REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1o2u_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQR DATA SEQUENCE LXXGEDNINV VEGNEQFISA SKSIVHPSYN SNTLNNDIML IKLKSAASLN DATA SEQUENCE SRVASISLPT XScASXAGTQ cLISGWGNTK SSGTSYPDVL KcLKAPILSD DATA SEQUENCE SScKSAYPGQ ITSNMFcAYL EGKDScQGDS GGPVVcSGKX XXXLQGIVSW DATA SEQUENCE GSXGcQKNKP GVYTKVcNYV SWIKQTIASN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 16 I HA 0.000 4.191 4.170 0.035 0.000 0.288 16 I C 0.000 176.115 176.117 -0.004 0.000 1.063 16 I CA 0.000 61.304 61.300 0.006 0.000 1.566 16 I CB 0.000 37.967 38.000 -0.055 0.000 1.214 17 V N 5.484 125.406 119.914 0.013 0.000 2.435 17 V HA 0.268 4.524 4.120 -0.009 -0.142 0.290 17 V C 0.549 176.649 176.094 0.008 0.000 1.030 17 V CA -1.662 60.642 62.300 0.006 0.000 0.881 17 V CB 1.173 33.005 31.823 0.016 0.000 0.983 17 V HN 0.847 9.058 8.190 0.035 0.000 0.445 18 G N 6.844 115.643 108.800 -0.002 0.000 2.160 18 G HA2 -0.396 3.559 3.960 -0.007 0.000 0.251 18 G HA3 -0.396 3.719 3.960 -0.019 -0.167 0.251 18 G C -0.725 174.184 174.900 0.015 0.000 1.008 18 G CA 0.477 45.574 45.100 -0.005 0.000 0.724 18 G HN 0.766 9.052 8.290 -0.007 0.000 0.514 19 G N -1.315 107.490 108.800 0.008 0.000 2.671 19 G HA2 0.515 4.509 3.960 0.063 0.000 0.275 19 G HA3 0.515 4.483 3.960 -0.102 -0.070 0.275 19 G C -1.743 173.189 174.900 0.053 0.000 1.368 19 G CA -1.110 43.987 45.100 -0.005 0.000 1.044 19 G HN -0.683 7.571 8.290 -0.009 0.031 0.543 20 Y N -6.170 114.112 120.300 -0.030 0.000 2.605 20 Y HA 0.395 4.928 4.550 -0.027 0.000 0.343 20 Y C -1.712 174.162 175.900 -0.043 0.000 1.036 20 Y CA -2.907 55.174 58.100 -0.031 0.000 1.065 20 Y CB 1.197 39.642 38.460 -0.026 0.000 1.288 20 Y HN 0.394 8.222 8.280 -0.575 0.106 0.481 21 T N 2.467 117.072 114.554 0.085 0.000 2.853 21 T HA 0.052 4.475 4.350 -0.090 -0.127 0.298 21 T C 0.155 174.880 174.700 0.042 0.000 0.978 21 T CA 1.268 63.370 62.100 0.003 0.000 1.152 21 T CB -0.076 68.820 68.868 0.047 0.000 0.914 21 T HN 0.031 8.374 8.240 0.171 0.000 0.539 22 c N 6.303 124.838 118.600 -0.109 0.000 2.429 22 c HA -0.092 4.482 4.570 0.008 0.000 0.277 22 c C 0.190 174.299 174.090 0.032 0.000 1.262 22 c CA 0.815 57.109 56.329 -0.059 0.000 1.733 22 c CB 0.273 42.677 42.510 -0.176 0.000 2.010 22 c HN 0.181 8.298 8.230 -0.188 0.000 0.483 23 G N -1.972 106.829 108.800 0.002 0.000 2.885 23 G HA2 -0.170 3.805 3.960 0.025 0.000 0.685 23 G HA3 -0.170 3.807 3.960 0.029 0.000 0.685 23 G C -1.880 173.020 174.900 0.000 0.000 1.216 23 G CA -0.807 44.303 45.100 0.018 0.000 0.790 23 G HN -0.371 7.903 8.290 -0.027 0.000 0.631 24 A N 3.574 126.403 122.820 0.015 0.000 2.567 24 A HA -0.212 4.289 4.320 0.029 -0.164 0.240 24 A C -0.305 177.284 177.584 0.009 0.000 1.053 24 A CA 0.996 53.046 52.037 0.021 0.000 0.755 24 A CB 0.034 19.053 19.000 0.033 0.000 0.978 24 A HN 0.323 8.486 8.150 0.022 0.000 0.507 25 N N -2.615 116.088 118.700 0.005 0.000 2.708 25 N HA -0.375 4.356 4.740 -0.015 0.000 0.249 25 N C 0.348 175.838 175.510 -0.034 0.000 1.097 25 N CA 1.644 54.688 53.050 -0.010 0.000 0.710 25 N CB -1.105 37.387 38.487 0.009 0.000 1.032 25 N HN 0.557 8.948 8.380 0.020 0.000 0.551 26 T N -3.797 110.727 114.554 -0.050 0.000 3.100 26 T HA 0.038 4.376 4.350 -0.019 0.000 0.253 26 T C -0.057 174.584 174.700 -0.098 0.000 1.118 26 T CA 1.888 63.963 62.100 -0.043 0.000 1.058 26 T CB 0.480 69.338 68.868 -0.016 0.000 0.953 26 T HN -0.483 7.693 8.240 -0.054 0.032 0.515 27 V N 2.427 122.222 119.914 -0.200 0.000 2.320 27 V HA 0.379 4.215 4.120 -0.473 0.000 0.257 27 V C -1.555 174.227 176.094 -0.520 0.000 0.996 27 V CA -3.283 58.739 62.300 -0.465 0.000 0.928 27 V CB 0.646 32.179 31.823 -0.483 0.000 1.169 27 V HN -0.511 7.508 8.190 -0.165 0.072 0.475 28 P HA 0.079 4.541 4.420 -0.087 -0.095 0.226 28 P C 0.106 177.366 177.300 -0.068 0.000 1.153 28 P CA 1.535 64.562 63.100 -0.121 0.000 0.777 28 P CB 0.132 31.832 31.700 0.001 0.000 0.794 29 Y N -6.005 114.320 120.300 0.042 0.000 2.466 29 Y HA 0.487 5.218 4.550 0.056 -0.148 0.272 29 Y C -0.527 175.410 175.900 0.062 0.000 1.169 29 Y CA -3.166 54.964 58.100 0.051 0.000 1.285 29 Y CB -1.263 37.223 38.460 0.043 0.000 1.078 29 Y HN -0.398 7.326 8.280 -0.839 0.052 0.523 30 Q N 2.742 122.428 119.800 -0.189 0.000 2.313 30 Q HA 0.207 4.745 4.340 0.103 -0.136 0.266 30 Q C -0.283 175.803 176.000 0.144 0.000 0.989 30 Q CA 0.159 55.952 55.803 -0.017 0.000 0.890 30 Q CB 1.119 29.744 28.738 -0.189 0.000 1.200 30 Q HN -0.628 7.184 8.270 -0.488 0.165 0.396 31 V N 0.843 120.880 119.914 0.204 0.000 3.074 31 V HA 0.821 5.175 4.120 0.202 -0.113 0.314 31 V C -2.019 174.228 176.094 0.254 0.000 1.117 31 V CA -2.835 59.581 62.300 0.193 0.000 1.014 31 V CB 4.037 35.919 31.823 0.099 0.000 1.057 31 V HN 0.347 8.654 8.190 0.194 0.000 0.438 32 S N 0.512 116.263 115.700 0.086 0.000 2.473 32 S HA 0.494 5.188 4.470 0.178 -0.118 0.307 32 S C -1.147 173.328 174.600 -0.207 0.000 1.094 32 S CA -2.222 55.959 58.200 -0.032 0.000 1.070 32 S CB 1.775 64.743 63.200 -0.387 0.000 1.019 32 S HN 0.086 8.407 8.310 0.018 0.000 0.480 33 L N 7.291 128.264 121.223 -0.417 0.000 2.272 33 L HA 0.531 4.774 4.340 -0.378 -0.129 0.289 33 L C -1.608 174.810 176.870 -0.753 0.000 1.032 33 L CA -0.832 53.628 54.840 -0.633 0.000 0.810 33 L CB 0.910 42.367 42.059 -1.004 0.000 1.205 33 L HN 0.848 8.798 8.230 -0.467 0.000 0.422 38 G N 0.609 109.301 108.800 -0.180 0.000 2.179 38 G HA2 -0.328 3.614 3.960 -0.030 0.000 0.220 38 G HA3 -0.328 3.680 3.960 0.079 0.000 0.220 38 G C -1.904 173.083 174.900 0.146 0.000 0.990 38 G CA 0.189 45.290 45.100 0.002 0.000 0.646 38 G HN 0.256 8.698 8.290 -0.206 -0.275 0.517 39 Y N -7.544 112.728 120.300 -0.046 0.000 2.717 39 Y HA 0.174 4.687 4.550 -0.062 0.000 0.345 39 Y C -2.495 173.404 175.900 -0.002 0.000 1.187 39 Y CA -3.403 54.673 58.100 -0.039 0.000 1.128 39 Y CB 0.684 39.120 38.460 -0.040 0.000 1.360 39 Y HN -1.254 6.839 8.280 -0.353 -0.025 0.467 40 H N 3.005 122.039 119.070 -0.059 0.000 2.848 40 H HA -0.019 4.502 4.556 -0.312 -0.153 0.317 40 H C -0.447 174.873 175.328 -0.014 0.000 1.046 40 H CA -0.116 55.824 56.048 -0.181 0.000 1.470 40 H CB 0.273 29.898 29.762 -0.227 0.000 1.483 40 H HN 0.354 8.742 8.280 0.180 0.000 0.548 41 F N 3.137 122.617 119.950 -0.784 0.000 2.819 41 F HA 0.271 4.670 4.527 -0.213 0.000 0.325 41 F C -2.061 173.471 175.800 -0.446 0.000 1.041 41 F CA -1.166 56.569 58.000 -0.442 0.000 1.184 41 F CB 1.466 40.282 39.000 -0.308 0.000 1.019 41 F HN 0.119 7.725 8.300 -1.157 0.000 0.590 42 c N -1.677 116.238 118.600 -1.141 0.000 3.321 42 c HA 0.387 4.915 4.570 -0.224 -0.093 0.329 42 c C -1.675 172.203 174.090 -0.354 0.000 1.394 42 c CA -0.263 55.738 56.329 -0.548 0.000 1.291 42 c CB 4.053 46.288 42.510 -0.458 0.000 1.606 42 c HN -0.775 6.487 8.230 -1.613 0.000 0.463 43 G N -1.052 107.726 108.800 -0.037 0.000 2.705 43 G HA2 0.819 5.067 3.960 0.221 0.000 0.299 43 G HA3 0.819 4.900 3.960 0.203 0.000 0.299 43 G C -2.513 172.404 174.900 0.027 0.000 1.315 43 G CA -1.671 43.505 45.100 0.126 0.000 1.045 43 G HN 0.833 9.109 8.290 -0.023 0.000 0.517 44 G N -4.013 104.841 108.800 0.090 0.000 2.506 44 G HA2 0.492 4.783 3.960 0.069 0.000 0.292 44 G HA3 0.492 4.481 3.960 0.048 0.000 0.292 44 G C -2.938 172.045 174.900 0.139 0.000 1.425 44 G CA 0.396 45.543 45.100 0.079 0.000 0.788 44 G HN -0.603 7.776 8.290 0.149 0.000 0.490 45 S N -0.475 115.311 115.700 