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 1o5f_1_H DATA FIRST_RESID 16 DATA SEQUENCE IVGGRDTSLG RWPWQVSLRY XDGAHLcGGS LLSGDWVLTA AHcFPERNRR DATA SEQUENCE VFAGAVAQAS PHGXXLQLGV QAVVYHGGYL PFXNSNDIAL VHLSSPLPLT DATA SEQUENCE EYIQPVCLPA AGQALVDGKI cTVTGWGNTQ YYGXQQAGVL QEARVPIISN DATA SEQUENCE DVcNGADFYQ IKPKMFcAYP IXXDAcQGDS GGPFVcEDSI SRRLCGIVSW DATA SEQUENCE GTXGcLAQKP GVYTKVSDFR EWIFQAIKTH SEASGMVTQL 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 4.196 4.170 0.043 0.000 0.288 16 I C 0.000 176.135 176.117 0.029 0.000 1.063 16 I CA 0.000 61.315 61.300 0.025 0.000 1.566 16 I CB 0.000 37.996 38.000 -0.007 0.000 1.214 17 V N 5.583 125.524 119.914 0.045 0.000 2.472 17 V HA 0.268 4.548 4.120 0.037 -0.138 0.290 17 V C 0.699 176.820 176.094 0.046 0.000 1.037 17 V CA -1.592 60.735 62.300 0.045 0.000 0.908 17 V CB 1.214 33.070 31.823 0.056 0.000 0.985 17 V HN 0.832 9.056 8.190 0.057 0.000 0.454 18 G N 6.391 115.211 108.800 0.033 0.000 2.198 18 G HA2 -0.410 3.560 3.960 0.016 0.000 0.260 18 G HA3 -0.410 3.721 3.960 0.027 -0.155 0.260 18 G C -0.856 174.059 174.900 0.025 0.000 1.025 18 G CA 0.571 45.686 45.100 0.025 0.000 0.769 18 G HN 0.782 9.090 8.290 0.030 0.000 0.507 19 G N -1.193 107.619 108.800 0.020 0.000 2.938 19 G HA2 0.628 4.600 3.960 0.021 0.000 0.258 19 G HA3 0.628 4.648 3.960 0.003 -0.058 0.258 19 G C -1.543 173.363 174.900 0.010 0.000 1.356 19 G CA -0.772 44.336 45.100 0.013 0.000 1.052 19 G HN -0.423 7.857 8.290 0.019 0.022 0.550 20 R N -1.933 118.571 120.500 0.008 0.000 2.836 20 R HA 0.365 4.712 4.340 0.012 0.000 0.269 20 R C -1.460 174.845 176.300 0.009 0.000 1.010 20 R CA -2.052 54.056 56.100 0.014 0.000 0.930 20 R CB 3.781 34.096 30.300 0.026 0.000 1.218 20 R HN 0.210 8.483 8.270 0.004 0.000 0.473 21 D N 0.728 121.135 120.400 0.012 0.000 2.424 21 D HA 0.134 4.923 4.640 -0.005 -0.152 0.244 21 D C 0.155 176.470 176.300 0.026 0.000 1.134 21 D CA 0.815 54.821 54.000 0.011 0.000 0.881 21 D CB 0.457 41.268 40.800 0.017 0.000 1.191 21 D HN -0.009 8.370 8.370 0.015 0.000 0.445 22 T N 3.385 117.956 114.554 0.029 0.000 2.919 22 T HA 0.294 4.690 4.350 0.075 0.000 0.282 22 T C -1.587 173.129 174.700 0.026 0.000 1.020 22 T CA -1.857 60.286 62.100 0.072 0.000 0.994 22 T CB 1.156 70.135 68.868 0.185 0.000 1.180 22 T HN 0.215 8.457 8.240 0.002 0.000 0.566 23 S N 0.033 115.733 115.700 0.000 0.000 2.689 23 S HA 0.259 4.710 4.470 -0.031 0.000 0.306 23 S C -0.326 174.227 174.600 -0.078 0.000 1.104 23 S CA -1.414 56.762 58.200 -0.039 0.000 0.973 23 S CB 2.090 65.263 63.200 -0.044 0.000 1.121 23 S HN 0.176 8.484 8.310 -0.004 0.000 0.523 24 L N 1.017 122.172 121.223 -0.113 0.000 2.525 24 L HA -0.263 3.958 4.340 -0.199 0.000 0.278 24 L C 1.467 178.305 176.870 -0.053 0.000 1.218 24 L CA 2.049 56.770 54.840 -0.198 0.000 0.878 24 L CB -0.293 41.484 42.059 -0.469 0.000 1.127 24 L HN 0.300 8.466 8.230 -0.108 0.000 0.492 25 G N 2.594 111.404 108.800 0.017 0.000 2.253 25 G HA2 -0.402 3.747 3.960 0.118 0.000 0.251 25 G HA3 -0.402 3.640 3.960 0.137 0.000 0.251 25 G C -0.341 174.424 174.900 -0.225 0.000 0.998 25 G CA 0.428 45.555 45.100 0.045 0.000 0.621 25 G HN 0.546 8.814 8.290 -0.036 0.000 0.524 26 R N 0.721 121.011 120.500 -0.349 0.000 2.073 26 R HA -0.305 3.642 4.340 -0.655 0.000 0.229 26 R C -1.147 174.457 176.300 -1.160 0.000 1.120 26 R CA 2.166 57.817 56.100 -0.749 0.000 0.967 26 R CB 0.827 30.710 30.300 -0.694 0.000 0.862 26 R HN -0.547 7.482 8.270 -0.246 0.093 0.436 27 W N -3.173 117.850 121.300 -0.462 0.000 1.950 27 W HA 0.458 4.339 4.660 -1.299 0.000 0.289 27 W C -2.078 173.827 176.519 -1.024 0.000 0.883 27 W CA -3.319 53.496 57.345 -0.883 0.000 2.031 27 W CB -0.071 29.106 29.460 -0.471 0.000 2.266 27 W HN -0.196 7.736 8.180 -0.413 0.000 0.400 28 P HA -0.051 4.361 4.420 -0.182 -0.101 0.230 28 P C -0.312 176.917 177.300 -0.119 0.000 1.158 28 P CA 1.744 64.636 63.100 -0.346 0.000 0.769 28 P CB 0.323 31.902 31.700 -0.201 0.000 0.807 29 W N -4.692 116.714 121.300 0.176 0.000 3.077 29 W HA 0.291 5.153 4.660 0.153 -0.110 0.266 29 W C -0.496 176.132 176.519 0.182 0.000 1.300 29 W CA -2.519 54.927 57.345 0.168 0.000 1.586 29 W CB -1.109 28.449 29.460 0.163 0.000 1.103 29 W HN -0.443 6.881 8.180 -1.307 0.072 0.652 30 Q N 3.309 123.205 119.800 0.159 0.000 2.289 30 Q HA 0.201 4.888 4.340 0.334 -0.147 0.273 30 Q C -0.394 175.799 176.000 0.322 0.000 1.029 30 Q CA 0.688 56.632 55.803 0.235 0.000 0.896 30 Q CB 0.534 29.298 28.738 0.043 0.000 1.182 30 Q HN -0.622 7.496 8.270 -0.172 0.048 0.385 31 V N 0.554 120.711 119.914 0.405 0.000 3.102 31 V HA 0.797 5.283 4.120 0.446 -0.099 0.312 31 V C -2.076 174.357 176.094 0.565 0.000 1.135 31 V CA -2.835 59.724 62.300 0.432 0.000 1.022 31 V CB 3.846 35.844 31.823 0.291 0.000 1.056 31 V HN 0.144 8.566 8.190 0.386 0.000 0.436 32 S N 0.557 116.529 115.700 0.452 0.000 2.473 32 S HA 0.494 5.382 4.470 0.495 -0.122 0.307 32 S C -1.183 173.540 174.600 0.206 0.000 1.094 32 S CA -2.109 56.297 58.200 0.342 0.000 1.070 32 S CB 1.585 64.762 63.200 -0.039 0.000 1.019 32 S HN 0.316 8.860 8.310 0.390 0.000 0.480 33 L N 6.841 128.118 121.223 0.089 0.000 2.280 33 L HA 0.650 5.221 4.340 0.108 -0.167 0.287 33 L C -1.174 175.665 176.870 -0.052 0.000 1.023 33 L CA -1.234 53.633 54.840 0.044 0.000 0.819 33 L CB 1.013 43.089 42.059 0.028 0.000 1.212 33 L HN 0.861 9.105 8.230 0.024 0.000 0.420 34 R N 1.582 122.092 120.500 0.017 0.000 2.589 34 R HA 0.897 5.417 4.340 -0.041 -0.205 0.293 34 R C -1.454 174.900 176.300 0.090 0.000 0.963 34 R CA -1.552 54.550 56.100 0.003 0.000 0.905 34 R CB 3.139 33.422 30.300 -0.029 0.000 1.144 34 R HN 0.522 8.831 8.270 0.064 0.000 0.459 38 G N -2.748 105.991 108.800 -0.101 0.000 2.299 38 G HA2 -0.316 3.591 3.960 -0.089 0.000 0.237 38 G HA3 -0.316 3.596 3.960 -0.080 0.000 0.237 38 G C -1.043 173.816 174.900 -0.070 0.000 1.027 38 G CA 0.412 45.463 45.100 -0.082 0.000 0.619 38 G HN -0.058 8.167 8.290 -0.102 0.004 0.513 39 A N 2.331 125.130 122.820 -0.035 0.000 2.306 39 A HA 0.217 4.513 4.320 -0.039 0.000 0.314 39 A C -1.894 175.682 177.584 -0.013 0.000 1.164 39 A CA -1.122 50.903 52.037 -0.020 0.000 0.822 39 A CB 1.785 20.788 19.000 0.005 0.000 1.130 39 A HN -0.552 7.514 8.150 -0.021 0.071 0.496 40 H N 4.195 123.204 119.070 -0.101 0.000 2.955 40 H HA -0.133 4.492 4.556 -0.101 -0.130 0.290 40 H C -0.584 174.720 175.328 -0.040 0.000 1.047 40 H CA 1.366 57.352 56.048 -0.103 0.000 1.484 40 H CB -0.327 29.333 29.762 -0.170 0.000 1.501 40 H HN 0.588 8.889 8.280 0.035 0.000 0.521 41 L N 5.458 126.398 121.223 -0.472 0.000 2.515 41 L HA 0.254 4.484 4.340 -0.182 0.000 0.202 41 L C -0.747 175.860 176.870 -0.439 0.000 1.056 41 L CA 1.009 55.650 54.840 -0.331 0.000 0.847 41 L CB 1.935 43.865 42.059 -0.216 0.000 1.131 41 L HN 0.293 8.244 8.230 -0.465 0.000 0.484 42 c N -4.434 113.843 118.600 -0.537 0.000 3.154 42 c HA 0.531 5.046 4.570 -0.188 -0.058 0.312 42 c C -1.259 172.753 174.090 -0.129 0.000 1.349 42 c CA -0.805 55.344 56.329 -0.300 0.000 1.518 42 c CB 4.080 46.424 42.510 -0.278 0.000 1.934 42 c HN -0.522 7.388 8.230 -0.534 0.000 0.462 43 G N -0.890 107.973 108.800 0.104 0.000 2.521 43 G HA2 0.784 5.149 3.960 0.455 0.000 0.323 43 G HA3 0.784 4.942 3.960 0.332 0.000 0.323 43 G C -2.481 172.540 174.900 0.201 0.000 1.211 43 G CA -1.548 43.732 45.100 0.300 0.000 0.979 43 G HN 0.797 9.121 8.290 0.057 0.000 0.490 44 G N -3.872 105.084 108.800 0.259 0.000 2.623 44 G HA2 0.585 4.934 3.960 0.190 0.000 0.290 44 G HA3 0.585 4.683 3.960 0.229 0.000 0.290 44 G C -2.990 172.073 174.900 0.273 0.000 1.437 44 G CA 0.124 45.362 45.100 0.230 0.000 0.798 44 G HN -0.495 7.990 8.290 0.325 0.000 0.488 45 S N 0.171 116.027 115.700 0.259 0.000 2.532 45 S HA 0.706 5.596 4.470 0.377 -0.194 0.299 45 S C -0.487 174.279 174.600 0.277 0.000 1.105 45 S CA -1.072 