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 1uf2_1_B DATA FIRST_RESID 1 DATA SEQUENCE MDSTGRAYDG ASEFKSVLVT EGTSHYTPVE VYNILDELKT IKITSTIAEQ DATA SEQUENCE SVVSRTPIPL SKIGLQDVKK LFDINVIKCG SSLRIVDEPQ VTFIVSYAKD DATA SEQUENCE IYDKFMCIEH DSAYEPSLTM HRVRVIYSML NDYCAKMISE VPYESSFVGE DATA SEQUENCE LPVKSVTLNK LGDRNMDALA EHLLFEHDVV NAQRENRIFY QRKSAPAVPV DATA SEQUENCE IFGDDLEPAV RERANLYHRY SVPYHQIELA LHALANDLLS IQYCHPTVVY DATA SEQUENCE NYLSSRAPNF LRLDDQVSLK LTSAGIGTLM PRPVVQLLDY DLVYMSPLAL DATA SEQUENCE NNLASRLLRK ISLHLVMQMV TAVQQDLGEV VSVSSNVTNP ASACLVRMNV DATA SEQUENCE QGVQTLAVFI AQSMLNPNIS YGMISGLTLD CFSNFIYGAC LMLFQALIPP DATA SEQUENCE SALTARQRLD INNRFAYFLI KCHATQATTA RLVANQVIYP VDAIDQWQSN DATA SEQUENCE GRDVLVAIYN NLLPGELVLT NLIQTYFRGN TAQQAAEILI PADQTSYGAN DATA SEQUENCE ETRALSAPYL FGAPINMLAP DARLSTYKRD LALPDRSPIL ITTVEGQNSI DATA SEQUENCE SIENLRHKTG LIRAMYLNGF VTQPPAWIRN ANSNTALLSR FLDATPNLLG DATA SEQUENCE IYEAILANTY ANAVNVYCDS VYRADIPIEW KLHQSVDPQD LLFGVFGIVP DATA SEQUENCE QYQILNEAVP DFFAGGEDIL ILQLIRAVYD TLSNKLGRNP ADIFHLEEVF DATA SEQUENCE KVIEEIVSVL VQQKIDVRKY FTESMRSGSF SKPRWDNFLR RPVAQRLPNL DATA SEQUENCE YSVIMTQADH VYNYMTQLTH IIPITDCFYI VKNSGFVDRG STGPVIASSS DATA SEQUENCE VYENVLKVVH TIADFDAANA LRLQRRRVDN TSYTDSLSDM FNGLRSISSS DATA SEQUENCE EFVRSVNGRS VFTEGRIDAI KVNMRAKFDL QFITEEGGYS KPPNVKKLMF DATA SEQUENCE SDFLSFLDSH KSDYRPPLLT VPITIGLNNL GETNSNTLRM RSEAIDEYFS DATA SEQUENCE SYVGAQILVP INVVDTRVYT EFSELRNFFT GDVVIRDDPF DVWDGVKATY DATA SEQUENCE IPIGVHGVRL DPNGDQPPL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.340 176.300 0.067 0.000 1.140 1 M CA 0.000 55.338 55.300 0.063 0.000 0.988 1 M CB 0.000 32.663 32.600 0.106 0.000 1.302 2 D N -1.753 118.670 120.400 0.039 0.000 2.694 2 D HA 0.334 4.974 4.640 -0.000 0.000 0.260 2 D C -0.333 175.973 176.300 0.009 0.000 1.250 2 D CA 0.134 54.154 54.000 0.033 0.000 0.763 2 D CB 0.091 40.922 40.800 0.051 0.000 1.311 2 D HN -0.157 nan 8.370 nan 0.000 0.420 3 S N -0.347 115.357 115.700 0.008 0.000 2.504 3 S HA -0.155 4.315 4.470 -0.000 0.000 0.257 3 S C 1.449 176.043 174.600 -0.009 0.000 0.986 3 S CA 1.688 59.889 58.200 0.001 0.000 0.965 3 S CB -0.472 62.728 63.200 0.001 0.000 0.744 3 S HN 0.663 nan 8.310 nan 0.000 0.523 4 T N -0.307 114.236 114.554 -0.019 0.000 3.081 4 T HA 0.361 4.711 4.350 -0.000 0.000 0.255 4 T C 1.368 176.050 174.700 -0.029 0.000 1.113 4 T CA 1.140 63.221 62.100 -0.032 0.000 1.082 4 T CB -0.326 68.507 68.868 -0.057 0.000 0.939 4 T HN 0.641 nan 8.240 nan 0.000 0.506 5 G N 1.733 110.520 108.800 -0.021 0.000 4.492 5 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.265 5 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.265 5 G C 0.135 175.023 174.900 -0.020 0.000 1.702 5 G CA -0.148 44.942 45.100 -0.016 0.000 1.266 5 G HN 0.814 nan 8.290 nan 0.000 0.643 6 R N 1.696 122.176 120.500 -0.033 0.000 2.873 6 R HA 0.635 4.975 4.340 -0.000 0.000 0.267 6 R C 0.687 176.958 176.300 -0.048 0.000 1.009 6 R CA 0.828 56.905 56.100 -0.038 0.000 1.152 6 R CB 0.121 30.389 30.300 -0.053 0.000 1.047 6 R HN 1.487 nan 8.270 nan 0.000 0.470 7 A N 0.806 123.613 122.820 -0.023 0.000 2.717 7 A HA 0.369 4.689 4.320 -0.000 0.000 0.262 7 A C -0.797 176.773 177.584 -0.023 0.000 1.483 7 A CA -0.800 51.251 52.037 0.024 0.000 0.889 7 A CB 0.149 19.191 19.000 0.071 0.000 1.604 7 A HN 0.758 nan 8.150 nan 0.000 0.523 8 Y N 1.481 121.784 120.300 0.004 0.000 2.735 8 Y HA 0.141 4.691 4.550 -0.000 0.000 0.354 8 Y C 0.374 176.277 175.900 0.005 0.000 1.288 8 Y CA -0.357 57.745 58.100 0.004 0.000 1.836 8 Y CB -0.689 37.773 38.460 0.003 0.000 1.920 8 Y HN 0.761 nan 8.280 nan 0.000 0.438 9 D N -1.071 119.364 120.400 0.058 0.000 2.252 9 D HA 0.227 4.867 4.640 -0.000 0.000 0.289 9 D C 1.525 177.850 176.300 0.042 0.000 1.161 9 D CA -0.135 53.893 54.000 0.047 0.000 1.060 9 D CB -0.501 40.311 40.800 0.019 0.000 1.143 9 D HN 0.268 nan 8.370 nan 0.000 0.519 10 G N -1.032 107.783 108.800 0.026 0.000 2.335 10 G HA2 0.375 4.335 3.960 -0.000 0.000 0.285 10 G HA3 0.375 4.335 3.960 -0.000 0.000 0.285 10 G C -0.200 174.713 174.900 0.022 0.000 1.448 10 G CA 0.201 45.317 45.100 0.025 0.000 1.070 10 G HN 0.699 nan 8.290 nan 0.000 0.564 11 A N -1.110 121.722 122.820 0.021 0.000 2.306 11 A HA 0.626 4.946 4.320 -0.000 0.000 0.330 11 A C 0.401 177.997 177.584 0.019 0.000 1.146 11 A CA -0.139 51.912 52.037 0.022 0.000 0.827 11 A CB 0.966 19.984 19.000 0.030 0.000 1.178 11 A HN 1.114 nan 8.150 nan 0.000 0.490 12 S N 1.739 117.450 115.700 0.018 0.000 2.430 12 S HA 0.284 4.754 4.470 -0.000 0.000 0.282 12 S C -0.042 174.600 174.600 0.069 0.000 1.186 12 S CA -0.505 57.712 58.200 0.028 0.000 1.060 12 S CB 0.064 63.270 63.200 0.011 0.000 0.966 12 S HN 0.680 nan 8.310 nan 0.000 0.501 13 E N 2.583 122.823 120.200 0.066 0.000 2.003 13 E HA 0.163 4.513 4.350 -0.000 0.000 0.279 13 E C -0.850 175.833 176.600 0.139 0.000 1.132 13 E CA -0.657 55.789 56.400 0.077 0.000 0.888 13 E CB 0.151 29.875 29.700 0.039 0.000 1.056 13 E HN 0.550 nan 8.360 nan 0.000 0.399 14 F N 3.835 123.782 119.950 -0.005 0.000 2.421 14 F HA 0.292 4.819 4.527 -0.000 0.000 0.358 14 F C -0.689 175.109 175.800 -0.002 0.000 1.115 14 F CA -1.601 56.396 58.000 -0.004 0.000 1.160 14 F CB 0.641 39.639 39.000 -0.004 0.000 1.123 14 F HN 0.187 nan 8.300 nan 0.000 0.508 15 K N 4.135 124.536 120.400 0.001 0.000 2.262 15 K HA 0.224 4.544 4.320 -0.000 0.000 0.282 15 K C 0.960 177.393 176.600 -0.278 0.000 1.066 15 K CA 0.174 56.356 56.287 -0.174 0.000 0.901 15 K CB 0.909 33.402 32.500 -0.012 0.000 1.089 15 K HN 0.621 nan 8.250 nan 0.000 0.476 16 S N 1.079 116.493 115.700 -0.477 0.000 2.527 16 S HA -0.071 4.399 4.470 -0.000 0.000 0.222 16 S C 1.675 176.230 174.600 -0.075 0.000 0.985 16 S CA 0.120 58.132 58.200 -0.313 0.000 0.921 16 S CB -0.143 62.835 63.200 -0.370 0.000 0.772 16 S HN 0.301 nan 8.310 nan 0.000 0.529 17 V N 2.501 122.372 119.914 -0.072 0.000 2.469 17 V HA -0.155 3.965 4.120 -0.000 0.000 0.251 17 V C 2.331 178.434 176.094 0.015 0.000 1.064 17 V CA 1.684 63.970 62.300 -0.024 0.000 1.066 17 V CB -0.941 30.868 31.823 -0.024 0.000 0.667 17 V HN 0.551 nan 8.190 nan 0.000 0.461 18 L N -0.730 120.518 121.223 0.041 0.000 2.362 18 L HA -0.087 4.253 4.340 -0.000 0.000 0.219 18 L C 2.049 178.960 176.870 0.068 0.000 1.134 18 L CA 0.673 55.550 54.840 0.061 0.000 0.807 18 L CB -0.543 41.566 42.059 0.084 0.000 0.927 18 L HN 0.250 nan 8.230 nan 0.000 0.447 19 V N -2.162 117.799 119.914 0.079 0.000 2.627 19 V HA -0.084 4.036 4.120 -0.000 0.000 0.239 19 V C 2.154 178.280 176.094 0.054 0.000 1.077 19 V CA 1.226 63.570 62.300 0.073 0.000 1.103 19 V CB -0.408 31.477 31.823 0.103 0.000 0.802 19 V HN 0.260 nan 8.190 nan 0.000 0.482 20 T N 1.378 115.960 114.554 0.047 0.000 3.070 20 T HA -0.183 4.167 4.350 -0.000 0.000 0.270 20 T C 0.611 175.331 174.700 0.034 0.000 1.175 20 T CA 1.108 63.229 62.100 0.035 0.000 1.073 20 T CB -0.615 68.265 68.868 0.019 0.000 0.840 20 T HN 0.765 nan 8.240 nan 0.000 0.576 21 E N -0.091 120.131 120.200 0.037 0.000 2.145 21 E HA 0.472 4.822 4.350 -0.000 0.000 0.270 21 E C 0.906 177.531 176.600 0.043 0.000 0.906 21 E CA -0.273 56.149 56.400 0.036 0.000 0.761 21 E CB 0.963 30.680 29.700 0.029 0.000 1.116 21 E HN 0.058 nan 8.360 nan 0.000 0.408 22 G N 3.341 112.172 108.800 0.051 0.000 2.234 22 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.235 22 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.235 22 G C 0.981 175.923 174.900 0.070 0.000 0.997 22 G CA 0.473 45.608 45.100 0.059 0.000 0.623 22 G HN 0.577 nan 8.290 nan 0.000 0.514 23 T N 2.103 116.694 114.554 0.062 0.000 2.698 23 T HA 0.019 4.369 4.350 -0.000 0.000 0.260 23 T C 2.726 177.472 174.700 0.076 0.000 1.044 23 T CA 2.725 64.861 62.100 0.060 0.000 1.149 23 T CB -0.664 68.233 68.868 0.048 0.000 0.864 23 T HN 1.210 nan 8.240 nan 0.000 0.419 24 S N 1.842 117.590 115.700 0.080 0.000 2.506 24 S HA -0.248 4.222 4.470 -0.000 0.000 0.312 24 S C 0.929 175.625 174.600 0.160 0.000 1.079 24 S CA 1.187 59.448 58.200 0.102 0.000 1.755 24 S CB -1.069 62.186 63.200 0.091 0.000 1.371 24 S HN 0.639 nan 8.310 nan 0.000 0.430 25 H N 1.056 120.157 119.070 0.052 0.000 2.646 25 H HA 0.425 4.981 4.556 -0.000 0.000 0.325 25 H C -0.859 174.531 175.328 0.104 0.000 1.075 25 H CA -0.772 55.313 56.048 0.062 0.000 1.421 25 H CB 0.245 30.021 29.762 0.024 0.000 1.461 25 H HN 0.499 nan 8.280 nan 0.000 0.525 26 Y N 4.274 124.385 120.300 -0.315 0.000 2.404 26 Y HA 0.303 4.853 4.550 -0.000 0.000 0.344 26 Y C -0.793 174.913 175.900 -0.323 0.000 0.970 26 Y CA -0.727 57.235 58.100 -0.231 0.000 1.180 26 Y CB 0.460 38.826 38.460 -0.157 0.000 1.138 26 Y HN 0.586 nan 8.280 nan 0.000 0.510 27 T N 9.392 123.557 114.554 -0.648 0.000 2.756 27 T HA 0.326 4.676 4.350 -0.000 0.000 0.290 27 T C -2.581 171.641 174.700 -0.796 0.000 0.985 27 T CA -1.290 60.432 62.100 -0.630 0.000 0.955 27 T CB 0.902 69.621 68.868 -0.249 0.000 0.930 27 T HN 0.516 nan 8.240 nan 0.000 0.451 28 P HA 0.277 nan 4.420 nan 0.000 0.271 28 P C -0.922 176.239 177.300 -0.231 0.000 1.218 28 P CA -0.367 62.421 63.100 -0.519 0.000 0.780 28 P CB 0.805 32.312 31.700 -0.322 0.000 0.901 29 V N 2.761 122.608 119.914 -0.111 0.000 2.370 29 V HA 0.178 4.298 4.120 -0.000 0.000 0.283 29 V C 0.578 176.638 176.094 -0.057 0.000 1.023 29 V CA -0.534 61.720 62.300 -0.076 0.000 0.857 29 V CB 1.088 32.886 31.823 -0.040 0.000 0.985 29 V HN 0.526 nan 8.190 nan 0.000 0.443 30 E N 2.916 123.068 120.200 -0.080 0.000 2.383 30 E HA 0.319 4.669 4.350 -0.000 0.000 0.264 30 E C -0.236 176.319 176.600 -0.075 0.000 1.050 30 E CA 0.080 56.435 56.400 -0.076 0.000 0.896 30 E CB 1.315 30.957 29.700 -0.097 0.000 0.982 30 E HN 0.431 nan 8.360 nan 0.000 0.424 31 V N 4.258 124.151 119.914 -0.034 0.000 3.264 31 V HA -0.043 4.077 4.120 -0.000 0.000 0.304 31 V C 0.952 177.043 176.094 -0.005 0.000 1.086 31 V CA -0.032 62.278 62.300 0.016 0.000 1.090 31 V CB 0.374 32.234 31.823 0.062 0.000 1.112 31 V HN 0.753 nan 8.190 nan 0.000 0.472 32 Y N 1.855 122.160 120.300 0.008 0.000 2.060 32 Y HA -0.275 4.275 4.550 -0.000 0.000 0.276 32 Y C 2.448 178.354 175.900 0.009 0.000 1.127 32 Y CA 2.809 60.915 58.100 0.010 0.000 1.104 32 Y CB -0.673 37.797 38.460 0.016 0.000 0.983 32 Y HN 0.884 nan 8.280 nan 0.000 0.483 33 N N 0.210 119.032 118.700 0.203 0.000 2.018 33 N HA -0.252 4.488 4.740 -0.000 0.000 0.196 33 N C 1.673 177.227 175.510 0.073 0.000 1.043 33 N CA 2.249 55.376 53.050 0.129 0.000 0.856 33 N CB -1.051 37.509 38.487 0.122 0.000 1.042 33 N HN 0.316 nan 8.380 nan 0.000 0.423 34 I N 0.414 121.011 120.570 0.044 0.000 2.145 34 I HA -0.296 3.874 4.170 -0.000 0.000 0.244 34 I C 2.513 178.576 176.117 -0.089 0.000 1.075 34 I CA 1.223 62.500 61.300 -0.038 0.000 1.332 34 I CB -0.425 37.544 38.000 -0.052 0.000 1.033 34 I HN 0.268 nan 8.210 nan 0.000 0.410 35 L N 0.312 121.494 121.223 -0.068 0.000 1.989 35 L HA -0.305 4.035 4.340 -0.000 0.000 0.211 35 L C 2.526 179.362 176.870 -0.056 0.000 1.071 35 L CA 1.961 56.749 54.840 -0.088 0.000 0.749 35 L CB -0.658 41.331 42.059 -0.117 0.000 0.890 35 L HN 0.432 nan 8.230 nan 0.000 0.431 36 D N -0.218 120.178 120.400 -0.008 0.000 2.092 36 D HA -0.244 4.396 4.640 -0.000 0.000 0.193 36 D C 1.845 178.164 176.300 0.031 0.000 0.994 36 D CA 1.609 55.627 54.000 0.030 0.000 0.828 36 D CB 0.089 40.930 40.800 0.068 0.000 0.963 36 D HN 0.389 nan 8.370 nan 0.000 0.450 37 E N 0.205 120.425 120.200 0.032 0.000 2.086 37 E HA -0.188 4.162 4.350 -0.000 0.000 0.200 37 E C 2.451 179.021 176.600 -0.050 0.000 1.012 37 E CA 0.787 57.213 56.400 0.043 0.000 0.812 37 E CB -0.136 29.616 29.700 0.086 0.000 0.743 37 E HN 0.370 nan 8.360 nan 0.000 0.453 38 L N 0.599 121.734 121.223 -0.147 0.000 2.127 38 L HA -0.240 4.100 4.340 -0.000 0.000 0.211 38 L C 2.279 179.095 176.870 -0.090 0.000 1.089 38 L CA 1.304 56.039 54.840 -0.176 0.000 0.757 38 L CB -0.340 41.600 42.059 -0.198 0.000 0.899 38 L HN 0.115 nan 8.230 nan 0.000 0.434 39 K N -0.746 119.628 120.400 -0.043 0.000 2.044 39 K HA -0.065 4.255 4.320 -0.000 0.000 0.204 39 K C 2.055 178.643 176.600 -0.019 0.000 1.049 39 K CA 1.489 57.767 56.287 -0.016 0.000 0.945 39 K CB -0.267 32.251 32.500 0.029 0.000 0.724 39 K HN 0.143 nan 8.250 nan 0.000 0.440 40 T N 1.832 116.400 114.554 0.022 0.000 2.778 40 T HA -0.165 4.185 4.350 -0.000 0.000 0.269 40 T C 1.779 176.388 174.700 -0.151 0.000 1.050 40 T CA 1.227 63.306 62.100 -0.035 