0.143 0.000 2.532 45 S HA 0.810 5.643 4.470 0.266 -0.204 0.299 45 S C -1.282 173.418 174.600 0.166 0.000 1.105 45 S CA -0.890 57.427 58.200 0.195 0.000 1.018 45 S CB 3.725 67.023 63.200 0.164 0.000 1.021 45 S HN 0.459 8.840 8.310 0.118 0.000 0.483 46 L N 6.337 127.676 121.223 0.192 0.000 2.313 46 L HA 0.152 4.694 4.340 0.145 -0.116 0.282 46 L C -0.667 176.286 176.870 0.139 0.000 1.092 46 L CA -0.073 54.862 54.840 0.158 0.000 0.831 46 L CB 0.926 43.078 42.059 0.155 0.000 1.159 46 L HN 0.502 8.775 8.230 0.253 0.108 0.442 47 I N 0.446 121.095 120.570 0.133 0.000 4.070 47 I HA 0.522 4.884 4.170 0.067 -0.152 0.328 47 I C -1.007 175.169 176.117 0.098 0.000 1.298 47 I CA -0.651 60.706 61.300 0.094 0.000 1.173 47 I CB 0.858 38.904 38.000 0.077 0.000 1.051 47 I HN 0.329 8.636 8.210 0.161 0.000 0.409 48 N N -1.942 116.840 118.700 0.137 0.000 3.116 48 N HA 0.146 4.944 4.740 0.097 0.000 0.244 48 N C -0.318 175.272 175.510 0.133 0.000 1.485 48 N CA -0.441 52.687 53.050 0.130 0.000 0.884 48 N CB 0.745 39.320 38.487 0.148 0.000 1.415 48 N HN -0.872 7.606 8.380 0.163 0.000 0.524 49 S N -3.289 112.476 115.700 0.107 0.000 2.500 49 S HA -0.342 4.169 4.470 0.069 0.000 0.239 49 S C 0.794 175.426 174.600 0.053 0.000 0.989 49 S CA 2.798 61.042 58.200 0.075 0.000 0.951 49 S CB -0.141 63.092 63.200 0.055 0.000 0.759 49 S HN 0.404 8.774 8.310 0.100 0.000 0.523 50 Q N -0.661 119.186 119.800 0.078 0.000 2.164 50 Q HA 0.340 4.619 4.340 -0.102 0.000 0.226 50 Q C -2.100 173.754 176.000 -0.242 0.000 0.813 50 Q CA -0.442 55.309 55.803 -0.087 0.000 0.978 50 Q CB 2.656 31.320 28.738 -0.124 0.000 1.149 50 Q HN 0.135 8.808 8.270 0.174 -0.299 0.489 51 W N -2.145 119.160 121.300 0.009 0.000 2.915 51 W HA 0.700 5.562 4.660 0.005 -0.199 0.337 51 W C -1.533 174.998 176.519 0.020 0.000 1.102 51 W CA -1.119 56.230 57.345 0.007 0.000 1.224 51 W CB 3.852 33.306 29.460 -0.009 0.000 1.416 51 W HN -0.384 8.054 8.180 0.246 -0.110 0.503 52 V N 1.486 121.556 119.914 0.261 0.000 2.680 52 V HA 0.760 5.162 4.120 0.166 -0.182 0.309 52 V C -1.450 174.756 176.094 0.187 0.000 1.052 52 V CA -1.640 60.765 62.300 0.175 0.000 0.908 52 V CB 3.601 35.483 31.823 0.099 0.000 1.001 52 V HN 0.878 9.234 8.190 0.278 0.000 0.431 53 V N 6.283 126.285 119.914 0.146 0.000 2.513 53 V HA 0.737 5.114 4.120 0.154 -0.164 0.299 53 V C -1.244 174.905 176.094 0.092 0.000 1.035 53 V CA -1.205 61.173 62.300 0.131 0.000 0.889 53 V CB 2.072 33.965 31.823 0.117 0.000 0.988 53 V HN 0.643 8.914 8.190 0.135 0.000 0.440 54 S N 4.115 119.857 115.700 0.069 0.000 2.880 54 S HA 0.563 5.257 4.470 0.026 -0.209 0.308 54 S C -2.030 172.558 174.600 -0.020 0.000 1.195 54 S CA -2.507 55.704 58.200 0.018 0.000 0.866 54 S CB 2.475 65.669 63.200 -0.010 0.000 1.254 54 S HN 0.685 9.047 8.310 0.086 0.000 0.571 55 A N -0.697 122.068 122.820 -0.092 0.000 2.312 55 A HA 0.473 4.882 4.320 -0.106 -0.153 0.326 55 A C 0.400 177.853 177.584 -0.218 0.000 1.172 55 A CA -1.727 50.215 52.037 -0.158 0.000 0.821 55 A CB 1.668 20.520 19.000 -0.245 0.000 1.166 55 A HN 0.291 8.372 8.150 -0.114 0.000 0.493 56 A N 4.864 127.507 122.820 -0.296 0.000 1.972 56 A HA -0.253 3.920 4.320 -0.245 0.000 0.219 56 A C 1.297 178.646 177.584 -0.392 0.000 1.169 56 A CA 2.868 54.618 52.037 -0.479 0.000 0.635 56 A CB -0.328 17.975 19.000 -1.161 0.000 0.810 56 A HN 0.607 8.623 8.150 -0.274 -0.031 0.446 57 H N -4.822 114.086 119.070 -0.270 0.000 2.563 57 H HA -0.082 4.506 4.556 0.054 0.000 0.272 57 H C 0.166 175.543 175.328 0.081 0.000 1.005 57 H CA 1.406 57.456 56.048 0.004 0.000 1.171 57 H CB -1.258 28.577 29.762 0.122 0.000 1.351 57 H HN -0.034 8.418 8.280 -0.203 -0.294 0.602 58 c N -1.240 117.245 118.600 -0.192 0.000 2.697 58 c HA -0.030 4.593 4.570 0.089 0.000 0.267 58 c C -0.947 173.219 174.090 0.127 0.000 1.278 58 c CA 0.224 56.550 56.329 -0.005 0.000 1.708 58 c CB -1.417 41.043 42.510 -0.082 0.000 1.860 58 c HN -0.597 7.276 8.230 -0.266 0.197 0.589 59 Y N 2.404 122.702 120.300 -0.004 0.000 2.578 59 Y HA -0.174 4.396 4.550 0.034 0.000 0.339 59 Y C -1.536 174.354 175.900 -0.017 0.000 1.231 59 Y CA 1.492 59.597 58.100 0.009 0.000 1.461 59 Y CB 1.068 39.518 38.460 -0.016 0.000 1.323 59 Y HN -0.362 7.826 8.280 0.148 0.181 0.590 60 K N 5.171 124.797 120.400 -1.290 0.000 2.772 60 K HA 0.174 4.032 4.320 -0.770 0.000 0.292 60 K C -2.520 173.559 176.600 -0.869 0.000 1.049 60 K CA -1.032 54.707 56.287 -0.913 0.000 0.846 60 K CB 1.996 34.149 32.500 -0.578 0.000 1.514 60 K HN -0.033 7.290 8.250 -1.544 0.000 0.373 61 S N -0.699 114.715 115.700 -0.477 0.000 2.730 61 S HA 0.136 4.439 4.470 -0.278 0.000 0.284 61 S C 0.750 175.218 174.600 -0.220 0.000 1.153 61 S CA -0.519 57.518 58.200 -0.272 0.000 0.995 61 S CB 1.433 64.563 63.200 -0.116 0.000 1.058 61 S HN -0.165 7.929 8.310 -0.361 0.000 0.552 62 G N -0.353 108.361 108.800 -0.144 0.000 2.256 62 G HA2 -0.256 3.650 3.960 -0.090 0.000 0.272 62 G HA3 -0.256 3.627 3.960 -0.128 0.000 0.272 62 G C -1.426 173.401 174.900 -0.121 0.000 1.076 62 G CA 0.232 45.259 45.100 -0.121 0.000 0.882 62 G HN 0.303 8.525 8.290 -0.112 0.000 0.497 63 I N -1.205 119.306 120.570 -0.099 0.000 2.396 63 I HA 0.085 4.368 4.170 -0.006 -0.117 0.292 63 I C -1.613 174.463 176.117 -0.068 0.000 0.999 63 I CA -0.665 60.608 61.300 -0.046 0.000 1.310 63 I CB 0.790 38.784 38.000 -0.010 0.000 1.404 63 I HN -0.454 7.694 8.210 -0.103 0.000 0.496 64 Q N 6.934 126.679 119.800 -0.091 0.000 3.106 64 Q HA 0.541 4.927 4.340 -0.085 -0.097 0.247 64 Q C -1.699 174.213 176.000 -0.147 0.000 1.033 64 Q CA -1.975 53.757 55.803 -0.118 0.000 0.888 64 Q CB 4.353 32.990 28.738 -0.168 0.000 1.586 64 Q HN 0.467 8.685 8.270 -0.086 0.000 0.482 65 R N -2.461 117.980 120.500 -0.097 0.000 2.937 65 R HA 0.409 5.002 4.340 0.141 -0.168 0.273 65 R C -1.434 174.904 176.300 0.063 0.000 1.176 65 R CA 0.062 56.150 56.100 -0.020 0.000 1.132 65 R CB 2.444 32.595 30.300 -0.248 0.000 1.270 65 R HN 0.595 8.788 8.270 -0.129 0.000 0.425 70 E N -0.794 119.507 120.200 0.169 0.000 2.318 70 E HA 0.104 4.537 4.350 0.139 0.000 0.265 70 E C -1.625 175.172 176.600 0.329 0.000 1.069 70 E CA 0.520 57.035 56.400 0.192 0.000 0.893 70 E CB 1.554 31.291 29.700 0.062 0.000 1.076 70 E HN -0.578 7.858 8.360 0.188 0.037 0.414 71 D N 0.679 121.250 120.400 0.286 0.000 2.900 71 D HA 0.051 4.939 4.640 0.414 0.000 0.175 71 D C -1.194 175.314 176.300 0.346 0.000 1.476 71 D CA 1.457 55.647 54.000 0.316 0.000 1.488 71 D CB 2.464 43.353 40.800 0.149 0.000 1.426 71 D HN 0.174 8.652 8.370 0.181 0.000 0.295 72 N N 0.943 119.747 118.700 0.173 0.000 2.437 72 N HA 0.279 5.253 4.740 0.170 -0.132 0.243 72 N C 1.924 177.438 175.510 0.006 0.000 1.041 72 N CA -1.249 51.870 53.050 0.115 0.000 0.940 72 N CB 0.440 38.973 38.487 0.077 0.000 1.133 72 N HN -0.546 7.913 8.380 0.131 0.000 0.506 73 I N 0.949 121.437 120.570 -0.136 0.000 3.083 73 I HA -0.173 3.958 4.170 -0.282 -0.131 0.273 73 I C -0.515 175.519 176.117 -0.139 0.000 1.297 73 I CA 1.659 62.781 61.300 -0.296 0.000 1.452 73 I CB -0.831 36.761 38.000 -0.680 0.000 1.078 73 I HN 0.479 8.625 8.210 -0.107 0.000 0.484 74 N N -2.232 116.433 118.700 -0.057 0.000 2.254 74 N HA 0.133 4.857 4.740 -0.027 0.000 0.190 74 N C -0.638 174.879 175.510 0.011 0.000 1.107 74 N CA 0.879 53.919 53.050 -0.017 0.000 0.869 74 N CB 1.885 40.372 38.487 0.001 0.000 0.983 74 N HN -0.118 8.492 8.380 -0.035 -0.251 0.487 75 V N 0.302 120.229 