57.306 58.200 0.298 0.000 1.018 45 S CB 3.390 66.729 63.200 0.232 0.000 1.021 45 S HN 0.235 8.683 8.310 0.229 0.000 0.483 46 L N 4.870 126.285 121.223 0.319 0.000 2.367 46 L HA -0.013 4.621 4.340 0.270 -0.133 0.275 46 L C -0.121 176.898 176.870 0.249 0.000 1.129 46 L CA 0.630 55.640 54.840 0.284 0.000 0.839 46 L CB 0.039 42.269 42.059 0.285 0.000 1.133 46 L HN 0.602 8.959 8.230 0.396 0.110 0.453 47 L N 1.839 123.207 121.223 0.241 0.000 2.515 47 L HA 0.295 4.722 4.340 0.145 0.000 0.223 47 L C 0.089 177.084 176.870 0.208 0.000 1.079 47 L CA 0.244 55.199 54.840 0.192 0.000 0.857 47 L CB 1.349 43.512 42.059 0.173 0.000 1.050 47 L HN 0.706 9.104 8.230 0.280 0.000 0.476 48 S N -3.822 112.031 115.700 0.255 0.000 2.724 48 S HA 0.178 4.765 4.470 0.195 0.000 0.278 48 S C 0.497 175.228 174.600 0.218 0.000 1.190 48 S CA -0.656 57.686 58.200 0.237 0.000 0.860 48 S CB 1.919 65.294 63.200 0.292 0.000 1.206 48 S HN -0.746 7.734 8.310 0.284 0.000 0.507 49 G N -1.979 106.927 108.800 0.176 0.000 2.509 49 G HA2 -0.159 3.878 3.960 0.128 0.000 0.218 49 G HA3 -0.159 3.863 3.960 0.104 0.000 0.218 49 G C -0.150 174.812 174.900 0.105 0.000 1.124 49 G CA 1.904 47.081 45.100 0.129 0.000 0.776 49 G HN 0.462 8.854 8.290 0.171 0.000 0.547 50 D N -2.914 117.560 120.400 0.123 0.000 2.503 50 D HA 0.188 4.813 4.640 -0.024 0.000 0.218 50 D C -1.784 174.494 176.300 -0.035 0.000 1.183 50 D CA -1.651 52.351 54.000 0.003 0.000 0.827 50 D CB 0.271 41.025 40.800 -0.076 0.000 1.034 50 D HN -0.590 7.852 8.370 0.196 0.046 0.510 51 W N -2.371 119.038 121.300 0.181 0.000 2.785 51 W HA 0.647 5.643 4.660 0.208 -0.211 0.333 51 W C -1.611 175.000 176.519 0.153 0.000 1.062 51 W CA -1.047 56.402 57.345 0.173 0.000 1.233 51 W CB 3.937 33.468 29.460 0.119 0.000 1.413 51 W HN -0.719 7.662 8.180 0.336 0.000 0.489 52 V N 2.431 122.593 119.914 0.413 0.000 2.604 52 V HA 0.725 5.206 4.120 0.293 -0.185 0.305 52 V C -2.020 174.258 176.094 0.307 0.000 1.043 52 V CA -1.380 61.107 62.300 0.312 0.000 0.888 52 V CB 3.406 35.383 31.823 0.257 0.000 0.995 52 V HN 1.021 9.372 8.190 0.444 0.105 0.429 53 L N 7.414 128.787 121.223 0.249 0.000 2.296 53 L HA 0.808 5.439 4.340 0.234 -0.151 0.286 53 L C -1.641 175.337 176.870 0.180 0.000 1.023 53 L CA -1.263 53.702 54.840 0.208 0.000 0.812 53 L CB 2.580 44.733 42.059 0.156 0.000 1.223 53 L HN 0.877 9.142 8.230 0.238 0.108 0.421 54 T N 4.939 119.592 114.554 0.165 0.000 2.598 54 T HA 0.592 5.196 4.350 0.088 -0.201 0.289 54 T C -2.252 172.461 174.700 0.022 0.000 1.056 54 T CA -2.958 59.208 62.100 0.108 0.000 1.088 54 T CB 1.915 70.880 68.868 0.163 0.000 1.519 54 T HN 0.685 9.036 8.240 0.185 0.000 0.488 55 A N -0.938 121.834 122.820 -0.081 0.000 2.306 55 A HA 0.425 4.763 4.320 -0.216 -0.148 0.314 55 A C 0.319 177.774 177.584 -0.215 0.000 1.164 55 A CA -1.509 50.391 52.037 -0.230 0.000 0.822 55 A CB 1.337 20.100 19.000 -0.395 0.000 1.130 55 A HN 0.415 8.505 8.150 -0.100 0.000 0.496 56 A N 4.450 127.086 122.820 -0.307 0.000 1.972 56 A HA -0.225 4.198 4.320 0.172 0.000 0.219 56 A C 1.609 179.029 177.584 -0.274 0.000 1.169 56 A CA 3.050 54.945 52.037 -0.237 0.000 0.635 56 A CB -0.516 18.134 19.000 -0.583 0.000 0.810 56 A HN 0.714 8.642 8.150 -0.407 -0.022 0.446 57 H N -3.933 114.808 119.070 -0.548 0.000 2.561 57 H HA -0.128 4.411 4.556 -0.028 0.000 0.278 57 H C 0.606 175.890 175.328 -0.073 0.000 1.014 57 H CA 1.773 57.693 56.048 -0.214 0.000 1.211 57 H CB -0.930 28.723 29.762 -0.181 0.000 1.365 57 H HN 0.127 8.326 8.280 -0.641 -0.303 0.594 58 c N -2.089 116.232 118.600 -0.466 0.000 2.562 58 c HA -0.115 4.175 4.570 -0.465 0.000 0.266 58 c C -1.204 172.353 174.090 -0.889 0.000 1.382 58 c CA 1.288 57.186 56.329 -0.718 0.000 1.742 58 c CB -0.621 41.310 42.510 -0.964 0.000 1.812 58 c HN -0.874 6.986 8.230 -0.493 0.074 0.559 59 F N -1.762 118.184 119.950 -0.007 0.000 2.530 59 F HA 0.353 4.770 4.527 -0.183 0.000 0.318 59 F C -2.303 173.318 175.800 -0.299 0.000 1.356 59 F CA -2.751 55.177 58.000 -0.121 0.000 1.135 59 F CB -0.252 38.693 39.000 -0.092 0.000 1.315 59 F HN -0.580 7.692 8.300 0.068 0.069 0.549 60 P HA 0.130 4.062 4.420 -0.814 0.000 0.274 60 P C 0.782 177.884 177.300 -0.331 0.000 1.256 60 P CA -0.511 62.371 63.100 -0.364 0.000 0.795 60 P CB 0.813 32.443 31.700 -0.118 0.000 1.038 61 E N 0.846 120.854 120.200 -0.321 0.000 2.095 61 E HA -0.488 3.738 4.350 -0.206 0.000 0.212 61 E C 2.324 178.847 176.600 -0.129 0.000 1.044 61 E CA 4.171 60.453 56.400 -0.197 0.000 0.857 61 E CB -0.432 29.188 29.700 -0.134 0.000 0.764 61 E HN 0.415 8.558 8.360 -0.361 0.000 0.462 62 R N -5.049 115.381 120.500 -0.116 0.000 2.200 62 R HA -0.279 4.039 4.340 -0.036 0.000 0.234 62 R C 0.657 176.873 176.300 -0.139 0.000 1.127 62 R CA 2.095 58.146 56.100 -0.082 0.000 0.989 62 R CB -0.180 30.080 30.300 -0.066 0.000 0.869 62 R HN 0.017 8.215 8.270 -0.120 0.000 0.459 63 N N -2.963 115.579 118.700 -0.263 0.000 2.535 63 N HA 0.204 4.455 4.740 -0.814 0.000 0.294 63 N C -1.899 173.483 175.510 -0.214 0.000 1.408 63 N CA -0.363 52.345 53.050 -0.571 0.000 0.927 63 N CB -0.016 37.977 38.487 -0.825 0.000 1.276 63 N HN 0.037 8.115 8.380 -0.226 0.166 0.505 64 R N 0.252 120.731 120.500 -0.036 0.000 2.575 64 R HA 0.165 4.554 4.340 0.082 0.000 0.281 64 R C -1.289 175.072 176.300 0.102 0.000 1.272 64 R CA -0.663 55.466 56.100 0.047 0.000 1.417 64 R CB -0.853 29.445 30.300 -0.004 0.000 1.121 64 R HN -0.810 7.380 8.270 -0.034 0.060 0.583 65 R N 1.438 121.991 120.500 0.088 0.000 2.732 65 R HA 0.562 5.089 4.340 0.065 -0.148 0.278 65 R C -1.040 175.325 176.300 0.108 0.000 0.976 65 R CA -3.546 52.599 56.100 0.075 0.000 0.963 65 R CB 2.544 32.876 30.300 0.052 0.000 1.150 65 R HN 0.118 8.450 8.270 0.103 0.000 0.478 66 V N 2.214 122.198 119.914 0.118 0.000 2.444 66 V HA 0.450 4.854 4.120 0.168 -0.184 0.294 66 V C -1.842 174.361 176.094 0.182 0.000 1.022 66 V CA -0.576 61.815 62.300 0.150 0.000 0.850 66 V CB 1.956 33.853 31.823 0.125 0.000 0.992 66 V HN 0.598 8.846 8.190 0.096 0.000 0.426 67 F N 9.265 129.239 119.950 0.039 0.000 2.427 67 F HA 1.000 5.769 4.527 0.019 -0.230 0.346 67 F C -2.251 173.596 175.800 0.078 0.000 1.120 67 F CA -2.869 55.141 58.000 0.018 0.000 1.033 67 F CB 3.452 42.412 39.000 -0.068 0.000 1.126 67 F HN 0.869 9.346 8.300 0.295 0.000 0.462 68 A N 5.723 128.316 122.820 -0.380 0.000 2.527 68 A HA 0.597 4.852 4.320 -0.108 0.000 0.293 68 A C -1.375 176.011 177.584 -0.330 0.000 1.117 68 A CA -1.606 50.288 52.037 -0.239 0.000 0.723 68 A CB 3.445 22.429 19.000 -0.026 0.000 1.313 68 A HN 0.798 8.691 8.150 -0.428 0.000 0.411 69 G N -2.154 106.565 108.800 -0.134 0.000 2.147 69 G HA2 -0.441 3.725 3.960 0.030 0.000 0.244 69 G HA3 -0.441 3.500 3.960 -0.032 0.000 0.244 69 G C -1.690 173.124 174.900 -0.143 0.000 1.005 69 G CA 0.527 45.587 45.100 -0.067 0.000 0.713 69 G HN 0.877 9.145 8.290 -0.037 0.000 0.515 70 A N -2.750 119.981 122.820 -0.148 0.000 2.594 70 A HA 0.360 4.604 4.320 -0.125 0.000 0.295 70 A C -1.634 176.083 177.584 0.221 0.000 1.071 70 A CA -0.693 51.321 52.037 -0.039 0.000 0.685 70 A CB 3.014 22.023 19.000 0.014 0.000 1.285 70 A HN -0.601 7.471 8.150 -0.130 0.000 0.405 71 V N -5.832 114.208 119.914 0.210 0.000 3.644 71 V HA 0.041 4.451 4.120 0.483 0.000 0.267 71 V C -1.299 175.093 176.094 0.498 0.000 1.277 71 V CA 0.488 62.988 62.300 0.334 0.000 1.096 71 V CB 0.999 32.881 31.823 0.099 0.000 0.828 71 V HN -0.039 8.202 8.190 0.086 0.000 0.446 72 A N -0.996 122.041 122.820 0.361 0.000 2.276 72 A HA 0.646 5.380 4.320 0.306 -0.230 0.316 72 A C 0.843 178.558 177.584 0.219 0.000 1.229 72 A CA -1.530 50.673 52.037 0.276 0.000 0.851 72 A CB 1.068 20.161 19.000 0.155 0.000 1.165 72 A HN -0.459 7.860 8.150 0.281 0.000 0.513 73 Q N 5.923 125.717 119.800 -0.011 0.000 2.181 73 Q HA -0.374 3.523 4.340 -0.739 0.000 0.205 73 Q C 1.333 