0.000 1.137 40 T CB -0.211 68.683 68.868 0.045 0.000 0.860 40 T HN 0.023 nan 8.240 nan 0.000 0.468 41 I N 1.052 121.575 120.570 -0.077 0.000 2.142 41 I HA -0.125 4.045 4.170 -0.000 0.000 0.240 41 I C 2.367 178.430 176.117 -0.090 0.000 1.078 41 I CA 1.428 62.690 61.300 -0.064 0.000 1.343 41 I CB -0.385 37.597 38.000 -0.029 0.000 1.046 41 I HN 0.134 nan 8.210 nan 0.000 0.405 42 K N 0.001 120.354 120.400 -0.079 0.000 2.063 42 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 42 K C 2.060 178.594 176.600 -0.110 0.000 1.048 42 K CA 1.344 57.589 56.287 -0.070 0.000 0.928 42 K CB -0.286 32.182 32.500 -0.054 0.000 0.713 42 K HN 0.240 nan 8.250 nan 0.000 0.442 43 I N 1.422 121.890 120.570 -0.170 0.000 2.076 43 I HA -0.275 3.895 4.170 -0.000 0.000 0.237 43 I C 2.801 178.747 176.117 -0.285 0.000 1.059 43 I CA 2.128 63.276 61.300 -0.253 0.000 1.317 43 I CB -2.020 35.736 38.000 -0.407 0.000 1.037 43 I HN 0.329 nan 8.210 nan 0.000 0.398 44 T N -1.361 112.981 114.554 -0.353 0.000 2.720 44 T HA -0.213 4.137 4.350 -0.000 0.000 0.268 44 T C 2.148 176.716 174.700 -0.220 0.000 1.037 44 T CA 1.939 63.830 62.100 -0.349 0.000 1.144 44 T CB -0.914 67.686 68.868 -0.447 0.000 0.864 44 T HN 0.298 nan 8.240 nan 0.000 0.444 45 S N 1.229 116.838 115.700 -0.153 0.000 2.372 45 S HA -0.226 4.244 4.470 -0.000 0.000 0.227 45 S C 2.191 176.778 174.600 -0.023 0.000 1.044 45 S CA 2.351 60.510 58.200 -0.068 0.000 1.050 45 S CB -1.330 61.869 63.200 -0.002 0.000 0.901 45 S HN 0.721 nan 8.310 nan 0.000 0.447 46 T N 2.283 116.815 114.554 -0.037 0.000 2.770 46 T HA 0.120 4.470 4.350 -0.000 0.000 0.263 46 T C 1.801 176.518 174.700 0.028 0.000 1.039 46 T CA 1.362 63.469 62.100 0.012 0.000 1.142 46 T CB -0.391 68.479 68.868 0.004 0.000 0.868 46 T HN 0.419 nan 8.240 nan 0.000 0.435 47 I N 1.541 122.067 120.570 -0.073 0.000 2.194 47 I HA -0.252 3.918 4.170 -0.000 0.000 0.246 47 I C 2.909 179.067 176.117 0.068 0.000 1.093 47 I CA 1.277 62.538 61.300 -0.064 0.000 1.355 47 I CB -0.496 37.238 38.000 -0.444 0.000 1.046 47 I HN 0.215 nan 8.210 nan 0.000 0.413 48 A N 0.340 123.131 122.820 -0.048 0.000 1.898 48 A HA -0.262 4.058 4.320 -0.000 0.000 0.216 48 A C 2.316 179.954 177.584 0.091 0.000 1.181 48 A CA 1.883 53.878 52.037 -0.070 0.000 0.620 48 A CB -0.633 18.149 19.000 -0.362 0.000 0.819 48 A HN 0.526 nan 8.150 nan 0.000 0.442 49 E N -0.170 120.131 120.200 0.168 0.000 2.110 49 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 49 E C 1.908 178.574 176.600 0.111 0.000 0.988 49 E CA 1.419 57.958 56.400 0.231 0.000 0.804 49 E CB -0.157 29.664 29.700 0.201 0.000 0.745 49 E HN 0.769 nan 8.360 nan 0.000 0.458 50 Q N -0.088 119.761 119.800 0.083 0.000 2.424 50 Q HA -0.011 4.329 4.340 -0.000 0.000 0.204 50 Q C 2.162 177.954 176.000 -0.347 0.000 0.933 50 Q CA 0.790 56.577 55.803 -0.028 0.000 0.929 50 Q CB 0.449 29.264 28.738 0.128 0.000 1.037 50 Q HN 0.291 nan 8.270 nan 0.000 0.511 51 S N -0.361 115.197 115.700 -0.236 0.000 2.423 51 S HA -0.025 4.445 4.470 -0.000 0.000 0.231 51 S C 1.006 175.479 174.600 -0.212 0.000 1.014 51 S CA 0.113 58.090 58.200 -0.372 0.000 0.965 51 S CB -0.135 63.085 63.200 0.034 0.000 0.785 51 S HN 0.035 nan 8.310 nan 0.000 0.495 52 V N 2.083 121.958 119.914 -0.065 0.000 2.439 52 V HA 0.547 4.667 4.120 -0.000 0.000 0.282 52 V C -0.332 175.755 176.094 -0.012 0.000 1.039 52 V CA -0.686 61.628 62.300 0.023 0.000 0.913 52 V CB 1.469 33.369 31.823 0.129 0.000 0.983 52 V HN 0.289 nan 8.190 nan 0.000 0.460 53 V N 4.003 123.914 119.914 -0.006 0.000 2.531 53 V HA 0.568 4.688 4.120 -0.000 0.000 0.301 53 V C -0.154 175.935 176.094 -0.009 0.000 1.034 53 V CA -0.424 61.867 62.300 -0.015 0.000 0.865 53 V CB 2.245 34.052 31.823 -0.028 0.000 0.995 53 V HN 0.976 nan 8.190 nan 0.000 0.424 54 S N 5.065 120.763 115.700 -0.002 0.000 2.718 54 S HA 0.758 5.228 4.470 -0.000 0.000 0.294 54 S C -0.662 173.932 174.600 -0.010 0.000 1.157 54 S CA -0.850 57.346 58.200 -0.006 0.000 1.121 54 S CB 1.262 64.476 63.200 0.024 0.000 1.015 54 S HN 0.765 nan 8.310 nan 0.000 0.479 55 R N 1.138 121.613 120.500 -0.043 0.000 2.837 55 R HA 0.617 4.957 4.340 -0.000 0.000 0.271 55 R C -1.296 174.947 176.300 -0.095 0.000 0.993 55 R CA -0.513 55.557 56.100 -0.049 0.000 0.931 55 R CB 1.852 32.117 30.300 -0.059 0.000 1.206 55 R HN 0.593 nan 8.270 nan 0.000 0.474 56 T N 4.088 118.591 114.554 -0.085 0.000 2.743 56 T HA 0.222 4.572 4.350 -0.000 0.000 0.292 56 T C -1.955 172.660 174.700 -0.143 0.000 0.972 56 T CA -1.408 60.601 62.100 -0.151 0.000 0.967 56 T CB 1.590 70.407 68.868 -0.085 0.000 0.926 56 T HN 0.438 nan 8.240 nan 0.000 0.459 57 P HA 0.040 nan 4.420 nan 0.000 0.212 57 P C -0.014 177.222 177.300 -0.106 0.000 1.178 57 P CA 0.987 63.988 63.100 -0.166 0.000 0.915 57 P CB 0.192 31.781 31.700 -0.185 0.000 0.788 58 I N -0.174 120.335 120.570 -0.103 0.000 2.495 58 I HA 0.261 4.431 4.170 -0.000 0.000 0.277 58 I C -2.464 173.644 176.117 -0.015 0.000 1.045 58 I CA -2.523 58.747 61.300 -0.049 0.000 1.135 58 I CB 1.859 39.831 38.000 -0.047 0.000 1.241 58 I HN -0.111 nan 8.210 nan 0.000 0.469 59 P HA 0.137 nan 4.420 nan 0.000 0.271 59 P C -1.057 176.287 177.300 0.074 0.000 1.220 59 P CA -0.216 62.933 63.100 0.082 0.000 0.768 59 P CB 0.888 32.632 31.700 0.074 0.000 0.848 60 L N 1.897 123.185 121.223 0.109 0.000 2.325 60 L HA 0.640 4.980 4.340 -0.000 0.000 0.279 60 L C 0.672 177.578 176.870 0.061 0.000 1.054 60 L CA -0.659 54.227 54.840 0.076 0.000 0.804 60 L CB 0.500 42.612 42.059 0.088 0.000 1.200 60 L HN 0.339 nan 8.230 nan 0.000 0.436 61 S N 0.022 115.745 115.700 0.038 0.000 2.578 61 S HA 0.709 5.179 4.470 -0.000 0.000 0.301 61 S C -0.298 174.307 174.600 0.010 0.000 1.091 61 S CA -1.107 57.108 58.200 0.024 0.000 1.032 61 S CB 1.429 64.637 63.200 0.014 0.000 1.064 61 S HN 0.571 nan 8.310 nan 0.000 0.508 62 K N 0.865 121.267 120.400 0.003 0.000 2.107 62 K HA 0.632 4.952 4.320 -0.000 0.000 0.251 62 K C -0.475 176.099 176.600 -0.043 0.000 1.012 62 K CA -0.602 55.675 56.287 -0.015 0.000 0.920 62 K CB 0.636 33.132 32.500 -0.007 0.000 1.033 62 K HN 0.696 nan 8.250 nan 0.000 0.478 63 I N -0.925 119.600 120.570 -0.074 0.000 2.842 63 I HA 0.298 4.468 4.170 -0.000 0.000 0.296 63 I C -1.097 174.947 176.117 -0.122 0.000 1.538 63 I CA -0.561 60.678 61.300 -0.102 0.000 0.994 63 I CB 2.017 39.922 38.000 -0.159 0.000 1.372 63 I HN 0.736 nan 8.210 nan 0.000 0.478 64 G N 3.781 112.518 108.800 -0.105 0.000 2.451 64 G HA2 0.408 4.368 3.960 -0.000 0.000 0.303 64 G HA3 0.408 4.368 3.960 -0.000 0.000 0.303 64 G C 0.287 175.102 174.900 -0.141 0.000 1.166 64 G CA -0.543 44.494 45.100 -0.106 0.000 0.884 64 G HN 0.701 nan 8.290 nan 0.000 0.514 65 L N 0.596 121.725 121.223 -0.157 0.000 2.013 65 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 65 L C 3.119 179.891 176.870 -0.165 0.000 1.073 65 L CA 2.608 57.315 54.840 -0.222 0.000 0.753 65 L CB -0.491 41.450 42.059 -0.196 0.000 0.890 65 L HN 0.732 nan 8.230 nan 0.000 0.432 66 Q N -1.223 118.561 119.800 -0.028 0.000 2.152 66 Q HA -0.262 4.078 4.340 -0.000 0.000 0.206 66 Q C 1.248 177.289 176.000 0.069 0.000 0.985 66 Q CA 1.991 57.839 55.803 0.076 0.000 0.863 66 Q CB -1.132 27.641 28.738 0.060 0.000 0.904 66 Q HN 0.573 nan 8.270 nan 0.000 0.422 67 D N 1.210 121.611 120.400 0.001 0.000 2.371 67 D HA 0.069 4.709 4.640 -0.000 0.000 0.234 67 D C 0.093 176.411 176.300 0.029 0.000 1.049 67 D CA 0.102 54.109 54.000 0.012 0.000 0.907 67 D CB 0.183 40.969 40.800 -0.023 0.000 0.891 67 D HN 0.049 nan 8.370 nan 0.000 0.531 68 V N 1.461 121.383 119.914 0.013 0.000 2.637 68 V HA -0.017 4.103 4.120 -0.000 0.000 0.296 68 V C 1.031 177.263 176.094 0.231 0.000 1.046 68 V CA -0.434 61.927 62.300 0.101 0.000 1.066 68 V CB 1.297 33.087 31.823 -0.055 0.000 0.968 68 V HN -0.115 nan 8.190 nan 0.000 0.483 69 K N 4.604 125.164 120.400 0.266 0.000 2.363 69 K HA 0.150 4.470 4.320 -0.000 0.000 0.289 69 K C 0.055 176.790 176.600 0.224 0.000 1.063 69 K CA -0.024 56.380 56.287 0.194 0.000 0.967 69 K CB 0.288 32.868 32.500 0.135 0.000 0.987 69 K HN 0.578 nan 8.250 nan 0.000 0.473 70 K N 3.758 124.293 120.400 0.225 0.000 2.298 70 K HA 0.120 4.440 4.320 -0.000 0.000 0.280 70 K C 1.002 177.709 176.600 0.178 0.000 1.032 70 K CA -0.097 56.354 56.287 0.274 0.000 0.958 70 K CB 0.806 33.439 32.500 0.222 0.000 0.978 70 K HN 0.438 nan 8.250 nan 0.000 0.472 71 L N 2.351 123.725 121.223 0.251 0.000 2.731 71 L HA 0.265 4.605 4.340 -0.000 0.000 0.240 71 L C -0.365 176.439 176.870 -0.110 0.000 1.120 71 L CA -0.043 54.803 54.840 0.011 0.000 0.913 71 L CB 0.231 42.238 42.059 -0.086 0.000 1.213 71 L HN 0.476 nan 8.230 nan 0.000 0.515 72 F N -0.859 119.288 119.950 0.328 0.000 2.563 72 F HA 0.476 5.003 4.527 -0.000 0.000 0.316 72 F C -0.133 175.807 175.800 0.233 0.000 1.076 72 F CA -1.001 57.210 58.000 0.352 0.000 0.921 72 F CB 1.589 40.930 39.000 0.569 0.000 1.209 72 F HN -0.241 nan 8.300 nan 0.000 0.462 73 D N 2.121 122.753 120.400 0.387 0.000 2.342 73 D HA 0.578 5.218 4.640 -0.000 0.000 0.243 73 D C -0.721 175.709 176.300 0.216 0.000 1.019 73 D CA -0.127 54.011 54.000 0.231 0.000 0.864 73 D CB 2.465 43.382 40.800 0.195 0.000 1.315 73 D HN 0.310 nan 8.370 nan 0.000 0.468 74 I N 1.978 122.618 120.570 0.116 0.000 2.447 74 I HA 0.280 4.450 4.170 -0.000 0.000 0.287 74 I C -0.627 175.520 176.117 0.051 0.000 1.023 74 I CA -0.723 60.636 61.300 0.100 0.000 1.083 74 I CB 1.538 39.563 38.000 0.041 0.000 1.245 74 I HN 0.068 nan 8.210 nan 0.000 0.434 75 N N 4.693 123.396 118.700 0.005 0.000 2.319 75 N HA 0.666 5.406 4.740 -0.000 0.000 0.305 75 N C -1.203 174.209 175.510 -0.162 0.000 1.103 75 N CA -0.626 52.369 53.050 -0.091 0.000 0.815 75 N CB 2.801 41.185 38.487 -0.171 0.000 1.288 75 N HN 0.157 nan 8.380 nan 0.000 0.493 76 V N 2.077 121.828 119.914 -0.272 0.000 2.604 76 V HA 0.627 4.747 4.120 -0.000 0.000 0.305 76 V C -0.264 175.615 176.094 -0.358 0.000 1.043 76 V CA -0.731 61.291 62.300 -0.464 0.000 0.888 76 V CB 1.062 32.440 31.823 -0.741 0.000 0.995 76 V HN 0.648 nan 8.190 nan 0.000 0.429 77 I N 1.016 121.381 120.570 -0.342 0.000 2.894 77 I HA 0.670 4.840 4.170 -0.000 0.000 0.302 77 I C -0.972 175.028 176.117 -0.196 0.000 1.188 77 I CA -1.042 60.127 61.300 -0.218 0.000 1.014 77 I CB 2.663 40.562 38.000 -0.168 0.000 1.242 77 I HN 0.415 nan 8.210 nan 0.000 0.430 78 K N 4.172 124.495 120.400 -0.127 0.000 2.404 78 K HA 0.472 4.792 4.320 -0.000 0.000 0.257 78 K C -1.250 175.311 176.600 -0.064 0.000 1.026 78 K CA -0.537 55.692 56.287 -0.097 0.000 0.951 78 K CB 1.272 33.725 32.500 -0.077 0.000 1.203 78 K HN 0.603 nan 8.250 nan 0.000 0.446 79 C N 2.873 122.139 119.300 -0.056 0.000 2.555 79 C HA 0.357 4.817 4.460 -0.000 0.000 0.385 79 C C 1.329 176.310 174.990 -0.016 0.000 1.296 79 C CA -0.497 58.502 59.018 -0.030 0.000 1.757 79 C CB -0.612 27.112 27.740 -0.026 0.000 2.445 79 C HN 1.000 nan 8.230 nan 0.000 0.571 80 G N 2.032 110.829 108.800 -0.006 0.000 3.175 80 G HA2 0.751 4.711 3.960 -0.000 0.000 0.153 80 G HA3 0.751 4.711 3.960 -0.000 0.000 0.153 80 G C -0.862 174.046 174.900 0.013 0.000 1.216 80 G CA -0.175 44.926 45.100 0.002 0.000 0.943 80 G HN 0.789 nan 8.290 nan 0.000 0.611 81 S N -1.731 113.981 115.700 0.020 0.000 2.535 81 S HA 0.454 4.924 4.470 -0.000 0.000 0.272 81 S C -0.211 174.415 174.600 0.044 0.000 1.149 81 S CA 0.227 58.444 58.200 0.028 0.000 0.888 81 S CB 1.351 64.561 63.200 0.017 0.000 1.110 81 S HN 1.253 nan 8.310 nan 0.000 0.463 82 S N 4.474 120.211 115.700 0.062 0.000 2.526 82 S HA 0.386 4.856 4.470 -0.000 0.000 0.247 82 S C 0.438 175.068 174.600 0.050 0.000 1.076 82 S CA -0.494 57.761 58.200 0.091 0.000 1.105 82 S CB 0.178 63.481 63.200 0.172 0.000 0.793 82 S HN 0.588 nan 8.310 nan 0.000 0.458 83 L N 1.157 122.398 121.223 0.030 0.000 3.383 83 L HA 0.542 4.882 4.340 -0.000 0.000 0.169 83 L C 0.343 177.221 176.870 0.014 0.000 1.161 83 L CA 0.629 55.477 54.840 0.014 0.000 0.847 83 L CB -0.295 41.766 42.059 0.003 0.000 1.514 83 L HN 0.522 nan 8.230 nan 0.000 0.582 84 R N 0.557 121.064 120.500 0.013 0.000 2.549 84 R HA 0.454 4.794 4.340 -0.000 0.000 0.259 84 R C -0.154 176.156 176.300 0.016 0.000 1.095 84 R CA -0.342 55.766 56.100 0.013 0.000 1.148 84 R CB 0.502 30.808 30.300 0.011 0.000 1.181 84 R HN 0.212 nan 8.270 nan 0.000 0.571 85 I N 2.178 122.757 120.570 0.016 0.000 2.321 85 I HA 0.398 4.568 4.170 -0.000 0.000 0.291 85 I C -1.155 174.973 176.117 0.018 0.000 0.998 85 I