119.914 0.021 0.000 2.588 75 V HA 0.039 4.178 4.120 0.032 0.000 0.304 75 V C -1.454 174.666 176.094 0.043 0.000 1.042 75 V CA -1.099 61.221 62.300 0.032 0.000 0.877 75 V CB 3.064 34.904 31.823 0.029 0.000 0.996 75 V HN -0.801 7.459 8.190 0.012 -0.063 0.425 76 V N 7.221 127.160 119.914 0.040 0.000 2.461 76 V HA -0.188 4.135 4.120 0.040 -0.179 0.275 76 V C 0.003 176.100 176.094 0.004 0.000 1.047 76 V CA 0.697 63.010 62.300 0.021 0.000 0.955 76 V CB 0.243 32.058 31.823 -0.014 0.000 0.988 76 V HN 0.259 8.470 8.190 0.035 0.000 0.471 77 E N 7.251 127.453 120.200 0.003 0.000 2.572 77 E HA 0.169 4.520 4.350 0.002 0.000 0.220 77 E C -0.482 176.113 176.600 -0.008 0.000 0.945 77 E CA -0.554 55.849 56.400 0.004 0.000 1.070 77 E CB 1.124 30.836 29.700 0.020 0.000 1.090 77 E HN 0.510 9.392 8.360 0.004 -0.519 0.506 78 G N 0.274 109.060 108.800 -0.024 0.000 2.576 78 G HA2 -0.229 3.697 3.960 -0.057 0.000 0.686 78 G HA3 -0.229 3.717 3.960 -0.024 0.000 0.686 78 G C -1.674 173.212 174.900 -0.024 0.000 1.242 78 G CA -0.671 44.408 45.100 -0.034 0.000 0.819 78 G HN -0.497 8.159 8.290 -0.031 -0.385 0.655 79 N N -4.051 114.629 118.700 -0.033 0.000 2.980 79 N HA -0.285 4.443 4.740 -0.020 0.000 0.213 79 N C -0.972 174.526 175.510 -0.020 0.000 0.892 79 N CA 1.360 54.400 53.050 -0.017 0.000 1.025 79 N CB -0.266 38.225 38.487 0.007 0.000 1.030 79 N HN 0.158 8.510 8.380 -0.047 0.000 0.585 80 E N -1.224 118.944 120.200 -0.053 0.000 2.383 80 E HA 0.177 4.766 4.350 0.038 -0.216 0.264 80 E C -0.021 176.499 176.600 -0.134 0.000 1.050 80 E CA 0.543 56.909 56.400 -0.056 0.000 0.896 80 E CB 0.512 30.140 29.700 -0.119 0.000 0.982 80 E HN -0.196 8.017 8.360 -0.070 0.104 0.424 81 Q N 3.111 122.905 119.800 -0.011 0.000 2.292 81 Q HA 0.324 4.594 4.340 -0.117 0.000 0.270 81 Q C -1.631 174.502 176.000 0.222 0.000 1.024 81 Q CA -1.257 54.543 55.803 -0.005 0.000 0.768 81 Q CB 3.517 32.270 28.738 0.025 0.000 1.250 81 Q HN 0.434 8.769 8.270 0.109 0.000 0.447 82 F N 3.635 123.565 119.950 -0.033 0.000 2.411 82 F HA 0.369 5.043 4.527 -0.049 -0.176 0.352 82 F C -0.001 175.774 175.800 -0.041 0.000 1.123 82 F CA -3.163 54.811 58.000 -0.043 0.000 1.044 82 F CB 0.652 39.626 39.000 -0.045 0.000 1.135 82 F HN 0.323 8.634 8.300 0.018 0.000 0.461 83 I N 4.000 124.646 120.570 0.127 0.000 2.533 83 I HA 0.237 4.434 4.170 0.046 0.000 0.290 83 I C -1.270 174.845 176.117 -0.003 0.000 1.056 83 I CA -1.348 59.978 61.300 0.043 0.000 1.057 83 I CB 4.141 42.150 38.000 0.016 0.000 1.240 83 I HN 0.824 9.095 8.210 0.101 0.000 0.423 84 S N 5.864 121.554 115.700 -0.016 0.000 2.585 84 S HA 0.043 4.596 4.470 -0.047 -0.111 0.273 84 S C -0.416 174.148 174.600 -0.060 0.000 1.339 84 S CA 0.906 59.082 58.200 -0.040 0.000 1.028 84 S CB 0.913 64.092 63.200 -0.036 0.000 0.906 84 S HN 0.440 8.747 8.310 -0.006 0.000 0.528 85 A N 3.035 125.816 122.820 -0.066 0.000 2.363 85 A HA 0.180 4.534 4.320 -0.104 -0.096 0.270 85 A C -0.506 177.028 177.584 -0.083 0.000 1.121 85 A CA -0.406 51.581 52.037 -0.082 0.000 0.800 85 A CB 0.781 19.743 19.000 -0.063 0.000 1.052 85 A HN -0.169 7.944 8.150 -0.062 0.000 0.493 86 S N 3.323 118.954 115.700 -0.115 0.000 2.387 86 S HA 0.036 4.464 4.470 -0.070 0.000 0.221 86 S C 0.500 175.059 174.600 -0.068 0.000 1.041 86 S CA 1.395 59.537 58.200 -0.097 0.000 0.959 86 S CB 0.906 64.026 63.200 -0.133 0.000 0.843 86 S HN 0.861 8.958 8.310 -0.163 0.115 0.488 87 K N -0.425 119.925 120.400 -0.083 0.000 2.536 87 K HA 0.317 4.655 4.320 0.029 0.000 0.269 87 K C -2.120 174.502 176.600 0.037 0.000 0.965 87 K CA -0.728 55.556 56.287 -0.005 0.000 0.860 87 K CB 3.242 35.749 32.500 0.011 0.000 1.423 87 K HN -0.692 7.468 8.250 -0.149 0.000 0.438 88 S N 1.082 116.861 115.700 0.133 0.000 2.532 88 S HA 0.780 5.527 4.470 0.171 -0.174 0.299 88 S C -0.791 173.935 174.600 0.210 0.000 1.105 88 S CA -0.462 57.861 58.200 0.204 0.000 1.018 88 S CB 2.272 65.670 63.200 0.330 0.000 1.021 88 S HN 0.192 8.594 8.310 0.152 0.000 0.483 89 I N 7.594 128.298 120.570 0.222 0.000 2.405 89 I HA 0.122 4.383 4.170 0.151 0.000 0.280 89 I C -1.587 174.678 176.117 0.247 0.000 1.027 89 I CA -0.813 60.613 61.300 0.211 0.000 1.161 89 I CB 1.550 39.685 38.000 0.224 0.000 1.300 89 I HN 1.091 9.341 8.210 0.249 0.109 0.463 90 V N 7.794 127.787 119.914 0.132 0.000 2.649 90 V HA -0.126 4.048 4.120 0.090 0.000 0.292 90 V C -0.244 175.936 176.094 0.144 0.000 1.055 90 V CA -0.670 61.676 62.300 0.077 0.000 1.023 90 V CB 0.984 32.757 31.823 -0.083 0.000 0.992 90 V HN 0.362 8.584 8.190 0.053 0.000 0.480 91 H N 8.310 127.360 119.070 -0.033 0.000 3.034 91 H HA -0.044 4.313 4.556 -0.332 0.000 0.324 91 H C -0.286 175.009 175.328 -0.054 0.000 1.015 91 H CA 0.241 56.136 56.048 -0.256 0.000 1.429 91 H CB 1.540 30.997 29.762 -0.508 0.000 1.429 91 H HN -0.155 8.165 8.280 0.066 0.000 0.585 92 P HA -0.089 4.349 4.420 0.030 0.000 0.219 92 P C -0.434 176.927 177.300 0.101 0.000 1.146 92 P CA 1.410 64.499 63.100 -0.018 0.000 0.808 92 P CB 0.334 32.000 31.700 -0.058 0.000 0.779 93 S N -3.660 112.211 115.700 0.286 0.000 2.582 93 S HA 0.040 4.572 4.470 0.105 0.000 0.234 93 S C -0.595 174.099 174.600 0.157 0.000 0.961 93 S CA 0.018 58.342 58.200 0.206 0.000 0.953 93 S CB 0.486 63.797 63.200 0.185 0.000 0.800 93 S HN -0.397 8.213 8.310 0.561 0.036 0.471 94 Y N 3.697 124.041 120.300 0.073 0.000 2.526 94 Y HA -0.278 4.442 4.550 -0.055 -0.203 0.330 94 Y C -0.860 175.031 175.900 -0.016 0.000 1.156 94 Y CA 0.713 58.809 58.100 -0.007 0.000 1.419 94 Y CB 0.838 39.302 38.460 0.006 0.000 1.250 94 Y HN -0.710 7.599 8.280 0.342 0.176 0.540 95 N N 7.282 125.627 118.700 -0.592 0.000 2.479 95 N HA 0.218 4.678 4.740 -0.467 0.000 0.261 95 N C -0.224 174.750 175.510 -0.895 0.000 0.979 95 N CA -1.252 51.455 53.050 -0.572 0.000 0.930 95 N CB 1.644 39.960 38.487 -0.285 0.000 1.172 95 N HN -0.224 7.921 8.380 -0.392 0.000 0.499 96 S N 6.176 121.340 115.700 -0.893 0.000 2.507 96 S HA -0.090 3.956 4.470 -0.706 0.000 0.235 96 S C 0.732 175.141 174.600 -0.319 0.000 0.988 96 S CA 2.190 60.034 58.200 -0.594 0.000 0.944 96 S CB -0.189 62.858 63.200 -0.254 0.000 0.762 96 S HN 0.626 8.520 8.310 -0.694 0.000 0.526 97 N N 1.783 120.303 118.700 -0.300 0.000 2.336 97 N HA 0.045 4.660 4.740 -0.209 0.000 0.177 97 N C 1.000 176.345 175.510 -0.274 0.000 1.018 97 N CA 2.254 55.164 53.050 -0.233 0.000 0.878 97 N CB 0.678 39.058 38.487 -0.178 0.000 0.997 97 N HN 0.371 8.810 8.380 -0.329 -0.257 0.433 98 T N -4.325 110.062 114.554 -0.279 0.000 3.022 98 T HA 0.089 4.231 4.350 -0.346 0.000 0.250 98 T C 0.130 174.634 174.700 -0.326 0.000 1.060 98 T CA 0.141 62.066 62.100 -0.292 0.000 1.013 98 T CB 1.663 70.417 68.868 -0.190 0.000 0.982 98 T HN -0.490 7.823 8.240 -0.279 -0.240 0.508 99 L N -3.441 117.625 121.223 -0.262 0.000 4.291 99 L HA -0.507 3.941 4.340 0.059 -0.073 0.413 99 L C -1.856 175.045 176.870 0.053 0.000 1.162 99 L CA 0.482 55.279 54.840 -0.072 0.000 0.961 99 L CB -2.625 39.324 42.059 -0.183 0.000 2.095 99 L HN -0.196 7.803 8.230 -0.301 0.051 0.838 100 N N -0.984 117.703 118.700 -0.021 0.000 2.518 100 N HA -0.154 4.634 4.740 0.080 0.000 0.266 100 N C 0.032 175.584 175.510 0.070 0.000 1.196 100 N CA 0.657 53.727 53.050 0.034 0.000 0.947 100 N CB 1.187 39.666 38.487 -0.014 0.000 1.098 100 N HN -0.744 7.523 8.380 -0.117 0.042 0.450 101 N N -0.802 117.932 118.700 0.057 0.000 2.758 101 N HA -0.472 4.189 4.740 -0.133 0.000 0.248 