177.091 176.000 -0.405 0.000 0.980 73 Q CA 3.571 59.101 55.803 -0.454 0.000 0.862 73 Q CB 0.146 28.559 28.738 -0.542 0.000 0.905 73 Q HN 0.405 8.710 8.270 0.058 0.000 0.429 74 A N -2.773 119.961 122.820 -0.143 0.000 2.532 74 A HA 0.187 4.412 4.320 -0.159 0.000 0.273 74 A C -0.644 176.962 177.584 0.037 0.000 1.342 74 A CA -1.111 50.873 52.037 -0.087 0.000 0.929 74 A CB -0.898 18.068 19.000 -0.058 0.000 1.051 74 A HN -0.008 8.073 8.150 -0.066 0.030 0.521 75 S N 0.666 116.460 115.700 0.156 0.000 2.548 75 S HA 0.194 4.774 4.470 0.184 0.000 0.277 75 S C 0.098 174.820 174.600 0.202 0.000 1.315 75 S CA -2.857 55.479 58.200 0.226 0.000 1.050 75 S CB 0.660 64.035 63.200 0.292 0.000 0.918 75 S HN -0.526 7.823 8.310 0.201 0.082 0.497 76 P HA 0.097 4.527 4.420 0.017 0.000 0.241 76 P C -0.374 176.835 177.300 -0.152 0.000 1.191 76 P CA 0.723 63.790 63.100 -0.055 0.000 0.771 76 P CB 0.304 31.908 31.700 -0.160 0.000 0.929 77 H N -1.438 117.671 119.070 0.064 0.000 2.526 77 H HA 0.165 4.740 4.556 0.032 0.000 0.274 77 H C 0.217 175.536 175.328 -0.014 0.000 0.999 77 H CA 0.243 56.308 56.048 0.028 0.000 1.157 77 H CB -0.428 29.341 29.762 0.012 0.000 1.407 77 H HN -0.346 8.013 8.280 0.243 0.067 0.568 82 Q N 0.655 120.485 119.800 0.049 0.000 2.309 82 Q HA 0.807 5.482 4.340 0.119 -0.264 0.270 82 Q C -1.212 174.819 176.000 0.051 0.000 1.023 82 Q CA -0.908 54.952 55.803 0.094 0.000 0.758 82 Q CB 2.247 31.063 28.738 0.129 0.000 1.247 82 Q HN 0.135 8.428 8.270 0.039 0.000 0.455 83 L N 3.066 124.317 121.223 0.046 0.000 2.301 83 L HA 0.373 4.719 4.340 0.010 0.000 0.264 83 L C -1.008 175.874 176.870 0.019 0.000 1.016 83 L CA -1.851 53.000 54.840 0.018 0.000 0.821 83 L CB 3.411 45.470 42.059 -0.000 0.000 1.346 83 L HN 0.612 8.880 8.230 0.064 0.000 0.429 84 G N -1.546 107.251 108.800 -0.005 0.000 2.547 84 G HA2 0.341 4.309 3.960 0.013 0.000 0.291 84 G HA3 0.341 4.290 3.960 -0.018 0.000 0.291 84 G C -1.783 173.101 174.900 -0.026 0.000 1.211 84 G CA -1.463 43.632 45.100 -0.007 0.000 0.950 84 G HN 0.013 8.293 8.290 -0.018 0.000 0.504 85 V N -0.754 119.151 119.914 -0.016 0.000 2.459 85 V HA 0.200 4.406 4.120 -0.066 -0.125 0.295 85 V C -0.377 175.682 176.094 -0.058 0.000 1.029 85 V CA -0.548 61.732 62.300 -0.033 0.000 0.874 85 V CB 2.225 34.064 31.823 0.027 0.000 0.985 85 V HN 0.316 8.506 8.190 0.001 0.000 0.438 86 Q N 7.984 127.718 119.800 -0.110 0.000 2.287 86 Q HA 0.013 4.310 4.340 -0.073 0.000 0.201 86 Q C -1.040 174.933 176.000 -0.045 0.000 0.946 86 Q CA 1.550 57.293 55.803 -0.100 0.000 0.868 86 Q CB 2.695 31.313 28.738 -0.200 0.000 0.967 86 Q HN 0.844 9.022 8.270 -0.154 0.000 0.516 87 A N -4.702 118.096 122.820 -0.037 0.000 2.609 87 A HA 0.797 5.261 4.320 -0.020 -0.156 0.291 87 A C -2.732 174.835 177.584 -0.028 0.000 1.096 87 A CA -0.982 51.049 52.037 -0.010 0.000 0.684 87 A CB 3.643 22.668 19.000 0.041 0.000 1.282 87 A HN -0.697 7.414 8.150 -0.065 0.000 0.412 88 V N -0.118 119.758 119.914 -0.063 0.000 2.577 88 V HA 0.736 5.008 4.120 -0.072 -0.196 0.303 88 V C -1.684 174.393 176.094 -0.028 0.000 1.042 88 V CA -1.060 61.160 62.300 -0.133 0.000 0.872 88 V CB 4.030 35.565 31.823 -0.480 0.000 0.998 88 V HN 0.653 8.811 8.190 -0.053 0.000 0.423 89 V N 7.513 127.459 119.914 0.054 0.000 2.357 89 V HA 0.588 4.864 4.120 -0.099 -0.216 0.284 89 V C -1.278 174.972 176.094 0.260 0.000 1.018 89 V CA -1.383 60.932 62.300 0.025 0.000 0.841 89 V CB 1.137 32.929 31.823 -0.052 0.000 0.991 89 V HN 0.683 8.939 8.190 0.110 0.000 0.437 90 Y N 4.451 124.870 120.300 0.198 0.000 2.587 90 Y HA 0.597 5.331 4.550 0.306 0.000 0.337 90 Y C -1.800 174.328 175.900 0.379 0.000 1.065 90 Y CA -3.692 54.579 58.100 0.285 0.000 1.126 90 Y CB 2.784 41.394 38.460 0.251 0.000 1.279 90 Y HN 0.849 9.076 8.280 -0.088 0.000 0.489 91 H N 2.877 122.132 119.070 0.308 0.000 2.955 91 H HA 0.153 5.075 4.556 0.267 -0.205 0.290 91 H C 1.489 176.963 175.328 0.243 0.000 1.047 91 H CA 0.876 56.980 56.048 0.092 0.000 1.484 91 H CB 1.018 30.549 29.762 -0.385 0.000 1.501 91 H HN -0.256 8.229 8.280 0.343 0.000 0.521 92 G N 6.287 115.280 108.800 0.320 0.000 2.708 92 G HA2 -0.191 3.956 3.960 0.312 0.000 0.210 92 G HA3 -0.191 3.876 3.960 0.179 0.000 0.210 92 G C -0.236 174.887 174.900 0.373 0.000 1.141 92 G CA 0.710 45.990 45.100 0.299 0.000 0.788 92 G HN 0.470 8.720 8.290 0.133 0.120 0.531 93 G N -1.723 107.390 108.800 0.521 0.000 3.189 93 G HA2 0.027 4.089 3.960 0.169 0.000 0.225 93 G HA3 0.027 4.064 3.960 0.129 0.000 0.225 93 G C -0.887 174.064 174.900 0.085 0.000 1.159 93 G CA -0.843 44.381 45.100 0.206 0.000 0.763 93 G HN -0.380 8.493 8.290 1.101 0.077 0.549 94 Y N 4.257 124.574 120.300 0.029 0.000 2.632 94 Y HA 0.225 4.854 4.550 -0.181 -0.187 0.336 94 Y C -0.196 175.657 175.900 -0.078 0.000 1.237 94 Y CA -3.007 55.017 58.100 -0.128 0.000 1.595 94 Y CB -1.582 36.730 38.460 -0.246 0.000 1.508 94 Y HN -0.474 7.951 8.280 0.379 0.082 0.480 95 L N 7.634 128.671 121.223 -0.310 0.000 2.137 95 L HA -0.254 4.038 4.340 -0.080 0.000 0.213 95 L C -0.227 176.455 176.870 -0.314 0.000 1.085 95 L CA 3.270 57.969 54.840 -0.235 0.000 0.760 95 L CB -2.665 39.275 42.059 -0.198 0.000 0.893 95 L HN 0.024 8.069 8.230 -0.253 0.033 0.434 96 P HA -0.220 4.044 4.420 -0.260 0.000 0.222 96 P C -0.871 176.459 177.300 0.050 0.000 1.142 96 P CA 1.457 64.297 63.100 -0.433 0.000 0.788 96 P CB 0.127 31.353 31.700 -0.790 0.000 0.767 100 S N 0.701 116.398 115.700 -0.004 0.000 2.600 100 S HA 0.026 4.547 4.470 0.086 0.000 0.265 100 S C -0.625 174.007 174.600 0.054 0.000 1.325 100 S CA 1.042 59.269 58.200 0.046 0.000 1.002 100 S CB 1.097 64.306 63.200 0.015 0.000 0.921 100 S HN -0.228 8.038 8.310 -0.072 0.000 0.554 101 N N -2.713 115.980 118.700 -0.012 0.000 2.754 101 N HA -0.318 4.172 4.740 -0.417 0.000 0.248 101 N C -1.348 173.974 175.510 -0.313 0.000 1.093 101 N CA 0.994 53.871 53.050 -0.289 0.000 0.699 101 N CB -0.888 37.299 38.487 -0.500 0.000 1.016 101 N HN 0.674 9.106 8.380 0.086 0.000 0.552 102 D N -0.974 119.256 120.400 -0.284 0.000 2.517 102 D HA 0.104 4.212 4.640 -0.886 0.000 0.220 102 D C -2.130 173.889 176.300 -0.469 0.000 1.158 102 D CA -0.443 53.266 54.000 -0.485 0.000 0.992 102 D CB -0.622 40.040 40.800 -0.230 0.000 1.058 102 D HN -0.072 8.190 8.370 -0.180 0.000 0.516 103 I N 2.648 122.912 120.570 -0.509 0.000 2.918 103 I HA 0.812 4.995 4.170 -0.286 -0.185 0.301 103 I C -3.218 172.784 176.117 -0.191 0.000 1.312 103 I CA -1.733 59.318 61.300 -0.415 0.000 1.007 103 I CB 4.151 41.698 38.000 -0.755 0.000 1.281 103 I HN -0.345 7.525 8.210 -0.508 0.035 0.440 104 A N 4.035 126.881 122.820 0.044 0.000 2.608 104 A HA 0.789 5.488 4.320 0.449 -0.110 0.292 104 A C -2.983 174.798 177.584 0.328 0.000 1.066 104 A CA -0.900 51.309 52.037 0.288 0.000 0.676 104 A CB 3.707 22.889 19.000 0.304 0.000 1.277 104 A HN 0.545 8.716 8.150 0.035 0.000 0.413 105 L N -0.864 120.577 121.223 0.364 0.000 2.346 105 L HA 0.990 5.745 4.340 0.351 -0.205 0.274 105 L C -1.312 175.757 176.870 0.331 0.000 1.007 105 L CA -1.437 53.622 54.840 0.365 0.000 0.818 105 L CB 4.443 46.703 42.059 0.335 0.000 1.284 105 L HN 0.477 8.934 8.230 0.378 0.000 0.424 106 V N 1.533 121.659 119.914 0.354 0.000 2.444 106 V HA 0.457 4.795 4.120 0.103 -0.156 0.294 106 V C -1.719 174.454 176.094 0.132 0.000 1.022 106 V CA -1.146 61.270 62.300 0.193 0.000 0.850 106 V CB 2.506 34.440 31.823 0.185 0.000 0.992 106 V HN 0.827 9.169 8.190 0.421 0.100 0.426 107 H N 8.602 127.517 119.070 -0.259 0.000 2.519 107 H HA 0.674 4.836 4.556 -0.986 -0.198 0.316 107 H C -0.648 174.464 175.328 -0.360 0.000 1.065 107 H CA -3.081 52.533 56.048 -0.722 0.000 1.264 107 H CB 1.685 30.846 29.762 -1.003 0.000 1.413 107 H HN 0.611 8.891 8.280 0.001 0.000 0.465 108 L N 5.757 126.758 121.223 -0.370 0.000 2.418 108 L HA 0.100 4.486 4.340 -0.162 -0.143 0.265 108 L C 