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 1gxz_1_B DATA FIRST_RESID 4 DATA SEQUENCE PLMLDTAPNA FDDQYEGcVN KMEEKAPLLL QEDFNMNAKL KVAWEEAKKR DATA SEQUENCE WNNIKPSRSY PKGFNDFHGT ALVAYTGSIA VDFNRAVREF KENPGQFHYK DATA SEQUENCE AFHYYLTRAL QLLSNGDcHS VYRGTKTRFH YTGAGSVRFG QFTSSSLSKK DATA SEQUENCE VAQSQEFFSD HGTLFIIKTc LGVYIKEFSF RPDQEEVLIP GYEVYQKVRT DATA SEQUENCE QGYNEIFLDS PKRKKSNYNc LYS 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 4 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 4 P C 0.000 177.150 177.300 -0.249 0.000 1.155 4 P CA 0.000 62.926 63.100 -0.289 0.000 0.800 4 P CB 0.000 31.479 31.700 -0.369 0.000 0.726 5 L N 2.214 123.219 121.223 -0.364 0.000 2.343 5 L HA 0.565 4.904 4.340 -0.002 0.000 0.275 5 L C 0.576 177.449 176.870 0.004 0.000 1.056 5 L CA -0.987 53.725 54.840 -0.212 0.000 0.804 5 L CB 1.037 42.885 42.059 -0.353 0.000 1.203 5 L HN 0.281 8.511 8.230 -0.000 0.000 0.440 6 M N 3.525 123.195 119.600 0.116 0.000 2.188 6 M HA 0.371 4.850 4.480 -0.002 0.000 0.357 6 M C -0.242 176.222 176.300 0.275 0.000 1.204 6 M CA -0.403 55.012 55.300 0.192 0.000 1.095 6 M CB 1.142 33.816 32.600 0.122 0.000 1.604 6 M HN 0.427 8.717 8.290 -0.000 0.000 0.464 7 L N 3.738 125.155 121.223 0.323 0.000 2.452 7 L HA 0.182 4.520 4.340 -0.002 0.000 0.267 7 L C 0.278 177.253 176.870 0.174 0.000 1.188 7 L CA 0.196 55.202 54.840 0.277 0.000 0.821 7 L CB 0.395 42.638 42.059 0.307 0.000 1.102 7 L HN 0.767 8.997 8.230 -0.000 0.000 0.470 8 D N -1.635 118.829 120.400 0.106 0.000 3.309 8 D HA 0.131 4.770 4.640 -0.002 0.000 0.335 8 D C 0.041 176.354 176.300 0.021 0.000 1.393 8 D CA -0.130 53.913 54.000 0.073 0.000 0.963 8 D CB 0.676 41.520 40.800 0.073 0.000 1.431 8 D HN 0.389 8.759 8.370 -0.000 0.000 0.583 9 T N -3.081 111.482 114.554 0.015 0.000 3.223 9 T HA 0.541 4.890 4.350 -0.002 0.000 0.259 9 T C 0.905 175.602 174.700 -0.005 0.000 1.015 9 T CA 0.164 62.255 62.100 -0.015 0.000 0.908 9 T CB -0.726 68.132 68.868 -0.017 0.000 1.054 9 T HN 1.403 9.643 8.240 -0.000 0.000 0.567 10 A N 2.999 125.833 122.820 0.022 0.000 2.466 10 A HA -0.085 4.234 4.320 -0.002 0.000 0.295 10 A C -0.324 177.293 177.584 0.056 0.000 1.465 10 A CA 0.493 52.562 52.037 0.054 0.000 0.744 10 A CB -1.710 17.323 19.000 0.056 0.000 1.098 10 A HN 0.542 8.692 8.150 -0.000 0.000 0.402 11 P HA -0.138 4.282 4.420 -0.000 0.000 0.222 11 P C 0.812 178.168 177.300 0.095 0.000 1.147 11 P CA 1.325 64.452 63.100 0.044 0.000 0.790 11 P CB -0.007 31.710 31.700 0.029 0.000 0.780 12 N N -0.327 118.451 118.700 0.129 0.000 2.280 12 N HA 0.117 4.856 4.740 -0.002 0.000 0.192 12 N C 0.784 176.450 175.510 0.260 0.000 1.109 12 N CA 0.060 53.225 53.050 0.192 0.000 0.855 12 N CB 0.191 38.767 38.487 0.149 0.000 0.974 12 N HN 0.124 8.504 8.380 -0.000 0.000 0.482 13 A N 0.848 123.793 122.820 0.208 0.000 2.354 13 A HA 0.307 4.626 4.320 -0.002 0.000 0.269 13 A C -0.450 177.233 177.584 0.166 0.000 1.109 13 A CA -0.433 51.716 52.037 0.186 0.000 0.800 13 A CB 0.088 19.162 19.000 0.124 0.000 1.045 13 A HN 0.158 8.308 8.150 -0.000 0.000 0.489 14 F N 2.867 122.681 119.950 -0.228 0.000 2.502 14 F HA 0.305 4.831 4.527 -0.002 0.000 0.371 14 F C 0.293 175.929 175.800 -0.273 0.000 1.083 14 F CA -0.619 56.951 58.000 -0.716 0.000 1.174 14 F CB 0.774 38.901 39.000 -1.455 0.000 1.096 14 F HN 0.608 8.908 8.300 -0.000 0.000 0.545 15 D N 2.480 122.557 120.400 -0.538 0.000 2.599 15 D HA 0.053 4.692 4.640 -0.002 0.000 0.249 15 D C -0.210 175.832 176.300 -0.430 0.000 1.313 15 D CA -0.390 53.436 54.000 -0.291 0.000 0.815 15 D CB -0.748 39.995 40.800 -0.094 0.000 1.077 15 D HN 0.282 8.652 8.370 -0.000 0.000 0.492 16 D N 1.240 121.071 120.400 -0.948 0.000 2.586 16 D HA -0.070 4.569 4.640 -0.002 0.000 0.234 16 D C 0.611 176.468 176.300 -0.738 0.000 1.132 16 D CA 0.636 54.059 54.000 -0.961 0.000 0.860 16 D CB 1.035 40.978 40.800 -1.428 0.000 1.159 16 D HN 0.263 8.633 8.370 -0.000 0.000 0.490 17 Q N 2.210 121.579 119.800 -0.718 0.000 2.281 17 Q HA 0.002 4.340 4.340 -0.002 0.000 0.215 17 Q C -0.277 175.595 176.000 -0.214 0.000 0.867 17 Q CA -0.285 55.184 55.803 -0.556 0.000 0.940 17 Q CB 0.487 28.775 28.738 -0.751 0.000 1.111 17 Q HN 0.579 8.849 8.270 -0.000 0.000 0.513 18 Y N 0.793 121.054 120.300 -0.065 0.000 3.389 18 Y HA -0.246 4.303 4.550 -0.002 0.000 0.213 18 Y C -0.637 175.256 175.900 -0.012 0.000 1.272 18 Y CA 0.291 58.407 58.100 0.026 0.000 1.444 18 Y CB -2.559 36.020 38.460 0.198 0.000 1.445 18 Y HN 0.157 8.437 8.280 -0.000 0.000 0.583 19 E N 0.724 120.911 120.200 -0.021 0.000 2.166 19 E HA 0.385 4.733 4.350 -0.002 0.000 0.279 19 E C 1.297 177.899 176.600 0.002 0.000 1.095 19 E CA 0.483 56.869 56.400 -0.022 0.000 0.888 19 E CB 0.752 30.401 29.700 -0.085 0.000 1.041 19 E HN 0.614 8.974 8.360 -0.000 0.000 0.414 20 G N 2.722 111.538 108.800 0.027 0.000 2.157 20 G HA2 -0.309 3.650 3.960 -0.002 0.000 0.239 20 G HA3 -0.309 3.650 3.960 -0.002 0.000 0.239 20 G C 0.641 175.562 174.900 0.034 0.000 0.982 20 G CA 0.069 45.181 45.100 0.021 0.000 0.650 20 G HN 0.729 9.020 8.290 -0.000 0.000 0.527 21 c N -1.508 117.131 118.600 0.065 0.000 3.359 21 c HA 0.711 5.280 4.570 -0.002 0.000 0.258 21 c C 1.986 176.095 174.090 0.031 0.000 1.840 21 c CA 0.299 56.656 56.329 0.048 0.000 1.746 21 c CB -0.703 41.843 42.510 0.060 0.000 3.306 21 c HN 0.250 8.480 8.230 -0.000 0.000 0.485 22 V N 2.800 122.759 119.914 0.076 0.000 2.255 22 V HA -0.263 3.855 4.120 -0.002 0.000 0.247 22 V C 2.553 178.655 176.094 0.015 0.000 1.051 22 V CA 3.035 65.392 62.300 0.095 0.000 1.018 22 V CB -0.706 31.202 31.823 0.141 0.000 0.641 22 V HN 0.707 8.897 8.190 -0.000 0.000 0.445 23 N N -0.293 118.419 118.700 0.020 0.000 2.166 23 N HA -0.240 4.499 4.740 -0.002 0.000 0.186 23 N C 1.873 177.353 175.510 -0.050 0.000 1.019 23 N CA 1.238 54.291 53.050 0.003 0.000 0.856 23 N CB -0.142 38.355 38.487 0.016 0.000 0.993 23 N HN 0.318 8.698 8.380 -0.000 0.000 0.426 24 K N 0.910 121.270 120.400 -0.066 0.000 2.097 24 K HA -0.000 4.318 4.320 -0.002 0.000 0.205 24 K C 1.811 178.297 176.600 -0.190 0.000 1.050 24 K CA 1.115 57.346 56.287 -0.093 0.000 0.938 24 K CB -0.002 32.461 32.500 -0.060 0.000 0.718 24 K HN 0.005 8.255 8.250 -0.000 0.000 0.442 25 M N 1.015 120.424 119.600 -0.318 0.000 2.175 25 M HA -0.061 4.417 4.480 -0.002 0.000 0.264 25 M C 1.652 177.571 176.300 -0.635 0.000 1.063 25 M CA 1.467 56.365 55.300 -0.670 0.000 1.119 25 M CB -0.802 30.962 32.600 -1.392 0.000 1.377 25 M HN 0.152 8.442 8.290 -0.000 0.000 0.415 26 E N 0.454 120.446 120.200 -0.346 0.000 2.153 26 E HA -0.215 4.133 4.350 -0.002 0.000 0.194 26 E C 1.822 178.339 176.600 -0.139 0.000 0.988 26 E CA 1.463 57.792 56.400 -0.119 0.000 0.811 26 E CB -0.278 29.452 29.700 0.050 0.000 0.746 26 E HN 0.759 9.119 8.360 -0.000 0.000 0.466 27 E N 1.351 121.469 120.200 -0.137 0.000 2.158 27 E HA -0.141 4.208 4.350 -0.002 0.000 0.191 27 E C 1.760 178.276 176.600 -0.140 0.000 0.982 27 E CA 1.137 57.473 56.400 -0.106 0.000 0.823 27 E CB -0.058 29.601 29.700 -0.069 0.000 0.766 27 E HN 0.191 8.551 8.360 -0.000 0.000 0.468 28 K N -0.174 120.113 120.400 -0.189 0.000 2.354 28 K HA 0.369 4.688 4.320 -0.002 0.000 0.194 28 K C 2.047 178.499 176.600 -0.247 0.000 1.045 28 K CA 0.460 56.638 56.287 -0.183 0.000 1.026 28 K CB 0.308 32.720 32.500 -0.146 0.000 0.866 28 K HN 0.099 8.349 8.250 -0.000 0.000 0.530 29 A N 2.523 125.126 122.820 -0.363 0.000 1.940 29 A HA -0.015 4.304 4.320 -0.002 0.000 0.219 29 A C -0.414 176.964 177.584 -0.345 0.000 1.176 29 A CA 1.050 52.814 52.037 -0.456 0.000 0.631 29 A CB -1.344 17.137 19.000 -0.865 0.000 0.814 29 A HN 0.281 8.431 8.150 -0.000 0.000 0.446 30 P HA -0.164 4.256 4.420 -0.000 0.000 0.215 30 P C 1.703 178.869 177.300 -0.223 0.000 1.157 30 P CA 1.019 63.947 63.100 -0.287 0.000 0.868 30 P CB -0.068 31.504 31.700 -0.214 0.000 0.788 31 L N -1.017 120.095 121.223 -0.185 0.000 2.017 31 L HA -0.133 4.206 4.340 -0.002 0.000 0.208 31 L C 2.217 178.967 176.870 -0.199 0.000 1.073 31 L