101 N C -1.416 174.062 175.510 -0.054 0.000 1.076 101 N CA 1.378 54.361 53.050 -0.112 0.000 0.696 101 N CB -1.556 36.736 38.487 -0.324 0.000 0.979 101 N HN 0.614 9.054 8.380 0.100 0.000 0.550 102 D N -0.996 119.420 120.400 0.027 0.000 2.551 102 D HA 0.040 4.663 4.640 -0.028 0.000 0.223 102 D C -1.663 174.543 176.300 -0.156 0.000 1.144 102 D CA -0.306 53.705 54.000 0.018 0.000 1.025 102 D CB -0.781 40.131 40.800 0.187 0.000 1.085 102 D HN -0.172 8.229 8.370 0.052 0.000 0.506 103 I N 2.296 122.713 120.570 -0.255 0.000 2.827 103 I HA 0.583 4.852 4.170 -0.129 -0.176 0.298 103 I C -3.081 173.000 176.117 -0.061 0.000 1.235 103 I CA -1.436 59.745 61.300 -0.198 0.000 1.021 103 I CB 4.161 41.916 38.000 -0.408 0.000 1.259 103 I HN -0.101 7.908 8.210 -0.268 0.040 0.427 104 M N 6.339 125.973 119.600 0.057 0.000 2.470 104 M HA 0.713 5.518 4.480 0.261 -0.169 0.285 104 M C -2.832 173.600 176.300 0.220 0.000 1.213 104 M CA -0.983 54.415 55.300 0.165 0.000 0.901 104 M CB 4.848 37.496 32.600 0.080 0.000 1.718 104 M HN 0.430 8.746 8.290 0.043 0.000 0.469 105 L N 2.938 124.329 121.223 0.280 0.000 2.334 105 L HA 0.880 5.553 4.340 0.261 -0.176 0.276 105 L C -1.324 175.735 176.870 0.315 0.000 1.014 105 L CA -1.478 53.539 54.840 0.296 0.000 0.815 105 L CB 3.257 45.471 42.059 0.258 0.000 1.268 105 L HN 0.585 8.899 8.230 0.317 0.106 0.428 106 I N 0.979 121.715 120.570 0.277 0.000 2.465 106 I HA 0.599 5.000 4.170 0.090 -0.178 0.291 106 I C -1.629 174.428 176.117 -0.099 0.000 1.014 106 I CA -1.440 59.919 61.300 0.097 0.000 1.093 106 I CB 3.183 41.210 38.000 0.046 0.000 1.267 106 I HN 0.980 9.374 8.210 0.306 0.000 0.431 107 K N 6.578 126.722 120.400 -0.426 0.000 2.185 107 K HA 0.673 4.320 4.320 -1.398 -0.167 0.269 107 K C -1.085 175.221 176.600 -0.489 0.000 0.987 107 K CA -1.914 53.766 56.287 -1.012 0.000 0.865 107 K CB 3.000 34.736 32.500 -1.272 0.000 1.090 107 K HN 0.606 8.698 8.250 -0.264 0.000 0.450 108 L N 4.620 125.587 121.223 -0.427 0.000 2.418 108 L HA 0.209 4.555 4.340 -0.173 -0.110 0.265 108 L C 1.773 178.523 176.870 -0.200 0.000 1.143 108 L CA -0.052 54.653 54.840 -0.225 0.000 0.809 108 L CB 0.482 42.451 42.059 -0.151 0.000 1.124 108 L HN 0.799 8.593 8.230 -0.548 0.107 0.456 109 K N 2.360 122.684 120.400 -0.127 0.000 2.097 109 K HA -0.316 3.939 4.320 -0.108 0.000 0.206 109 K C -0.600 175.951 176.600 -0.082 0.000 1.049 109 K CA 2.529 58.758 56.287 -0.096 0.000 0.933 109 K CB 0.468 32.930 32.500 -0.063 0.000 0.717 109 K HN 0.593 8.781 8.250 -0.104 0.000 0.442 110 S N -3.048 112.610 115.700 -0.070 0.000 2.595 110 S HA 0.125 4.564 4.470 -0.052 0.000 0.281 110 S C -1.621 172.949 174.600 -0.050 0.000 1.117 110 S CA -0.856 57.313 58.200 -0.051 0.000 0.873 110 S CB 2.858 66.040 63.200 -0.030 0.000 1.108 110 S HN -0.581 7.688 8.310 -0.068 0.000 0.477 111 A N 0.254 123.053 122.820 -0.035 0.000 2.351 111 A HA -0.002 4.439 4.320 -0.034 -0.140 0.257 111 A C -0.493 177.087 177.584 -0.006 0.000 1.087 111 A CA -0.254 51.771 52.037 -0.020 0.000 0.798 111 A CB 0.819 19.818 19.000 -0.003 0.000 1.033 111 A HN 0.149 8.282 8.150 -0.028 0.000 0.488 112 A N 0.497 123.320 122.820 0.005 0.000 2.304 112 A HA 0.197 4.598 4.320 0.011 -0.074 0.271 112 A C -0.551 177.044 177.584 0.018 0.000 1.091 112 A CA -1.171 50.876 52.037 0.016 0.000 0.812 112 A CB 1.352 20.370 19.000 0.031 0.000 1.056 112 A HN 0.342 8.387 8.150 0.008 0.110 0.489 113 S N 1.007 116.717 115.700 0.016 0.000 2.422 113 S HA 0.109 4.588 4.470 0.015 0.000 0.298 113 S C -0.709 173.905 174.600 0.023 0.000 1.118 113 S CA -0.460 57.749 58.200 0.015 0.000 1.083 113 S CB 0.576 63.779 63.200 0.006 0.000 0.971 113 S HN -0.021 8.620 8.310 0.013 -0.323 0.478 114 L N 6.171 127.411 121.223 0.028 0.000 2.375 114 L HA 0.185 4.666 4.340 0.040 -0.117 0.271 114 L C -0.444 176.443 176.870 0.029 0.000 1.107 114 L CA -0.288 54.574 54.840 0.035 0.000 0.806 114 L CB 0.620 42.704 42.059 0.042 0.000 1.146 114 L HN 0.242 8.488 8.230 0.026 0.000 0.447 115 N N 3.090 121.809 118.700 0.031 0.000 3.526 115 N HA 0.162 4.916 4.740 0.024 0.000 0.328 115 N C -1.357 174.171 175.510 0.030 0.000 1.601 115 N CA -0.628 52.437 53.050 0.026 0.000 0.834 115 N CB 1.187 39.685 38.487 0.018 0.000 1.983 115 N HN 0.561 8.853 8.380 0.038 0.110 0.579 116 S N -1.950 113.765 115.700 0.025 0.000 2.402 116 S HA -0.216 4.274 4.470 0.033 0.000 0.229 116 S C 0.518 175.134 174.600 0.027 0.000 1.021 116 S CA 2.430 60.647 58.200 0.027 0.000 0.974 116 S CB 0.191 63.403 63.200 0.021 0.000 0.800 116 S HN 0.119 8.441 8.310 0.021 0.000 0.484 117 R N -0.577 119.937 120.500 0.023 0.000 2.210 117 R HA 0.015 4.364 4.340 0.015 0.000 0.203 117 R C -1.389 174.928 176.300 0.027 0.000 1.010 117 R CA 0.312 56.424 56.100 0.021 0.000 1.008 117 R CB 0.884 31.195 30.300 0.019 0.000 0.923 117 R HN -0.030 8.492 8.270 0.022 -0.239 0.469 118 V N -1.936 118.000 119.914 0.037 0.000 2.409 118 V HA 0.283 4.628 4.120 0.052 -0.194 0.290 118 V C -2.092 174.041 176.094 0.064 0.000 1.017 118 V CA -1.066 61.264 62.300 0.050 0.000 0.841 118 V CB 2.406 34.257 31.823 0.047 0.000 1.003 118 V HN -0.352 7.957 8.190 0.034 -0.099 0.426 119 A N 6.579 129.452 122.820 0.090 0.000 2.587 119 A HA 0.597 4.968 4.320 0.085 0.000 0.293 119 A C -3.032 174.642 177.584 0.151 0.000 1.087 119 A CA -1.365 50.735 52.037 0.106 0.000 0.692 119 A CB 2.839 21.903 19.000 0.106 0.000 1.291 119 A HN 0.005 8.100 8.150 0.098 0.114 0.407 120 S N -1.571 114.203 115.700 0.123 0.000 2.693 120 S HA 0.622 5.338 4.470 0.159 -0.150 0.276 120 S C -0.817 173.838 174.600 0.091 0.000 1.192 120 S CA -0.818 57.455 58.200 0.122 0.000 0.994 120 S CB 1.651 64.903 63.200 0.087 0.000 1.012 120 S HN -0.031 8.336 8.310 0.095 0.000 0.550 121 I N 0.402 120.982 120.570 0.017 0.000 2.603 121 I HA 0.269 4.376 4.170 -0.105 0.000 0.300 121 I C -1.447 174.623 176.117 -0.079 0.000 1.017 121 I CA -1.601 59.617 61.300 -0.136 0.000 1.098 121 I CB 4.071 41.773 38.000 -0.498 0.000 1.279 121 I HN 0.113 8.346 8.210 0.038 0.000 0.437 122 S N 6.112 121.763 115.700 -0.081 0.000 2.584 122 S HA 0.224 4.678 4.470 -0.026 0.000 0.273 122 S C -0.660 173.912 174.600 -0.047 0.000 1.311 122 S CA -0.216 57.956 58.200 -0.046 0.000 1.034 122 S CB 0.811 63.989 63.200 -0.037 0.000 0.939 122 S HN 0.308 8.557 8.310 -0.102 0.000 0.513 123 L N 2.448 123.659 121.223 -0.021 0.000 2.399 123 L HA 0.174 4.513 4.340 -0.002 0.000 0.266 123 L C -1.200 175.666 176.870 -0.007 0.000 1.114 123 L CA -2.024 52.814 54.840 -0.004 0.000 0.804 123 L CB 0.285 42.351 42.059 0.011 0.000 1.146 123 L HN 0.191 8.411 8.230 -0.016 0.000 0.451 124 P HA 0.121 4.529 4.420 -0.019 0.000 0.276 124 P C -1.230 176.069 177.300 -0.003 0.000 1.244 124 P CA -0.660 62.435 63.100 -0.008 0.000 0.801 124 P CB 0.766 32.460 31.700 -0.010 0.000 1.006 128 c N 0.452 119.026 118.600 -0.045 0.000 2.480 128 c HA 0.069 4.598 4.570 -0.068 0.000 0.358 128 c C -0.143 173.886 174.090 -0.101 0.000 1.309 128 c CA -0.644 55.643 56.329 -0.070 0.000 2.465 128 c CB 0.575 43.048 42.510 -0.061 0.000 2.379 128 c HN -0.030 8.177 8.230 -0.038 0.000 0.642 129 A N 0.269 122.991 122.820 -0.163 0.000 2.282 129 A HA 0.141 4.387 4.320 -0.123 0.000 0.319 129 A C -1.075 176.406 177.584 -0.172 0.000 1.121 129 A CA -0.546 51.387 52.037 -0.172 0.000 0.836 129 A CB 1.554 20.416 19.000 -0.231 0.000 1.146 129 A HN 0.235 8.258 8.150 -0.212 0.000 0.494 133 G N 1.133 109.898 108.800 -0.059 0.000 2.225 133 G HA2 -0.333 3.597 3.960 -0.049 0.000 0.254 133 G HA3 -0.333 3.603 3.960 -0.040 0.000 0.254 133 G C -0.048 174.817 174.900 -0.058 0.000 0.988 133 G CA 0.135 45.205 45.100 -0.051 0.000 0.625 133 G HN 0.817 8.955 8.290 -0.061 0.115 0.527 134 T N 4.046 118.554 114.554 -0.077 0.000 2.916 134 T HA -0.137 4.178 4.350 -0.058 0.000 0.303 134 T C -0.835 173.823 174.700 -0.071 0.000 1.025 134 T CA 2.268 64.322 62.100 -0.077 0.000 1.142 134 T CB 0.638 69.442 68.868 -0.107 0.000 0.947 134 T HN -0.404 7.703 8.240 -0.092 0.078 0.544 135 Q N 5.519 125.292 119.800 -0.046 0.000 2.261 135 Q HA 0.156 4.596 4.340 -0.038 -0.123 0.252 135 Q C -0.610 175.374 176.000 -0.027 0.000 0.915 135 Q CA 0.409 56.196 55.803 -0.027 0.000 0.915 135 Q CB 1.414 30.153 28.738 0.002 0.000 1.204 135 Q HN 0.142 8.389 8.270 -0.038 0.000 0.421 136 c N 2.907 121.493 118.600 -0.023 0.000 3.044 136 c HA 0.579 5.247 4.570 -0.014 -0.107 0.315 136 c C -1.936 172.161 174.090 0.012 0.000 1.320 136 c CA -1.553 54.764 56.329 -0.020 0.000 1.582 136 c CB 4.313 46.790 42.510 -0.055 0.000 2.039 136 c HN 0.903 9.007 8.230 -0.023 0.112 0.466 137 L N 0.770 122.008 121.223 0.025 0.000 2.313 137 L HA 0.924 5.489 4.340 0.056 -0.190 0.283 137 L C -2.174 174.713 176.870 0.028 0.000 1.013 137 L CA -1.423 53.446 54.840 0.048 0.000 0.816 137 L CB 3.235 45.345 42.059 0.085 0.000 1.236 137 L HN 0.784 8.911 8.230 0.019 0.114 0.419 138 I N 7.204 127.776 120.570 0.003 0.000 2.474 138 I HA 0.875 5.284 4.170 0.015 -0.230 0.294 138 I C -1.368 174.719 176.117 -0.050 0.000 1.005 138 I CA -1.608 59.690 61.300 -0.004 0.000 1.113 138 I CB 2.637 40.639 38.000 0.003 0.000 1.289 138 I HN 1.044 9.258 8.210 0.006 0.000 0.436 139 S N 2.265 117.930 115.700 -0.059 0.000 2.588 139 S HA 1.017 5.516 4.470 -0.220 -0.161 0.275 139 S C -1.188 173.299 174.600 -0.187 0.000 1.130 139 S CA -1.708 56.383 58.200 -0.182 0.000 0.855 139 S CB 3.740 66.795 63.200 -0.243 0.000 1.116 139 S HN -0.195 8.112 8.310 -0.005 0.000 0.472 140 G N -1.169 107.429 108.800 -0.336 0.000 2.316 140 G HA2 0.160 3.896 3.960 -0.374 0.000 0.296 140 G HA3 0.160 4.246 3.960 -0.046 -0.154 0.296 140 G C -2.403 172.284 174.900 -0.356 0.000 1.399 140 G CA 0.587 45.517 45.100 -0.282 0.000 0.833 140 G HN 0.433 8.466 8.290 -0.428 0.000 0.565 141 W N 0.930 122.193 121.300 -0.062 0.000 3.015 141 W HA 0.388 5.003 4.660 -0.075 0.000 0.429 141 W C -0.209 176.359 176.519 0.081 0.000 0.976 141 W CA -0.939 56.332 57.345 -0.123 0.000 2.086 141 W CB 0.313 29.469 29.460 -0.506 0.000 1.125 141 W HN 0.588 8.936 8.180 0.280 0.000 0.721 142 G N 0.695 109.685 108.800 0.316 0.000 2.621 142 G HA2 -0.041 4.278 3.960 0.589 0.000 0.271 142 G HA3 -0.041 4.287 3.960 0.319 -0.176 0.271 142 G C -1.055 174.020 174.900 0.291 0.000 1.236 142 G CA -0.824 44.519 45.100 0.405 0.000 0.958 142 G HN -0.422 8.146 8.290 0.200 -0.158 0.512 143 N N -0.574 118.236 118.700 0.183 0.000 2.353 143 N HA -0.314 4.155 4.740 -0.746 -0.177 0.248 143 N C 0.866 176.302 175.510 -0.122 0.000 1.240 143 N CA 1.038 53.904 53.050 -0.305 0.000 0.862 143 N CB 0.686 38.976 38.487 -0.327 0.000 1.086 143 N HN 0.093 8.709 8.380 0.393 0.000 0.453 144 T N 0.207 114.666 114.554 -0.158 0.000 3.054 144 T HA 0.197 4.646 4.350 -0.042 -0.125 0.255 144 T C 0.110 174.770 174.700 -0.067 0.000 1.035 144 T CA 0.311 62.367 62.100 -0.073 0.000 0.941 144 T CB 1.321 70.158 68.868 -0.051 0.000 1.026 144 T HN 0.484 8.571 8.240 -0.255 0.000 0.533 145 K N 2.632 122.974 120.400 -0.096 0.000 2.270 145 K HA 0.290 4.585 4.320 -0.042 0.000 0.255 145 K C -0.441 176.133 176.600 -0.044 0.000 0.936 145 K CA -1.088 55.161 56.287 -0.064 0.000 0.809 145 K CB 2.672 35.127 32.500 -0.075 0.000 1.131 145 K HN -0.578 7.813 8.250 -0.153 -0.232 0.427 146 S N 0.834 116.523 115.700 -0.018 0.000 2.501 146 S HA -0.113 4.361 4.470 0.007 0.000 0.220 146 S C -0.027 174.575 174.600 0.003 0.000 0.997 146 S CA 1.261 59.462 58.200 0.002 0.000 0.919 146 S CB 0.905 64.112 63.200 0.011 0.000 0.778 146 S HN 0.195 8.495 8.310 -0.016 0.000 0.523 147 S N 0.850 116.546 115.700 -0.007 0.000 2.399 147 S HA 0.183 4.656 4.470 0.006 0.000 0.215 147 S C -0.831 173.762 174.600 -0.011 0.000 1.456 147 S CA -0.207 57.992 58.200 -0.002 0.000 1.199 147 S CB 0.065 63.265 63.200 0.001 0.000 1.063 147 S HN -0.452 7.802 8.310 -0.015 0.047 0.476 148 G N 1.338 110.131 108.800 -0.012 0.000 2.497 148 G HA2 -0.214 3.747 3.960 0.001 0.000 0.686 148 G HA3 -0.214 3.736 3.960 -0.017 0.000 0.686 148 G C -2.559 172.307 174.900 -0.056 0.000 1.288 148 G CA -0.872 44.218 45.100 -0.017 0.000 0.899 148 G HN -0.286 8.001 8.290 -0.004 0.000 0.608 149 T N -3.550 110.969 114.554 -0.058 0.000 2.794 149 T HA 0.062 4.386 4.350 -0.313 -0.162 0.280 149 T C -1.270 173.296 174.700 -0.224 0.000 0.987 149 T CA -1.615 60.377 62.100 -0.182 0.000 0.993 149 T CB 1.687 70.579 68.868 0.041 0.000 0.939 149 T HN -0.144 8.088 8.240 -0.014 0.000 0.449 150 S N 3.988 119.426 115.700 -0.437 0.000 2.680 150 S HA 0.204 4.625 4.470 -0.083 0.000 0.262 150 S C -2.206 172.174 174.600 -0.367 0.000 1.138 150 S CA -0.149 57.917 58.200 -0.224 0.000 1.072 150 S CB 1.030 64.159 63.200 -0.119 0.000 1.097 150 S HN 0.679 8.958 8.310 -0.693 -0.385 0.468 151 Y N 5.802 126.141 120.300 0.065 0.000 2.342 151 Y HA 0.311 4.917 4.550 0.093 0.000 0.334 151 Y C -0.890 175.058 175.900 0.080 0.000 1.067 151 Y CA -2.880 55.271 58.100 0.086 0.000 1.128 151 Y CB 1.011 39.533 38.460 0.103 0.000 1.200 151 Y HN 0.124 8.500 8.280 0.161 0.000 0.464 152 P HA 0.396 4.893 4.420 0.129 0.000 0.280 152 P C -1.547 175.880 177.300 0.212 0.000 1.272 152 P CA -0.938 62.265 63.100 0.172 0.000 0.819 152 P CB 2.134 33.908 31.700 0.123 0.000 1.122 153 D N -2.288 118.213 120.400 0.169 0.000 2.262 153 D HA -0.105 4.601 4.640 0.110 0.000 0.212 153 D C -1.266 175.185 176.300 0.252 0.000 0.964 153 D CA 1.476 55.566 54.000 0.149 0.000 0.875 153 D CB 0.851 41.709 40.800 0.097 0.000 0.996 153 D HN 0.381 8.832 8.370 0.134 0.000 0.497 154 V N -7.975 112.083 119.914 0.239 0.000 2.850 154 V HA 0.736 5.399 4.120 0.410 -0.297 0.315 154 V C -0.730 175.414 176.094 0.084 0.000 1.064 154 V CA -2.836 59.615 62.300 0.253 0.000 0.979 154 V CB 2.142 34.032 31.823 0.111 0.000 1.039 154 V HN -0.911 7.378 8.190 0.165 0.000 0.452 155 L N 2.373 123.523 121.223 -0.123 0.000 2.462 155 L HA -0.059 3.454 4.340 -1.377 0.000 0.272 155 L C -0.318 176.290 176.870 -0.436 0.000 1.166 155 L CA 0.845 55.249 54.840 -0.726 0.000 0.880 155 L CB 0.469 42.067 42.059 -0.768 0.000 1.142 155 L HN 0.004 8.450 8.230 0.099 -0.156 0.473 156 K N 5.990 126.111 120.400 -0.465 0.000 2.156 156 K HA 0.705 4.991 4.320 -0.330 -0.163 0.250 156 K C -1.104 175.242 176.600 -0.424 0.000 0.955 156 K CA -2.577 53.498 56.287 -0.354 0.000 0.855 156 K CB 2.321 34.681 32.500 -0.232 0.000 1.101 156 K HN 0.028 7.926 8.250 -0.587 0.000 0.434 157 c N -0.575 117.676 118.600 -0.583 0.000 2.707 157 c HA 0.979 5.480 4.570 -0.407 -0.176 0.313 157 c C -1.755 171.948 174.090 -0.646 0.000 1.209 157 c CA -0.761 55.163 56.329 -0.676 0.000 1.635 157 c CB 3.562 45.501 42.510 -0.953 0.000 2.206 157 c HN 0.806 8.523 8.230 -0.677 0.106 0.485 158 L N 0.250 121.312 121.223 -0.269 0.000 2.526 158 L HA 0.368 4.754 4.340 0.078 0.000 0.263 158 L C -2.549 174.388 176.870 0.112 0.000 0.943 158 L CA 0.270 55.108 54.840 -0.004 0.000 0.859 158 L CB 4.478 46.557 42.059 0.033 0.000 