0.563 177.202 176.870 -0.385 0.000 1.143 108 L CA -0.276 54.408 54.840 -0.260 0.000 0.809 108 L CB 0.466 42.438 42.059 -0.145 0.000 1.124 108 L HN 0.134 8.044 8.230 -0.353 0.109 0.456 109 S N -0.502 115.055 115.700 -0.238 0.000 2.442 109 S HA -0.213 4.088 4.470 -0.283 0.000 0.236 109 S C 0.129 174.611 174.600 -0.197 0.000 1.007 109 S CA 2.106 60.174 58.200 -0.220 0.000 0.965 109 S CB 0.765 63.892 63.200 -0.121 0.000 0.773 109 S HN 0.320 8.417 8.310 -0.154 0.121 0.504 110 S N -2.461 113.143 115.700 -0.161 0.000 2.570 110 S HA 0.311 4.711 4.470 -0.117 0.000 0.270 110 S C -2.768 171.781 174.600 -0.085 0.000 1.149 110 S CA -2.802 55.334 58.200 -0.107 0.000 0.837 110 S CB 1.798 64.961 63.200 -0.062 0.000 1.124 110 S HN -0.800 7.388 8.310 -0.150 0.032 0.465 111 P HA 0.081 4.631 4.420 -0.019 -0.141 0.281 111 P C -1.194 176.111 177.300 0.009 0.000 1.249 111 P CA -0.895 62.199 63.100 -0.010 0.000 0.810 111 P CB 0.869 32.580 31.700 0.018 0.000 1.008 112 L N 1.456 122.697 121.223 0.029 0.000 2.395 112 L HA 0.440 4.793 4.340 0.023 0.000 0.269 112 L C -1.305 175.590 176.870 0.042 0.000 1.133 112 L CA -2.400 52.461 54.840 0.035 0.000 0.812 112 L CB -0.262 41.829 42.059 0.052 0.000 1.125 112 L HN 0.232 8.358 8.230 0.040 0.129 0.452 113 P HA -0.029 4.411 4.420 0.034 0.000 0.274 113 P C -1.751 175.575 177.300 0.043 0.000 1.231 113 P CA -0.500 62.620 63.100 0.034 0.000 0.790 113 P CB 0.511 32.226 31.700 0.025 0.000 0.951 114 L N 0.389 121.637 121.223 0.041 0.000 2.282 114 L HA 0.347 4.849 4.340 0.060 -0.126 0.288 114 L C -0.107 176.774 176.870 0.018 0.000 1.033 114 L CA -0.757 54.111 54.840 0.047 0.000 0.807 114 L CB 1.056 43.151 42.059 0.060 0.000 1.209 114 L HN -0.018 8.233 8.230 0.036 0.000 0.423 115 T N 1.445 116.001 114.554 0.004 0.000 2.626 115 T HA 0.341 4.655 4.350 -0.060 0.000 0.279 115 T C -0.171 174.465 174.700 -0.106 0.000 0.983 115 T CA -1.712 60.352 62.100 -0.060 0.000 1.059 115 T CB 1.742 70.570 68.868 -0.066 0.000 1.396 115 T HN 0.408 8.564 8.240 0.026 0.100 0.519 116 E N -2.548 117.501 120.200 -0.252 0.000 2.478 116 E HA -0.150 4.102 4.350 -0.163 0.000 0.198 116 E C -0.582 175.877 176.600 -0.235 0.000 1.046 116 E CA 2.050 58.271 56.400 -0.298 0.000 0.870 116 E CB -0.731 28.695 29.700 -0.456 0.000 0.818 116 E HN 0.590 8.764 8.360 -0.310 0.000 0.527 117 Y N -2.958 117.317 120.300 -0.042 0.000 2.430 117 Y HA 0.171 4.666 4.550 -0.090 0.000 0.248 117 Y C -0.648 175.224 175.900 -0.047 0.000 1.108 117 Y CA -1.190 56.874 58.100 -0.060 0.000 1.264 117 Y CB 1.625 40.056 38.460 -0.048 0.000 1.172 117 Y HN -0.592 7.528 8.280 -0.154 0.068 0.520 118 I N -0.260 120.372 120.570 0.103 0.000 2.439 118 I HA 0.394 4.821 4.170 0.096 -0.199 0.283 118 I C -1.737 174.442 176.117 0.102 0.000 1.023 118 I CA -1.193 60.164 61.300 0.095 0.000 1.100 118 I CB 1.493 39.544 38.000 0.085 0.000 1.238 118 I HN -0.803 7.327 8.210 0.061 0.116 0.445 119 Q N 5.595 125.487 119.800 0.153 0.000 2.377 119 Q HA 0.527 4.966 4.340 0.165 0.000 0.279 119 Q C -2.975 173.227 176.000 0.337 0.000 1.049 119 Q CA -3.438 52.492 55.803 0.212 0.000 0.825 119 Q CB 3.549 32.417 28.738 0.218 0.000 1.401 119 Q HN -0.029 8.222 8.270 0.163 0.117 0.404 120 P HA 0.143 4.889 4.420 0.344 -0.119 0.276 120 P C -1.572 175.889 177.300 0.269 0.000 1.252 120 P CA -0.641 62.635 63.100 0.294 0.000 0.802 120 P CB 1.293 33.113 31.700 0.199 0.000 1.035 121 V N -0.482 119.489 119.914 0.096 0.000 2.834 121 V HA 0.051 3.891 4.120 -0.466 0.000 0.313 121 V C -0.558 175.445 176.094 -0.151 0.000 1.060 121 V CA -1.573 60.532 62.300 -0.326 0.000 0.989 121 V CB 2.583 33.941 31.823 -0.775 0.000 1.041 121 V HN 0.185 8.461 8.190 0.144 0.000 0.459 122 C N 4.319 123.506 119.300 -0.189 0.000 2.345 122 C HA 0.138 4.589 4.460 -0.015 0.000 0.369 122 C C -0.488 174.467 174.990 -0.058 0.000 1.273 122 C CA 0.286 59.262 59.018 -0.071 0.000 2.310 122 C CB 0.740 28.447 27.740 -0.055 0.000 2.219 122 C HN -0.125 7.922 8.230 -0.305 0.000 0.587 123 L N -0.846 120.378 121.223 0.001 0.000 2.334 123 L HA 0.416 4.752 4.340 -0.006 0.000 0.270 123 L C -1.472 175.411 176.870 0.021 0.000 1.018 123 L CA -2.812 52.036 54.840 0.014 0.000 0.811 123 L CB 0.703 42.785 42.059 0.037 0.000 1.271 123 L HN 0.090 8.338 8.230 0.031 0.000 0.443 124 P HA 0.066 4.629 4.420 0.009 -0.138 0.267 124 P C -0.877 176.453 177.300 0.048 0.000 1.200 124 P CA -0.326 62.788 63.100 0.023 0.000 0.772 124 P CB 0.178 31.889 31.700 0.019 0.000 0.855 125 A N 2.326 125.168 122.820 0.037 0.000 2.296 125 A HA 0.053 4.417 4.320 0.073 0.000 0.264 125 A C -0.240 177.375 177.584 0.052 0.000 1.097 125 A CA -1.426 50.641 52.037 0.049 0.000 0.811 125 A CB 0.833 19.849 19.000 0.027 0.000 1.072 125 A HN 0.324 8.867 8.150 0.020 -0.381 0.495 126 A N -0.630 122.225 122.820 0.058 0.000 2.520 126 A HA -0.150 4.210 4.320 0.067 0.000 0.245 126 A C 1.194 178.794 177.584 0.026 0.000 1.072 126 A CA 1.375 53.444 52.037 0.053 0.000 0.761 126 A CB -1.001 18.029 19.000 0.050 0.000 1.004 126 A HN 0.234 8.418 8.150 0.058 0.000 0.499 127 G N 2.550 111.362 108.800 0.019 0.000 2.253 127 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.251 127 G HA3 -0.410 3.552 3.960 0.003 0.000 0.251 127 G C -0.344 174.554 174.900 -0.004 0.000 0.998 127 G CA -0.120 44.982 45.100 0.004 0.000 0.621 127 G HN 0.323 8.627 8.290 0.024 0.000 0.524 128 Q N 2.129 121.929 119.800 0.000 0.000 2.244 128 Q HA -0.184 4.148 4.340 -0.014 0.000 0.278 128 Q C -1.031 174.955 176.000 -0.024 0.000 1.093 128 Q CA 0.396 56.193 55.803 -0.010 0.000 0.916 128 Q CB 0.242 28.978 28.738 -0.004 0.000 1.159 128 Q HN -0.394 7.666 8.270 0.011 0.217 0.384 129 A N 5.609 128.407 122.820 -0.036 0.000 2.281 129 A HA 0.288 4.573 4.320 -0.058 0.000 0.329 129 A C -0.873 176.662 177.584 -0.083 0.000 1.122 129 A CA -0.714 51.289 52.037 -0.057 0.000 0.850 129 A CB 1.562 20.530 19.000 -0.052 0.000 1.207 129 A HN -0.005 8.125 8.150 -0.032 0.000 0.495 130 L N -0.082 121.065 121.223 -0.127 0.000 2.426 130 L HA 0.044 4.283 4.340 -0.169 0.000 0.271 130 L C -0.192 176.595 176.870 -0.137 0.000 1.169 130 L CA -0.656 54.072 54.840 -0.186 0.000 0.836 130 L CB 0.563 42.415 42.059 -0.344 0.000 1.112 130 L HN 0.076 8.229 8.230 -0.128 0.000 0.465 131 V N 4.405 124.247 119.914 -0.119 0.000 2.304 131 V HA 0.036 4.112 4.120 -0.073 0.000 0.269 131 V C -0.818 175.226 176.094 -0.083 0.000 1.036 131 V CA -0.942 61.309 62.300 -0.081 0.000 0.840 131 V CB 0.540 32.329 31.823 -0.056 0.000 1.036 131 V HN 0.071 8.186 8.190 -0.124 0.000 0.466 132 D N 8.326 128.677 120.400 -0.082 0.000 2.472 132 D HA -0.326 4.262 4.640 -0.087 0.000 0.237 132 D C 1.174 177.445 176.300 -0.048 0.000 1.141 132 D CA 1.961 55.918 54.000 -0.072 0.000 0.875 132 D CB 0.212 40.975 40.800 -0.063 0.000 1.192 132 D HN 0.328 8.650 8.370 -0.079 0.000 0.450 133 G N 3.046 111.821 108.800 -0.041 0.000 2.320 133 G HA2 -0.494 3.449 3.960 -0.028 0.000 0.242 133 G HA3 -0.494 3.453 3.960 -0.022 0.000 0.242 133 G C -0.428 174.461 174.900 -0.018 0.000 1.033 133 G CA -0.099 44.985 45.100 -0.027 0.000 0.620 133 G HN 0.300 8.443 8.290 -0.045 0.120 0.517 134 K N 2.170 122.558 120.400 -0.020 0.000 2.436 134 K HA -0.059 4.255 4.320 -0.009 0.000 0.275 134 K C -0.894 175.706 176.600 -0.000 0.000 0.999 134 K CA 0.761 57.041 56.287 -0.013 0.000 0.980 134 K CB 0.850 33.336 32.500 -0.023 0.000 0.919 134 K HN -0.464 7.670 8.250 -0.032 0.097 0.484 135 I N 4.816 125.383 120.570 -0.005 0.000 2.312 135 I HA 0.062 4.393 4.170 -0.002 -0.162 0.290 135 I C -0.679 175.403 176.117 -0.058 0.000 1.008 135 I CA -0.220 61.075 61.300 -0.008 0.000 1.226 135 I CB 0.253 38.266 38.000 0.022 0.000 1.371 135 I HN 0.050 8.258 8.210 -0.004 0.000 0.468 136 c N 7.942 126.456 118.600 -0.144 0.000 2.710 136 c HA 0.379 4.798 4.570 -0.251 0.000 0.367 136 c C -1.432 172.416 174.090 -0.402 0.000 