE1 PHE 46 HE1 PHE 46 -8.987 -5.862 -0.237 348 HE2 PHE 46 HE2 PHE 46 -6.923 -3.820 2.947 349 HZ PHE 46 HZ PHE 46 -8.924 -4.021 1.437 350 H ASN 47 HN ASN 47 -5.493 -9.724 -0.331 351 HA ASN 47 HA ASN 47 -3.736 -12.109 -0.081 352 HB2 ASN 47 HB2 ASN 47 -4.800 -13.131 -1.997 353 HB3 ASN 47 HB3 ASN 47 -5.990 -12.796 -0.778 354 HD21 ASN 47 HD21 ASN 47 -5.266 -12.380 -4.103 355 HD22 ASN 47 HD22 ASN 47 -6.565 -11.280 -4.466 356 H GLU 48 HN GLU 48 -2.722 -12.523 -2.261 357 HA GLU 48 HA GLU 48 -0.925 -10.558 -2.815 358 HB2 GLU 48 HB2 GLU 48 -1.050 -13.150 -3.283 359 HB3 GLU 48 HB3 GLU 48 -1.706 -12.698 -4.860 360 HG2 GLU 48 HG2 GLU 48 0.274 -11.322 -5.273 361 HG3 GLU 48 HG3 GLU 48 0.863 -11.692 -3.646 362 H ASP 49 HN ASP 49 -3.320 -11.621 -5.236 363 HA ASP 49 HA ASP 49 -3.125 -9.316 -6.905 364 HB2 ASP 49 HB2 ASP 49 -3.730 -11.676 -7.469 365 HB3 ASP 49 HB3 ASP 49 -5.238 -11.434 -6.622 366 H GLY 50 HN GLY 50 -4.730 -9.770 -3.893 367 HA2 GLY 50 HA1 GLY 50 -6.888 -7.862 -4.236 368 HA3 GLY 50 HA2 GLY 50 -6.287 -8.533 -2.711 369 H ALA 51 HN ALA 51 -4.058 -7.801 -2.073 370 HA ALA 51 HA ALA 51 -3.898 -5.035 -1.710 371 HB1 ALA 51 HB1 ALA 51 -2.708 -6.595 -0.287 372 HB2 ALA 51 HB2 ALA 51 -1.743 -7.169 -1.657 373 HB3 ALA 51 HB3 ALA 51 -1.540 -5.505 -1.039 374 H LEU 52 HN LEU 52 -2.471 -7.018 -4.355 375 HA LEU 52 HA LEU 52 -0.858 -4.973 -5.486 376 HB2 LEU 52 HB2 LEU 52 -0.741 -7.453 -5.907 377 HB3 LEU 52 HB3 LEU 52 -2.265 -7.331 -6.789 378 HG LEU 52 HG LEU 52 -1.099 -5.837 -8.450 379 HD11 LEU 52 HD11 LEU 52 1.385 -5.876 -8.414 380 HD12 LEU 52 HD12 LEU 52 1.350 -6.568 -6.782 381 HD13 LEU 52 HD13 LEU 52 0.708 -4.929 -7.084 382 HD21 LEU 52 HD21 LEU 52 -1.314 -8.293 -8.793 383 HD22 LEU 52 HD22 LEU 52 0.209 -8.546 -7.924 384 HD23 LEU 52 HD23 LEU 52 0.203 -7.672 -9.478 385 H ALA 53 HN ALA 53 -4.307 -5.943 -6.266 386 HA ALA 53 HA ALA 53 -4.674 -3.791 -8.107 387 HB1 ALA 53 HB1 ALA 53 -6.703 -5.094 -6.252 388 HB2 ALA 53 HB2 ALA 53 -7.046 -4.137 -7.705 389 HB3 ALA 53 HB3 ALA 53 -6.219 -5.700 -7.855 390 H VAL 54 HN VAL 54 -5.222 -3.958 -4.568 391 HA VAL 54 HA VAL 54 -6.311 -1.413 -4.160 392 HB VAL 54 HB VAL 54 -4.531 -3.039 -2.298 393 HG11 VAL 54 HG11 VAL 54 -4.720 -1.017 -1.200 394 HG12 VAL 54 HG12 VAL 54 -6.437 -0.815 -1.619 395 HG13 VAL 54 HG13 VAL 54 -5.915 -2.051 -0.449 396 HG21 VAL 54 HG21 VAL 54 -7.509 -3.044 -1.976 397 HG22 VAL 54 HG22 VAL 54 -6.890 -4.013 -3.293 398 HG23 VAL 54 HG23 VAL 54 -6.332 -4.310 -1.636 399 H LEU 55 HN LEU 55 -2.985 -2.271 -4.787 400 HA LEU 55 HA LEU 55 -1.713 0.145 -3.806 401 HB2 LEU 55 HB2 LEU 55 -0.885 -2.110 -5.688 402 HB3 LEU 55 HB3 LEU 55 0.113 -0.702 -5.538 403 HG LEU 55 HG LEU 55 -0.607 -2.480 -3.187 404 HD11 LEU 55 HD11 LEU 55 1.929 -2.268 -4.864 405 HD12 LEU 55 HD12 LEU 55 0.802 -3.631 -4.895 406 HD13 LEU 55 HD13 LEU 55 1.728 -3.278 -3.432 407 HD21 LEU 55 HD21 LEU 55 0.007 -0.079 -2.629 408 HD22 LEU 55 HD22 LEU 55 1.537 -0.346 -3.482 409 HD23 LEU 55 HD23 LEU 55 1.140 -1.288 -2.034 410 H GLN 56 HN GLN 56 -2.832 -1.009 -6.997 411 HA GLN 56 HA GLN 56 -1.853 1.119 -8.567 412 HB2 GLN 56 HB2 GLN 56 -2.857 -1.028 -9.392 413 HB3 GLN 56 HB3 GLN 56 -4.448 -0.442 -8.877 414 HG2 GLN 56 HG2 GLN 56 -4.197 1.499 -10.459 415 HG3 GLN 56 HG3 GLN 56 -2.672 0.802 -11.013 416 HE21 GLN 56 HE21 GLN 56 -4.708 -1.863 -10.386 417 HE22 GLN 56 HE22 GLN 56 -5.449 -1.979 -11.953 418 H GLN 57 HN GLN 57 -4.828 0.780 -6.630 419 HA GLN 57 HA GLN 57 -5.904 3.310 -7.583 420 HB2 GLN 57 HB2 GLN 57 -7.000 1.039 -6.455 421 HB3 GLN 57 HB3 GLN 57 -7.087 2.179 -5.111 422 HG2 GLN 57 HG2 GLN 57 -8.077 3.873 -6.779 423 HG3 GLN 57 HG3 GLN 57 -8.176 2.529 -7.907 424 HE21 GLN 57 HE21 GLN 57 -9.450 0.505 -6.890 425 HE22 GLN 57 HE22 GLN 57 -10.870 0.910 -5.958 426 H PHE 58 HN PHE 58 -3.504 2.777 -5.543 427 HA PHE 58 HA PHE 58 -3.891 5.338 -3.999 428 HB2 PHE 58 HB2 PHE 58 -3.485 3.465 -2.555 429 HB3 PHE 58 HB3 PHE 58 -2.027 3.014 -3.434 430 HD1 PHE 58 HD2 PHE 58 -3.542 5.468 -1.133 431 HD2 PHE 58 HD1 PHE 58 0.080 4.253 -3.106 432 HE1 PHE 58 HE2 PHE 58 -2.216 6.906 0.416 433 HE2 PHE 58 HE1 PHE 58 1.399 5.714 -1.574 434 HZ PHE 58 HZ PHE 58 0.255 7.027 0.180 435 H LYS 59 HN LYS 59 -1.536 3.506 -6.064 436 HA LYS 59 HA LYS 59 0.404 5.625 -6.172 437 HB2 LYS 59 HB2 LYS 59 -0.166 3.160 -7.772 438 HB3 LYS 59 HB3 LYS 59 0.670 4.434 -8.620 439 HG2 LYS 59 HG2 LYS 59 1.905 4.056 -6.022 440 HG3 LYS 59 HG3 LYS 59 1.703 2.522 -6.843 441 HD2 LYS 59 HD2 LYS 59 3.758 3.050 -7.679 442 HD3 LYS 59 HD3 LYS 59 2.789 3.816 -8.918 443 HE2 LYS 59 HE2 LYS 59 3.064 6.020 -7.813 444 HE3 LYS 59 HE3 LYS 59 3.963 5.306 -6.466 445 HZ1 LYS 59 HZ1 LYS 59 4.936 4.972 -9.250 446 HZ2 LYS 59 HZ2 LYS 59 5.787 4.890 -7.855 447 HZ3 LYS 59 HZ3 LYS 59 5.251 6.324 -8.447 448 H ASP 60 HN ASP 60 -2.650 5.147 -7.885 449 HA ASP 60 HA ASP 60 -2.065 7.326 -9.720 450 HB2 ASP 60 HB2 ASP 60 -3.717 5.178 -9.859 451 HB3 ASP 60 HB3 ASP 60 -4.882 6.406 -9.416 452 H SER 61 HN SER 61 -2.686 7.547 -6.405 453 HA SER 61 HA SER 61 -4.541 9.817 -6.518 454 HB2 SER 61 HB2 SER 61 -3.074 8.506 -4.189 455 HB3 SER 61 HB3 SER 61 -4.530 9.531 -4.121 456 HG SER 61 HG SER 61 -5.710 7.907 -5.089 457 H ASP 62 HN ASP 62 -3.743 11.708 -4.791 458 HA ASP 62 HA ASP 62 -1.087 12.564 -5.532 459 HB2 ASP 62 HB2 ASP 62 -2.910 14.729 -4.893 460 HB3 ASP 62 HB3 ASP 62 -1.919 14.366 -6.235 461 H LEU 63 HN LEU 63 -0.265 11.461 -3.500 462 HA LEU 63 HA LEU 63 -1.529 12.147 -1.126 463 HB2 LEU 63 HB2 LEU 63 1.145 10.784 -1.615 464 HB3 LEU 63 HB3 LEU 63 0.039 10.611 -0.243 465 HG LEU 63 HG LEU 63 -0.290 8.765 -1.526 466 HD11 LEU 63 HD11 LEU 63 -2.385 9.847 -0.745 467 HD12 LEU 63 HD12 LEU 63 -2.581 8.650 -2.036 468 HD13 LEU 63 HD13 LEU 63 -2.650 10.378 -2.408 469 HD21 LEU 63 HD21 LEU 63 -0.559 8.295 -3.685 470 HD22 LEU 63 HD22 LEU 63 0.855 9.330 -3.523 471 HD23 LEU 63 HD23 LEU 63 -0.656 9.984 -4.155 472 H SER 64 HN SER 64 0.817 14.125 -2.743 473 HA SER 64 HA SER 64 2.629 14.844 -0.967 474 HB2 SER 64 HB2 SER 64 1.254 17.017 -2.533 475 HB3 SER 64 HB3 SER 64 2.968 16.674 -2.311 476 HG SER 64 HG SER 64 2.133 16.245 -4.409 477 H HIS 65 HN HIS 65 -0.490 16.614 -1.288 478 HA HIS 65 HA HIS 65 0.072 18.141 1.127 479 HB2 HIS 65 HB2 HIS 65 -2.405 18.154 -0.635 480 HB3 HIS 65 HB3 HIS 65 -1.879 19.385 0.512 481 HD1 HIS 65 HD1 HIS 65 -0.995 18.091 -3.002 482 HD2 HIS 65 HD2 HIS 65 0.065 21.037 -0.190 483 HE1 HIS 65 HE1 HIS 65 0.533 19.712 -4.233 484 H VAL 66 HN VAL 66 -1.078 15.047 0.917 485 HA VAL 66 HA VAL 66 -3.499 15.161 2.449 486 HB VAL 66 HB VAL 66 -1.473 12.966 1.905 487 HG11 VAL 66 HG11 VAL 66 -4.212 12.604 3.167 488 HG12 VAL 66 HG12 VAL 66 -3.080 11.332 2.633 489 HG13 VAL 66 HG13 VAL 66 -2.643 12.363 3.979 490 HG21 VAL 66 HG21 VAL 66 -2.743 13.775 -0.067 491 HG22 VAL 66 HG22 VAL 66 -3.228 12.132 0.366 492 HG23 VAL 66 HG23 VAL 66 -4.261 13.504 0.798 493 H GLN 67 HN GLN 67 -3.835 14.667 4.599 494 HA GLN 67 HA GLN 67 -2.037 15.739 6.544 495 HB2 GLN 67 HB2 GLN 67 -4.680 15.547 6.371 496 HB3 GLN 67 HB3 GLN 67 -4.469 14.012 7.186 497 HG2 GLN 67 HG2 GLN 67 -3.585 16.748 8.154 498 HG3 GLN 67 HG3 GLN 67 -4.999 15.852 8.710 499 HE21 GLN 67 HE21 GLN 67 -4.603 13.828 10.011 500 HE22 GLN 67 HE22 GLN 67 -3.074 13.727 10.877 501 H ASN 68 HN ASN 68 -3.484 12.437 6.806 502 HA ASN 68 HA ASN 68 -0.805 11.330 7.528 503 HB2 ASN 68 HB2 ASN 68 -3.596 10.135 7.779 504 HB3 ASN 68 HB3 ASN 68 -2.093 9.314 8.194 505 HD21 ASN 68 HD21 ASN 68 -4.658 10.441 9.737 506 HD22 ASN 68 HD22 ASN 68 -3.843 10.988 11.170 507 H LYS 69 HN LYS 69 0.243 10.439 5.731 508 HA LYS 69 HA LYS 69 -1.008 9.783 3.247 509 HB2 LYS 69 HB2 LYS 69 1.433 8.441 4.502 510 HB3 LYS 69 HB3 LYS 69 1.022 8.457 2.798 511 HG2 LYS 69 HG2 LYS 69 1.730 10.955 4.422 512 HG3 LYS 69 HG3 LYS 69 2.857 10.020 3.443 513 HD2 LYS 69 HD2 LYS 69 1.405 10.403 1.479 514 HD3 LYS 69 HD3 LYS 69 0.416 11.524 2.410 515 HE2 LYS 69 HE2 LYS 69 3.405 11.958 2.463 516 HE3 LYS 69 HE3 LYS 69 2.572 12.319 0.940 517 HZ1 LYS 69 HZ1 LYS 69 1.208 13.875 2.010 518 HZ2 LYS 69 HZ2 LYS 69 2.730 14.233 2.470 519 HZ3 LYS 69 HZ3 LYS 69 1.753 13.480 3.531 520 H SER 70 HN SER 70 -0.457 7.923 6.106 521 HA SER 70 HA SER 70 -1.147 5.353 5.092 522 HB2 SER 70 HB2 SER 70 -0.395 4.659 7.069 523 HB3 SER 70 HB3 SER 70 -0.096 6.363 7.465 524 HG SER 70 HG SER 70 -1.297 5.925 9.057 525 H ALA 71 HN ALA 71 -3.126 7.638 7.025 526 HA ALA 71 HA ALA 71 -5.463 6.036 6.860 527 HB1 ALA 71 HB1 ALA 71 -5.209 7.969 8.421 528 HB2 ALA 71 HB2 ALA 71 -5.404 9.069 7.026 529 HB3 ALA 71 HB3 ALA 71 -6.728 7.995 7.499 530 H PHE 72 HN PHE 72 -4.012 8.040 4.384 531 HA PHE 72 HA PHE 72 -6.382 8.302 2.731 532 HB2 PHE 72 HB2 PHE 72 -4.347 9.659 2.460 533 HB3 PHE 72 HB3 PHE 72 -3.520 8.269 1.766 534 HD1 PHE 72 HD2 PHE 72 -4.844 7.079 -0.282 535 HD2 PHE 72 HD1 PHE 72 -5.467 11.152 1.033 536 HE1 PHE 72 HE2 PHE 72 -5.847 7.633 -2.459 537 HE2 PHE 72 HE1 PHE 72 -6.396 11.706 -1.194 538 HZ PHE 72 HZ PHE 72 -6.615 9.955 -2.928 539 H LEU 73 HN LEU 73 -3.599 6.145 2.790 540 HA LEU 73 HA LEU 73 -4.279 4.275 0.810 541 HB2 LEU 73 HB2 LEU 73 -2.055 4.602 2.020 542 HB3 LEU 73 HB3 LEU 73 -2.765 3.837 3.425 543 HG LEU 73 HG LEU 73 -3.267 1.819 1.899 544 HD11 LEU 73 HD11 LEU 73 -2.830 2.982 -0.199 545 HD12 LEU 73 HD12 LEU 73 -1.737 1.611 -0.017 546 HD13 LEU 73 HD13 LEU 73 -1.138 3.263 0.258 547 HD21 LEU 73 HD21 LEU 73 -1.597 1.798 3.693 548 HD22 LEU 73 HD22 LEU 73 -0.397 2.539 2.616 549 HD23 LEU 73 HD23 LEU 73 -1.012 0.909 2.284 550 H CYS 74 HN CYS 74 -4.849 4.156 4.327 551 HA CYS 74 HA CYS 74 -6.182 1.675 4.291 552 HB2 CYS 74 HB2 CYS 74 -5.150 3.172 6.250 553 HB3 CYS 74 HB3 CYS 74 -6.834 3.725 6.402 554 HG CYS 74 HG CYS 74 -7.787 1.188 6.369 555 H GLY 75 HN GLY 75 -7.355 4.863 3.449 556 HA2 GLY 75 HA1 GLY 75 -10.191 4.383 3.782 557 HA3 GLY 75 HA2 GLY 75 -9.439 5.578 2.712 558 H VAL 76 HN VAL 76 -7.951 4.165 0.958 559 HA VAL 76 HA VAL 76 -9.777 3.051 -0.878 560 HB VAL 76 HB VAL 76 -6.737 2.770 -0.680 561 HG11 VAL 76 HG11 VAL 76 -6.672 2.144 -2.960 562 HG12 VAL 76 HG12 VAL 76 -7.673 0.982 -2.121 563 HG13 VAL 76 HG13 VAL 76 -8.449 2.240 -3.122 564 HG21 VAL 76 HG21 VAL 76 -7.493 5.113 -0.932 565 HG22 VAL 76 HG22 VAL 76 -6.719 4.531 -2.408 566 HG23 VAL 76 HG23 VAL 76 -8.482 4.645 -2.334 567 H MET 77 HN MET 77 -7.533 1.393 1.421 568 HA MET 77 HA MET 77 -8.269 -1.262 0.884 569 HB2 MET 77 HB2 MET 77 -7.626 0.029 3.557 570 HB3 MET 77 HB3 MET 77 -7.738 -1.706 3.304 571 HG2 MET 77 HG2 MET 77 -5.855 -1.749 1.873 572 HG3 MET 77 HG3 MET 77 -5.850 0.010 1.666 573 HE1 MET 77 HE1 MET 77 -2.567 -0.539 3.501 574 HE2 MET 77 HE2 MET 77 -3.296 -1.939 2.658 575 HE3 MET 77 HE3 MET 77 -3.411 -0.320 1.944 576 H LYS 78 HN LYS 78 -10.048 1.084 2.999 577 HA LYS 78 HA LYS 78 -11.839 -0.842 4.096 578 HB2 LYS 78 HB2 LYS 78 -11.511 1.663 4.789 579 HB3 LYS 78 HB3 LYS 78 -12.662 2.012 3.483 580 HG2 LYS 78 HG2 LYS 78 -14.165 0.208 4.613 581 HG3 LYS 78 HG3 LYS 78 -13.095 0.329 5.994 582 HD2 LYS 78 HD2 LYS 78 -14.173 2.947 5.011 583 HD3 LYS 78 HD3 LYS 78 -15.385 1.788 5.498 584 HE2 LYS 78 HE2 LYS 78 -15.034 2.993 7.434 585 HE3 LYS 78 HE3 LYS 78 -14.151 1.492 7.695 586 HZ1 LYS 78 HZ1 LYS 78 -12.978 4.100 6.948 587 HZ2 LYS 78 HZ2 LYS 78 -12.102 2.694 7.176 588 HZ3 LYS 78 HZ3 LYS 78 -12.889 3.361 8.415 589 H THR 79 HN THR 79 -12.094 1.218 1.128 590 HA THR 79 HA THR 79 -14.617 0.319 0.322 591 HB THR 79 HB THR 79 -12.413 0.925 -1.638 592 HG1 THR 79 HG1 THR 79 -12.572 3.068 -1.192 593 HG21 THR 79 HG21 THR 79 -15.315 1.853 -1.434 594 HG22 THR 79 HG22 THR 79 -14.740 0.512 -2.450 595 HG23 THR 79 HG23 THR 79 -14.203 2.162 -2.789 596 H TYR 80 HN TYR 80 -11.364 -0.961 -0.755 597 HA TYR 80 HA TYR 80 -12.402 -3.030 -2.328 598 HB2 TYR 80 HB2 TYR 80 -9.800 -2.699 -0.833 599 HB3 TYR 80 HB3 TYR 80 -10.184 -4.237 -1.592 600 HD1 TYR 80 HD1 TYR 80 -10.376 -4.518 -3.999 601 HD2 TYR 80 HD2 TYR 80 -9.304 -0.735 -2.264 602 HE1 TYR 80 HE1 TYR 80 -9.588 -3.759 -6.197 603 HE2 TYR 80 HE2 TYR 80 -8.461 0.046 -4.442 604 HH TYR 80 HH TYR 80 -8.717 -2.009 -7.414 605 H ARG 81 HN ARG 81 -11.733 -3.119 1.254 606 HA ARG 81 HA ARG 81 -12.474 -5.902 1.333 607 HB2 ARG 81 HB2 ARG 81 -10.875 -4.436 2.940 608 HB3 ARG 81 HB3 ARG 81 -12.377 -4.287 3.858 609 HG2 ARG 81 HG2 ARG 81 -12.293 -6.997 3.121 610 HG3 ARG 81 HG3 ARG 81 -10.603 -6.636 3.393 611 HD2 ARG 81 HD2 ARG 81 -10.987 -6.109 5.689 612 HD3 ARG 81 HD3 ARG 81 -12.722 -5.903 5.446 613 HE ARG 81 HE ARG 81 -11.255 -8.388 5.803 614 HH11 ARG 81 HH11 ARG 81 -14.231 -6.963 4.503 615 HH12 ARG 81 HH12 ARG 81 -15.056 -8.449 4.368 616 HH21 ARG 81 HH21 ARG 81 -12.488 -10.378 5.889 617 HH22 ARG 81 HH22 ARG 81 -14.178 -10.361 5.506 618 H GLN 82 HN GLN 82 -14.427 -3.249 1.001 619 HA GLN 82 HA GLN 82 -16.786 -4.824 1.864 620 HB2 GLN 82 HB2 GLN 82 -15.993 -2.161 2.846 621 HB3 GLN 82 HB3 GLN 82 -17.568 -2.140 2.073 622 HG2 GLN 82 HG2 GLN 82 -16.902 -4.210 4.169 623 HG3 GLN 82 HG3 GLN 82 -17.457 -2.597 4.606 624 HE21 GLN 82 HE21 GLN 82 -19.716 -1.904 4.042 625 HE22 GLN 82 HE22 GLN 82 -20.848 -3.145 3.586 626 H ARG 83 HN ARG 83 -16.612 -5.564 -0.305 627 HA ARG 83 HA ARG 83 -17.933 -3.885 -2.286 628 HB2 ARG 83 HB2 ARG 83 -15.126 -4.943 -2.441 629 HB3 ARG 83 HB3 ARG 83 -16.155 -5.370 -3.799 630 HG2 ARG 83 HG2 ARG 83 -16.833 -2.957 -3.982 631 HG3 ARG 83 HG3 ARG 83 -15.576 -2.578 -2.784 632 HD2 ARG 83 HD2 ARG 83 -13.847 -3.432 -4.261 633 HD3 ARG 83 HD3 ARG 83 -15.041 -4.135 -5.359 634 HE ARG 83 HE ARG 83 -14.109 -1.411 -5.218 635 HH11 ARG 83 HH11 ARG 83 -16.879 -3.420 -6.359 636 HH12 ARG 83 HH12 ARG 83 -17.413 -2.250 -7.512 637 HH21 ARG 83 HH21 ARG 83 -14.765 0.031 -6.867 638 HH22 ARG 83 HH22 ARG 83 -16.272 -0.197 -7.703 639 H GLU 84 HN GLU 84 -19.830 -5.107 -2.203 640 HA GLU 84 HA GLU 84 -19.644 -7.925 -2.931 641 HB2 GLU 84 HB2 GLU 84 -21.131 -6.769 -1.051 642 HB3 GLU 84 HB3 GLU 84 -22.124 -6.252 -2.407 643 HG2 GLU 84 HG2 GLU 84 -22.580 -8.369 -3.075 644 HG3 GLU 84 HG3 GLU 84 -21.280 -9.153 -2.139 645 H LYS 85 HN LYS 85 -20.028 -8.405 -5.105 646 HA LYS 85 HA LYS 85 -21.738 -6.946 -6.798 647 HB2 LYS 85 HB2 LYS 85 -19.662 -5.618 -7.186 648 HB3 LYS 85 HB3 LYS 85 -18.779 -7.117 -7.537 649 HG2 LYS 85 HG2 LYS 85 -19.398 -5.853 -9.540 650 HG3 LYS 85 HG3 LYS 85 -20.095 -7.468 -9.552 651 HD2 LYS 85 HD2 LYS 85 -22.277 -6.687 -9.407 652 HD3 LYS 85 HD3 LYS 85 -21.826 -5.304 -8.398 653 HE2 LYS 85 HE2 LYS 85 -22.569 -4.481 -10.519 654 HE3 LYS 85 HE3 LYS 85 -20.842 -4.151 -10.282 655 HZ1 LYS 85 HZ1 LYS 85 -22.051 -6.130 -12.116 656 HZ2 LYS 85 HZ2 LYS 85 -20.477 -6.232 -11.674 657 HZ3 LYS 85 HZ3 LYS 85 -20.978 -4.908 -12.457 Start of MODEL 19 1 H1 GLY 1 HN GLY 1 14.436 -1.247 -8.937 2 HA2 GLY 1 HA1 GLY 1 13.868 0.645 -7.601 3 HA3 GLY 1 HA2 GLY 1 13.557 -0.831 -6.636 4 H SER 2 HN SER 2 13.929 0.059 -4.608 5 HA SER 2 HA SER 2 16.622 1.213 -4.105 6 HB2 SER 2 HB2 SER 2 13.928 2.264 -3.370 7 HB3 SER 2 HB3 SER 2 15.477 3.048 -2.988 8 HG SER 2 HG SER 2 15.809 3.449 -5.109 9 H GLU 3 HN GLU 3 16.279 1.839 -1.449 10 HA GLU 3 HA GLU 3 16.901 -0.571 -0.162 11 HB2 GLU 3 HB2 GLU 3 16.693 0.754 1.917 12 HB3 GLU 3 HB3 GLU 3 17.628 1.575 0.679 13 HG2 GLU 3 HG2 GLU 3 15.846 3.134 0.211 14 HG3 GLU 3 HG3 GLU 3 14.699 2.213 1.188 15 H ASN 4 HN ASN 4 13.778 0.921 -0.684 16 HA ASN 4 HA ASN 4 12.480 0.033 1.616 17 HB2 ASN 4 HB2 ASN 4 10.874 0.456 -0.881 18 HB3 ASN 4 HB3 ASN 4 10.508 0.866 0.773 19 HD21 ASN 4 HD21 ASN 4 12.041 1.838 -2.176 20 HD22 ASN 4 HD22 ASN 4 12.525 3.458 -1.638 21 H PHE 5 HN PHE 5 12.791 -1.414 -1.587 22 HA PHE 5 HA PHE 5 11.044 -3.558 -1.478 23 HB2 PHE 5 HB2 PHE 5 12.405 -3.061 -3.416 24 HB3 PHE 5 HB3 PHE 5 13.882 -3.508 -2.641 25 HD1 PHE 5 HD1 PHE 5 10.506 -4.733 -3.661 26 HD2 PHE 5 HD2 PHE 5 14.559 -5.875 -2.697 27 HE1 PHE 5 HE1 PHE 5 9.999 -7.085 -4.227 28 HE2 PHE 5 HE2 PHE 5 14.058 -8.203 -3.420 29 HZ PHE 5 HZ PHE 5 11.763 -8.820 -4.206 30 H GLN 6 HN GLN 6 14.411 -3.701 -0.262 31 HA GLN 6 HA GLN 6 14.113 -6.364 0.750 32 HB2 GLN 6 HB2 GLN 6 16.310 -5.461 0.281 33 HB3 GLN 6 HB3 GLN 6 16.085 -4.157 1.447 34 HG2 GLN 6 HG2 GLN 6 17.537 -5.787 2.408 35 HG3 GLN 6 HG3 GLN 6 16.019 -5.807 3.283 36 HE21 GLN 6 HE21 GLN 6 14.580 -7.658 3.029 37 HE22 GLN 6 HE22 GLN 6 15.272 -9.216 2.615 38 H THR 7 HN THR 7 13.658 -3.204 2.469 39 HA THR 7 HA THR 7 13.254 -4.561 5.008 40 HB THR 7 HB THR 7 14.167 -2.332 4.902 41 HG1 THR 7 HG1 THR 7 12.981 -1.406 6.492 42 HG21 THR 7 HG21 THR 7 11.468 -1.476 3.814 43 HG22 THR 7 HG22 THR 7 13.058 -1.447 2.988 44 HG23 THR 7 HG23 THR 7 12.774 -0.381 4.342 45 H LEU 8 HN LEU 8 11.072 -3.750 2.273 46 HA LEU 8 HA LEU 8 8.637 -4.337 3.737 47 HB2 LEU 8 HB2 LEU 8 9.396 -4.388 0.816 48 HB3 LEU 8 HB3 LEU 8 7.881 -5.013 1.345 49 HG LEU 8 HG LEU 8 6.910 -3.027 1.611 50 HD11 LEU 8 HD11 LEU 8 8.187 -2.142 3.494 51 HD12 LEU 8 HD12 LEU 8 7.897 -0.885 2.285 52 HD13 LEU 8 HD13 LEU 8 9.495 -1.633 2.406 53 HD21 LEU 8 HD21 LEU 8 