1.313 158 L HN 0.867 8.978 8.230 -0.198 0.000 0.406 159 K N 5.839 126.372 120.400 0.222 0.000 2.211 159 K HA 0.841 5.457 4.320 0.132 -0.216 0.275 159 K C -0.925 175.811 176.600 0.227 0.000 1.024 159 K CA -1.419 54.982 56.287 0.190 0.000 0.887 159 K CB 1.045 33.663 32.500 0.196 0.000 1.084 159 K HN 0.340 8.761 8.250 0.285 0.000 0.463 160 A N 4.412 127.297 122.820 0.109 0.000 2.486 160 A HA 0.655 4.961 4.320 -0.023 0.000 0.300 160 A C -3.393 174.125 177.584 -0.109 0.000 1.048 160 A CA -2.847 49.179 52.037 -0.017 0.000 0.696 160 A CB 3.137 22.127 19.000 -0.016 0.000 1.278 160 A HN 0.978 9.162 8.150 0.057 0.000 0.405 161 P HA 0.702 5.278 4.420 -0.096 -0.213 0.284 161 P C -1.059 176.172 177.300 -0.115 0.000 1.258 161 P CA -1.452 61.561 63.100 -0.145 0.000 0.824 161 P CB 1.513 33.127 31.700 -0.144 0.000 1.038 162 I N 0.282 120.804 120.570 -0.080 0.000 2.529 162 I HA -0.044 4.287 4.170 0.080 -0.112 0.284 162 I C 0.114 176.220 176.117 -0.019 0.000 1.082 162 I CA 0.557 61.840 61.300 -0.029 0.000 1.406 162 I CB 0.414 38.317 38.000 -0.162 0.000 1.405 162 I HN 0.202 8.355 8.210 -0.095 0.000 0.548 163 L N 6.360 127.607 121.223 0.041 0.000 2.400 163 L HA 0.304 4.636 4.340 -0.013 0.000 0.264 163 L C -0.179 176.710 176.870 0.031 0.000 1.061 163 L CA -1.185 53.667 54.840 0.020 0.000 0.799 163 L CB 0.867 42.946 42.059 0.033 0.000 1.240 163 L HN 0.448 8.641 8.230 0.122 0.111 0.461 164 S N -1.813 113.897 115.700 0.018 0.000 2.593 164 S HA -0.099 4.378 4.470 0.011 0.000 0.269 164 S C 0.416 175.041 174.600 0.041 0.000 1.334 164 S CA -0.894 57.318 58.200 0.019 0.000 1.015 164 S CB 1.819 65.025 63.200 0.010 0.000 0.912 164 S HN -0.081 8.234 8.310 0.009 0.000 0.541 165 D N 1.863 122.288 120.400 0.041 0.000 2.144 165 D HA -0.235 4.452 4.640 0.079 0.000 0.199 165 D C 1.527 177.857 176.300 0.050 0.000 0.984 165 D CA 3.659 57.693 54.000 0.057 0.000 0.834 165 D CB -0.430 40.399 40.800 0.049 0.000 0.955 165 D HN 0.596 8.983 8.370 0.029 0.000 0.465 166 S N -1.180 114.540 115.700 0.034 0.000 2.368 166 S HA -0.277 4.213 4.470 0.033 0.000 0.225 166 S C 2.150 176.766 174.600 0.027 0.000 1.030 166 S CA 3.265 61.482 58.200 0.028 0.000 0.999 166 S CB -0.793 62.418 63.200 0.018 0.000 0.844 166 S HN 0.037 8.356 8.310 0.027 0.007 0.459 167 S N 3.842 119.556 115.700 0.023 0.000 2.383 167 S HA -0.232 4.240 4.470 0.004 0.000 0.227 167 S C 1.846 176.459 174.600 0.022 0.000 1.026 167 S CA 4.183 62.391 58.200 0.013 0.000 0.981 167 S CB -0.129 63.077 63.200 0.009 0.000 0.818 167 S HN -0.461 7.863 8.310 0.023 0.000 0.472 168 c N 3.605 122.237 118.600 0.053 0.000 2.436 168 c HA -0.311 4.317 4.570 0.097 0.000 0.277 168 c C 1.683 175.842 174.090 0.115 0.000 1.241 168 c CA 2.706 59.093 56.329 0.096 0.000 1.721 168 c CB -1.718 40.862 42.510 0.116 0.000 2.043 168 c HN -0.042 8.210 8.230 0.055 0.011 0.472 169 K N -0.914 119.543 120.400 0.095 0.000 2.147 169 K HA -0.340 4.066 4.320 0.144 0.000 0.205 169 K C 2.501 179.141 176.600 0.065 0.000 1.049 169 K CA 2.938 59.285 56.287 0.099 0.000 0.936 169 K CB -0.312 32.234 32.500 0.077 0.000 0.722 169 K HN 0.148 8.446 8.250 0.080 0.000 0.446 170 S N -1.175 114.542 115.700 0.029 0.000 2.383 170 S HA -0.239 4.236 4.470 0.008 0.000 0.227 170 S C 1.345 175.917 174.600 -0.047 0.000 1.026 170 S CA 2.683 60.881 58.200 -0.002 0.000 0.981 170 S CB 0.041 63.235 63.200 -0.010 0.000 0.818 170 S HN -0.315 7.916 8.310 0.031 0.097 0.472 171 A N -0.497 122.265 122.820 -0.096 0.000 1.929 171 A HA -0.104 4.057 4.320 -0.266 0.000 0.216 171 A C -0.167 177.150 177.584 -0.445 0.000 1.176 171 A CA 2.022 53.872 52.037 -0.311 0.000 0.628 171 A CB 0.949 19.695 19.000 -0.424 0.000 0.816 171 A HN -0.577 7.440 8.150 -0.050 0.103 0.444 172 Y N -5.742 114.591 120.300 0.055 0.000 2.562 172 Y HA 0.480 5.100 4.550 0.117 0.000 0.363 172 Y C -2.436 173.525 175.900 0.102 0.000 0.991 172 Y CA -3.661 54.506 58.100 0.111 0.000 1.121 172 Y CB -0.163 38.404 38.460 0.178 0.000 1.159 172 Y HN -0.442 7.883 8.280 0.074 0.000 0.651 173 P HA -0.069 4.527 4.420 0.108 -0.111 0.264 173 P C 0.850 178.221 177.300 0.119 0.000 1.193 173 P CA 1.050 64.218 63.100 0.113 0.000 0.763 173 P CB 0.154 31.893 31.700 0.065 0.000 0.810 174 G N 3.784 112.644 108.800 0.099 0.000 2.189 174 G HA2 -0.367 3.630 3.960 0.061 0.000 0.267 174 G HA3 -0.367 3.628 3.960 0.057 0.000 0.267 174 G C 0.109 175.059 174.900 0.083 0.000 0.975 174 G CA 0.692 45.836 45.100 0.074 0.000 0.644 174 G HN 0.495 8.841 8.290 0.094 0.000 0.537 175 Q N -2.265 117.623 119.800 0.146 0.000 2.217 175 Q HA 0.099 4.471 4.340 0.054 0.000 0.217 175 Q C -0.565 175.569 176.000 0.223 0.000 0.844 175 Q CA -0.389 55.504 55.803 0.151 0.000 0.957 175 Q CB 1.539 30.404 28.738 0.213 0.000 1.127 175 Q HN -0.299 8.013 8.270 0.189 0.071 0.503 176 I N 0.571 121.265 120.570 0.207 0.000 2.321 176 I HA 0.070 4.386 4.170 0.243 0.000 0.291 176 I C -0.421 175.772 176.117 0.128 0.000 0.998 176 I CA -2.165 59.250 61.300 0.191 0.000 1.227 176 I CB -0.886 37.217 38.000 0.172 0.000 1.368 176 I HN -0.483 7.837 8.210 0.182 0.000 0.466 177 T N 2.710 117.336 114.554 0.121 0.000 2.884 177 T HA 0.359 4.749 4.350 0.067 0.000 0.277 177 T C 0.850 175.602 174.700 0.087 0.000 0.976 177 T CA -1.993 60.157 62.100 0.083 0.000 0.956 177 T CB 2.069 70.977 68.868 0.067 0.000 1.113 177 T HN -0.389 7.941 8.240 0.150 0.000 0.554 178 S N -2.440 113.297 115.700 0.061 0.000 2.555 178 S HA -0.189 4.321 4.470 0.068 0.000 0.230 178 S C 0.005 174.647 174.600 0.072 0.000 0.978 178 S CA 1.827 60.061 58.200 0.056 0.000 0.934 178 S CB -0.114 63.099 63.200 0.022 0.000 0.766 178 S HN 0.243 8.580 8.310 0.045 0.000 0.533 179 N N 0.350 119.106 118.700 0.093 0.000 2.251 179 N HA 0.120 4.934 4.740 0.124 0.000 0.217 179 N C -1.850 173.785 175.510 0.208 0.000 1.124 179 N CA -0.369 52.771 53.050 0.150 0.000 0.843 179 N CB 0.798 39.398 38.487 0.188 0.000 1.024 179 N HN -0.578 7.777 8.380 0.089 0.078 0.501 180 M N -1.350 118.357 119.600 0.179 0.000 2.593 180 M HA 0.848 5.606 4.480 0.110 -0.212 0.290 180 M C -2.388 174.035 176.300 0.205 0.000 1.244 180 M CA -0.420 54.963 55.300 0.139 0.000 0.857 180 M CB 5.207 37.864 32.600 0.095 0.000 1.738 180 M HN -0.762 7.529 8.290 0.157 0.093 0.461 181 F N -6.074 113.922 119.950 0.076 0.000 2.645 181 F HA 0.616 5.175 4.527 0.052 0.000 0.310 181 F C -2.802 173.051 175.800 0.088 0.000 1.102 181 F CA -1.671 56.371 58.000 0.070 0.000 0.952 181 F CB 2.419 41.458 39.000 0.066 0.000 1.326 181 F HN 0.191 8.353 8.300 -0.229 0.000 0.456 182 c N -0.030 118.732 118.600 0.270 0.000 2.391 182 c HA 1.016 5.828 4.570 0.056 -0.208 0.339 182 c C -1.105 173.178 174.090 0.322 0.000 1.205 182 c CA -1.041 55.394 56.329 0.177 0.000 1.937 182 c CB 2.816 45.398 42.510 0.121 0.000 2.341 182 c HN 0.888 9.318 8.230 0.334 0.000 0.516 183 A N 2.692 125.684 122.820 0.286 0.000 2.476 183 A HA 0.659 5.180 4.320 0.092 -0.145 0.280 183 A C -2.266 175.375 177.584 0.095 0.000 1.081 183 A CA -0.337 51.796 52.037 0.160 0.000 0.753 183 A CB 2.784 21.823 19.000 0.064 0.000 1.248 183 A HN 0.476 8.811 8.150 0.307 0.000 0.424 184 Y N 3.007 123.341 120.300 0.057 0.000 2.452 184 Y HA 0.049 4.620 4.550 0.034 0.000 0.348 184 Y C 1.006 176.922 175.900 0.027 0.000 0.985 184 Y CA -0.112 58.010 58.100 0.038 0.000 1.214 184 Y CB 0.115 38.596 38.460 0.034 0.000 1.136 184 Y HN 0.320 8.718 8.280 0.197 0.000 0.523 185 L N 4.042 125.337 121.223 