1.315 136 c CA -1.698 54.401 56.329 -0.383 0.000 1.764 136 c CB 3.387 45.416 42.510 -0.803 0.000 2.182 136 c HN 0.376 8.559 8.230 -0.079 0.000 0.491 137 T N 0.758 115.011 114.554 -0.502 0.000 2.885 137 T HA 0.885 5.270 4.350 -0.277 -0.201 0.285 137 T C -1.848 172.556 174.700 -0.494 0.000 1.019 137 T CA -0.479 61.368 62.100 -0.422 0.000 1.010 137 T CB 2.271 70.866 68.868 -0.455 0.000 1.022 137 T HN 0.595 8.502 8.240 -0.555 0.000 0.466 138 V N 4.704 124.435 119.914 -0.305 0.000 2.656 138 V HA 0.952 5.203 4.120 -0.131 -0.210 0.307 138 V C -2.335 173.620 176.094 -0.232 0.000 1.051 138 V CA -3.045 59.176 62.300 -0.132 0.000 0.893 138 V CB 3.940 35.851 31.823 0.147 0.000 0.999 138 V HN 0.752 8.793 8.190 -0.248 0.000 0.426 139 T N 4.113 118.532 114.554 -0.226 0.000 2.901 139 T HA 0.985 5.322 4.350 -0.302 -0.169 0.293 139 T C -1.325 173.262 174.700 -0.189 0.000 1.084 139 T CA -2.904 59.012 62.100 -0.307 0.000 1.008 139 T CB 3.048 71.601 68.868 -0.525 0.000 1.170 139 T HN -0.276 7.889 8.240 -0.126 0.000 0.509 140 G N -0.663 107.964 108.800 -0.287 0.000 2.321 140 G HA2 0.146 3.955 3.960 -0.252 0.000 0.298 140 G HA3 0.146 4.273 3.960 -0.022 -0.180 0.298 140 G C -2.341 172.389 174.900 -0.283 0.000 1.385 140 G CA 0.492 45.467 45.100 -0.209 0.000 0.856 140 G HN -0.263 7.803 8.290 -0.373 0.000 0.584 141 W N 0.361 121.618 121.300 -0.073 0.000 3.102 141 W HA 0.343 4.931 4.660 -0.119 0.000 0.401 141 W C -0.135 176.289 176.519 -0.158 0.000 1.070 141 W CA -0.903 56.325 57.345 -0.194 0.000 1.921 141 W CB 0.976 30.150 29.460 -0.476 0.000 1.118 141 W HN 0.607 8.953 8.180 0.277 0.000 0.647 142 G N 0.779 109.657 108.800 0.130 0.000 2.653 142 G HA2 -0.111 3.937 3.960 0.141 0.000 0.265 142 G HA3 -0.111 4.020 3.960 0.108 -0.106 0.265 142 G C -0.728 174.204 174.900 0.053 0.000 1.237 142 G CA -0.735 44.431 45.100 0.110 0.000 0.946 142 G HN -0.185 8.371 8.290 0.115 -0.198 0.522 143 N N -0.304 118.409 118.700 0.023 0.000 2.353 143 N HA -0.258 4.622 4.740 0.003 -0.138 0.248 143 N C 0.861 176.376 175.510 0.009 0.000 1.240 143 N CA 1.167 54.214 53.050 -0.006 0.000 0.862 143 N CB 0.265 38.708 38.487 -0.072 0.000 1.086 143 N HN 0.068 8.459 8.380 0.018 0.000 0.453 144 T N -4.575 109.989 114.554 0.016 0.000 3.086 144 T HA -0.011 4.508 4.350 0.025 -0.154 0.250 144 T C -0.577 174.144 174.700 0.034 0.000 1.074 144 T CA -0.035 62.080 62.100 0.025 0.000 0.988 144 T CB 1.182 70.065 68.868 0.026 0.000 0.988 144 T HN -0.217 8.032 8.240 0.016 0.000 0.530 145 Q N -2.380 117.439 119.800 0.032 0.000 2.386 145 Q HA 0.320 4.699 4.340 0.065 0.000 0.274 145 Q C -1.466 174.551 176.000 0.028 0.000 1.011 145 Q CA -0.838 54.998 55.803 0.055 0.000 0.867 145 Q CB 3.183 31.968 28.738 0.078 0.000 1.409 145 Q HN -0.667 7.532 8.270 0.013 0.079 0.395 146 Y N 6.034 126.277 120.300 -0.094 0.000 2.069 146 Y HA -0.366 4.091 4.550 -0.155 0.000 0.278 146 Y C 1.585 177.342 175.900 -0.240 0.000 1.175 146 Y CA 3.666 61.629 58.100 -0.227 0.000 1.134 146 Y CB 0.374 38.580 38.460 -0.423 0.000 0.965 146 Y HN 0.610 8.973 8.280 0.138 0.000 0.498 147 Y N -0.537 119.873 120.300 0.182 0.000 2.928 147 Y HA 0.058 4.618 4.550 0.017 0.000 0.390 147 Y C -0.728 175.192 175.900 0.033 0.000 1.101 147 Y CA -1.107 57.051 58.100 0.096 0.000 1.777 147 Y CB -1.295 37.258 38.460 0.156 0.000 1.720 147 Y HN -0.006 8.351 8.280 0.128 0.000 0.484 151 Q N -0.848 118.960 119.800 0.014 0.000 2.584 151 Q HA -0.240 4.232 4.340 0.034 -0.112 0.235 151 Q C -0.576 175.448 176.000 0.041 0.000 1.079 151 Q CA 0.435 56.256 55.803 0.029 0.000 0.977 151 Q CB 0.523 29.274 28.738 0.022 0.000 1.293 151 Q HN 0.191 8.467 8.270 0.009 0.000 0.553 152 A N 0.595 123.460 122.820 0.074 0.000 2.327 152 A HA 0.146 4.506 4.320 0.067 0.000 0.283 152 A C -0.346 177.337 177.584 0.166 0.000 1.127 152 A CA -0.260 51.837 52.037 0.100 0.000 0.810 152 A CB 0.906 19.957 19.000 0.085 0.000 1.066 152 A HN 0.046 8.132 8.150 0.086 0.115 0.492 153 G N 0.864 109.739 108.800 0.126 0.000 2.539 153 G HA2 0.034 4.034 3.960 0.066 0.000 0.215 153 G HA3 0.034 4.037 3.960 0.071 0.000 0.215 153 G C -1.408 173.629 174.900 0.228 0.000 1.141 153 G CA 0.737 45.907 45.100 0.117 0.000 0.806 153 G HN 0.582 8.926 8.290 0.090 0.000 0.533 154 V N -0.995 119.048 119.914 0.214 0.000 2.555 154 V HA 0.517 5.022 4.120 0.299 -0.206 0.302 154 V C -0.113 176.030 176.094 0.082 0.000 1.038 154 V CA -1.270 61.149 62.300 0.198 0.000 0.887 154 V CB 3.219 35.100 31.823 0.096 0.000 0.991 154 V HN -0.838 7.418 8.190 0.151 0.024 0.434 155 L N 7.559 128.733 121.223 -0.081 0.000 2.525 155 L HA -0.095 3.593 4.340 -1.086 0.000 0.278 155 L C -1.353 175.350 176.870 -0.279 0.000 1.218 155 L CA 0.979 55.450 54.840 -0.615 0.000 0.878 155 L CB 0.849 42.467 42.059 -0.735 0.000 1.127 155 L HN 0.437 8.637 8.230 0.130 0.108 0.492 156 Q N 3.949 123.574 119.800 -0.292 0.000 2.301 156 Q HA 0.757 5.245 4.340 -0.091 -0.203 0.267 156 Q C -0.629 175.262 176.000 -0.183 0.000 1.035 156 Q CA -2.314 53.397 55.803 -0.152 0.000 0.856 156 Q CB 3.077 31.757 28.738 -0.095 0.000 1.337 156 Q HN 0.112 8.133 8.270 -0.414 0.000 0.450 157 E N -1.247 118.885 120.200 -0.115 0.000 2.293 157 E HA 0.886 5.248 4.350 -0.281 -0.181 0.270 157 E C -2.114 174.440 176.600 -0.077 0.000 0.879 157 E CA -2.095 54.203 56.400 -0.171 0.000 0.756 157 E CB 4.434 34.067 29.700 -0.112 0.000 1.208 157 E HN 0.591 8.918 8.360 -0.055 0.000 0.428 158 A N 1.364 124.130 122.820 -0.090 0.000 2.515 158 A HA 0.507 4.841 4.320 0.024 0.000 0.298 158 A C -2.606 174.974 177.584 -0.006 0.000 1.059 158 A CA -0.743 51.293 52.037 -0.002 0.000 0.698 158 A CB 3.982 23.009 19.000 0.045 0.000 1.289 158 A HN 0.629 8.677 8.150 -0.170 0.000 0.404 159 R N 1.529 122.067 120.500 0.064 0.000 2.387 159 R HA 0.957 5.505 4.340 -0.016 -0.218 0.314 159 R C -0.812 175.582 176.300 0.157 0.000 0.958 159 R CA -1.040 55.099 56.100 0.065 0.000 0.846 159 R CB 1.615 31.968 30.300 0.088 0.000 1.147 159 R HN 0.376 8.704 8.270 0.098 0.000 0.447 160 V N -1.085 118.877 119.914 0.079 0.000 2.971 160 V HA 0.569 4.626 4.120 -0.104 0.000 0.309 160 V C -2.961 173.100 176.094 -0.056 0.000 1.130 160 V CA -4.139 58.150 62.300 -0.017 0.000 0.964 160 V CB 3.338 35.196 31.823 0.058 0.000 1.029 160 V HN 0.509 8.708 8.190 0.015 0.000 0.427 161 P HA 0.585 5.206 4.420 -0.010 -0.207 0.282 161 P C -0.749 176.531 177.300 -0.033 0.000 1.259 161 P CA -1.919 61.123 63.100 -0.098 0.000 0.826 161 P CB 1.585 33.190 31.700 -0.157 0.000 1.064 162 I N -0.008 120.575 120.570 0.021 0.000 2.529 162 I HA -0.015 4.301 4.170 0.042 -0.121 0.284 162 I C 0.257 176.356 176.117 -0.030 0.000 1.082 162 I CA 0.688 61.993 61.300 0.009 0.000 1.406 162 I CB 0.592 38.561 38.000 -0.051 0.000 1.405 162 I HN -0.154 8.070 8.210 0.023 0.000 0.548 163 I N 7.507 128.066 120.570 -0.018 0.000 2.525 163 I HA 0.181 4.310 4.170 -0.067 0.000 0.301 163 I C -1.056 175.025 176.117 -0.060 0.000 0.992 163 I CA -1.066 60.200 61.300 -0.056 0.000 1.162 163 I CB 2.499 40.459 38.000 -0.065 0.000 1.332 163 I HN 0.433 8.660 8.210 0.028 0.000 0.458 164 S N 4.290 119.937 115.700 -0.089 0.000 2.603 164 S HA -0.037 4.397 4.470 -0.059 0.000 0.268 164 S C 0.914 175.462 174.600 -0.087 0.000 1.317 164 S CA -0.447 57.707 58.200 -0.077 0.000 1.012 164 S CB 1.259 64.412 63.200 -0.077 0.000 0.926 164 S HN 0.192 8.440 8.310 -0.104 0.000 0.539 165 N N 2.334 121.002 118.700 -0.052 0.000 2.244 165 N HA -0.285 4.435 4.740 -0.033 0.000 0.183 165 N C 1.305 176.779 175.510 -0.059 0.000 1.016 165 N CA 3.610 56.637 53.050 -0.038 0.000 0.866 165 N CB -0.075 38.407 38.487 -0.009 0.000 0.980 165 N HN 0.564 8.919 8.380 -0.042 0.000 0.430 166 D N -1.844 118.517 120.400 -0.065 0.000 2.123 166 D HA -0.230 4.385 4.640 -0.041 0.000 0.196 166 D C 0.988 177.221 176.300 -0.112 0.000 0.992 166 D CA 2.726 56.688 54.000 -0.064 0.000 0.833 166 D