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 2rg0_1_A DATA FIRST_RESID 2 DATA SEQUENCE RAGNETPENH PPLTWQRcTA PGNcQTVNAE VVIDANWRWL HDDNMQNcYD DATA SEQUENCE GNQWTNAcST ATDcAEKcMI EGAGDYLGTY GASTSGDALT LKFVTKHEYG DATA SEQUENCE TNVGSRFYLM NGPDKYQMFN LMGNELAFDV DLSTVEcGIN SALYFVAMEE DATA SEQUENCE DGGMASYPSN QAGARYGTGY cDAQcARDLK FVGGKANIEG WKSSTSDPNA DATA SEQUENCE GVGPYGSccA EIDVWESNAY AFAFTPHAcT TNEYHVcETT NcGGTYSEDR DATA SEQUENCE FAGKcDANGc DYNPYRMGNP DFYGKGKTLD TSRKFTVVSR FEENKLSQYF DATA SEQUENCE IQDGRKIEIP PPTWEGMPNS SEITPELcST MFDVFNDRNR FEEVGGFEQL DATA SEQUENCE NNALRVPMVL VMSIWDDHYA NMLWLDSIYP PEKEGQPGAA RGDcPTDSGV DATA SEQUENCE PAEVEAQFPD AQVVWSNIRF GPIGSTYDF 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.139 176.300 -0.269 0.000 0.893 2 R CA 0.000 55.983 56.100 -0.195 0.000 0.921 2 R CB 0.000 30.221 30.300 -0.131 0.000 0.687 3 A N 0.520 123.182 122.820 -0.264 0.000 2.309 3 A HA 0.670 4.990 4.320 0.000 0.000 0.298 3 A C 0.308 177.819 177.584 -0.123 0.000 1.165 3 A CA 0.016 51.858 52.037 -0.325 0.000 0.821 3 A CB 0.848 19.660 19.000 -0.313 0.000 1.102 3 A HN 0.720 nan 8.150 nan 0.000 0.500 4 G N 1.227 110.010 108.800 -0.029 0.000 2.349 4 G HA2 0.332 4.293 3.960 0.000 0.000 0.281 4 G HA3 0.332 4.293 3.960 0.000 0.000 0.281 4 G C 0.268 175.275 174.900 0.180 0.000 1.182 4 G CA -0.543 44.642 45.100 0.143 0.000 0.899 4 G HN 0.777 nan 8.290 nan 0.000 0.455 5 N N 1.866 120.658 118.700 0.153 0.000 2.412 5 N HA -0.059 4.682 4.740 0.000 0.000 0.184 5 N C 1.421 176.988 175.510 0.095 0.000 1.101 5 N CA 0.280 53.395 53.050 0.109 0.000 0.881 5 N CB 0.752 39.287 38.487 0.081 0.000 0.969 5 N HN 0.574 nan 8.380 nan 0.000 0.459 6 E N 0.414 120.678 120.200 0.106 0.000 2.112 6 E HA 0.077 4.427 4.350 0.000 0.000 0.190 6 E C 0.072 176.691 176.600 0.032 0.000 0.979 6 E CA 0.811 57.238 56.400 0.044 0.000 0.814 6 E CB 0.258 29.952 29.700 -0.009 0.000 0.762 6 E HN -0.018 nan 8.360 nan 0.000 0.460 7 T N 1.777 116.367 114.554 0.059 0.000 2.859 7 T HA 0.405 4.755 4.350 0.000 0.000 0.281 7 T C -2.650 172.080 174.700 0.051 0.000 1.005 7 T CA -1.671 60.452 62.100 0.038 0.000 1.025 7 T CB 1.618 70.504 68.868 0.030 0.000 0.977 7 T HN -0.030 nan 8.240 nan 0.000 0.458 8 P HA 0.356 nan 4.420 nan 0.000 0.293 8 P C -0.853 176.416 177.300 -0.052 0.000 1.313 8 P CA -0.585 62.509 63.100 -0.011 0.000 0.787 8 P CB 0.868 32.559 31.700 -0.015 0.000 0.910 9 E N 3.838 123.956 120.200 -0.137 0.000 2.166 9 E HA 0.094 4.445 4.350 0.000 0.000 0.279 9 E C -0.537 175.936 176.600 -0.211 0.000 1.095 9 E CA -0.093 56.173 56.400 -0.224 0.000 0.888 9 E CB -0.303 29.048 29.700 -0.581 0.000 1.041 9 E HN 0.178 nan 8.360 nan 0.000 0.414 10 N N 3.753 122.439 118.700 -0.024 0.000 2.455 10 N HA 0.150 4.891 4.740 0.000 0.000 0.280 10 N C -0.981 174.676 175.510 0.246 0.000 1.055 10 N CA -0.211 52.878 53.050 0.065 0.000 0.961 10 N CB 0.740 39.305 38.487 0.131 0.000 1.121 10 N HN 0.546 nan 8.380 nan 0.000 0.476 11 H N 1.954 121.065 119.070 0.068 0.000 2.691 11 H HA 0.278 4.835 4.556 0.001 0.000 0.281 11 H C -1.937 173.401 175.328 0.017 0.000 1.121 11 H CA -1.821 54.248 56.048 0.036 0.000 1.254 11 H CB 1.213 30.981 29.762 0.010 0.000 1.390 11 H HN 0.325 nan 8.280 nan 0.000 0.491 12 P HA 0.035 nan 4.420 nan 0.000 0.269 12 P C -2.537 174.778 177.300 0.025 0.000 1.215 12 P CA -1.296 61.824 63.100 0.033 0.000 0.780 12 P CB 0.483 32.155 31.700 -0.047 0.000 0.898 13 P HA 0.335 nan 4.420 nan 0.000 0.278 13 P C -1.077 176.242 177.300 0.032 0.000 1.266 13 P CA -0.251 62.874 63.100 0.041 0.000 0.807 13 P CB 0.709 32.434 31.700 0.041 0.000 1.094 14 L N 0.866 122.129 121.223 0.067 0.000 2.513 14 L HA 0.177 4.517 4.340 0.000 0.000 0.256 14 L C -0.278 176.690 176.870 0.163 0.000 1.163 14 L CA 0.000 54.889 54.840 0.082 0.000 0.895 14 L CB -0.296 41.792 42.059 0.049 0.000 1.076 14 L HN 0.513 nan 8.230 nan 0.000 0.491 15 T N 0.674 115.296 114.554 0.114 0.000 2.908 15 T HA 0.354 4.705 4.350 0.000 0.000 0.301 15 T C 0.069 174.889 174.700 0.201 0.000 1.019 15 T CA -0.094 62.066 62.100 0.100 0.000 1.152 15 T CB 0.405 69.286 68.868 0.022 0.000 0.966 15 T HN 0.623 nan 8.240 nan 0.000 0.540 16 W N 2.835 124.159 121.300 0.040 0.000 3.165 16 W HA 0.672 5.332 4.660 0.000 0.000 0.351 16 W C -1.457 175.100 176.519 0.063 0.000 1.164 16 W CA -1.214 56.168 57.345 0.061 0.000 1.074 16 W CB 1.374 30.890 29.460 0.094 0.000 1.499 16 W HN 0.870 nan 8.180 nan 0.000 0.600 17 Q N 1.920 121.813 119.800 0.154 0.000 2.378 17 Q HA 0.351 4.691 4.340 0.000 0.000 0.262 17 Q C -1.476 174.520 176.000 -0.006 0.000 0.978 17 Q CA -0.643 54.995 55.803 -0.275 0.000 0.918 17 Q CB 2.277 30.937 28.738 -0.129 0.000 1.415 17 Q HN 0.674 nan 8.270 nan 0.000 0.409 18 R N 0.842 121.226 120.500 -0.195 0.000 2.756 18 R HA 0.279 4.619 4.340 0.000 0.000 0.264 18 R C -0.559 175.778 176.300 0.061 0.000 1.026 18 R CA 0.480 56.643 56.100 0.104 0.000 1.121 18 R CB 0.643 30.976 30.300 0.055 0.000 0.999 18 R HN 0.624 nan 8.270 nan 0.000 0.449 19 c N 2.557 121.222 118.600 0.108 0.000 2.437 19 c HA 0.148 4.718 4.570 0.000 0.000 0.307 19 c C 1.727 175.836 174.090 0.032 0.000 1.093 19 c CA -0.537 55.815 56.329 0.037 0.000 1.463 19 c CB 0.270 42.792 42.510 0.020 0.000 1.926 19 c HN 1.010 nan 8.230 nan 0.000 0.420 20 T N 1.595 116.156 114.554 0.012 0.000 2.612 20 T HA 0.115 4.466 4.350 0.000 0.000 0.259 20 T C 0.788 175.490 174.700 0.004 0.000 1.065 20 T CA 1.370 63.479 62.100 0.015 0.000 1.167 20 T CB 0.082 68.953 68.868 0.006 0.000 0.863 20 T HN 0.777 nan 8.240 nan 0.000 0.407 21 A N 1.851 124.663 122.820 -0.014 0.000 2.354 21 A HA 0.705 5.025 4.320 0.000 0.000 0.321 21 A C -2.660 174.898 177.584 -0.042 0.000 1.125 21 A CA -2.316 49.709 52.037 -0.021 0.000 0.799 21 A CB 1.105 20.094 19.000 -0.019 0.000 1.293 21 A HN 0.381 nan 8.150 nan 0.000 0.452 22 P HA 0.203 nan 4.420 nan 0.000 0.238 22 P C 0.693 177.942 177.300 -0.086 0.000 1.729 22 P CA 1.392 64.448 63.100 -0.073 0.000 1.055 22 P CB -0.165 31.504 31.700 -0.052 0.000 1.980 23 G N 1.632 110.377 108.800 -0.090 0.000 3.617 23 G HA2 -0.129 3.831 3.960 0.000 0.000 0.217 23 G HA3 -0.129 3.831 3.960 0.000 0.000 0.217 23 G C 0.200 175.061 174.900 -0.066 0.000 0.967 23 G CA -0.402 44.651 45.100 -0.079 0.000 0.878 23 G HN 0.353 nan 8.290 nan 0.000 0.439 24 N N 1.257 119.924 118.700 -0.055 0.000 3.194 24 N HA 0.418 5.159 4.740 0.000 0.000 0.271 24 N C -0.803 174.679 175.510 -0.046 0.000 1.308 24 N CA 0.142 53.165 53.050 -0.044 0.000 1.042 24 N CB 0.742 39.210 38.487 -0.031 0.000 1.310 24 N HN 0.247 nan 8.380 nan 0.000 0.502 25 c N 0.820 119.384 118.600 -0.060 0.000 2.355 25 c HA 0.417 4.987 4.570 0.000 0.000 0.332 25 c C 0.456 174.506 174.090 -0.067 0.000 1.255 25 c CA -0.816 55.477 56.329 -0.060 0.000 1.792 25 c CB 1.672 44.136 42.510 -0.078 0.000 2.300 25 c HN 0.473 nan 8.230 nan 0.000 0.515 26 Q N 1.859 121.611 119.800 -0.079 0.000 2.342 26 Q HA 0.369 4.709 4.340 0.000 0.000 0.267 26 Q C -0.845 175.048 176.000 -0.178 0.000 1.038 26 Q CA 0.045 55.784 55.803 -0.106 0.000 0.832 26 Q CB 1.909 30.591 28.738 -0.092 0.000 1.323 26 Q HN 0.738 nan 8.270 nan 0.000 0.448 27 T N 2.326 116.770 114.554 -0.183 0.000 2.869 27 T HA 0.386 4.736 4.350 0.000 0.000 0.295 27 T C -0.549 173.947 174.700 -0.339 0.000 0.987 27 T CA -0.228 61.729 62.100 -0.239 0.000 1.109 27 T CB 0.594 69.380 68.868 -0.138 0.000 0.932 27 T HN 0.388 nan 8.240 nan 0.000 0.518 28 V N 5.175 124.757 119.914 -0.553 0.000 2.409 28 V HA 0.327 4.447 4.120 0.000 0.000 0.291 28 V C 0.662 176.580 176.094 -0.293 0.000 1.020 28 V CA -0.954 60.996 62.300 -0.582 0.000 0.848 28 V CB 1.461 32.555 31.823 -1.215 0.000 0.990 28 V HN 0.866 nan 8.190 nan 0.000 0.430 29 N N 3.465 122.093 118.700 -0.120 0.000 3.111 29 N HA 0.264 5.004 4.740 0.000 0.000 0.302 29 N C 0.735 176.281 175.510 0.060 0.000 1.317 29 N CA -0.130 52.909 53.050 -0.018 0.000 1.151 29 N CB 0.742 39.219 38.487 -0.016 0.000 1.456 29 N HN 0.843 nan 8.380 nan 0.000 0.547 30 A N 1.770 124.683 122.820 0.154 0.000 2.250 30 A HA 0.072 4.392 4.320 0.000 0.000 0.284 30 A C 0.779 178.448 177.584 0.142 0.000 1.269 30 A CA 0.339 52.519 52.037 0.237 0.000 0.834 30 A CB 0.326 19.613 19.000 0.479 0.000 1.146 30 A HN 0.571 nan 8.150 nan 0.000 0.509 31 E N -2.734 117.533 120.200 0.111 0.000 2.460 31 E HA 0.635 4.985 4.350 0.000 0.000 0.277 31 E C -1.481 175.116 176.600 -0.005 0.000 1.010 31 E CA -0.830 55.604 56.400 0.056 0.000 0.838 31 E CB 1.424 31.170 29.700 0.077 0.000 1.448 31 E HN 0.856 nan 8.360 nan 0.000 0.462 32 V N -1.524 118.355 119.914 -0.058 0.000 3.114 32 V HA 0.803 4.923 4.120 0.000 0.000 0.308 32 V C -0.795 175.180 176.094 -0.199 0.000 1.168 32 V CA -0.919 61.330 62.300 -0.084 0.000 1.015 32 V CB 1.443 33.250 31.823 -0.027 0.000 1.050 32 V HN 0.612 nan 8.190 nan 0.000 0.433 33 V N 2.294 122.108 119.914 -0.166 0.000 3.159 33 V HA 0.650 4.770 4.120 0.000 0.000 0.308 33 V C -1.140 174.837 176.094 -0.195 0.000 1.190 33 V CA -0.742 61.440 62.300 -0.197 0.000 1.037 33 V CB 2.299 33.921 31.823 -0.336 0.000 1.060 33 V HN 0.914 nan 8.190 nan 0.000 0.437 34 I N 2.086 122.522 120.570 -0.223 0.000 2.577 34 I HA 0.369 4.539 4.170 0.000 0.000 0.305 34 I C -0.112 175.908 176.117 -0.162 0.000 0.986 34 I CA -0.353 60.636 61.300 -0.519 0.000 1.189 34 I CB 1.860 39.503 38.000 -0.595 0.000 1.355 34 I HN 0.830 nan 8.210 nan 0.000 0.476 35 D N 3.484 123.756 120.400 -0.212 0.000 2.423 35 D HA 0.080 4.720 4.640 0.000 0.000 0.238 35 D C 0.939 177.374 176.300 0.225 0.000 1.142 35 D CA 0.404 54.481 54.000 0.127 0.000 0.884 35 D CB 1.413 42.282 40.800 0.115 0.000 1.199 35 D HN 0.577 nan 8.370 nan 0.000 0.438 36 A N 3.516 126.508 122.820 0.287 0.000 2.070 36 A HA -0.215 4.105 4.320 0.000 0.000 0.220 36 A C 1.883 179.679 177.584 0.354 0.000 1.159 36 A CA 1.156 53.368 52.037 0.292 0.000 0.656 36 A CB -0.483 18.668 19.000 0.251 0.000 0.800 36 A HN 0.666 nan 8.150 nan 0.000 0.453 37 N N -0.952 118.008 118.700 0.433 0.000 2.443 37 N HA -0.108 4.632 4.740 0.000 0.000 0.184 37 N C 0.887 176.524 175.510 0.211 0.000 1.037 37 N CA 0.806 54.027 53.050 0.286 0.000 0.896 37 N CB -0.180 38.399 38.487 0.153 0.000 0.959 37 N HN 0.746 nan 8.380 nan 0.000 0.442 38 W N 1.087 122.412 121.300 0.041 0.000 3.325 38 W HA 0.204 4.864 4.660 0.000 0.000 0.370 38 W C -0.177 176.383 176.519 0.069 0.000 1.169 38 W CA -0.513 56.839 57.345 0.012 0.000 1.874 38 W CB 0.230 29.522 29.460 -0.279 0.000 1.076 38 W HN -0.104 nan 8.180 nan 0.000 0.684 39 R N -0.651 120.052 120.500 0.339 0.000 2.778 39 R HA 0.285 4.625 4.340 0.000 0.000 0.277 39 R C -0.872 175.696 176.300 0.446 0.000 0.977 39 R CA -0.895 55.418 56.100 0.356 0.000 0.950 39 R CB 1.304 31.772 30.300 0.279 0.000 1.165 39 R HN -0.231 nan 8.270 nan 0.000 0.474 40 W N 2.169 123.577 121.300 0.180 0.000 2.218 40 W HA 0.194 4.855 4.660 0.001 0.000 0.326 40 W C -0.237 176.404 176.519 0.203 0.000 1.276 40 W CA -0.104 57.337 57.345 0.159 0.000 1.210 40 W CB 0.472 30.009 29.460 0.128 0.000 1.143 40 W HN 0.145 nan 8.180 nan 0.000 0.563 41 L N 4.760 126.117 121.223 0.223 0.000 2.322 41 L HA 0.411 4.751 4.340 0.000 0.000 0.281 41 L C -0.465 176.496 176.870 0.151 0.000 1.014 41 L CA -0.682 54.240 54.840 0.137 0.000 0.815 41 L CB 1.066 43.120 42.059 -0.009 0.000 1.247 41 L HN 0.785 nan 8.230 nan 0.000 0.421 42 H N 0.205 119.299 119.070 0.039 0.000 3.037 42 H HA 0.446 5.002 4.556 0.001 0.000 0.336 42 H C -1.325 174.025 175.328 0.037 0.000 1.323 42 H CA -0.877 55.184 56.048 0.022 0.000 1.159 42 H CB 1.197 30.995 29.762 0.060 0.000 1.882 42 H HN 0.391 nan 8.280 nan 0.000 0.535 43 D N -0.386 120.077 120.400 0.106 0.000 2.451 43 D HA 0.003 4.644 4.640 0.000 0.000 0.259 43 D C 0.406 176.795 176.300 0.148 0.000 1.201 43 D CA -0.002 54.037 54.000 0.064 0.000 1.028 43 D CB 0.931 41.764 40.800 0.056 0.000 1.095 43 D HN 0.861 nan 8.370 nan 0.000 0.539 44 D N -0.733 119.723 120.400 0.092 0.000 2.390 44 D HA -0.088 4.552 4.640 0.000 0.000 0.235 44 D C -0.115 176.249 176.300 0.107 0.000 1.040 44 D CA 0.472 54.535 54.000 0.105 0.000 0.923 44 D CB -0.713 40.120 40.800 0.055 0.000 0.886 44 D HN 0.166 nan 8.370 nan 0.000 0.532 45 N N -1.070 117.695 118.700 0.108 0.000 2.651 45 N HA 0.267 5.007 4.740 0.000 0.000 0.277 45 N C -0.163 175.381 175.510 0.057 0.000 1.787 45 N CA -0.217 52.874 53.050 0.068 0.000 0.818 45 N CB 0.316 38.829 38.487 0.043 0.000 1.316 45 N HN -0.165 nan 8.380 nan 0.000 0.503 46 M N -1.097 118.541 119.600 0.063 0.000 2.863 46 M HA -0.293 4.187 4.480 0.000 0.000 0.167 46 M C -0.002 176.324 176.300 0.043 0.000 0.668 46 M CA 1.572 56.883 55.300 0.019 0.000 0.639 46 M CB -0.864 31.742 32.600 0.009 0.000 2.320 46 M HN 0.423 nan 8.290 nan 0.000 0.268 47 Q N 1.799 121.627 119.800 0.045 0.000 2.286 47 Q HA 0.104 4.444 4.340 0.000 0.000 0.290 47 Q C -0.130 175.897 176.000 0.044 0.000 1.049 47 Q CA 0.431 56.245 55.803 0.018 0.000 0.923 47 Q CB 0.254 28.999 28.738 0.012 0.000 1.183 47 Q HN 0.543 nan 8.270 nan 0.000 0.383 48 N N 0.838 119.515 118.700 -0.038 0.000 2.317 48 N HA 0.030 4.770 4.740 0.000 0.000 0.245 48 N C -0.152 175.331 175.510 -0.045 0.000 1.294 48 N CA -0.494 52.517 53.050 -0.066 0.000 0.924 48 N CB 0.538 38.865 38.487 -0.266 0.000 1.186 48 N HN 0.534 nan 8.380 nan 0.000 0.495 49 c N 0.674 119.235 118.600 -0.065 0.000 3.000 49 c HA 0.326 4.897 4.570 0.000 0.000 0.286 49 c C -0.787 173.214 174.090 -0.147 0.000 1.343 49 c CA -0.238 56.076 56.329 -0.025 0.000 1.742 49 c CB -1.707 40.834 42.510 0.051 0.000 2.200 49 c HN 0.691 nan 8.230 nan 0.000 0.621 50 Y N 0.088 120.100 120.300 -0.480 0.000 2.841 50 Y HA 0.529 5.079 4.550 0.000 0.000 0.373 50 Y C -2.067 173.495 175.900 -0.563 0.000 1.170 50 Y CA -1.081 56.556 58.100 -0.772 0.000 1.196 50 Y CB 0.393 37.842 38.460 -1.684 0.000 1.433 50 Y HN 0.163 nan 8.280 nan 0.000 0.479 51 D N 1.168 120.776 120.400 -1.320 0.000 2.783 51 D HA 0.476 5.116 4.640 0.000 0.000 0.253 51 D C 0.521 176.327 176.300 -0.823 0.000 1.206 51 D CA 0.642 54.050 54.000 -0.987 0.000 0.740 51 D CB 1.267 41.739 40.800 -0.547 0.000 1.313 51 D HN 1.412 nan 8.370 nan 0.000 0.427 52 G N 2.398 110.857 108.800 -0.570 0.000 3.434 52 G HA2 -0.368 3.592 3.960 0.000 0.000 0.343 52 G HA3 -0.368 3.592 3.960 0.000 0.000 0.343 52 G C 0.597 175.307 174.900 -0.317 0.000 1.240 52 G CA 1.386 46.291 45.100 -0.325 0.000 0.996 52 G HN 1.349 nan 8.290 nan 0.000 0.650 53 N N -0.385 118.207 118.700 -0.180 0.000 2.261 53 N HA 0.169 4.909 4.740 0.000 0.000 0.241 53 N C -0.196 175.587 175.510 0.455 0.000 1.374 53 N CA 0.130 53.288 53.050 0.179 0.000 0.802 53 N CB 0.320 38.979 38.487 0.286 0.000 1.339 53 N HN 0.639 nan 8.380 nan 0.000 0.498 54 Q N 0.630 120.468 119.800 0.063 0.000 2.333 54 Q HA 0.255 4.595 4.340 0.000 0.000 0.265 54 Q C -0.860 175.163 176.000 0.038 0.000 0.989 54 Q CA -0.651 55.246 55.803 0.156 0.000 0.842 54 Q CB 1.501 30.280 28.738 0.068 0.000 1.262 54 Q HN 0.179 nan 8.270 nan 0.000 0.451 55 W N 1.586 122.879 121.300 -0.011 0.000 