0.119 0.000 2.265 185 L HA -0.344 4.023 4.340 0.045 0.000 0.215 185 L C 1.104 178.016 176.870 0.071 0.000 1.117 185 L CA 2.315 57.194 54.840 0.065 0.000 0.782 185 L CB -0.417 41.660 42.059 0.031 0.000 0.914 185 L HN 0.526 8.809 8.230 0.089 0.000 0.441 186 E N -2.308 117.955 120.200 0.104 0.000 2.427 186 E HA -0.109 4.268 4.350 0.046 0.000 0.196 186 E C 0.795 177.430 176.600 0.058 0.000 1.028 186 E CA 0.111 56.551 56.400 0.068 0.000 0.864 186 E CB -0.502 29.235 29.700 0.061 0.000 0.813 186 E HN 0.069 8.477 8.360 0.155 0.045 0.514 187 G N 0.960 109.813 108.800 0.088 0.000 3.445 187 G HA2 -0.394 3.646 3.960 0.086 0.000 0.680 187 G HA3 -0.394 3.614 3.960 0.045 -0.020 0.680 187 G C -0.908 174.016 174.900 0.040 0.000 0.972 187 G CA -0.093 45.048 45.100 0.068 0.000 0.798 187 G HN -0.407 7.781 8.290 0.133 0.182 0.461 188 K N 1.281 121.690 120.400 0.015 0.000 7.156 188 K HA -0.599 3.998 4.320 0.025 -0.261 0.723 188 K C -1.377 175.329 176.600 0.177 0.000 2.501 188 K CA 0.349 56.664 56.287 0.047 0.000 1.807 188 K CB -0.053 32.387 32.500 -0.100 0.000 1.947 188 K HN 0.324 8.607 8.250 0.055 0.000 0.300 189 D N 0.631 121.115 120.400 0.140 0.000 2.808 189 D HA 0.271 5.037 4.640 0.210 0.000 0.294 189 D C -1.946 174.428 176.300 0.123 0.000 1.278 189 D CA -0.507 53.588 54.000 0.158 0.000 0.756 189 D CB 3.936 44.811 40.800 0.126 0.000 1.271 189 D HN 0.172 8.600 8.370 0.095 0.000 0.425 190 S N -1.713 114.073 115.700 0.142 0.000 2.707 190 S HA 0.353 4.952 4.470 0.102 -0.068 0.276 190 S C -1.378 173.275 174.600 0.088 0.000 1.179 190 S CA -0.598 57.677 58.200 0.124 0.000 0.992 190 S CB 1.758 65.070 63.200 0.186 0.000 1.030 190 S HN 0.231 8.645 8.310 0.172 0.000 0.554 191 c N -1.749 116.909 118.600 0.098 0.000 3.293 191 c HA 0.267 4.886 4.570 0.081 0.000 0.362 191 c C -1.516 172.666 174.090 0.153 0.000 1.539 191 c CA -0.585 55.804 56.329 0.100 0.000 1.201 191 c CB 2.968 45.524 42.510 0.077 0.000 1.770 191 c HN 0.261 8.836 8.230 0.116 -0.275 0.440 192 Q N 1.687 121.591 119.800 0.173 0.000 2.333 192 Q HA -0.378 4.093 4.340 0.217 0.000 0.299 192 Q C 1.104 177.299 176.000 0.326 0.000 1.067 192 Q CA 2.195 58.139 55.803 0.236 0.000 0.943 192 Q CB 0.682 29.563 28.738 0.239 0.000 1.233 192 Q HN 0.496 8.852 8.270 0.142 0.000 0.401 193 G N 6.179 115.162 108.800 0.305 0.000 2.258 193 G HA2 -0.454 3.666 3.960 0.266 0.000 0.233 193 G HA3 -0.454 3.790 3.960 0.473 0.000 0.233 193 G C 0.539 175.659 174.900 0.367 0.000 1.006 193 G CA 1.129 46.444 45.100 0.359 0.000 0.620 193 G HN 0.399 8.848 8.290 0.265 0.000 0.511 194 D N 2.383 122.949 120.400 0.277 0.000 2.346 194 D HA 0.098 4.888 4.640 0.250 0.000 0.206 194 D C 0.103 176.510 176.300 0.178 0.000 1.001 194 D CA 0.903 55.035 54.000 0.220 0.000 0.871 194 D CB 0.597 41.496 40.800 0.164 0.000 0.943 194 D HN 0.040 8.451 8.370 0.257 0.114 0.518 195 S N -0.868 114.940 115.700 0.179 0.000 2.599 195 S HA -0.574 4.141 4.470 0.178 -0.139 0.303 195 S C 1.073 175.696 174.600 0.038 0.000 1.267 195 S CA 2.142 60.434 58.200 0.154 0.000 1.055 195 S CB -0.168 63.194 63.200 0.270 0.000 0.790 195 S HN -0.583 7.817 8.310 0.208 0.036 0.500 196 G N 4.530 113.340 108.800 0.016 0.000 2.253 196 G HA2 -0.451 3.561 3.960 -0.034 0.000 0.251 196 G HA3 -0.451 3.588 3.960 -0.069 -0.121 0.251 196 G C -0.119 174.814 174.900 0.055 0.000 0.998 196 G CA 0.175 45.266 45.100 -0.016 0.000 0.621 196 G HN 0.930 9.152 8.290 0.062 0.106 0.524 197 G N 0.957 109.816 108.800 0.098 0.000 2.616 197 G HA2 0.336 4.441 3.960 0.122 0.000 0.268 197 G HA3 0.336 4.371 3.960 0.125 0.000 0.268 197 G C -2.647 172.335 174.900 0.138 0.000 1.213 197 G CA -1.958 43.215 45.100 0.123 0.000 0.926 197 G HN -0.171 8.002 8.290 0.107 0.181 0.523 198 P HA 0.350 4.974 4.420 0.126 -0.128 0.282 198 P C -1.606 175.758 177.300 0.106 0.000 1.249 198 P CA -0.886 62.302 63.100 0.147 0.000 0.806 198 P CB 1.602 33.445 31.700 0.238 0.000 0.984 199 V N 2.563 122.517 119.914 0.066 0.000 2.380 199 V HA 0.275 4.547 4.120 -0.021 -0.164 0.286 199 V C -1.342 174.757 176.094 0.009 0.000 1.015 199 V CA -0.457 61.842 62.300 -0.001 0.000 0.834 199 V CB 1.726 33.517 31.823 -0.054 0.000 1.009 199 V HN -0.155 8.080 8.190 0.076 0.000 0.428 200 V N 8.062 127.975 119.914 -0.001 0.000 2.417 200 V HA 0.667 4.943 4.120 -0.071 -0.199 0.291 200 V C -1.283 174.792 176.094 -0.031 0.000 1.024 200 V CA -1.341 60.932 62.300 -0.044 0.000 0.861 200 V CB 2.878 34.653 31.823 -0.080 0.000 0.985 200 V HN 0.697 8.902 8.190 0.024 0.000 0.436 201 c N 7.739 126.307 118.600 -0.053 0.000 2.396 201 c HA 0.603 5.152 4.570 -0.035 0.000 0.321 201 c C 0.212 174.272 174.090 -0.050 0.000 1.233 201 c CA -1.339 54.959 56.329 -0.053 0.000 1.440 201 c CB 2.027 44.486 42.510 -0.086 0.000 2.110 201 c HN 0.572 8.763 8.230 -0.066 0.000 0.473 202 S N 4.584 120.265 115.700 -0.033 0.000 3.549 202 S HA -0.425 4.035 4.470 -0.016 0.000 0.366 202 S C 0.335 174.917 174.600 -0.030 0.000 1.012 202 S CA 1.107 59.291 58.200 -0.027 0.000 1.141 202 S CB -1.956 61.224 63.200 -0.033 0.000 0.910 202 S HN 1.053 9.349 8.310 -0.024 0.000 0.471 203 G N -4.910 103.871 108.800 -0.032 0.000 2.153 203 G HA2 -0.509 3.423 3.960 -0.047 0.000 0.252 203 G HA3 -0.509 3.434 3.960 -0.029 0.000 0.252 203 G C -1.223 173.628 174.900 -0.082 0.000 0.994 203 G CA 0.355 45.427 45.100 -0.047 0.000 0.698 203 G HN 0.269 8.531 8.290 -0.024 0.014 0.521 210 Q N 1.270 121.083 119.800 0.020 0.000 2.392 210 Q HA 0.197 4.564 4.340 0.046 0.000 0.219 210 Q C -0.229 175.921 176.000 0.250 0.000 0.895 210 Q CA 0.196 56.031 55.803 0.053 0.000 0.929 210 Q CB 2.691 31.380 28.738 -0.083 0.000 1.077 210 Q HN 0.408 8.679 8.270 0.002 0.000 0.532 211 G N -3.235 105.734 108.800 0.281 0.000 2.694 211 G HA2 0.609 5.073 3.960 0.434 0.000 0.290 211 G HA3 0.609 4.855 3.960 0.477 0.000 0.290 211 G C -3.254 171.768 174.900 0.203 0.000 1.386 211 G CA -0.707 44.615 45.100 0.370 0.000 0.872 211 G HN -0.343 8.046 8.290 0.165 0.000 0.475 212 I N -1.255 119.432 120.570 0.196 0.000 2.498 212 I HA 0.583 5.070 4.170 0.159 -0.222 0.290 212 I C -0.433 175.820 176.117 0.227 0.000 1.032 212 I CA -1.413 59.986 61.300 0.165 0.000 1.073 212 I CB 4.218 42.273 38.000 0.092 0.000 1.251 212 I HN -0.393 8.002 8.210 0.185 -0.074 0.426 213 V N 7.489 127.553 119.914 0.250 0.000 2.493 213 V HA -0.194 4.020 4.120 0.157 0.000 0.292 213 V C -1.104 175.032 176.094 0.070 0.000 1.016 213 V CA 2.097 64.505 62.300 0.181 0.000 1.097 213 V CB -1.056 30.884 31.823 0.195 0.000 0.947 213 V HN 0.449 8.766 8.190 0.211 0.000 0.479 214 S N 7.330 122.971 115.700 -0.098 0.000 3.200 214 S HA 0.423 5.096 4.470 0.340 0.000 0.209 214 S C -1.445 173.240 174.600 0.140 0.000 0.869 214 S CA 1.050 59.324 58.200 0.122 0.000 0.820 214 S CB 2.521 65.785 63.200 0.108 0.000 0.834 214 S HN -0.114 7.933 8.310 -0.439 0.000 0.622 215 W N -4.506 116.630 121.300 -0.273 0.000 2.962 215 W HA 0.248 4.790 4.660 -0.197 0.000 0.405 215 W C -2.602 173.738 176.519 -0.298 0.000 1.121 215 W CA -0.752 56.438 57.345 -0.259 0.000 1.164 215 W CB 1.169 30.472 29.460 -0.261 0.000 1.489 215 W HN -0.266 7.590 8.180 -0.541 0.000 0.599 216 G N -3.396 105.449 108.800 0.075 0.000 2.356 216 G HA2 0.102 3.750 3.960 -0.520 0.000 0.294 216 G HA3 0.102 3.983 3.960 -0.131 0.000 0.294 216 G C -2.031 172.992 174.900 0.206 0.000 1.423 216 G CA 0.091 45.131 45.100 -0.101 0.000 0.806 216 G HN -0.027 8.492 8.290 0.383 0.000 0.527 