CA -0.756 60.554 61.300 0.017 0.000 1.227 85 I CB 1.410 39.420 38.000 0.016 0.000 1.368 85 I HN 0.527 nan 8.210 nan 0.000 0.466 86 V N 7.693 127.617 119.914 0.017 0.000 2.680 86 V HA 0.462 4.582 4.120 -0.000 0.000 0.309 86 V C -0.095 176.011 176.094 0.019 0.000 1.052 86 V CA -0.457 61.855 62.300 0.020 0.000 0.908 86 V CB 2.205 34.040 31.823 0.020 0.000 1.001 86 V HN 0.812 nan 8.190 nan 0.000 0.431 87 D N 2.864 123.282 120.400 0.029 0.000 2.407 87 D HA 0.160 4.800 4.640 -0.000 0.000 0.208 87 D C 0.194 176.515 176.300 0.036 0.000 1.083 87 D CA 0.126 54.145 54.000 0.031 0.000 0.844 87 D CB 0.347 41.175 40.800 0.047 0.000 0.967 87 D HN 0.504 nan 8.370 nan 0.000 0.506 88 E N 2.250 122.479 120.200 0.048 0.000 2.989 88 E HA 0.182 4.532 4.350 -0.000 0.000 0.224 88 E C -2.222 174.392 176.600 0.023 0.000 1.175 88 E CA -1.518 54.919 56.400 0.061 0.000 1.300 88 E CB 0.576 30.343 29.700 0.113 0.000 1.422 88 E HN 0.327 nan 8.360 nan 0.000 0.439 89 P HA -0.035 nan 4.420 nan 0.000 0.267 89 P C 0.018 177.306 177.300 -0.020 0.000 1.200 89 P CA -0.073 63.015 63.100 -0.020 0.000 0.772 89 P CB 0.991 32.668 31.700 -0.039 0.000 0.855 90 Q N 1.743 121.535 119.800 -0.013 0.000 2.402 90 Q HA 0.169 4.509 4.340 -0.000 0.000 0.238 90 Q C -0.347 175.631 176.000 -0.037 0.000 1.126 90 Q CA -0.348 55.452 55.803 -0.004 0.000 0.904 90 Q CB 0.242 28.983 28.738 0.005 0.000 1.357 90 Q HN 0.250 nan 8.270 nan 0.000 0.491 91 V N 3.880 123.770 119.914 -0.040 0.000 2.458 91 V HA 0.029 4.149 4.120 -0.000 0.000 0.287 91 V C 0.644 176.660 176.094 -0.129 0.000 1.009 91 V CA 0.556 62.788 62.300 -0.113 0.000 1.091 91 V CB 0.213 31.996 31.823 -0.066 0.000 0.960 91 V HN 0.557 nan 8.190 nan 0.000 0.476 92 T N 5.991 120.395 114.554 -0.251 0.000 2.885 92 T HA 0.676 5.026 4.350 -0.000 0.000 0.285 92 T C -0.707 173.752 174.700 -0.402 0.000 1.019 92 T CA -0.192 61.802 62.100 -0.177 0.000 1.010 92 T CB 1.164 69.973 68.868 -0.098 0.000 1.022 92 T HN 0.298 nan 8.240 nan 0.000 0.466 93 F N 2.645 122.596 119.950 0.003 0.000 2.427 93 F HA 0.511 5.038 4.527 -0.000 0.000 0.348 93 F C -0.047 175.722 175.800 -0.053 0.000 1.125 93 F CA -1.136 56.862 58.000 -0.004 0.000 0.989 93 F CB 1.018 40.060 39.000 0.071 0.000 1.165 93 F HN 0.205 nan 8.300 nan 0.000 0.442 94 I N 4.935 125.512 120.570 0.012 0.000 2.312 94 I HA 0.307 4.477 4.170 -0.000 0.000 0.290 94 I C -0.319 175.791 176.117 -0.012 0.000 1.008 94 I CA -0.707 60.542 61.300 -0.085 0.000 1.226 94 I CB 1.179 39.027 38.000 -0.254 0.000 1.371 94 I HN 0.169 nan 8.210 nan 0.000 0.468 95 V N 6.547 126.451 119.914 -0.016 0.000 2.370 95 V HA 0.509 4.629 4.120 -0.000 0.000 0.279 95 V C 0.323 176.442 176.094 0.041 0.000 1.029 95 V CA -0.282 62.064 62.300 0.077 0.000 0.870 95 V CB 1.535 33.372 31.823 0.024 0.000 0.984 95 V HN 0.933 nan 8.190 nan 0.000 0.451 96 S N 3.722 119.517 115.700 0.158 0.000 2.599 96 S HA 0.737 5.207 4.470 -0.000 0.000 0.287 96 S C -0.869 173.808 174.600 0.127 0.000 1.105 96 S CA -0.891 57.381 58.200 0.119 0.000 0.899 96 S CB 1.098 64.490 63.200 0.320 0.000 1.100 96 S HN 0.415 nan 8.310 nan 0.000 0.482 97 Y N 0.791 121.176 120.300 0.141 0.000 2.385 97 Y HA 0.440 4.990 4.550 -0.000 0.000 0.346 97 Y C 1.352 177.255 175.900 0.005 0.000 1.270 97 Y CA 0.035 58.105 58.100 -0.050 0.000 1.472 97 Y CB 0.412 38.814 38.460 -0.096 0.000 1.354 97 Y HN 0.994 nan 8.280 nan 0.000 0.611 98 A N 1.848 124.744 122.820 0.126 0.000 2.250 98 A HA 0.255 4.575 4.320 -0.000 0.000 0.283 98 A C 1.024 178.633 177.584 0.043 0.000 1.206 98 A CA -0.434 51.653 52.037 0.084 0.000 0.840 98 A CB 0.497 19.525 19.000 0.047 0.000 1.220 98 A HN 0.762 nan 8.150 nan 0.000 0.505 99 K N -0.028 120.387 120.400 0.024 0.000 2.057 99 K HA 0.005 4.325 4.320 -0.000 0.000 0.209 99 K C 0.186 176.769 176.600 -0.027 0.000 1.028 99 K CA 1.110 57.395 56.287 -0.004 0.000 0.950 99 K CB -0.763 31.742 32.500 0.008 0.000 0.784 99 K HN 0.847 nan 8.250 nan 0.000 0.448 100 D N 1.635 122.024 120.400 -0.018 0.000 2.398 100 D HA 0.055 4.695 4.640 -0.000 0.000 0.250 100 D C -0.688 175.567 176.300 -0.074 0.000 1.287 100 D CA 0.126 54.113 54.000 -0.023 0.000 0.992 100 D CB -0.357 40.443 40.800 0.001 0.000 1.071 100 D HN 0.081 nan 8.370 nan 0.000 0.514 101 I N 5.040 125.559 120.570 -0.084 0.000 2.412 101 I HA 0.131 4.301 4.170 -0.000 0.000 0.279 101 I C -0.324 175.770 176.117 -0.037 0.000 1.063 101 I CA -0.957 60.236 61.300 -0.178 0.000 1.193 101 I CB 0.161 38.072 38.000 -0.148 0.000 1.370 101 I HN 0.489 nan 8.210 nan 0.000 0.479 102 Y N 3.508 123.876 120.300 0.113 0.000 2.980 102 Y HA -0.300 4.250 4.550 -0.000 0.000 0.199 102 Y C 1.283 177.300 175.900 0.196 0.000 1.319 102 Y CA -0.224 57.990 58.100 0.190 0.000 0.877 102 Y CB -1.218 37.364 38.460 0.202 0.000 1.259 102 Y HN 0.620 nan 8.280 nan 0.000 0.437 103 D N 0.695 121.240 120.400 0.243 0.000 2.144 103 D HA -0.139 4.501 4.640 -0.000 0.000 0.199 103 D C 1.770 178.202 176.300 0.221 0.000 0.984 103 D CA 1.395 55.500 54.000 0.176 0.000 0.834 103 D CB 0.085 40.948 40.800 0.104 0.000 0.955 103 D HN 0.591 nan 8.370 nan 0.000 0.465 104 K N -0.180 120.386 120.400 0.276 0.000 2.103 104 K HA -0.161 4.159 4.320 -0.000 0.000 0.207 104 K C 2.019 178.831 176.600 0.352 0.000 1.048 104 K CA 0.784 57.249 56.287 0.296 0.000 0.930 104 K CB -0.180 32.498 32.500 0.297 0.000 0.716 104 K HN 0.149 nan 8.250 nan 0.000 0.444 105 F N 0.398 120.466 119.950 0.197 0.000 2.270 105 F HA -0.008 4.519 4.527 -0.000 0.000 0.295 105 F C 2.060 177.927 175.800 0.112 0.000 1.087 105 F CA 0.767 58.817 58.000 0.084 0.000 1.365 105 F CB 0.137 39.094 39.000 -0.071 0.000 1.056 105 F HN -0.143 nan 8.300 nan 0.000 0.506 106 M N -0.070 119.602 119.600 0.120 0.000 2.155 106 M HA 0.070 4.550 4.480 -0.000 0.000 0.258 106 M C 0.569 176.844 176.300 -0.041 0.000 1.092 106 M CA 0.971 56.264 55.300 -0.012 0.000 1.153 106 M CB -0.301 32.349 32.600 0.084 0.000 1.316 106 M HN -0.024 nan 8.290 nan 0.000 0.431 107 C N 0.580 119.885 119.300 0.009 0.000 2.466 107 C HA 0.576 5.036 4.460 -0.000 0.000 0.379 107 C C 0.494 175.451 174.990 -0.055 0.000 1.251 107 C CA -1.374 57.627 59.018 -0.028 0.000 2.263 107 C CB -0.086 27.642 27.740 -0.020 0.000 2.511 107 C HN 0.475 nan 8.230 nan 0.000 0.573 108 I N 1.111 121.611 120.570 -0.117 0.000 2.846 108 I HA 0.337 4.507 4.170 -0.000 0.000 0.307 108 I C 0.410 176.467 176.117 -0.099 0.000 1.053 108 I CA -0.434 60.737 61.300 -0.215 0.000 1.050 108 I CB 2.025 39.829 38.000 -0.327 0.000 1.239 108 I HN 0.703 nan 8.210 nan 0.000 0.439 109 E N 2.096 122.260 120.200 -0.061 0.000 2.021 109 E HA -0.086 4.264 4.350 -0.000 0.000 0.189 109 E C 1.243 177.838 176.600 -0.008 0.000 0.980 109 E CA 1.635 58.042 56.400 0.011 0.000 0.803 109 E CB -0.166 29.599 29.700 0.107 0.000 0.766 109 E HN 0.624 nan 8.360 nan 0.000 0.449 110 H N 0.444 119.484 119.070 -0.051 0.000 2.275 110 H HA 0.105 4.661 4.556 -0.000 0.000 0.315 110 H C 0.518 175.820 175.328 -0.043 0.000 1.058 110 H CA 1.211 57.239 56.048 -0.032 0.000 1.387 110 H CB -0.185 29.571 29.762 -0.010 0.000 1.435 110 H HN -0.003 nan 8.280 nan 0.000 0.530 111 D N 1.097 121.565 120.400 0.113 0.000 2.644 111 D HA -0.012 4.628 4.640 -0.000 0.000 0.252 111 D C 1.017 177.330 176.300 0.021 0.000 1.254 111 D CA 0.186 54.225 54.000 0.065 0.000 0.884 111 D CB -0.209 40.689 40.800 0.164 0.000 1.034 111 D HN 0.235 nan 8.370 nan 0.000 0.473 112 S N 1.013 116.688 115.700 -0.041 0.000 2.642 112 S HA -0.326 4.144 4.470 -0.000 0.000 0.330 112 S C 1.576 176.158 174.600 -0.030 0.000 1.309 112 S CA 2.038 60.203 58.200 -0.057 0.000 1.141 112 S CB -0.013 63.130 63.200 -0.094 0.000 1.210 112 S HN 0.609 nan 8.310 nan 0.000 0.440 113 A N -1.110 121.699 122.820 -0.018 0.000 2.631 113 A HA 0.466 4.786 4.320 -0.000 0.000 0.294 113 A C -0.240 177.408 177.584 0.108 0.000 1.156 113 A CA -0.375 51.675 52.037 0.021 0.000 0.963 113 A CB 0.172 19.174 19.000 0.004 0.000 1.202 113 A HN 0.397 nan 8.150 nan 0.000 0.523 114 Y N 1.176 121.454 120.300 -0.037 0.000 2.518 114 Y HA 0.414 4.964 4.550 -0.000 0.000 0.344 114 Y C 1.171 177.074 175.900 0.004 0.000 0.982 114 Y CA -1.248 56.842 58.100 -0.015 0.000 1.234 114 Y CB 0.626 39.083 38.460 -0.006 0.000 1.114 114 Y HN 0.506 nan 8.280 nan 0.000 0.515 115 E N 5.836 125.966 120.200 -0.117 0.000 2.055 115 E HA -0.231 4.119 4.350 -0.000 0.000 0.209 115 E C -1.028 175.429 176.600 -0.237 0.000 1.036 115 E CA 2.769 59.072 56.400 -0.162 0.000 0.849 115 E CB -0.809 28.809 29.700 -0.137 0.000 0.767 115 E HN 0.580 nan 8.360 nan 0.000 0.461 116 P HA -0.191 nan 4.420 nan 0.000 0.217 116 P C 1.412 178.732 177.300 0.034 0.000 1.162 116 P CA 2.269 65.181 63.100 -0.314 0.000 0.901 116 P CB -0.115 31.141 31.700 -0.741 0.000 0.793 117 S N -1.157 114.593 115.700 0.083 0.000 2.383 117 S HA -0.138 4.332 4.470 -0.000 0.000 0.229 117 S C 1.804 176.475 174.600 0.118 0.000 1.030 117 S CA 1.079 59.440 58.200 0.269 0.000 1.002 117 S CB -1.074 62.334 63.200 0.346 0.000 0.829 117 S HN 0.086 nan 8.310 nan 0.000 0.467 118 L N 0.535 121.785 121.223 0.045 0.000 2.005 118 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 118 L C 2.725 179.608 176.870 0.022 0.000 1.072 118 L CA 1.301 56.148 54.840 0.012 0.000 0.744 118 L CB -1.423 40.609 42.059 -0.045 0.000 0.895 118 L HN 0.277 nan 8.230 nan 0.000 0.433 119 T N -0.035 114.531 114.554 0.019 0.000 2.570 119 T HA -0.274 4.076 4.350 -0.000 0.000 0.266 119 T C 2.007 176.714 174.700 0.013 0.000 1.071 119 T CA 1.644 63.774 62.100 0.050 0.000 1.172 119 T CB -0.215 68.678 68.868 0.042 0.000 0.864 119 T HN 0.141 nan 8.240 nan 0.000 0.421 120 M N 0.382 119.989 119.600 0.012 0.000 2.151 120 M HA -0.218 4.262 4.480 -0.000 0.000 0.256 120 M C 2.230 178.526 176.300 -0.007 0.000 1.072 120 M CA 2.081 57.355 55.300 -0.044 0.000 1.090 120 M CB -1.318 31.213 32.600 -0.114 0.000 1.294 120 M HN 0.429 nan 8.290 nan 0.000 0.415 121 H N 0.209 119.241 119.070 -0.064 0.000 2.265 121 H HA -0.139 4.417 4.556 -0.000 0.000 0.295 121 H C 2.104 177.402 175.328 -0.050 0.000 1.084 121 H CA 2.549 58.564 56.048 -0.054 0.000 1.261 121 H CB -0.119 29.608 29.762 -0.059 0.000 1.360 121 H HN 0.284 nan 8.280 nan 0.000 0.487 122 R N -0.514 119.895 120.500 -0.150 0.000 2.096 122 R HA -0.136 4.204 4.340 -0.000 0.000 0.240 122 R C 2.571 178.918 176.300 0.078 0.000 1.139 122 R CA 1.599 57.558 56.100 -0.235 0.000 0.952 122 R CB -0.579 29.500 30.300 -0.369 0.000 0.854 122 R HN 0.213 nan 8.270 nan 0.000 0.436 123 V N 1.222 121.152 119.914 0.026 0.000 2.287 123 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 123 V C 2.608 178.785 176.094 0.138 0.000 1.053 123 V CA 2.017 64.338 62.300 0.034 0.000 1.027 123 V CB -0.653 31.115 31.823 -0.091 0.000 0.646 123 V HN 0.379 nan 8.190 nan 0.000 0.447 124 R N 0.255 120.777 120.500 0.037 0.000 2.097 124 R HA -0.181 4.159 4.340 -0.000 0.000 0.236 124 R C 2.228 178.571 176.300 0.071 0.000 1.135 124 R CA 2.448 58.578 56.100 0.050 0.000 0.934 124 R CB -0.690 29.594 30.300 -0.026 0.000 0.846 124 R HN 0.394 nan 8.270 nan 0.000 0.431 125 V N 1.984 121.866 119.914 -0.053 0.000 2.278 125 V HA -0.311 3.809 4.120 -0.000 0.000 0.251 125 V C 2.604 178.779 176.094 0.136 0.000 1.062 125 V CA 2.272 64.583 62.300 0.017 0.000 1.038 125 V CB -0.532 31.274 31.823 -0.028 0.000 0.646 125 V HN 0.355 nan 8.190 nan 0.000 0.447 126 I N -1.230 119.392 120.570 0.087 0.000 2.151 126 I HA -0.317 3.853 4.170 -0.000 0.000 0.243 126 I C 2.487 178.596 176.117 -0.013 0.000 1.080 126 I CA 2.185 63.477 61.300 -0.014 0.000 1.339 126 I CB -0.512 37.404 38.000 -0.139 0.000 1.039 126 I HN 0.276 nan 8.210 nan 0.000 0.409 127 Y N 1.047 121.378 120.300 0.051 0.000 2.242 127 Y HA -0.254 4.295 4.550 -0.000 0.000 0.291 127 Y C 3.053 178.989 175.900 0.060 0.000 1.137 127 Y CA 1.726 59.854 58.100 0.047 0.000 1.181 127 Y CB -0.583 37.891 38.460 0.023 0.000 0.989 127 Y HN 0.280 nan 8.280 nan 0.000 0.527 128 S N 0.062 115.882 115.700 0.201 0.000 2.355 128 S HA -0.185 4.285 4.470 -0.000 0.000 0.222 128 S C 1.482 176.153 174.600 0.118 0.000 1.031 128 S CA 1.260 59.544 58.200 0.140 0.000 0.993 128 S CB -0.541 62.727 63.200 0.113 0.000 0.859 128 S HN 0.432 nan 8.310 nan 0.000 0.453 129 M N 2.020 121.707 119.600 0.144 0.000 2.853 129 M HA 0.319 4.799 4.480 -0.000 0.000 0.274 129 M C 1.195 177.549 176.300 0.091 0.000 1.289 129 M CA -0.220 55.139 55.300 0.099 0.000 1.031 129 M CB 0.212 32.871 32.600 0.099 0.000 1.352 129 M HN 0.254 