2.042 55 W HA -0.004 4.656 4.660 0.001 0.000 0.358 55 W C 1.290 177.780 176.519 -0.049 0.000 1.325 55 W CA 0.310 57.630 57.345 -0.042 0.000 1.311 55 W CB 0.344 29.648 29.460 -0.260 0.000 1.210 55 W HN 0.516 nan 8.180 nan 0.000 0.620 56 T N -2.161 112.490 114.554 0.161 0.000 2.844 56 T HA 0.292 4.643 4.350 0.000 0.000 0.274 56 T C 0.453 175.198 174.700 0.076 0.000 0.991 56 T CA -0.643 61.491 62.100 0.056 0.000 0.983 56 T CB 0.911 69.771 68.868 -0.012 0.000 1.310 56 T HN 0.336 nan 8.240 nan 0.000 0.596 57 N N -0.094 118.628 118.700 0.036 0.000 2.376 57 N HA 0.248 4.988 4.740 0.000 0.000 0.177 57 N C 0.669 176.201 175.510 0.035 0.000 1.024 57 N CA 0.459 53.528 53.050 0.032 0.000 0.893 57 N CB -0.041 38.456 38.487 0.016 0.000 0.980 57 N HN 0.808 nan 8.380 nan 0.000 0.439 58 A N 0.299 123.139 122.820 0.033 0.000 2.922 58 A HA 0.540 4.860 4.320 0.000 0.000 0.298 58 A C -0.580 177.049 177.584 0.075 0.000 1.588 58 A CA -0.139 51.923 52.037 0.041 0.000 1.288 58 A CB -0.776 18.240 19.000 0.028 0.000 1.130 58 A HN 0.329 nan 8.150 nan 0.000 0.557 59 c N -0.502 118.148 118.600 0.084 0.000 2.133 59 c HA 0.197 4.767 4.570 0.000 0.000 0.242 59 c C 1.123 175.254 174.090 0.069 0.000 1.102 59 c CA 0.120 56.517 56.329 0.113 0.000 1.076 59 c CB 0.171 42.824 42.510 0.238 0.000 1.214 59 c HN 1.049 nan 8.230 nan 0.000 0.584 60 S N -0.232 115.489 115.700 0.035 0.000 3.624 60 S HA 0.496 4.966 4.470 0.000 0.000 0.244 60 S C 0.473 175.051 174.600 -0.037 0.000 1.115 60 S CA 1.326 59.529 58.200 0.004 0.000 0.820 60 S CB 0.412 63.614 63.200 0.003 0.000 0.964 60 S HN 1.619 nan 8.310 nan 0.000 0.508 61 T N -1.102 113.422 114.554 -0.051 0.000 2.888 61 T HA 0.829 5.179 4.350 0.000 0.000 0.288 61 T C 1.189 175.816 174.700 -0.122 0.000 1.063 61 T CA 0.006 62.052 62.100 -0.090 0.000 1.010 61 T CB 1.096 69.927 68.868 -0.061 0.000 1.214 61 T HN 0.281 nan 8.240 nan 0.000 0.533 62 A N 0.944 123.674 122.820 -0.151 0.000 1.851 62 A HA 0.010 4.330 4.320 0.000 0.000 0.216 62 A C 2.286 179.836 177.584 -0.057 0.000 1.195 62 A CA 2.338 54.284 52.037 -0.152 0.000 0.622 62 A CB -1.877 17.045 19.000 -0.130 0.000 0.831 62 A HN 0.917 nan 8.150 nan 0.000 0.444 63 T N 0.311 114.846 114.554 -0.032 0.000 3.098 63 T HA -0.086 4.264 4.350 0.000 0.000 0.266 63 T C 1.401 176.102 174.700 0.002 0.000 1.145 63 T CA 1.415 63.514 62.100 -0.002 0.000 1.092 63 T CB -0.276 68.592 68.868 0.001 0.000 0.908 63 T HN 0.806 nan 8.240 nan 0.000 0.526 64 D N -0.341 120.056 120.400 -0.004 0.000 2.379 64 D HA 0.003 4.643 4.640 0.000 0.000 0.218 64 D C 2.061 178.380 176.300 0.031 0.000 1.006 64 D CA 0.152 54.157 54.000 0.009 0.000 0.893 64 D CB -0.854 39.947 40.800 0.002 0.000 1.019 64 D HN 0.329 nan 8.370 nan 0.000 0.503 65 c N 1.272 119.899 118.600 0.046 0.000 2.425 65 c HA 0.189 4.759 4.570 0.000 0.000 0.277 65 c C 3.012 177.184 174.090 0.136 0.000 1.280 65 c CA 1.053 57.457 56.329 0.125 0.000 1.744 65 c CB -1.093 41.514 42.510 0.161 0.000 1.989 65 c HN 0.508 nan 8.230 nan 0.000 0.491 66 A N 0.400 123.277 122.820 0.096 0.000 2.076 66 A HA -0.202 4.118 4.320 0.000 0.000 0.220 66 A C 2.011 179.593 177.584 -0.003 0.000 1.160 66 A CA 1.822 53.887 52.037 0.045 0.000 0.653 66 A CB -0.374 18.642 19.000 0.026 0.000 0.801 66 A HN 0.786 nan 8.150 nan 0.000 0.455 67 E N -0.758 119.447 120.200 0.008 0.000 2.290 67 E HA -0.045 4.305 4.350 0.000 0.000 0.199 67 E C 1.760 178.354 176.600 -0.010 0.000 0.912 67 E CA 0.753 57.148 56.400 -0.008 0.000 0.924 67 E CB -0.057 29.642 29.700 -0.002 0.000 0.901 67 E HN 0.842 nan 8.360 nan 0.000 0.487 68 K N 0.216 120.621 120.400 0.009 0.000 2.365 68 K HA 0.137 4.457 4.320 0.000 0.000 0.197 68 K C 0.928 177.524 176.600 -0.008 0.000 1.042 68 K CA 0.344 56.636 56.287 0.008 0.000 0.987 68 K CB 0.183 32.700 32.500 0.028 0.000 0.779 68 K HN -0.046 nan 8.250 nan 0.000 0.484 69 c N 1.128 119.721 118.600 -0.011 0.000 2.803 69 c HA 0.750 5.320 4.570 0.000 0.000 0.389 69 c C -0.318 173.680 174.090 -0.153 0.000 1.433 69 c CA -1.006 55.287 56.329 -0.059 0.000 1.714 69 c CB 1.358 43.907 42.510 0.065 0.000 2.106 69 c HN 0.632 nan 8.230 nan 0.000 0.480 70 M N 0.602 120.046 119.600 -0.259 0.000 2.605 70 M HA 0.620 5.100 4.480 0.000 0.000 0.281 70 M C -1.910 174.250 176.300 -0.233 0.000 1.166 70 M CA -0.450 54.685 55.300 -0.276 0.000 0.875 70 M CB 1.310 33.756 32.600 -0.257 0.000 1.732 70 M HN 0.456 nan 8.290 nan 0.000 0.504 71 I N 0.786 121.259 120.570 -0.161 0.000 2.437 71 I HA 0.578 4.748 4.170 0.000 0.000 0.298 71 I C -0.099 176.103 176.117 0.141 0.000 0.984 71 I CA -0.502 60.796 61.300 -0.004 0.000 1.214 71 I CB 1.341 39.289 38.000 -0.087 0.000 1.365 71 I HN 0.759 nan 8.210 nan 0.000 0.469 72 E N 3.034 123.410 120.200 0.293 0.000 2.405 72 E HA 0.594 4.944 4.350 0.000 0.000 0.249 72 E C -0.083 176.711 176.600 0.323 0.000 1.028 72 E CA -0.645 55.948 56.400 0.323 0.000 0.897 72 E CB 1.919 31.794 29.700 0.293 0.000 1.262 72 E HN 0.800 nan 8.360 nan 0.000 0.442 73 G N -0.930 107.995 108.800 0.209 0.000 2.434 73 G HA2 0.453 4.413 3.960 0.000 0.000 0.330 73 G HA3 0.453 4.413 3.960 0.000 0.000 0.330 73 G C 0.310 175.229 174.900 0.032 0.000 1.155 73 G CA 0.173 45.325 45.100 0.086 0.000 0.917 73 G HN 0.429 nan 8.290 nan 0.000 0.493 74 A N 0.036 122.832 122.820 -0.041 0.000 1.850 74 A HA 0.494 4.814 4.320 0.000 0.000 0.212 74 A C 2.129 179.654 177.584 -0.098 0.000 1.208 74 A CA 1.993 53.981 52.037 -0.082 0.000 0.609 74 A CB -1.055 17.683 19.000 -0.437 0.000 0.860 74 A HN 2.416 nan 8.150 nan 0.000 0.448 75 G N -0.566 108.178 108.800 -0.094 0.000 4.163 75 G HA2 -0.302 3.658 3.960 0.000 0.000 0.300 75 G HA3 -0.302 3.658 3.960 0.000 0.000 0.300 75 G C 0.183 175.096 174.900 0.021 0.000 1.488 75 G CA 0.375 45.472 45.100 -0.004 0.000 1.052 75 G HN 0.500 nan 8.290 nan 0.000 0.687 76 D N 1.534 121.921 120.400 -0.022 0.000 2.542 76 D HA 0.238 4.878 4.640 0.000 0.000 0.242 76 D C 1.103 177.420 176.300 0.027 0.000 1.207 76 D CA 0.092 54.097 54.000 0.008 0.000 1.172 76 D CB -0.442 40.337 40.800 -0.036 0.000 1.126 76 D HN 0.428 nan 8.370 nan 0.000 0.500 77 Y N 0.926 121.316 120.300 0.150 0.000 2.421 77 Y HA -0.126 4.424 4.550 0.000 0.000 0.292 77 Y C 2.121 178.116 175.900 0.159 0.000 1.136 77 Y CA 0.465 58.704 58.100 0.231 0.000 1.255 77 Y CB 0.352 38.966 38.460 0.257 0.000 0.991 77 Y HN 0.378 nan 8.280 nan 0.000 0.552 78 L N -1.194 120.167 121.223 0.230 0.000 1.971 78 L HA -0.108 4.232 4.340 0.000 0.000 0.208 78 L C 2.435 179.351 176.870 0.077 0.000 1.083 78 L CA 1.803 56.726 54.840 0.138 0.000 0.753 78 L CB -1.064 41.052 42.059 0.096 0.000 0.893 78 L HN 0.279 nan 8.230 nan 0.000 0.436 79 G N -2.069 106.751 108.800 0.033 0.000 2.509 79 G HA2 -0.164 3.796 3.960 0.000 0.000 0.218 79 G HA3 -0.164 3.796 3.960 0.000 0.000 0.218 79 G C 1.317 176.169 174.900 -0.081 0.000 1.124 79 G CA 1.200 46.295 45.100 -0.008 0.000 0.776 79 G HN 0.400 nan 8.290 nan 0.000 0.547 80 T N -1.306 113.136 114.554 -0.186 0.000 3.138 80 T HA 0.141 4.491 4.350 0.000 0.000 0.245 80 T C 1.080 175.399 174.700 -0.635 0.000 0.982 80 T CA 0.140 61.905 62.100 -0.559 0.000 1.134 80 T CB 0.154 68.533 68.868 -0.815 0.000 1.032 80 T HN 0.191 nan 8.240 nan 0.000 0.442 81 Y N 1.180 121.475 120.300 -0.009 0.000 2.607 81 Y HA 0.464 5.014 4.550 0.000 0.000 0.266 81 Y C 1.679 177.721 175.900 0.237 0.000 1.178 81 Y CA -0.689 57.483 58.100 0.121 0.000 1.226 81 Y CB -0.100 38.417 38.460 0.094 0.000 1.144 81 Y HN 0.358 nan 8.280 nan 0.000 0.528 82 G N 0.492 109.438 108.800 0.243 0.000 2.200 82 G HA2 -0.297 3.663 3.960 0.000 0.000 0.267 82 G HA3 -0.297 3.663 3.960 0.000 0.000 0.267 82 G C 0.563 175.586 174.900 0.205 0.000 0.993 82 G CA 0.296 45.514 45.100 0.196 0.000 0.701 82 G HN 0.664 nan 8.290 nan 0.000 0.524 83 A N -0.730 122.270 122.820 0.300 0.000 2.332 83 A HA 0.856 5.176 4.320 0.000 0.000 0.258 83 A C 0.614 178.243 177.584 0.076 0.000 1.087 83 A CA 0.882 53.016 52.037 0.161 0.000 0.802 83 A CB 0.840 19.999 19.000 0.265 0.000 1.042 83 A HN 1.566 nan 8.150 nan 0.000 0.489 84 S N -0.816 114.860 115.700 -0.039 0.000 2.567 84 S HA 0.704 5.174 4.470 0.000 0.000 0.270 84 S C -0.796 173.765 174.600 -0.064 0.000 1.152 84 S CA -0.708 57.479 58.200 -0.022 0.000 0.835 84 S CB 1.786 64.986 63.200 -0.001 0.000 1.115 84 S HN 0.820 nan 8.310 nan 0.000 0.459 85 T N 1.439 115.973 114.554 -0.033 0.000 2.912 85 T HA 0.632 4.982 4.350 0.000 0.000 0.299 85 T C 0.041 174.736 174.700 -0.008 0.000 1.052 85 T CA -0.527 61.554 62.100 -0.031 0.000 0.996 85 T CB 1.764 70.613 68.868 -0.031 0.000 1.070 85 T HN 0.735 nan 8.240 nan 0.000 0.465 86 S N 1.180 116.878 115.700 -0.002 0.000 2.843 86 S HA 0.560 5.030 4.470 0.000 0.000 0.249 86 S C 1.173 175.780 174.600 0.012 0.000 1.047 86 S CA 0.756 58.959 58.200 0.005 0.000 1.042 86 S CB -0.401 62.801 63.200 0.004 0.000 0.936 86 S HN 1.375 nan 8.310 nan 0.000 0.531 87 G N 2.925 111.734 108.800 0.015 0.000 4.240 87 G HA2 -0.284 3.676 3.960 0.000 0.000 0.254 87 G HA3 -0.284 3.676 3.960 0.000 0.000 0.254 87 G C 0.586 175.506 174.900 0.035 0.000 1.712 87 G CA 0.587 45.700 45.100 0.021 0.000 1.374 87 G HN 0.652 nan 8.290 nan 0.000 0.631 88 D N 1.894 122.318 120.400 0.040 0.000 2.380 88 D HA 0.534 5.174 4.640 0.000 0.000 0.212 88 D C 1.392 177.728 176.300 0.059 0.000 1.021 88 D CA 1.334 55.372 54.000 0.063 0.000 0.884 88 D CB -0.427 40.413 40.800 0.067 0.000 1.001 88 D HN 1.196 nan 8.370 nan 0.000 0.506 89 A N 0.501 123.344 122.820 0.038 0.000 2.366 89 A HA 0.538 4.859 4.320 0.000 0.000 0.249 89 A C -0.400 177.186 177.584 0.004 0.000 1.084 89 A CA -0.319 51.734 52.037 0.026 0.000 0.794 89 A CB 0.393 19.400 19.000 0.012 0.000 1.034 89 A HN 0.369 nan 8.150 nan 0.000 0.491 90 L N 0.263 121.479 121.223 -0.012 0.000 2.582 90 L HA 0.778 5.118 4.340 0.000 0.000 0.257 90 L C -0.792 176.017 176.870 -0.103 0.000 0.974 90 L CA 0.235 55.037 54.840 -0.064 0.000 0.851 90 L CB 2.347 44.370 42.059 -0.060 0.000 1.424 90 L HN 0.703 nan 8.230 nan 0.000 0.412 91 T N 4.462 118.931 114.554 -0.140 0.000 2.993 91 T HA 0.693 5.043 4.350 0.000 0.000 0.312 91 T C -1.281 173.342 174.700 -0.129 0.000 1.115 91 T CA -0.361 61.652 62.100 -0.144 0.000 1.027 91 T CB 1.414 70.233 68.868 -0.082 0.000 1.116 91 T HN 0.592 nan 8.240 nan 0.000 0.464 92 L N 2.544 123.691 121.223 -0.126 0.000 2.415 92 L HA 0.517 4.857 4.340 0.000 0.000 0.268 92 L C -0.287 176.617 176.870 0.057 0.000 0.984 92 L CA -1.133 53.706 54.840 -0.001 0.000 0.853 92 L CB 1.192 43.268 42.059 0.029 0.000 1.215 92 L HN 0.408 nan 8.230 nan 0.000 0.419 93 K N 1.884 122.351 120.400 0.112 0.000 2.379 93 K HA 0.139 4.460 4.320 0.000 0.000 0.284 93 K C 0.555 177.304 176.600 0.248 0.000 1.044 93 K CA -0.528 55.846 56.287 0.145 0.000 0.974 93 K CB 0.953 33.523 32.500 0.116 0.000 0.962 93 K HN 0.340 nan 8.250 nan 0.000 0.474 94 F N 3.447 123.453 119.950 0.094 0.000 2.000 94 F HA -0.154 4.374 4.527 0.000 0.000 0.296 94 F C 0.468 176.367 175.800 0.165 0.000 1.159 94 F CA 1.129 59.208 58.000 0.131 0.000 1.183 94 F CB 0.032 39.090 39.000 0.097 0.000 0.959 94 F HN 0.187 nan 8.300 nan 0.000 0.490 95 V N 1.046 120.864 119.914 -0.160 0.000 2.427 95 V HA 0.376 4.496 4.120 0.000 0.000 0.286 95 V C -0.227 175.849 176.094 -0.030 0.000 1.034 95 V CA -0.088 62.057 62.300 -0.258 0.000 0.893 95 V CB 0.917 32.495 31.823 -0.407 0.000 0.982 95 V HN 0.452 nan 8.190 nan 0.000 0.452 96 T N 0.689 115.256 114.554 0.021 0.000 3.064 96 T HA 0.437 4.787 4.350 0.000 0.000 0.367 96 T C -0.443 174.322 174.700 0.109 0.000 1.202 96 T CA -1.019 61.122 62.100 0.068 0.000 1.133 96 T CB 0.334 69.256 68.868 0.090 0.000 1.074 96 T HN 0.674 nan 8.240 nan 0.000 0.519 97 K N 3.589 124.037 120.400 0.081 0.000 2.187 97 K HA 0.246 4.566 4.320 0.000 0.000 0.242 97 K C 0.863 177.506 176.600 0.073 0.000 1.179 97 K CA -0.740 55.592 56.287 0.075 0.000 1.097 97 K CB -0.337 32.169 32.500 0.010 0.000 1.634 97 K HN 0.742 nan 8.250 nan 0.000 0.335 98 H N 0.131 119.164 119.070 -0.062 0.000 2.639 98 H HA 0.107 4.663 4.556 0.000 0.000 0.373 98 H C 0.657 175.903 175.328 -0.137 0.000 1.372 98 H CA -0.433 55.555 56.048 -0.100 0.000 1.448 98 H CB 0.640 30.329 29.762 -0.123 0.000 1.544 98 H HN 0.555 nan 8.280 nan 0.000 0.615 99 E N 0.237 120.291 120.200 -0.244 0.000 2.108 99 E HA -0.232 4.118 4.350 0.000 0.000 0.203 99 E C -0.074 176.088 176.600 -0.729 0.000 1.022 99 E CA 1.747 57.828 56.400 -0.531 0.000 0.823 99 E CB -0.074 29.214 29.700 -0.686 0.000 0.744 99 E HN 0.644 nan 8.360 nan 0.000 0.456 100 Y N -0.759 119.308 120.300 -0.389 0.000 2.557 100 Y HA 0.465 5.015 4.550 -0.000 0.000 0.352 100 Y C 0.383 175.965 175.900 -0.529 0.000 0.918 100 Y CA -0.263 57.639 58.100 -0.329 0.000 1.232 100 Y CB 1.393 39.773 38.460 -0.134 0.000 1.235 100 Y HN 0.142 nan 8.280 nan 0.000 0.596 101 G N -0.559 107.900 108.800 -0.569 0.000 2.350 101 G HA2 0.244 4.204 3.960 0.000 0.000 0.282 101 G HA3 0.244 4.204 3.960 0.000 0.000 0.282 101 G C -1.222 173.579 174.900 -0.165 0.000 1.314 101 G CA -0.928 43.983 45.100 -0.314 0.000 0.915 101 G HN -0.095 nan 8.290 nan 0.000 0.499 102 T N 1.145 115.779 114.554 0.133 0.000 3.103 102 T HA 0.418 4.769 4.350 0.000 0.000 0.352 102 T C -0.346 174.478 174.700 0.207 0.000 1.048 102 T CA -0.508 61.700 62.100 0.181 0.000 1.175 102 T CB 0.789 69.698 68.868 0.068 0.000 1.029 102 T HN 0.641 nan 8.240 nan 0.000 0.498 103 N N 2.096 120.939 118.700 0.238 0.000 2.520 103 N HA 0.387 5.128 4.740 0.000 0.000 0.273 103 N C -0.253 175.387 175.510 0.218 0.000 1.155 103 N CA -0.229 52.947 53.050 0.210 0.000 0.967 103 N CB 0.740 39.317 38.487 0.149 0.000 1.092 103 N HN 0.379 nan 8.380 nan 0.000 0.457 104 V N 1.348 121.418 119.914 0.261 0.000 2.334 104 V HA 0.920 5.040 4.120 0.000 0.000 0.281 104 V C 0.945 177.343 176.094 0.508 0.000 1.016 104 V CA -0.269 62.198 62.300 0.278 0.000 0.832 104 V CB 0.135 32.098 31.823 0.234 0.000 0.999 104 V HN 0.900 nan 8.190 nan 0.000 0.439 105 G N 3.540 112.670 108.800 0.550 0.000 2.627 105 G HA2 0.336 4.296 3.960 0.000 0.000 0.214 105 G HA3 0.336 4.296 3.960 0.000 0.000 0.214 105 G C -0.304 174.962 174.900 0.610 0.000 1.331 105 G CA 0.165 45.663 45.100 0.663 0.000 0.891 105 G HN 2.441 nan 8.290 nan 0.000 0.539 106 S N -1.240 114.695 115.700 0.391 0.000 2.595 106 S HA 0.804 5.274 4.470 0.000 0.000 0.270 106 S C -1.012 173.416 174.600 -0.286 0.000 1.145 106 S CA 0.093 58.227 58.200 -0.111 0.000 0.825 106 S CB 2.202 65.593 63.200 0.319 0.000 1.107 106 S HN 1.510 nan 8.310 nan 0.000 0.461 107 R N 0.917 120.947 120.500 -0.784 0.000 2.523 107 R HA 0.630 4.970 4.340 0.000 0.000 0.278 107 R C -2.155 173.597 176.300 -0.913 0.000 1.150 107 R CA -0.394 55.317 56.100 -0.648 0.000 0.987 107 R CB 0.978 30.834 30.300 -0.740 0.000 1.232 107 R HN 0.604 nan 8.270 nan 0.000 0.424 108 F N 2.576 122.044 119.950 -0.804 0.000 2.593 108 F HA 0.565 5.093 4.527 0.000 0.000 0.320 108 F C -0.709 174.419 175.800 -1.120 0.000 1.060 108 F CA -0.854 56.662 58.000 -0.807 0.000 0.940 108 F CB 1.362 40.096 39.000 -0.443 0.000 1.268 108 F HN 0.276 nan 8.300 nan 0.000 0.475 109 Y N 1.191 121.437 120.300 -0.089 0.000 2.499 109 Y HA 0.578 5.129 4.550 0.000 0.000 0.347 109 Y C -0.563 175.247 175.900 -0.151 0.000 0.987 109 Y CA -1.349 56.627 58.100 -0.207 0.000 1.044 109 Y CB 1.104 39.376 38.460 -0.312 0.000 1.245 109 Y HN 0.306 nan 8.280 nan 0.000 0.461 110 L N 3.213 124.400 121.223 -0.060 0.000 2.436 110 L HA 0.411 4.752 4.340 0.000 0.000 0.265 110 L C -0.586 176.272 176.870 -0.020 0.000 1.168 110 L CA -0.076 54.700 54.840 -0.107 0.000 0.815 110 L CB 0.289 42.186 42.059 -0.270 0.000 1.109 110 L HN 0.677 nan 8.230 nan 0.000 0.462 111 M N 3.879 123.485 119.600 0.010 0.000 2.183 111 M HA 0.203 4.683 4.480 0.000 0.000 0.277 111 M C -0.210 176.133 176.300 0.072 0.000 0.995 111 M CA -0.474 54.860 55.300 0.057 0.000 0.969 111 M CB 1.450 34.051 32.600 0.002 0.000 1.659 111 M HN 0.412 nan 8.290 nan 0.000 0.462 112 N N 2.631 121.367 118.700 0.060 0.000 2.878 112 N HA 0.348 5.088 4.740 0.000 0.000 0.282 112 N C -0.149 175.392 175.510 0.051 0.000 1.284 112 N CA 0.636 53.730 53.050 0.072 0.000 1.053 112 N CB 0.122 38.635 38.487 0.043 0.000 1.382 112 N HN 0.958 nan 8.380 nan 0.000 0.529 113 G N 0.440 109.275 108.800 0.059 0.000 2.484 113 G HA2 -0.128 3.832 3.960 0.000 0.000 0.685 113 G HA3 -0.128 3.832 3.960 0.000 0.000 0.685 113 G C -2.302 172.637 174.900 0.065 0.000 1.294 113 G CA -0.736 44.395 45.100 0.053 0.000 0.879 113 G HN 0.022 nan 8.290 nan 0.000 0.646 114 P HA 0.055 nan 4.420 nan 0.000 0.223 114 P C 0.653 178.015 177.300 0.103 0.000 1.151 114 P CA 1.482 64.691 63.100 0.182 0.000 0.787 114 P CB 0.226 31.974 31.700 0.079 0.000 0.788 115 D N -0.025 120.386 120.400 0.018 0.000 2.277 115 D HA 0.014 4.655 4.640 0.000 0.000 0.209 115 D C 0.834 177.060 176.300 -0.122 0.000 0.970 115 D CA 0.824 54.803 54.000 -0.033 0.000 0.874 115 D CB 0.058 40.842 40.800 -0.025 0.000 0.982 115 D HN 0.376 nan 8.370 nan 0.000 0.504 116 K N -0.126 120.213 120.400 -0.101 0.000 2.166 116 K HA 0.423 4.744 4.320 0.000 0.000 0.245 116 K C -0.729 175.806 176.600 -0.109 0.000 0.967 116 K CA -0.806 55.408 56.287 -0.120 0.000 0.863 116 K CB 1.404 33.879 32.500 -0.042 0.000 1.107 116 K HN -0.226 nan 8.250 nan 0.000 0.436 117 Y N 0.488 120.745 120.300 -0.072 0.000 2.545 117 Y HA 0.197 4.747 4.550 0.000 0.000 0.324 117 Y C -0.018 175.779 175.900 -0.173 0.000 1.220 117 Y CA -1.061 56.968 58.100 -0.118 0.000 1.290 117 Y CB 1.397 39.775 38.460 -0.137 0.000 1.355 117 Y HN 0.524 nan 8.280 nan 0.000 0.516 118 Q N 1.941 121.692 119.800 -0.082 0.000 2.465 118 Q HA 0.359 4.699 4.340 0.000 0.000 0.237 118 Q C -1.248 174.352 176.000 -0.668 0.000 1.051 118 Q CA -0.414 55.142 55.803 -0.412 0.000 0.874 118 Q CB 0.120 28.486 28.738 -0.621 0.000 1.207 118 Q HN 0.374 nan 8.270 nan 0.000 0.508 119 M N 2.647 121.962 119.600 -0.476 0.000 2.227 119 M HA 0.422 4.902 4.480 0.000 0.000 0.316 119 M C -0.472 175.468 176.300 -0.599 0.000 1.144 119 M CA 0.072 55.130 55.300 -0.403 0.000 1.121 119 M CB 0.153 32.655 32.600 -0.162 0.000 1.440 119 M HN 0.505 nan 8.290 nan 0.000 0.473 120 F N 0.797 120.649 119.950 -0.165 0.000 2.578 120 F HA 0.296 4.823 4.527 0.000 0.000 0.311 120 F C 0.274 175.965 175.800 -0.182 0.000 1.094 120 F CA -1.272 56.532 58.000 -0.327 0.000 0.923 120 F CB 1.657 40.356 39.000 -0.501 0.000 1.230 120 F HN 0.567 nan 8.300 nan 0.000 0.450 121 N N 5.351 124.127 118.700 0.126 0.000 2.498 121 N HA 0.041 4.781 4.740 0.000 0.000 0.277 121 N C 0.448 176.167 175.510 0.348 0.000 1.208 121 N CA 0.086 53.262 53.050 0.210 0.000 1.029 121 N CB 0.868 39.501 38.487 0.244 0.000 1.403 121 N HN 0.626 nan 8.380 nan 0.000 0.500 122 L N 1.227 122.554 121.223 0.172 0.000 1.890 122 L HA -0.011 4.329 4.340 0.000 0.000 0.219 122 L C 1.325 178.306 176.870 0.186 0.000 1.104 122 L CA 0.604 55.498 54.840 0.090 0.000 0.792 122 L CB -0.263 41.710 42.059 -0.143 0.000 0.887 122 L HN 0.522 nan 8.230 nan 0.000 0.432 123 M N 0.692 120.372 119.600 0.134 0.000 2.274 123 M HA 0.074 4.555 4.480 0.000 0.000 0.377 123 M C 0.623 177.018 176.300 0.158 0.000 1.428 123 M CA 1.354 56.756 55.300 0.170 0.000 0.907 123 M CB 0.058 32.736 32.600 0.129 0.000 1.974 123 M HN 0.514 nan 8.290 nan 0.000 0.479 124 G N 3.099 111.991 108.800 0.154 0.000 2.141 124 G HA2 -0.279 3.681 3.960 0.000 0.000 0.242 124 G HA3 -0.279 3.681 3.960 0.000 0.000 0.242 124 G C -0.405 174.540 174.900 0.075 0.000 0.982 124 G CA 0.290 45.451 45.100 0.101 0.000 0.662 124 G HN 0.896 nan 8.290 nan 0.000 0.527 125 N N -0.255 118.488 118.700 0.071 0.000 2.357 125 N HA 0.578 5.318 4.740 0.000 0.000 0.284 125 N C -0.851 174.486 175.510 -0.289 0.000 1.236 125 N CA -0.843 52.167 53.050 -0.066 0.000 0.774 125 N CB 1.419 39.945 38.487 0.065 0.000 1.534 125 N HN 0.477 nan 8.380 nan 0.000 0.478 126 E N 0.504 120.376 120.200 -0.547 0.000 2.256 126 E HA 0.547 4.897 4.350 0.000 0.000 0.267 126 E C -1.462 174.618 176.600 -0.867 0.000 0.892 126 E CA -0.962 55.037 56.400 -0.667 0.000 0.775 126 E CB 2.236 31.686 29.700 -0.416 0.000 1.207 126 E HN 0.276 nan 8.360 nan 0.000 0.420 127 L N 1.754 122.629 121.223 -0.581 0.000 2.295 127 L HA 0.771 5.111 4.340 0.000 0.000 0.285 127 L C -1.003 175.793 176.870 -0.124 0.000 1.035 127 L CA -0.227 54.522 54.840 -0.153 0.000 0.806 127 L CB 1.234 43.565 42.059 0.452 0.000 1.214 127 L HN 0.831 nan 8.230 nan 0.000 0.426 128 A N 4.041 126.857 122.820 -0.007 0.000 2.389 128 A HA 1.008 5.328 4.320 0.000 0.000 0.293 128 A C -0.959 176.722 177.584 0.162 0.000 1.186 128 A CA 0.010 52.021 52.037 -0.043 0.000 0.828 128 A CB 1.016 20.062 19.000 0.077 0.000 1.369 128 A HN 1.249 nan 8.150 nan 0.000 0.446 129 F N -2.420 117.507 119.950 -0.039 0.000 3.744 129 F HA 0.540 5.067 4.527 0.000 0.000 0.313 129 F C -2.349 173.418 175.800 -0.054 0.000 0.942 129 F CA -1.099 56.874 58.000 -0.044 0.000 0.795 129 F CB 0.348 39.268 39.000 -0.132 0.000 1.861 129 F HN 0.479 nan 8.300 nan 0.000 0.428 130 D N 0.842 121.397 120.400 0.258 0.000 2.736 130 D HA 0.585 5.226 4.640 0.000 0.000 0.223 130 D C -1.691 174.733 176.300 0.207 0.000 1.231 130 D CA -0.445 53.584 54.000 0.049 0.000 0.818 130 D CB 2.668 43.466 40.800 -0.003 0.000 1.587 130 D HN 0.720 nan 8.370 nan 0.000 0.463 131 V N 0.418 120.294 119.914 -0.064 0.000 2.841 131 V HA 0.475 4.595 4.120 0.000 0.000 0.310 131 V C -1.644 174.228 176.094 -0.370 0.000 1.090 131 V CA -0.634 61.647 62.300 -0.032 0.000 0.930 131 V CB 2.382 34.372 31.823 0.278 0.000 1.014 131 V HN 0.575 nan 8.190 nan 0.000 0.425 132 D N 4.952 125.214 120.400 -0.228 0.000 2.483 132 D HA 0.306 4.946 4.640 0.000 0.000 0.281 132 D C 0.295 176.504 176.300 -0.150 0.000 1.174 132 D CA -0.433 53.445 54.000 -0.202 0.000 0.938 132 D CB 0.629 41.348 40.800 -0.136 0.000 1.002 132 D HN 0.388 nan 8.370 nan 0.000 0.501 133 L N 1.017 122.191 121.223 -0.082 0.000 2.653 133 L HA 0.261 4.601 4.340 0.000 0.000 0.232 133 L C 1.874 178.738 176.870 -0.010 0.000 1.169 133 L CA -0.069 54.752 54.840 -0.031 0.000 0.951 133 L CB -1.351 40.772 42.059 0.106 0.000 1.181 133 L HN 0.208 nan 8.230 nan 0.000 0.460 134 S N -0.667 115.022 115.700 -0.019 0.000 2.423 134 S HA -0.242 4.229 4.470 0.000 0.000 0.238 134 S C 1.631 176.206 174.600 -0.042 0.000 1.028 134 S CA 1.712 59.902 58.200 -0.016 0.000 1.000 134 S CB -0.931 62.259 63.200 -0.018 0.000 0.797 134 S HN 0.691 nan 8.310 nan 0.000 0.487 135 T N -0.686 113.842 114.554 -0.044 0.000 3.252 135 T HA 0.430 4.780 4.350 0.000 0.000 0.286 135 T C -0.129 174.511 174.700 -0.101 0.000 1.013 135 T CA -0.486 61.586 62.100 -0.045 0.000 0.914 135 T CB -0.010 68.858 68.868 -0.000 0.000 1.131 135 T HN 0.112 nan 8.240 nan 0.000 0.529 136 V N 2.702 122.553 119.914 -0.105 0.000 2.372 136 V HA 0.382 4.502 4.120 0.000 0.000 0.261 136 V C 0.460 176.461 176.094 -0.156 0.000 1.055 136 V CA -0.595 61.608 62.300 -0.162 0.000 0.930 136 V CB 0.487 32.239 31.823 -0.119 0.000 1.031 136 V HN 0.485 nan 8.190 nan 0.000 0.479 137 E N 1.844 121.843 120.200 -0.334 0.000 2.280 137 E HA 0.313 4.663 4.350 0.000 0.000 0.261 137 E C -0.277 176.104 176.600 -0.365 0.000 1.088 137 E CA -0.562 55.647 56.400 -0.319 0.000 0.915 137 E CB 1.711 30.833 29.700 -0.963 0.000 1.141 137 E HN 0.689 nan 8.360 nan 0.000 0.433 138 c N 0.473 118.807 118.600 -0.444 0.000 2.538 138 c HA 0.301 4.871 4.570 0.000 0.000 0.408 138 c C 1.552 175.405 174.090 -0.395 0.000 1.421 138 c CA 0.833 56.861 56.329 -0.501 0.000 1.642 138 c CB -1.099 41.017 42.510 -0.656 0.000 2.553 138 c HN 1.000 nan 8.230 nan 0.000 0.604 139 G N 2.340 110.900 108.800 -0.400 0.000 2.278 139 G HA2 -0.165 3.795 3.960 0.000 0.000 0.210 139 G HA3 -0.165 3.795 3.960 0.000 0.000 0.210 139 G C -0.035 174.600 174.900 -0.441 0.000 1.000 139 G CA 0.047 44.931 45.100 -0.360 0.000 0.635 139 G HN 0.715 nan 8.290 nan 0.000 0.495 140 I N 0.586 120.854 120.570 -0.504 0.000 2.676 140 I HA 0.550 4.720 4.170 0.000 0.000 0.309 140 I C -0.315 175.488 176.117 -0.523 0.000 0.990 140 I CA -1.096 59.855 61.300 -0.581 0.000 1.168 140 I CB 1.829 39.422 38.000 -0.678 0.000 1.343 140 I HN 0.110 nan 8.210 nan 0.000 0.482 141 N N 2.494 120.879 118.700 -0.525 0.000 2.454 141 N HA 0.198 4.938 4.740 0.000 0.000 0.291 141 N C -1.378 174.226 175.510 0.157 0.000 1.079 141 N CA -0.345 52.526 53.050 -0.299 0.000 0.893 141 N CB 2.084 40.249 38.487 -0.537 0.000 1.512 141 N HN 0.674 nan 8.380 nan 0.000 0.497 142 S N 1.841 117.672 115.700 0.218 0.000 2.399 142 S HA 0.710 5.180 4.470 0.000 0.000 0.301 142 S C 0.006 175.101 174.600 0.824 0.000 1.093 142 S CA -0.831 57.637 58.200 0.446 0.000 1.077 142 S CB 1.005 64.251 63.200 0.076 0.000 0.980 142 S HN 0.638 nan 8.310 nan 0.000 0.494 143 A N 3.737 127.094 122.820 0.893 0.000 2.355 143 A HA 0.791 5.111 4.320 0.000 0.000 0.317 143 A C -0.797 177.010 177.584 0.371 0.000 1.094 143 A CA -0.795 51.647 52.037 0.675 0.000 0.764 143 A CB 1.061 20.391 19.000 0.549 0.000 1.230 143 A HN 0.859 nan 8.150 nan 0.000 0.448 144 L N 3.094 124.387 121.223 0.116 0.000 2.341 144 L HA 0.861 5.201 4.340 0.000 0.000 0.278 144 L C -1.205 175.732 176.870 0.112 0.000 1.005 144 L CA -0.459 54.152 54.840 -0.380 0.000 0.818 144 L CB 1.516 42.879 42.059 -1.160 0.000 1.259 144 L HN 0.890 nan 8.230 nan 0.000 0.418 145 Y N 1.632 121.713 120.300 -0.365 0.000 2.765 145 Y HA 0.513 5.064 4.550 0.000 0.000 0.350 145 Y C -1.967 173.708 175.900 -0.376 0.000 1.196 145 Y CA -2.004 55.960 58.100 -0.226 0.000 1.119 145 Y CB 0.162 38.667 38.460 0.076 0.000 1.368 145 Y HN 0.286 nan 8.280 nan 0.000 0.463 146 F N 1.645 121.666 119.950 0.118 0.000 2.440 146 F HA 0.847 5.374 4.527 0.000 0.000 0.328 146 F C 0.166 176.023 175.800 0.095 0.000 1.070 146 F CA -0.914 57.103 58.000 0.029 0.000 1.011 146 F CB 2.052 41.072 39.000 0.034 0.000 1.226 146 F HN 0.559 nan 8.300 nan 0.000 0.491 147 V N -1.333 118.710 119.914 0.215 0.000 3.098 147 V HA 0.681 4.802 4.120 0.000 0.000 0.294 147 V C -0.586 175.556 176.094 0.079 0.000 1.351 147 V CA -1.582 60.810 62.300 0.152 0.000 0.999 147 V CB 1.038 32.954 31.823 0.155 0.000 1.104 147 V HN 1.000 nan 8.190 nan 0.000 0.438 148 A N 4.455 127.315 122.820 0.068 0.000 3.029 148 A HA 0.572 4.892 4.320 0.000 0.000 0.251 148 A C 0.479 178.113 177.584 0.083 0.000 1.749 148 A CA -0.200 51.872 52.037 0.058 0.000 1.386 148 A CB -1.064 17.972 19.000 0.061 0.000 1.043 148 A HN 0.949 nan 8.150 nan 0.000 0.638 149 M N 1.007 120.635 119.600 0.047 0.000 2.185 149 M HA 0.283 4.763 4.480 0.000 0.000 0.357 149 M C -0.046 176.301 176.300 0.079 0.000 1.260 149 M CA -0.125 55.245 55.300 0.117 0.000 1.124 149 M CB 0.069 32.672 32.600 0.004 0.000 1.600 149 M HN 0.473 nan 8.290 nan 0.000 0.467 150 E N 1.238 121.500 120.200 0.105 0.000 2.481 150 E HA -0.103 4.248 4.350 0.000 0.000 0.263 150 E C 0.503 177.177 176.600 0.123 0.000 0.992 150 E CA -0.064 56.368 56.400 0.054 0.000 0.938 150 E CB 0.525 30.205 29.700 -0.032 0.000 0.933 150 E HN 0.745 nan 8.360 nan 0.000 0.453 151 E N 1.654 121.908 120.200 0.090 0.000 2.108 151 E HA -0.282 4.069 4.350 0.000 0.000 0.203 151 E C 0.586 177.223 176.600 0.062 0.000 1.022 151 E CA 1.767 58.240 56.400 0.121 0.000 0.823 151 E CB 0.053 29.767 29.700 0.024 0.000 0.744 151 E HN 0.662 nan 8.360 nan 0.000 0.456 152 D N -1.338 119.040 120.400 -0.037 0.000 3.071 152 D HA 0.127 4.767 4.640 0.000 0.000 0.259 152 D C 0.676 176.891 176.300 -0.143 0.000 1.331 152 D CA 0.302 54.208 54.000 -0.156 0.000 0.861 152 D CB -0.070 40.663 40.800 -0.111 0.000 1.059 152 D HN 0.278 nan 8.370 nan 0.000 0.486 153 G N 0.101 108.871 108.800 -0.050 0.000 2.309 153 G HA2 -0.160 3.801 3.960 0.000 0.000 0.286 153 G HA3 -0.160 3.801 3.960 0.000 0.000 0.286 153 G C 1.120 176.029 174.900 0.015 0.000 1.002 153 G CA 0.470 45.632 45.100 0.102 0.000 0.786 153 G HN 1.533 nan 8.290 nan 0.000 0.511 154 G N -1.688 107.079 108.800 -0.055 0.000 2.171 154 G HA2 -0.206 3.754 3.960 0.000 0.000 0.238 154 G HA3 -0.206 3.754 3.960 0.000 0.000 0.238 154 G C 0.751 175.650 174.900 -0.002 0.000 1.039 154 G CA 1.144 46.188 45.100 -0.093 0.000 0.759 154 G HN 1.202 nan 8.290 nan 0.000 0.501 155 M N -0.462 119.112 119.600 -0.044 0.000 2.429 155 M HA 0.435 4.915 4.480 0.000 0.000 0.265 155 M C 2.703 178.972 176.300 -0.050 0.000 1.120 155 M CA 1.813 57.092 55.300 -0.035 0.000 1.173 155 M CB -0.134 32.432 32.600 -0.057 0.000 1.343 155 M HN 0.579 nan 8.290 nan 0.000 0.464 156 A N 0.811 123.584 122.820 -0.079 0.000 1.848 156 A HA -0.221 4.099 4.320 0.000 0.000 0.217 156 A C 2.071 179.568 177.584 -0.145 0.000 1.220 156 A CA 2.805 54.784 52.037 -0.096 0.000 0.645 156 A CB -1.429 17.513 19.000 -0.096 0.000 0.842 156 A HN 0.634 nan 8.150 nan 0.000 0.451 157 S N -1.624 113.938 115.700 -0.231 0.000 2.402 157 S HA -0.132 4.338 4.470 0.000 0.000 0.233 157 S C -0.005 174.217 174.600 -0.630 0.000 1.030 157 S CA 1.265 59.193 58.200 -0.453 0.000 1.003 157 S CB -0.459 62.387 63.200 -0.591 0.000 0.813 157 S HN 0.511 nan 8.310 nan 0.000 0.477 158 Y N 0.671 120.911 120.300 -0.101 0.000 2.326 158 Y HA 0.406 4.956 4.550 0.000 0.000 0.331 158 Y C -2.268 173.588 175.900 -0.073 0.000 0.962 158 Y CA -2.682 55.368 58.100 -0.082 0.000 1.167 158 Y CB 1.481 39.885 38.460 -0.094 0.000 1.148 158 Y HN -0.049 nan 8.280 nan 0.000 0.463 159 P HA -0.092 nan 4.420 nan 0.000 0.224 159 P C 1.280 178.589 177.300 0.015 0.000 1.157 159 P CA 1.349 64.462 63.100 0.021 0.000 0.799 159 P CB 0.376 32.083 31.700 0.012 0.000 0.809 160 S N -1.967 113.754 115.700 0.034 0.000 2.489 160 S HA -0.034 4.436 4.470 0.000 0.000 0.228 160 S C 1.123 175.697 174.600 -0.044 0.000 0.995 160 S CA 0.199 58.398 58.200 -0.001 0.000 0.934 160 S CB -0.947 62.261 63.200 0.014 0.000 0.771 160 S HN 0.043 nan 8.310 nan 0.000 0.522 161 N N 1.772 120.448 118.700 -0.041 0.000 2.589 161 N HA 0.190 4.930 4.740 0.000 0.000 0.232 161 N C -0.682 174.773 175.510 -0.093 0.000 1.015 161 N CA -0.146 52.844 53.050 -0.100 0.000 0.931 161 N CB 1.050 39.478 38.487 -0.098 0.000 1.150 161 N HN 0.255 nan 8.380 nan 