7.672 -1.422 -0.102 54 HD22 LEU 8 HD22 LEU 8 7.833 -3.086 -0.679 55 HD23 LEU 8 HD23 LEU 8 9.254 -2.190 -0.141 56 H LEU 9 HN LEU 9 11.067 -6.352 2.019 57 HA LEU 9 HA LEU 9 9.557 -8.812 2.241 58 HB2 LEU 9 HB2 LEU 9 12.465 -8.203 1.734 59 HB3 LEU 9 HB3 LEU 9 11.977 -9.813 2.168 60 HG LEU 9 HG LEU 9 12.154 -9.758 -0.131 61 HD11 LEU 9 HD11 LEU 9 9.154 -9.605 0.031 62 HD12 LEU 9 HD12 LEU 9 10.062 -10.925 0.802 63 HD13 LEU 9 HD13 LEU 9 10.193 -10.644 -0.942 64 HD21 LEU 9 HD21 LEU 9 12.062 -7.457 -0.654 65 HD22 LEU 9 HD22 LEU 9 10.342 -7.345 -0.216 66 HD23 LEU 9 HD23 LEU 9 10.837 -8.293 -1.625 67 H ASP 10 HN ASP 10 11.276 -6.946 4.573 68 HA ASP 10 HA ASP 10 11.241 -9.217 6.498 69 HB2 ASP 10 HB2 ASP 10 13.110 -7.264 6.178 70 HB3 ASP 10 HB3 ASP 10 12.118 -6.526 7.436 71 H ALA 11 HN ALA 11 9.309 -6.488 5.625 72 HA ALA 11 HA ALA 11 8.021 -6.058 8.147 73 HB1 ALA 11 HB1 ALA 11 7.038 -5.299 5.370 74 HB2 ALA 11 HB2 ALA 11 6.501 -4.605 6.912 75 HB3 ALA 11 HB3 ALA 11 8.157 -4.335 6.356 76 H GLY 12 HN GLY 12 7.997 -8.847 6.701 77 HA2 GLY 12 HA1 GLY 12 6.680 -10.675 6.883 78 HA3 GLY 12 HA2 GLY 12 5.449 -9.709 7.699 79 H LEU 13 HN LEU 13 6.517 -8.682 4.535 80 HA LEU 13 HA LEU 13 3.813 -9.283 3.429 81 HB2 LEU 13 HB2 LEU 13 5.955 -7.358 2.559 82 HB3 LEU 13 HB3 LEU 13 4.358 -7.524 1.857 83 HG LEU 13 HG LEU 13 4.793 -6.591 4.704 84 HD11 LEU 13 HD11 LEU 13 4.633 -4.290 3.765 85 HD12 LEU 13 HD12 LEU 13 4.653 -4.950 2.119 86 HD13 LEU 13 HD13 LEU 13 6.070 -5.114 3.150 87 HD21 LEU 13 HD21 LEU 13 2.553 -5.625 4.310 88 HD22 LEU 13 HD22 LEU 13 2.517 -7.381 4.025 89 HD23 LEU 13 HD23 LEU 13 2.569 -6.264 2.642 90 HA PRO 14 HA PRO 14 5.659 -12.027 0.345 91 HB2 PRO 14 HB2 PRO 14 3.968 -11.657 -1.803 92 HB3 PRO 14 HB3 PRO 14 3.506 -12.575 -0.339 93 HG2 PRO 14 HG2 PRO 14 2.977 -9.700 -1.031 94 HG3 PRO 14 HG3 PRO 14 1.785 -10.894 -0.442 95 HD2 PRO 14 HD2 PRO 14 2.926 -9.101 1.217 96 HD3 PRO 14 HD3 PRO 14 2.697 -10.792 1.744 97 H GLN 15 HN GLN 15 6.691 -12.070 -1.884 98 HA GLN 15 HA GLN 15 8.296 -9.726 -2.302 99 HB2 GLN 15 HB2 GLN 15 9.185 -11.956 -2.758 100 HB3 GLN 15 HB3 GLN 15 7.865 -12.322 -3.864 101 HG2 GLN 15 HG2 GLN 15 8.624 -10.647 -5.469 102 HG3 GLN 15 HG3 GLN 15 9.877 -10.088 -4.350 103 HE21 GLN 15 HE21 GLN 15 11.665 -11.561 -3.923 104 HE22 GLN 15 HE22 GLN 15 11.842 -13.053 -4.795 105 H LYS 16 HN LYS 16 5.553 -11.305 -4.055 106 HA LYS 16 HA LYS 16 5.925 -9.574 -6.153 107 HB2 LYS 16 HB2 LYS 16 4.190 -11.751 -5.693 108 HB3 LYS 16 HB3 LYS 16 3.092 -10.433 -6.062 109 HG2 LYS 16 HG2 LYS 16 5.330 -10.398 -7.957 110 HG3 LYS 16 HG3 LYS 16 4.738 -12.017 -7.817 111 HD2 LYS 16 HD2 LYS 16 3.536 -11.089 -9.601 112 HD3 LYS 16 HD3 LYS 16 2.381 -11.062 -8.265 113 HE2 LYS 16 HE2 LYS 16 2.976 -8.673 -7.831 114 HE3 LYS 16 HE3 LYS 16 4.151 -8.740 -9.157 115 HZ1 LYS 16 HZ1 LYS 16 1.239 -9.128 -9.459 116 HZ2 LYS 16 HZ2 LYS 16 2.292 -9.141 -10.681 117 HZ3 LYS 16 HZ3 LYS 16 2.037 -7.745 -9.853 118 H VAL 17 HN VAL 17 4.263 -8.895 -3.235 119 HA VAL 17 HA VAL 17 2.887 -6.485 -4.189 120 HB VAL 17 HB VAL 17 3.536 -7.613 -1.436 121 HG11 VAL 17 HG11 VAL 17 1.872 -5.121 -1.988 122 HG12 VAL 17 HG12 VAL 17 2.174 -5.884 -0.417 123 HG13 VAL 17 HG13 VAL 17 3.508 -5.117 -1.277 124 HG21 VAL 17 HG21 VAL 17 0.887 -7.170 -2.868 125 HG22 VAL 17 HG22 VAL 17 1.711 -8.739 -2.755 126 HG23 VAL 17 HG23 VAL 17 1.116 -7.948 -1.287 127 H ALA 18 HN ALA 18 5.812 -7.118 -2.132 128 HA ALA 18 HA ALA 18 6.827 -4.628 -2.039 129 HB1 ALA 18 HB1 ALA 18 8.428 -7.185 -2.312 130 HB2 ALA 18 HB2 ALA 18 9.117 -5.615 -1.854 131 HB3 ALA 18 HB3 ALA 18 7.917 -6.354 -0.830 132 H GLU 19 HN GLU 19 7.366 -6.819 -4.768 133 HA GLU 19 HA GLU 19 9.184 -5.231 -6.268 134 HB2 GLU 19 HB2 GLU 19 7.208 -7.481 -6.759 135 HB3 GLU 19 HB3 GLU 19 7.798 -6.671 -8.183 136 HG2 GLU 19 HG2 GLU 19 9.976 -7.466 -6.289 137 HG3 GLU 19 HG3 GLU 19 9.001 -8.760 -6.907 138 H LYS 20 HN LYS 20 5.942 -4.809 -5.766 139 HA LYS 20 HA LYS 20 5.743 -2.646 -7.895 140 HB2 LYS 20 HB2 LYS 20 3.620 -4.361 -6.553 141 HB3 LYS 20 HB3 LYS 20 3.232 -2.838 -7.350 142 HG2 LYS 20 HG2 LYS 20 2.747 -4.464 -8.896 143 HG3 LYS 20 HG3 LYS 20 4.189 -3.655 -9.465 144 HD2 LYS 20 HD2 LYS 20 4.837 -6.131 -7.966 145 HD3 LYS 20 HD3 LYS 20 3.695 -6.415 -9.284 146 HE2 LYS 20 HE2 LYS 20 5.406 -5.003 -10.710 147 HE3 LYS 20 HE3 LYS 20 6.525 -5.396 -9.411 148 HZ1 LYS 20 HZ1 LYS 20 6.071 -7.783 -9.910 149 HZ2 LYS 20 HZ2 LYS 20 6.768 -6.959 -11.100 150 HZ3 LYS 20 HZ3 LYS 20 5.195 -7.291 -11.246 151 H LEU 21 HN LEU 21 5.873 -3.170 -4.490 152 HA LEU 21 HA LEU 21 4.553 -0.634 -3.749 153 HB2 LEU 21 HB2 LEU 21 4.315 -2.905 -2.538 154 HB3 LEU 21 HB3 LEU 21 6.004 -2.684 -2.038 155 HG LEU 21 HG LEU 21 5.539 -0.915 -0.629 156 HD11 LEU 21 HD11 LEU 21 2.808 -0.781 -1.898 157 HD12 LEU 21 HD12 LEU 21 4.034 0.503 -1.736 158 HD13 LEU 21 HD13 LEU 21 3.166 -0.067 -0.307 159 HD21 LEU 21 HD21 LEU 21 3.236 -2.878 -0.298 160 HD22 LEU 21 HD22 LEU 21 4.051 -1.943 0.974 161 HD23 LEU 21 HD23 LEU 21 4.927 -3.225 0.134 162 H ASP 22 HN ASP 22 7.829 -1.964 -4.042 163 HA ASP 22 HA ASP 22 9.188 -0.144 -2.365 164 HB2 ASP 22 HB2 ASP 22 10.278 -2.075 -3.150 165 HB3 ASP 22 HB3 ASP 22 9.906 -1.736 -4.819 166 H GLU 23 HN GLU 23 8.184 0.235 -5.877 167 HA GLU 23 HA GLU 23 9.416 2.606 -6.483 168 HB2 GLU 23 HB2 GLU 23 8.528 1.168 -8.097 169 HB3 GLU 23 HB3 GLU 23 6.959 0.987 -7.251 170 HG2 GLU 23 HG2 GLU 23 6.312 3.190 -7.788 171 HG3 GLU 23 HG3 GLU 23 7.893 3.541 -8.491 172 H ILE 24 HN ILE 24 6.506 1.978 -4.620 173 HA ILE 24 HA ILE 24 5.213 4.498 -4.877 174 HB ILE 24 HB ILE 24 5.046 2.692 -2.509 175 HG12 ILE 24 HG12 ILE 24 4.638 1.410 -4.675 176 HG13 ILE 24 HG13 ILE 24 3.281 1.522 -3.599 177 HG21 ILE 24 HG21 ILE 24 3.101 4.741 -3.611 178 HG22 ILE 24 HG22 ILE 24 2.693 3.536 -2.388 179 HG23 ILE 24 HG23 ILE 24 3.928 4.735 -2.038 180 HD11 ILE 24 HD11 ILE 24 2.720 1.732 -6.011 181 HD12 ILE 24 HD12 ILE 24 2.088 3.022 -4.981 182 HD13 ILE 24 HD13 ILE 24 3.520 3.316 -6.014 183 H TYR 25 HN TYR 25 8.007 3.393 -3.112 184 HA TYR 25 HA TYR 25 8.203 5.884 -1.510 185 HB2 TYR 25 HB2 TYR 25 9.754 3.314 -1.370 186 HB3 TYR 25 HB3 TYR 25 9.820 4.642 -0.198 187 HD1 TYR 25 HD1 TYR 25 7.326 5.361 0.604 188 HD2 TYR 25 HD2 TYR 25 8.462 1.449 -0.774 189 HE1 TYR 25 HE1 TYR 25 5.412 4.366 1.878 190 HE2 TYR 25 HE2 TYR 25 6.625 0.438 0.536 191 HH TYR 25 HH TYR 25 5.333 1.625 3.006 192 H VAL 26 HN VAL 26 9.070 5.171 -4.569 193 HA VAL 26 HA VAL 26 11.800 6.364 -4.400 194 HB VAL 26 HB VAL 26 10.507 4.581 -6.495 195 HG11 VAL 26 HG11 VAL 26 12.726 4.355 -7.478 196 HG12 VAL 26 HG12 VAL 26 12.229 6.053 -7.523 197 HG13 VAL 26 HG13 VAL 26 13.398 5.483 -6.300 198 HG21 VAL 26 HG21 VAL 26 11.030 3.368 -4.422 199 HG22 VAL 26 HG22 VAL 26 12.171 2.897 -5.677 200 HG23 VAL 26 HG23 VAL 26 12.649 4.054 -4.397 201 H ALA 27 HN ALA 27 8.586 6.739 -5.880 202 HA ALA 27 HA ALA 27 9.510 8.765 -7.781 203 HB1 ALA 27 HB1 ALA 27 7.766 7.089 -8.343 204 HB2 ALA 27 HB2 ALA 27 6.706 7.805 -7.123 205 HB3 ALA 27 HB3 ALA 27 7.201 8.760 -8.527 206 H GLY 28 HN GLY 28 9.817 9.235 -4.849 207 HA2 GLY 28 HA1 GLY 28 9.834 10.959 -3.463 208 HA3 GLY 28 HA2 GLY 28 9.129 11.960 -4.764 209 H LEU 29 HN LEU 29 7.211 9.229 -3.867 210 HA LEU 29 HA LEU 29 5.043 10.999 -3.237 211 HB2 LEU 29 HB2 LEU 29 5.157 7.960 -2.955 212 HB3 LEU 29 HB3 LEU 29 3.718 8.950 -2.875 213 HG LEU 29 HG LEU 29 5.301 9.408 -5.365 214 HD11 LEU 29 HD11 LEU 29 4.219 6.666 -4.666 215 HD12 LEU 29 HD12 LEU 29 5.834 7.104 -5.186 216 HD13 LEU 29 HD13 LEU 29 4.504 7.216 -6.351 217 HD21 LEU 29 HD21 LEU 29 3.078 10.357 -5.041 218 HD22 LEU 29 HD22 LEU 29 2.377 8.748 -4.807 219 HD23 LEU 29 HD23 LEU 29 3.061 9.212 -6.384 220 H VAL 30 HN VAL 30 6.308 8.313 -1.264 221 HA VAL 30 HA VAL 30 5.577 9.819 1.213 222 HB VAL 30 HB VAL 30 5.190 7.267 2.008 223 HG11 VAL 30 HG11 VAL 30 3.638 9.116 2.152 224 HG12 VAL 30 HG12 VAL 30 3.228 8.942 0.448 225 HG13 VAL 30 HG13 VAL 30 2.797 7.658 1.580 226 HG21 VAL 30 HG21 VAL 30 4.185 7.143 -0.855 227 HG22 VAL 30 HG22 VAL 30 5.687 6.370 -0.331 228 HG23 VAL 30 HG23 VAL 30 4.147 5.892 0.415 229 H ALA 31 HN ALA 31 6.478 9.204 3.177 230 HA ALA 31 HA ALA 31 9.296 9.336 3.202 231 HB1 ALA 31 HB1 ALA 31 7.442 8.665 5.499 232 HB2 ALA 31 HB2 ALA 31 8.986 9.524 5.564 233 HB3 ALA 31 HB3 ALA 31 7.579 10.324 4.804 234 H HIS 32 HN HIS 32 8.069 6.574 2.394 235 HA HIS 32 HA HIS 32 7.940 4.421 2.860 236 HB2 HIS 32 HB2 HIS 32 9.821 3.252 3.291 237 HB3 HIS 32 HB3 HIS 32 10.346 4.666 2.412 238 HD1 HIS 32 HD1 HIS 32 12.324 6.030 3.586 239 HD2 HIS 32 HD2 HIS 32 10.226 3.339 6.064 240 HE1 HIS 32 HE1 HIS 32 13.507 6.037 5.826 241 H SER 33 HN SER 33 8.244 6.292 5.787 242 HA SER 33 HA SER 33 6.759 4.154 7.243 243 HB2 SER 33 HB2 SER 33 9.323 5.125 7.719 244 HB3 SER 33 HB3 SER 33 8.353 6.094 8.817 245 HG SER 33 HG SER 33 8.699 3.294 8.668 246 H ASP 34 HN ASP 34 5.654 6.443 5.651 247 HA ASP 34 HA ASP 34 4.794 8.567 7.363 248 HB2 ASP 34 HB2 ASP 34 5.002 8.261 4.669 249 HB3 ASP 34 HB3 ASP 34 3.329 7.931 4.813 250 H LEU 35 HN LEU 35 3.966 5.834 8.350 251 HA LEU 35 HA LEU 35 1.053 5.751 7.779 252 HB2 LEU 35 HB2 LEU 35 3.007 3.411 7.726 253 HB3 LEU 35 HB3 LEU 35 1.298 3.356 7.315 254 HG LEU 35 HG LEU 35 3.441 4.822 5.728 255 HD11 LEU 35 HD11 LEU 35 3.593 2.367 5.550 256 HD12 LEU 35 HD12 LEU 35 3.089 3.113 4.027 257 HD13 LEU 35 HD13 LEU 35 1.895 2.292 5.051 258 HD21 LEU 35 HD21 LEU 35 0.539 4.305 4.960 259 HD22 LEU 35 HD22 LEU 35 1.801 5.230 4.067 260 HD23 LEU 35 HD23 LEU 35 1.142 5.871 5.575 261 H ASP 36 HN ASP 36 0.432 3.403 9.097 262 HA ASP 36 HA ASP 36 1.395 3.369 11.752 263 HB2 ASP 36 HB2 ASP 36 -1.366 3.367 12.261 264 HB3 ASP 36 HB3 ASP 36 -0.206 4.507 12.818 265 H GLU 37 HN GLU 37 0.040 1.638 12.937 266 HA GLU 37 HA GLU 37 0.893 -0.730 11.860 267 HB2 GLU 37 HB2 GLU 37 -0.012 -0.025 14.262 268 HB3 GLU 37 HB3 GLU 37 -1.569 -0.570 13.659 269 HG2 GLU 37 HG2 GLU 37 -0.801 -2.523 14.618 270 HG3 GLU 37 HG3 GLU 37 -0.205 -2.767 12.974 271 H ARG 38 HN ARG 38 -2.439 0.558 11.678 272 HA ARG 38 HA ARG 38 -3.650 -1.645 10.405 273 HB2 ARG 38 HB2 ARG 38 -5.400 -0.166 9.673 274 HB3 ARG 38 HB3 ARG 38 -4.937 0.146 11.342 275 HG2 ARG 38 HG2 ARG 38 -3.457 2.033 10.498 276 HG3 ARG 38 HG3 ARG 38 -4.120 1.715 8.888 277 HD2 ARG 38 HD2 ARG 38 -6.228 2.587 9.449 278 HD3 ARG 38 HD3 ARG 38 -6.046 2.163 11.158 279 HE ARG 38 HE ARG 38 -4.099 4.129 10.603 280 HH11 ARG 38 HH11 ARG 38 -7.444 3.783 11.533 281 HH12 ARG 38 HH12 ARG 38 -7.711 5.448 11.839 282 HH21 ARG 38 HH21 ARG 38 -4.288 6.158 11.163 283 HH22 ARG 38 HH22 ARG 38 -5.768 6.945 11.645 284 H ALA 39 HN ALA 39 -1.436 0.647 8.986 285 HA ALA 39 HA ALA 39 -2.236 0.058 6.241 286 HB1 ALA 39 HB1 ALA 39 0.366 1.240 7.290 287 HB2 ALA 39 HB2 ALA 39 -0.229 1.320 5.636 288 HB3 ALA 39 HB3 ALA 39 -1.089 2.198 6.915 289 H ILE 40 HN ILE 40 0.472 -1.047 8.454 290 HA ILE 40 HA ILE 40 1.457 -2.855 6.446 291 HB ILE 40 HB ILE 40 1.917 -3.082 9.447 292 HG12 ILE 40 HG12 ILE 40 4.127 -1.783 8.515 293 HG13 ILE 40 HG13 ILE 40 2.928 -1.074 7.445 294 HG21 ILE 40 HG21 ILE 40 4.024 -4.126 8.751 295 HG22 ILE 40 HG22 ILE 40 2.676 -5.006 8.048 296 HG23 ILE 40 HG23 ILE 40 3.625 -3.895 7.038 297 HD11 ILE 40 HD11 ILE 40 1.597 -0.564 9.557 298 HD12 ILE 40 HD12 ILE 40 3.024 -1.105 