CB -0.693 40.075 40.800 -0.054 0.000 0.954 166 D HN 0.234 8.551 8.370 -0.060 0.016 0.455 167 V N -0.905 118.897 119.914 -0.186 0.000 2.283 167 V HA -0.460 3.490 4.120 -0.284 0.000 0.243 167 V C 1.288 177.052 176.094 -0.550 0.000 1.039 167 V CA 3.153 65.233 62.300 -0.367 0.000 1.016 167 V CB 0.448 32.020 31.823 -0.419 0.000 0.650 167 V HN -0.738 7.279 8.190 -0.161 0.076 0.449 168 c N 0.465 118.811 118.600 -0.423 0.000 2.411 168 c HA -0.404 3.872 4.570 -0.491 0.000 0.279 168 c C 1.180 175.281 174.090 0.018 0.000 1.288 168 c CA 3.682 59.863 56.329 -0.247 0.000 1.764 168 c CB -1.998 40.481 42.510 -0.051 0.000 1.974 168 c HN 0.455 8.500 8.230 -0.308 0.000 0.498 169 N N -2.818 115.884 118.700 0.004 0.000 2.461 169 N HA -0.022 4.810 4.740 0.154 0.000 0.188 169 N C 0.242 175.802 175.510 0.084 0.000 1.134 169 N CA 0.613 53.712 53.050 0.082 0.000 0.878 169 N CB 0.068 38.586 38.487 0.052 0.000 0.972 169 N HN 0.161 8.387 8.380 -0.053 0.123 0.456 170 G N -0.280 108.555 108.800 0.057 0.000 2.491 170 G HA2 0.008 4.006 3.960 0.064 0.000 0.242 170 G HA3 0.008 4.026 3.960 0.096 0.000 0.242 170 G C -0.458 174.533 174.900 0.151 0.000 1.266 170 G CA -0.319 44.837 45.100 0.093 0.000 0.844 170 G HN -0.233 7.851 8.290 -0.022 0.193 0.571 171 A N 2.230 125.114 122.820 0.107 0.000 1.997 171 A HA -0.341 4.030 4.320 0.084 0.000 0.221 171 A C 0.715 178.347 177.584 0.080 0.000 1.172 171 A CA 2.617 54.705 52.037 0.085 0.000 0.645 171 A CB -0.201 18.831 19.000 0.054 0.000 0.813 171 A HN 0.476 8.676 8.150 0.083 0.000 0.454 172 D N -2.171 118.298 120.400 0.115 0.000 2.355 172 D HA -0.048 4.571 4.640 -0.035 0.000 0.218 172 D C -0.197 176.044 176.300 -0.099 0.000 1.004 172 D CA 0.860 54.871 54.000 0.019 0.000 0.880 172 D CB -0.370 40.436 40.800 0.011 0.000 0.911 172 D HN -0.023 8.412 8.370 0.162 0.032 0.528 173 F N -0.362 119.526 119.950 -0.103 0.000 2.243 173 F HA 0.411 4.992 4.527 -0.305 -0.237 0.205 173 F C 0.678 176.292 175.800 -0.311 0.000 1.141 173 F CA 1.087 58.952 58.000 -0.224 0.000 1.193 173 F CB 1.706 40.643 39.000 -0.104 0.000 1.576 173 F HN -0.257 8.055 8.300 0.319 0.179 0.484 174 Y N -3.820 116.641 120.300 0.268 0.000 3.056 174 Y HA -0.173 4.474 4.550 0.163 0.000 0.294 174 Y C 0.544 176.529 175.900 0.142 0.000 1.275 174 Y CA 1.731 59.939 58.100 0.180 0.000 1.148 174 Y CB 2.180 40.753 38.460 0.189 0.000 1.085 174 Y HN -0.195 8.326 8.280 0.402 0.000 0.747 175 Q N -6.634 113.267 119.800 0.169 0.000 2.643 175 Q HA -0.248 4.150 4.340 0.097 0.000 0.158 175 Q C -0.571 175.538 176.000 0.182 0.000 0.572 175 Q CA 0.864 56.768 55.803 0.168 0.000 1.285 175 Q CB -0.349 28.544 28.738 0.257 0.000 0.892 175 Q HN 0.052 8.457 8.270 0.225 0.000 1.128 176 I N 0.015 120.674 120.570 0.147 0.000 2.322 176 I HA -0.107 4.135 4.170 0.119 0.000 0.292 176 I C -0.278 175.883 176.117 0.074 0.000 1.060 176 I CA -1.797 59.561 61.300 0.096 0.000 1.309 176 I CB -1.586 36.444 38.000 0.050 0.000 1.415 176 I HN -0.205 8.394 8.210 0.150 -0.299 0.492 177 K N 7.488 127.934 120.400 0.076 0.000 2.090 177 K HA 0.359 4.703 4.320 0.040 0.000 0.249 177 K C -0.975 175.654 176.600 0.049 0.000 0.995 177 K CA -3.622 52.696 56.287 0.051 0.000 0.914 177 K CB -0.660 31.866 32.500 0.044 0.000 1.057 177 K HN -0.635 7.675 8.250 0.101 0.000 0.462 178 P HA -0.229 4.207 4.420 0.025 0.000 0.219 178 P C -0.565 176.756 177.300 0.036 0.000 1.146 178 P CA 2.210 65.323 63.100 0.022 0.000 0.808 178 P CB 0.246 31.945 31.700 -0.002 0.000 0.779 179 K N -4.250 116.181 120.400 0.052 0.000 2.684 179 K HA 0.386 4.937 4.320 0.065 -0.192 0.215 179 K C -0.903 175.809 176.600 0.187 0.000 1.073 179 K CA -1.148 55.197 56.287 0.098 0.000 1.197 179 K CB -0.939 31.609 32.500 0.080 0.000 0.955 179 K HN 0.114 8.361 8.250 0.048 0.032 0.473 180 M N -3.113 116.575 119.600 0.147 0.000 2.622 180 M HA 0.786 5.534 4.480 0.120 -0.195 0.276 180 M C -2.183 174.200 176.300 0.138 0.000 1.265 180 M CA -0.619 54.738 55.300 0.096 0.000 0.850 180 M CB 4.220 36.830 32.600 0.016 0.000 1.720 180 M HN -0.560 7.723 8.290 0.117 0.077 0.465 181 F N -7.301 112.606 119.950 -0.071 0.000 2.685 181 F HA 0.685 5.155 4.527 -0.095 0.000 0.315 181 F C -2.413 173.309 175.800 -0.130 0.000 1.126 181 F CA -2.219 55.715 58.000 -0.109 0.000 0.950 181 F CB 2.399 41.320 39.000 -0.132 0.000 1.360 181 F HN 0.121 8.163 8.300 -0.429 0.000 0.469 182 c N -1.154 117.462 118.600 0.027 0.000 2.454 182 c HA 1.060 5.744 4.570 -0.169 -0.216 0.336 182 c C -1.147 172.967 174.090 0.039 0.000 1.189 182 c CA -1.710 54.589 56.329 -0.049 0.000 1.877 182 c CB 2.824 45.332 42.510 -0.003 0.000 2.348 182 c HN 0.790 9.116 8.230 0.159 0.000 0.508 183 A N 1.706 124.535 122.820 0.015 0.000 2.429 183 A HA 0.781 5.248 4.320 -0.008 -0.151 0.289 183 A C -2.400 175.211 177.584 0.045 0.000 1.043 183 A CA -0.663 51.363 52.037 -0.018 0.000 0.722 183 A CB 3.115 21.964 19.000 -0.251 0.000 1.243 183 A HN 0.849 9.038 8.150 0.066 0.000 0.415 184 Y N 2.712 123.078 120.300 0.110 0.000 2.313 184 Y HA 0.130 4.740 4.550 0.099 0.000 0.332 184 Y C -1.389 174.579 175.900 0.113 0.000 1.071 184 Y CA -2.131 56.028 58.100 0.097 0.000 1.169 184 Y CB 0.840 39.341 38.460 0.068 0.000 1.192 184 Y HN 0.503 8.934 8.280 0.252 0.000 0.487 185 P HA -0.144 4.442 4.420 0.277 0.000 0.301 185 P C -0.954 176.405 177.300 0.099 0.000 1.445 185 P CA 0.730 63.965 63.100 0.225 0.000 0.741 185 P CB -1.824 30.033 31.700 0.262 0.000 1.426 190 A N -1.167 121.717 122.820 0.108 0.000 2.246 190 A HA 0.192 4.560 4.320 0.080 0.000 0.291 190 A C -1.814 175.800 177.584 0.049 0.000 1.103 190 A CA -0.716 51.368 52.037 0.078 0.000 0.844 190 A CB 1.856 20.895 19.000 0.066 0.000 1.136 190 A HN 0.274 8.493 8.150 0.114 0.000 0.500 191 c N -3.153 115.473 118.600 0.042 0.000 3.293 191 c HA 0.214 4.819 4.570 0.059 0.000 0.362 191 c C -1.588 172.522 174.090 0.033 0.000 1.539 191 c CA -0.675 55.681 56.329 0.044 0.000 1.201 191 c CB 3.393 45.927 42.510 0.041 0.000 1.770 191 c HN 0.072 8.597 8.230 0.045 -0.268 0.440 192 Q N 2.117 121.918 119.800 0.002 0.000 2.269 192 Q HA -0.329 4.025 4.340 0.023 0.000 0.300 192 Q C 0.683 176.700 176.000 0.029 0.000 1.070 192 Q CA 2.201 57.995 55.803 -0.016 0.000 0.957 192 Q CB 0.514 29.165 28.738 -0.145 0.000 1.131 192 Q HN 0.495 8.759 8.270 -0.010 0.000 0.377 193 G N 5.973 114.821 108.800 0.081 0.000 2.213 193 G HA2 -0.392 3.668 3.960 0.167 0.000 0.226 193 G HA3 -0.392 3.690 3.960 0.204 0.000 0.226 193 G C 0.354 175.413 174.900 0.264 0.000 0.992 193 G CA 0.821 46.033 45.100 0.186 0.000 0.632 193 G HN 0.858 9.190 8.290 0.070 0.000 0.511 194 D N 0.374 120.869 120.400 0.158 0.000 2.360 194 D HA 0.150 4.925 4.640 0.225 0.000 0.210 194 D C 0.037 176.401 176.300 0.107 0.000 1.047 194 D CA 0.383 54.475 54.000 0.153 0.000 0.854 194 D CB 0.793 41.649 40.800 0.094 0.000 0.936 194 D HN 0.125 8.485 8.370 0.107 0.074 0.514 195 S N -0.476 115.269 115.700 0.075 0.000 2.593 195 S HA -0.550 4.069 4.470 0.032 -0.130 0.300 195 S C 0.966 175.539 174.600 -0.045 0.000 1.267 195 S CA 2.735 60.951 58.200 0.027 0.000 1.065 195 S CB 0.075 63.319 63.200 0.073 0.000 0.807 195 S HN -0.264 8.051 8.310 0.090 0.050 0.499 196 G N 5.074 113.836 108.800 -0.063 0.000 2.268 196 G HA2 -0.438 3.552 3.960 -0.069 0.000 0.240 196 G HA3 -0.438 3.597 3.960 -0.067 -0.115 0.240 196 G C -0.109 174.834 174.900 0.071 0.000 1.010 196 G CA 0.054 45.130 45.100 -0.039 0.000 0.618 196 G HN 0.921 9.072 8.290 -0.055 0.106 0.516 197 G N 1.231 110.096 108.800 0.109 0.000 2.651 197 G HA2 0.246 4.388 3.960 0.190 0.000 0.260 197 G HA3 0.246 4.305 3.960 0.165 0.000 0.260 197 G C -2.538 172.476 174.900 0.190 0.000 1.216 197 G CA -1.824 43.376 45.100 0.165 0.000 0.913 197 G HN -0.293 7.946 8.290 0.088 0.104 0.535 198 P HA 0.152 4.697 4.420 0.208 0.000 0.279 198 P C -1.964 175.456 177.300 0.200 0.000 1.239 198 P CA -0.589 