nan 8.290 nan 0.000 0.485 130 L N 1.502 122.773 121.223 0.080 0.000 2.030 130 L HA -0.346 3.994 4.340 -0.000 0.000 0.222 130 L C 2.184 179.061 176.870 0.013 0.000 1.082 130 L CA 2.213 57.071 54.840 0.030 0.000 0.785 130 L CB -0.848 41.228 42.059 0.028 0.000 0.895 130 L HN 0.633 nan 8.230 nan 0.000 0.439 131 N N 0.127 118.828 118.700 0.002 0.000 2.004 131 N HA -0.244 4.496 4.740 -0.000 0.000 0.196 131 N C 1.396 176.877 175.510 -0.049 0.000 1.064 131 N CA 2.171 55.212 53.050 -0.015 0.000 0.855 131 N CB -0.315 38.166 38.487 -0.010 0.000 1.056 131 N HN 0.372 nan 8.380 nan 0.000 0.423 132 D N -0.500 119.830 120.400 -0.118 0.000 2.220 132 D HA -0.203 4.437 4.640 -0.000 0.000 0.198 132 D C 1.716 177.848 176.300 -0.281 0.000 1.001 132 D CA 1.253 55.120 54.000 -0.221 0.000 0.875 132 D CB -0.345 40.239 40.800 -0.360 0.000 0.921 132 D HN 0.550 nan 8.370 nan 0.000 0.454 133 Y N -0.309 119.949 120.300 -0.069 0.000 2.397 133 Y HA -0.016 4.534 4.550 -0.000 0.000 0.292 133 Y C 2.168 177.980 175.900 -0.145 0.000 1.115 133 Y CA 0.499 58.510 58.100 -0.148 0.000 1.208 133 Y CB 0.367 38.699 38.460 -0.214 0.000 1.046 133 Y HN 0.079 nan 8.280 nan 0.000 0.552 134 C N -2.013 117.306 119.300 0.031 0.000 2.859 134 C HA 0.853 5.313 4.460 -0.000 0.000 0.256 134 C C 1.174 176.162 174.990 -0.003 0.000 1.660 134 C CA -0.215 58.796 59.018 -0.012 0.000 1.755 134 C CB -0.746 26.973 27.740 -0.036 0.000 3.127 134 C HN 0.315 nan 8.230 nan 0.000 0.494 135 A N -0.134 122.696 122.820 0.016 0.000 2.733 135 A HA 0.314 4.634 4.320 -0.000 0.000 0.232 135 A C 0.200 177.810 177.584 0.044 0.000 1.251 135 A CA -0.095 51.958 52.037 0.027 0.000 1.015 135 A CB -0.004 19.006 19.000 0.017 0.000 1.291 135 A HN 0.437 nan 8.150 nan 0.000 0.595 136 K N 1.052 121.497 120.400 0.075 0.000 2.273 136 K HA 0.423 4.743 4.320 -0.000 0.000 0.287 136 K C -0.641 176.008 176.600 0.082 0.000 1.089 136 K CA 0.134 56.463 56.287 0.070 0.000 0.909 136 K CB 0.670 33.237 32.500 0.112 0.000 1.123 136 K HN 0.496 nan 8.250 nan 0.000 0.473 137 M N 5.495 125.097 119.600 0.004 0.000 2.205 137 M HA 0.330 4.810 4.480 -0.000 0.000 0.344 137 M C -0.601 175.647 176.300 -0.087 0.000 1.085 137 M CA -0.680 54.618 55.300 -0.004 0.000 1.001 137 M CB 0.776 33.398 32.600 0.038 0.000 1.626 137 M HN 0.476 nan 8.290 nan 0.000 0.442 138 I N 3.825 124.317 120.570 -0.130 0.000 2.618 138 I HA 0.010 4.180 4.170 -0.000 0.000 0.284 138 I C 0.846 176.913 176.117 -0.083 0.000 1.146 138 I CA 0.304 61.504 61.300 -0.166 0.000 1.425 138 I CB 0.986 38.885 38.000 -0.169 0.000 1.383 138 I HN 0.895 nan 8.210 nan 0.000 0.562 139 S N 4.122 119.767 115.700 -0.093 0.000 2.893 139 S HA 0.218 4.688 4.470 -0.000 0.000 0.258 139 S C -0.043 174.508 174.600 -0.082 0.000 1.034 139 S CA -0.496 57.671 58.200 -0.055 0.000 1.167 139 S CB 0.347 63.533 63.200 -0.024 0.000 1.137 139 S HN 0.767 nan 8.310 nan 0.000 0.650 140 E N 0.925 121.047 120.200 -0.131 0.000 2.367 140 E HA 0.422 4.772 4.350 -0.000 0.000 0.292 140 E C -1.924 174.563 176.600 -0.188 0.000 0.900 140 E CA -0.393 55.926 56.400 -0.136 0.000 0.807 140 E CB 2.077 31.733 29.700 -0.074 0.000 1.337 140 E HN 0.183 nan 8.360 nan 0.000 0.394 141 V N 5.112 124.838 119.914 -0.313 0.000 2.435 141 V HA 0.434 4.554 4.120 -0.000 0.000 0.290 141 V C -2.258 173.823 176.094 -0.022 0.000 1.030 141 V CA -1.870 60.258 62.300 -0.287 0.000 0.881 141 V CB 1.655 33.065 31.823 -0.688 0.000 0.983 141 V HN 0.621 nan 8.190 nan 0.000 0.445 142 P HA 0.380 nan 4.420 nan 0.000 0.282 142 P C -1.459 175.988 177.300 0.245 0.000 1.262 142 P CA 0.051 63.214 63.100 0.105 0.000 0.773 142 P CB 0.160 31.888 31.700 0.047 0.000 0.879 143 Y N 0.359 120.703 120.300 0.073 0.000 2.615 143 Y HA 0.775 5.325 4.550 -0.000 0.000 0.341 143 Y C -0.680 175.246 175.900 0.044 0.000 1.089 143 Y CA -1.318 56.836 58.100 0.091 0.000 1.049 143 Y CB 1.861 40.413 38.460 0.154 0.000 1.296 143 Y HN 0.449 nan 8.280 nan 0.000 0.470 144 E N 0.299 120.575 120.200 0.128 0.000 2.433 144 E HA 0.633 4.983 4.350 -0.000 0.000 0.278 144 E C -1.569 175.072 176.600 0.068 0.000 0.976 144 E CA -1.300 55.104 56.400 0.007 0.000 0.793 144 E CB 1.989 31.689 29.700 -0.001 0.000 1.311 144 E HN 0.511 nan 8.360 nan 0.000 0.460 145 S N 0.724 116.430 115.700 0.010 0.000 2.537 145 S HA 0.559 5.029 4.470 -0.000 0.000 0.275 145 S C -0.442 174.128 174.600 -0.051 0.000 1.272 145 S CA -0.165 58.013 58.200 -0.036 0.000 1.050 145 S CB 0.800 63.961 63.200 -0.065 0.000 0.961 145 S HN 0.610 nan 8.310 nan 0.000 0.496 146 S N 1.987 117.610 115.700 -0.127 0.000 2.752 146 S HA 0.827 5.297 4.470 -0.000 0.000 0.284 146 S C -1.445 173.006 174.600 -0.248 0.000 1.189 146 S CA -0.850 57.317 58.200 -0.055 0.000 0.835 146 S CB 0.576 63.805 63.200 0.049 0.000 1.192 146 S HN 0.393 nan 8.310 nan 0.000 0.506 147 F N -0.645 119.324 119.950 0.033 0.000 2.618 147 F HA 0.811 5.338 4.527 -0.000 0.000 0.332 147 F C -0.427 175.389 175.800 0.028 0.000 1.061 147 F CA -0.877 57.139 58.000 0.026 0.000 0.974 147 F CB 2.373 41.385 39.000 0.020 0.000 1.310 147 F HN 0.437 nan 8.300 nan 0.000 0.491 148 V N 1.875 121.930 119.914 0.235 0.000 2.763 148 V HA 0.575 4.695 4.120 -0.000 0.000 0.257 148 V C 0.103 176.275 176.094 0.129 0.000 0.906 148 V CA -0.017 62.364 62.300 0.135 0.000 0.894 148 V CB 0.327 32.195 31.823 0.074 0.000 1.052 148 V HN 1.200 nan 8.190 nan 0.000 0.491 149 G N 4.124 112.998 108.800 0.123 0.000 2.481 149 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.230 149 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.230 149 G C 0.123 175.087 174.900 0.108 0.000 1.210 149 G CA 0.343 45.492 45.100 0.082 0.000 0.936 149 G HN 0.574 nan 8.290 nan 0.000 0.583 150 E N -0.108 120.149 120.200 0.094 0.000 2.394 150 E HA 0.413 4.763 4.350 -0.000 0.000 0.191 150 E C 0.340 177.101 176.600 0.268 0.000 1.044 150 E CA -0.232 56.233 56.400 0.109 0.000 0.939 150 E CB 0.517 30.238 29.700 0.034 0.000 1.089 150 E HN 0.441 nan 8.360 nan 0.000 0.456 151 L N 2.275 123.658 121.223 0.268 0.000 2.265 151 L HA 0.382 4.722 4.340 -0.000 0.000 0.289 151 L C -2.561 174.383 176.870 0.123 0.000 1.033 151 L CA -2.496 52.452 54.840 0.180 0.000 0.814 151 L CB 0.576 42.682 42.059 0.079 0.000 1.203 151 L HN -0.159 nan 8.230 nan 0.000 0.423 152 P HA 0.269 nan 4.420 nan 0.000 0.275 152 P C -1.176 175.964 177.300 -0.266 0.000 1.228 152 P CA -0.135 62.655 63.100 -0.517 0.000 0.786 152 P CB 2.090 33.505 31.700 -0.475 0.000 0.927 153 V N 1.867 121.610 119.914 -0.286 0.000 3.264 153 V HA 0.391 4.511 4.120 -0.000 0.000 0.294 153 V C -1.743 174.285 176.094 -0.110 0.000 1.429 153 V CA -0.930 61.283 62.300 -0.145 0.000 1.053 153 V CB 2.528 34.298 31.823 -0.088 0.000 1.128 153 V HN 0.418 nan 8.190 nan 0.000 0.452 154 K N 3.118 123.483 120.400 -0.058 0.000 2.389 154 K HA 0.603 4.923 4.320 -0.000 0.000 0.261 154 K C -0.385 176.239 176.600 0.041 0.000 1.014 154 K CA -0.171 56.127 56.287 0.018 0.000 0.920 154 K CB 1.558 34.070 32.500 0.019 0.000 1.149 154 K HN 0.899 nan 8.250 nan 0.000 0.444 155 S N 0.623 116.381 115.700 0.097 0.000 2.654 155 S HA 0.388 4.858 4.470 -0.000 0.000 0.283 155 S C 0.241 174.965 174.600 0.207 0.000 1.180 155 S CA -0.856 57.424 58.200 0.134 0.000 1.021 155 S CB 1.308 64.581 63.200 0.121 0.000 1.018 155 S HN 0.178 nan 8.310 nan 0.000 0.532 156 V N 2.743 122.797 119.914 0.232 0.000 2.508 156 V HA 0.182 4.302 4.120 -0.000 0.000 0.281 156 V C 0.568 176.765 176.094 0.170 0.000 1.041 156 V CA -0.436 62.012 62.300 0.245 0.000 1.016 156 V CB 0.617 32.592 31.823 0.254 0.000 0.984 156 V HN 1.034 nan 8.190 nan 0.000 0.478 157 T N 7.335 121.977 114.554 0.148 0.000 3.121 157 T HA 0.141 4.491 4.350 -0.000 0.000 0.256 157 T C 1.438 176.175 174.700 0.062 0.000 0.942 157 T CA 0.018 62.172 62.100 0.090 0.000 1.158 157 T CB -0.286 68.619 68.868 0.062 0.000 0.963 157 T HN 0.445 nan 8.240 nan 0.000 0.660 158 L N 2.360 123.612 121.223 0.048 0.000 2.083 158 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 158 L C 2.653 179.527 176.870 0.007 0.000 1.083 158 L CA 0.987 55.829 54.840 0.004 0.000 0.752 158 L CB -0.480 41.571 42.059 -0.013 0.000 0.899 158 L HN 0.678 nan 8.230 nan 0.000 0.433 159 N N 0.349 119.062 118.700 0.021 0.000 2.609 159 N HA -0.182 4.558 4.740 -0.000 0.000 0.190 159 N C 1.131 176.651 175.510 0.017 0.000 1.157 159 N CA 0.744 53.804 53.050 0.017 0.000 0.918 159 N CB -0.087 38.412 38.487 0.020 0.000 0.978 159 N HN 0.455 nan 8.380 nan 0.000 0.448 160 K N 0.274 120.687 120.400 0.022 0.000 2.358 160 K HA 0.260 4.580 4.320 -0.000 0.000 0.197 160 K C 0.867 177.488 176.600 0.034 0.000 1.025 160 K CA -0.037 56.265 56.287 0.025 0.000 1.104 160 K CB 0.449 32.964 32.500 0.024 0.000 0.855 160 K HN 0.191 nan 8.250 nan 0.000 0.531 161 L N -0.054 121.187 121.223 0.030 0.000 2.741 161 L HA 0.202 4.542 4.340 -0.000 0.000 0.237 161 L C 1.403 178.277 176.870 0.006 0.000 1.178 161 L CA -0.261 54.604 54.840 0.042 0.000 0.973 161 L CB -0.273 41.812 42.059 0.044 0.000 1.255 161 L HN 0.210 nan 8.230 nan 0.000 0.498 162 G N 1.532 110.338 108.800 0.009 0.000 2.713 162 G HA2 -0.534 3.426 3.960 -0.000 0.000 0.368 162 G HA3 -0.534 3.426 3.960 -0.000 0.000 0.368 162 G C 0.825 175.716 174.900 -0.015 0.000 1.095 162 G CA 1.553 46.656 45.100 0.005 0.000 0.935 162 G HN 0.432 nan 8.290 nan 0.000 0.696 163 D N -0.103 120.284 120.400 -0.022 0.000 2.158 163 D HA -0.072 4.568 4.640 -0.000 0.000 0.197 163 D C 2.241 178.471 176.300 -0.116 0.000 0.995 163 D CA 1.262 55.234 54.000 -0.047 0.000 0.846 163 D CB 0.039 40.815 40.800 -0.040 0.000 0.941 163 D HN 0.221 nan 8.370 nan 0.000 0.456 164 R N 0.451 120.844 120.500 -0.178 0.000 2.586 164 R HA 0.127 4.467 4.340 -0.000 0.000 0.306 164 R C -0.324 175.854 176.300 -0.204 0.000 1.079 164 R CA -0.170 55.756 56.100 -0.290 0.000 1.083 164 R CB -1.246 28.755 30.300 -0.498 0.000 1.306 164 R HN 0.282 nan 8.270 nan 0.000 0.567 165 N N 1.481 120.120 118.700 -0.101 0.000 2.549 165 N HA -0.024 4.716 4.740 -0.000 0.000 0.267 165 N C 1.090 176.593 175.510 -0.012 0.000 1.182 165 N CA -0.280 52.738 53.050 -0.054 0.000 1.019 165 N CB 0.434 38.915 38.487 -0.010 0.000 1.380 165 N HN -0.176 nan 8.380 nan 0.000 0.505 166 M N 1.116 120.693 119.600 -0.038 0.000 2.195 166 M HA -0.179 4.301 4.480 -0.000 0.000 0.260 166 M C 1.076 177.495 176.300 0.198 0.000 1.066 166 M CA 1.251 56.621 55.300 0.117 0.000 1.089 166 M CB -0.787 31.893 32.600 0.132 0.000 1.377 166 M HN 0.533 nan 8.290 nan 0.000 0.411 167 D N 0.417 120.877 120.400 0.100 0.000 2.097 167 D HA -0.048 4.592 4.640 -0.000 0.000 0.195 167 D C 2.042 178.364 176.300 0.036 0.000 0.989 167 D CA 1.811 55.848 54.000 0.063 0.000 0.827 167 D CB -0.068 40.763 40.800 0.052 0.000 0.966 167 D HN 0.346 nan 8.370 nan 0.000 0.456 168 A N 0.974 123.823 122.820 0.048 0.000 1.898 168 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 168 A C 2.168 179.813 177.584 0.102 0.000 1.181 168 A CA 0.658 52.719 52.037 0.039 0.000 0.620 168 A CB -0.647 18.376 19.000 0.039 0.000 0.819 168 A HN 0.216 nan 8.150 nan 0.000 0.442 169 L N -0.581 120.761 121.223 0.197 0.000 2.187 169 L HA -0.198 4.142 4.340 -0.000 0.000 0.213 169 L C 2.684 179.827 176.870 0.455 0.000 1.100 169 L CA 2.014 57.090 54.840 0.393 0.000 0.765 169 L CB -1.135 41.142 42.059 0.363 0.000 0.904 169 L HN 0.473 nan 8.230 nan 0.000 0.437 170 A N -1.112 121.770 122.820 0.103 0.000 2.072 170 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 170 A C 1.880 179.397 177.584 -0.113 0.000 1.156 170 A CA 0.357 52.208 52.037 -0.309 0.000 0.701 170 A CB -0.253 18.276 19.000 -0.784 0.000 0.816 170 A HN 0.470 nan 8.150 nan 0.000 0.458 171 E N -0.441 119.719 120.200 -0.067 0.000 2.515 171 E HA -0.143 4.207 4.350 -0.000 0.000 0.201 171 E C 0.954 177.476 176.600 -0.129 0.000 1.071 171 E CA 0.357 56.692 56.400 -0.109 0.000 0.880 171 E CB -0.204 29.413 29.700 -0.137 0.000 0.828 171 E HN 0.676 nan 8.360 nan 0.000 0.540 172 H N 0.105 119.200 119.070 0.042 0.000 2.529 172 H HA 0.068 4.624 4.556 -0.000 0.000 0.277 172 H C 0.985 176.316 175.328 0.006 0.000 0.999 172 H CA 0.300 56.364 56.048 0.027 0.000 1.256 172 H CB 0.153 29.947 29.762 0.053 0.000 1.402 172 H HN 0.115 nan 8.280 nan 0.000 0.566 173 L N 0.840 122.145 121.223 0.136 0.000 2.492 173 L HA -0.126 4.214 4.340 -0.000 0.000 0.280 173 L C 1.919 178.772 176.870 -0.029 0.000 1.240 173 L CA 0.020 54.909 54.840 0.082 0.000 0.831 173 L CB 0.810 42.901 42.059 0.052 0.000 1.100 