0.000 0.512 162 Q N 1.744 121.473 119.800 -0.119 0.000 2.222 162 Q HA 0.328 4.668 4.340 0.000 0.000 0.206 162 Q C 1.024 176.933 176.000 -0.153 0.000 0.877 162 Q CA -0.242 55.497 55.803 -0.107 0.000 0.958 162 Q CB 0.876 29.562 28.738 -0.088 0.000 1.075 162 Q HN 0.583 nan 8.270 nan 0.000 0.483 163 A N 0.262 122.952 122.820 -0.217 0.000 1.941 163 A HA 0.646 4.966 4.320 0.000 0.000 0.214 163 A C 1.336 178.860 177.584 -0.099 0.000 1.368 163 A CA 0.872 52.705 52.037 -0.341 0.000 0.651 163 A CB -0.719 17.940 19.000 -0.569 0.000 1.064 163 A HN 0.441 nan 8.150 nan 0.000 0.492 164 G N -1.486 107.270 108.800 -0.072 0.000 2.512 164 G HA2 0.081 4.042 3.960 0.000 0.000 0.254 164 G HA3 0.081 4.042 3.960 0.000 0.000 0.254 164 G C 1.266 176.170 174.900 0.006 0.000 1.199 164 G CA 1.283 46.363 45.100 -0.033 0.000 0.941 164 G HN 1.574 nan 8.290 nan 0.000 0.569 165 A N -0.248 122.473 122.820 -0.165 0.000 1.933 165 A HA -0.002 4.318 4.320 0.000 0.000 0.218 165 A C 2.323 179.834 177.584 -0.122 0.000 1.175 165 A CA 2.644 54.402 52.037 -0.465 0.000 0.628 165 A CB -0.441 17.903 19.000 -1.093 0.000 0.814 165 A HN 1.042 nan 8.150 nan 0.000 0.444 166 R N -1.896 118.651 120.500 0.078 0.000 2.285 166 R HA -0.085 4.255 4.340 0.000 0.000 0.213 166 R C 0.339 176.776 176.300 0.228 0.000 1.068 166 R CA 1.261 57.510 56.100 0.249 0.000 1.004 166 R CB -0.166 30.230 30.300 0.159 0.000 0.873 166 R HN 0.699 nan 8.270 nan 0.000 0.467 167 Y N -1.661 118.722 120.300 0.138 0.000 2.563 167 Y HA 0.296 4.846 4.550 0.000 0.000 0.250 167 Y C 0.765 176.744 175.900 0.132 0.000 1.126 167 Y CA -0.076 58.108 58.100 0.140 0.000 1.231 167 Y CB 1.648 40.151 38.460 0.072 0.000 1.288 167 Y HN 0.184 nan 8.280 nan 0.000 0.537 168 G N 2.483 111.451 108.800 0.281 0.000 2.452 168 G HA2 -0.225 3.735 3.960 0.000 0.000 0.275 168 G HA3 -0.225 3.735 3.960 0.000 0.000 0.275 168 G C -0.067 174.981 174.900 0.246 0.000 1.131 168 G CA 0.237 45.507 45.100 0.283 0.000 1.031 168 G HN 0.370 nan 8.290 nan 0.000 0.511 169 T N -2.265 112.410 114.554 0.203 0.000 2.944 169 T HA 0.812 5.163 4.350 0.000 0.000 0.284 169 T C 1.265 176.077 174.700 0.187 0.000 1.010 169 T CA 0.314 62.513 62.100 0.166 0.000 1.025 169 T CB 2.110 71.017 68.868 0.066 0.000 1.079 169 T HN 2.198 nan 8.240 nan 0.000 0.516 170 G N 0.571 109.499 108.800 0.214 0.000 2.248 170 G HA2 -0.200 3.760 3.960 0.000 0.000 0.252 170 G HA3 -0.200 3.760 3.960 0.000 0.000 0.252 170 G C -0.433 174.744 174.900 0.461 0.000 1.085 170 G CA 0.124 45.390 45.100 0.278 0.000 0.845 170 G HN 1.269 nan 8.290 nan 0.000 0.494 171 Y N 0.558 120.988 120.300 0.217 0.000 2.320 171 Y HA 0.631 5.181 4.550 0.000 0.000 0.324 171 Y C 0.757 176.670 175.900 0.022 0.000 1.190 171 Y CA -0.680 57.483 58.100 0.106 0.000 1.215 171 Y CB 1.158 39.686 38.460 0.113 0.000 1.221 171 Y HN 0.939 nan 8.280 nan 0.000 0.486 172 c N 3.637 121.813 118.600 -0.706 0.000 3.241 172 c HA 0.923 5.493 4.570 0.000 0.000 0.312 172 c C -1.385 172.280 174.090 -0.708 0.000 1.350 172 c CA -0.403 55.435 56.329 -0.818 0.000 1.415 172 c CB 1.324 43.330 42.510 -0.840 0.000 1.770 172 c HN 1.041 nan 8.230 nan 0.000 0.466 173 D N -0.369 119.740 120.400 -0.484 0.000 2.970 173 D HA 0.526 5.166 4.640 0.000 0.000 0.344 173 D C 0.349 176.549 176.300 -0.167 0.000 1.365 173 D CA 0.030 53.890 54.000 -0.234 0.000 0.910 173 D CB 0.757 41.469 40.800 -0.145 0.000 1.445 173 D HN 0.984 nan 8.370 nan 0.000 0.532 174 A N -1.108 121.635 122.820 -0.128 0.000 2.208 174 A HA 0.009 4.329 4.320 0.000 0.000 0.209 174 A C 1.574 179.111 177.584 -0.079 0.000 1.161 174 A CA 0.988 52.988 52.037 -0.061 0.000 0.782 174 A CB -0.511 18.507 19.000 0.030 0.000 0.816 174 A HN 0.285 nan 8.150 nan 0.000 0.477 175 Q N -1.495 118.227 119.800 -0.129 0.000 2.389 175 Q HA 0.125 4.465 4.340 0.000 0.000 0.204 175 Q C 0.202 176.148 176.000 -0.090 0.000 0.944 175 Q CA 0.224 55.950 55.803 -0.129 0.000 0.908 175 Q CB -0.777 27.884 28.738 -0.128 0.000 1.002 175 Q HN 0.635 nan 8.270 nan 0.000 0.493 176 c N 0.386 118.914 118.600 -0.119 0.000 1.269 176 c HA -0.083 4.488 4.570 0.000 0.000 0.191 176 c C 0.584 174.646 174.090 -0.047 0.000 0.636 176 c CA -0.621 55.624 56.329 -0.139 0.000 3.232 176 c CB -1.690 40.748 42.510 -0.121 0.000 2.126 176 c HN 0.490 nan 8.230 nan 0.000 0.434 177 A N 4.753 127.506 122.820 -0.112 0.000 2.666 177 A HA 0.399 4.719 4.320 0.000 0.000 0.312 177 A C 1.224 178.784 177.584 -0.040 0.000 1.471 177 A CA -0.104 51.925 52.037 -0.014 0.000 1.134 177 A CB 0.059 19.063 19.000 0.006 0.000 1.129 177 A HN 0.894 nan 8.150 nan 0.000 0.539 178 R N 1.103 121.570 120.500 -0.056 0.000 2.240 178 R HA -0.072 4.268 4.340 0.000 0.000 0.203 178 R C 1.105 177.273 176.300 -0.220 0.000 1.011 178 R CA 1.090 57.132 56.100 -0.096 0.000 1.007 178 R CB 0.193 30.463 30.300 -0.050 0.000 0.911 178 R HN 0.927 nan 8.270 nan 0.000 0.468 179 D N 0.361 120.500 120.400 -0.434 0.000 2.312 179 D HA -0.119 4.521 4.640 0.000 0.000 0.211 179 D C 0.575 176.910 176.300 0.059 0.000 0.964 179 D CA 0.292 54.061 54.000 -0.384 0.000 0.877 179 D CB -0.034 40.346 40.800 -0.699 0.000 0.924 179 D HN 0.133 nan 8.370 nan 0.000 0.515 180 L N 0.961 122.236 121.223 0.086 0.000 2.499 180 L HA 0.002 4.342 4.340 0.000 0.000 0.273 180 L C 1.657 178.627 176.870 0.167 0.000 1.195 180 L CA -0.243 54.701 54.840 0.174 0.000 0.882 180 L CB 0.636 42.807 42.059 0.188 0.000 1.133 180 L HN -0.192 nan 8.230 nan 0.000 0.483 181 K N 2.934 123.349 120.400 0.025 0.000 2.152 181 K HA -0.040 4.280 4.320 0.000 0.000 0.206 181 K C -0.459 175.771 176.600 -0.616 0.000 1.048 181 K CA 1.394 57.459 56.287 -0.371 0.000 0.933 181 K CB 0.027 32.107 32.500 -0.701 0.000 0.721 181 K HN 0.288 nan 8.250 nan 0.000 0.447 182 F N -1.425 118.593 119.950 0.114 0.000 2.576 182 F HA 0.541 5.068 4.527 0.000 0.000 0.313 182 F C -0.665 175.151 175.800 0.028 0.000 1.078 182 F CA -1.343 56.685 58.000 0.046 0.000 0.921 182 F CB 1.867 40.895 39.000 0.046 0.000 1.232 182 F HN -0.494 nan 8.300 nan 0.000 0.459 183 V N 0.668 120.667 119.914 0.141 0.000 2.891 183 V HA 0.597 4.717 4.120 0.000 0.000 0.304 183 V C 0.226 176.198 176.094 -0.202 0.000 1.171 183 V CA -0.584 61.719 62.300 0.005 0.000 0.943 183 V CB 1.654 33.471 31.823 -0.009 0.000 1.037 183 V HN 1.070 nan 8.190 nan 0.000 0.427 184 G N 3.022 111.566 108.800 -0.427 0.000 2.203 184 G HA2 0.059 4.019 3.960 0.000 0.000 0.263 184 G HA3 0.059 4.019 3.960 0.000 0.000 0.263 184 G C 1.172 175.384 174.900 -1.148 0.000 1.012 184 G CA 0.921 45.326 45.100 -1.158 0.000 0.749 184 G HN 2.584 nan 8.290 nan 0.000 0.512 185 G N -1.518 106.963 108.800 -0.533 0.000 2.160 185 G HA2 -0.135 3.825 3.960 0.000 0.000 0.244 185 G HA3 -0.135 3.825 3.960 0.000 0.000 0.244 185 G C 0.280 175.135 174.900 -0.075 0.000 1.022 185 G CA 1.311 46.276 45.100 -0.227 0.000 0.741 185 G HN 1.254 nan 8.290 nan 0.000 0.508 186 K N -0.997 119.398 120.400 -0.008 0.000 2.283 186 K HA 0.876 5.197 4.320 0.000 0.000 0.257 186 K C -0.004 176.690 176.600 0.156 0.000 1.066 186 K CA -0.350 55.980 56.287 0.072 0.000 0.891 186 K CB 1.193 33.719 32.500 0.044 0.000 1.438 186 K HN 0.813 nan 8.250 nan 0.000 0.464 187 A N 0.606 123.435 122.820 0.015 0.000 2.295 187 A HA 0.346 4.667 4.320 0.000 0.000 0.318 187 A C -0.008 177.293 177.584 -0.472 0.000 1.134 187 A CA -0.468 51.387 52.037 -0.302 0.000 0.827 187 A CB 0.160 18.805 19.000 -0.592 0.000 1.136 187 A HN 0.641 nan 8.150 nan 0.000 0.493 188 N N 0.947 119.235 118.700 -0.686 0.000 2.378 188 N HA 0.116 4.856 4.740 0.000 0.000 0.243 188 N C 0.809 175.929 175.510 -0.651 0.000 1.137 188 N CA 0.070 52.880 53.050 -0.400 0.000 0.862 188 N CB -0.124 38.371 38.487 0.015 0.000 1.116 188 N HN 0.700 nan 8.380 nan 0.000 0.499 189 I N -0.072 119.812 120.570 -1.143 0.000 2.333 189 I HA -0.020 4.150 4.170 0.000 0.000 0.246 189 I C 0.076 175.958 176.117 -0.392 0.000 1.106 189 I CA 0.738 61.357 61.300 -1.135 0.000 1.411 189 I CB 0.347 37.713 38.000 -1.057 0.000 1.082 189 I HN 0.039 nan 8.210 nan 0.000 0.420 190 E N 1.307 121.331 120.200 -0.294 0.000 1.944 190 E HA 0.278 4.628 4.350 0.000 0.000 0.272 190 E C 0.595 177.130 176.600 -0.107 0.000 1.195 190 E CA 0.543 56.846 56.400 -0.162 0.000 0.926 190 E CB 0.068 29.669 29.700 -0.165 0.000 1.051 190 E HN 0.594 nan 8.360 nan 0.000 0.404 191 G N 3.424 112.201 108.800 -0.038 0.000 2.184 191 G HA2 -0.228 3.732 3.960 0.000 0.000 0.206 191 G HA3 -0.228 3.732 3.960 0.000 0.000 0.206 191 G C -0.107 174.805 174.900 0.020 0.000 0.995 191 G CA -0.552 44.534 45.100 -0.024 0.000 0.651 191 G HN 0.612 nan 8.290 nan 0.000 0.511 192 W N 2.252 123.469 121.300 -0.138 0.000 2.435 192 W HA 0.450 5.111 4.660 0.001 0.000 0.337 192 W C -0.242 176.273 176.519 -0.007 0.000 1.300 192 W CA 0.745 58.035 57.345 -0.093 0.000 1.298 192 W CB 0.312 29.709 29.460 -0.106 0.000 1.217 192 W HN 0.115 nan 8.180 nan 0.000 0.565 193 K N 4.115 124.228 120.400 -0.477 0.000 2.413 193 K HA 0.228 4.548 4.320 0.000 0.000 0.257 193 K C -0.561 175.785 176.600 -0.424 0.000 0.946 193 K CA -0.405 55.705 56.287 -0.294 0.000 0.823 193 K CB 1.364 33.752 32.500 -0.185 0.000 1.109 193 K HN 0.230 nan 8.250 nan 0.000 0.427 194 S N 1.438 117.065 115.700 -0.122 0.000 2.489 194 S HA 0.182 4.653 4.470 0.000 0.000 0.277 194 S C 0.359 174.955 174.600 -0.007 0.000 1.230 194 S CA -0.915 57.284 58.200 -0.003 0.000 1.053 194 S CB 1.158 64.469 63.200 0.185 0.000 0.955 194 S HN 0.692 nan 8.310 nan 0.000 0.488 195 S N 1.940 117.637 115.700 -0.005 0.000 2.632 195 S HA 0.104 4.574 4.470 0.000 0.000 0.254 195 S C 1.574 176.185 174.600 0.020 0.000 1.291 195 S CA 0.371 58.577 58.200 0.010 0.000 0.974 195 S CB 0.069 63.280 63.200 0.019 0.000 1.016 195 S HN 0.867 nan 8.310 nan 0.000 0.579 196 T N -1.341 113.218 114.554 0.009 0.000 2.866 196 T HA -0.040 4.310 4.350 0.000 0.000 0.250 196 T C 2.104 176.823 174.700 0.031 0.000 1.033 196 T CA 1.375 63.484 62.100 0.015 0.000 1.145 196 T CB -1.211 67.659 68.868 0.003 0.000 0.866 196 T HN 0.834 nan 8.240 nan 0.000 0.434 197 S N 0.692 116.415 115.700 0.038 0.000 2.336 197 S HA 0.031 4.501 4.470 0.000 0.000 0.216 197 S C 0.986 175.669 174.600 0.137 0.000 1.032 197 S CA 0.469 58.728 58.200 0.098 0.000 0.973 197 S CB -0.850 62.442 63.200 0.153 0.000 0.888 197 S HN 0.467 nan 8.310 nan 0.000 0.455 198 D N 3.669 124.129 120.400 0.099 0.000 2.359 198 D HA 0.263 4.903 4.640 0.000 0.000 0.250 198 D C -1.660 174.675 176.300 0.058 0.000 1.264 198 D CA -1.813 52.214 54.000 0.046 0.000 0.911 198 D CB 1.660 42.406 40.800 -0.090 0.000 1.056 198 D HN 0.284 nan 8.370 nan 0.000 0.499 199 P HA -0.001 nan 4.420 nan 0.000 0.236 199 P C 0.735 178.056 177.300 0.035 0.000 1.177 199 P CA 0.304 63.434 63.100 0.049 0.000 0.773 199 P CB 0.840 32.565 31.700 0.042 0.000 0.878 200 N N -0.128 118.596 118.700 0.039 0.000 2.439 200 N HA 0.090 4.830 4.740 0.000 0.000 0.176 200 N C 0.893 176.471 175.510 0.113 0.000 1.029 200 N CA 0.300 53.366 53.050 0.026 0.000 0.886 200 N CB -0.044 38.432 38.487 -0.018 0.000 1.057 200 N HN 0.064 nan 8.380 nan 0.000 0.437 201 A N -0.360 122.517 122.820 0.095 0.000 2.279 201 A HA 0.756 5.077 4.320 0.000 0.000 0.303 201 A C 0.570 178.281 177.584 0.212 0.000 1.108 201 A CA 0.064 52.187 52.037 0.144 0.000 0.830 201 A CB 0.906 19.919 19.000 0.021 0.000 1.106 201 A HN 0.254 nan 8.150 nan 0.000 0.493 202 G N -1.586 107.333 108.800 0.198 0.000 2.846 202 G HA2 0.576 4.536 3.960 0.000 0.000 0.299 202 G HA3 0.576 4.536 3.960 0.000 0.000 0.299 202 G C -1.721 172.665 174.900 -0.857 0.000 1.242 202 G CA -0.257 44.690 45.100 -0.254 0.000 0.800 202 G HN 1.275 nan 8.290 nan 0.000 0.538 203 V N -0.057 118.947 119.914 -1.517 0.000 2.752 203 V HA 0.688 4.808 4.120 0.000 0.000 0.302 203 V C 0.368 175.853 176.094 -1.015 0.000 1.133 203 V CA 0.029 61.697 62.300 -1.054 0.000 0.919 203 V CB 1.691 33.243 31.823 -0.453 0.000 1.026 203 V HN 1.272 nan 8.190 nan 0.000 0.429 204 G N 4.359 112.821 108.800 -0.564 0.000 2.461 204 G HA2 0.634 4.594 3.960 0.000 0.000 0.329 204 G HA3 0.634 4.594 3.960 0.000 0.000 0.329 204 G C -1.758 173.092 174.900 -0.084 0.000 1.170 204 G CA -1.417 43.624 45.100 -0.100 0.000 0.935 204 G HN 0.516 nan 8.290 nan 0.000 0.492 205 P HA -0.037 nan 4.420 nan 0.000 0.242 205 P C -0.510 176.811 177.300 0.035 0.000 1.197 205 P CA 0.835 63.883 63.100 -0.087 0.000 0.765 205 P CB 0.113 31.697 31.700 -0.194 0.000 0.936 206 Y N 0.193 120.453 120.300 -0.066 0.000 2.376 206 Y HA 0.500 5.050 4.550 0.000 0.000 0.326 206 Y C 0.743 176.601 175.900 -0.069 0.000 0.970 206 Y CA -1.126 56.934 58.100 -0.068 0.000 1.248 206 Y CB 1.814 40.233 38.460 -0.069 0.000 1.117 206 Y HN -0.134 nan 8.280 nan 0.000 0.476 207 G N 1.344 110.170 108.800 0.043 0.000 2.417 207 G HA2 0.477 4.437 3.960 0.000 0.000 0.334 207 G HA3 0.477 4.437 3.960 0.000 0.000 0.334 207 G C -1.094 173.664 174.900 -0.236 0.000 1.150 207 G CA -0.767 44.283 45.100 -0.083 0.000 0.923 207 G HN 0.505 nan 8.290 nan 0.000 0.485 208 S N -0.901 114.609 115.700 -0.317 0.000 2.498 208 S HA 0.597 5.067 4.470 0.000 0.000 0.317 208 S C -0.285 173.942 174.600 -0.623 0.000 1.090 208 S CA -0.788 57.090 58.200 -0.537 0.000 1.089 208 S CB 0.760 63.589 63.200 -0.619 0.000 0.997 208 S HN 0.729 nan 8.310 nan 0.000 0.470 209 c N 2.276 120.474 118.600 -0.669 0.000 2.454 209 c HA 0.996 5.567 4.570 0.000 0.000 0.336 209 c C 0.525 174.493 174.090 -0.204 0.000 1.189 209 c CA -0.832 55.259 56.329 -0.398 0.000 1.877 209 c CB -0.163 42.211 42.510 -0.226 0.000 2.348 209 c HN 1.266 nan 8.230 nan 0.000 0.508 210 c N -0.185 118.342 118.600 -0.122 0.000 3.295 210 c HA 0.880 5.450 4.570 0.000 0.000 0.341 210 c C -0.014 174.073 174.090 -0.006 0.000 1.418 210 c CA -0.777 55.532 56.329 -0.034 0.000 1.240 210 c CB 0.551 43.018 42.510 -0.072 0.000 1.562 210 c HN 1.475 nan 8.230 nan 0.000 0.457 211 A N 0.456 123.291 122.820 0.025 0.000 2.498 211 A HA 0.522 4.842 4.320 0.000 0.000 0.239 211 A C 0.075 177.705 177.584 0.076 0.000 1.068 211 A CA 0.481 52.546 52.037 0.046 0.000 0.766 211 A CB 0.072 19.096 19.000 0.040 0.000 1.003 211 A HN 0.886 nan 8.150 nan 0.000 0.497 212 E N 1.724 121.992 120.200 0.114 0.000 2.255 212 E HA 0.398 4.748 4.350 0.000 0.000 0.256 212 E C -1.561 175.179 176.600 0.233 0.000 0.887 212 E CA -0.528 55.961 56.400 0.148 0.000 0.782 212 E CB 0.983 30.690 29.700 0.011 0.000 1.214 212 E HN 0.481 nan 8.360 nan 0.000 0.417 213 I N 4.113 124.872 120.570 0.315 0.000 2.428 213 I HA 0.207 4.377 4.170 0.000 0.000 0.279 213 I C -0.865 175.566 176.117 0.524 0.000 1.040 213 I CA -0.826 60.704 61.300 0.383 0.000 1.171 213 I CB 0.919 39.084 38.000 0.276 0.000 1.312 213 I HN 0.432 nan 8.210 nan 0.000 0.470 214 D N 5.346 126.043 120.400 0.494 0.000 2.638 214 D HA 0.164 4.805 4.640 0.000 0.000 0.245 214 D C 1.727 178.436 176.300 0.682 0.000 1.176 214 D CA -0.232 54.056 54.000 0.481 0.000 0.996 214 D CB 1.017 41.959 40.800 0.236 0.000 1.012 214 D HN 0.325 nan 8.370 nan 0.000 0.515 215 V N -1.649 118.714 119.914 0.748 0.000 2.546 215 V HA -0.140 3.980 4.120 0.000 0.000 0.254 215 V C 0.618 177.152 176.094 0.733 0.000 1.076 215 V CA 0.637 63.325 62.300 0.647 0.000 1.087 215 V CB -0.554 31.506 31.823 0.394 0.000 0.674 215 V HN 0.539 nan 8.190 nan 0.000 0.470 216 W N 0.744 122.267 121.300 0.372 0.000 2.781 216 W HA 0.593 5.254 4.660 0.000 0.000 0.333 216 W C -1.100 175.629 176.519 0.350 0.000 1.047 216 W CA -0.689 56.865 57.345 0.348 0.000 1.236 216 W CB 1.919 31.552 29.460 0.288 0.000 1.394 216 W HN 0.187 nan 8.180 nan 0.000 0.466 217 E N 3.841 124.056 120.200 0.025 0.000 2.448 217 E HA 0.211 4.561 4.350 0.000 0.000 0.288 217 E C -0.709 175.716 176.600 -0.292 0.000 0.936 217 E CA -0.205 56.206 56.400 0.018 0.000 0.809 217 E CB 1.906 31.753 29.700 0.245 0.000 1.408 217 E HN 0.375 nan 8.360 nan 0.000 0.393 218 S N 2.470 117.971 115.700 -0.333 0.000 2.794 218 S HA 0.804 5.274 4.470 0.000 0.000 0.299 218 S C -0.687 173.899 174.600 -0.024 0.000 1.179 218 S CA -0.800 57.218 58.200 -0.303 0.000 0.838 218 S CB 2.480 65.283 63.200 -0.662 0.000 1.206 218 S HN 0.541 nan 8.310 nan 0.000 0.523 219 N N -1.309 117.483 118.700 0.153 0.000 3.465 219 N HA 0.329 5.069 4.740 0.000 0.000 0.244 219 N C 0.101 175.786 175.510 0.292 0.000 1.454 219 N CA -0.189 52.957 53.050 0.160 0.000 0.865 219 N CB 0.598 39.095 38.487 0.018 0.000 1.439 219 N HN 1.061 nan 8.380 nan 0.000 0.480 220 A N -0.773 122.146 122.820 0.166 0.000 2.225 220 A HA 0.070 4.390 4.320 0.000 0.000 0.215 220 A C 0.338 177.781 177.584 -0.234 0.000 1.164 220 A CA 1.236 53.231 52.037 -0.069 0.000 0.710 220 A CB -0.902 17.968 19.000 -0.217 0.000 0.780 220 A HN 0.569 nan 8.150 nan 0.000 0.473 221 Y N -2.273 118.076 120.300 0.082 0.000 2.585 221 Y HA 0.586 5.136 4.550 0.000 0.000 0.272 221 Y C 0.948 177.010 175.900 0.270 0.000 1.119 221 Y CA -0.020 58.138 58.100 0.097 0.000 1.255 221 Y CB 0.291 38.737 38.460 -0.024 0.000 1.284 221 Y HN 0.313 nan 8.280 nan 0.000 0.499 222 A N -0.143 122.943 122.820 0.443 0.000 2.564 222 A HA 0.709 5.029 4.320 0.000 0.000 0.291 222 A C -1.608 176.002 177.584 0.043 0.000 1.102 222 A CA -0.469 51.676 52.037 0.181 0.000 0.660 222 A CB 0.968 19.955 19.000 -0.021 0.000 1.283 222 A HN 0.238 nan 8.150 nan 0.000 0.430 223 F N -2.854 116.927 119.950 -0.282 0.000 3.090 223 F HA 0.951 5.478 4.527 0.000 0.000 0.324 223 F C -0.550 175.177 175.800 -0.122 0.000 1.189 223 F CA -0.722 57.079 58.000 -0.333 0.000 0.907 223 F CB 0.930 39.533 39.000 -0.662 0.000 1.445 223 F HN 1.748 nan 8.300 nan 0.000 0.500 224 A N 0.720 123.713 122.820 0.289 0.000 2.577 224 A HA 0.595 4.915 4.320 0.000 0.000 0.297 224 A C -2.355 175.612 177.584 0.637 0.000 1.060 224 A CA -0.495 51.762 52.037 0.367 0.000 0.697 224 A CB 0.903 20.075 19.000 0.287 0.000 1.281 224 A HN 1.239 nan 8.150 nan 0.000 0.402 225 F N 2.323 122.582 119.950 0.516 0.000 2.404 225 F HA 0.681 5.208 4.527 0.000 0.000 0.354 225 F C -0.520 175.538 175.800 0.430 0.000 1.122 225 F CA -0.105 58.203 58.000 0.513 0.000 1.080 225 F CB 1.306 40.624 39.000 0.529 0.000 1.131 225 F HN 0.505 nan 8.300 nan 0.000 0.471 226 T N 7.153 122.090 114.554 0.638 0.000 3.143 226 T HA 0.287 4.637 4.350 0.000 0.000 0.312 226 T C -2.987 171.981 174.700 0.448 0.000 0.986 226 T CA -1.093 61.242 62.100 0.391 0.000 1.024 226 T CB 1.927 71.062 68.868 0.445 0.000 1.030 226 T HN 0.347 nan 8.240 nan 0.000 0.448 227 P HA 0.399 nan 4.420 nan 0.000 0.296 227 P C -1.035 176.430 177.300 0.275 0.000 1.306 227 P CA -0.503 62.771 63.100 0.291 0.000 0.818 227 P CB 0.838 32.617 31.700 0.133 0.000 0.969 228 H N 1.269 120.403 119.070 0.107 0.000 2.492 228 H HA 0.630 5.186 4.556 0.000 0.000 0.345 228 H C -0.358 174.968 175.328 -0.004 0.000 1.136 228 H CA -1.008 55.078 56.048 0.063 0.000 1.202 228 H CB 2.385 32.184 29.762 0.061 0.000 1.524 228 H HN 0.498 nan 8.280 nan 0.000 0.506 229 A N 2.224 125.051 122.820 0.012 0.000 2.355 229 A HA 0.572 4.892 4.320 0.000 0.000 0.324 229 A C -0.553 177.000 177.584 -0.052 0.000 1.117 229 A CA -0.450 51.537 52.037 -0.082 0.000 0.785 229 A CB 0.868 19.706 19.000 -0.270 0.000 1.254 229 A HN 0.751 nan 8.150 nan 0.000 0.453 230 c N 0.308 118.879 118.600 -0.047 0.000 2.562 230 c HA 0.585 5.155 4.570 0.000 0.000 0.332 230 c C 2.062 176.106 174.090 -0.077 0.000 1.201 230 c CA 0.176 56.480 56.329 -0.041 0.000 1.803 230 c CB 1.583 44.087 42.510 -0.009 0.000 2.328 230 c HN 1.014 nan 8.230 nan 0.000 0.500 231 T N 0.374 114.874 114.554 -0.089 0.000 2.652 231 T HA -0.115 4.236 4.350 0.000 0.000 0.267 231 T C 0.691 175.326 174.700 -0.108 0.000 1.039 231 T CA 1.525 63.564 62.100 -0.102 0.000 1.153 231 T CB -0.464 68.337 68.868 -0.111 0.000 0.863 231 T HN 0.759 nan 8.240 nan 0.000 0.428 232 T N 2.856 117.317 114.554 -0.154 0.000 2.832 232 T HA 0.278 4.628 4.350 0.000 0.000 0.313 232 T C 0.764 175.426 174.700 -0.062 0.000 1.035 232 T CA -0.488 61.530 62.100 -0.137 0.000 0.950 232 T CB 0.489 69.203 68.868 -0.256 0.000 0.984 232 T HN 0.308 nan 8.240 nan 0.000 0.486 233 N N 2.231 120.913 118.700 -0.029 0.000 2.550 233 N HA -0.048 4.693 4.740 0.000 0.000 0.186 233 N C 0.930 176.458 175.510 0.029 0.000 1.110 233 N CA 0.444 53.493 53.050 -0.001 0.000 0.912 233 N CB 0.517 39.000 38.487 -0.006 0.000 0.968 233 N HN 0.727 nan 8.380 nan 0.000 0.448 234 E N 0.353 120.581 120.200 0.045 0.000 2.259 234 E HA 0.049 4.399 4.350 0.000 0.000 0.257 234 E C -0.678 176.010 176.600 0.148 0.000 0.998 234 E CA -0.817 55.636 56.400 0.089 0.000 0.866 234 E CB 0.497 30.247 29.700 0.084 0.000 1.220 234 E HN 0.038 nan 8.360 nan 0.000 0.415 235 Y N 1.898 122.231 120.300 0.054 0.000 2.805 235 Y HA -0.103 4.447 4.550 0.000 0.000 0.331 235 Y C 0.238 176.213 175.900 0.125 0.000 1.241 235 Y CA 0.994 59.130 58.100 0.061 0.000 1.546 235 Y CB 0.171 38.661 38.460 0.050 0.000 1.248 235 Y HN 0.492 nan 8.280 nan 0.000 0.559 236 H N 3.641 122.743 119.070 0.053 0.000 3.046 236 H HA 0.467 5.023 4.556 0.000 0.000 0.363 236 H C -2.144 173.173 175.328 -0.018 0.000 1.203 236 H CA -0.985 55.109 56.048 0.076 0.000 1.169 236 H CB 0.787 30.556 29.762 0.011 0.000 1.851 236 H HN 0.408 nan 8.280 nan 0.000 0.546 237 V N 3.530 123.396 119.914 -0.078 0.000 2.370 237 V HA 0.177 4.297 4.120 0.000 0.000 0.279 237 V C 1.229 177.144 176.094 -0.298 0.000 1.029 237 V CA -0.534 61.580 62.300 -0.311 0.000 0.870 237 V CB 0.431 32.040 31.823 -0.356 0.000 0.984 237 V HN 0.939 nan 8.190 nan 0.000 0.451 238 c N 3.515 121.895 118.600 -0.368 0.000 2.403 238 c HA 0.868 5.439 4.570 0.000 0.000 0.361 238 c C 0.094 174.226 174.090 0.069 0.000 1.274 238 c CA -0.555 55.698 56.329 -0.126 0.000 2.433 238 c CB 0.815 43.236 42.510 -0.149 0.000 2.323 238 c HN 1.012 nan 8.230 nan 0.000 0.614 239 E N 0.906 121.203 120.200 0.162 0.000 2.409 239 E HA 0.435 4.785 4.350 0.000 0.000 0.259 239 E C 0.549 177.212 176.600 0.104 0.000 0.932 239 E CA 0.541 57.097 56.400 0.260 0.000 0.809 239 E CB 0.752 30.620 29.700 0.281 0.000 1.341 239 E HN 1.436 nan 8.360 nan 0.000 0.405 240 T N 0.604 115.198 114.554 0.067 0.000 13.896 240 T HA -0.435 3.915 4.350 0.000 0.000 0.419 240 T C 1.596 176.302 174.700 0.010 0.000 1.441 240 T CA 2.283 64.389 62.100 0.010 0.000 2.340 240 T CB -2.514 66.341 68.868 -0.023 0.000 2.773 240 T HN 0.626 nan 8.240 nan 0.000 0.398 241 T N 2.343 116.900 114.554 0.006 0.000 2.822 241 T HA -0.100 4.251 4.350 0.000 0.000 0.270 241 T C 1.410 176.120 174.700 0.017 0.000 1.064 241 T CA 1.635 63.738 62.100 0.006 0.000 1.131 241 T CB -0.683 68.189 68.868 0.007 0.000 0.858 241 T HN 0.776 nan 8.240 nan 0.000 0.483 242 N N 0.667 119.386 118.700 0.032 0.000 2.362 242 N HA 0.124 4.864 4.740 0.000 0.000 0.204 242 N C -0.264 175.276 175.510 0.050 0.000 1.166 242 N CA 0.030 53.108 53.050 0.047 0.000 0.831 242 N CB -0.303 38.222 38.487 0.063 0.000 1.008 242 N HN 0.422 nan 8.380 nan 0.000 0.472 243 c N 0.034 118.649 118.600 0.025 0.000 2.391 243 c HA 0.853 5.423 4.570 0.000 0.000 0.339 243 c C 1.146 175.224 174.090 -0.020 0.000 1.205 243 c CA -0.676 55.654 56.329 0.002 0.000 1.937 243 c CB 1.191 43.700 42.510 -0.002 0.000 2.341 243 c HN 0.398 nan 8.230 nan 0.000 0.516 244 G N -0.093 108.684 108.800 -0.039 0.000 3.105 244 G HA2 0.800 4.760 3.960 0.000 0.000 0.277 244 G HA3 0.800 4.760 3.960 0.000 0.000 0.277 244 G C -0.114 174.712 174.900 -0.125 0.000 1.375 244 G CA 0.312 45.363 45.100 -0.083 0.000 0.962 244 G HN 1.691 nan 8.290 nan 0.000 0.541 245 G N -1.411 107.270 108.800 -0.199 0.000 2.475 245 G HA2 -0.058 3.902 3.960 0.000 0.000 0.223 245 G HA3 -0.058 3.902 3.960 0.000 0.000 0.223 245 G C 1.075 175.766 174.900 -0.348 0.000 1.201 245 G CA 0.939 45.894 45.100 -0.241 0.000 0.962 245 G HN 1.202 nan 8.290 nan 0.000 0.586 246 T N 0.511 114.785 114.554 -0.467 0.000 2.612 246 T HA 0.035 4.385 4.350 0.000 0.000 0.259 246 T C 1.132 175.353 174.700 -0.800 0.000 1.065 246 T CA 2.288 63.911 62.100 -0.795 0.000 1.167 246 T CB -0.370 67.736 68.868 -1.270 0.000 0.863 246 T HN 0.434 nan 8.240 nan 0.000 0.407 247 Y N 2.911 123.037 120.300 -0.289 0.000 2.714 247 Y HA 0.526 5.076 4.550 0.000 0.000 0.333 247 Y C 0.568 176.368 175.900 -0.167 0.000 1.220 247 Y CA -0.904 57.058 58.100 -0.230 0.000 1.513 247 Y CB -0.367 37.985 38.460 -0.179 0.000 1.435 247 Y HN 0.173 nan 8.280 nan 0.000 0.489 248 S N -0.630 115.021 115.700 -0.082 0.000 2.636 248 S HA 0.333 4.803 4.470 0.000 0.000 0.266 248 S C 0.043 174.595 174.600 -0.080 0.000 1.147 248 S CA -1.111 57.049 58.200 -0.066 0.000 0.815 248 S CB 1.590 64.745 63.200 -0.075 0.000 1.119 248 S HN 0.332 nan 8.310 nan 0.000 0.470 249 E N 0.465 120.631 120.200 -0.057 0.000 2.170 249 E HA 0.158 4.508 4.350 0.000 0.000 0.191 249 E C -0.285 176.278 176.600 -0.062 0.000 0.981 249 E CA 1.055 57.427 56.400 -0.046 0.000 0.830 249 E CB 0.184 29.869 29.700 -0.025 0.000 0.775 249 E HN 0.622 nan 8.360 nan 0.000 0.470 250 D N -1.304 119.050 120.400 -0.077 0.000 2.505 250 D HA 0.201 4.841 4.640 0.000 0.000 0.249 250 D C 0.426 176.587 176.300 -0.232 0.000 1.082 250 D CA -0.468 53.470 54.000 -0.104 0.000 0.839 250 D CB 1.116 41.908 40.800 -0.012 0.000 1.317 250 D HN -0.214 nan 8.370 nan 0.000 0.497 251 R N 2.085 122.289 120.500 -0.492 0.000 2.080 251 R HA -0.093 4.247 4.340 0.000 0.000 0.236 251 R C 1.025 176.962 176.300 -0.604 0.000 1.137 251 R CA 1.671 57.335 56.100 -0.727 0.000 0.943 251 R CB -0.145 29.430 30.300 -1.208 0.000 0.846 251 R HN 0.524 nan 8.270 nan 0.000 0.431 252 F N -0.317 119.624 119.950 -0.014 0.000 2.732 252 F HA 0.332 4.860 4.527 0.000 0.000 0.303 252 F C 0.780 176.575 175.800 -0.009 0.000 1.110 252 F CA -0.342 57.653 58.000 -0.008 0.000 1.355 252 F CB 0.134 39.131 39.000 -0.006 0.000 1.081 252 F HN -0.059 nan 8.300 nan 0.000 0.565 253 A N 1.325 124.188 122.820 0.070 0.000 3.026 253 A HA 0.602 4.922 4.320 0.000 0.000 0.272 253 A C 0.849 178.454 177.584 0.036 0.000 1.782 253 A CA 0.632 52.701 52.037 0.053 0.000 1.451 253 A CB -1.227 17.786 19.000 0.021 0.000 1.081 253 A HN 0.501 nan 8.150 nan 0.000 0.611 254 G N -0.102 108.730 108.800 0.055 0.000 2.635 254 G HA2 0.379 4.339 3.960 0.000 0.000 0.194 254 G HA3 0.379 4.339 3.960 0.000 0.000 0.194 254 G C 0.177 175.115 174.900 0.062 0.000 1.198 254 G CA -0.372 44.764 45.100 0.059 0.000 0.972 254 G HN 0.122 nan 8.290 nan 0.000 0.520 255 K N -0.945 119.506 120.400 0.084 0.000 2.402 255 K HA 0.375 4.695 4.320 0.000 0.000 0.204 255 K C -0.600 176.010 176.600 0.016 0.000 1.056 255 K CA 0.045 56.343 56.287 0.019 0.000 1.069 255 K CB 0.768 33.215 32.500 -0.088 0.000 0.888 255 K HN 0.361 nan 8.250 nan 0.000 0.546 256 c N 0.180 118.812 118.600 0.053 0.000 2.971 256 c HA 0.335 4.905 4.570 0.000 0.000 0.310 256 c C -0.635 173.496 174.090 0.069 0.000 1.285 256 c CA -1.087 55.272 56.329 0.051 0.000 1.593 256 c CB 1.903 44.451 42.510 0.063 0.000 2.076 256 c HN 0.272 nan 8.230 nan 0.000 0.472 257 D N 0.498 120.948 120.400 0.083 0.000 2.412 257 D HA 0.547 5.187 4.640 0.000 0.000 0.224 257 D C 0.437 176.886 176.300 0.249 0.000 1.093 257 D CA -0.135 53.936 54.000 0.119 0.000 0.850 257 D CB 1.262 42.083 40.800 0.035 0.000 1.046 257 D HN 0.655 nan 8.370 nan 0.000 0.507 258 A N 3.792 126.745 122.820 0.221 0.000 2.267 258 A HA 0.043 4.363 4.320 0.000 0.000 0.213 258 A C 1.330 179.070 177.584 0.261 0.000 1.192 258 A CA 0.235 52.413 52.037 0.235 0.000 0.851 258 A CB 0.057 19.053 19.000 -0.006 0.000 0.881 258 A HN 0.486 nan 8.150 nan 0.000 0.494 259 N N -0.157 118.657 118.700 0.190 0.000 2.508 259 N HA 0.332 5.072 4.740 0.000 0.000 0.186 259 N C 1.135 176.629 175.510 -0.028 0.000 1.034 259 N CA 0.956 54.099 53.050 0.154 0.000 0.885 259 N CB -0.407 38.252 38.487 0.287 0.000 1.135 259 N HN 0.536 nan 8.380 nan 0.000 0.435 260 G N 0.336 109.070 108.800 -0.110 0.000 2.960 260 G HA2 -0.301 3.659 3.960 0.000 0.000 0.267 260 G HA3 -0.301 3.659 3.960 0.000 0.000 0.267 260 G C -0.325 174.616 174.900 0.069 0.000 1.492 260 G CA -0.207 44.765 45.100 -0.213 0.000 0.953 260 G HN 0.473 nan 8.290 nan 0.000 0.555 261 c N 2.644 121.325 118.600 0.135 0.000 2.262 261 c HA 0.474 5.044 4.570 0.000 0.000 0.413 261 c C 0.482 174.594 174.090 0.036 0.000 1.019 261 c CA -0.243 56.121 56.329 0.058 0.000 1.320 261 c CB -2.215 40.181 42.510 -0.190 0.000 1.657 261 c HN 0.760 nan 8.230 nan 0.000 0.510 262 D N 1.389 121.835 120.400 0.077 0.000 2.264 262 D HA 0.140 4.780 4.640 0.000 0.000 0.249 262 D C -0.719 175.702 176.300 0.202 0.000 1.070 262 D CA -0.449 53.647 54.000 0.159 0.000 0.912 262 D CB 0.558 41.475 40.800 0.195 0.000 1.193 262 D HN 0.422 nan 8.370 nan 0.000 0.427 263 Y N 1.201 121.582 120.300 0.136 0.000 2.518 263 Y HA 0.243 4.793 4.550 0.000 0.000 0.344 263 Y C -0.327 175.669 175.900 0.160 0.000 0.982 263 Y CA -0.750 57.449 58.100 0.166 0.000 1.234 263 Y CB 0.528 39.124 38.460 0.227 0.000 1.114 263 Y HN 0.349 nan 8.280 nan 0.000 0.515 264 N N 7.975 126.621 118.700 -0.090 0.000 2.621 264 N HA 0.256 4.996 4.740 0.000 0.000 0.237 264 N C -2.272 173.077 175.510 -0.269 0.000 0.997 264 N CA -2.285 50.679 53.050 -0.144 0.000 0.918 264 N CB 1.714 40.179 38.487 -0.037 0.000 1.122 264 N HN 0.296 nan 8.380 nan 0.000 0.510 265 P HA -0.180 nan 4.420 nan 0.000 0.215 265 P C 1.012 178.236 177.300 -0.126 0.000 1.163 265 P CA 1.247 64.164 63.100 -0.306 0.000 0.894 265 P CB -0.013 31.510 31.700 -0.295 0.000 0.791 266 Y N -0.026 120.177 120.300 -0.163 0.000 2.483 266 Y HA -0.093 4.457 4.550 0.000 0.000 0.291 266 Y C 2.325 178.214 175.900 -0.020 0.000 1.143 266 Y CA 1.118 59.179 58.100 -0.065 0.000 1.289 266 Y CB -0.460 37.981 38.460 -0.033 0.000 0.983 266 Y HN -0.187 nan 8.280 nan 0.000 0.556 267 R N -1.149 119.459 120.500 0.180 0.000 2.161 267 R HA -0.038 4.302 4.340 0.000 0.000 0.213 267 R C 1.472 178.069 176.300 0.494 0.000 1.055 267 R CA 0.758 56.976 56.100 0.197 0.000 0.996 267 R CB 0.076 30.393 30.300 0.030 0.000 0.901 267 R HN 0.280 nan 8.270 nan 0.000 0.456 268 M N -1.000 118.772 119.600 0.287 0.000 2.495 268 M HA 0.155 4.635 4.480 0.000 0.000 0.237 268 M C 0.850 177.059 176.300 -0.151 0.000 1.131 