62.633 63.100 0.203 0.000 0.789 198 P CB 1.065 32.906 31.700 0.234 0.000 0.933 199 F N 4.614 124.595 119.950 0.051 0.000 2.513 199 F HA 0.656 5.314 4.527 -0.085 -0.182 0.358 199 F C -2.483 173.297 175.800 -0.033 0.000 1.118 199 F CA -2.173 55.799 58.000 -0.046 0.000 1.037 199 F CB 2.708 41.615 39.000 -0.156 0.000 1.276 199 F HN -0.405 8.055 8.300 0.266 0.000 0.446 200 V N 2.922 122.590 119.914 -0.411 0.000 2.628 200 V HA 0.922 5.114 4.120 -0.169 -0.173 0.306 200 V C -1.986 173.904 176.094 -0.341 0.000 1.045 200 V CA -3.148 58.994 62.300 -0.264 0.000 0.905 200 V CB 2.544 34.310 31.823 -0.095 0.000 0.997 200 V HN 0.624 8.505 8.190 -0.516 0.000 0.436 201 c N 4.551 123.032 118.600 -0.198 0.000 2.561 201 c HA 0.383 4.856 4.570 -0.163 0.000 0.319 201 c C -1.462 172.595 174.090 -0.054 0.000 1.198 201 c CA -0.939 55.306 56.329 -0.139 0.000 1.665 201 c CB 2.565 45.008 42.510 -0.111 0.000 2.258 201 c HN 0.648 8.792 8.230 -0.143 0.000 0.493 202 E N 1.904 122.094 120.200 -0.016 0.000 2.191 202 E HA 0.252 4.811 4.350 0.003 -0.207 0.274 202 E C -1.598 175.001 176.600 -0.002 0.000 0.948 202 E CA -1.019 55.387 56.400 0.010 0.000 0.802 202 E CB 2.482 32.212 29.700 0.049 0.000 1.137 202 E HN 0.504 8.853 8.360 -0.018 0.000 0.397 203 D N 3.410 123.809 120.400 -0.002 0.000 2.615 203 D HA 0.178 4.817 4.640 -0.002 0.000 0.267 203 D C -1.330 174.970 176.300 0.001 0.000 1.236 203 D CA -0.930 53.068 54.000 -0.004 0.000 0.839 203 D CB 2.329 43.122 40.800 -0.012 0.000 1.380 203 D HN -0.065 8.305 8.370 -0.001 0.000 0.433 204 S N -1.277 114.423 115.700 0.000 0.000 2.624 204 S HA 0.379 5.072 4.470 0.004 -0.220 0.246 204 S C 1.136 175.737 174.600 0.001 0.000 1.072 204 S CA -0.302 57.899 58.200 0.002 0.000 1.045 204 S CB 0.026 63.228 63.200 0.004 0.000 0.851 204 S HN 0.238 8.547 8.310 -0.001 0.000 0.480 205 I N -2.540 118.029 120.570 -0.001 0.000 2.756 205 I HA -0.110 4.059 4.170 -0.002 0.000 0.262 205 I C 0.011 176.128 176.117 0.000 0.000 1.225 205 I CA 2.347 63.646 61.300 -0.001 0.000 1.472 205 I CB -0.288 37.710 38.000 -0.003 0.000 1.094 205 I HN -0.414 8.059 8.210 -0.003 -0.265 0.454 206 S N -0.912 114.789 115.700 0.002 0.000 2.614 206 S HA -0.014 4.458 4.470 0.003 0.000 0.230 206 S C -0.201 174.401 174.600 0.004 0.000 0.952 206 S CA -0.421 57.781 58.200 0.003 0.000 0.949 206 S CB 1.135 64.339 63.200 0.006 0.000 0.786 206 S HN -0.340 7.933 8.310 0.002 0.039 0.478 207 R N -2.898 117.604 120.500 0.003 0.000 3.936 207 R HA -0.414 3.980 4.340 0.002 -0.053 0.366 207 R C -1.593 174.709 176.300 0.005 0.000 1.158 207 R CA 1.351 57.453 56.100 0.003 0.000 0.969 207 R CB -2.049 28.252 30.300 0.002 0.000 1.504 207 R HN -0.224 7.828 8.270 0.002 0.219 0.538 208 R N -7.003 113.391 120.500 -0.177 0.000 4.162 208 R HA 0.050 4.415 4.340 -0.206 -0.148 0.260 208 R C -3.291 172.919 176.300 -0.151 0.000 0.964 208 R CA -0.429 55.575 56.100 -0.161 0.000 1.072 208 R CB 1.569 31.825 30.300 -0.073 0.000 1.259 208 R HN -0.120 8.076 8.270 -0.123 0.000 0.593 209 L N 1.881 123.027 121.223 -0.127 0.000 2.363 209 L HA 0.203 4.632 4.340 -0.050 -0.119 0.286 209 L C -0.344 176.564 176.870 0.063 0.000 1.106 209 L CA -0.214 54.601 54.840 -0.042 0.000 0.859 209 L CB -0.000 42.035 42.059 -0.040 0.000 1.223 209 L HN 0.204 8.356 8.230 -0.130 0.000 0.446 210 C N 5.767 125.155 119.300 0.146 0.000 2.590 210 C HA 0.185 4.718 4.460 0.122 0.000 0.272 210 C C -0.348 174.871 174.990 0.382 0.000 1.338 210 C CA 0.573 59.716 59.018 0.210 0.000 1.746 210 C CB 1.034 28.885 27.740 0.184 0.000 2.020 210 C HN 0.365 8.680 8.230 0.140 0.000 0.531 211 G N -2.253 106.839 108.800 0.486 0.000 2.690 211 G HA2 0.571 5.009 3.960 0.416 0.000 0.291 211 G HA3 0.571 4.762 3.960 0.386 0.000 0.291 211 G C -3.311 171.784 174.900 0.325 0.000 1.403 211 G CA -0.497 44.863 45.100 0.432 0.000 0.864 211 G HN -0.473 8.098 8.290 0.469 0.000 0.480 212 I N -0.917 119.792 120.570 0.233 0.000 2.466 212 I HA 0.512 4.994 4.170 0.199 -0.192 0.289 212 I C -0.413 175.765 176.117 0.103 0.000 1.026 212 I CA -1.328 60.065 61.300 0.155 0.000 1.078 212 I CB 3.918 41.935 38.000 0.028 0.000 1.249 212 I HN -0.374 8.011 8.210 0.168 -0.075 0.429 213 V N 8.885 128.862 119.914 0.106 0.000 2.475 213 V HA -0.235 3.474 4.120 -0.685 0.000 0.292 213 V C -0.839 175.139 176.094 -0.193 0.000 1.003 213 V CA 2.259 64.443 62.300 -0.192 0.000 1.120 213 V CB -0.949 30.852 31.823 -0.037 0.000 0.937 213 V HN 0.460 8.758 8.190 0.180 0.000 0.476 214 S N 8.133 123.628 115.700 -0.340 0.000 2.979 214 S HA 0.277 4.805 4.470 0.097 0.000 0.243 214 S C -1.343 173.306 174.600 0.082 0.000 1.036 214 S CA 0.606 58.777 58.200 -0.048 0.000 0.846 214 S CB 2.561 65.734 63.200 -0.045 0.000 0.806 214 S HN 0.003 7.889 8.310 -0.707 0.000 0.568 215 W N -3.571 117.544 121.300 -0.308 0.000 2.826 215 W HA 0.239 4.781 4.660 -0.197 0.000 0.410 215 W C -2.905 173.457 176.519 -0.261 0.000 1.128 215 W CA -0.576 56.617 57.345 -0.253 0.000 1.176 215 W CB 1.809 31.121 29.460 -0.247 0.000 1.475 215 W HN 0.043 7.861 8.180 -0.603 0.000 0.588 216 G N -2.617 106.268 108.800 0.141 0.000 2.338 216 G HA2 0.242 4.017 3.960 -0.308 0.000 0.295 216 G HA3 0.242 4.169 3.960 -0.056 0.000 0.295 216 G C -2.127 172.959 174.900 0.310 0.000 1.461 216 G CA 0.306 45.420 45.100 0.023 0.000 0.817 216 G HN 0.068 8.631 8.290 0.454 0.000 0.556 220 c N 2.055 120.672 118.600 0.030 0.000 3.319 220 c HA 0.243 5.000 4.570 0.079 -0.140 0.200 220 c C -1.787 172.334 174.090 0.051 0.000 1.332 220 c CA -0.596 55.784 56.329 0.085 0.000 1.170 220 c CB -1.341 41.253 42.510 0.139 0.000 1.855 220 c HN 0.019 8.224 8.230 -0.042 0.000 0.593 221 L N -0.147 121.075 121.223 -0.001 0.000 3.089 221 L HA 0.053 4.373 4.340 -0.033 0.000 0.235 221 L C -1.990 174.848 176.870 -0.053 0.000 0.991 221 L CA 0.201 55.017 54.840 -0.040 0.000 1.052 221 L CB 2.380 44.394 42.059 -0.075 0.000 1.489 221 L HN 0.202 8.433 8.230 0.002 0.000 0.414 222 A N -0.659 122.115 122.820 -0.077 0.000 2.407 222 A HA 0.051 4.414 4.320 -0.048 -0.072 0.248 222 A C -0.146 177.296 177.584 -0.236 0.000 1.082 222 A CA 0.984 52.959 52.037 -0.103 0.000 0.785 222 A CB 0.328 19.273 19.000 -0.092 0.000 1.020 222 A HN 0.240 8.346 8.150 -0.073 0.000 0.489 223 Q N -3.687 115.902 119.800 -0.352 0.000 2.452 223 Q HA -0.453 3.097 4.340 -1.316 0.000 0.248 223 Q C -0.800 174.812 176.000 -0.647 0.000 0.874 223 Q CA 1.668 56.946 55.803 -0.875 0.000 1.208 223 Q CB -1.510 26.638 28.738 -0.983 0.000 1.569 223 Q HN 0.205 8.238 8.270 -0.213 0.110 0.579 224 K N -2.818 117.393 120.400 -0.315 0.000 3.029 224 K HA 0.527 4.405 4.320 -0.737 0.000 0.169 224 K C -2.377 174.247 176.600 0.040 0.000 1.090 224 K CA -2.867 53.234 56.287 -0.309 0.000 0.883 224 K CB 0.419 32.787 32.500 -0.221 0.000 1.080 224 K HN -0.810 7.262 8.250 -0.197 0.060 0.613 225 P HA -0.035 4.471 4.420 0.143 0.000 0.274 225 P C -0.585 176.792 177.300 0.129 0.000 1.260 225 P CA -0.280 62.936 63.100 0.193 0.000 0.793 225 P CB 1.189 33.026 31.700 0.228 0.000 1.048 226 G N -2.506 106.315 108.800 0.035 0.000 2.476 226 G HA2 0.361 4.157 3.960 -0.273 0.000 0.269 226 G HA3 0.361 4.276 3.960 -0.188 -0.068 0.269 226 G C -1.849 172.792 174.900 -0.432 0.000 1.195 226 G CA -0.810 44.162 45.100 -0.213 0.000 0.843 226 G HN -0.230 8.123 8.290 0.104 0.000 0.545 227 V N 2.257 121.616 119.914 -0.926 0.000 2.513 227 V HA 0.768 4.664 4.120 -0.696 -0.193 0.299 227 V C -0.883 174.531 176.094 -1.133 0.000 1.035 227 V CA -1.084 60.587 62.300 -1.047 0.000 0.889 227 V CB 1.929 32.701 31.823 -1.752 0.000 0.988 227 V HN 0.680 8.268 8.190 -1.003 0.000 0.440 228 Y N 4.776 124.531 120.300 -0.909 0.000 2.570 228 Y HA 0.649 5.035 4.550 -0.517 -0.147 0.345 228 Y C 0.313 175.861 175.900 -0.586 0.000 1.014 228 Y CA -2.293 55.317 58.100 -0.817 0.000 1.063 228 Y CB 3.965 41.648 38.460 -1.295 0.000 1.272 228 Y HN 