10.471 299 HD13 ILE 40 HD13 ILE 40 3.136 0.306 9.382 300 H GLU 41 HN GLU 41 -0.717 -3.227 9.263 301 HA GLU 41 HA GLU 41 -0.829 -6.055 9.098 302 HB2 GLU 41 HB2 GLU 41 -1.392 -4.518 11.061 303 HB3 GLU 41 HB3 GLU 41 -2.958 -4.206 10.283 304 HG2 GLU 41 HG2 GLU 41 -3.425 -6.664 10.312 305 HG3 GLU 41 HG3 GLU 41 -1.856 -6.935 11.045 306 H ALA 42 HN ALA 42 -3.129 -3.530 7.773 307 HA ALA 42 HA ALA 42 -4.888 -5.570 6.774 308 HB1 ALA 42 HB1 ALA 42 -4.645 -2.653 6.024 309 HB2 ALA 42 HB2 ALA 42 -5.976 -3.734 5.549 310 HB3 ALA 42 HB3 ALA 42 -5.710 -3.343 7.263 311 H LEU 43 HN LEU 43 -1.892 -4.210 5.449 312 HA LEU 43 HA LEU 43 -2.215 -5.140 2.762 313 HB2 LEU 43 HB2 LEU 43 0.053 -4.391 4.583 314 HB3 LEU 43 HB3 LEU 43 0.459 -5.495 3.306 315 HG LEU 43 HG LEU 43 -0.689 -2.728 3.007 316 HD11 LEU 43 HD11 LEU 43 1.495 -2.177 2.053 317 HD12 LEU 43 HD12 LEU 43 2.040 -3.851 2.257 318 HD13 LEU 43 HD13 LEU 43 1.690 -2.859 3.676 319 HD21 LEU 43 HD21 LEU 43 -1.524 -4.039 1.087 320 HD22 LEU 43 HD22 LEU 43 0.090 -4.722 0.825 321 HD23 LEU 43 HD23 LEU 43 -0.215 -2.998 0.541 322 H LYS 44 HN LYS 44 -1.357 -6.837 5.800 323 HA LYS 44 HA LYS 44 -0.536 -9.311 4.549 324 HB2 LYS 44 HB2 LYS 44 -1.905 -9.020 7.243 325 HB3 LYS 44 HB3 LYS 44 -0.873 -10.313 6.702 326 HG2 LYS 44 HG2 LYS 44 0.133 -7.491 7.250 327 HG3 LYS 44 HG3 LYS 44 0.029 -8.778 8.435 328 HD2 LYS 44 HD2 LYS 44 1.433 -10.129 6.616 329 HD3 LYS 44 HD3 LYS 44 1.954 -8.507 6.135 330 HE2 LYS 44 HE2 LYS 44 2.020 -9.609 8.979 331 HE3 LYS 44 HE3 LYS 44 3.387 -9.716 7.861 332 HZ1 LYS 44 HZ1 LYS 44 2.210 -7.323 9.087 333 HZ2 LYS 44 HZ2 LYS 44 3.346 -7.238 7.836 334 HZ3 LYS 44 HZ3 LYS 44 3.713 -7.929 9.263 335 H GLU 45 HN GLU 45 -3.667 -7.828 5.159 336 HA GLU 45 HA GLU 45 -5.058 -10.390 5.374 337 HB2 GLU 45 HB2 GLU 45 -6.109 -7.552 5.463 338 HB3 GLU 45 HB3 GLU 45 -7.036 -9.024 5.755 339 HG2 GLU 45 HG2 GLU 45 -5.150 -9.477 7.590 340 HG3 GLU 45 HG3 GLU 45 -4.937 -7.747 7.490 341 H PHE 46 HN PHE 46 -3.809 -9.626 2.699 342 HA PHE 46 HA PHE 46 -6.260 -10.009 1.062 343 HB2 PHE 46 HB2 PHE 46 -3.950 -8.129 0.550 344 HB3 PHE 46 HB3 PHE 46 -4.950 -8.774 -0.748 345 HD1 PHE 46 HD2 PHE 46 -7.424 -8.385 -0.820 346 HD2 PHE 46 HD1 PHE 46 -4.774 -6.262 1.849 347 HE1 PHE 46 HE2 PHE 46 -9.126 -6.609 -0.544 348 HE2 PHE 46 HE1 PHE 46 -6.483 -4.513 2.151 349 HZ PHE 46 HZ PHE 46 -8.677 -4.677 0.936 350 H ASN 47 HN ASN 47 -5.880 -11.198 -0.834 351 HA ASN 47 HA ASN 47 -3.605 -13.029 -0.974 352 HB2 ASN 47 HB2 ASN 47 -4.566 -13.614 -3.195 353 HB3 ASN 47 HB3 ASN 47 -5.676 -13.853 -1.905 354 HD21 ASN 47 HD21 ASN 47 -5.964 -13.206 -4.968 355 HD22 ASN 47 HD22 ASN 47 -7.174 -11.951 -4.925 356 H GLU 48 HN GLU 48 -2.415 -12.980 -3.150 357 HA GLU 48 HA GLU 48 -0.867 -10.746 -3.488 358 HB2 GLU 48 HB2 GLU 48 -0.493 -13.137 -4.139 359 HB3 GLU 48 HB3 GLU 48 -1.750 -12.988 -5.383 360 HG2 GLU 48 HG2 GLU 48 -0.470 -11.155 -6.381 361 HG3 GLU 48 HG3 GLU 48 0.795 -11.406 -5.136 362 H ASP 49 HN ASP 49 -3.555 -11.944 -5.532 363 HA ASP 49 HA ASP 49 -3.573 -9.637 -7.195 364 HB2 ASP 49 HB2 ASP 49 -4.659 -12.313 -7.177 365 HB3 ASP 49 HB3 ASP 49 -6.020 -11.198 -7.339 366 H GLY 50 HN GLY 50 -4.815 -9.981 -4.076 367 HA2 GLY 50 HA1 GLY 50 -6.930 -7.925 -4.399 368 HA3 GLY 50 HA2 GLY 50 -6.405 -8.708 -2.895 369 H ALA 51 HN ALA 51 -3.809 -8.424 -2.697 370 HA ALA 51 HA ALA 51 -3.443 -5.789 -1.825 371 HB1 ALA 51 HB1 ALA 51 -1.381 -7.949 -2.435 372 HB2 ALA 51 HB2 ALA 51 -1.095 -6.488 -1.452 373 HB3 ALA 51 HB3 ALA 51 -2.237 -7.729 -0.901 374 H LEU 52 HN LEU 52 -2.179 -7.328 -4.853 375 HA LEU 52 HA LEU 52 -0.674 -5.016 -5.717 376 HB2 LEU 52 HB2 LEU 52 -1.828 -7.469 -7.092 377 HB3 LEU 52 HB3 LEU 52 -1.273 -6.107 -8.049 378 HG LEU 52 HG LEU 52 0.485 -7.603 -8.020 379 HD11 LEU 52 HD11 LEU 52 1.367 -5.598 -5.944 380 HD12 LEU 52 HD12 LEU 52 1.041 -5.174 -7.641 381 HD13 LEU 52 HD13 LEU 52 2.310 -6.352 -7.228 382 HD21 LEU 52 HD21 LEU 52 1.625 -8.450 -5.993 383 HD22 LEU 52 HD22 LEU 52 -0.050 -9.007 -6.150 384 HD23 LEU 52 HD23 LEU 52 0.341 -7.724 -4.999 385 H ALA 53 HN ALA 53 -4.083 -6.030 -6.477 386 HA ALA 53 HA ALA 53 -4.627 -3.762 -7.984 387 HB1 ALA 53 HB1 ALA 53 -6.591 -5.156 -6.146 388 HB2 ALA 53 HB2 ALA 53 -6.953 -4.232 -7.616 389 HB3 ALA 53 HB3 ALA 53 -6.084 -5.771 -7.735 390 H VAL 54 HN VAL 54 -4.913 -4.094 -4.411 391 HA VAL 54 HA VAL 54 -5.824 -1.486 -3.819 392 HB VAL 54 HB VAL 54 -3.941 -3.304 -2.275 393 HG11 VAL 54 HG11 VAL 54 -4.373 -2.073 -0.284 394 HG12 VAL 54 HG12 VAL 54 -3.624 -0.993 -1.451 395 HG13 VAL 54 HG13 VAL 54 -5.374 -0.885 -1.164 396 HG21 VAL 54 HG21 VAL 54 -6.294 -4.132 -2.675 397 HG22 VAL 54 HG22 VAL 54 -5.840 -3.943 -0.978 398 HG23 VAL 54 HG23 VAL 54 -6.868 -2.727 -1.777 399 H LEU 55 HN LEU 55 -2.528 -2.565 -4.636 400 HA LEU 55 HA LEU 55 -1.222 -0.091 -3.891 401 HB2 LEU 55 HB2 LEU 55 -0.288 -2.174 -5.913 402 HB3 LEU 55 HB3 LEU 55 0.648 -0.860 -5.282 403 HG LEU 55 HG LEU 55 -0.176 -3.407 -3.910 404 HD11 LEU 55 HD11 LEU 55 1.898 -3.294 -5.217 405 HD12 LEU 55 HD12 LEU 55 2.241 -3.541 -3.502 406 HD13 LEU 55 HD13 LEU 55 2.464 -1.935 -4.231 407 HD21 LEU 55 HD21 LEU 55 -0.763 -1.849 -2.203 408 HD22 LEU 55 HD22 LEU 55 0.666 -0.847 -2.520 409 HD23 LEU 55 HD23 LEU 55 0.837 -2.470 -1.792 410 H GLN 56 HN GLN 56 -2.314 -1.483 -7.009 411 HA GLN 56 HA GLN 56 -1.407 0.643 -8.592 412 HB2 GLN 56 HB2 GLN 56 -2.365 -0.431 -10.360 413 HB3 GLN 56 HB3 GLN 56 -2.436 -1.750 -9.193 414 HG2 GLN 56 HG2 GLN 56 -4.847 -0.778 -8.669 415 HG3 GLN 56 HG3 GLN 56 -4.655 0.038 -10.207 416 HE21 GLN 56 HE21 GLN 56 -6.388 -2.199 -9.038 417 HE22 GLN 56 HE22 GLN 56 -6.341 -3.451 -10.270 418 H GLN 