CA 1.746 56.490 54.840 -0.161 0.000 0.745 31 L CB -1.403 40.584 42.059 -0.120 0.000 0.894 31 L HN -0.117 8.113 8.230 -0.000 0.000 0.432 32 L N -1.229 119.866 121.223 -0.213 0.000 2.042 32 L HA -0.247 4.091 4.340 -0.002 0.000 0.210 32 L C 2.522 179.220 176.870 -0.287 0.000 1.076 32 L CA 1.235 55.942 54.840 -0.222 0.000 0.749 32 L CB -0.623 41.308 42.059 -0.214 0.000 0.893 32 L HN 0.364 8.594 8.230 -0.000 0.000 0.432 33 L N -0.116 120.891 121.223 -0.360 0.000 2.083 33 L HA -0.268 4.070 4.340 -0.002 0.000 0.209 33 L C 2.596 178.954 176.870 -0.853 0.000 1.083 33 L CA 1.787 56.275 54.840 -0.588 0.000 0.752 33 L CB -0.560 41.132 42.059 -0.612 0.000 0.899 33 L HN 0.310 8.540 8.230 -0.000 0.000 0.433 34 Q N -0.681 118.779 119.800 -0.567 0.000 2.119 34 Q HA -0.235 4.104 4.340 -0.002 0.000 0.201 34 Q C 1.935 177.777 176.000 -0.264 0.000 0.972 34 Q CA 1.900 57.452 55.803 -0.419 0.000 0.847 34 Q CB -0.090 28.517 28.738 -0.218 0.000 0.903 34 Q HN 0.667 8.937 8.270 -0.000 0.000 0.433 35 E N 0.408 120.465 120.200 -0.238 0.000 2.106 35 E HA -0.168 4.180 4.350 -0.002 0.000 0.192 35 E C 1.714 178.207 176.600 -0.177 0.000 0.984 35 E CA 1.104 57.400 56.400 -0.173 0.000 0.806 35 E CB 0.059 29.666 29.700 -0.154 0.000 0.750 35 E HN 0.430 8.790 8.360 -0.000 0.000 0.458 36 D N 0.453 120.727 120.400 -0.210 0.000 2.104 36 D HA -0.154 4.484 4.640 -0.002 0.000 0.194 36 D C 1.762 178.037 176.300 -0.041 0.000 0.994 36 D CA 0.943 54.850 54.000 -0.156 0.000 0.830 36 D CB -0.234 40.476 40.800 -0.150 0.000 0.959 36 D HN 0.100 8.470 8.370 -0.000 0.000 0.452 37 F N 1.597 121.420 119.950 -0.212 0.000 2.126 37 F HA -0.119 4.407 4.527 -0.002 0.000 0.299 37 F C 2.182 177.876 175.800 -0.177 0.000 1.096 37 F CA 0.635 58.524 58.000 -0.184 0.000 1.255 37 F CB -1.222 37.688 39.000 -0.149 0.000 0.997 37 F HN -0.021 8.279 8.300 -0.000 0.000 0.479 38 N N -0.453 118.259 118.700 0.021 0.000 2.289 38 N HA -0.145 4.594 4.740 -0.002 0.000 0.184 38 N C 1.574 176.994 175.510 -0.149 0.000 1.016 38 N CA 1.002 54.016 53.050 -0.060 0.000 0.872 38 N CB -0.187 38.254 38.487 -0.078 0.000 0.973 38 N HN 0.193 8.573 8.380 -0.000 0.000 0.433 39 M N -0.928 118.516 119.600 -0.259 0.000 2.313 39 M HA 0.186 4.665 4.480 -0.002 0.000 0.273 39 M C -0.062 175.996 176.300 -0.403 0.000 1.049 39 M CA 0.153 55.164 55.300 -0.481 0.000 1.004 39 M CB -0.177 31.785 32.600 -1.062 0.000 1.461 39 M HN -0.101 8.189 8.290 -0.000 0.000 0.514 40 N N 0.769 119.334 118.700 -0.225 0.000 2.710 40 N HA 0.398 5.136 4.740 -0.002 0.000 0.244 40 N C 0.407 175.833 175.510 -0.140 0.000 1.321 40 N CA 0.162 53.108 53.050 -0.173 0.000 0.758 40 N CB 0.960 39.294 38.487 -0.255 0.000 1.284 40 N HN 0.068 8.448 8.380 -0.000 0.000 0.530 41 A N 2.473 125.224 122.820 -0.115 0.000 1.940 41 A HA -0.182 4.137 4.320 -0.002 0.000 0.219 41 A C 1.930 179.435 177.584 -0.132 0.000 1.176 41 A CA 1.467 53.434 52.037 -0.117 0.000 0.631 41 A CB -0.131 18.821 19.000 -0.081 0.000 0.814 41 A HN 0.629 8.779 8.150 -0.000 0.000 0.446 42 K N -0.857 119.485 120.400 -0.096 0.000 2.057 42 K HA -0.122 4.197 4.320 -0.002 0.000 0.207 42 K C 1.914 178.448 176.600 -0.110 0.000 1.049 42 K CA 1.377 57.618 56.287 -0.076 0.000 0.931 42 K CB -0.429 32.058 32.500 -0.022 0.000 0.714 42 K HN 0.397 8.647 8.250 -0.000 0.000 0.440 43 L N 2.123 123.265 121.223 -0.136 0.000 2.046 43 L HA -0.181 4.158 4.340 -0.002 0.000 0.208 43 L C 2.216 178.879 176.870 -0.345 0.000 1.077 43 L CA 1.848 56.593 54.840 -0.158 0.000 0.747 43 L CB -0.467 41.508 42.059 -0.140 0.000 0.896 43 L HN 0.058 8.288 8.230 -0.000 0.000 0.432 44 K N -1.015 119.020 120.400 -0.608 0.000 2.032 44 K HA -0.158 4.160 4.320 -0.002 0.000 0.209 44 K C 1.895 178.217 176.600 -0.464 0.000 1.048 44 K CA 2.064 57.718 56.287 -1.054 0.000 0.927 44 K CB -0.190 31.870 32.500 -0.733 0.000 0.712 44 K HN 0.299 8.549 8.250 -0.000 0.000 0.441 45 V N 1.270 121.034 119.914 -0.249 0.000 2.295 45 V HA -0.252 3.866 4.120 -0.002 0.000 0.246 45 V C 2.457 178.513 176.094 -0.063 0.000 1.049 45 V CA 2.022 64.248 62.300 -0.124 0.000 1.024 45 V CB -0.784 30.984 31.823 -0.091 0.000 0.648 45 V HN 0.530 8.720 8.190 -0.000 0.000 0.447 46 A N -0.563 122.223 122.820 -0.055 0.000 1.940 46 A HA -0.285 4.034 4.320 -0.002 0.000 0.219 46 A C 2.145 179.786 177.584 0.095 0.000 1.176 46 A CA 1.962 54.003 52.037 0.008 0.000 0.631 46 A CB -0.804 18.191 19.000 -0.009 0.000 0.814 46 A HN 0.779 8.929 8.150 -0.000 0.000 0.446 47 W N 1.063 122.305 121.300 -0.096 0.000 2.381 47 W HA -0.160 4.498 4.660 -0.003 0.000 0.301 47 W C 1.820 178.359 176.519 0.034 0.000 1.205 47 W CA 1.886 59.243 57.345 0.019 0.000 1.285 47 W CB -0.271 29.222 29.460 0.055 0.000 1.133 47 W HN 0.604 8.784 8.180 -0.000 0.000 0.521 48 E N 0.345 120.636 120.200 0.152 0.000 2.058 48 E HA -0.260 4.089 4.350 -0.002 0.000 0.194 48 E C 1.839 178.461 176.600 0.036 0.000 0.997 48 E CA 1.850 58.303 56.400 0.089 0.000 0.801 48 E CB -0.520 29.213 29.700 0.055 0.000 0.746 48 E HN 0.431 8.791 8.360 -0.000 0.000 0.450 49 E N 0.936 121.166 120.200 0.050 0.000 2.077 49 E HA -0.176 4.173 4.350 -0.002 0.000 0.193 49 E C 2.162 178.868 176.600 0.176 0.000 0.989 49 E CA 0.975 57.435 56.400 0.100 0.000 0.800 49 E CB -0.177 29.570 29.700 0.079 0.000 0.746 49 E HN 0.255 8.615 8.360 -0.000 0.000 0.452 50 A N 1.910 124.803 122.820 0.123 0.000 1.933 50 A HA -0.225 4.094 4.320 -0.002 0.000 0.218 50 A C 2.100 179.616 177.584 -0.113 0.000 1.175 50 A CA 1.585 53.637 52.037 0.025 0.000 0.628 50 A CB -0.416 18.527 19.000 -0.095 0.000 0.814 50 A HN 0.091 8.241 8.150 -0.000 0.000 0.444 51 K N -0.263 120.013 120.400 -0.207 0.000 2.063 51 K HA -0.199 4.119 4.320 -0.002 0.000 0.208 51 K C 1.890 178.486 176.600 -0.007 0.000 1.048 51 K CA 1.484 57.687 56.287 -0.140 0.000 0.928 51 K CB -0.125 32.288 32.500 -0.145 0.000 0.713 51 K HN 0.248 8.498 8.250 -0.000 0.000 0.442 52 K N 0.700 121.101 120.400 0.001 0.000 2.009 52 K HA -0.191 4.127 4.320 -0.002 0.000 0.210 52 K C 2.295 178.890 176.600 -0.008 0.000 1.049 52 K CA 1.432 57.724 56.287 0.008 0.000 0.929 52 K CB -0.352 32.170 32.500 0.037 0.000 0.714 52 K HN 0.078 8.328 8.250 -0.000 0.000 0.440 53 R N 0.855 121.359 120.500 0.005 0.000 2.081 53 R HA -0.136 4.203 4.340 -0.002 0.000 0.235 53 R C 2.054 178.320 176.300 -0.057 0.000 1.131 53 R CA 1.568 57.633 56.100 -0.059 0.000 0.960 53 R CB -0.766 29.399 30.300 -0.225 0.000 0.856 53 R HN 0.514 8.784 8.270 -0.000 0.000 0.436 54 W N 0.973 122.155 121.300 -0.196 0.000 2.358 54 W HA -0.205 4.454 4.660 -0.003 0.000 0.303 54 W C 0.777 177.217 176.519 -0.133 0.000 1.208 54 W CA 1.387 58.630 57.345 -0.170 0.000 1.274 54 W CB -0.320 29.014 29.460 -0.211 0.000 1.138 54 W HN 0.154 8.334 8.180 -0.000 0.000 0.515 55 N N 1.013 119.533 118.700 -0.299 0.000 2.364 55 N HA -0.165 4.573 4.740 -0.002 0.000 0.183 55 N C 1.136 176.450 175.510 -0.327 0.000 1.022 55 N CA 1.217 54.036 53.050 -0.385 0.000 0.883 55 N CB -0.653 37.731 38.487 -0.171 0.000 0.965 55 N HN 0.292 8.672 8.380 -0.000 0.000 0.438 56 N N 0.981 119.537 118.700 -0.240 0.000 2.290 56 N HA 0.020 4.758 4.740 -0.002 0.000 0.179 56 N C 1.893 177.271 175.510 -0.220 0.000 1.016 56 N CA 0.433 53.373 53.050 -0.184 0.000 0.871 56 N CB 0.115 38.535 38.487 -0.112 0.000 0.987 56 N HN 0.455 8.835 8.380 -0.000 0.000 0.431 57 I N -0.454 119.955 120.570 -0.269 0.000 2.852 57 I HA 0.004 4.173 4.170 -0.002 0.000 0.264 57 I C 1.992 177.914 176.117 -0.325 0.000 1.179 57 I CA 0.725 61.872 61.300 -0.254 0.000 1.480 57 I CB -0.210 37.674 38.000 -0.193 0.000 1.111 57 I HN -0.041 8.169 8.210 -0.000 0.000 0.441 58 K N 1.696 121.735 120.400 -0.602 0.000 2.148 58 K HA 0.066 4.384 4.320 -0.002 0.000 0.204 58 K C -0.646 175.817 176.600 -0.230 0.000 1.050 58 K CA 0.826 56.788 56.287 -0.542 0.000 0.942 58 K CB -1.777 29.945 32.500 -1.297 0.000 0.724 58 K HN 0.276 8.526 8.250 -0.000 0.000 0.446 59 P HA -0.191 4.229 4.420 -0.000 0.000 0.216 59 P C 0.905 178.143 177.300 -0.103 0.000 1.154 59 P CA 1.899 64.911 63.100 -0.146 