268 M CA 0.611 56.065 55.300 0.257 0.000 1.032 268 M CB 0.847 33.344 32.600 -0.171 0.000 1.513 268 M HN 0.383 nan 8.290 nan 0.000 0.488 269 G N 1.333 110.031 108.800 -0.171 0.000 2.163 269 G HA2 -0.194 3.766 3.960 0.000 0.000 0.213 269 G HA3 -0.194 3.766 3.960 0.000 0.000 0.213 269 G C -0.079 174.611 174.900 -0.349 0.000 0.991 269 G CA -0.427 44.426 45.100 -0.412 0.000 0.653 269 G HN 0.516 nan 8.290 nan 0.000 0.518 270 N N 1.358 119.890 118.700 -0.280 0.000 2.817 270 N HA 0.299 5.039 4.740 0.000 0.000 0.234 270 N C -1.898 173.445 175.510 -0.279 0.000 1.066 270 N CA -0.998 51.900 53.050 -0.252 0.000 0.926 270 N CB 2.098 40.447 38.487 -0.230 0.000 1.176 270 N HN 0.238 nan 8.380 nan 0.000 0.506 271 P HA 0.049 nan 4.420 nan 0.000 0.245 271 P C -0.648 176.470 177.300 -0.303 0.000 1.203 271 P CA 0.623 63.248 63.100 -0.791 0.000 0.792 271 P CB 0.503 31.672 31.700 -0.884 0.000 0.997 272 D N -0.014 120.317 120.400 -0.115 0.000 2.458 272 D HA 0.228 4.868 4.640 0.000 0.000 0.258 272 D C -0.254 176.117 176.300 0.117 0.000 1.134 272 D CA -0.558 53.439 54.000 -0.004 0.000 0.915 272 D CB 0.785 41.570 40.800 -0.024 0.000 1.028 272 D HN 0.128 nan 8.370 nan 0.000 0.508 273 F N 1.087 121.020 119.950 -0.029 0.000 1.781 273 F HA 0.173 4.701 4.527 0.000 0.000 0.267 273 F C -1.497 174.327 175.800 0.041 0.000 1.142 273 F CA -0.323 57.678 58.000 0.003 0.000 1.284 273 F CB 0.554 39.564 39.000 0.017 0.000 1.728 273 F HN 0.093 nan 8.300 nan 0.000 0.437 274 Y N 2.467 122.577 120.300 -0.317 0.000 2.330 274 Y HA 0.637 5.187 4.550 0.000 0.000 0.336 274 Y C -0.003 175.784 175.900 -0.189 0.000 1.036 274 Y CA 0.258 58.088 58.100 -0.451 0.000 1.125 274 Y CB 1.224 39.593 38.460 -0.152 0.000 1.194 274 Y HN 0.658 nan 8.280 nan 0.000 0.469 275 G N 3.670 112.064 108.800 -0.677 0.000 2.368 275 G HA2 0.057 4.017 3.960 0.000 0.000 0.302 275 G HA3 0.057 4.017 3.960 0.000 0.000 0.302 275 G C -1.799 172.830 174.900 -0.451 0.000 1.329 275 G CA -1.504 43.286 45.100 -0.518 0.000 0.935 275 G HN 0.470 nan 8.290 nan 0.000 0.590 276 K N 0.723 120.897 120.400 -0.378 0.000 2.437 276 K HA 0.435 4.756 4.320 0.000 0.000 0.277 276 K C 1.501 177.978 176.600 -0.205 0.000 1.073 276 K CA 1.846 57.971 56.287 -0.271 0.000 1.105 276 K CB 0.172 32.532 32.500 -0.234 0.000 0.881 276 K HN 2.151 nan 8.250 nan 0.000 0.475 277 G N 2.502 111.190 108.800 -0.186 0.000 2.302 277 G HA2 -0.345 3.616 3.960 0.000 0.000 0.263 277 G HA3 -0.345 3.616 3.960 0.000 0.000 0.263 277 G C 0.382 175.187 174.900 -0.158 0.000 0.995 277 G CA 0.414 45.428 45.100 -0.143 0.000 0.622 277 G HN 0.499 nan 8.290 nan 0.000 0.538 278 K N 0.190 120.469 120.400 -0.203 0.000 2.202 278 K HA 0.124 4.444 4.320 0.000 0.000 0.250 278 K C 1.878 178.338 176.600 -0.232 0.000 1.033 278 K CA 0.667 56.834 56.287 -0.201 0.000 0.818 278 K CB -0.556 31.797 32.500 -0.244 0.000 1.049 278 K HN 0.171 nan 8.250 nan 0.000 0.529 279 T N 0.635 115.062 114.554 -0.211 0.000 2.597 279 T HA -0.174 4.177 4.350 0.000 0.000 0.267 279 T C 0.716 175.214 174.700 -0.337 0.000 1.053 279 T CA 1.101 63.091 62.100 -0.182 0.000 1.165 279 T CB -0.071 68.800 68.868 0.005 0.000 0.863 279 T HN 0.132 nan 8.240 nan 0.000 0.427 280 L N 3.109 123.920 121.223 -0.686 0.000 2.352 280 L HA 0.331 4.671 4.340 0.000 0.000 0.272 280 L C -0.505 175.911 176.870 -0.756 0.000 1.109 280 L CA -0.990 53.377 54.840 -0.789 0.000 0.952 280 L CB -0.334 41.080 42.059 -1.076 0.000 1.314 280 L HN 0.138 nan 8.230 nan 0.000 0.427 281 D N 1.707 121.785 120.400 -0.536 0.000 2.336 281 D HA 0.048 4.688 4.640 0.000 0.000 0.249 281 D C 0.910 176.959 176.300 -0.418 0.000 1.213 281 D CA 0.002 53.754 54.000 -0.414 0.000 0.870 281 D CB 0.947 41.607 40.800 -0.234 0.000 1.076 281 D HN 0.529 nan 8.370 nan 0.000 0.483 282 T N 0.102 114.373 114.554 -0.472 0.000 3.273 282 T HA 0.098 4.448 4.350 0.000 0.000 0.254 282 T C 1.089 175.737 174.700 -0.087 0.000 1.002 282 T CA 0.049 61.996 62.100 -0.255 0.000 0.913 282 T CB -0.437 68.119 68.868 -0.520 0.000 1.056 282 T HN 0.223 nan 8.240 nan 0.000 0.576 283 S N 0.546 116.194 115.700 -0.086 0.000 2.517 283 S HA 0.301 4.771 4.470 0.000 0.000 0.214 283 S C 0.547 175.145 174.600 -0.004 0.000 0.991 283 S CA -0.852 57.313 58.200 -0.058 0.000 0.906 283 S CB -0.054 63.099 63.200 -0.079 0.000 0.789 283 S HN 0.699 nan 8.310 nan 0.000 0.513 284 R N 0.558 121.087 120.500 0.048 0.000 2.771 284 R HA 0.630 4.970 4.340 0.000 0.000 0.274 284 R C -1.065 175.322 176.300 0.146 0.000 0.987 284 R CA -1.025 55.112 56.100 0.062 0.000 0.908 284 R CB 0.745 31.068 30.300 0.039 0.000 1.213 284 R HN -0.037 nan 8.270 nan 0.000 0.468 285 K N 1.036 121.444 120.400 0.012 0.000 2.542 285 K HA 0.127 4.447 4.320 0.000 0.000 0.276 285 K C -0.919 175.699 176.600 0.031 0.000 0.963 285 K CA 0.625 56.831 56.287 -0.134 0.000 0.975 285 K CB 0.232 32.671 32.500 -0.101 0.000 0.901 285 K HN 0.568 nan 8.250 nan 0.000 0.506 286 F N -2.005 117.946 119.950 0.003 0.000 2.741 286 F HA 0.350 4.877 4.527 0.001 0.000 0.311 286 F C -1.080 174.701 175.800 -0.030 0.000 1.149 286 F CA -1.173 56.820 58.000 -0.011 0.000 0.930 286 F CB 1.306 40.289 39.000 -0.028 0.000 1.312 286 F HN 0.221 nan 8.300 nan 0.000 0.450 287 T N 1.850 116.494 114.554 0.150 0.000 2.824 287 T HA 0.664 5.014 4.350 0.000 0.000 0.280 287 T C -0.911 173.700 174.700 -0.148 0.000 0.995 287 T CA -0.591 61.434 62.100 -0.125 0.000 1.009 287 T CB 1.710 70.415 68.868 -0.271 0.000 0.955 287 T HN 0.576 nan 8.240 nan 0.000 0.452 288 V N 3.859 123.388 119.914 -0.640 0.000 2.435 288 V HA 0.538 4.658 4.120 0.000 0.000 0.290 288 V C -0.222 175.262 176.094 -1.017 0.000 1.030 288 V CA -0.771 60.929 62.300 -1.000 0.000 0.881 288 V CB 1.592 32.574 31.823 -1.402 0.000 0.983 288 V HN 0.666 nan 8.190 nan 0.000 0.445 289 V N 3.690 122.945 119.914 -1.097 0.000 2.378 289 V HA 0.536 4.656 4.120 0.000 0.000 0.288 289 V C -0.067 175.538 176.094 -0.813 0.000 1.016 289 V CA -0.353 61.340 62.300 -1.011 0.000 0.840 289 V CB 1.725 32.546 31.823 -1.670 0.000 0.994 289 V HN 0.960 nan 8.190 nan 0.000 0.431 290 S N 5.534 120.855 115.700 -0.632 0.000 2.530 290 S HA 0.706 5.176 4.470 0.000 0.000 0.322 290 S C -0.394 173.703 174.600 -0.837 0.000 1.085 290 S CA -1.090 56.714 58.200 -0.661 0.000 1.096 290 S CB 1.370 64.228 63.200 -0.570 0.000 0.988 290 S HN 0.735 nan 8.310 nan 0.000 0.466 291 R N 1.339 121.473 120.500 -0.610 0.000 2.720 291 R HA 0.645 4.986 4.340 0.000 0.000 0.272 291 R C -1.287 174.671 176.300 -0.571 0.000 0.991 291 R CA -0.796 54.934 56.100 -0.617 0.000 1.010 291 R CB 0.965 31.132 30.300 -0.222 0.000 1.141 291 R HN 0.607 nan 8.270 nan 0.000 0.494 292 F N 1.264 121.249 119.950 0.059 0.000 2.646 292 F HA 0.269 4.796 4.527 0.000 0.000 0.364 292 F C 0.128 175.998 175.800 0.116 0.000 1.137 292 F CA -0.858 57.223 58.000 0.134 0.000 1.085 292 F CB 1.196 40.253 39.000 0.095 0.000 1.331 292 F HN 0.417 nan 8.300 nan 0.000 0.472 293 E N 1.277 121.644 120.200 0.279 0.000 2.299 293 E HA 0.310 4.660 4.350 0.000 0.000 0.265 293 E C -0.766 175.955 176.600 0.201 0.000 0.911 293 E CA -1.031 55.483 56.400 0.190 0.000 0.789 293 E CB 1.935 31.702 29.700 0.112 0.000 1.246 293 E HN 0.392 nan 8.360 nan 0.000 0.427 294 E N 1.360 121.649 120.200 0.147 0.000 2.529 294 E HA -0.112 4.238 4.350 0.000 0.000 0.259 294 E C -0.096 176.541 176.600 0.062 0.000 0.966 294 E CA 0.404 56.885 56.400 0.135 0.000 0.937 294 E CB 0.104 29.857 29.700 0.088 0.000 0.923 294 E HN 0.453 nan 8.360 nan 0.000 0.468 295 N N 2.624 121.357 118.700 0.055 0.000 2.666 295 N HA -0.239 4.501 4.740 0.000 0.000 0.248 295 N C -0.705 174.406 175.510 -0.664 0.000 1.118 295 N CA 1.440 54.211 53.050 -0.465 0.000 0.722 295 N CB -0.425 37.871 38.487 -0.319 0.000 1.050 295 N HN 0.471 nan 8.380 nan 0.000 0.550 296 K N -0.236 120.081 120.400 -0.138 0.000 2.572 296 K HA 0.356 4.676 4.320 0.000 0.000 0.263 296 K C -1.691 175.053 176.600 0.240 0.000 0.932 296 K CA -0.658 55.619 56.287 -0.017 0.000 0.838 296 K CB 1.230 33.700 32.500 -0.050 0.000 1.366 296 K HN -0.127 nan 8.250 nan 0.000 0.425 297 L N 1.813 123.208 121.223 0.287 0.000 2.370 297 L HA 0.596 4.936 4.340 0.000 0.000 0.266 297 L C -0.574 176.508 176.870 0.353 0.000 1.002 297 L CA -0.439 54.639 54.840 0.396 0.000 0.818 297 L CB 1.771 44.102 42.059 0.452 0.000 1.325 297 L HN 0.839 nan 8.230 nan 0.000 0.418 298 S N 2.006 117.911 115.700 0.342 0.000 2.579 298 S HA 0.843 5.313 4.470 0.000 0.000 0.272 298 S C -1.081 173.543 174.600 0.041 0.000 1.141 298 S CA -0.856 57.459 58.200 0.192 0.000 0.843 298 S CB 2.775 66.030 63.200 0.092 0.000 1.122 298 S HN 0.502 nan 8.310 nan 0.000 0.468 299 Q N 0.696 120.503 119.800 0.012 0.000 2.380 299 Q HA 0.381 4.721 4.340 0.000 0.000 0.245 299 Q C -1.831 174.082 176.000 -0.145 0.000 0.893 299 Q CA -0.524 55.155 55.803 -0.207 0.000 0.922 299 Q CB 1.464 30.045 28.738 -0.262 0.000 1.432 299 Q HN 0.898 nan 8.270 nan 0.000 0.434 300 Y N 0.841 120.907 120.300 -0.390 0.000 2.780 300 Y HA 0.892 5.443 4.550 0.000 0.000 0.340 300 Y C -0.564 174.909 175.900 -0.712 0.000 1.216 300 Y CA -0.979 56.928 58.100 -0.322 0.000 1.245 300 Y CB 1.132 39.501 38.460 -0.153 0.000 1.492 300 Y HN 0.355 nan 8.280 nan 0.000 0.660 301 F N -0.763 119.248 119.950 0.102 0.000 2.686 301 F HA 0.600 5.128 4.527 0.000 0.000 0.311 301 F C -1.420 174.391 175.800 0.017 0.000 1.128 301 F CA -0.942 57.044 58.000 -0.025 0.000 0.946 301 F CB 2.237 41.268 39.000 0.052 0.000 1.336 301 F HN 0.177 nan 8.300 nan 0.000 0.457 302 I N 1.885 122.556 120.570 0.168 0.000 2.540 302 I HA 0.278 4.448 4.170 0.000 0.000 0.280 302 I C -1.160 175.025 176.117 0.112 0.000 1.083 302 I CA -0.089 61.277 61.300 0.110 0.000 1.080 302 I CB 1.865 39.888 38.000 0.038 0.000 1.205 302 I HN 0.475 nan 8.210 nan 0.000 0.459 303 Q N 3.997 123.858 119.800 0.101 0.000 2.333 303 Q HA 0.387 4.728 4.340 0.000 0.000 0.267 303 Q C -0.667 175.372 176.000 0.065 0.000 1.012 303 Q CA -0.426 55.429 55.803 0.087 0.000 0.824 303 Q CB 1.328 30.091 28.738 0.043 0.000 1.290 303 Q HN 0.515 nan 8.270 nan 0.000 0.449 304 D N 3.136 123.576 120.400 0.068 0.000 2.708 304 D HA -0.224 4.417 4.640 0.000 0.000 0.236 304 D C 0.672 177.015 176.300 0.071 0.000 1.146 304 D CA 1.843 55.877 54.000 0.057 0.000 0.662 304 D CB -0.970 39.852 40.800 0.035 0.000 1.059 304 D HN 1.013 nan 8.370 nan 0.000 0.428 305 G N -0.662 108.198 108.800 0.100 0.000 2.245 305 G HA2 -0.409 3.551 3.960 0.000 0.000 0.264 305 G HA3 -0.409 3.551 3.960 0.000 0.000 0.264 305 G C 0.485 175.495 174.900 0.183 0.000 0.985 305 G CA 0.419 45.605 45.100 0.143 0.000 0.625 305 G HN 0.520 nan 8.290 nan 0.000 0.536 306 R N 0.697 121.261 120.500 0.107 0.000 2.229 306 R HA 0.412 4.752 4.340 0.000 0.000 0.328 306 R C 0.349 176.638 176.300 -0.019 0.000 1.009 306 R CA -0.535 55.588 56.100 0.038 0.000 0.864 306 R CB 0.931 31.241 30.300 0.016 0.000 1.085 306 R HN 0.248 nan 8.270 nan 0.000 0.453 307 K N 3.718 123.974 120.400 -0.239 0.000 2.402 307 K HA 0.076 4.396 4.320 0.000 0.000 0.285 307 K C -0.747 175.777 176.600 -0.128 0.000 1.054 307 K CA 0.145 56.202 56.287 -0.383 0.000 1.001 307 K CB 0.260 32.015 32.500 -1.242 0.000 0.946 307 K HN 0.371 nan 8.250 nan 0.000 0.473 308 I N 4.310 124.930 120.570 0.084 0.000 2.354 308 I HA 0.176 4.346 4.170 0.000 0.000 0.292 308 I C 0.155 176.446 176.117 0.289 0.000 0.989 308 I CA -0.528 60.885 61.300 0.189 0.000 1.188 308 I CB 1.563 39.716 38.000 0.254 0.000 1.342 308 I HN 0.728 nan 8.210 nan 0.000 0.457 309 E N 5.052 125.370 120.200 0.197 0.000 2.421 309 E HA 0.420 4.771 4.350 0.000 0.000 0.253 309 E C -0.714 176.039 176.600 0.254 0.000 1.277 309 E CA 0.141 56.640 56.400 0.165 0.000 0.968 309 E CB 0.569 30.303 29.700 0.057 0.000 1.040 309 E HN 0.347 nan 8.360 nan 0.000 0.512 310 I N 2.382 123.036 120.570 0.138 0.000 2.465 310 I HA 0.284 4.454 4.170 0.000 0.000 0.291 310 I C -2.086 173.988 176.117 -0.072 0.000 1.014 310 I CA -2.327 59.018 61.300 0.075 0.000 1.093 310 I CB 1.875 39.992 38.000 0.195 0.000 1.267 310 I HN 0.357 nan 8.210 nan 0.000 0.431 311 P HA 0.146 nan 4.420 nan 0.000 0.265 311 P C -2.686 174.618 177.300 0.006 0.000 1.193 311 P CA -0.915 62.046 63.100 -0.232 0.000 0.765 311 P CB -0.228 31.205 31.700 -0.444 0.000 0.823 312 P HA 0.334 nan 4.420 nan 0.000 0.282 312 P C -2.538 174.774 177.300 0.019 0.000 1.259 312 P CA -2.504 60.639 63.100 0.071 0.000 0.826 312 P CB -0.558 31.149 31.700 0.012 0.000 1.064 313 P HA 0.026 nan 4.420 nan 0.000 0.276 313 P C 0.653 177.880 177.300 -0.123 0.000 1.230 313 P CA 0.158 63.241 63.100 -0.028 0.000 0.776 313 P CB 0.381 32.140 31.700 0.099 0.000 0.888 314 T N -0.533 113.808 114.554 -0.354 0.000 2.735 314 T HA -0.091 4.259 4.350 0.000 0.000 0.256 314 T C 0.442 175.014 174.700 -0.214 0.000 1.042 314 T CA -0.124 61.753 62.100 -0.371 0.000 1.147 314 T CB -1.277 67.235 68.868 -0.593 0.000 0.865 314 T HN 0.390 nan 8.240 nan 0.000 0.421 315 W N 3.260 124.533 121.300 -0.046 0.000 2.499 315 W HA 0.042 4.702 4.660 0.000 0.000 0.344 315 W C 0.677 177.154 176.519 -0.070 0.000 0.861 315 W CA -0.727 56.579 57.345 -0.065 0.000 0.912 315 W CB -0.365 29.007 29.460 -0.147 0.000 1.015 315 W HN 0.238 nan 8.180 nan 0.000 0.563 316 E N 1.724 122.047 120.200 0.206 0.000 2.422 316 E HA 0.250 4.601 4.350 0.000 0.000 0.260 316 E C 1.323 177.966 176.600 0.071 0.000 1.108 316 E CA 1.308 57.767 56.400 0.098 0.000 0.943 316 E CB 0.722 30.467 29.700 0.074 0.000 0.961 316 E HN 0.531 nan 8.360 nan 0.000 0.443 317 G N 1.922 110.742 108.800 0.033 0.000 2.396 317 G HA2 -0.339 3.621 3.960 0.000 0.000 0.242 317 G HA3 -0.339 3.621 3.960 0.000 0.000 0.242 317 G C 0.484 175.384 174.900 -0.001 0.000 1.069 317 G CA 0.449 45.553 45.100 0.008 0.000 0.633 317 G HN 0.472 nan 8.290 nan 0.000 0.517 318 M N 3.071 122.677 119.600 0.011 0.000 2.216 318 M HA 0.374 4.854 4.480 0.000 0.000 0.356 318 M C -1.762 174.549 176.300 0.019 0.000 1.205 318 M CA -1.667 53.635 55.300 0.004 0.000 1.122 318 M CB 1.052 33.662 32.600 0.017 0.000 1.571 318 M HN 0.087 nan 8.290 nan 0.000 0.464 319 P HA -0.027 nan 4.420 nan 0.000 0.268 319 P C -1.145 176.173 177.300 0.030 0.000 1.205 319 P CA -0.000 63.110 63.100 0.017 0.000 0.771 319 P CB 0.275 31.983 31.700 0.013 0.000 0.858 320 N N 1.802 120.511 118.700 0.015 0.000 2.807 320 N HA 0.158 4.899 4.740 0.000 0.000 0.259 320 N C -0.871 174.646 175.510 0.012 0.000 1.149 320 N CA -0.041 53.017 53.050 0.014 0.000 1.042 320 N CB -0.103 38.383 38.487 -0.002 0.000 1.367 320 N HN 0.511 nan 8.380 nan 0.000 0.516 321 S N 0.377 116.095 115.700 0.030 0.000 2.622 321 S HA 0.057 4.527 4.470 0.000 0.000 0.275 321 S C 0.639 175.215 174.600 -0.041 0.000 1.112 321 S CA -0.375 57.824 58.200 -0.003 0.000 0.837 321 S CB 0.574 63.760 63.200 -0.022 0.000 1.082 321 S HN 0.287 nan 8.310 nan 0.000 0.456 322 S N 0.417 116.027 115.700 -0.150 0.000 2.395 322 S HA 0.067 4.537 4.470 0.000 0.000 0.225 322 S C 0.415 174.734 174.600 -0.468 0.000 1.027 322 S CA 0.424 58.322 58.200 -0.503 0.000 0.965 322 S CB -0.938 62.099 63.200 -0.273 0.000 0.812 322 S HN 0.883 nan 8.310 nan 0.000 0.482 323 E N 2.407 122.508 120.200 -0.166 0.000 2.765 323 E HA -0.053 4.297 4.350 0.000 0.000 0.256 323 E C -0.351 176.231 176.600 -0.028 0.000 0.935 323 E CA 0.119 56.491 56.400 -0.047 0.000 0.954 323 E CB 0.062 29.748 29.700 -0.023 0.000 0.908 323 E HN 0.308 nan 8.360 nan 0.000 0.500 324 I N 3.515 124.122 120.570 0.061 0.000 2.452 324 I HA 0.065 4.236 4.170 0.000 0.000 0.287 324 I C 0.928 177.169 176.117 0.206 0.000 1.079 324 I CA 0.241 61.625 61.300 0.139 0.000 1.387 324 I CB -0.066 38.011 38.000 0.129 0.000 1.404 324 I HN 0.561 nan 8.210 nan 0.000 0.522 325 T N 3.944 118.595 114.554 0.161 0.000 2.868 325 T HA 0.468 4.818 4.350 0.000 0.000 0.306 325 T C -2.399 172.350 174.700 0.081 0.000 1.224 325 T CA -1.598 60.428 62.100 -0.125 0.000 1.012 325 T CB 2.213 71.000 68.868 -0.136 0.000 1.221 325 T HN 0.130 nan 8.240 nan 0.000 0.499 326 P HA -0.168 nan 4.420 nan 0.000 0.216 326 P C 1.612 178.945 177.300 0.056 0.000 1.153 326 P CA 1.584 64.777 63.100 0.155 0.000 0.858 326 P CB 0.020 31.773 31.700 0.088 0.000 0.789 327 E N -0.233 119.969 120.200 0.003 0.000 2.130 327 E HA -0.206 4.144 4.350 0.000 0.000 0.196 327 E C 1.913 178.518 176.600 0.008 0.000 0.998 327 E CA 1.087 57.488 56.400 0.001 0.000 0.806 327 E CB -1.017 28.675 29.700 -0.015 0.000 0.738 327 E HN 0.185 nan 8.360 nan 0.000 0.459 328 L N 0.678 121.912 121.223 0.018 0.000 1.961 328 L HA -0.140 4.200 4.340 0.000 0.000 0.209 328 L C 2.670 179.532 176.870 -0.014 0.000 1.075 328 L CA 1.695 56.548 54.840 0.020 0.000 0.749 328 L CB -0.713 41.382 42.059 0.060 0.000 0.890 328 L HN 0.425 nan 8.230 nan 0.000 0.433 329 c N -0.337 118.229 118.600 -0.055 0.000 2.401 329 c HA -0.139 4.431 4.570 0.000 0.000 0.286 329 c C 2.950 177.027 174.090 -0.023 0.000 1.332 329 c CA 1.191 57.391 56.329 -0.216 0.000 1.795 329 c CB -0.798 41.268 42.510 -0.739 0.000 1.922 329 c HN 0.603 nan 8.230 nan 0.000 0.520 330 S N -0.012 115.702 115.700 0.022 0.000 2.355 330 S HA -0.103 4.367 4.470 0.000 0.000 0.216 330 S C 1.732 176.365 174.600 0.055 0.000 1.037 330 S CA 1.545 59.777 58.200 0.054 0.000 0.955 330 S CB -0.715 62.511 63.200 0.044 0.000 0.877 330 S HN 0.809 nan 8.310 nan 0.000 0.488 331 T N -0.466 114.095 114.554 0.013 0.000 3.380 331 T HA 0.321 4.671 4.350 0.000 0.000 0.250 331 T C 1.080 175.727 174.700 -0.088 0.000 1.082 331 T CA 0.182 62.269 62.100 -0.022 0.000 0.968 331 T CB -0.313 68.539 68.868 -0.026 0.000 1.027 331 T HN 0.150 nan 8.240 nan 0.000 0.575 332 M N -1.111 118.447 119.600 -0.071 0.000 2.691 332 M HA 0.324 4.804 4.480 0.000 0.000 0.261 332 M C 1.077 177.229 176.300 -0.247 0.000 1.227 332 M CA 0.705 55.871 55.300 -0.224 0.000 1.197 332 M CB 0.199 32.709 32.600 -0.150 0.000 1.294 332 M HN 0.330 nan 8.290 nan 0.000 0.508 333 F N 0.382 120.273 119.950 -0.098 0.000 2.220 333 F HA -0.099 4.428 4.527 0.000 0.000 0.290 333 F C 2.293 178.070 175.800 -0.039 0.000 1.080 333 F CA 1.264 59.241 58.000 -0.038 0.000 1.318 333 F CB -0.243 38.737 39.000 -0.033 0.000 1.063 333 F HN 0.129 nan 8.300 nan 0.000 0.498 334 D N 0.057 120.528 120.400 0.118 0.000 2.183 334 D HA -0.113 4.527 4.640 0.000 0.000 0.203 334 D C 2.381 178.669 176.300 -0.019 0.000 0.969 334 D CA 0.827 54.853 54.000 0.044 0.000 0.842 334 D CB 0.142 40.957 40.800 0.024 0.000 0.957 334 D HN 0.031 nan 8.370 nan 0.000 0.484 335 V N 1.115 120.983 119.914 -0.078 0.000 2.215 335 V HA -0.293 3.827 4.120 0.000 0.000 0.249 335 V C 2.388 178.389 176.094 -0.155 0.000 1.054 335 V CA 1.588 63.787 62.300 -0.168 0.000 1.012 335 V CB -0.694 30.946 31.823 -0.305 0.000 0.639 335 V HN 0.174 nan 8.190 nan 0.000 0.448 336 F N -0.015 119.745 119.950 -0.317 0.000 2.171 336 F HA -0.016 4.511 4.527 0.000 0.000 0.300 336 F C 1.522 177.177 175.800 -0.242 0.000 1.090 336 F CA 1.239 59.017 58.000 -0.370 0.000 1.293 336 F CB -1.164 37.598 39.000 -0.396 0.000 1.013 336 F HN 0.423 nan 8.300 nan 0.000 0.486 337 N N 0.427 119.148 118.700 0.034 0.000 2.917 337 N HA -0.164 4.576 4.740 0.000 0.000 0.252 337 N C -1.201 174.321 175.510 0.020 0.000 1.097 337 N CA 0.311 53.370 53.050 0.016 0.000 0.669 337 N CB -0.636 37.840 38.487 -0.017 0.000 0.957 337 N HN 0.135 nan 8.380 nan 0.000 0.566 338 D N -0.066 120.381 120.400 0.077 0.000 2.566 338 D HA 0.315 4.955 4.640 0.000 0.000 0.254 338 D C -0.471 175.961 176.300 0.220 0.000 1.090 338 D CA -0.528 53.534 54.000 0.104 0.000 1.034 338 D CB 1.465 42.289 40.800 0.040 0.000 1.434 338 D HN 0.119 nan 8.370 nan 0.000 0.509 339 R N 1.417 121.968 120.500 0.085 0.000 2.316 339 R HA 0.118 4.458 4.340 0.000 0.000 0.314 339 R C -0.212 176.046 176.300 -0.070 0.000 1.069 339 R CA -0.058 55.957 56.100 -0.140 0.000 0.959 339 R CB 0.118 30.015 30.300 -0.672 0.000 0.987 339 R HN 0.388 nan 8.270 nan 0.000 0.446 340 N N 3.182 121.707 118.700 -0.292 0.000 2.437 340 N HA 0.027 4.767 4.740 0.000 0.000 0.243 340 N C 0.789 176.014 175.510 -0.475 0.000 1.041 340 N CA -0.158 52.376 53.050 -0.861 0.000 0.940 340 N CB 0.664 38.446 38.487 -1.176 0.000 1.133 340 N HN 0.507 nan 8.380 nan 0.000 0.506 341 R N 3.813 124.137 120.500 -0.294 0.000 2.290 341 R HA 0.046 4.386 4.340 0.000 0.000 0.197 341 R C 1.231 177.463 176.300 -0.112 0.000 0.913 341 R CA 0.060 56.082 56.100 -0.130 0.000 1.040 341 R CB -0.028 30.293 30.300 0.035 0.000 0.992 341 R HN 0.568 nan 8.270 nan 0.000 0.500 342 F N 1.746 121.523 119.950 -0.288 0.000 2.025 342 F HA -0.208 4.319 4.527 0.000 0.000 0.297 342 F C 1.376 177.070 175.800 -0.177 0.000 1.132 342 F CA 2.199 60.078 58.000 -0.202 0.000 1.191 342 F CB 0.159 39.053 39.000 -0.176 0.000 0.963 342 F HN 0.074 nan 8.300 nan 0.000 0.481 343 E N -0.793 119.411 120.200 0.006 0.000 2.447 343 E HA -0.091 4.260 4.350 0.000 0.000 0.195 343 E C 1.793 178.332 176.600 -0.102 0.000 1.028 343 E CA 0.257 56.637 56.400 -0.033 0.000 0.876 343 E CB -0.050 29.694 29.700 0.072 0.000 0.885 343 E HN 0.521 nan 8.360 nan 0.000 0.500 344 E N 0.761 120.877 120.200 -0.139 0.000 2.347 344 E HA -0.101 4.249 4.350 0.000 0.000 0.196 344 E C 1.250 177.792 176.600 -0.098 0.000 1.008 344 E CA 0.977 57.306 56.400 -0.117 0.000 0.852 344 E CB 0.440 30.062 29.700 -0.130 0.000 0.783 344 E HN 0.198 nan 8.360 nan 0.000 0.505 345 V N -3.851 115.989 119.914 -0.123 0.000 3.176 345 V HA 0.519 4.639 4.120 0.000 0.000 0.332 345 V C 0.325 176.329 176.094 -0.151 0.000 1.414 345 V CA 0.103 62.332 62.300 -0.119 0.000 1.133 345 V CB 0.455 32.212 31.823 -0.110 0.000 1.088 345 V HN 0.108 nan 8.190 nan 0.000 0.473 346 G N -0.215 108.494 108.800 -0.151 0.000 2.919 346 G HA2 0.324 4.284 3.960 0.000 0.000 0.225 346 G HA3 0.324 4.284 3.960 0.000 0.000 0.225 346 G C 0.712 175.505 174.900 -0.178 0.000 1.117 346 G CA -0.115 44.906 45.100 -0.131 0.000 1.033 346 G HN 1.959 nan 8.290 nan 0.000 0.532 347 G N -0.036 108.676 108.800 -0.147 0.000 2.523 347 G HA2 -0.089 3.872 3.960 0.000 0.000 0.734 347 G HA3 -0.089 3.872 3.960 0.000 0.000 0.734 347 G C 0.975 175.812 174.900 -0.105 0.000 1.344 347 G CA 0.651 45.745 45.100 -0.010 0.000 0.902 347 G HN 1.230 nan 8.290 nan 0.000 0.527 348 F N 0.114 120.191 119.950 0.211 0.000 2.333 348 F HA -0.023 4.504 4.527 0.000 0.000 0.300 348 F C 2.601 178.433 175.800 0.053 0.000 1.083 348 F CA 2.046 60.172 58.000 0.211 0.000 1.395 348 F CB 0.062 39.222 39.000 0.268 0.000 1.056 348 F HN 0.601 nan 8.300 nan 0.000 0.529 349 E N 0.378 120.694 120.200 0.193 0.000 2.031 349 E HA -0.275 4.076 4.350 0.000 0.000 0.193 349 E C 2.062 178.672 176.600 0.017 0.000 0.994 349 E CA 1.467 57.930 56.400 0.104 0.000 0.800 349 E CB -0.366 29.373 29.700 0.065 0.000 0.752 349 E HN 0.354 nan 8.360 nan 0.000 0.447 350 Q N -0.496 119.260 119.800 -0.073 0.000 2.226 350 Q HA -0.096 4.244 4.340 0.000 0.000 0.204 350 Q C 1.962 177.887 176.000 -0.125 0.000 0.975 350 Q CA 1.320 57.057 55.803 -0.111 0.000 0.866 350 Q CB -0.260 28.378 28.738 -0.167 0.000 0.915 350 Q HN 0.380 nan 8.270 nan 0.000 0.440 351 L N -0.584 120.529 121.223 -0.183 0.000 2.270 351 L HA 0.091 4.431 4.340 0.000 0.000 0.210 351 L C 1.365 178.238 176.870 0.005 0.000 1.104 351 L CA 1.542 56.288 54.840 -0.157 0.000 0.804 351 L CB -0.403 41.444 42.059 -0.353 0.000 0.937 351 L HN 0.215 nan 8.230 nan 0.000 0.450 352 N N -0.305 118.456 118.700 0.101 0.000 2.381 352 N HA -0.141 4.599 4.740 0.000 0.000 0.182 352 N C 1.184 176.748 175.510 0.091 0.000 1.025 352 N CA 0.991 54.142 53.050 0.168 0.000 0.888 352 N CB -0.029 38.587 38.487 0.214 0.000 0.965 352 N HN 0.607 nan 8.380 nan 0.000 0.438 353 N N 1.202 119.929 118.700 0.045 0.000 2.083 353 N HA -0.072 4.668 4.740 0.000 0.000 0.190 353 N C 1.987 177.506 175.510 0.016 0.000 1.047 353 N CA 0.795 53.858 53.050 0.022 0.000 0.845 353 N CB -0.138 38.347 38.487 -0.003 0.000 1.025 353 N HN 0.107 nan 8.380 nan 0.000 0.428 354 A N 2.307 125.125 122.820 -0.003 0.000 1.940 354 A HA -0.186 4.134 4.320 0.000 0.000 0.221 354 A C 2.269 179.860 177.584 0.012 0.000 1.190 354 A CA 1.340 53.376 52.037 -0.001 0.000 0.647 354 A CB -1.055 17.935 19.000 -0.016 0.000 0.821 354 A HN 0.217 nan 8.150 nan 0.000 0.457 355 L N -1.283 119.958 121.223 0.029 0.000 2.013 355 L HA -0.191 4.149 4.340 0.000 0.000 0.212 355 L C 2.100 178.983 176.870 0.021 0.000 1.073 355 L CA 1.493 56.351 54.840 0.029 0.000 0.753 355 L CB -0.467 41.653 42.059 0.102 0.000 0.890 355 L HN 0.362 nan 8.230 nan 0.000 0.432 356 R N 0.218 120.741 120.500 0.040 0.000 2.823 356 R HA 0.125 4.465 4.340 0.000 0.000 0.250 356 R C -0.668 175.648 176.300 0.027 0.000 1.332 356 R CA -0.171 55.953 56.100 0.040 0.000 1.259 356 R CB -0.293 30.035 30.300 0.047 0.000 1.225 356 R HN 0.146 nan 8.270 nan 0.000 0.545 357 V N 1.694 121.617 119.914 0.016 0.000 2.513 357 V HA 0.298 4.418 4.120 0.000 0.000 0.299 357 V C -2.048 174.054 176.094 0.012 0.000 1.035 357 V CA -2.762 59.548 62.300 0.017 0.000 0.889 357 V CB 1.660 33.495 31.823 0.020 0.000 0.988 357 V HN 0.072 nan 8.190 nan 0.000 0.440 358 P HA 0.235 nan 4.420 nan 0.000 0.271 358 P C -0.781 176.526 177.300 0.011 0.000 1.226 358 P CA 0.196 63.302 63.100 0.009 0.000 0.765 358 P CB 0.641 32.343 31.700 0.002 0.000 0.835 359 M N 2.161 121.777 119.600 0.026 0.000 2.777 359 M HA 0.479 4.960 4.480 0.000 0.000 0.307 359 M C -0.445 175.922 176.300 0.112 0.000 1.228 359 M CA -1.203 54.154 55.300 0.094 0.000 0.871 359 M CB 2.358 35.036 32.600 0.130 0.000 1.721 359 M HN -0.002 nan 8.290 nan 0.000 0.487 360 V N 1.877 121.863 119.914 0.121 0.000 2.604 360 V HA 0.378 4.498 4.120 0.000 0.000 0.305 360 V C -0.569 175.550 176.094 0.040 0.000 1.043 360 V CA -0.852 61.427 62.300 -0.035 0.000 0.888 360 V CB 2.143 33.798 31.823 -0.281 0.000 0.995 360 V HN 0.745 nan 8.190 nan 0.000 0.429 361 L N 6.317 127.533 121.223 -0.011 0.000 2.356 361 L HA 0.415 4.755 4.340 0.000 0.000 0.282 361 L C -0.059 176.553 176.870 -0.431 0.000 1.132 361 L CA 0.273 54.919 54.840 -0.322 0.000 0.923 361 L CB 0.328 42.314 42.059 -0.121 0.000 1.278 361 L HN 0.505 nan 8.230 nan 0.000 0.436 362 V N 4.937 124.503 119.914 -0.581 0.000 3.319 362 V HA 0.289 4.409 4.120 0.000 0.000 0.303 362 V C 0.480 176.184 176.094 -0.649 0.000 1.094 362 V CA -0.206 61.713 62.300 -0.635 0.000 1.106 362 V CB 1.232 32.487 31.823 -0.946 0.000 1.099 362 V HN 0.758 nan 8.190 nan 0.000 0.476 363 M N 2.694 121.995 119.600 -0.499 0.000 2.234 363 M HA 0.467 4.947 4.480 0.000 0.000 0.267 363 M C -0.845 175.511 176.300 0.093 0.000 1.022 363 M CA 0.065 55.142 55.300 -0.371 0.000 0.993 363 M CB 2.098 34.406 32.600 -0.487 0.000 1.836 363 M HN 0.778 nan 8.290 nan 0.000 0.479 364 S N 3.240 119.188 115.700 0.413 0.000 2.556 364 S HA 0.894 5.364 4.470 0.000 0.000 0.271 364 S C -1.950 173.023 174.600 0.622 0.000 1.135 364 S CA -0.660 57.803 58.200 0.439 0.000 0.858 364 S CB 2.209 65.573 63.200 0.273 0.000 1.114 364 S HN 0.707 nan 8.310 nan 0.000 0.468 365 I N 4.062 124.949 120.570 0.527 0.000 2.647 365 I HA 0.885 5.055 4.170 0.000 0.000 0.295 365 I C -1.317 175.228 176.117 0.713 0.000 1.078 365 I CA -0.202 61.415 61.300 0.528 0.000 1.048 365 I CB 1.624 39.815 38.000 0.318 0.000 1.239 365 I HN 0.912 nan 8.210 nan 0.000 0.421 366 W N 4.485 125.952 121.300 0.278 0.000 2.955 366 W HA 0.618 5.278 4.660 0.000 0.000 0.428 366 W C -2.103 174.582 176.519 0.277 0.000 1.041 366 W CA -0.863 56.702 57.345 0.368 0.000 1.220 366 W CB -0.189 29.496 29.460 0.376 0.000 1.459 366 W HN 0.524 nan 8.180 nan 0.000 0.618 367 D N 0.172 120.841 120.400 0.449 0.000 2.931 367 D HA 0.234 4.874 4.640 0.000 0.000 0.215 367 D C -1.834 174.654 176.300 0.313 0.000 1.297 367 D CA -0.216 53.864 54.000 0.132 0.000 0.892 367 D CB 1.788 42.743 40.800 0.258 0.000 1.642 367 D HN 0.125 nan 8.370 nan 0.000 0.560 368 D N 0.316 120.729 120.400 0.021 0.000 2.277 368 D HA 0.239 4.879 4.640 0.000 0.000 0.249 368 D C 0.286 176.759 176.300 0.288 0.000 1.134 368 D CA -0.102 54.088 54.000 0.317 0.000 0.863 368 D CB 0.756 41.686 40.800 0.217 0.000 1.143 368 D HN 0.341 nan 8.370 nan 0.000 0.458 369 H N 2.379 121.589 119.070 0.234 0.000 2.553 369 H HA 0.138 4.694 4.556 0.000 0.000 0.265 369 H C 0.401 175.719 175.328 -0.017 0.000 0.964 369 H CA 0.525 56.625 56.048 0.087 0.000 1.156 369 H CB 0.148 29.940 29.762 0.050 0.000 1.411 369 H HN 0.532 nan 8.280 nan 0.000 0.558 370 Y N -1.215 119.233 120.300 0.247 0.000 2.535 370 Y HA 0.415 4.965 4.550 0.000 0.000 0.266 370 Y C 1.904 177.882 175.900 0.129 0.000 1.088 370 Y CA 0.595 58.789 58.100 0.158 0.000 1.285 370 Y CB 0.907 39.431 38.460 0.105 0.000 1.166 370 Y HN 0.192 nan 8.280 nan 0.000 0.525 371 A N -0.854 122.131 122.820 0.275 0.000 2.600 371 A HA 0.206 4.526 4.320 0.000 0.000 0.252 371 A C 0.393 177.981 177.584 0.006 0.000 1.200 371 A CA 0.075 52.199 52.037 0.144 0.000 0.981 371 A CB -0.479 18.606 19.000 0.142 0.000 1.207 371 A HN 0.450 nan 8.150 nan 0.000 0.577 372 N N -1.289 117.424 118.700 0.023 0.000 2.708 372 N HA -0.268 4.472 4.740 0.000 0.000 0.249 372 N C 0.391 175.761 175.510 -0.233 0.000 1.097 372 N CA 0.508 53.508 53.050 -0.085 0.000 0.710 372 N CB -0.958 37.490 38.487 -0.065 0.000 1.032 372 N HN 0.520 nan 8.380 nan 0.000 0.551 373 M N -1.432 117.979 119.600 -0.314 0.000 2.762 373 M HA -0.240 4.240 4.480 0.000 0.000 0.190 373 M C 0.678 176.477 176.300 -0.836 0.000 0.586 373 M CA 0.742 55.594 55.300 -0.747 0.000 0.620 373 M CB -1.199 30.945 32.600 -0.759 0.000 2.269 373 M HN 0.455 nan 8.290 nan 0.000 0.563 374 L N -0.720 120.177 121.223 -0.543 0.000 2.187 374 L HA -0.194 4.146 4.340 0.000 0.000 0.213 374 L C 2.184 178.760 176.870 -0.489 0.000 1.100 374 L CA 1.955 56.531 54.840 -0.441 0.000 0.765 374 L CB -0.770 41.154 42.059 -0.224 0.000 0.904 374 L HN 0.809 nan 8.230 nan 0.000 0.437 375 W N -0.735 120.151 121.300 -0.690 0.000 2.525 375 W HA -0.102 4.558 4.660 0.000 0.000 0.259 375 W C 1.676 178.097 176.519 -0.164 0.000 1.253 375 W CA 0.318 57.429 57.345 -0.391 0.000 1.262 375 W CB -0.497 28.761 29.460 -0.338 0.000 1.122 375 W HN 0.210 nan 8.180 nan 0.000 