57 HN GLN 57 -4.394 0.320 -6.696 419 HA GLN 57 HA GLN 57 -5.546 2.658 -8.042 420 HB2 GLN 57 HB2 GLN 57 -6.690 0.446 -7.130 421 HB3 GLN 57 HB3 GLN 57 -6.874 1.444 -5.676 422 HG2 GLN 57 HG2 GLN 57 -7.891 3.240 -7.236 423 HG3 GLN 57 HG3 GLN 57 -7.879 1.991 -8.484 424 HE21 GLN 57 HE21 GLN 57 -9.120 2.838 -5.258 425 HE22 GLN 57 HE22 GLN 57 -10.547 1.808 -5.317 426 H PHE 58 HN PHE 58 -4.025 1.937 -4.952 427 HA PHE 58 HA PHE 58 -4.425 4.527 -3.717 428 HB2 PHE 58 HB2 PHE 58 -3.587 2.568 -2.507 429 HB3 PHE 58 HB3 PHE 58 -2.179 2.472 -3.554 430 HD1 PHE 58 HD2 PHE 58 -3.895 4.944 -1.303 431 HD2 PHE 58 HD1 PHE 58 -0.163 3.385 -2.790 432 HE1 PHE 58 HE2 PHE 58 -2.651 6.468 0.219 433 HE2 PHE 58 HE1 PHE 58 1.061 4.878 -1.252 434 HZ PHE 58 HZ PHE 58 -0.150 6.449 0.213 435 H LYS 59 HN LYS 59 -2.456 3.372 -6.343 436 HA LYS 59 HA LYS 59 -1.133 6.016 -6.581 437 HB2 LYS 59 HB2 LYS 59 0.055 3.712 -6.561 438 HB3 LYS 59 HB3 LYS 59 -0.618 3.496 -8.175 439 HG2 LYS 59 HG2 LYS 59 1.691 4.263 -8.166 440 HG3 LYS 59 HG3 LYS 59 0.631 5.382 -9.004 441 HD2 LYS 59 HD2 LYS 59 2.417 6.437 -7.615 442 HD3 LYS 59 HD3 LYS 59 0.797 7.012 -7.348 443 HE2 LYS 59 HE2 LYS 59 1.831 4.929 -5.450 444 HE3 LYS 59 HE3 LYS 59 2.506 6.550 -5.392 445 HZ1 LYS 59 HZ1 LYS 59 -0.324 5.909 -4.905 446 HZ2 LYS 59 HZ2 LYS 59 0.252 7.418 -5.198 447 HZ3 LYS 59 HZ3 LYS 59 0.817 6.583 -3.905 448 H ASP 60 HN ASP 60 -3.631 4.278 -8.113 449 HA ASP 60 HA ASP 60 -4.096 6.393 -10.126 450 HB2 ASP 60 HB2 ASP 60 -4.847 3.925 -10.343 451 HB3 ASP 60 HB3 ASP 60 -6.098 4.307 -9.169 452 H SER 61 HN SER 61 -3.600 7.772 -8.058 453 HA SER 61 HA SER 61 -6.053 9.121 -7.460 454 HB2 SER 61 HB2 SER 61 -4.546 7.752 -5.171 455 HB3 SER 61 HB3 SER 61 -5.586 9.173 -4.936 456 HG SER 61 HG SER 61 -6.406 6.721 -6.125 457 H ASP 62 HN ASP 62 -5.469 11.199 -6.191 458 HA ASP 62 HA ASP 62 -2.740 12.115 -6.802 459 HB2 ASP 62 HB2 ASP 62 -4.533 13.292 -8.116 460 HB3 ASP 62 HB3 ASP 62 -5.266 13.809 -6.584 461 H LEU 63 HN LEU 63 -1.778 12.572 -5.117 462 HA LEU 63 HA LEU 63 -2.964 12.448 -2.354 463 HB2 LEU 63 HB2 LEU 63 -0.216 11.644 -3.374 464 HB3 LEU 63 HB3 LEU 63 -0.775 11.498 -1.712 465 HG LEU 63 HG LEU 63 -2.264 10.025 -3.911 466 HD11 LEU 63 HD11 LEU 63 -0.216 9.207 -4.422 467 HD12 LEU 63 HD12 LEU 63 -0.639 8.087 -3.097 468 HD13 LEU 63 HD13 LEU 63 0.498 9.465 -2.870 469 HD21 LEU 63 HD21 LEU 63 -2.793 8.462 -2.122 470 HD22 LEU 63 HD22 LEU 63 -3.265 10.087 -1.656 471 HD23 LEU 63 HD23 LEU 63 -1.789 9.366 -0.963 472 H SER 64 HN SER 64 -2.889 14.925 -3.775 473 HA SER 64 HA SER 64 -0.630 16.501 -3.305 474 HB2 SER 64 HB2 SER 64 -3.577 17.199 -3.448 475 HB3 SER 64 HB3 SER 64 -2.297 18.414 -3.260 476 HG SER 64 HG SER 64 -2.572 16.501 -5.367 477 H HIS 65 HN HIS 65 0.338 16.143 -1.438 478 HA HIS 65 HA HIS 65 0.978 16.276 0.691 479 HB2 HIS 65 HB2 HIS 65 -0.680 18.795 0.833 480 HB3 HIS 65 HB3 HIS 65 0.827 18.441 1.679 481 HD1 HIS 65 HD1 HIS 65 -0.117 20.689 -0.829 482 HD2 HIS 65 HD2 HIS 65 2.694 17.540 -0.753 483 HE1 HIS 65 HE1 HIS 65 1.608 21.227 -2.619 484 H VAL 66 HN VAL 66 -1.201 14.585 0.372 485 HA VAL 66 HA VAL 66 -3.022 14.784 2.607 486 HB VAL 66 HB VAL 66 -3.601 13.289 0.821 487 HG11 VAL 66 HG11 VAL 66 -2.338 11.291 0.234 488 HG12 VAL 66 HG12 VAL 66 -1.827 12.840 -0.347 489 HG13 VAL 66 HG13 VAL 66 -0.890 12.099 0.937 490 HG21 VAL 66 HG21 VAL 66 -3.957 11.194 2.020 491 HG22 VAL 66 HG22 VAL 66 -2.523 11.436 3.026 492 HG23 VAL 66 HG23 VAL 66 -3.944 12.454 3.262 493 H GLN 67 HN GLN 67 -2.220 15.006 4.680 494 HA GLN 67 HA GLN 67 0.325 13.828 5.512 495 HB2 GLN 67 HB2 GLN 67 -0.464 15.749 6.659 496 HB3 GLN 67 HB3 GLN 67 -2.046 15.042 6.966 497 HG2 GLN 67 HG2 GLN 67 0.402 13.670 8.075 498 HG3 GLN 67 HG3 GLN 67 -0.154 15.166 8.844 499 HE21 GLN 67 HE21 GLN 67 -0.558 11.791 8.955 500 HE22 GLN 67 HE22 GLN 67 -2.120 11.825 9.793 501 H ASN 68 HN ASN 68 -3.099 12.877 5.579 502 HA ASN 68 HA ASN 68 -2.686 10.588 7.296 503 HB2 ASN 68 HB2 ASN 68 -5.047 11.716 5.744 504 HB3 ASN 68 HB3 ASN 68 -5.176 10.190 6.599 505 HD21 ASN 68 HD21 ASN 68 -4.436 10.191 9.012 506 HD22 ASN 68 HD22 ASN 68 -5.056 11.619 9.845 507 H LYS 69 HN LYS 69 -0.913 10.086 5.386 508 HA LYS 69 HA LYS 69 -1.654 8.685 3.075 509 HB2 LYS 69 HB2 LYS 69 0.678 8.011 4.946 510 HB3 LYS 69 HB3 LYS 69 0.533 7.551 3.262 511 HG2 LYS 69 HG2 LYS 69 0.946 10.316 4.416 512 HG3 LYS 69 HG3 LYS 69 2.044 9.286 3.504 513 HD2 LYS 69 HD2 LYS 69 0.377 9.427 1.586 514 HD3 LYS 69 HD3 LYS 69 -0.377 10.719 2.481 515 HE2 LYS 69 HE2 LYS 69 2.427 10.614 1.265 516 HE3 LYS 69 HE3 LYS 69 1.144 11.768 0.899 517 HZ1 LYS 69 HZ1 LYS 69 1.480 12.733 3.067 518 HZ2 LYS 69 HZ2 LYS 69 2.873 12.747 2.227 519 HZ3 LYS 69 HZ3 LYS 69 2.689 11.630 3.416 520 H SER 70 HN SER 70 -1.556 7.464 6.403 521 HA SER 70 HA SER 70 -1.826 4.664 5.751 522 HB2 SER 70 HB2 SER 70 -2.567 4.630 8.248 523 HB3 SER 70 HB3 SER 70 -0.904 5.018 7.849 524 HG SER 70 HG SER 70 -1.602 6.458 9.306 525 H ALA 71 HN ALA 71 -4.141 7.176 6.963 526 HA ALA 71 HA ALA 71 -6.355 5.423 6.858 527 HB1 ALA 71 HB1 ALA 71 -6.452 8.444 6.531 528 HB2 ALA 71 HB2 ALA 71 -7.761 7.388 7.064 529 HB3 ALA 71 HB3 ALA 71 -6.340 7.605 8.100 530 H PHE 72 HN PHE 72 -4.942 7.564 4.373 531 HA PHE 72 HA PHE 72 -7.032 7.239 2.458 532 HB2 PHE 72 HB2 PHE 72 -5.052 8.870 2.481 533 HB3 PHE 72 HB3 PHE 72 -4.073 7.579 1.811 534 HD1 PHE 72 HD1 PHE 72 -5.419 6.377 -0.399 535 HD2 PHE 72 HD2 PHE 72 -5.764 10.467 0.960 536 HE1 PHE 72 HE1 PHE 72 -6.126 7.085 -2.655 537 HE2 PHE 72 HE2 PHE 72 -6.367 11.157 -1.301 538 HZ PHE 72 HZ PHE 72 -6.654 9.475 -3.109 539 H LEU 73 HN LEU 73 -4.041 5.380 3.017 540 HA LEU 