0.000 0.865 59 P CB -0.051 31.562 31.700 -0.144 0.000 0.789 60 S N -2.380 113.249 115.700 -0.118 0.000 2.679 60 S HA 0.246 4.715 4.470 -0.002 0.000 0.233 60 S C 0.656 175.176 174.600 -0.133 0.000 0.951 60 S CA -0.310 57.826 58.200 -0.108 0.000 0.973 60 S CB -0.286 62.852 63.200 -0.104 0.000 0.778 60 S HN -0.130 8.180 8.310 -0.000 0.000 0.477 61 R N 1.075 121.488 120.500 -0.145 0.000 2.799 61 R HA 0.562 4.900 4.340 -0.002 0.000 0.270 61 R C -0.943 175.156 176.300 -0.334 0.000 1.010 61 R CA -0.362 55.566 56.100 -0.286 0.000 0.916 61 R CB 1.732 31.763 30.300 -0.449 0.000 1.228 61 R HN 0.397 8.667 8.270 -0.000 0.000 0.469 62 S N 0.344 115.749 115.700 -0.492 0.000 2.501 62 S HA 0.774 5.243 4.470 -0.002 0.000 0.301 62 S C -0.946 173.260 174.600 -0.658 0.000 1.096 62 S CA -0.580 57.415 58.200 -0.343 0.000 1.063 62 S CB 1.252 64.354 63.200 -0.163 0.000 1.042 62 S HN 0.417 8.727 8.310 -0.000 0.000 0.494 63 Y N 0.088 120.387 120.300 -0.002 0.000 2.602 63 Y HA 0.622 5.171 4.550 -0.002 0.000 0.342 63 Y C -2.308 173.603 175.900 0.019 0.000 1.029 63 Y CA -2.331 55.733 58.100 -0.060 0.000 1.080 63 Y CB 0.362 38.774 38.460 -0.080 0.000 1.284 63 Y HN 0.512 8.792 8.280 -0.000 0.000 0.485 64 P HA 0.024 4.444 4.420 -0.000 0.000 0.268 64 P C -0.797 176.654 177.300 0.253 0.000 1.208 64 P CA -0.510 62.694 63.100 0.175 0.000 0.777 64 P CB 0.541 32.347 31.700 0.176 0.000 0.875 65 K N 1.466 121.978 120.400 0.186 0.000 2.451 65 K HA 0.198 4.517 4.320 -0.002 0.000 0.280 65 K C 1.118 177.849 176.600 0.218 0.000 1.020 65 K CA 0.915 57.312 56.287 0.184 0.000 1.008 65 K CB -0.529 32.048 32.500 0.129 0.000 0.917 65 K HN 0.751 9.001 8.250 -0.000 0.000 0.478 66 G N 3.903 112.845 108.800 0.236 0.000 2.241 66 G HA2 -0.291 3.667 3.960 -0.002 0.000 0.244 66 G HA3 -0.291 3.667 3.960 -0.002 0.000 0.244 66 G C -0.047 175.060 174.900 0.344 0.000 0.998 66 G CA 0.007 45.254 45.100 0.245 0.000 0.621 66 G HN 0.638 8.928 8.290 -0.000 0.000 0.519 67 F N 3.669 123.763 119.950 0.241 0.000 2.533 67 F HA 0.482 5.008 4.527 -0.002 0.000 0.378 67 F C 0.777 176.739 175.800 0.269 0.000 1.070 67 F CA 0.070 58.264 58.000 0.322 0.000 1.172 67 F CB 0.269 39.429 39.000 0.267 0.000 1.085 67 F HN 0.535 8.835 8.300 -0.000 0.000 0.552 68 N N 2.671 121.382 118.700 0.018 0.000 2.813 68 N HA 0.248 4.987 4.740 -0.002 0.000 0.320 68 N C 0.226 175.524 175.510 -0.353 0.000 1.315 68 N CA -0.615 52.363 53.050 -0.121 0.000 0.871 68 N CB 0.308 38.709 38.487 -0.143 0.000 1.241 68 N HN 0.385 8.765 8.380 -0.000 0.000 0.602 69 D N -0.853 119.399 120.400 -0.247 0.000 2.219 69 D HA -0.049 4.590 4.640 -0.002 0.000 0.205 69 D C 1.220 177.069 176.300 -0.752 0.000 0.970 69 D CA 1.096 54.876 54.000 -0.366 0.000 0.851 69 D CB -0.229 40.485 40.800 -0.144 0.000 0.943 69 D HN 0.386 8.756 8.370 -0.000 0.000 0.488 70 F N 0.896 120.446 119.950 -0.666 0.000 2.146 70 F HA -0.074 4.451 4.527 -0.003 0.000 0.298 70 F C 2.401 177.718 175.800 -0.804 0.000 1.096 70 F CA 1.052 58.573 58.000 -0.797 0.000 1.275 70 F CB -0.682 37.334 39.000 -1.640 0.000 1.008 70 F HN 0.134 8.434 8.300 -0.000 0.000 0.480 71 H N -1.231 117.447 119.070 -0.652 0.000 2.321 71 H HA -0.062 4.492 4.556 -0.002 0.000 0.300 71 H C 2.556 177.313 175.328 -0.952 0.000 1.087 71 H CA 0.763 56.309 56.048 -0.837 0.000 1.319 71 H CB -0.730 28.218 29.762 -1.357 0.000 1.379 71 H HN 0.312 8.592 8.280 -0.000 0.000 0.501 72 G N -0.056 108.048 108.800 -1.160 0.000 2.421 72 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.216 72 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.216 72 G C 1.695 175.902 174.900 -1.155 0.000 1.171 72 G CA 1.430 45.642 45.100 -1.480 0.000 0.775 72 G HN 0.330 8.620 8.290 -0.000 0.000 0.543 73 T N 1.492 115.317 114.554 -1.215 0.000 2.821 73 T HA 0.100 4.449 4.350 -0.002 0.000 0.267 73 T C 2.782 177.073 174.700 -0.682 0.000 1.046 73 T CA 1.305 62.854 62.100 -0.919 0.000 1.139 73 T CB -0.252 67.868 68.868 -1.247 0.000 0.871 73 T HN 0.367 8.607 8.240 -0.000 0.000 0.454 74 A N 1.134 123.672 122.820 -0.470 0.000 1.898 74 A HA 0.073 4.392 4.320 -0.002 0.000 0.216 74 A C 2.295 179.772 177.584 -0.177 0.000 1.181 74 A CA 0.974 52.937 52.037 -0.124 0.000 0.620 74 A CB -0.825 18.044 19.000 -0.218 0.000 0.819 74 A HN 0.442 8.592 8.150 -0.000 0.000 0.442 75 L N -0.370 120.679 121.223 -0.290 0.000 1.994 75 L HA -0.177 4.162 4.340 -0.002 0.000 0.208 75 L C 2.593 179.443 176.870 -0.034 0.000 1.071 75 L CA 1.501 56.201 54.840 -0.233 0.000 0.745 75 L CB -0.360 41.433 42.059 -0.444 0.000 0.892 75 L HN 0.280 8.510 8.230 -0.000 0.000 0.431 76 V N -0.016 119.870 119.914 -0.047 0.000 2.287 76 V HA -0.338 3.781 4.120 -0.002 0.000 0.248 76 V C 2.727 178.847 176.094 0.043 0.000 1.053 76 V CA 1.865 64.134 62.300 -0.053 0.000 1.027 76 V CB -0.990 30.739 31.823 -0.156 0.000 0.646 76 V HN 0.559 8.749 8.190 -0.000 0.000 0.447 77 A N -1.034 121.847 122.820 0.102 0.000 1.940 77 A HA -0.299 4.019 4.320 -0.002 0.000 0.219 77 A C 2.157 179.922 177.584 0.301 0.000 1.176 77 A CA 2.157 54.352 52.037 0.263 0.000 0.631 77 A CB -0.847 18.330 19.000 0.296 0.000 0.814 77 A HN 0.674 8.824 8.150 -0.000 0.000 0.446 78 Y N 1.818 122.251 120.300 0.222 0.000 2.256 78 Y HA -0.203 4.346 4.550 -0.002 0.000 0.288 78 Y C 2.530 178.533 175.900 0.172 0.000 1.155 78 Y CA 2.175 60.383 58.100 0.179 0.000 1.203 78 Y CB -0.434 38.037 38.460 0.018 0.000 0.980 78 Y HN 0.413 8.693 8.280 -0.000 0.000 0.530 79 T N -1.859 112.813 114.554 0.195 0.000 3.194 79 T HA 0.321 4.670 4.350 -0.002 0.000 0.251 79 T C 0.940 175.794 174.700 0.258 0.000 1.132 79 T CA 0.187 62.400 62.100 0.187 0.000 1.028 79 T CB -0.641 68.379 68.868 0.254 0.000 0.976 79 T HN 0.332 8.572 8.240 -0.000 0.000 0.535 80 G N 1.088 110.018 108.800 0.217 0.000 2.857 80 G HA2 0.427 4.386 3.960 -0.002 0.000 0.217 80 G HA3 0.427 4.386 3.960 -0.002 0.000 0.217 80 G C 1.042 175.914 174.900 -0.046 0.000 1.357 80 G CA -0.035 45.105 45.100 0.067 0.000 1.033 80 G HN 0.291 8.581 8.290 -0.000 0.000 0.571 81 S N -0.995 114.651 115.700 -0.091 0.000 2.481 81 S HA -0.074 4.395 4.470 -0.002 0.000 0.231 81 S C 2.144 176.725 174.600 -0.032 0.000 0.996 81 S CA 0.871 59.035 58.200 -0.061 0.000 0.942 81 S CB -0.117 63.039 63.200 -0.073 0.000 0.768 81 S HN 0.316 8.626 8.310 -0.000 0.000 0.520 82 I N 2.227 122.775 120.570 -0.036 0.000 2.676 82 I HA 0.126 4.294 4.170 -0.002 0.000 0.259 82 I C 2.418 178.539 176.117 0.007 0.000 1.194 82 I CA 0.362 61.654 61.300 -0.015 0.000 1.473 82 I CB -0.730 37.223 38.000 -0.078 0.000 1.096 82 I HN 0.333 8.543 8.210 -0.000 0.000 0.443 83 A N -0.299 122.479 122.820 -0.069 0.000 1.917 83 A HA -0.203 4.116 4.320 -0.002 0.000 0.219 83 A C 2.385 180.015 177.584 0.076 0.000 1.182 83 A CA 2.239 54.231 52.037 -0.075 0.000 0.633 83 A CB -1.214 17.491 19.000 -0.492 0.000 0.819 83 A HN 0.286 8.436 8.150 -0.000 0.000 0.448 84 V N 0.317 120.265 119.914 0.056 0.000 2.255 84 V HA -0.307 3.812 4.120 -0.002 0.000 0.247 84 V C 2.362 178.527 176.094 0.118 0.000 1.051 84 V CA 2.656 65.011 62.300 0.091 0.000 1.018 84 V CB -0.850 31.022 31.823 0.082 0.000 0.641 84 V HN 0.758 8.948 8.190 -0.000 0.000 0.445 85 D N -1.018 119.463 120.400 0.134 0.000 2.144 85 D HA -0.200 4.439 4.640 -0.002 0.000 0.200 85 D C 1.908 178.310 176.300 0.170 0.000 0.978 85 D CA 0.990 55.099 54.000 0.182 0.000 0.833 85 D CB -0.146 40.797 40.800 0.238 0.000 0.961 85 D HN 0.357 8.727 8.370 -0.000 0.000 0.470 86 F N 1.210 121.077 119.950 -0.138 0.000 2.102 86 F HA -0.138 4.387 4.527 -0.002 0.000 0.298 86 F C 1.866 177.661 175.800 -0.007 0.000 1.105 86 F CA 1.343 59.057 58.000 -0.477 0.000 1.239 86 F CB -0.610 38.134 39.000 -0.427 0.000 0.991 86 F HN -0.063 8.237 8.300 -0.000 0.000 0.474 87 N N 0.621 119.286 118.700 -0.059 0.000 2.166 87 N HA -0.177 4.561 4.740 -0.002 0.000 0.186 87 N C 2.134 177.659 175.510 0.024 0.000 1.019 87 N CA 1.226 54.239 53.050 -0.062 0.000 0.856 87 N CB -0.599 37.953 38.487 0.108 0.000 0.993 87 N HN 0.389 8.769 8.380 -0.000 0.000 0.426 88 R