220 c N 1.913 120.550 118.600 0.063 0.000 3.465 220 c HA 0.314 5.057 4.570 0.062 -0.136 0.193 220 c C -1.490 172.632 174.090 0.053 0.000 1.515 220 c CA -0.811 55.553 56.329 0.057 0.000 1.340 220 c CB -1.258 41.282 42.510 0.049 0.000 1.928 220 c HN 0.343 8.606 8.230 0.055 0.000 0.510 221 Q N -1.621 118.212 119.800 0.054 0.000 2.896 221 Q HA 0.130 4.491 4.340 0.034 0.000 0.241 221 Q C -1.447 174.575 176.000 0.036 0.000 0.999 221 Q CA -0.620 55.207 55.803 0.041 0.000 0.912 221 Q CB 2.318 31.082 28.738 0.043 0.000 2.012 221 Q HN 0.154 8.462 8.270 0.063 0.000 0.489 222 K N 4.105 124.519 120.400 0.024 0.000 2.436 222 K HA -0.253 4.208 4.320 0.031 -0.122 0.275 222 K C 0.211 176.808 176.600 -0.005 0.000 0.999 222 K CA 0.698 56.996 56.287 0.017 0.000 0.980 222 K CB 0.045 32.552 32.500 0.012 0.000 0.919 222 K HN 0.255 8.518 8.250 0.021 0.000 0.484 223 N N 1.456 120.148 118.700 -0.013 0.000 2.732 223 N HA -0.488 4.222 4.740 -0.050 0.000 0.250 223 N C -1.601 173.829 175.510 -0.133 0.000 1.097 223 N CA 1.772 54.786 53.050 -0.060 0.000 0.812 223 N CB -0.403 38.045 38.487 -0.065 0.000 1.148 223 N HN 0.795 9.051 8.380 0.008 0.129 0.572 224 K N -2.087 118.264 120.400 -0.082 0.000 2.679 224 K HA 0.549 4.641 4.320 -0.381 0.000 0.188 224 K C -2.429 174.208 176.600 0.062 0.000 1.055 224 K CA -3.476 52.752 56.287 -0.098 0.000 1.006 224 K CB -0.052 32.462 32.500 0.022 0.000 1.317 224 K HN -0.753 7.419 8.250 -0.020 0.066 0.584 225 P HA -0.008 4.468 4.420 0.093 0.000 0.275 225 P C -0.578 176.766 177.300 0.073 0.000 1.266 225 P CA -0.562 62.597 63.100 0.097 0.000 0.793 225 P CB 1.241 32.987 31.700 0.076 0.000 1.074 226 G N -2.365 106.439 108.800 0.006 0.000 2.476 226 G HA2 0.317 4.057 3.960 -0.367 0.000 0.269 226 G HA3 0.317 4.115 3.960 -0.269 0.000 0.269 226 G C -1.784 172.780 174.900 -0.560 0.000 1.195 226 G CA -0.679 44.241 45.100 -0.299 0.000 0.843 226 G HN -0.368 7.984 8.290 0.103 0.000 0.545 227 V N 1.751 121.004 119.914 -1.100 0.000 2.495 227 V HA 0.669 4.530 4.120 -0.721 -0.174 0.298 227 V C -0.998 174.325 176.094 -1.285 0.000 1.031 227 V CA -1.071 60.540 62.300 -1.150 0.000 0.871 227 V CB 2.394 33.095 31.823 -1.870 0.000 0.988 227 V HN 0.457 7.960 8.190 -1.145 0.000 0.432 228 Y N 4.855 124.741 120.300 -0.691 0.000 2.499 228 Y HA 0.597 5.066 4.550 -0.378 -0.146 0.347 228 Y C 0.254 175.870 175.900 -0.473 0.000 0.987 228 Y CA -2.286 55.423 58.100 -0.652 0.000 1.044 228 Y CB 3.819 41.608 38.460 -1.118 0.000 1.245 228 Y HN 1.030 8.906 8.280 -0.674 0.000 0.461 229 T N 4.897 119.423 114.554 -0.047 0.000 2.870 229 T HA -0.011 4.546 4.350 0.104 -0.145 0.300 229 T C -0.644 174.196 174.700 0.234 0.000 0.989 229 T CA 1.633 63.784 62.100 0.085 0.000 1.139 229 T CB 0.510 69.406 68.868 0.047 0.000 0.920 229 T HN 0.493 8.736 8.240 0.005 0.000 0.537 230 K N 8.138 128.760 120.400 0.370 0.000 2.183 230 K HA 0.095 4.844 4.320 0.715 0.000 0.272 230 K C 0.981 177.844 176.600 0.438 0.000 1.113 230 K CA -0.523 56.062 56.287 0.496 0.000 0.949 230 K CB -0.350 32.389 32.500 0.398 0.000 1.365 230 K HN 0.179 8.529 8.250 0.336 0.101 0.420 231 V N 6.077 126.222 119.914 0.385 0.000 2.469 231 V HA -0.530 3.871 4.120 0.470 0.000 0.251 231 V C 1.413 177.675 176.094 0.280 0.000 1.064 231 V CA 3.919 66.429 62.300 0.350 0.000 1.066 231 V CB -0.289 31.668 31.823 0.223 0.000 0.667 231 V HN 0.274 8.704 8.190 0.400 0.000 0.461 232 c N -3.349 115.350 118.600 0.166 0.000 2.409 232 c HA -0.223 4.396 4.570 0.080 0.000 0.284 232 c C 1.638 175.755 174.090 0.045 0.000 1.354 232 c CA 1.684 58.062 56.329 0.082 0.000 1.787 232 c CB -2.119 40.407 42.510 0.027 0.000 1.900 232 c HN 0.487 8.794 8.230 0.159 0.019 0.520 233 N N 0.141 118.844 118.700 0.005 0.000 2.467 233 N HA -0.081 4.568 4.740 -0.152 0.000 0.184 233 N C -0.134 175.140 175.510 -0.393 0.000 1.106 233 N CA 1.080 53.987 53.050 -0.238 0.000 0.892 233 N CB -0.247 37.979 38.487 -0.434 0.000 0.969 233 N HN -0.353 8.047 8.380 0.096 0.038 0.454 234 Y N -4.830 115.539 120.300 0.117 0.000 2.557 234 Y HA 0.120 4.806 4.550 0.226 0.000 0.247 234 Y C 0.213 176.246 175.900 0.221 0.000 1.164 234 Y CA -0.249 57.975 58.100 0.206 0.000 1.218 234 Y CB 0.013 38.616 38.460 0.239 0.000 1.210 234 Y HN -0.141 8.077 8.280 0.223 0.196 0.529 235 V N 1.207 121.258 119.914 0.227 0.000 2.287 235 V HA -0.589 3.624 4.120 0.156 0.000 0.248 235 V C 1.296 177.462 176.094 0.120 0.000 1.053 235 V CA 5.084 67.474 62.300 0.149 0.000 1.027 235 V CB -0.536 31.337 31.823 0.083 0.000 0.646 235 V HN -0.861 7.427 8.190 0.162 0.000 0.447 236 S N -0.067 115.705 115.700 0.119 0.000 2.368 236 S HA -0.332 4.161 4.470 0.038 0.000 0.225 236 S C 1.634 176.307 174.600 0.121 0.000 1.030 236 S CA 3.650 61.902 58.200 0.087 0.000 0.999 236 S CB -0.508 62.740 63.200 0.079 0.000 0.844 236 S HN 0.173 8.550 8.310 0.113 0.000 0.459 237 W N 3.996 125.331 121.300 0.059 0.000 2.358 237 W HA -0.158 4.524 4.660 0.036 0.000 0.303 237 W C 1.442 177.973 176.519 0.020 0.000 1.208 237 W CA 3.073 60.461 57.345 0.073 0.000 1.274 237 W CB -0.030 29.556 29.460 0.210 0.000 1.138 237 W HN -0.401 8.005 8.180 0.376 0.000 0.515 238 I N -0.897 119.697 120.570 0.039 0.000 2.142 238 I HA -0.759 3.053 4.170 -0.597 0.000 0.240 238 I C 1.867 177.769 176.117 -0.360 0.000 1.078 238 I CA 4.568 65.712 61.300 -0.260 0.000 1.343 238 I CB -0.232 37.766 38.000 -0.004 0.000 1.046 238 I HN 0.291 8.700 8.210 0.331 0.000 0.405 239 K N -0.955 119.328 120.400 -0.195 0.000 2.032 239 K HA -0.444 3.733 4.320 -0.240 0.000 0.209 239 K C 2.746 179.199 176.600 -0.246 0.000 1.048 239 K CA 3.789 59.954 56.287 -0.203 0.000 0.927 239 K CB -0.387 32.051 32.500 -0.103 0.000 0.712 239 K HN -0.053 8.146 8.250 -0.085 0.000 0.441 240 Q N -1.878 117.791 119.800 -0.219 0.000 2.050 240 Q HA -0.328 3.922 4.340 -0.151 0.000 0.202 240 Q C 2.667 178.482 176.000 -0.308 0.000 0.980 240 Q CA 3.504 59.185 55.803 -0.204 0.000 0.840 240 Q CB 0.005 28.667 28.738 -0.127 0.000 0.898 240 Q HN 0.216 8.384 8.270 -0.170 0.000 0.424 241 T N 2.569 116.814 114.554 -0.514 0.000 2.746 241 T HA -0.267 3.837 4.350 -0.410 0.000 0.267 241 T C 2.424 176.790 174.700 -0.557 0.000 1.039 241 T CA 4.842 66.589 62.100 -0.588 0.000 1.142 241 T CB -0.192 68.047 68.868 -1.048 0.000 0.866 241 T HN 0.022 7.892 8.240 -0.616 0.000 0.444 242 I N 1.079 121.215 120.570 -0.723 0.000 2.226 242 I HA -0.474 2.875 4.170 -1.369 0.000 0.245 242 I C 1.732 177.616 176.117 -0.389 0.000 1.100 242 I CA 3.767 64.524 61.300 -0.906 0.000 1.374 242 I CB -0.416 36.990 38.000 -0.989 0.000 1.057 242 I HN 0.091 7.883 8.210 -0.697 0.000 0.413 243 A N -0.218 122.428 122.820 -0.290 0.000 1.940 243 A HA -0.246 4.008 4.320 -0.110 0.000 0.219 243 A C 1.430 178.961 177.584 -0.089 0.000 1.176 243 A CA 2.880 54.829 52.037 -0.146 0.000 0.631 243 A CB -0.476 18.448 19.000 -0.127 0.000 0.814 243 A HN 0.017 7.960 8.150 -0.337 0.004 0.446 244 S N -4.494 111.141 115.700 -0.109 0.000 2.634 244 S HA 0.114 4.567 4.470 -0.028 0.000 0.221 244 S C -0.521 174.079 174.600 0.001 0.000 0.952 244 S CA 0.863 59.034 58.200 -0.049 0.000 0.930 244 S CB 0.657 63.819 63.200 -0.064 0.000 0.780 244 S HN -0.383 7.718 8.310 -0.174 0.105 0.498 245 N N 0.000 118.727 118.700 0.045 0.000 1.763 245 N HA 0.000 4.813 4.740 0.121 0.000 0.220 245 N CA 0.000 53.157 53.050 0.179 0.000 0.885 245 N CB 0.000 38.666 38.487 0.299 0.000 1.341 245 N HN 0.000 8.205 8.380 0.003 0.177 0.667