73 HA LEU 73 -4.329 3.554 0.805 541 HB2 LEU 73 HB2 LEU 73 -2.217 3.975 2.002 542 HB3 LEU 73 HB3 LEU 73 -2.873 3.272 3.475 543 HG LEU 73 HG LEU 73 -3.174 1.100 2.087 544 HD11 LEU 73 HD11 LEU 73 -2.860 2.076 -0.150 545 HD12 LEU 73 HD12 LEU 73 -1.614 0.857 0.177 546 HD13 LEU 73 HD13 LEU 73 -1.211 2.583 0.309 547 HD21 LEU 73 HD21 LEU 73 -1.517 1.298 3.828 548 HD22 LEU 73 HD22 LEU 73 -0.405 2.155 2.728 549 HD23 LEU 73 HD23 LEU 73 -0.810 0.448 2.444 550 H CYS 74 HN CYS 74 -5.039 3.315 4.258 551 HA CYS 74 HA CYS 74 -6.096 0.689 4.181 552 HB2 CYS 74 HB2 CYS 74 -5.149 2.067 6.148 553 HB3 CYS 74 HB3 CYS 74 -6.757 2.773 6.272 554 HG CYS 74 HG CYS 74 -5.720 -0.386 6.486 555 H GLY 75 HN GLY 75 -7.517 3.802 3.403 556 HA2 GLY 75 HA1 GLY 75 -10.288 3.056 3.368 557 HA3 GLY 75 HA2 GLY 75 -9.515 4.426 2.550 558 H VAL 76 HN VAL 76 -7.823 3.418 0.714 559 HA VAL 76 HA VAL 76 -9.390 2.278 -1.312 560 HB VAL 76 HB VAL 76 -6.362 2.139 -0.975 561 HG11 VAL 76 HG11 VAL 76 -6.287 1.860 -3.420 562 HG12 VAL 76 HG12 VAL 76 -7.020 0.478 -2.609 563 HG13 VAL 76 HG13 VAL 76 -8.058 1.659 -3.443 564 HG21 VAL 76 HG21 VAL 76 -6.368 4.087 -2.514 565 HG22 VAL 76 HG22 VAL 76 -8.137 4.085 -2.536 566 HG23 VAL 76 HG23 VAL 76 -7.264 4.477 -1.048 567 H MET 77 HN MET 77 -7.152 0.606 0.962 568 HA MET 77 HA MET 77 -7.583 -2.082 0.275 569 HB2 MET 77 HB2 MET 77 -7.338 -0.780 3.000 570 HB3 MET 77 HB3 MET 77 -7.387 -2.519 2.779 571 HG2 MET 77 HG2 MET 77 -5.334 -2.542 1.620 572 HG3 MET 77 HG3 MET 77 -5.331 -0.780 1.403 573 HE1 MET 77 HE1 MET 77 -2.900 -1.060 2.104 574 HE2 MET 77 HE2 MET 77 -2.350 -1.365 3.768 575 HE3 MET 77 HE3 MET 77 -2.938 -2.715 2.759 576 H LYS 78 HN LYS 78 -9.592 -0.083 2.528 577 HA LYS 78 HA LYS 78 -11.336 -2.271 3.114 578 HB2 LYS 78 HB2 LYS 78 -11.112 0.020 4.402 579 HB3 LYS 78 HB3 LYS 78 -12.301 0.583 3.236 580 HG2 LYS 78 HG2 LYS 78 -13.344 -1.907 4.062 581 HG3 LYS 78 HG3 LYS 78 -12.579 -1.315 5.529 582 HD2 LYS 78 HD2 LYS 78 -14.588 0.202 3.831 583 HD3 LYS 78 HD3 LYS 78 -15.026 -0.744 5.236 584 HE2 LYS 78 HE2 LYS 78 -13.027 1.568 5.399 585 HE3 LYS 78 HE3 LYS 78 -14.785 1.804 5.482 586 HZ1 LYS 78 HZ1 LYS 78 -14.825 0.250 7.335 587 HZ2 LYS 78 HZ2 LYS 78 -14.055 1.649 7.646 588 HZ3 LYS 78 HZ3 LYS 78 -13.176 0.253 7.429 589 H THR 79 HN THR 79 -11.505 0.378 0.694 590 HA THR 79 HA THR 79 -14.030 -0.338 -0.297 591 HB THR 79 HB THR 79 -11.858 0.907 -2.017 592 HG1 THR 79 HG1 THR 79 -11.719 2.137 -0.201 593 HG21 THR 79 HG21 THR 79 -14.888 1.261 -1.686 594 HG22 THR 79 HG22 THR 79 -14.045 0.510 -3.058 595 HG23 THR 79 HG23 THR 79 -13.851 2.238 -2.756 596 H TYR 80 HN TYR 80 -10.791 -1.701 -1.170 597 HA TYR 80 HA TYR 80 -11.805 -3.248 -3.348 598 HB2 TYR 80 HB2 TYR 80 -9.336 -3.319 -1.633 599 HB3 TYR 80 HB3 TYR 80 -9.752 -4.786 -2.500 600 HD1 TYR 80 HD2 TYR 80 -10.158 -4.758 -4.978 601 HD2 TYR 80 HD1 TYR 80 -8.510 -1.392 -2.856 602 HE1 TYR 80 HE2 TYR 80 -9.305 -3.879 -7.094 603 HE2 TYR 80 HE1 TYR 80 -7.659 -0.467 -4.980 604 HH TYR 80 HH TYR 80 -8.471 -2.006 -8.146 605 H ARG 81 HN ARG 81 -11.601 -4.008 0.185 606 HA ARG 81 HA ARG 81 -12.660 -6.675 -0.288 607 HB2 ARG 81 HB2 ARG 81 -12.586 -6.970 2.087 608 HB3 ARG 81 HB3 ARG 81 -11.016 -6.479 1.440 609 HG2 ARG 81 HG2 ARG 81 -11.264 -4.287 2.217 610 HG3 ARG 81 HG3 ARG 81 -12.998 -4.491 2.463 611 HD2 ARG 81 HD2 ARG 81 -11.924 -4.282 4.585 612 HD3 ARG 81 HD3 ARG 81 -12.645 -5.888 4.397 613 HE ARG 81 HE ARG 81 -10.071 -6.367 3.650 614 HH11 ARG 81 HH11 ARG 81 -11.689 -5.103 6.524 615 HH12 ARG 81 HH12 ARG 81 -10.564 -5.865 7.626 616 HH21 ARG 81 HH21 ARG 81 -8.681 -7.348 5.043 617 HH22 ARG 81 HH22 ARG 81 -8.901 -7.387 6.771 618 H GLN 82 HN GLN 82 -14.067 -3.559 0.142 619 HA GLN 82 HA GLN 82 -16.741 -4.715 0.456 620 HB2 GLN 82 HB2 GLN 82 -15.233 -2.902 2.323 621 HB3 GLN 82 HB3 GLN 82 -16.879 -2.448 1.973 622 HG2 GLN 82 HG2 GLN 82 -16.023 -5.200 2.991 623 HG3 GLN 82 HG3 GLN 82 -16.618 -3.891 4.012 624 HE21 GLN 82 HE21 GLN 82 -17.919 -6.544 3.669 625 HE22 GLN 82 HE22 GLN 82 -19.513 -6.186 2.969 626 H ARG 83 HN ARG 83 -17.098 -4.374 -1.649 627 HA ARG 83 HA ARG 83 -16.941 -1.609 -2.756 628 HB2 ARG 83 HB2 ARG 83 -16.525 -2.932 -5.005 629 HB3 ARG 83 HB3 ARG 83 -15.216 -2.624 -3.899 630 HG2 ARG 83 HG2 ARG 83 -15.405 -4.897 -2.941 631 HG3 ARG 83 HG3 ARG 83 -16.753 -5.243 -4.063 632 HD2 ARG 83 HD2 ARG 83 -15.240 -5.093 -5.949 633 HD3 ARG 83 HD3 ARG 83 -13.977 -4.408 -4.931 634 HE ARG 83 HE ARG 83 -13.522 -6.391 -3.939 635 HH11 ARG 83 HH11 ARG 83 -16.219 -6.872 -6.248 636 HH12 ARG 83 HH12 ARG 83 -16.261 -8.587 -6.071 637 HH21 ARG 83 HH21 ARG 83 -13.438 -8.706 -3.871 638 HH22 ARG 83 HH22 ARG 83 -14.777 -9.611 -4.517 639 H GLU 84 HN GLU 84 -19.149 -3.614 -1.726 640 HA GLU 84 HA GLU 84 -21.140 -3.779 -3.781 641 HB2 GLU 84 HB2 GLU 84 -21.167 -5.101 -1.699 642 HB3 GLU 84 HB3 GLU 84 -21.214 -3.604 -0.737 643 HG2 GLU 84 HG2 GLU 84 -23.430 -3.137 -1.971 644 HG3 GLU 84 HG3 GLU 84 -23.393 -4.827 -2.427 645 H LYS 85 HN LYS 85 -22.039 -2.096 -4.709 646 HA LYS 85 HA LYS 85 -22.721 0.354 -3.233 647 HB2 LYS 85 HB2 LYS 85 -20.570 0.592 -4.764 648 HB3 LYS 85 HB3 LYS 85 -21.723 0.541 -6.098 649 HG2 LYS 85 HG2 LYS 85 -21.541 2.553 -3.813 650 HG3 LYS 85 HG3 LYS 85 -21.252 2.822 -5.544 651 HD2 LYS 85 HD2 LYS 85 -23.758 2.173 -5.870 652 HD3 LYS 85 HD3 LYS 85 -23.894 2.266 -4.112 653 HE2 LYS 85 HE2 LYS 85 -24.597 4.344 -4.753 654 HE3 LYS 85 HE3 LYS 85 -22.921 4.626 -4.279 655 HZ1 LYS 85 HZ1 LYS 85 -23.987 4.355 -7.014 656 HZ2 LYS 85 HZ2 LYS 85 -22.381 4.515 -6.697 657 HZ3 LYS 85 HZ3 LYS 85 -23.405 5.741 -6.305
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