N 0.980 121.532 120.500 0.086 0.000 2.070 88 R HA -0.042 4.297 4.340 -0.002 0.000 0.233 88 R C 1.952 178.353 176.300 0.168 0.000 1.137 88 R CA 1.534 57.712 56.100 0.130 0.000 0.945 88 R CB -0.318 30.066 30.300 0.140 0.000 0.845 88 R HN 0.155 8.425 8.270 -0.000 0.000 0.430 89 A N 0.519 123.471 122.820 0.221 0.000 1.908 89 A HA -0.119 4.199 4.320 -0.002 0.000 0.218 89 A C 2.337 180.181 177.584 0.433 0.000 1.181 89 A CA 1.740 54.005 52.037 0.380 0.000 0.627 89 A CB -0.628 18.709 19.000 0.561 0.000 0.818 89 A HN 0.260 8.410 8.150 -0.000 0.000 0.445 90 V N 0.089 120.187 119.914 0.306 0.000 2.295 90 V HA -0.255 3.864 4.120 -0.002 0.000 0.246 90 V C 2.674 178.877 176.094 0.181 0.000 1.049 90 V CA 2.272 64.707 62.300 0.226 0.000 1.024 90 V CB -0.784 31.082 31.823 0.071 0.000 0.648 90 V HN 0.698 8.888 8.190 -0.000 0.000 0.447 91 R N 0.519 121.112 120.500 0.154 0.000 2.096 91 R HA -0.173 4.165 4.340 -0.002 0.000 0.235 91 R C 1.629 178.032 176.300 0.172 0.000 1.127 91 R CA 1.878 58.072 56.100 0.157 0.000 0.968 91 R CB -0.089 30.299 30.300 0.147 0.000 0.861 91 R HN 0.636 8.906 8.270 -0.000 0.000 0.440 92 E N -0.284 120.021 120.200 0.175 0.000 2.419 92 E HA -0.029 4.319 4.350 -0.002 0.000 0.190 92 E C 0.742 177.422 176.600 0.134 0.000 1.040 92 E CA -0.381 56.105 56.400 0.144 0.000 0.900 92 E CB 0.019 29.791 29.700 0.120 0.000 1.054 92 E HN 0.284 8.644 8.360 -0.000 0.000 0.462 93 F N 2.686 122.640 119.950 0.007 0.000 2.043 93 F HA -0.274 4.252 4.527 -0.002 0.000 0.297 93 F C 2.248 178.015 175.800 -0.055 0.000 1.121 93 F CA 1.885 59.820 58.000 -0.108 0.000 1.199 93 F CB 0.087 38.900 39.000 -0.311 0.000 0.968 93 F HN -0.138 8.162 8.300 -0.000 0.000 0.478 94 K N 0.114 120.608 120.400 0.157 0.000 2.113 94 K HA -0.243 4.075 4.320 -0.002 0.000 0.208 94 K C 1.974 178.546 176.600 -0.046 0.000 1.047 94 K CA 2.055 58.403 56.287 0.103 0.000 0.928 94 K CB -0.216 32.438 32.500 0.257 0.000 0.716 94 K HN 0.459 8.709 8.250 -0.000 0.000 0.446 95 E N 0.090 120.276 120.200 -0.023 0.000 2.072 95 E HA -0.140 4.208 4.350 -0.002 0.000 0.191 95 E C 0.122 176.673 176.600 -0.080 0.000 0.985 95 E CA 1.309 57.693 56.400 -0.027 0.000 0.801 95 E CB -0.016 29.692 29.700 0.014 0.000 0.750 95 E HN 0.558 8.918 8.360 -0.000 0.000 0.452 96 N N -0.666 117.952 118.700 -0.137 0.000 2.752 96 N HA 0.160 4.899 4.740 -0.002 0.000 0.260 96 N C -2.366 172.970 175.510 -0.290 0.000 1.562 96 N CA -1.023 51.936 53.050 -0.153 0.000 0.788 96 N CB 1.289 39.736 38.487 -0.066 0.000 1.192 96 N HN -0.140 8.240 8.380 -0.000 0.000 0.503 97 P HA -0.069 4.351 4.420 -0.000 0.000 0.222 97 P C 1.385 178.498 177.300 -0.312 0.000 1.147 97 P CA 0.997 63.611 63.100 -0.809 0.000 0.790 97 P CB 0.109 31.280 31.700 -0.882 0.000 0.780 98 G N -0.215 108.478 108.800 -0.178 0.000 2.679 98 G HA2 -0.128 3.830 3.960 -0.002 0.000 0.212 98 G HA3 -0.128 3.830 3.960 -0.002 0.000 0.212 98 G C 1.327 176.172 174.900 -0.092 0.000 1.137 98 G CA 0.265 45.319 45.100 -0.076 0.000 0.787 98 G HN 0.234 8.524 8.290 -0.000 0.000 0.534 99 Q N -0.461 119.246 119.800 -0.154 0.000 2.175 99 Q HA 0.231 4.569 4.340 -0.002 0.000 0.225 99 Q C -0.807 174.941 176.000 -0.420 0.000 0.837 99 Q CA -0.677 54.949 55.803 -0.295 0.000 1.032 99 Q CB 0.531 29.201 28.738 -0.113 0.000 1.137 99 Q HN 0.409 8.679 8.270 -0.000 0.000 0.483 100 F N 1.567 121.272 119.950 -0.409 0.000 2.377 100 F HA 0.196 4.722 4.527 -0.002 0.000 0.360 100 F C 0.021 175.693 175.800 -0.213 0.000 1.147 100 F CA -0.523 57.385 58.000 -0.153 0.000 1.170 100 F CB 0.152 39.225 39.000 0.122 0.000 1.339 100 F HN 0.070 8.370 8.300 -0.000 0.000 0.552 101 H N 5.660 124.500 119.070 -0.383 0.000 2.499 101 H HA 0.199 4.754 4.556 -0.002 0.000 0.262 101 H C -0.942 173.910 175.328 -0.794 0.000 1.363 101 H CA 0.084 55.828 56.048 -0.506 0.000 1.072 101 H CB -0.035 29.483 29.762 -0.406 0.000 1.602 101 H HN 0.618 8.898 8.280 -0.000 0.000 0.526 102 Y N -0.421 119.525 120.300 -0.590 0.000 2.777 102 Y HA 0.152 4.701 4.550 -0.002 0.000 0.248 102 Y C 1.209 177.059 175.900 -0.083 0.000 1.127 102 Y CA -0.661 57.272 58.100 -0.278 0.000 1.149 102 Y CB 0.314 38.698 38.460 -0.127 0.000 1.230 102 Y HN 0.115 8.395 8.280 -0.000 0.000 0.586 103 K N 0.465 120.844 120.400 -0.034 0.000 2.032 103 K HA -0.158 4.161 4.320 -0.002 0.000 0.209 103 K C 2.106 178.848 176.600 0.236 0.000 1.048 103 K CA 1.702 58.062 56.287 0.122 0.000 0.927 103 K CB -0.032 32.276 32.500 -0.321 0.000 0.712 103 K HN 0.343 8.593 8.250 -0.000 0.000 0.441 104 A N 0.721 123.584 122.820 0.072 0.000 1.935 104 A HA -0.060 4.259 4.320 -0.002 0.000 0.214 104 A C 1.940 179.596 177.584 0.121 0.000 1.178 104 A CA 0.476 52.490 52.037 -0.037 0.000 0.640 104 A CB -0.512 18.371 19.000 -0.196 0.000 0.825 104 A HN 0.290 8.440 8.150 -0.000 0.000 0.447 105 F N 0.451 120.488 119.950 0.144 0.000 2.126 105 F HA -0.225 4.301 4.527 -0.001 0.000 0.299 105 F C 2.346 178.278 175.800 0.219 0.000 1.096 105 F CA 2.237 60.365 58.000 0.213 0.000 1.255 105 F CB -0.400 38.727 39.000 0.212 0.000 0.997 105 F HN 0.504 8.804 8.300 -0.000 0.000 0.479 106 H N -1.168 118.135 119.070 0.389 0.000 2.353 106 H HA -0.247 4.308 4.556 -0.002 0.000 0.300 106 H C 2.169 177.719 175.328 0.371 0.000 1.090 106 H CA 2.186 58.581 56.048 0.579 0.000 1.327 106 H CB -0.859 29.575 29.762 1.120 0.000 1.383 106 H HN 0.462 8.742 8.280 -0.000 0.000 0.508 107 Y N 0.872 121.344 120.300 0.286 0.000 2.114 107 Y HA -0.285 4.263 4.550 -0.002 0.000 0.284 107 Y C 2.114 177.864 175.900 -0.251 0.000 1.143 107 Y CA 1.925 59.880 58.100 -0.241 0.000 1.135 107 Y CB -0.984 37.120 38.460 -0.593 0.000 0.980 107 Y HN 0.079 8.359 8.280 -0.000 0.000 0.499 108 Y N -0.449 119.616 120.300 -0.392 0.000 2.165 108 Y HA -0.222 4.326 4.550 -0.002 0.000 0.286 108 Y C 2.411 178.035 175.900 -0.460 0.000 1.155 108 Y CA 1.499 59.372 58.100 -0.378 0.000 1.164 108 Y CB -1.155 37.264 38.460 -0.069 0.000 0.978 108 Y HN 0.275 8.555 8.280 -0.000 0.000 0.513 109 L N -0.635 120.331 121.223 -0.429 0.000 2.056 109 L HA -0.166 4.173 4.340 -0.002 0.000 0.207 109 L C 2.204 178.900 176.870 -0.291 0.000 1.078 109 L CA 2.093 56.586 54.840 -0.579 0.000 0.749 109 L CB -1.069 40.330 42.059 -1.099 0.000 0.901 109 L HN 0.152 8.382 8.230 -0.000 0.000 0.433 110 T N -0.910 113.590 114.554 -0.091 0.000 2.708 110 T HA -0.211 4.138 4.350 -0.002 0.000 0.266 110 T C 2.028 176.676 174.700 -0.086 0.000 1.037 110 T CA 1.562 63.754 62.100 0.154 0.000 1.146 110 T CB -0.228 68.831 68.868 0.318 0.000 0.865 110 T HN 0.155 8.395 8.240 -0.000 0.000 0.435 111 R N 1.678 121.931 120.500 -0.412 0.000 2.096 111 R HA 0.135 4.474 4.340 -0.002 0.000 0.235 111 R C 2.354 178.388 176.300 -0.444 0.000 1.127 111 R CA 1.555 57.371 56.100 -0.473 0.000 0.968 111 R CB -1.028 28.808 30.300 -0.774 0.000 0.861 111 R HN 0.353 8.623 8.270 -0.000 0.000 0.440 112 A N 0.457 123.001 122.820 -0.459 0.000 1.908 112 A HA -0.125 4.194 4.320 -0.002 0.000 0.218 112 A C 2.221 179.770 177.584 -0.059 0.000 1.181 112 A CA 1.595 53.447 52.037 -0.308 0.000 0.627 112 A CB -0.620 18.195 19.000 -0.308 0.000 0.818 112 A HN 0.351 8.501 8.150 -0.000 0.000 0.445 113 L N -1.067 120.108 121.223 -0.079 0.000 2.109 113 L HA -0.213 4.126 4.340 -0.002 0.000 0.207 113 L C 2.860 179.740 176.870 0.016 0.000 1.086 113 L CA 1.362 56.189 54.840 -0.023 0.000 0.760 113 L CB -0.688 41.372 42.059 0.001 0.000 0.910 113 L HN 0.509 8.739 8.230 -0.000 0.000 0.437 114 Q N 0.052 119.862 119.800 0.017 0.000 2.084 114 Q HA -0.173 4.166 4.340 -0.002 0.000 0.202 114 Q C 2.363 178.388 176.000 0.041 0.000 0.978 114 Q CA 1.235 57.065 55.803 0.045 0.000 0.844 114 Q CB -0.111 28.653 28.738 0.044 0.000 0.898 114 Q HN 0.511 8.781 8.270 -0.000 0.000 0.426 115 L N 0.163 121.404 121.223 0.031 0.000 2.093 115 L HA -0.159 4.179 4.340 -0.002 0.000 0.208 115 L C 2.117 179.060 176.870 0.123 0.000 1.085 115 L CA 0.839 55.736 54.840 0.096 0.000 0.755 115 L CB -0.201 41.955 42.059 0.161 0.000 0.904 115 L HN 0.242 8.472 8.230 -0.000 0.000 0.435 116 L N -1.279 120.012 121.223 0.113 0.000 2.418 116 L HA 0.006 4.345 4.340 -0.002 0.000 0.218 116 L C 1.450 178.366 176.870 0.076 0.000 1.125 116 L CA -0.163 54.727 54.840 0.084 0.000 0.835 116 L CB -0.115 41.980 42.059 0.060 0.000 0.953 116 L HN 0.092 8.322 8.230 -0.000 0.000 0.454 117 S N 1.420 117.161 115.700 0.068 0.000 2.533 117 S HA 0.013 4.481 4.470 -0.002 0.000 0.282 117 S C 0.844 175.483 174.600 0.065 0.000 1.304 117 S CA -0.315 57.927 58.200 0.069 0.000 1.063 117 S CB 0.321 63.556 63.200 0.059 0.000 0.881 117 S HN 0.509 8.819 8.310 -0.000 0.000 0.493 118 N N 2.968 121.708 118.700 0.067 0.000 2.170 118 N HA 0.272 5.011 4.740 -0.002 0.000 0.222 118 N C 0.976 176.506 175.510 0.034 0.000 1.218 118 N CA 0.342 53.422 53.050 0.049 0.000 0.889 118 N CB 0.312 38.828 38.487 0.047 0.000 1.083 118 N HN 0.840 9.220 8.380 -0.000 0.000 0.520 119 G N -0.369 108.453 108.800 0.036 0.000 2.234 119 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.235 119 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.235 119 G C -0.542 174.360 174.900 0.003 0.000 0.997 119 G CA 0.055 45.166 45.100 0.019 0.000 0.623 119 G HN 0.404 8.694 8.290 -0.000 0.000 0.514 120 D N 0.707 121.104 120.400 -0.005 0.000 2.423 120 D HA 0.470 5.109 4.640 -0.002 0.000 0.238 120 D C 0.780 177.024 176.300 -0.092 0.000 1.142 120 D CA 0.416 54.368 54.000 -0.080 0.000 0.884 120 D CB 0.874 41.597 40.800 -0.127 0.000 1.199 120 D HN 0.381 8.751 8.370 -0.000 0.000 0.438 121 c N 1.384 119.879 118.600 -0.175 0.000 2.470 121 c HA 0.615 5.184 4.570 -0.002 0.000 0.341 121 c C -0.101 173.819 174.090 -0.284 0.000 1.190 121 c CA -0.583 55.686 56.329 -0.099 0.000 1.904 121 c CB 0.680 43.164 42.510 -0.043 0.000 2.354 121 c HN 0.635 8.865 8.230 -0.000 0.000 0.509 122 H N -0.731 118.326 119.070 -0.021 0.000 2.865 122 H HA 0.571 5.126 4.556 -0.002 0.000 0.372 122 H C -0.656 174.634 175.328 -0.063 0.000 1.173 122 H CA -0.223 55.800 56.048 -0.042 0.000 1.147 122 H CB 1.532 31.271 29.762 -0.039 0.000 1.805 122 H HN 0.544 8.824 8.280 -0.000 0.000 0.553 123 S N 1.646 117.369 115.700 0.038 0.000 2.438 123 S HA 0.591 5.060 4.470 -0.002 0.000 0.316 123 S C -0.613 173.860 174.600 -0.212 0.000 1.084 123 S CA -0.543 57.598 58.200 -0.098 0.000 1.107 123 S CB -0.414 62.730 63.200 -0.092 0.000 0.981 123 S HN 0.526 8.836 8.310 -0.000 0.000 0.466 124 V N 3.218 122.933 119.914 -0.331 0.000 3.155 124 V HA 0.797 4.916 4.120 -0.002 0.000 0.313 124 V C -1.832 173.875 176.094 -0.646 0.000 1.162 124 V CA -0.986 61.091 62.300 -0.372 0.000 1.048 124 V CB 1.183 32.923 31.823 -0.140 0.000 1.092 124 V HN 0.740 8.930 8.190 -0.000 0.000 0.447 125 Y N 0.087 120.355 120.300 -0.053 0.000 2.499 125 Y HA 0.849 5.397 4.550 -0.002 0.000 0.347 125 Y C 0.091 175.951 175.900 -0.066 0.000 0.987 125 Y CA -0.718 57.340 58.100 -0.070 0.000 1.044 125 Y CB 2.159 40.570 38.460 -0.082 0.000 1.245 125 Y HN 0.830 9.110 8.280 -0.000 0.000 0.461 126 R N 1.291 121.865 120.500 0.124 0.000 2.515 126 R HA 0.658 4.997 4.340 -0.002 0.000 0.291 126 R C -0.995 175.424 176.300 0.198 0.000 1.046 126 R CA -0.526 55.616 56.100 0.069 0.000 0.914 126 R CB 1.300 31.571 30.300 -0.048 0.000 1.191 126 R HN 0.940 9.210 8.270 -0.000 0.000 0.435 127 G N 1.395 110.302 108.800 0.178 0.000 2.410 127 G HA2 0.552 4.511 3.960 -0.002 0.000 0.330 127 G HA3 0.552 4.511 3.960 -0.002 0.000 0.330 127 G C -0.547 174.587 174.900 0.391 0.000 1.142 127 G CA -0.348 44.965 45.100 0.354 0.000 0.902 127 G HN 0.621 8.911 8.290 -0.000 0.000 0.491 128 T N -1.997 112.818 114.554 0.434 0.000 2.865 128 T HA 0.500 4.848 4.350 -0.002 0.000 0.294 128 T C 0.439 175.267 174.700 0.212 0.000 1.119 128 T CA -0.892 61.424 62.100 0.361 0.000 1.007 128 T CB 2.429 71.602 68.868 0.507 0.000 1.225 128 T HN 0.347 8.587 8.240 -0.000 0.000 0.515 129 K N -0.148 120.357 120.400 0.174 0.000 2.354 129 K HA 0.207 4.525 4.320 -0.002 0.000 0.194 129 K C 0.079 176.700 176.600 0.035 0.000 1.038 129 K CA 0.154 56.473 56.287 0.053 0.000 1.052 129 K CB 0.559 33.103 32.500 0.073 0.000 0.861 129 K HN 0.591 8.841 8.250 -0.000 0.000 0.535 130 T N 1.466 116.071 114.554 0.084 0.000 2.795 130 T HA 0.242 4.591 4.350 -0.002 0.000 0.282 130 T C -0.378 174.249 174.700 -0.122 0.000 0.980 130 T CA -0.584 61.478 62.100 -0.062 0.000 1.012 130 T CB 1.547 70.327 68.868 -0.147 0.000 0.936 130 T HN 0.000 8.240 8.240 -0.000 0.000 0.457 131 R N 2.300 122.669 120.500 -0.219 0.000 2.298 131 R HA 0.433 4.771 4.340 -0.002 0.000 0.310 131 R C -1.503 174.541 176.300 -0.425 0.000 1.068 131 R CA -0.134 55.847 56.100 -0.198 0.000 0.957 131 R CB -0.257 29.940 30.300 -0.171 0.000 1.003 131 R HN 0.452 8.722 8.270 -0.000 0.000 0.454 132 F N 3.126 123.021 119.950 -0.091 0.000 2.492 132 F HA 0.426 4.951 4.527 -0.002 0.000 0.327 132 F C 0.217 176.037 175.800 0.034 0.000 1.079 132 F CA -0.521 57.481 58.000 0.004 0.000 0.967 132 F CB 1.565 40.712 39.000 0.244 0.000 1.169 132 F HN 0.462 8.762 8.300 -0.000 0.000 0.472 133 H N 0.732 119.981 119.070 0.298 0.000 2.622 133 H HA 0.233 4.787 4.556 -0.002 0.000 0.363 133 H C -1.504 173.991 175.328 0.280 0.000 1.151 133 H CA -1.047 55.137 56.048 0.227 0.000 1.184 133 H CB 1.701 31.541 29.762 0.130 0.000 1.643 133 H HN 0.528 8.808 8.280 -0.000 0.000 0.531 134 Y N 1.945 122.402 120.300 0.262 0.000 2.350 134 Y HA 0.121 4.670 4.550 -0.002 0.000 0.340 134 Y C 1.303 177.279 175.900 0.127 0.000 1.006 134 Y CA -0.882 57.324 58.100 0.176 0.000 1.166 134 Y CB 0.954 39.499 38.460 0.142 0.000 1.168 134 Y HN 0.684 8.964 8.280 -0.000 0.000 0.502 135 T N 1.238 115.516 114.554 -0.461 0.000 3.163 135 T HA 0.209 4.558 4.350 -0.002 0.000 0.260 135 T C 1.417 175.804 174.700 -0.521 0.000 1.156 135 T CA 0.685 62.559 62.100 -0.378 0.000 1.072 135 T CB -0.587 68.158 68.868 -0.205 0.000 0.937 135 T HN 1.342 9.582 8.240 -0.000 0.000 0.528 136 G N 0.381 108.572 108.800 -1.016 0.000 2.234 136 G HA2 0.103 4.062 3.960 -0.002 0.000 0.235 136 G HA3 0.103 4.062 3.960 -0.002 0.000 0.235 136 G C 0.178 174.917 174.900 -0.268 0.000 0.997 136 G CA -0.374 44.443 45.100 -0.470 0.000 0.623 136 G HN 1.457 9.747 8.290 -0.000 0.000 0.514 137 A N -0.931 121.677 122.820 -0.353 0.000 2.594 137 A HA 1.072 5.391 4.320 -0.002 0.000 0.295 137 A C 0.819 178.440 177.584 0.063 0.000 1.071 137 A CA 1.046 53.072 52.037 -0.019 0.000 0.685 137 A CB 1.110 20.095 19.000 -0.027 0.000 1.285 137 A HN 2.423 10.573 8.150 -0.000 0.000 0.405 138 G N 0.100 108.988 108.800 0.147 0.000 2.712 138 G HA2 0.295 4.253 3.960 -0.002 0.000 0.686 138 G HA3 0.295 4.253 3.960 -0.002 0.000 0.686 138 G C -0.016 175.010 174.900 0.210 0.000 1.321 138 G CA -0.195 44.986 45.100 0.134 0.000 0.813 138 G HN 1.558 9.848 8.290 -0.000 0.000 0.599 139 S N -1.424 114.343 115.700 0.112 0.000 2.617 139 S HA 0.669 5.137 4.470 -0.002 0.000 0.259 139 S C 0.521 175.171 174.600 0.083 0.000 1.301 139 S CA 0.007 58.252 58.200 0.075 0.000 0.984 139 S CB 1.536 64.740 63.200 0.007 0.000 0.954 139 S HN 1.255 9.565 8.310 -0.000 0.000 0.572 140 V N 0.994 120.927 119.914 0.032 0.000 2.876 140 V HA 0.656 4.774 4.120 -0.002 0.000 0.312 140 V C -0.217 175.820 176.094 -0.094 0.000 1.085 140 V CA -0.687 61.601 62.300 -0.019 0.000 0.945 140 V CB 2.037 33.831 31.823 -0.048 0.000 1.017 140 V HN 0.770 8.960 8.190 -0.000 0.000 0.428 141 R N 1.466 121.844 120.500 -0.203 0.000 2.668 141 R HA 0.489 4.827 4.340 -0.002 0.000 0.272 141 R C -0.709 175.406 176.300 -0.307 0.000 1.019 141 R CA -0.536 55.431 56.100 -0.221 0.000 0.894 141 R CB 1.718 31.945 30.300 -0.122 0.000 1.228 141 R HN 0.562 8.832 8.270 -0.000 0.000 0.460 142 F N 0.587 120.514 119.950 -0.038 0.000 2.582 142 F HA 0.240 4.766 4.527 -0.002 0.000 0.290 142 F C 1.880 177.649 175.800 -0.052 0.000 1.115 142 F CA 1.102 59.051 58.000 -0.085 0.000 1.445 142 F CB 0.512 39.424 39.000 -0.148 0.000 1.126 142 F HN 0.946 9.246 8.300 -0.000 0.000 0.574 143 G N 0.152 109.010 108.800 0.097 0.000 3.548 143 G HA2 -0.352 3.607 3.960 -0.002 0.000 0.224 143 G HA3 -0.352 3.607 3.960 -0.002 0.000 0.224 143 G C 0.586 175.501 174.900 0.025 0.000 1.351 143 G CA 0.359 45.489 45.100 0.050 0.000 0.905 143 G HN 0.508 8.798 8.290 -0.000 0.000 0.561 144 Q N 0.515 120.356 119.800 0.069 0.000 2.312 144 Q HA 0.643 4.982 4.340 -0.002 0.000 0.236 144 Q C -0.212 175.796 176.000 0.013 0.000 0.965 144 Q CA -0.852 54.993 55.803 0.069 0.000 0.894 144 Q CB 0.703 29.496 28.738 0.091 0.000 1.225 144 Q HN 0.299 8.569 8.270 -0.000 0.000 0.478 145 F N 1.023 120.955 119.950 -0.029 0.000 2.602 145 F HA 0.096 4.622 4.527 -0.002 0.000 0.367 145 F C 0.361 176.112 175.800 -0.082 0.000 1.126 145 F CA 0.570 58.513 58.000 -0.095 0.000 1.321 145 F CB 0.842 39.748 39.000 -0.157 0.000 1.094 145 F HN 0.444 8.744 8.300 -0.000 0.000 0.594 146 T N 2.960 117.494 114.554 -0.033 0.000 2.815 146 T HA 0.288 4.637 4.350 -0.002 0.000 0.289 146 T C -0.333 174.291 174.700 -0.127 0.000 1.000 146 T CA -0.773 61.214 62.100 -0.189 0.000 0.958 146 T CB 0.906 69.481 68.868 -0.489 0.000 0.944 146 T HN 0.448 8.688 8.240 -0.000 0.000 0.442 147 S N 2.903 118.571 115.700 -0.055 0.000 2.565 147 S HA 0.681 5.149 4.470 -0.002 0.000 0.274 147 S C 0.394 174.899 174.600 -0.158 0.000 1.309 147 S CA -0.743 57.440 58.200 -0.029 0.000 1.043 147 S CB 0.679 63.904 63.200 0.041 0.000 0.939 147 S HN 0.895 9.205 8.310 -0.000 0.000 0.504 148 S N 1.318 116.951 115.700 -0.111 0.000 2.671 148 S HA 0.807 5.276 4.470 -0.002 0.000 0.277 148 S C -0.796 173.786 174.600 -0.029 0.000 1.165 148 S CA -0.814 57.322 58.200 -0.106 0.000 0.822 148 S CB 1.796 64.925 63.200 -0.117 0.000 1.150 148 S HN 0.559 8.869 8.310 -0.000 0.000 0.479 149 S N -0.487 115.230 115.700 0.029 0.000 2.570 149 S HA 0.571 5.039 4.470 -0.002 0.000 0.286 149 S C 0.484 175.181 174.600 0.162 0.000 1.099 149 S CA -0.970 57.291 58.200 0.103 0.000 0.913 149 S CB 1.072 64.343 63.200 0.118 0.000 1.085 149 S HN 0.712 9.022 8.310 -0.000 0.000 0.480 150 L N 2.142 123.466 121.223 0.168 0.000 2.291 150 L HA 0.117 4.456 4.340 -0.002 0.000 0.214 150 L C 1.301 178.325 176.870 0.258 0.000 1.120 150 L CA 0.602 55.544 54.840 0.171 0.000 0.799 150 L CB -0.165 41.962 42.059 0.113 0.000 0.925 150 L HN 0.581 8.811 8.230 -0.000 0.000 0.446 151 S N 0.046 115.864 115.700 0.198 0.000 2.430 151 S HA 0.095 4.564 4.470 -0.002 0.000 0.289 151 S C 1.011 175.601 174.600 -0.016 0.000 1.143 151 S CA -0.639 57.619 58.200 0.098 0.000 1.067 151 S CB 1.195 64.437 63.200 0.070 0.000 0.964 151 S HN 0.159 8.469 8.310 -0.000 0.000 0.485 152 K N 4.399 124.582 120.400 -0.362 0.000 2.097 152 K HA -0.119 4.200 4.320 -0.002 0.000 0.206 152 K C 2.001 178.406 176.600 -0.324 0.000 1.049 152 K CA 1.391 57.245 56.287 -0.721 0.000 0.933 152 K CB -0.161 31.674 32.500 -1.107 0.000 0.717 152 K HN 0.715 8.965 8.250 -0.000 0.000 0.442 153 K N 0.454 120.732 120.400 -0.203 0.000 2.063 153 K HA -0.131 4.187 4.320 -0.002 0.000 0.208 153 K C 1.815 178.393 176.600 -0.037 0.000 1.048 153 K CA 1.468 57.687 56.287 -0.113 0.000 0.928 153 K CB 0.019 32.481 32.500 -0.064 0.000 0.713 153 K HN 0.002 8.252 8.250 -0.000 0.000 0.442 154 V N 1.120 121.044 119.914 0.017 0.000 2.358 154 V HA -0.207 3.912 4.120 -0.002 0.000 0.246 154 V C 2.406 178.616 176.094 0.194 0.000 1.047 154 V CA 1.917 64.288 62.300 0.118 0.000 1.035 154 V CB -0.549 31.362 31.823 0.147 0.000 0.658 154 V HN 0.526 8.716 8.190 -0.000 0.000 0.452 155 A N -1.067 121.811 122.820 0.097 0.000 1.972 155 A HA -0.222 4.097 4.320 -0.002 0.000 0.219 155 A C 2.058 179.685 177.584 0.073 0.000 1.169 155 A CA 1.435 53.533 52.037 0.102 0.000 0.635 155 A CB -0.331 18.698 19.000 0.048 0.000 0.810 155 A HN 0.634 8.784 8.150 -0.000 0.000 0.446 156 Q N 0.559 120.298 119.800 -0.102 0.000 2.360 156 Q HA 0.074 4.412 4.340 -0.002 0.000 0.202 156 Q C 0.517 176.557 176.000 0.067 0.000 0.915 156 Q CA 0.262 55.905 55.803 -0.267 0.000 0.943 156 Q CB 0.100 28.519 28.738 -0.531 0.000 1.064 156 Q HN 0.757 9.027 8.270 -0.000 0.000 0.511 157 S N -0.319 115.457 115.700 0.126 0.000 2.576 157 S HA -0.001 4.467 4.470 -0.002 0.000 0.272 157 S C 1.011 175.683 174.600 0.119 0.000 1.352 157 S CA -0.389 57.869 58.200 0.096 0.000 1.021 157 S CB 1.038 64.267 63.200 0.047 0.000 0.887 157 S HN 0.222 8.532 8.310 -0.000 0.000 0.542 158 Q N 0.437 120.268 119.800 0.051 0.000 2.152 158 Q HA -0.220 4.119 4.340 -0.002 0.000 0.206 158 Q C 2.131 178.109 176.000 -0.036 0.000 0.985 158 Q CA 1.854 57.676 55.803 0.031 0.000 0.863 158 Q CB -0.246 28.491 28.738 -0.001 0.000 0.904 158 Q HN 0.932 9.202 8.270 -0.000 0.000 0.422 159 E N -0.423 119.662 120.200 -0.193 0.000 2.118 159 E HA -0.191 4.157 4.350 -0.002 0.000 0.195 159 E C 0.863 177.261 176.600 -0.338 0.000 0.992 159 E CA 1.090 57.250 56.400 -0.400 0.000 0.804 159 E CB 0.162 29.382 29.700 -0.801 0.000 0.741 159 E HN 0.317 8.677 8.360 -0.000 0.000 0.458 160 F N -1.704 118.320 119.950 0.123 0.000 2.712 160 F HA 0.262 4.788 4.527 -0.002 0.000 0.297 160 F C 0.395 176.332 175.800 0.227 0.000 1.114 160 F CA -0.325 57.768 58.000 0.155 0.000 1.305 160 F CB 0.373 39.466 39.000 0.154 0.000 1.086 160 F HN -0.101 8.199 8.300 -0.000 0.000 0.599 161 F N 0.041 120.116 119.950 0.209 0.000 2.577 161 F HA 0.670 5.196 4.527 -0.002 0.000 0.318 161 F C -0.387 175.459 175.800 0.076 0.000 1.065 161 F CA -1.126 56.958 58.000 0.140 0.000 0.929 161 F CB 1.745 40.817 39.000 0.121 0.000 1.237 161 F HN -0.279 8.021 8.300 -0.000 0.000 0.468 162 S N 3.100 118.211 115.700 -0.981 0.000 2.540 162 S HA 0.280 4.749 4.470 -0.002 0.000 0.275 162 S C -0.065 173.781 174.600 -1.256 0.000 1.123 162 S CA -0.745 56.990 58.200 -0.775 0.000 0.907 162 S CB 1.298 64.308 63.200 -0.317 0.000 1.081 162 S HN 0.749 9.059 8.310 -0.000 0.000 0.476 163 D N 2.015 122.004 120.400 -0.685 0.000 2.265 163 D HA -0.107 4.532 4.640 -0.002 0.000 0.208 163 D C 1.023 177.207 176.300 -0.193 0.000 0.977 163 D CA 1.527 55.332 54.000 -0.324 0.000 0.871 163 D CB -0.130 40.607 40.800 -0.105 0.000 0.925 163 D HN 0.756 9.126 8.370 -0.000 0.000 0.485 164 H N -0.386 118.590 119.070 -0.157 0.000 2.547 164 H HA 0.152 4.707 4.556 -0.002 0.000 0.272 164 H C 1.699 176.958 175.328 -0.114 0.000 0.989 164 H CA 0.213 56.215 56.048 -0.076 0.000 1.214 164 H CB 0.388 30.105 29.762 -0.075 0.000 1.389 164 H HN 0.040 8.320 8.280 -0.000 0.000 0.577 165 G N -0.278 108.423 108.800 -0.166 0.000 2.714 165 G HA2 0.328 4.287 3.960 -0.002 0.000 0.197 165 G HA3 0.328 4.287 3.960 -0.002 0.000 0.197 165 G C -0.395 174.480 174.900 -0.041 0.000 1.449 165 G CA -0.300 44.728 45.100 -0.120 0.000 1.065 165 G HN 0.140 8.430 8.290 -0.000 0.000 0.575 166 T N -0.362 114.229 114.554 0.061 0.000 2.909 166 T HA 0.469 4.818 4.350 -0.002 0.000 0.299 166 T C -1.512 173.242 174.700 0.090 0.000 1.073 166 T CA -0.262 61.847 62.100 0.015 0.000 0.999 166 T CB 1.958 70.720 68.868 -0.177 0.000 1.098 166 T HN 0.412 8.652 8.240 -0.000 0.000 0.477 167 L N 3.138 124.339 121.223 -0.037 0.000 2.316 167 L HA 0.666 5.005 4.340 -0.002 0.000 0.280 167 L C -1.586 175.133 176.870 -0.251 0.000 1.006 167 L CA -0.467 54.328 54.840 -0.074 0.000 0.836 167 L CB 0.058 42.028 42.059 -0.149 0.000 1.221 167 L HN 0.544 8.774 8.230 -0.000 0.000 0.418 168 F N 5.634 125.563 119.950 -0.035 0.000 2.404 168 F HA 0.493 5.018 4.527 -0.002 0.000 0.345 168 F C 0.037 175.705 175.800 -0.220 0.000 1.110 168 F CA -0.284 57.640 58.000 -0.127 0.000 1.130 168 F CB 1.127 40.073 39.000 -0.089 0.000 1.129 168 F HN 0.254 8.554 8.300 -0.000 0.000 0.500 169 I N 5.103 125.533 120.570 -0.233 0.000 2.354 169 I HA 0.348 4.516 4.170 -0.002 0.000 0.286 169 I C -0.476 175.460 176.117 -0.302 0.000 1.007 169 I CA -0.169 60.878 61.300 -0.422 0.000 1.167 169 I CB 0.906 38.398 38.000 -0.847 0.000 1.320 169 I HN 0.356 8.566 8.210 -0.000 0.000 0.458 170 I N 5.720 126.114 120.570 -0.294 0.000 2.474 170 I HA 0.423 4.592 4.170 -0.002 0.000 0.294 170 I C -0.070 175.960 176.117 -0.146 0.000 1.005 170 I CA -0.872 60.286 61.300 -0.237 0.000 1.113 170 I CB 1.755 39.598 38.000 -0.262 0.000 1.289 170 I HN 0.438 8.648 