0.607 376 L N 1.817 122.603 121.223 -0.728 0.000 2.445 376 L HA 0.104 4.445 4.340 0.000 0.000 0.207 376 L C 1.282 177.916 176.870 -0.393 0.000 1.053 376 L CA 1.738 56.230 54.840 -0.580 0.000 0.841 376 L CB -0.278 41.212 42.059 -0.949 0.000 1.074 376 L HN -0.173 nan 8.230 nan 0.000 0.479 377 D N -1.873 118.266 120.400 -0.435 0.000 2.535 377 D HA 0.265 4.905 4.640 0.000 0.000 0.229 377 D C 0.468 176.565 176.300 -0.338 0.000 1.238 377 D CA 0.132 53.921 54.000 -0.352 0.000 0.824 377 D CB 0.537 41.123 40.800 -0.356 0.000 1.045 377 D HN 0.135 nan 8.370 nan 0.000 0.500 378 S N -0.902 114.632 115.700 -0.277 0.000 3.287 378 S HA 0.506 4.976 4.470 0.000 0.000 0.324 378 S C -1.300 173.229 174.600 -0.118 0.000 1.205 378 S CA -0.800 57.271 58.200 -0.215 0.000 1.020 378 S CB 0.251 63.353 63.200 -0.164 0.000 1.398 378 S HN 0.076 nan 8.310 nan 0.000 0.679 379 I N 2.509 123.052 120.570 -0.046 0.000 2.311 379 I HA 0.283 4.453 4.170 0.000 0.000 0.297 379 I C -1.293 174.887 176.117 0.106 0.000 1.131 379 I CA 0.177 61.482 61.300 0.010 0.000 1.289 379 I CB -0.038 37.964 38.000 0.003 0.000 1.446 379 I HN 0.414 nan 8.210 nan 0.000 0.524 380 Y N 9.209 129.469 120.300 -0.066 0.000 2.406 380 Y HA 0.514 5.064 4.550 0.000 0.000 0.340 380 Y C -2.687 173.182 175.900 -0.051 0.000 0.975 380 Y CA -2.575 55.507 58.100 -0.030 0.000 1.056 380 Y CB 2.389 40.861 38.460 0.020 0.000 1.210 380 Y HN 0.304 nan 8.280 nan 0.000 0.448 381 P HA 0.363 nan 4.420 nan 0.000 0.287 381 P C -2.642 174.452 177.300 -0.344 0.000 1.270 381 P CA -2.256 60.283 63.100 -0.934 0.000 0.844 381 P CB 1.310 32.391 31.700 -1.032 0.000 1.068 382 P HA 0.153 nan 4.420 nan 0.000 0.253 382 P C 0.502 177.758 177.300 -0.073 0.000 1.508 382 P CA 0.414 63.472 63.100 -0.070 0.000 0.883 382 P CB -0.198 31.509 31.700 0.011 0.000 1.519 383 E N 0.011 120.139 120.200 -0.120 0.000 2.511 383 E HA -0.112 4.238 4.350 0.000 0.000 0.196 383 E C 1.252 177.815 176.600 -0.061 0.000 1.066 383 E CA 0.661 57.011 56.400 -0.084 0.000 0.871 383 E CB 0.266 29.905 29.700 -0.102 0.000 0.863 383 E HN 0.087 nan 8.360 nan 0.000 0.520 384 K N 0.268 120.631 120.400 -0.062 0.000 3.172 384 K HA -0.036 4.284 4.320 0.000 0.000 0.237 384 K C -1.253 175.327 176.600 -0.033 0.000 2.324 384 K CA 0.888 57.149 56.287 -0.042 0.000 1.521 384 K CB 0.047 32.520 32.500 -0.045 0.000 2.603 384 K HN 0.050 nan 8.250 nan 0.000 0.537 385 E N -0.736 119.438 120.200 -0.043 0.000 8.052 385 E HA -0.093 4.258 4.350 0.000 0.000 0.466 385 E C 0.250 176.848 176.600 -0.005 0.000 0.765 385 E CA 1.326 57.713 56.400 -0.023 0.000 1.332 385 E CB -1.243 28.451 29.700 -0.009 0.000 0.986 385 E HN 0.996 nan 8.360 nan 0.000 0.275 386 G N 2.914 111.723 108.800 0.014 0.000 2.192 386 G HA2 -0.197 3.763 3.960 0.000 0.000 0.193 386 G HA3 -0.197 3.763 3.960 0.000 0.000 0.193 386 G C -0.155 174.770 174.900 0.041 0.000 0.999 386 G CA 0.361 45.481 45.100 0.033 0.000 0.659 386 G HN 0.640 nan 8.290 nan 0.000 0.503 387 Q N 0.342 120.152 119.800 0.017 0.000 2.458 387 Q HA 0.625 4.965 4.340 0.000 0.000 0.282 387 Q C -2.784 173.185 176.000 -0.051 0.000 1.106 387 Q CA -2.294 53.501 55.803 -0.014 0.000 0.814 387 Q CB 2.269 30.971 28.738 -0.060 0.000 1.425 387 Q HN 0.180 nan 8.270 nan 0.000 0.437 388 P HA -0.011 nan 4.420 nan 0.000 0.269 388 P C 0.558 177.519 177.300 -0.566 0.000 1.209 388 P CA 0.958 63.739 63.100 -0.532 0.000 0.776 388 P CB 0.530 31.469 31.700 -1.268 0.000 0.876 389 G N 1.507 109.787 108.800 -0.866 0.000 2.304 389 G HA2 -0.384 3.576 3.960 0.000 0.000 0.252 389 G HA3 -0.384 3.576 3.960 0.000 0.000 0.252 389 G C 1.168 175.728 174.900 -0.566 0.000 1.014 389 G CA 0.980 45.188 45.100 -1.486 0.000 0.619 389 G HN 0.744 nan 8.290 nan 0.000 0.525 390 A N 1.332 123.963 122.820 -0.316 0.000 1.848 390 A HA 0.351 4.671 4.320 0.000 0.000 0.217 390 A C 2.324 179.866 177.584 -0.071 0.000 1.220 390 A CA 2.996 54.946 52.037 -0.146 0.000 0.645 390 A CB -1.236 17.718 19.000 -0.077 0.000 0.842 390 A HN 2.346 nan 8.150 nan 0.000 0.451 391 A N -2.238 120.577 122.820 -0.009 0.000 2.482 391 A HA 0.411 4.732 4.320 0.000 0.000 0.249 391 A C 1.158 178.717 177.584 -0.040 0.000 1.114 391 A CA 1.294 53.338 52.037 0.011 0.000 0.797 391 A CB 0.046 19.137 19.000 0.153 0.000 1.067 391 A HN 0.573 nan 8.150 nan 0.000 0.514 392 R N -1.879 118.516 120.500 -0.176 0.000 2.700 392 R HA 0.288 4.628 4.340 0.000 0.000 0.151 392 R C 0.549 176.567 176.300 -0.469 0.000 0.918 392 R CA 0.660 56.643 56.100 -0.195 0.000 1.891 392 R CB 0.692 30.898 30.300 -0.157 0.000 1.667 392 R HN 1.129 nan 8.270 nan 0.000 0.523 393 G N -0.939 107.311 108.800 -0.918 0.000 2.619 393 G HA2 0.173 4.133 3.960 0.000 0.000 0.305 393 G HA3 0.173 4.133 3.960 0.000 0.000 0.305 393 G C -1.145 173.122 174.900 -1.054 0.000 1.330 393 G CA -0.432 44.020 45.100 -1.081 0.000 0.789 393 G HN -0.047 nan 8.290 nan 0.000 0.487 394 D N -0.405 119.794 120.400 -0.334 0.000 2.328 394 D HA 0.117 4.757 4.640 0.000 0.000 0.226 394 D C 0.604 176.860 176.300 -0.073 0.000 1.066 394 D CA 0.344 54.337 54.000 -0.012 0.000 0.861 394 D CB 0.053 41.024 40.800 0.286 0.000 0.912 394 D HN 0.228 nan 8.370 nan 0.000 0.521 395 c N 1.649 120.102 118.600 -0.244 0.000 2.443 395 c HA 0.383 4.953 4.570 0.000 0.000 0.369 395 c C -1.823 172.143 174.090 -0.207 0.000 1.241 395 c CA -1.380 54.754 56.329 -0.324 0.000 2.413 395 c CB 1.230 43.449 42.510 -0.485 0.000 2.451 395 c HN 0.173 nan 8.230 nan 0.000 0.595 396 P HA 0.270 nan 4.420 nan 0.000 0.282 396 P C 0.470 177.709 177.300 -0.102 0.000 1.287 396 P CA -0.076 62.962 63.100 -0.102 0.000 0.792 396 P CB 0.389 32.047 31.700 -0.071 0.000 1.163 397 T N -1.884 112.635 114.554 -0.058 0.000 3.057 397 T HA -0.000 4.350 4.350 0.000 0.000 0.254 397 T C 0.408 175.092 174.700 -0.027 0.000 1.094 397 T CA 0.874 62.954 62.100 -0.033 0.000 1.088 397 T CB -0.845 68.019 68.868 -0.006 0.000 0.934 397 T HN 0.360 nan 8.240 nan 0.000 0.497 398 D N 1.107 121.487 120.400 -0.032 0.000 2.349 398 D HA 0.168 4.808 4.640 0.000 0.000 0.214 398 D C 0.927 177.206 176.300 -0.036 0.000 1.063 398 D CA -0.119 53.867 54.000 -0.024 0.000 0.847 398 D CB -0.152 40.639 40.800 -0.015 0.000 0.933 398 D HN 0.438 nan 8.370 nan 0.000 0.513 399 S N -0.933 114.729 115.700 -0.063 0.000 2.601 399 S HA 0.526 4.996 4.470 0.000 0.000 0.271 399 S C 1.374 175.907 174.600 -0.110 0.000 1.305 399 S CA 0.002 58.152 58.200 -0.084 0.000 1.022 399 S CB 1.484 64.604 63.200 -0.133 0.000 0.940 399 S HN 0.551 nan 8.310 nan 0.000 0.525 400 G N -0.028 108.703 108.800 -0.115 0.000 2.213 400 G HA2 -0.242 3.718 3.960 0.000 0.000 0.236 400 G HA3 -0.242 3.718 3.960 0.000 0.000 0.236 400 G C 0.026 174.868 174.900 -0.097 0.000 0.991 400 G CA -0.227 44.788 45.100 -0.142 0.000 0.629 400 G HN 1.537 nan 8.290 nan 0.000 0.517 401 V N 1.342 121.218 119.914 -0.063 0.000 2.420 401 V HA 0.162 4.282 4.120 0.000 0.000 0.274 401 V C -0.029 176.027 176.094 -0.063 0.000 1.003 401 V CA -0.068 62.196 62.300 -0.060 0.000 1.092 401 V CB 0.430 32.234 31.823 -0.031 0.000 1.002 401 V HN 0.121 nan 8.190 nan 0.000 0.473 402 P HA -0.292 nan 4.420 nan 0.000 0.217 402 P C 1.728 179.016 177.300 -0.021 0.000 1.162 402 P CA 2.477 65.471 63.100 -0.178 0.000 0.901 402 P CB 0.181 31.447 31.700 -0.724 0.000 0.793 403 A N -0.024 122.773 122.820 -0.039 0.000 1.849 403 A HA -0.320 4.001 4.320 0.000 0.000 0.216 403 A C 2.321 179.927 177.584 0.037 0.000 1.225 403 A CA 2.186 54.229 52.037 0.010 0.000 0.653 403 A CB -1.690 17.312 19.000 0.004 0.000 0.844 403 A HN 0.157 nan 8.150 nan 0.000 0.453 404 E N -0.422 119.794 120.200 0.027 0.000 2.147 404 E HA -0.209 4.141 4.350 0.000 0.000 0.199 404 E C 2.070 178.718 176.600 0.081 0.000 1.005 404 E CA 2.235 58.655 56.400 0.033 0.000 0.810 404 E CB -0.291 29.419 29.700 0.016 0.000 0.736 404 E HN 0.609 nan 8.360 nan 0.000 0.460 405 V N -2.072 117.920 119.914 0.130 0.000 2.719 405 V HA -0.062 4.058 4.120 0.000 0.000 0.252 405 V C 1.513 177.848 176.094 0.402 0.000 1.065 405 V CA 1.417 63.877 62.300 0.267 0.000 1.086 405 V CB -0.372 31.568 31.823 0.195 0.000 0.700 405 V HN 0.034 nan 8.190 nan 0.000 0.467 406 E N 0.656 121.020 120.200 0.273 0.000 2.512 406 E HA 0.323 4.673 4.350 0.000 0.000 0.195 406 E C 1.769 178.416 176.600 0.078 0.000 1.083 406 E CA 0.693 57.182 56.400 0.149 0.000 0.873 406 E CB 0.188 29.880 29.700 -0.013 0.000 0.897 406 E HN 0.773 nan 8.360 nan 0.000 0.514 407 A N 0.022 122.902 122.820 0.099 0.000 2.211 407 A HA 0.019 4.339 4.320 0.000 0.000 0.208 407 A C 1.855 179.433 177.584 -0.010 0.000 1.250 407 A CA -0.043 52.012 52.037 0.030 0.000 0.935 407 A CB 0.226 19.232 19.000 0.009 0.000 0.982 407 A HN 0.156 nan 8.150 nan 0.000 0.490 408 Q N -0.977 118.796 119.800 -0.044 0.000 2.259 408 Q HA 0.106 4.446 4.340 0.000 0.000 0.201 408 Q C -0.711 175.065 176.000 -0.373 0.000 0.938 408 Q CA 0.910 56.522 55.803 -0.318 0.000 0.872 408 Q CB 0.162 28.548 28.738 -0.588 0.000 0.971 408 Q HN 0.516 nan 8.270 nan 0.000 0.494 409 F N 0.336 120.349 119.950 0.105 0.000 2.794 409 F HA 0.438 4.965 4.527 0.000 0.000 0.353 409 F C -2.336 173.593 175.800 0.216 0.000 1.371 409 F CA -2.731 55.349 58.000 0.133 0.000 1.173 409 F CB 1.152 40.227 39.000 0.125 0.000 1.693 409 F HN -0.029 nan 8.300 nan 0.000 0.606 410 P HA 0.055 nan 4.420 nan 0.000 0.249 410 P C 0.199 177.596 177.300 0.161 0.000 1.229 410 P CA 0.730 63.920 63.100 0.150 0.000 0.788 410 P CB 0.666 32.380 31.700 0.023 0.000 1.072 411 D N -0.544 119.978 120.400 0.202 0.000 2.433 411 D HA 0.176 4.816 4.640 0.000 0.000 0.211 411 D C 0.937 177.337 176.300 0.166 0.000 1.114 411 D CA -0.084 54.007 54.000 0.151 0.000 0.837 411 D CB 0.640 41.502 40.800 0.104 0.000 0.984 411 D HN 0.057 nan 8.370 nan 0.000 0.505 412 A N 1.092 124.046 122.820 0.224 0.000 2.521 412 A HA 0.217 4.537 4.320 0.000 0.000 0.237 412 A C 0.223 177.880 177.584 0.121 0.000 1.087 412 A CA 0.541 52.664 52.037 0.144 0.000 0.777 412 A CB 0.212 19.264 19.000 0.086 0.000 1.035 412 A HN 0.148 nan 8.150 nan 0.000 0.510 413 Q N -1.186 118.628 119.800 0.023 0.000 2.527 413 Q HA 0.599 4.939 4.340 0.000 0.000 0.280 413 Q C -1.094 174.824 176.000 -0.136 0.000 0.977 413 Q CA -0.735 55.054 55.803 -0.023 0.000 0.837 413 Q CB 1.240 29.968 28.738 -0.017 0.000 1.454 413 Q HN 1.115 nan 8.270 nan 0.000 0.387 414 V N 1.130 120.892 119.914 -0.254 0.000 2.547 414 V HA 0.869 4.989 4.120 0.000 0.000 0.299 414 V C -0.999 174.779 176.094 -0.527 0.000 1.040 414 V CA -0.529 61.473 62.300 -0.496 0.000 0.913 414 V CB 1.742 33.016 31.823 -0.916 0.000 0.992 414 V HN 1.017 nan 8.190 nan 0.000 0.449 415 V N 6.326 125.968 119.914 -0.454 0.000 2.305 415 V HA 0.557 4.677 4.120 0.000 0.000 0.275 415 V C -0.799 175.204 176.094 -0.152 0.000 1.020 415 V CA -0.705 61.427 62.300 -0.279 0.000 0.811 415 V CB 0.673 32.408 31.823 -0.147 0.000 1.031 415 V HN 0.919 nan 8.190 nan 0.000 0.439 416 W N 4.875 126.133 121.300 -0.070 0.000 2.238 416 W HA 0.658 5.318 4.660 0.000 0.000 0.321 416 W C 0.638 177.120 176.519 -0.062 0.000 1.293 416 W CA 0.216 57.503 57.345 -0.096 0.000 1.204 416 W CB 1.444 30.799 29.460 -0.175 0.000 1.167 416 W HN 0.915 nan 8.180 nan 0.000 0.553 417 S N 0.572 116.423 115.700 0.251 0.000 2.688 417 S HA 0.154 4.624 4.470 0.000 0.000 0.269 417 S C -0.530 174.178 174.600 0.180 0.000 1.060 417 S CA -1.196 57.099 58.200 0.159 0.000 0.844 417 S CB 0.821 64.082 63.200 0.102 0.000 1.095 417 S HN 0.616 nan 8.310 nan 0.000 0.466 418 N N -0.346 118.441 118.700 0.145 0.000 2.735 418 N HA -0.146 4.595 4.740 0.000 0.000 0.248 418 N C -0.748 174.875 175.510 0.189 0.000 1.083 418 N CA 0.731 53.869 53.050 0.146 0.000 0.703 418 N CB -1.409 37.163 38.487 0.141 0.000 1.005 418 N HN 0.686 nan 8.380 nan 0.000 0.550 419 I N 0.940 121.635 120.570 0.209 0.000 2.618 419 I HA 0.033 4.203 4.170 0.000 0.000 0.284 419 I C 0.827 177.108 176.117 0.273 0.000 1.146 419 I CA 0.383 61.827 61.300 0.240 0.000 1.425 419 I CB 0.379 38.480 38.000 0.168 0.000 1.383 419 I HN 0.035 nan 8.210 nan 0.000 0.562 420 R N 6.698 127.341 120.500 0.239 0.000 2.807 420 R HA 0.652 4.993 4.340 0.000 0.000 0.276 420 R C -1.337 175.120 176.300 0.261 0.000 0.979 420 R CA -0.929 55.299 56.100 0.215 0.000 0.928 420 R CB 2.658 32.983 30.300 0.043 0.000 1.191 420 R HN 0.472 nan 8.270 nan 0.000 0.471 421 F N -0.726 119.297 119.950 0.122 0.000 2.665 421 F HA 0.604 5.131 4.527 0.000 0.000 0.308 421 F C -0.511 175.347 175.800 0.097 0.000 1.112 421 F CA 0.041 58.083 58.000 0.070 0.000 0.972 421 F CB 2.575 41.560 39.000 -0.025 0.000 1.295 421 F HN 0.758 nan 8.300 nan 0.000 0.440 422 G N 2.989 111.870 108.800 0.134 0.000 2.327 422 G HA2 0.347 4.308 3.960 0.000 0.000 0.291 422 G HA3 0.347 4.308 3.960 0.000 0.000 0.291 422 G C -3.364 171.551 174.900 0.026 0.000 1.290 422 G CA -0.898 44.322 45.100 0.201 0.000 0.857 422 G HN 0.390 nan 8.290 nan 0.000 0.520 423 P HA 0.205 nan 4.420 nan 0.000 0.270 423 P C 0.400 177.687 177.300 -0.021 0.000 1.221 423 P CA -0.152 62.967 63.100 0.032 0.000 0.788 423 P CB 0.365 32.092 31.700 0.045 0.000 0.904 424 I N 0.652 121.213 120.570 -0.016 0.000 2.683 424 I HA 0.063 4.233 4.170 0.000 0.000 0.286 424 I C 1.454 177.570 176.117 -0.003 0.000 1.175 424 I CA 0.789 62.071 61.300 -0.030 0.000 1.429 424 I CB -0.863 37.131 38.000 -0.011 0.000 1.371 424 I HN 0.705 nan 8.210 nan 0.000 0.569 425 G N 4.648 113.455 108.800 0.011 0.000 2.225 425 G HA2 -0.255 3.705 3.960 0.000 0.000 0.264 425 G HA3 -0.255 3.705 3.960 0.000 0.000 0.264 425 G C 0.454 175.377 174.900 0.038 0.000 1.060 425 G CA 0.494 45.629 45.100 0.058 0.000 0.833 425 G HN 0.849 nan 8.290 nan 0.000 0.498 426 S N -1.514 114.192 115.700 0.010 0.000 2.846 426 S HA 0.402 4.872 4.470 0.000 0.000 0.249 426 S C 1.500 176.074 174.600 -0.043 0.000 1.028 426 S CA 1.162 59.356 58.200 -0.010 0.000 1.043 426 S CB 0.464 63.663 63.200 -0.001 0.000 0.990 426 S HN 1.375 nan 8.310 nan 0.000 0.564 427 T N -2.026 112.495 114.554 -0.054 0.000 2.975 427 T HA 0.445 4.795 4.350 0.000 0.000 0.257 427 T C -0.084 174.348 174.700 -0.448 0.000 1.003 427 T CA -0.084 61.900 62.100 -0.193 0.000 0.932 427 T CB -0.069 68.714 68.868 -0.141 0.000 1.087 427 T HN 0.366 nan 8.240 nan 0.000 0.512 428 Y N -0.098 120.188 120.300 -0.023 0.000 2.625 428 Y HA 0.518 5.068 4.550 0.000 0.000 0.338 428 Y C -0.660 175.187 175.900 -0.088 0.000 1.123 428 Y CA -1.391 56.678 58.100 -0.052 0.000 1.046 428 Y CB 1.608 40.082 38.460 0.022 0.000 1.299 428 Y HN -0.095 nan 8.280 nan 0.000 0.464 429 D N 2.251 122.582 120.400 -0.114 0.000 3.139 429 D HA 0.291 4.931 4.640 0.000 0.000 0.268 429 D C -1.046 175.085 176.300 -0.282 0.000 1.322 429 D CA 0.533 54.413 54.000 -0.201 0.000 0.940 429 D CB -0.305 40.355 40.800 -0.233 0.000 1.050 429 D HN 0.305 nan 8.370 nan 0.000 0.503 430 F N 0.000 119.996 119.950 0.077 0.000 2.286 430 F HA 0.000 4.527 4.527 0.000 0.000 0.279 430 F CA 0.000 57.947 58.000 -0.088 0.000 1.383 430 F CB 0.000 38.915 39.000 -0.142 0.000 1.145 430 F HN 0.000 nan 8.300 nan 0.000 0.574