173 L HN 0.128 nan 8.230 nan 0.000 0.505 174 L N 1.065 122.220 121.223 -0.114 0.000 1.988 174 L HA -0.059 4.281 4.340 -0.000 0.000 0.207 174 L C 0.236 176.818 176.870 -0.480 0.000 1.071 174 L CA 1.198 55.801 54.840 -0.394 0.000 0.744 174 L CB 0.062 41.700 42.059 -0.703 0.000 0.893 174 L HN 0.325 nan 8.230 nan 0.000 0.433 175 F N -0.647 119.339 119.950 0.061 0.000 2.422 175 F HA 0.175 4.702 4.527 -0.000 0.000 0.333 175 F C 1.459 177.342 175.800 0.138 0.000 1.095 175 F CA -0.779 57.286 58.000 0.109 0.000 1.038 175 F CB 0.670 39.777 39.000 0.179 0.000 1.156 175 F HN -0.077 nan 8.300 nan 0.000 0.483 176 E N 1.412 121.804 120.200 0.320 0.000 2.170 176 E HA -0.364 3.986 4.350 -0.000 0.000 0.229 176 E C 2.038 178.791 176.600 0.255 0.000 1.074 176 E CA 2.860 59.386 56.400 0.210 0.000 0.930 176 E CB -0.576 29.211 29.700 0.146 0.000 0.806 176 E HN 0.954 nan 8.360 nan 0.000 0.478 177 H N -0.887 118.242 119.070 0.097 0.000 2.395 177 H HA 0.031 4.587 4.556 -0.000 0.000 0.299 177 H C 1.638 177.005 175.328 0.064 0.000 1.070 177 H CA 0.599 56.685 56.048 0.063 0.000 1.356 177 H CB -0.097 29.691 29.762 0.043 0.000 1.401 177 H HN 0.010 nan 8.280 nan 0.000 0.524 178 D N 1.244 121.598 120.400 -0.077 0.000 2.239 178 D HA -0.135 4.505 4.640 -0.000 0.000 0.202 178 D C 2.154 178.427 176.300 -0.045 0.000 0.993 178 D CA 0.893 54.836 54.000 -0.095 0.000 0.874 178 D CB 0.039 40.848 40.800 0.015 0.000 0.922 178 D HN 0.325 nan 8.370 nan 0.000 0.464 179 V N 0.473 120.384 119.914 -0.004 0.000 2.232 179 V HA -0.183 3.937 4.120 -0.000 0.000 0.239 179 V C 2.522 178.589 176.094 -0.044 0.000 1.040 179 V CA 1.333 63.598 62.300 -0.059 0.000 0.996 179 V CB -0.773 31.034 31.823 -0.026 0.000 0.638 179 V HN 0.059 nan 8.190 nan 0.000 0.453 180 V N 0.760 120.683 119.914 0.016 0.000 2.313 180 V HA -0.397 3.723 4.120 -0.000 0.000 0.253 180 V C 2.265 178.376 176.094 0.028 0.000 1.070 180 V CA 3.071 65.390 62.300 0.031 0.000 1.057 180 V CB -0.836 31.025 31.823 0.064 0.000 0.653 180 V HN 0.700 nan 8.190 nan 0.000 0.450 181 N N 0.400 119.117 118.700 0.027 0.000 2.043 181 N HA -0.128 4.612 4.740 -0.000 0.000 0.193 181 N C 1.882 177.402 175.510 0.018 0.000 1.037 181 N CA 2.183 55.248 53.050 0.025 0.000 0.851 181 N CB -0.773 37.711 38.487 -0.006 0.000 1.027 181 N HN 0.645 nan 8.380 nan 0.000 0.422 182 A N 0.696 123.492 122.820 -0.041 0.000 1.902 182 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 182 A C 2.039 179.610 177.584 -0.022 0.000 1.181 182 A CA 1.435 53.427 52.037 -0.076 0.000 0.623 182 A CB -0.632 18.145 19.000 -0.372 0.000 0.818 182 A HN 0.394 nan 8.150 nan 0.000 0.443 183 Q N -1.089 118.686 119.800 -0.042 0.000 2.170 183 Q HA -0.200 4.140 4.340 -0.000 0.000 0.203 183 Q C 2.342 178.395 176.000 0.090 0.000 0.976 183 Q CA 1.562 57.379 55.803 0.024 0.000 0.858 183 Q CB -0.203 28.540 28.738 0.009 0.000 0.907 183 Q HN 0.729 nan 8.270 nan 0.000 0.433 184 R N 1.203 121.752 120.500 0.082 0.000 2.073 184 R HA -0.133 4.207 4.340 -0.000 0.000 0.229 184 R C 1.775 178.165 176.300 0.148 0.000 1.120 184 R CA 1.257 57.419 56.100 0.104 0.000 0.967 184 R CB 0.089 30.440 30.300 0.085 0.000 0.862 184 R HN 0.248 nan 8.270 nan 0.000 0.436 185 E N 0.210 120.510 120.200 0.168 0.000 2.130 185 E HA -0.210 4.140 4.350 -0.000 0.000 0.196 185 E C 1.715 178.526 176.600 0.352 0.000 0.998 185 E CA 1.443 58.005 56.400 0.270 0.000 0.806 185 E CB -0.079 29.745 29.700 0.206 0.000 0.738 185 E HN 0.377 nan 8.360 nan 0.000 0.459 186 N N 0.686 119.555 118.700 0.282 0.000 2.043 186 N HA -0.159 4.581 4.740 -0.000 0.000 0.193 186 N C 1.633 177.354 175.510 0.351 0.000 1.037 186 N CA 1.053 54.325 53.050 0.370 0.000 0.851 186 N CB -0.242 38.463 38.487 0.363 0.000 1.027 186 N HN 0.082 nan 8.380 nan 0.000 0.422 187 R N 0.309 120.955 120.500 0.242 0.000 2.105 187 R HA -0.003 4.337 4.340 -0.000 0.000 0.239 187 R C 2.126 178.503 176.300 0.128 0.000 1.135 187 R CA 0.880 57.090 56.100 0.183 0.000 0.967 187 R CB -0.379 29.999 30.300 0.130 0.000 0.861 187 R HN 0.316 nan 8.270 nan 0.000 0.442 188 I N -0.493 120.141 120.570 0.108 0.000 2.394 188 I HA -0.250 3.920 4.170 -0.000 0.000 0.251 188 I C 1.497 177.481 176.117 -0.221 0.000 1.136 188 I CA 1.365 62.629 61.300 -0.060 0.000 1.425 188 I CB -0.119 37.819 38.000 -0.102 0.000 1.079 188 I HN 0.067 nan 8.210 nan 0.000 0.425 189 F N -0.776 119.127 119.950 -0.080 0.000 2.317 189 F HA 0.064 4.591 4.527 -0.000 0.000 0.290 189 F C 0.701 176.365 175.800 -0.228 0.000 1.075 189 F CA 0.060 57.934 58.000 -0.211 0.000 1.380 189 F CB -0.229 38.539 39.000 -0.386 0.000 1.093 189 F HN -0.148 nan 8.300 nan 0.000 0.524 190 Y N 1.927 122.373 120.300 0.243 0.000 2.691 190 Y HA 0.358 4.908 4.550 -0.000 0.000 0.338 190 Y C 0.097 176.074 175.900 0.128 0.000 1.148 190 Y CA -0.325 57.883 58.100 0.180 0.000 1.430 190 Y CB -0.407 38.161 38.460 0.179 0.000 1.303 190 Y HN 0.019 nan 8.280 nan 0.000 0.499 191 Q N 1.302 121.214 119.800 0.186 0.000 2.528 191 Q HA 0.431 4.771 4.340 -0.000 0.000 0.289 191 Q C -0.787 175.209 176.000 -0.007 0.000 1.091 191 Q CA -1.404 54.449 55.803 0.083 0.000 0.797 191 Q CB 2.667 31.404 28.738 -0.002 0.000 1.466 191 Q HN 0.478 nan 8.270 nan 0.000 0.436 192 R N 1.837 122.248 120.500 -0.148 0.000 2.196 192 R HA 0.284 4.624 4.340 -0.000 0.000 0.340 192 R C -1.071 175.026 176.300 -0.339 0.000 1.043 192 R CA 0.023 55.821 56.100 -0.503 0.000 0.883 192 R CB 0.436 30.295 30.300 -0.735 0.000 1.078 192 R HN 0.446 nan 8.270 nan 0.000 0.462 193 K N 1.667 121.892 120.400 -0.292 0.000 2.166 193 K HA 0.215 4.535 4.320 -0.000 0.000 0.245 193 K C -0.278 176.254 176.600 -0.113 0.000 0.967 193 K CA -0.722 55.472 56.287 -0.154 0.000 0.863 193 K CB 1.763 34.195 32.500 -0.113 0.000 1.107 193 K HN 0.381 nan 8.250 nan 0.000 0.436 194 S N 0.697 116.343 115.700 -0.091 0.000 2.564 194 S HA 0.291 4.761 4.470 -0.000 0.000 0.278 194 S C -0.195 174.293 174.600 -0.187 0.000 1.333 194 S CA -0.692 57.407 58.200 -0.170 0.000 1.048 194 S CB 0.309 63.433 63.200 -0.127 0.000 0.900 194 S HN 0.599 nan 8.310 nan 0.000 0.505 195 A N 5.788 128.451 122.820 -0.261 0.000 2.425 195 A HA 0.470 4.790 4.320 -0.000 0.000 0.249 195 A C -0.833 176.685 177.584 -0.109 0.000 1.084 195 A CA -1.100 50.851 52.037 -0.143 0.000 0.781 195 A CB -0.059 18.879 19.000 -0.103 0.000 1.019 195 A HN 0.844 nan 8.150 nan 0.000 0.490 196 P HA 0.222 nan 4.420 nan 0.000 0.217 196 P C 0.249 177.509 177.300 -0.067 0.000 1.153 196 P CA 1.488 64.547 63.100 -0.068 0.000 0.843 196 P CB 0.318 31.984 31.700 -0.056 0.000 0.794 197 A N -0.933 121.839 122.820 -0.081 0.000 2.608 197 A HA 0.444 4.764 4.320 -0.000 0.000 0.292 197 A C -0.993 176.500 177.584 -0.151 0.000 1.066 197 A CA -0.621 51.363 52.037 -0.087 0.000 0.676 197 A CB 0.990 19.951 19.000 -0.066 0.000 1.277 197 A HN -0.169 nan 8.150 nan 0.000 0.413 198 V N 2.904 122.714 119.914 -0.174 0.000 2.539 198 V HA 0.053 4.173 4.120 -0.000 0.000 0.300 198 V C -0.562 175.355 176.094 -0.294 0.000 1.019 198 V CA 0.491 62.588 62.300 -0.337 0.000 1.160 198 V CB 0.149 31.866 31.823 -0.177 0.000 0.901 198 V HN 0.883 nan 8.190 nan 0.000 0.481 199 P HA -0.050 nan 4.420 nan 0.000 0.217 199 P C 0.281 177.508 177.300 -0.122 0.000 1.151 199 P CA 1.158 64.128 63.100 -0.217 0.000 0.828 199 P CB 0.173 31.753 31.700 -0.200 0.000 0.788 200 V N -1.347 118.513 119.914 -0.090 0.000 2.384 200 V HA 0.489 4.609 4.120 -0.000 0.000 0.287 200 V C 0.037 176.137 176.094 0.009 0.000 1.020 200 V CA -1.203 61.078 62.300 -0.032 0.000 0.850 200 V CB 1.516 33.362 31.823 0.039 0.000 0.987 200 V HN -0.170 nan 8.190 nan 0.000 0.436 201 I N 5.077 125.605 120.570 -0.071 0.000 2.315 201 I HA 0.442 4.612 4.170 -0.000 0.000 0.291 201 I C -0.641 175.424 176.117 -0.086 0.000 1.006 201 I CA -0.127 61.173 61.300 -0.000 0.000 1.265 201 I CB 1.180 39.171 38.000 -0.016 0.000 1.387 201 I HN 0.488 nan 8.210 nan 0.000 0.475 202 F N 3.749 123.701 119.950 0.003 0.000 2.404 202 F HA 0.359 4.886 4.527 -0.000 0.000 0.345 202 F C 1.427 177.230 175.800 0.005 0.000 1.110 202 F CA -0.179 57.824 58.000 0.006 0.000 1.130 202 F CB 1.514 40.525 39.000 0.019 0.000 1.129 202 F HN 0.547 nan 8.300 nan 0.000 0.500 203 G N 2.238 111.106 108.800 0.113 0.000 2.505 203 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.214 203 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.214 203 G C 0.065 175.024 174.900 0.099 0.000 1.237 203 G CA -0.030 45.116 45.100 0.076 0.000 0.802 203 G HN 0.668 nan 8.290 nan 0.000 0.549 204 D N 2.484 122.952 120.400 0.113 0.000 2.667 204 D HA -0.015 4.625 4.640 -0.000 0.000 0.226 204 D C -0.246 176.109 176.300 0.091 0.000 1.137 204 D CA 0.629 54.690 54.000 0.101 0.000 0.855 204 D CB 0.551 41.422 40.800 0.118 0.000 1.194 204 D HN 0.488 nan 8.370 nan 0.000 0.492 205 D N 0.900 121.341 120.400 0.069 0.000 2.177 205 D HA 0.446 5.086 4.640 -0.000 0.000 0.247 205 D C -0.271 176.056 176.300 0.045 0.000 1.063 205 D CA -0.588 53.442 54.000 0.050 0.000 0.867 205 D CB 1.504 42.330 40.800 0.043 0.000 1.168 205 D HN 0.175 nan 8.370 nan 0.000 0.445 206 L N -1.308 119.925 121.223 0.018 0.000 2.491 206 L HA 0.476 4.816 4.340 -0.000 0.000 0.254 206 L C 0.015 176.873 176.870 -0.022 0.000 1.048 206 L CA -1.336 53.506 54.840 0.004 0.000 0.855 206 L CB 0.100 42.141 42.059 -0.031 0.000 1.466 206 L HN 0.284 nan 8.230 nan 0.000 0.409 207 E N 0.809 120.995 120.200 -0.023 0.000 2.508 207 E HA -0.038 4.312 4.350 -0.000 0.000 0.266 207 E C -1.760 174.807 176.600 -0.055 0.000 1.010 207 E CA -0.810 55.573 56.400 -0.029 0.000 0.955 207 E CB 0.177 29.861 29.700 -0.026 0.000 0.946 207 E HN 0.472 nan 8.360 nan 0.000 0.454 208 P HA -0.171 nan 4.420 nan 0.000 0.218 208 P C 1.045 178.308 177.300 -0.062 0.000 1.149 208 P CA 1.485 64.559 63.100 -0.044 0.000 0.817 208 P CB 0.132 31.816 31.700 -0.027 0.000 0.785 209 A N -0.274 122.510 122.820 -0.060 0.000 1.986 209 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 209 A C 2.009 179.531 177.584 -0.104 0.000 1.171 209 A CA 2.430 54.427 52.037 -0.066 0.000 0.640 209 A CB -1.598 17.373 19.000 -0.048 0.000 0.811 209 A HN 0.233 nan 8.150 nan 0.000 0.451 210 V N -3.707 116.105 119.914 -0.170 0.000 3.643 210 V HA 0.261 4.381 4.120 -0.000 0.000 0.280 210 V C 0.952 176.885 176.094 -0.268 0.000 1.351 210 V CA -0.018 62.114 62.300 -0.279 0.000 1.073 210 V CB -0.851 30.613 31.823 -0.598 0.000 0.863 210 V HN 0.419 nan 8.190 nan 0.000 0.436 211 R N 2.011 122.402 120.500 -0.182 0.000 2.640 211 R HA 0.064 4.404 4.340 -0.000 0.000 0.270 211 R C 0.090 176.342 176.300 -0.080 0.000 1.024 211 R CA 0.159 56.182 56.100 -0.127 0.000 1.085 211 R CB 0.348 30.605 30.300 -0.070 0.000 0.963 211 R HN 0.473 nan 8.270 nan 0.000 0.426 212 E N 3.926 124.103 120.200 -0.038 0.000 2.360 212 E HA 0.069 4.419 4.350 -0.000 0.000 0.269 212 E C -0.182 176.463 176.600 0.075 0.000 1.022 212 E CA 0.254 56.688 56.400 0.056 0.000 0.887 212 E CB 1.042 30.847 29.700 0.175 0.000 0.990 212 E HN 0.469 nan 8.360 nan 0.000 0.426 213 R N 0.610 121.167 120.500 0.094 0.000 2.892 213 R HA 0.559 4.899 4.340 -0.000 0.000 0.265 213 R C 0.738 177.115 176.300 0.130 0.000 1.025 213 R CA -0.655 55.485 56.100 0.067 0.000 0.982 213 R CB 0.895 31.206 30.300 0.018 0.000 1.185 213 R HN 0.489 nan 8.270 nan 0.000 0.484 214 A N 1.040 123.896 122.820 0.061 0.000 1.969 214 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 214 A C 1.379 178.995 177.584 0.055 0.000 1.169 214 A CA 1.094 53.165 52.037 0.057 0.000 0.635 214 A CB -0.568 18.417 19.000 -0.025 0.000 0.810 214 A HN 0.745 nan 8.150 nan 0.000 0.445 215 N N 0.330 119.033 118.700 0.004 0.000 2.334 215 N HA -0.136 4.604 4.740 -0.000 0.000 0.187 215 N C 1.306 176.789 175.510 -0.046 0.000 1.016 215 N CA 1.356 54.380 53.050 -0.043 0.000 0.879 215 N CB -0.306 38.163 38.487 -0.030 0.000 0.965 215 N HN 0.551 nan 8.380 nan 0.000 0.438 216 L N -0.756 120.459 121.223 -0.012 0.000 2.558 216 L HA 0.089 4.429 4.340 -0.000 0.000 0.225 216 L C 0.049 176.752 176.870 -0.278 0.000 1.128 216 L CA 0.298 55.033 54.840 -0.176 0.000 0.868 216 L CB -0.186 41.676 42.059 -0.328 0.000 1.006 216 L HN 0.016 nan 8.230 nan 0.000 0.454 217 Y N -1.970 118.279 120.300 -0.085 0.000 2.621 217 Y HA 0.576 5.126 4.550 -0.000 0.000 0.334 217 Y C -0.364 175.410 175.900 -0.210 0.000 1.074 217 Y CA -1.081 56.997 58.100 -0.037 0.000 1.149 217 Y CB 1.194 39.646 38.460 -0.013 0.000 1.302 217 Y HN -0.144 nan 8.280 nan 0.000 0.501 218 H N -0.678 118.491 119.070 0.164 0.000 2.894 218 H HA 0.509 5.065 4.556 -0.000 0.000 0.367 218 H C -1.101 174.218 175.328 -0.016 0.000 1.144 218 H CA -1.056 54.968 56.048 -0.039 0.000 1.180 218 H CB 1.892 31.509 29.762 -0.241 0.000 1.758 218 H HN 0.512 nan 8.280 nan 0.000 0.541 219 R N 1.987 122.456 120.500 -0.052 0.000 2.486 219 R HA 0.439 4.779 4.340 -0.000 0.000 0.286 219 R C -1.480 174.742 176.300 -0.131 0.000 0.999 219 R CA -0.464 55.649 56.100 0.023 0.000 0.993 219 R CB 0.632 30.928 30.300 -0.007 0.000 1.084 219 R HN 0.548 nan 8.270 nan 0.000 0.487 220 Y N 0.925 121.253 120.300 0.046 0.000 2.373 220 Y HA 0.321 4.871 4.550 -0.000 0.000 0.336 220 Y C -0.383 175.573 175.900 0.093 0.000 0.979 220 Y CA -0.755 57.378 58.100 0.055 0.000 1.080 220 Y CB 2.609 41.100 38.460 0.052 0.000 1.190 220 Y HN 0.520 nan 8.280 nan 0.000 0.446 221 S N 2.882 118.728 115.700 0.243 0.000 2.411 221 S HA 0.537 5.007 4.470 -0.000 0.000 0.294 221 S C -0.335 174.521 174.600 0.425 0.000 1.115 221 S CA -0.523 57.826 58.200 0.250 0.000 1.071 221 S CB 0.158 63.451 63.200 0.155 0.000 0.967 221 S HN 0.374 nan 8.310 nan 0.000 0.488 222 V N 6.271 126.431 119.914 0.409 0.000 2.769 222 V HA 0.441 4.561 4.120 -0.000 0.000 0.312 222 V C -1.856 174.530 176.094 0.486 0.000 1.058 222 V CA -2.072 60.487 62.300 0.432 0.000 0.952 222 V CB 2.022 34.027 31.823 0.304 0.000 1.019 222 V HN 0.591 nan 8.190 nan 0.000 0.445 223 P HA 0.137 nan 4.420 nan 0.000 0.228 223 P C -1.240 176.121 177.300 0.102 0.000 1.748 223 P CA 0.245 63.371 63.100 0.044 0.000 0.909 223 P CB -0.481 30.916 31.700 -0.505 0.000 1.882 224 Y N -0.982 119.457 120.300 0.231 0.000 2.512 224 Y HA 0.311 4.861 4.550 -0.000 0.000 0.348 224 Y C 0.922 176.969 175.900 0.245 0.000 0.990 224 Y CA -0.989 57.279 58.100 0.279 0.000 1.033 224 Y CB 1.413 39.991 38.460 0.197 0.000 1.259 224 Y HN 0.094 nan 8.280 nan 0.000 0.461 225 H N 2.048 121.282 119.070 0.273 0.000 2.629 225 H HA 0.008 4.564 4.556 -0.000 0.000 0.357 225 H C 0.715 176.080 175.328 0.061 0.000 1.121 225 H CA 0.105 56.091 56.048 -0.104 0.000 1.406 225 H CB 1.603 31.075 29.762 -0.483 0.000 1.456 225 H HN 0.834 nan 8.280 nan 0.000 0.579 226 Q N 3.934 123.294 119.800 -0.733 0.000 2.045 226 Q HA -0.182 4.158 4.340 -0.000 0.000 0.206 226 Q C 2.341 178.271 176.000 -0.118 0.000 0.991 226 Q CA 2.105 57.691 55.803 -0.361 0.000 0.851 226 Q CB -0.500 27.996 28.738 -0.402 0.000 0.911 226 Q HN 0.827 nan 8.270 nan 0.000 0.418 227 I N 0.076 120.595 120.570 -0.086 0.000 2.300 227 I HA -0.359 3.811 4.170 -0.000 0.000 0.252 227 I C 1.542 177.862 176.117 0.339 0.000 1.119 227 I CA 1.712 63.167 61.300 0.259 0.000 1.384 227 I CB -0.088 38.195 38.000 0.472 0.000 1.062 227 I HN 0.365 nan 8.210 nan 0.000 0.426 228 E N 0.563 120.993 120.200 0.383 0.000 2.051 228 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 228 E C 1.444 178.212 176.600 0.280 0.000 0.991 228 E CA 1.585 58.226 56.400 0.401 0.000 0.799 228 E CB -0.169 29.853 29.700 0.537 0.000 0.748 228 E HN 0.563 nan 8.360 nan 0.000 0.449 229 L N -2.380 118.966 121.223 0.205 0.000 2.791 229 L HA 0.469 4.809 4.340 -0.000 0.000 0.239 229 L C 1.325 178.231 176.870 0.059 0.000 1.203 229 L CA -0.028 54.904 54.840 0.154 0.000 1.002 229 L CB 0.230 42.350 42.059 0.101 0.000 1.295 229 L HN -0.140 nan 8.230 nan 0.000 0.504 230 A N 0.560 123.387 122.820 0.012 0.000 1.855 230 A HA -0.053 4.267 4.320 -0.000 0.000 0.213 230 A C 2.067 179.478 177.584 -0.287 0.000 1.195 230 A CA 1.339 53.325 52.037 -0.085 0.000 0.610 230 A CB -0.716 18.281 19.000 -0.006 0.000 0.837 230 A HN 0.414 nan 8.150 nan 0.000 0.444 231 L N 0.044 120.945 121.223 -0.537 0.000 2.123 231 L HA -0.259 4.080 4.340 -0.000 0.000 0.217 231 L C 1.842 178.438 176.870 -0.457 0.000 1.081 231 L CA 2.239 56.627 54.840 -0.753 0.000 0.772 231 L CB -0.862 40.782 42.059 -0.692 0.000 0.890 231 L HN 0.555 nan 8.230 nan 0.000 0.437 232 H N -1.023 117.966 119.070 -0.134 0.000 2.553 232 H HA 0.240 4.796 4.556 -0.000 0.000 0.269 232 H C 1.806 177.089 175.328 -0.076 0.000 1.011 232 H CA 0.730 56.728 56.048 -0.083 0.000 1.150 232 H CB -0.145 29.585 29.762 -0.053 0.000 1.339 232 H HN 0.556 nan 8.280 nan 0.000 0.604 233 A N 0.137 122.937 122.820 -0.034 0.000 2.035 233 A HA 0.118 4.438 4.320 -0.000 0.000 0.208 233 A C 2.323 179.869 177.584 -0.062 0.000 1.206 233 A CA -0.160 51.856 52.037 -0.035 0.000 0.773 233 A CB -0.173 18.793 19.000 -0.057 0.000 0.878 233 A HN 0.247 nan 8.150 nan 0.000 0.469 234 L N -0.306 120.848 121.223 -0.115 0.000 2.131 234 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 234 L C 2.998 179.841 176.870 -0.046 0.000 1.092 234 L CA 0.997 55.778 54.840 -0.099 0.000 0.759 234 L CB -0.347 41.623 42.059 -0.148 0.000 0.903 234 L HN 0.460 nan 8.230 nan 0.000 0.435 235 A N 0.114 122.916 122.820 -0.029 0.000 1.855 235 A HA -0.264 4.056 4.320 -0.000 0.000 0.215 235 A C 1.999 179.588 177.584 0.008 0.000 1.191 235 A CA 2.034 54.074 52.037 0.005 0.000 0.613 235 A CB -0.753 18.274 19.000 0.045 0.000 0.829 235 A HN 0.413 nan 8.150 nan 0.000 0.442 236 N N 0.367 119.075 118.700 0.013 0.000 2.111 236 N HA -0.215 4.525 4.740 -0.000 0.000 0.197 236 N C 1.155 176.649 175.510 -0.026 0.000 1.011 236 N CA 1.993 55.051 53.050 0.015 0.000 0.880 236 N CB -0.364 38.133 38.487 0.017 0.000 1.031 236 N HN 0.498 nan 8.380 nan 0.000 0.444 237 D N -0.122 120.252 120.400 -0.043 0.000 2.104 237 D HA -0.115 4.525 4.640 -0.000 0.000 0.194 237 D C 2.003 178.253 176.300 -0.085 0.000 0.994 237 D CA 0.580 54.537 54.000 -0.071 0.000 0.830 237 D CB -0.423 40.350 40.800 -0.045 0.000 0.959 237 D HN 0.255 nan 8.370 nan 0.000 0.452 238 L N 0.045 121.238 121.223 -0.051 0.000 2.064 238 L HA -0.245 4.095 4.340 -0.000 0.000 0.216 238 L C 2.369 179.204 176.870 -0.058 0.000 1.077 238 L CA 0.574 55.379 54.840 -0.059 0.000 0.766 238 L CB -0.399 41.641 42.059 -0.031 0.000 0.890 238 L HN 0.148 nan 8.230 nan 0.000 0.435 239 L N 0.105 121.315 121.223 -0.022 0.000 2.034 239 L HA -0.300 4.040 4.340 -0.000 0.000 0.217 239 L C 2.748 179.551 176.870 -0.111 0.000 1.077 239 L CA 2.490 57.338 54.840 0.013 0.000 0.769 239 L CB -0.508 41.514 42.059 -0.061 0.000 0.890 239 L HN 0.463 nan 8.230 nan 0.000 0.435 240 S N -2.271 113.210 115.700 -0.367 0.000 2.503 240 S HA 0.055 4.525 4.470 -0.000 0.000 0.217 240 S C 1.846 176.260 174.600 -0.311 0.000 0.999 240 S CA 0.213 58.019 58.200 -0.657 0.000 0.914 240 S CB -0.323 62.296 63.200 -0.968 0.000 0.782 240 S HN 0.296 nan 8.310 nan 0.000 0.520 241 I N 2.368 122.814 120.570 -0.206 0.000 2.233 241 I HA -0.062 4.108 4.170 -0.000 0.000 0.243 241 I C 2.676 178.695 176.117 -0.163 0.000 1.093 241 I CA 1.260 62.468 61.300 -0.153 0.000 1.380 241 I CB -1.579 36.347 38.000 -0.124 0.000 1.067 241 I HN 0.453 nan 8.210 nan 0.000 0.413 242 Q N -0.450 119.218 119.800 -0.221 0.000 2.089 242 Q HA -0.022 4.318 4.340 -0.000 0.000 0.195 242 Q C 0.157 175.939 176.000 -0.364 0.000 0.963 242 Q CA 1.005 56.580 55.803 -0.380 0.000 0.834 242 Q CB -0.070 28.271 28.738 -0.661 0.000 0.906 242 Q HN 0.399 nan 8.270 nan 0.000 0.452 243 Y N -0.263 120.009 120.300 -0.045 0.000 2.519 243 Y HA 0.424 4.974 4.550 -0.000 0.000 0.324 243 Y C 0.342 176.314 175.900 0.119 0.000 1.214 243 Y CA -1.286 56.820 58.100 0.010 0.000 1.260 243 Y CB 1.259 39.715 38.460 -0.006 0.000 1.311 243 Y HN 0.188 nan 8.280 nan 0.000 0.505 244 C N -1.689 117.796 119.300 0.307 0.000 3.320 244 C HA 0.393 4.853 4.460 -0.000 0.000 0.335 244 C C -0.944 174.113 174.990 0.112 0.000 1.430 244 C CA -0.959 58.223 59.018 0.274 0.000 1.271 244 C CB 1.335 29.186 27.740 0.185 0.000 1.609 244 C HN 0.977 nan 8.230 nan 0.000 0.457 245 H N 1.495 120.534 119.070 -0.053 0.000 2.652 245 H HA 0.239 4.795 4.556 -0.000 0.000 0.349 245 H C -1.740 173.555 175.328 -0.056 0.000 1.099 245 H CA -0.589 55.385 56.048 -0.123 0.000 1.417 245 H CB 1.769 31.438 29.762 -0.156 0.000 1.457 245 H HN 0.421 nan 8.280 nan 0.000 0.568 246 P HA -0.176 nan 4.420 nan 0.000 0.217 246 P C 1.405 178.655 177.300 -0.083 0.000 1.151 246 P CA 1.895 64.799 63.100 -0.327 0.000 0.849 246 P CB 0.134 31.561 31.700 -0.455 0.000 0.787 247 T N -0.752 113.778 114.554 -0.040 0.000 2.653 247 T HA -0.169 4.181 4.350 -0.000 0.000 0.268 247 T C 1.758 176.599 174.700 0.235 0.000 1.035 247 T CA 1.757 63.989 62.100 0.219 0.000 1.154 247 T CB -1.122 67.979 68.868 0.388 0.000 0.862 247 T HN -0.089 nan 8.240 nan 0.000 0.441 248 V N 1.211 121.242 119.914 0.195 0.000 2.287 248 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 248 V C 2.674 178.871 176.094 0.173 0.000 1.053 248 V CA 1.581 63.981 62.300 0.167 0.000 1.027 248 V CB -0.957 30.942 31.823 0.128 0.000 0.646 248 V HN 0.341 nan 8.190 nan 0.000 0.447 249 V N -0.648 119.354 119.914 0.145 0.000 2.282 249 V HA -0.344 3.776 4.120 -0.000 0.000 0.249 249 V C 2.210 178.431 176.094 0.212 0.000 1.057 249 V CA 2.692 65.090 62.300 0.163 0.000 1.032 249 V CB -0.953 30.949 31.823 0.130 0.000 0.645 249 V HN 0.651 nan 8.190 nan 0.000 0.447 250 Y N 2.187 122.550 120.300 0.105 0.000 2.049 250 Y HA -0.286 4.264 4.550 -0.000 0.000 0.277 250 Y C 2.605 178.574 175.900 0.116 0.000 1.143 250 Y CA 2.186 60.342 58.100 0.094 0.000 1.115 250 Y CB -0.678 37.827 38.460 0.074 0.000 0.975 250 Y HN 0.268 nan 8.280 nan 0.000 0.487 251 N N -0.545 118.204 118.700 0.081 0.000 2.132 251 N HA -0.278 4.462 4.740 -0.000 0.000 0.191 251 N C 1.689 177.194 175.510 -0.007 0.000 1.015 251 N CA 1.885 54.932 53.050 -0.006 0.000 0.864 251 N CB -0.954 37.618 38.487 0.143 0.000 1.006 251 N HN 0.542 nan 8.380 nan 0.000 0.430 252 Y N 1.698 121.974 120.300 -0.041 0.000 2.109 252 Y HA -0.034 4.516 4.550 -0.000 0.000 0.281 252 Y C 2.411 178.294 175.900 -0.028 0.000 1.113 252 Y CA 1.219 59.310 58.100 -0.016 0.000 1.098 252 Y CB -0.711 37.760 38.460 0.019 0.000 0.996 252 Y HN -0.097 nan 8.280 nan 0.000 0.485 253 L N 0.019 121.265 121.223 0.039 0.000 2.021 253 L HA -0.310 4.030 4.340 -0.000 0.000 0.215 253 L C 2.687 179.529 176.870 -0.045 0.000 1.074 253 L CA 2.041 56.873 54.840 -0.013 0.000 0.760 253 L CB -1.180 40.890 42.059 0.019 0.000 0.889 253 L HN 0.425 nan 8.230 nan 0.000 0.433 254 S N -0.731 114.830 115.700 -0.233 0.000 2.402 254 S HA -0.161 4.309 4.470 -0.000 0.000 0.229 254 S C 2.081 176.599 174.600 -0.138 0.000 1.021 254 S CA 1.117 59.166 58.200 -0.251 0.000 0.974 254 S CB -0.500 62.270 63.200 -0.716 0.000 0.800 254 S HN 0.558 nan 8.310 nan 0.000 0.484 255 S N 1.453 117.053 115.700 -0.168 0.000 2.489 255 S HA 0.135 4.605 4.470 -0.000 0.000 0.228 255 S C 1.876 176.394 174.600 -0.137 0.000 0.995 255 S CA -0.028 58.096 58.200 -0.127 0.000 0.934 255 S CB -0.401 62.731 63.200 -0.113 0.000 0.771 255 S HN 0.557 nan 8.310 nan 0.000 0.522 256 R N 1.522 121.918 120.500 -0.172 0.000 2.153 256 R HA 0.294 4.634 4.340 -0.000 0.000 0.218 256 R C 1.057 177.238 176.300 -0.199 0.000 1.072 256 R CA 0.533 56.516 56.100 -0.195 0.000 0.990 256 R CB -0.590 29.571 30.300 -0.232 0.000 0.889 256 R HN 0.490 nan 8.270 nan 0.000 0.452 257 A N 3.930 126.675 122.820 -0.126 0.000 2.581 257 A HA -0.004 4.316 4.320 -0.000 0.000 0.257 257 A C -1.858 175.611 177.584 -0.193 0.000 1.022 257 A CA -0.615 51.276 52.037 -0.244 0.000 0.812 257 A CB -0.369 18.681 19.000 0.084 0.000 0.918 257 A HN 0.119 nan 8.150 nan 0.000 0.516 258 P HA 0.077 nan 4.420 nan 0.000 0.274 258 P C -0.104 177.193 177.300 -0.005 0.000 1.256 258 P CA -0.709 62.345 63.100 -0.076 0.000 0.795 258 P CB 0.414 32.096 31.700 -0.030 0.000 1.038 259 N N 0.651 119.370 118.700 0.031 0.000 2.219 259 N HA -0.167 4.573 4.740 -0.000 0.000 0.263 259 N C 0.096 175.668 175.510 0.103 0.000 1.269 259 N CA 0.669 53.705 53.050 -0.024 0.000 0.831 259 N CB -0.829 37.619 38.487 -0.065 0.000 1.059 259 N HN 0.544 nan 8.380 nan 0.000 0.475 260 F N -0.918 119.047 119.950 0.024 0.000 2.746 260 F HA -0.275 4.252 4.527 -0.000 0.000 0.315 260 F C -0.338 175.496 175.800 0.058 0.000 0.666 260 F CA 0.020 58.040 58.000 0.033 0.000 1.381 260 F CB -1.197 37.844 39.000 0.069 0.000 1.739 260 F HN 0.358 nan 8.300 nan 0.000 0.322 261 L N -0.470 120.876 121.223 0.205 0.000 2.327 261 L HA 0.753 5.093 4.340 -0.000 0.000 0.258 261 L C 0.015 176.986 176.870 0.170 0.000 1.024 261 L CA -0.888 54.056 54.840 0.173 0.000 0.825 261 L CB 2.437 44.566 42.059 0.116 0.000 1.386 261 L HN -0.077 nan 8.230 nan 0.000 0.417 262 R N 0.426 121.055 120.500 0.215 0.000 2.774 262 R HA 0.514 4.854 4.340 -0.000 0.000 0.272 262 R C -1.589 174.848 176.300 0.228 0.000 1.000 262 R CA -1.073 55.148 56.100 0.201 0.000 0.906 262 R CB 2.488 32.872 30.300 0.140 0.000 1.227 262 R HN 0.337 nan 8.270 nan 0.000 0.468 263 L N 2.527 123.832 121.223 0.138 0.000 2.410 263 L HA 0.083 4.423 4.340 -0.000 0.000 0.273 263 L C 0.188 177.052 176.870 -0.010 0.000 1.152 263 L CA 0.422 55.217 54.840 -0.075 0.000 0.855 263 L CB 0.427 42.419 42.059 -0.112 0.000 1.129 263 L HN 0.497 nan 8.230 nan 0.000 0.463 264 D N 3.365 123.728 120.400 -0.062 0.000 2.667 264 D HA -0.163 4.477 4.640 -0.000 0.000 0.226 264 D C 0.398 176.711 176.300 0.021 0.000 1.137 264 D CA 0.256 54.250 54.000 -0.010 0.000 0.855 264 D CB 0.830 41.610 40.800 -0.034 0.000 1.194 264 D HN 0.646 nan 8.370 nan 0.000 0.492 265 D N 2.900 123.319 120.400 0.032 0.000 2.095 265 D HA -0.192 4.448 4.640 -0.000 0.000 0.192 265 D C 1.918 178.231 176.300 0.022 0.000 0.990 265 D CA 1.365 55.387 54.000 0.036 0.000 0.836 265 D CB -0.043 40.774 40.800 0.029 0.000 0.979 265 D HN 0.599 nan 8.370 nan 0.000 0.447 266 Q N 0.308 120.112 119.800 0.007 0.000 2.118 266 Q HA -0.178 4.162 4.340 -0.000 0.000 0.211 266 Q C 2.420 178.419 176.000 -0.002 0.000 0.998 266 Q CA 1.354 57.154 55.803 -0.005 0.000 0.872 266 Q CB -0.274 28.456 28.738 -0.014 0.000 0.925 266 Q HN 0.152 nan 8.270 nan 0.000 0.414 267 V N 0.346 120.262 119.914 0.002 0.000 2.287 267 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 267 V C 2.265 178.396 176.094 0.062 0.000 1.053 267 V CA 2.021 64.330 62.300 0.015 0.000 1.027 267 V CB -0.643 31.175 31.823 -0.008 0.000 0.646 267 V HN 0.323 nan 8.190 nan 0.000 0.447 268 S N -0.211 115.541 115.700 0.087 0.000 2.359 268 S HA -0.243 4.227 4.470 -0.000 0.000 0.223 268 S C 1.894 176.488 174.600 -0.010 0.000 1.039 268 S CA 2.101 60.384 58.200 0.138 0.000 1.042 268 S CB -0.467 62.839 63.200 0.175 0.000 0.915 268 S HN 0.450 nan 8.310 nan 0.000 0.439 269 L N 1.540 122.755 121.223 -0.014 0.000 1.994 269 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 269 L C 2.406 179.276 176.870 0.001 0.000 1.071 269 L CA 1.801 56.622 54.840 -0.032 0.000 0.745 269 L CB -0.362 41.686 42.059 -0.017 0.000 0.892 269 L HN 0.208 nan 8.230 nan 0.000 0.431 270 K N -0.507 119.903 120.400 0.017 0.000 2.074 270 K HA -0.223 4.097 4.320 -0.000 0.000 0.209 270 K C 2.069 178.764 176.600 0.158 0.000 1.048 270 K CA 1.754 58.067 56.287 0.043 0.000 0.926 270 K CB -0.210 32.267 32.500 -0.038 0.000 0.713 270 K HN 0.331 nan 8.250 nan 0.000 0.444 271 L N -0.206 121.099 121.223 0.137 0.000 2.027 271 L HA -0.160 4.180 4.340 -0.000 0.000 0.206 271 L C 2.656 179.563 176.870 0.062 0.000 1.074 271 L CA 1.755 56.694 54.840 0.166 0.000 0.745 271 L CB -0.571 41.599 42.059 0.185 0.000 0.898 271 L HN 0.365 nan 8.230 nan 0.000 0.433 272 T N -1.451 113.077 114.554 -0.044 0.000 3.055 272 T HA -0.078 4.272 4.350 -0.000 0.000 0.265 272 T C 1.899 176.587 174.700 -0.019 0.000 1.111 272 T CA 1.186 63.216 62.100 -0.117 0.000 1.118 272 T CB -0.043 68.622 68.868 -0.338 0.000 0.909 272 T HN 0.488 nan 8.240 nan 0.000 0.501 273 S N 0.528 116.246 115.700 0.030 0.000 2.528 273 S HA 0.484 4.954 4.470 -0.000 0.000 0.219 273 S C 1.095 175.761 174.600 0.110 0.000 0.985 273 S CA 0.197 58.434 58.200 0.061 0.000 0.914 273 S CB -0.354 62.883 63.200 0.061 0.000 0.776 273 S HN 0.606 nan 8.310 nan 0.000 0.526 274 A N 1.574 124.467 122.820 0.122 0.000 2.565 274 A HA 0.528 4.848 4.320 -0.000 0.000 0.237 274 A C 0.963 178.621 177.584 0.123 0.000 1.053 274 A CA 0.281 52.346 52.037 0.048 0.000 0.755 274 A CB -0.519 18.262 19.000 -0.365 0.000 0.980 274 A HN 0.611 nan 8.150 nan 0.000 0.506 275 G N 0.416 109.275 108.800 0.098 0.000 2.543 275 G HA2 0.477 4.437 3.960 -0.000 0.000 0.267 275 G HA3 0.477 4.437 3.960 -0.000 0.000 0.267 275 G C 0.236 175.185 174.900 0.082 0.000 1.406 275 G CA -0.791 44.361 45.100 0.086 0.000 1.048 275 G HN 0.924 nan 8.290 nan 0.000 0.548 276 I N -0.162 120.396 120.570 -0.020 0.000 2.754 276 I HA 0.324 4.494 4.170 -0.000 0.000 0.285 276 I C 1.590 177.666 176.117 -0.068 0.000 1.166 276 I CA 1.631 62.882 61.300 -0.083 0.000 1.417 276 I CB 0.878 38.821 38.000 -0.096 0.000 1.382 276 I HN 0.998 nan 8.210 nan 0.000 0.588 277 G N 3.455 112.211 108.800 -0.073 0.000 2.189 277 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.267 277 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.267 277 G C 0.362 175.292 174.900 0.048 0.000 0.975 277 G CA 0.603 45.664 45.100 -0.065 0.000 0.644 277 G HN 0.971 nan 8.290 nan 0.000 0.537 278 T N -1.213 113.327 114.554 -0.024 0.000 2.909 278 T HA 0.761 5.111 4.350 -0.000 0.000 0.289 278 T C -0.357 174.181 174.700 -0.271 0.000 1.005 278 T CA -0.599 61.346 62.100 -0.258 0.000 1.084 278 T CB 2.412 70.906 68.868 -0.623 0.000 0.975 278 T HN 0.548 nan 8.240 nan 0.000 0.509 279 L N 2.502 123.499 121.223 -0.377 0.000 2.393 279 L HA 0.806 5.146 4.340 -0.000 0.000 0.260 279 L C -0.383 176.333 176.870 -0.258 0.000 1.002 279 L CA -0.903 53.765 54.840 -0.287 0.000 0.818 279 L CB 2.218 44.098 42.059 -0.299 0.000 1.369 279 L HN 1.090 nan 8.230 nan 0.000 0.412 280 M N 1.066 120.645 119.600 -0.035 0.000 2.578 280 M HA 0.688 5.168 4.480 -0.000 0.000 0.276 280 M C -2.941 173.526 176.300 0.277 0.000 1.245 280 M CA -1.622 53.770 55.300 0.152 0.000 0.871 280 M CB 2.567 35.248 32.600 0.135 0.000 1.722 280 M HN 0.214 nan 8.290 nan 0.000 0.473 281 P HA 0.066 nan 4.420 nan 0.000 0.266 281 P C -1.128 176.187 177.300 0.025 0.000 1.195 281 P CA 0.292 63.443 63.100 0.084 0.000 0.768 281 P CB 0.368 32.080 31.700 0.021 0.000 0.838 282 R N 3.706 124.179 120.500 -0.045 0.000 2.491 282 R HA 0.289 4.629 4.340 -0.000 0.000 0.283 282 R C -2.084 174.146 176.300 -0.116 0.000 1.072 282 R CA -1.445 54.605 56.100 -0.085 0.000 1.048 282 R CB -0.577 29.651 30.300 -0.119 0.000 0.983 282 R HN 0.411 nan 8.270 nan 0.000 0.450 283 P HA 0.158 nan 4.420 nan 0.000 0.288 283 P C -0.968 176.187 177.300 -0.242 0.000 1.267 283 P CA -0.540 62.489 63.100 -0.120 0.000 0.815 283 P CB 1.338 33.040 31.700 0.003 0.000 0.989 284 V N 0.184 120.048 119.914 -0.084 0.000 2.971 284 V HA 0.543 4.663 4.120 -0.000 0.000 0.309 284 V C -0.612 175.511 176.094 0.048 0.000 1.130 284 V CA -1.080 61.194 62.300 -0.044 0.000 0.964 284 V CB 2.077 33.867 31.823 -0.056 0.000 1.029 284 V HN 0.140 nan 8.190 nan 0.000 0.427 285 V N 2.893 122.864 119.914 0.094 0.000 2.364 285 V HA 0.378 4.498 4.120 -0.000 0.000 0.272 285 V C 0.210 176.351 176.094 0.078 0.000 1.036 285 V CA -0.040 62.317 62.300 0.094 0.000 0.880 285 V CB 1.028 32.936 31.823 0.140 0.000 0.991 285 V HN 1.030 nan 8.190 nan 0.000 0.460 286 Q N 4.963 124.794 119.800 0.051 0.000 2.337 286 Q HA 0.536 4.876 4.340 -0.000 0.000 0.255 286 Q C -1.213 174.873 176.000 0.142 0.000 0.997 286 Q CA -0.114 55.741 55.803 0.086 0.000 0.925 286 Q CB 0.734 29.513 28.738 0.068 0.000 1.212 286 Q HN 0.667 nan 8.270 nan 0.000 0.436 287 L N 5.016 126.333 121.223 0.157 0.000 2.362 287 L HA 0.522 4.862 4.340 -0.000 0.000 0.275 287 L C -0.553 176.427 176.870 0.183 0.000 0.998 287 L CA -0.715 54.239 54.840 0.190 0.000 0.820 287 L CB 1.456 43.615 42.059 0.166 0.000 1.270 287 L HN 0.529 nan 8.230 nan 0.000 0.415 288 L N 1.219 122.579 121.223 0.228 0.000 2.397 288 L HA 0.392 4.732 4.340 -0.000 0.000 0.266 288 L C 0.024 177.005 176.870 0.185 0.000 1.040 288 L CA -0.587 54.364 54.840 0.185 0.000 0.800 288 L CB 1.082 43.250 42.059 0.181 0.000 1.324 288 L HN 0.513 nan 8.230 nan 0.000 0.469 289 D N -0.713 119.763 120.400 0.126 0.000 2.767 289 D HA 0.019 4.659 4.640 -0.000 0.000 0.241 289 D C 0.918 177.301 176.300 0.138 0.000 1.187 289 D CA -0.241 53.835 54.000 0.126 0.000 0.999 289 D CB -0.101 40.739 40.800 0.066 0.000 1.042 289 D HN 0.409 nan 8.370 nan 0.000 0.510 290 Y N 2.426 122.770 120.300 0.073 0.000 2.100 290 Y HA -0.413 4.137 4.550 -0.000 0.000 0.267 290 Y C 1.499 177.431 175.900 0.052 0.000 1.250 290 Y CA 2.414 60.538 58.100 0.039 0.000 1.105 290 Y CB -0.175 38.390 38.460 0.176 0.000 0.924 290 Y HN 0.246 nan 8.280 nan 0.000 0.508 291 D N 0.337 120.728 120.400 -0.015 0.000 2.244 291 D HA -0.258 4.382 4.640 -0.000 0.000 0.197 291 D C 2.210 178.496 176.300 -0.024 0.000 1.006 291 D CA 1.921 55.894 54.000 -0.044 0.000 0.888 291 D CB -0.384 40.455 40.800 0.065 0.000 0.912 291 D HN 0.498 nan 8.370 nan 0.000 0.452 292 L N 0.499 121.698 121.223 -0.039 0.000 2.191 292 L HA -0.147 4.192 4.340 -0.000 0.000 0.212 292 L C 2.562 179.379 176.870 -0.088 0.000 1.103 292 L CA 0.268 55.114 54.840 0.010 0.000 0.769 292 L CB -0.345 41.737 42.059 0.039 0.000 0.908 292 L HN -0.058 nan 8.230 nan 0.000 0.438 293 V N -0.747 118.990 119.914 -0.296 0.000 2.317 293 V HA -0.330 3.790 4.120 -0.000 0.000 0.251 293 V C 1.739 177.613 176.094 -0.368 0.000 1.065 293 V CA 1.907 63.936 62.300 -0.453 0.000 1.049 293 V CB -0.884 30.463 31.823 -0.794 0.000 0.651 293 V HN 0.415 nan 8.190 nan 0.000 0.450 294 Y N -1.391 118.849 120.300 -0.100 0.000 2.488 294 Y HA 0.140 4.690 4.550 -0.000 0.000 0.319 294 Y C 2.027 178.042 175.900 0.191 0.000 1.212 294 Y CA 0.240 58.373 58.100 0.056 0.000 1.273 294 Y CB -0.358 38.096 38.460 -0.010 0.000 1.074 294 Y HN 0.196 nan 8.280 nan 0.000 0.503 295 M N -1.264 118.474 119.600 0.230 0.000 2.492 295 M HA 0.110 4.590 4.480 -0.000 0.000 0.255 295 M C 0.552 176.967 176.300 0.192 0.000 1.139 295 M CA 0.445 55.914 55.300 0.281 0.000 1.096 295 M CB 0.191 32.983 32.600 0.319 0.000 1.360 295 M HN 0.121 nan 8.290 nan 0.000 0.480 296 S N 1.612 117.275 115.700 -0.062 0.000 2.647 296 S HA 0.398 4.868 4.470 -0.000 0.000 0.300 296 S C -1.945 172.241 174.600 -0.690 0.000 1.129 296 S CA -1.442 56.544 58.200 -0.356 0.000 1.029 296 S CB 1.941 64.918 63.200 -0.371 0.000 1.007 296 S HN -0.061 nan 8.310 nan 0.000 0.484 297 P HA -0.162 nan 4.420 nan 0.000 0.216 297 P C 1.629 178.495 177.300 -0.724 0.000 1.150 297 P CA 0.853 62.992 63.100 -1.602 0.000 0.843 297 P CB 0.143 30.800 31.700 -1.738 0.000 0.787 298 L N -0.340 120.560 121.223 -0.537 0.000 1.988 298 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 298 L C 2.702 179.402 176.870 -0.282 0.000 1.071 298 L CA 2.094 56.710 54.840 -0.373 0.000 0.744 298 L CB -1.074 40.739 42.059 -0.409 0.000 0.893 298 L HN -0.076 nan 8.230 nan 0.000 0.433 299 A N -0.096 122.584 122.820 -0.234 0.000 1.903 299 A HA -0.321 3.999 4.320 -0.000 0.000 0.219 299 A C 2.195 179.656 177.584 -0.204 0.000 1.191 299 A CA 2.404 54.345 52.037 -0.160 0.000 0.638 299 A CB -1.142 17.767 19.000 -0.152 0.000 0.823 299 A HN 0.522 nan 8.150 nan 0.000 0.451 300 L N 0.521 121.600 121.223 -0.240 0.000 2.017 300 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 300 L C 2.242 179.040 176.870 -0.120 0.000 1.073 300 L CA 2.525 57.251 54.840 -0.191 0.000 0.745 300 L CB -0.695 41.320 42.059 -0.073 0.000 0.894 300 L HN 0.569 nan 8.230 nan 0.000 0.432 301 N N -0.288 118.332 118.700 -0.134 0.000 2.069 301 N HA -0.246 4.494 4.740 -0.000 0.000 0.191 301 N C 1.611 177.073 175.510 -0.079 0.000 1.031 301 N CA 1.768 54.764 53.050 -0.089 0.000 0.852 301 N CB -0.198 38.214 38.487 -0.124 0.000 1.018 301 N HN 0.417 nan 8.380 nan 0.000 0.423 302 N N 1.146 119.784 118.700 -0.104 0.000 2.043 302 N HA -0.154 4.586 4.740 -0.000 0.000 0.193 302 N C 1.745 177.222 175.510 -0.056 0.000 1.037 302 N CA 0.718 53.721 53.050 -0.078 0.000 0.851 302 N CB -0.756 37.680 38.487 -0.084 0.000 1.027 302 N HN 0.270 nan 8.380 nan 0.000 0.422 303 L N 0.663 121.839 121.223 -0.078 0.000 2.042 303 L HA -0.048 4.292 4.340 -0.000 0.000 0.210 303 L C 1.965 178.832 176.870 -0.006 0.000 1.076 303 L CA 1.856 56.663 54.840 -0.054 0.000 0.749 303 L CB -1.000 40.989 42.059 -0.116 0.000 0.893 303 L HN 0.155 nan 8.230 nan 0.000 0.432 304 A N -1.371 121.446 122.820 -0.006 0.000 1.858 304 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 304 A C 2.512 180.112 177.584 0.025 0.000 1.190 304 A CA 1.933 53.989 52.037 0.032 0.000 0.617 304 A CB -1.348 17.681 19.000 0.050 0.000 0.827 304 A HN 0.548 nan 8.150 nan 0.000 0.443 305 S N -0.659 115.044 115.700 0.005 0.000 2.380 305 S HA -0.286 4.184 4.470 -0.000 0.000 0.229 305 S C 2.217 176.824 174.600 0.012 0.000 1.043 305 S CA 2.195 60.396 58.200 0.002 0.000 1.038 305 S CB -0.345 62.845 63.200 -0.017 0.000 0.872 305 S HN 0.641 nan 8.310 nan 0.000 0.456 306 R N 0.302 120.810 120.500 0.014 0.000 2.062 306 R HA 0.193 4.533 4.340 -0.000 0.000 0.226 306 R C 2.352 