8.210 -0.000 0.000 0.436 171 K N 4.543 124.915 120.400 -0.047 0.000 2.334 171 K HA 0.432 4.750 4.320 -0.002 0.000 0.265 171 K C -0.786 175.891 176.600 0.128 0.000 1.039 171 K CA -0.178 56.128 56.287 0.030 0.000 0.920 171 K CB 1.295 33.827 32.500 0.053 0.000 1.160 171 K HN 0.689 8.939 8.250 -0.000 0.000 0.451 172 T N 2.074 116.699 114.554 0.119 0.000 2.885 172 T HA 0.371 4.720 4.350 -0.002 0.000 0.285 172 T C 0.017 174.789 174.700 0.120 0.000 1.019 172 T CA -0.654 61.543 62.100 0.161 0.000 1.010 172 T CB 0.962 69.911 68.868 0.134 0.000 1.022 172 T HN 0.759 8.999 8.240 -0.000 0.000 0.466 173 c N 3.882 122.531 118.600 0.081 0.000 3.642 173 c HA 0.425 4.993 4.570 -0.002 0.000 0.305 173 c C 1.717 175.839 174.090 0.053 0.000 1.492 173 c CA -0.400 55.966 56.329 0.061 0.000 1.809 173 c CB -1.055 41.469 42.510 0.024 0.000 2.639 173 c HN 0.819 9.049 8.230 -0.000 0.000 0.672 174 L N 0.359 121.600 121.223 0.030 0.000 2.781 174 L HA 0.284 4.622 4.340 -0.002 0.000 0.245 174 L C 1.548 178.410 176.870 -0.015 0.000 1.118 174 L CA 0.246 55.083 54.840 -0.006 0.000 0.918 174 L CB -0.198 41.814 42.059 -0.079 0.000 1.246 174 L HN 0.412 8.642 8.230 -0.000 0.000 0.526 175 G N 0.695 109.501 108.800 0.010 0.000 2.491 175 G HA2 0.358 4.316 3.960 -0.002 0.000 0.242 175 G HA3 0.358 4.316 3.960 -0.002 0.000 0.242 175 G C -0.629 174.254 174.900 -0.028 0.000 1.266 175 G CA -0.026 45.054 45.100 -0.032 0.000 0.844 175 G HN -0.112 8.178 8.290 -0.000 0.000 0.571 176 V N 2.166 122.046 119.914 -0.057 0.000 2.540 176 V HA 0.191 4.310 4.120 -0.002 0.000 0.302 176 V C -0.785 175.307 176.094 -0.004 0.000 1.035 176 V CA -0.955 61.337 62.300 -0.013 0.000 0.873 176 V CB 1.670 33.493 31.823 0.001 0.000 0.992 176 V HN 0.679 8.869 8.190 -0.000 0.000 0.428 177 Y N 6.304 126.529 120.300 -0.124 0.000 2.637 177 Y HA 0.323 4.872 4.550 -0.002 0.000 0.350 177 Y C 0.963 176.907 175.900 0.073 0.000 1.069 177 Y CA -0.758 57.301 58.100 -0.068 0.000 1.397 177 Y CB 0.626 39.071 38.460 -0.024 0.000 1.163 177 Y HN 0.661 8.941 8.280 -0.000 0.000 0.527 178 I N 2.919 123.429 120.570 -0.100 0.000 3.889 178 I HA 0.244 4.412 4.170 -0.002 0.000 0.332 178 I C 1.682 177.782 176.117 -0.028 0.000 1.493 178 I CA -0.219 61.101 61.300 0.033 0.000 1.158 178 I CB 0.071 38.081 38.000 0.017 0.000 1.117 178 I HN 0.480 8.690 8.210 -0.000 0.000 0.411 179 K N 1.918 122.041 120.400 -0.462 0.000 2.074 179 K HA -0.202 4.117 4.320 -0.002 0.000 0.209 179 K C 1.570 178.066 176.600 -0.173 0.000 1.048 179 K CA 1.869 57.935 56.287 -0.368 0.000 0.926 179 K CB 0.067 32.166 32.500 -0.668 0.000 0.713 179 K HN 0.392 8.642 8.250 -0.000 0.000 0.444 180 E N -0.373 119.713 120.200 -0.191 0.000 2.338 180 E HA -0.141 4.208 4.350 -0.002 0.000 0.197 180 E C 1.479 177.929 176.600 -0.250 0.000 1.007 180 E CA 0.941 57.206 56.400 -0.224 0.000 0.849 180 E CB -0.027 29.476 29.700 -0.329 0.000 0.774 180 E HN 0.438 8.798 8.360 -0.000 0.000 0.506 181 F N -0.147 119.788 119.950 -0.025 0.000 2.731 181 F HA 0.131 4.657 4.527 -0.003 0.000 0.298 181 F C 1.427 177.183 175.800 -0.074 0.000 1.106 181 F CA -0.241 57.768 58.000 0.016 0.000 1.329 181 F CB 0.374 39.403 39.000 0.047 0.000 1.100 181 F HN -0.262 8.038 8.300 -0.000 0.000 0.592 182 S N -0.289 115.475 115.700 0.106 0.000 2.580 182 S HA 0.109 4.578 4.470 -0.002 0.000 0.274 182 S C 0.954 175.563 174.600 0.015 0.000 1.329 182 S CA -0.491 57.747 58.200 0.062 0.000 1.036 182 S CB 0.375 63.636 63.200 0.100 0.000 0.919 182 S HN 0.172 8.482 8.310 -0.000 0.000 0.515 183 F N 2.702 122.699 119.950 0.078 0.000 2.451 183 F HA 0.147 4.673 4.527 -0.002 0.000 0.299 183 F C 1.561 177.387 175.800 0.044 0.000 1.101 183 F CA 0.924 58.955 58.000 0.052 0.000 1.436 183 F CB 0.126 39.151 39.000 0.041 0.000 1.074 183 F HN 0.425 8.725 8.300 -0.000 0.000 0.553 184 R N -0.587 120.046 120.500 0.222 0.000 2.585 184 R HA 0.186 4.525 4.340 -0.002 0.000 0.278 184 R C -2.155 174.209 176.300 0.106 0.000 1.663 184 R CA -1.372 54.818 56.100 0.150 0.000 1.592 184 R CB 0.570 30.962 30.300 0.153 0.000 1.200 184 R HN -0.044 8.226 8.270 -0.000 0.000 0.611 185 P HA -0.272 4.148 4.420 -0.000 0.000 0.216 185 P C 0.842 178.176 177.300 0.057 0.000 1.154 185 P CA 1.453 64.573 63.100 0.034 0.000 0.865 185 P CB 0.160 31.871 31.700 0.019 0.000 0.789 186 D N -0.278 120.165 120.400 0.072 0.000 2.271 186 D HA -0.241 4.398 4.640 -0.002 0.000 0.207 186 D C 1.490 177.853 176.300 0.106 0.000 0.983 186 D CA 1.062 55.111 54.000 0.082 0.000 0.878 186 D CB -0.843 40.000 40.800 0.072 0.000 0.920 186 D HN 0.331 8.701 8.370 -0.000 0.000 0.479 187 Q N -0.152 119.720 119.800 0.120 0.000 2.488 187 Q HA -0.064 4.274 4.340 -0.002 0.000 0.211 187 Q C -0.148 175.940 176.000 0.146 0.000 0.967 187 Q CA 0.183 56.077 55.803 0.152 0.000 0.926 187 Q CB 0.077 28.925 28.738 0.184 0.000 0.992 187 Q HN 0.180 8.450 8.270 -0.000 0.000 0.506 188 E N 1.311 121.597 120.200 0.142 0.000 2.238 188 E HA -0.234 4.115 4.350 -0.002 0.000 0.219 188 E C -0.490 176.244 176.600 0.223 0.000 1.275 188 E CA 0.836 57.374 56.400 0.230 0.000 0.714 188 E CB -1.510 28.337 29.700 0.245 0.000 1.154 188 E HN 0.556 8.916 8.360 -0.000 0.000 0.363 189 E N 0.001 120.268 120.200 0.110 0.000 2.360 189 E HA 0.252 4.601 4.350 -0.002 0.000 0.269 189 E C -0.562 176.091 176.600 0.090 0.000 1.022 189 E CA -0.276 56.178 56.400 0.089 0.000 0.887 189 E CB 0.848 30.595 29.700 0.077 0.000 0.990 189 E HN -0.025 8.335 8.360 -0.000 0.000 0.426 190 V N 6.154 126.104 119.914 0.061 0.000 2.407 190 V HA 0.218 4.336 4.120 -0.002 0.000 0.291 190 V C -0.571 175.503 176.094 -0.034 0.000 1.018 190 V CA -0.818 61.481 62.300 -0.003 0.000 0.842 190 V CB 1.282 33.047 31.823 -0.097 0.000 0.996 190 V HN 0.592 8.782 8.190 -0.000 0.000 0.426 191 L N 7.373 128.573 121.223 -0.040 0.000 2.275 191 L HA 0.633 4.972 4.340 -0.002 0.000 0.288 191 L C -0.421 176.402 176.870 -0.077 0.000 1.046 191 L CA 0.295 55.104 54.840 -0.052 0.000 0.805 191 L CB 0.963 42.970 42.059 -0.087 0.000 1.193 191 L HN 0.517 8.747 8.230 -0.000 0.000 0.426 192 I N 7.103 127.617 120.570 -0.093 0.000 2.404 192 I HA 0.432 4.600 4.170 -0.002 0.000 0.293 192 I C -2.091 173.875 176.117 -0.253 0.000 0.992 192 I CA -2.006 59.213 61.300 -0.134 0.000 1.149 192 I CB 1.776 39.728 38.000 -0.080 0.000 1.315 192 I HN 0.515 8.725 8.210 -0.000 0.000 0.446 193 P HA 0.040 4.460 4.420 -0.000 0.000 0.271 193 P C 0.739 177.587 177.300 -0.753 0.000 1.218 193 P CA -0.104 62.474 63.100 -0.871 0.000 0.780 193 P CB 0.898 31.817 31.700 -1.303 0.000 0.901 194 G N 1.400 109.768 108.800 -0.721 0.000 2.776 194 G HA2 -0.177 3.782 3.960 -0.002 0.000 0.209 194 G HA3 -0.177 3.782 3.960 -0.002 0.000 0.209 194 G C 0.685 175.449 174.900 -0.226 0.000 1.145 194 G CA 0.157 45.063 45.100 -0.322 0.000 0.791 194 G HN 0.634 8.924 8.290 -0.000 0.000 0.530 195 Y N -0.749 119.420 120.300 -0.218 0.000 2.468 195 Y HA 0.459 5.008 4.550 -0.002 0.000 0.268 195 Y C 0.765 176.540 175.900 -0.209 0.000 1.177 195 Y CA -1.567 56.415 58.100 -0.198 0.000 1.265 195 Y CB -0.338 37.999 38.460 -0.205 0.000 1.103 195 Y HN 0.158 8.438 8.280 -0.000 0.000 0.522 196 E N 1.600 121.630 120.200 -0.284 0.000 2.338 196 E HA 0.399 4.747 4.350 -0.002 0.000 0.272 196 E C -1.099 175.188 176.600 -0.522 0.000 1.029 196 E CA -0.456 55.739 56.400 -0.342 0.000 0.872 196 E CB 0.953 30.428 29.700 -0.375 0.000 1.015 196 E HN 0.139 8.499 8.360 -0.000 0.000 0.417 197 V N 5.236 124.829 119.914 -0.535 0.000 2.459 197 V HA 0.234 4.353 4.120 -0.002 0.000 0.295 197 V C -1.103 174.585 176.094 -0.677 0.000 1.029 197 V CA -0.732 61.257 62.300 -0.518 0.000 0.874 197 V CB 0.994 32.673 31.823 -0.240 0.000 0.985 197 V HN 0.584 8.774 8.190 -0.000 0.000 0.438 198 Y N 3.155 123.388 120.300 -0.111 0.000 2.385 198 Y HA 0.370 4.919 4.550 -0.002 0.000 0.341 198 Y C 1.193 177.040 175.900 -0.089 0.000 0.965 198 Y CA -0.469 57.570 58.100 -0.103 0.000 1.180 198 Y CB 1.228 39.604 38.460 -0.140 0.000 1.139 198 Y HN 0.614 8.894 8.280 -0.000 0.000 0.502 199 Q N 1.870 