1.149 8.867 8.280 -0.760 0.106 0.477 229 T N 4.052 118.514 114.554 -0.153 0.000 2.907 229 T HA 0.017 4.378 4.350 0.019 0.000 0.298 229 T C -1.176 173.633 174.700 0.182 0.000 1.017 229 T CA 1.243 63.337 62.100 -0.010 0.000 1.118 229 T CB 0.840 69.640 68.868 -0.113 0.000 0.948 229 T HN 0.509 8.677 8.240 -0.120 0.000 0.531 230 K N 6.826 127.440 120.400 0.357 0.000 2.263 230 K HA 0.123 4.951 4.320 0.635 -0.127 0.282 230 K C 1.184 178.031 176.600 0.412 0.000 1.089 230 K CA -0.783 55.777 56.287 0.455 0.000 0.907 230 K CB 0.559 33.272 32.500 0.354 0.000 1.148 230 K HN -0.054 8.414 8.250 0.363 0.000 0.470 231 V N 7.374 127.487 119.914 0.332 0.000 2.392 231 V HA -0.548 3.791 4.120 0.365 0.000 0.249 231 V C 1.396 177.632 176.094 0.236 0.000 1.059 231 V CA 3.842 66.315 62.300 0.289 0.000 1.051 231 V CB -0.170 31.760 31.823 0.179 0.000 0.658 231 V HN 0.157 8.549 8.190 0.337 0.000 0.455 232 S N -0.591 115.191 115.700 0.137 0.000 2.387 232 S HA -0.373 4.131 4.470 0.057 0.000 0.230 232 S C 1.693 176.304 174.600 0.018 0.000 1.035 232 S CA 3.393 61.629 58.200 0.061 0.000 1.014 232 S CB -0.670 62.541 63.200 0.019 0.000 0.836 232 S HN 0.367 8.753 8.310 0.127 0.000 0.466 233 D N 1.102 121.482 120.400 -0.034 0.000 2.378 233 D HA -0.149 4.365 4.640 -0.209 0.000 0.222 233 D C 0.231 176.206 176.300 -0.541 0.000 0.980 233 D CA 2.148 55.964 54.000 -0.306 0.000 0.907 233 D CB -0.382 40.121 40.800 -0.495 0.000 0.899 233 D HN -0.447 7.936 8.370 0.048 0.017 0.527 234 F N -3.398 116.578 119.950 0.043 0.000 2.688 234 F HA 0.173 4.785 4.527 0.143 0.000 0.310 234 F C 0.269 176.114 175.800 0.074 0.000 1.098 234 F CA -0.482 57.575 58.000 0.095 0.000 1.228 234 F CB 0.167 39.201 39.000 0.056 0.000 1.042 234 F HN -0.118 8.089 8.300 0.181 0.201 0.557 235 R N 0.982 121.535 120.500 0.088 0.000 2.115 235 R HA -0.500 3.659 4.340 -0.301 0.000 0.239 235 R C 1.590 177.760 176.300 -0.217 0.000 1.133 235 R CA 4.913 60.928 56.100 -0.142 0.000 0.935 235 R CB -0.548 29.746 30.300 -0.010 0.000 0.853 235 R HN -0.755 7.558 8.270 0.072 0.000 0.433 236 E N -2.376 117.869 120.200 0.074 0.000 2.110 236 E HA -0.240 4.307 4.350 0.328 0.000 0.193 236 E C 1.692 178.374 176.600 0.136 0.000 0.988 236 E CA 2.933 59.438 56.400 0.175 0.000 0.804 236 E CB -1.006 28.790 29.700 0.160 0.000 0.745 236 E HN 0.326 8.743 8.360 0.094 0.000 0.458 237 W N -0.773 120.536 121.300 0.015 0.000 2.358 237 W HA -0.259 4.411 4.660 0.017 0.000 0.303 237 W C 1.728 178.216 176.519 -0.051 0.000 1.208 237 W CA 3.172 60.534 57.345 0.029 0.000 1.274 237 W CB 0.161 29.725 29.460 0.174 0.000 1.138 237 W HN -0.421 7.862 8.180 0.334 0.098 0.515 238 I N -1.041 119.553 120.570 0.040 0.000 2.202 238 I HA -0.644 3.324 4.170 -0.336 0.000 0.242 238 I C 1.956 177.859 176.117 -0.357 0.000 1.091 238 I CA 4.463 65.611 61.300 -0.254 0.000 1.368 238 I CB -0.165 37.680 38.000 -0.257 0.000 1.058 238 I HN 0.052 8.275 8.210 0.175 0.092 0.410 239 F N -1.552 118.316 119.950 -0.137 0.000 2.095 239 F HA -0.456 3.948 4.527 -0.204 0.000 0.298 239 F C 2.374 178.034 175.800 -0.234 0.000 1.104 239 F CA 2.751 60.647 58.000 -0.172 0.000 1.232 239 F CB -1.263 37.681 39.000 -0.093 0.000 0.987 239 F HN -0.149 7.837 8.300 -0.523 0.000 0.475 240 Q N -0.075 119.692 119.800 -0.055 0.000 2.020 240 Q HA -0.481 3.790 4.340 -0.114 0.000 0.202 240 Q C 1.911 177.729 176.000 -0.303 0.000 0.982 240 Q CA 3.377 59.081 55.803 -0.165 0.000 0.838 240 Q CB 0.108 28.749 28.738 -0.163 0.000 0.899 240 Q HN -0.027 8.236 8.270 -0.012 0.000 0.423 241 A N 0.506 123.039 122.820 -0.478 0.000 1.892 241 A HA -0.259 4.027 4.320 -0.262 -0.124 0.218 241 A C 2.444 179.801 177.584 -0.378 0.000 1.188 241 A CA 3.077 54.830 52.037 -0.473 0.000 0.631 241 A CB -0.695 17.766 19.000 -0.898 0.000 0.822 241 A HN 0.040 7.842 8.150 -0.579 0.000 0.447 242 I N -2.950 117.295 120.570 -0.541 0.000 2.315 242 I HA -0.577 3.078 4.170 -0.858 0.000 0.248 242 I C 1.940 177.896 176.117 -0.268 0.000 1.117 242 I CA 4.023 64.933 61.300 -0.650 0.000 1.404 242 I CB -0.368 37.122 38.000 -0.850 0.000 1.071 242 I HN -0.254 7.637 8.210 -0.532 0.000 0.419 243 K N 0.261 120.533 120.400 -0.214 0.000 2.007 243 K HA -0.302 3.963 4.320 -0.092 0.000 0.206 243 K C 2.811 179.313 176.600 -0.163 0.000 1.047 243 K CA 3.699 59.903 56.287 -0.138 0.000 0.937 243 K CB -0.037 32.392 32.500 -0.117 0.000 0.718 243 K HN -0.387 7.641 8.250 -0.230 0.084 0.438 244 T N 0.613 115.007 114.554 -0.266 0.000 2.684 244 T HA -0.289 3.874 4.350 -0.312 0.000 0.267 244 T C 1.738 176.146 174.700 -0.487 0.000 1.036 244 T CA 4.114 65.951 62.100 -0.439 0.000 1.148 244 T CB 0.213 68.675 68.868 -0.678 0.000 0.863 244 T HN 0.210 8.287 8.240 -0.273 0.000 0.436 245 H N -1.931 117.108 119.070 -0.052 0.000 2.505 245 H HA 0.383 4.951 4.556 0.019 0.000 0.289 245 H C 0.775 176.168 175.328 0.109 0.000 1.052 245 H CA -1.286 54.778 56.048 0.026 0.000 1.156 245 H CB -0.349 29.427 29.762 0.023 0.000 1.507 245 H HN -0.063 8.077 8.280 -0.234 0.000 0.548 246 S N 0.521 116.327 115.700 0.177 0.000 2.420 246 S HA -0.338 4.230 4.470 0.163 0.000 0.237 246 S C -0.019 174.704 174.600 0.205 0.000 1.023 246 S CA 4.383 62.694 58.200 0.184 0.000 0.991 246 S CB 0.151 63.456 63.200 0.175 0.000 0.792 246 S HN -0.389 7.971 8.310 0.082 0.000 0.488 247 E N -2.958 117.338 120.200 0.160 0.000 2.501 247 E HA 0.066 4.504 4.350 0.147 0.000 0.200 247 E C -1.033 175.643 176.600 0.126 0.000 1.016 247 E CA -1.275 55.205 56.400 0.133 0.000 0.921 247 E CB -0.628 29.121 29.700 0.082 0.000 1.034 247 E HN 0.044 8.433 8.360 0.131 0.049 0.468 248 A N 1.417 124.335 122.820 0.163 0.000 2.287 248 A HA 0.034 4.418 4.320 0.105 0.000 0.273 248 A C -1.442 176.200 177.584 0.096 0.000 1.091 248 A CA 0.157 52.273 52.037 0.131 0.000 0.817 248 A CB 0.795 19.892 19.000 0.162 0.000 1.069 248 A HN -0.344 7.740 8.150 0.202 0.187 0.492 249 S N 1.111 116.845 115.700 0.056 0.000 2.549 249 S HA 0.311 4.966 4.470 0.024 -0.170 0.280 249 S C -0.317 174.293 174.600 0.017 0.000 1.109 249 S CA -0.992 57.225 58.200 0.029 0.000 0.905 249 S CB 1.760 64.972 63.200 0.020 0.000 1.081 249 S HN -0.081 8.260 8.310 0.052 0.000 0.477 250 G N 6.274 115.078 108.800 0.007 0.000 2.548 250 G HA2 -0.220 3.745 3.960 0.009 0.000 0.208 250 G HA3 -0.220 3.746 3.960 0.011 0.000 0.208 250 G C -2.151 172.745 174.900 -0.006 0.000 1.308 250 G CA -0.488 44.616 45.100 0.005 0.000 0.924 250 G HN 0.601 8.892 8.290 0.001 0.000 0.540 251 M N 0.446 120.052 119.600 0.009 0.000 2.113 251 M HA 0.626 5.292 4.480 0.015 -0.178 0.352 251 M C 0.124 176.424 176.300 0.001 0.000 1.170 251 M CA -1.694 53.629 55.300 0.038 0.000 1.053 251 M CB -0.162 32.509 32.600 0.119 0.000 1.601 251 M HN -0.065 8.237 8.290 0.020 0.000 0.459 252 V N 4.541 124.407 119.914 -0.081 0.000 3.102 252 V HA 0.766 4.794 4.120 -0.154 0.000 0.312 252 V C -2.250 173.613 176.094 -0.386 0.000 1.135 252 V CA -2.403 59.765 62.300 -0.220 0.000 1.022 252 V CB 4.367 35.979 31.823 -0.352 0.000 1.056 252 V HN 0.792 8.947 8.190 -0.058 0.000 0.436 253 T N -0.102 114.199 114.554 -0.421 0.000 2.876 253 T HA 0.723 4.896 4.350 -0.660 -0.219 0.289 253 T C -1.466 173.113 174.700 -0.202 0.000 1.014 253 T CA -2.426 59.359 62.100 -0.526 0.000 0.986 253 T CB 2.223 70.715 68.868 -0.627 0.000 1.021 253 T HN -0.043 8.021 8.240 -0.293 0.000 0.458 254 Q N 4.758 124.538 119.800 -0.033 0.000 2.397 254 Q HA 0.410 4.770 4.340 0.033 0.000 0.275 254 Q C -2.393 173.731 176.000 0.206 0.000 1.090 254 Q CA -1.496 54.342 55.803 0.058 0.000 0.809 254 Q CB 3.718 32.365 28.738 -0.152 0.000 1.362 254 Q HN 0.430 8.733 8.270 0.055 0.000 0.431 255 L N 0.000 121.313 121.223 0.150 0.000 2.949 255 L HA 0.000 4.327 4.340 -0.022 0.000 0.249 255 L CA 0.000 54.923 54.840 0.139 0.000 0.813 255 L CB 0.000 42.157 42.059 0.164 0.000 0.961 255 L HN 0.000 8.294 8.230 0.107 0.000 0.502