121.681 119.800 0.019 0.000 2.408 199 Q HA 0.039 4.377 4.340 -0.002 0.000 0.205 199 Q C 0.240 176.246 176.000 0.009 0.000 0.919 199 Q CA 0.430 56.236 55.803 0.007 0.000 0.932 199 Q CB 0.653 29.386 28.738 -0.009 0.000 1.058 199 Q HN 0.430 8.700 8.270 -0.000 0.000 0.517 200 K N 1.039 121.445 120.400 0.009 0.000 2.535 200 K HA 0.383 4.701 4.320 -0.002 0.000 0.253 200 K C -1.660 174.893 176.600 -0.078 0.000 0.953 200 K CA -0.339 55.934 56.287 -0.022 0.000 0.863 200 K CB 1.447 33.947 32.500 0.001 0.000 1.111 200 K HN -0.189 8.061 8.250 -0.000 0.000 0.431 201 V N 4.250 124.029 119.914 -0.225 0.000 2.495 201 V HA 0.547 4.666 4.120 -0.002 0.000 0.298 201 V C -0.523 175.411 176.094 -0.266 0.000 1.031 201 V CA -0.913 61.150 62.300 -0.395 0.000 0.871 201 V CB 1.599 32.762 31.823 -1.100 0.000 0.988 201 V HN 0.739 8.929 8.190 -0.000 0.000 0.432 202 R N 2.066 122.529 120.500 -0.062 0.000 2.532 202 R HA 0.576 4.915 4.340 -0.002 0.000 0.297 202 R C -0.701 175.698 176.300 0.166 0.000 0.984 202 R CA -0.324 55.803 56.100 0.044 0.000 0.884 202 R CB 1.897 32.186 30.300 -0.018 0.000 1.182 202 R HN 0.781 9.051 8.270 -0.000 0.000 0.442 203 T N 3.441 118.095 114.554 0.168 0.000 2.897 203 T HA 0.184 4.533 4.350 -0.002 0.000 0.294 203 T C -0.637 174.165 174.700 0.170 0.000 1.004 203 T CA -0.154 62.059 62.100 0.189 0.000 1.106 203 T CB 1.244 70.215 68.868 0.172 0.000 0.949 203 T HN 0.539 8.779 8.240 -0.000 0.000 0.520 204 Q N 1.410 121.331 119.800 0.201 0.000 2.331 204 Q HA 0.518 4.856 4.340 -0.002 0.000 0.272 204 Q C 0.491 176.566 176.000 0.124 0.000 1.062 204 Q CA -0.125 55.786 55.803 0.179 0.000 0.806 204 Q CB 1.435 30.372 28.738 0.333 0.000 1.312 204 Q HN 0.907 9.177 8.270 -0.000 0.000 0.431 205 G N 2.429 111.295 108.800 0.110 0.000 2.574 205 G HA2 -0.412 3.547 3.960 -0.002 0.000 0.286 205 G HA3 -0.412 3.547 3.960 -0.002 0.000 0.286 205 G C -0.081 174.914 174.900 0.158 0.000 1.212 205 G CA 0.993 46.166 45.100 0.122 0.000 0.979 205 G HN 1.127 9.417 8.290 -0.000 0.000 0.557 206 Y N 0.347 120.708 120.300 0.101 0.000 2.453 206 Y HA 0.492 5.041 4.550 -0.002 0.000 0.247 206 Y C 1.183 177.164 175.900 0.135 0.000 1.124 206 Y CA 0.531 58.695 58.100 0.107 0.000 1.243 206 Y CB 0.180 38.696 38.460 0.094 0.000 1.213 206 Y HN 0.675 8.955 8.280 -0.000 0.000 0.523 207 N N -0.493 117.963 118.700 -0.406 0.000 2.286 207 N HA 0.148 4.887 4.740 -0.002 0.000 0.245 207 N C -1.198 174.222 175.510 -0.150 0.000 1.363 207 N CA -0.334 52.590 53.050 -0.211 0.000 0.822 207 N CB -0.224 38.107 38.487 -0.260 0.000 1.345 207 N HN 0.409 8.789 8.380 -0.000 0.000 0.494 208 E N 0.746 120.878 120.200 -0.115 0.000 2.199 208 E HA 0.564 4.913 4.350 -0.002 0.000 0.269 208 E C -0.735 175.844 176.600 -0.034 0.000 0.899 208 E CA -0.629 55.706 56.400 -0.107 0.000 0.772 208 E CB 2.380 32.052 29.700 -0.046 0.000 1.155 208 E HN 0.161 8.521 8.360 -0.000 0.000 0.408 209 I N 3.010 123.493 120.570 -0.145 0.000 2.499 209 I HA 0.302 4.471 4.170 -0.002 0.000 0.288 209 I C -1.142 174.942 176.117 -0.054 0.000 1.048 209 I CA -0.747 60.557 61.300 0.006 0.000 1.062 209 I CB 1.147 39.164 38.000 0.029 0.000 1.238 209 I HN 0.400 8.610 8.210 -0.000 0.000 0.426 210 F N 6.418 126.369 119.950 0.002 0.000 2.405 210 F HA 0.465 4.991 4.527 -0.002 0.000 0.355 210 F C -0.022 175.731 175.800 -0.078 0.000 1.121 210 F CA -0.419 57.566 58.000 -0.025 0.000 1.112 210 F CB 1.037 40.019 39.000 -0.029 0.000 1.126 210 F HN 0.131 8.431 8.300 -0.000 0.000 0.481 211 L N 4.370 125.581 121.223 -0.020 0.000 2.280 211 L HA 0.465 4.803 4.340 -0.002 0.000 0.287 211 L C -0.459 176.380 176.870 -0.052 0.000 1.023 211 L CA -0.365 54.373 54.840 -0.170 0.000 0.819 211 L CB 1.197 42.880 42.059 -0.628 0.000 1.212 211 L HN 0.568 8.798 8.230 -0.000 0.000 0.420 212 D N 0.532 120.977 120.400 0.075 0.000 2.732 212 D HA 0.326 4.965 4.640 -0.002 0.000 0.292 212 D C -0.262 176.124 176.300 0.142 0.000 1.135 212 D CA -0.394 53.677 54.000 0.118 0.000 1.071 212 D CB 2.296 43.141 40.800 0.075 0.000 1.457 212 D HN 0.322 8.692 8.370 -0.000 0.000 0.547 213 S N 0.414 116.166 115.700 0.088 0.000 3.608 213 S HA -0.100 4.369 4.470 -0.002 0.000 0.382 213 S C -2.499 172.121 174.600 0.034 0.000 0.945 213 S CA 0.112 58.340 58.200 0.047 0.000 1.256 213 S CB -1.182 62.032 63.200 0.025 0.000 0.913 213 S HN 0.308 8.618 8.310 -0.000 0.000 0.518 214 P HA 0.368 4.788 4.420 -0.000 0.000 0.275 214 P C -0.332 176.901 177.300 -0.112 0.000 1.227 214 P CA -0.092 62.956 63.100 -0.086 0.000 0.781 214 P CB 0.904 32.613 31.700 0.015 0.000 0.906 215 K N 1.873 122.162 120.400 -0.184 0.000 2.527 215 K HA 0.438 4.757 4.320 -0.002 0.000 0.260 215 K C -1.009 175.517 176.600 -0.123 0.000 0.937 215 K CA -1.100 55.117 56.287 -0.116 0.000 0.826 215 K CB 2.207 34.654 32.500 -0.088 0.000 1.359 215 K HN 0.257 8.507 8.250 -0.000 0.000 0.434 216 R N 2.990 123.452 120.500 -0.064 0.000 2.265 216 R HA 0.255 4.594 4.340 -0.002 0.000 0.314 216 R C -0.936 175.336 176.300 -0.046 0.000 1.053 216 R CA -0.208 55.879 56.100 -0.023 0.000 0.931 216 R CB 0.751 31.062 30.300 0.018 0.000 1.024 216 R HN 0.632 8.902 8.270 -0.000 0.000 0.457 217 K N 3.152 123.522 120.400 -0.050 0.000 2.385 217 K HA 0.237 4.555 4.320 -0.002 0.000 0.248 217 K C -0.784 175.758 176.600 -0.096 0.000 0.955 217 K CA -1.062 55.181 56.287 -0.073 0.000 0.816 217 K CB 2.108 34.561 32.500 -0.079 0.000 1.250 217 K HN 0.585 8.835 8.250 -0.000 0.000 0.434 218 K N 0.389 120.721 120.400 -0.114 0.000 2.336 218 K HA 0.172 4.490 4.320 -0.002 0.000 0.262 218 K C -0.334 176.169 176.600 -0.161 0.000 0.992 218 K CA -0.118 56.077 56.287 -0.154 0.000 0.927 218 K CB 0.666 33.084 32.500 -0.136 0.000 0.956 218 K HN 0.282 8.532 8.250 -0.000 0.000 0.495 219 S N 0.637 116.210 115.700 -0.212 0.000 2.707 219 S HA 0.095 4.564 4.470 -0.002 0.000 0.276 219 S C 0.695 175.165 174.600 -0.217 0.000 1.179 219 S CA -0.872 57.206 58.200 -0.204 0.000 0.992 219 S CB 1.099 64.140 63.200 -0.266 0.000 1.030 219 S HN 0.757 9.067 8.310 -0.000 0.000 0.554 220 N N -0.888 117.667 118.700 -0.241 0.000 2.354 220 N HA 0.038 4.777 4.740 -0.002 0.000 0.179 220 N C -0.766 174.415 175.510 -0.548 0.000 1.021 220 N CA 0.855 53.681 53.050 -0.375 0.000 0.887 220 N CB 0.046 38.279 38.487 -0.424 0.000 0.974 220 N HN 0.444 8.824 8.380 -0.000 0.000 0.437 221 Y N -0.067 120.077 120.300 -0.260 0.000 2.429 221 Y HA 0.458 5.007 4.550 -0.002 0.000 0.342 221 Y C -0.498 175.180 175.900 -0.371 0.000 1.004 221 Y CA -1.193 56.728 58.100 -0.297 0.000 1.075 221 Y CB 1.533 39.752 38.460 -0.402 0.000 1.214 221 Y HN -0.168 8.112 8.280 -0.000 0.000 0.455 222 N N 0.221 118.834 118.700 -0.144 0.000 2.454 222 N HA 0.296 5.035 4.740 -0.002 0.000 0.291 222 N C -1.093 174.331 175.510 -0.143 0.000 1.079 222 N CA -0.480 52.443 53.050 -0.213 0.000 0.893 222 N CB 1.016 39.400 38.487 -0.172 0.000 1.512 222 N HN 0.722 9.102 8.380 -0.000 0.000 0.497 223 c N 2.753 121.256 118.600 -0.162 0.000 4.165 223 c HA -0.168 4.401 4.570 -0.002 0.000 0.299 223 c C 1.868 175.961 174.090 0.005 0.000 1.445 223 c CA 0.326 56.661 56.329 0.009 0.000 2.029 223 c CB -2.753 39.774 42.510 0.029 0.000 1.288 223 c HN 0.810 9.040 8.230 -0.000 0.000 0.752 224 L N -0.086 121.100 121.223 -0.062 0.000 2.043 224 L HA -0.135 4.204 4.340 -0.002 0.000 0.212 224 L C 1.774 178.496 176.870 -0.247 0.000 1.075 224 L CA 2.334 57.057 54.840 -0.195 0.000 0.752 224 L CB -0.384 41.451 42.059 -0.374 0.000 0.891 224 L HN 0.576 8.806 8.230 -0.000 0.000 0.432 225 Y N -0.837 119.569 120.300 0.177 0.000 2.625 225 Y HA 0.330 4.879 4.550 -0.002 0.000 0.285 225 Y C 1.419 177.357 175.900 0.063 0.000 1.168 225 Y CA -0.284 57.886 58.100 0.117 0.000 1.250 225 Y CB -0.963 37.575 38.460 0.131 0.000 1.130 225 Y HN 0.177 8.457 8.280 -0.000 0.000 0.526 226 S N 0.000 115.790 115.700 0.150 0.000 2.498 226 S HA 0.000 4.469 4.470 -0.002 0.000 0.327 226 S CA 0.000 58.241 58.200 0.068 0.000 1.107 226 S CB 0.000 63.231 63.200 0.052 0.000 0.593 226 S HN 0.000 8.310 8.310 -0.000 0.000 0.517