178.673 176.300 0.034 0.000 1.125 306 R CA 1.315 57.430 56.100 0.025 0.000 0.966 306 R CB -0.617 29.701 30.300 0.030 0.000 0.861 306 R HN 0.448 nan 8.270 nan 0.000 0.433 307 L N 0.576 121.824 121.223 0.042 0.000 2.081 307 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 307 L C 2.155 179.048 176.870 0.039 0.000 1.080 307 L CA 1.274 56.140 54.840 0.044 0.000 0.754 307 L CB -0.354 41.740 42.059 0.058 0.000 0.893 307 L HN 0.304 nan 8.230 nan 0.000 0.433 308 L N -1.319 119.928 121.223 0.041 0.000 2.240 308 L HA -0.108 4.232 4.340 -0.000 0.000 0.211 308 L C 2.615 179.508 176.870 0.039 0.000 1.106 308 L CA 0.626 55.491 54.840 0.042 0.000 0.793 308 L CB -0.494 41.593 42.059 0.046 0.000 0.927 308 L HN 0.184 nan 8.230 nan 0.000 0.446 309 R N 0.312 120.832 120.500 0.033 0.000 2.127 309 R HA -0.140 4.200 4.340 -0.000 0.000 0.238 309 R C 2.112 178.432 176.300 0.033 0.000 1.134 309 R CA 1.006 57.124 56.100 0.031 0.000 0.975 309 R CB -0.060 30.256 30.300 0.026 0.000 0.865 309 R HN 0.194 nan 8.270 nan 0.000 0.447 310 K N 0.478 120.898 120.400 0.033 0.000 2.296 310 K HA 0.046 4.366 4.320 -0.000 0.000 0.200 310 K C 0.723 177.346 176.600 0.038 0.000 1.048 310 K CA 0.376 56.684 56.287 0.033 0.000 0.966 310 K CB 0.010 32.529 32.500 0.031 0.000 0.754 310 K HN 0.206 nan 8.250 nan 0.000 0.466 311 I N 1.592 122.187 120.570 0.042 0.000 2.752 311 I HA -0.109 4.061 4.170 -0.000 0.000 0.289 311 I C 0.397 176.545 176.117 0.052 0.000 1.197 311 I CA 0.448 61.778 61.300 0.049 0.000 1.432 311 I CB 0.353 38.384 38.000 0.052 0.000 1.359 311 I HN -0.122 nan 8.210 nan 0.000 0.571 312 S N 7.753 123.487 115.700 0.057 0.000 2.620 312 S HA 0.514 4.984 4.470 -0.000 0.000 0.244 312 S C -0.702 173.946 174.600 0.081 0.000 1.192 312 S CA -0.672 57.564 58.200 0.061 0.000 1.148 312 S CB 0.269 63.496 63.200 0.046 0.000 1.106 312 S HN 0.409 nan 8.310 nan 0.000 0.474 313 L N 5.376 126.655 121.223 0.094 0.000 2.334 313 L HA 0.648 4.988 4.340 -0.000 0.000 0.275 313 L C -0.029 176.940 176.870 0.165 0.000 1.036 313 L CA -0.891 54.018 54.840 0.114 0.000 0.807 313 L CB 1.434 43.545 42.059 0.088 0.000 1.231 313 L HN 0.700 nan 8.230 nan 0.000 0.438 314 H N 4.102 123.193 119.070 0.035 0.000 3.181 314 H HA 0.467 5.023 4.556 -0.000 0.000 0.331 314 H C -2.085 173.260 175.328 0.029 0.000 0.988 314 H CA -0.608 55.459 56.048 0.033 0.000 1.449 314 H CB 1.174 30.955 29.762 0.030 0.000 1.749 314 H HN 0.484 nan 8.280 nan 0.000 0.501 315 L N 3.635 124.727 121.223 -0.219 0.000 2.332 315 L HA 0.570 4.910 4.340 -0.000 0.000 0.269 315 L C -0.233 176.472 176.870 -0.276 0.000 1.016 315 L CA -1.416 53.281 54.840 -0.239 0.000 0.809 315 L CB 2.165 44.167 42.059 -0.096 0.000 1.280 315 L HN 0.346 nan 8.230 nan 0.000 0.447 316 V N 2.200 121.989 119.914 -0.209 0.000 2.409 316 V HA 0.510 4.630 4.120 -0.000 0.000 0.291 316 V C -0.138 175.910 176.094 -0.077 0.000 1.020 316 V CA -0.281 61.942 62.300 -0.129 0.000 0.848 316 V CB 1.586 33.344 31.823 -0.108 0.000 0.990 316 V HN 0.675 nan 8.190 nan 0.000 0.430 317 M N 3.108 122.692 119.600 -0.027 0.000 2.644 317 M HA 0.508 4.988 4.480 -0.000 0.000 0.304 317 M C -0.272 176.055 176.300 0.045 0.000 1.215 317 M CA -0.579 54.708 55.300 -0.023 0.000 0.871 317 M CB 2.665 35.277 32.600 0.020 0.000 1.740 317 M HN 0.579 nan 8.290 nan 0.000 0.464 318 Q N 0.951 120.774 119.800 0.038 0.000 2.500 318 Q HA 0.360 4.700 4.340 -0.000 0.000 0.215 318 Q C -0.559 175.568 176.000 0.212 0.000 1.062 318 Q CA -0.202 55.663 55.803 0.103 0.000 0.996 318 Q CB 0.529 29.320 28.738 0.088 0.000 1.239 318 Q HN 0.496 nan 8.270 nan 0.000 0.578 319 M N 1.511 121.206 119.600 0.159 0.000 2.217 319 M HA -0.034 4.446 4.480 -0.000 0.000 0.352 319 M C 0.980 177.385 176.300 0.176 0.000 1.376 319 M CA 0.213 55.595 55.300 0.136 0.000 1.107 319 M CB 0.806 33.452 32.600 0.077 0.000 1.723 319 M HN 0.583 nan 8.290 nan 0.000 0.461 320 V N 3.018 122.989 119.914 0.094 0.000 2.220 320 V HA -0.303 3.817 4.120 -0.000 0.000 0.246 320 V C 2.339 178.409 176.094 -0.040 0.000 1.049 320 V CA 2.729 64.970 62.300 -0.099 0.000 1.003 320 V CB -1.805 29.800 31.823 -0.362 0.000 0.634 320 V HN 0.986 nan 8.190 nan 0.000 0.444 321 T N -0.062 114.464 114.554 -0.046 0.000 2.751 321 T HA -0.293 4.057 4.350 -0.000 0.000 0.268 321 T C 1.863 176.561 174.700 -0.002 0.000 1.045 321 T CA 1.894 63.975 62.100 -0.032 0.000 1.142 321 T CB -0.718 68.136 68.868 -0.024 0.000 0.851 321 T HN 0.607 nan 8.240 nan 0.000 0.474 322 A N 1.213 124.051 122.820 0.030 0.000 1.855 322 A HA 0.108 4.428 4.320 -0.000 0.000 0.215 322 A C 2.692 180.300 177.584 0.040 0.000 1.191 322 A CA 1.468 53.527 52.037 0.037 0.000 0.613 322 A CB -1.036 17.996 19.000 0.054 0.000 0.829 322 A HN 0.397 nan 8.150 nan 0.000 0.442 323 V N 1.594 121.562 119.914 0.090 0.000 2.287 323 V HA -0.349 3.771 4.120 -0.000 0.000 0.248 323 V C 2.754 178.849 176.094 0.001 0.000 1.053 323 V CA 2.307 64.657 62.300 0.083 0.000 1.027 323 V CB -1.238 30.736 31.823 0.253 0.000 0.646 323 V HN 0.891 nan 8.190 nan 0.000 0.447 324 Q N -0.312 119.486 119.800 -0.003 0.000 2.437 324 Q HA -0.223 4.117 4.340 -0.000 0.000 0.210 324 Q C 1.949 177.918 176.000 -0.052 0.000 0.972 324 Q CA 1.549 57.322 55.803 -0.050 0.000 0.903 324 Q CB -0.276 28.420 28.738 -0.070 0.000 0.967 324 Q HN 0.660 nan 8.270 nan 0.000 0.486 325 Q N 0.271 120.050 119.800 -0.035 0.000 2.259 325 Q HA -0.063 4.277 4.340 -0.000 0.000 0.201 325 Q C 1.230 177.209 176.000 -0.035 0.000 0.938 325 Q CA 0.767 56.551 55.803 -0.032 0.000 0.872 325 Q CB 0.397 29.123 28.738 -0.020 0.000 0.971 325 Q HN 0.431 nan 8.270 nan 0.000 0.494 326 D N 0.942 121.321 120.400 -0.035 0.000 2.075 326 D HA -0.119 4.521 4.640 -0.000 0.000 0.196 326 D C 1.977 178.236 176.300 -0.068 0.000 0.985 326 D CA 0.982 54.959 54.000 -0.038 0.000 0.834 326 D CB -0.154 40.630 40.800 -0.027 0.000 0.987 326 D HN 0.157 nan 8.370 nan 0.000 0.452 327 L N 0.861 122.011 121.223 -0.122 0.000 2.127 327 L HA -0.131 4.209 4.340 -0.000 0.000 0.211 327 L C 2.527 179.334 176.870 -0.105 0.000 1.089 327 L CA 1.218 55.955 54.840 -0.172 0.000 0.757 327 L CB -0.781 41.083 42.059 -0.325 0.000 0.899 327 L HN 0.092 nan 8.230 nan 0.000 0.434 328 G N -0.142 108.608 108.800 -0.082 0.000 2.514 328 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 328 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 328 G C 1.387 176.260 174.900 -0.046 0.000 1.198 328 G CA 0.839 45.904 45.100 -0.059 0.000 0.780 328 G HN 0.408 nan 8.290 nan 0.000 0.565 329 E N -0.065 120.111 120.200 -0.039 0.000 2.038 329 E HA -0.135 4.215 4.350 -0.000 0.000 0.195 329 E C 2.792 179.375 176.600 -0.030 0.000 1.000 329 E CA 1.318 57.700 56.400 -0.030 0.000 0.803 329 E CB -0.319 29.367 29.700 -0.023 0.000 0.750 329 E HN 0.280 nan 8.360 nan 0.000 0.448 330 V N 1.189 121.084 119.914 -0.032 0.000 2.363 330 V HA -0.294 3.826 4.120 -0.000 0.000 0.254 330 V C 2.350 178.427 176.094 -0.029 0.000 1.074 330 V CA 1.635 63.919 62.300 -0.026 0.000 1.069 330 V CB -0.708 31.099 31.823 -0.026 0.000 0.659 330 V HN 0.121 nan 8.190 nan 0.000 0.455 331 V N -0.357 119.537 119.914 -0.035 0.000 2.255 331 V HA -0.191 3.929 4.120 -0.000 0.000 0.243 331 V C 2.534 178.607 176.094 -0.036 0.000 1.038 331 V CA 2.183 64.462 62.300 -0.035 0.000 1.008 331 V CB -0.675 31.129 31.823 -0.033 0.000 0.645 331 V HN 0.554 nan 8.190 nan 0.000 0.449 332 S N -0.168 115.513 115.700 -0.033 0.000 2.365 332 S HA -0.222 4.248 4.470 -0.000 0.000 0.225 332 S C 1.982 176.566 174.600 -0.027 0.000 1.039 332 S CA 1.703 59.885 58.200 -0.029 0.000 1.033 332 S CB -0.459 62.725 63.200 -0.026 0.000 0.887 332 S HN 0.362 nan 8.310 nan 0.000 0.447 333 V N 1.905 121.805 119.914 -0.025 0.000 2.626 333 V HA -0.087 4.033 4.120 -0.000 0.000 0.252 333 V C 2.086 178.165 176.094 -0.024 0.000 1.067 333 V CA 1.982 64.269 62.300 -0.021 0.000 1.081 333 V CB -0.275 31.538 31.823 -0.017 0.000 0.686 333 V HN 0.691 nan 8.190 nan 0.000 0.468 334 S N -2.125 113.557 115.700 -0.031 0.000 2.512 334 S HA 0.236 4.706 4.470 -0.000 0.000 0.216 334 S C 0.856 175.426 174.600 -0.051 0.000 1.006 334 S CA 0.002 58.179 58.200 -0.039 0.000 0.915 334 S CB 0.217 63.391 63.200 -0.044 0.000 0.824 334 S HN 0.406 nan 8.310 nan 0.000 0.497 335 S N 2.857 118.527 115.700 -0.050 0.000 2.562 335 S HA 0.399 4.869 4.470 -0.000 0.000 0.275 335 S C 0.567 175.141 174.600 -0.043 0.000 1.281 335 S CA -0.767 57.399 58.200 -0.056 0.000 1.045 335 S CB 0.985 64.153 63.200 -0.054 0.000 0.962 335 S HN 0.375 nan 8.310 nan 0.000 0.503 336 N N 0.765 119.439 118.700 -0.044 0.000 2.392 336 N HA 0.075 4.815 4.740 -0.000 0.000 0.177 336 N C -0.206 175.288 175.510 -0.027 0.000 1.066 336 N CA 0.495 53.526 53.050 -0.032 0.000 0.895 336 N CB 0.440 38.909 38.487 -0.029 0.000 0.988 336 N HN 0.515 nan 8.380 nan 0.000 0.457 337 V N -1.551 118.345 119.914 -0.030 0.000 2.775 337 V HA 0.207 4.327 4.120 -0.000 0.000 0.295 337 V C -0.125 175.953 176.094 -0.026 0.000 1.226 337 V CA -1.444 60.841 62.300 -0.025 0.000 0.934 337 V CB 0.561 32.372 31.823 -0.020 0.000 1.056 337 V HN 0.203 nan 8.190 nan 0.000 0.436 338 T N 0.626 115.166 114.554 -0.024 0.000 2.378 338 T HA -0.227 4.123 4.350 -0.000 0.000 0.349 338 T C 0.149 174.834 174.700 -0.025 0.000 1.096 338 T CA 1.108 63.193 62.100 -0.024 0.000 3.695 338 T CB -0.976 67.879 68.868 -0.021 0.000 0.700 338 T HN 1.205 nan 8.240 nan 0.000 0.241 339 N N 5.358 124.042 118.700 -0.028 0.000 2.430 339 N HA 0.179 4.919 4.740 -0.000 0.000 0.265 339 N C -0.636 174.862 175.510 -0.019 0.000 1.100 339 N CA -2.440 50.595 53.050 -0.025 0.000 0.961 339 N CB 1.395 39.863 38.487 -0.030 0.000 1.075 339 N HN 0.370 nan 8.380 nan 0.000 0.478 340 P HA -0.103 nan 4.420 nan 0.000 0.229 340 P C 0.605 177.884 177.300 -0.035 0.000 1.150 340 P CA 0.647 63.734 63.100 -0.021 0.000 0.765 340 P CB 0.268 31.960 31.700 -0.013 0.000 0.783 341 A N 1.138 123.943 122.820 -0.025 0.000 1.970 341 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 341 A C 2.377 179.930 177.584 -0.051 0.000 1.170 341 A CA 1.555 53.560 52.037 -0.054 0.000 0.645 341 A CB -1.312 17.691 19.000 0.004 0.000 0.816 341 A HN 0.367 nan 8.150 nan 0.000 0.447 342 S N 0.290 115.968 115.700 -0.036 0.000 2.465 342 S HA 0.013 4.483 4.470 -0.000 0.000 0.241 342 S C 1.855 176.427 174.600 -0.046 0.000 1.000 342 S CA 1.129 59.304 58.200 -0.041 0.000 0.964 342 S CB -0.483 62.696 63.200 -0.036 0.000 0.763 342 S HN 0.783 nan 8.310 nan 0.000 0.512 343 A N 0.986 123.778 122.820 -0.048 0.000 1.897 343 A HA 0.014 4.334 4.320 -0.000 0.000 0.215 343 A C 2.431 179.983 177.584 -0.054 0.000 1.181 343 A CA 1.180 53.188 52.037 -0.049 0.000 0.620 343 A CB -1.377 17.595 19.000 -0.047 0.000 0.821 343 A HN 0.684 nan 8.150 nan 0.000 0.443 344 C N -0.405 118.857 119.300 -0.063 0.000 2.425 344 C HA -0.060 4.400 4.460 -0.000 0.000 0.277 344 C C 2.578 177.541 174.990 -0.045 0.000 1.280 344 C CA 0.847 59.829 59.018 -0.061 0.000 1.744 344 C CB -1.579 26.108 27.740 -0.089 0.000 1.989 344 C HN 0.610 nan 8.230 nan 0.000 0.491 345 L N 0.707 121.901 121.223 -0.049 0.000 2.043 345 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 345 L C 2.536 179.371 176.870 -0.059 0.000 1.075 345 L CA 1.422 56.234 54.840 -0.047 0.000 0.752 345 L CB -0.660 41.361 42.059 -0.063 0.000 0.891 345 L HN 0.266 nan 8.230 nan 0.000 0.432 346 V N -0.507 119.370 119.914 -0.061 0.000 2.453 346 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 346 V C 2.524 178.571 176.094 -0.078 0.000 1.048 346 V CA 1.688 63.947 62.300 -0.069 0.000 1.049 346 V CB -0.778 31.011 31.823 -0.058 0.000 0.672 346 V HN 0.468 nan 8.190 nan 0.000 0.457 347 R N 0.033 120.494 120.500 -0.065 0.000 2.193 347 R HA -0.061 4.279 4.340 -0.000 0.000 0.229 347 R C 1.166 177.419 176.300 -0.079 0.000 1.110 347 R CA 0.573 56.635 56.100 -0.063 0.000 0.988 347 R CB -0.249 30.023 30.300 -0.048 0.000 0.871 347 R HN 0.393 nan 8.270 nan 0.000 0.458 348 M N 1.879 121.425 119.600 -0.089 0.000 2.234 348 M HA -0.115 4.365 4.480 -0.000 0.000 0.326 348 M C -0.353 175.791 176.300 -0.261 0.000 1.077 348 M CA 1.026 56.242 55.300 -0.139 0.000 1.052 348 M CB 0.112 32.607 32.600 -0.175 0.000 1.607 348 M HN 0.331 nan 8.290 nan 0.000 0.445 349 N N -0.519 118.012 118.700 -0.281 0.000 2.636 349 N HA 0.317 5.057 4.740 -0.000 0.000 0.261 349 N C -0.458 174.957 175.510 -0.158 0.000 1.195 349 N CA -0.949 51.946 53.050 -0.259 0.000 0.902 349 N CB 0.893 39.307 38.487 -0.122 0.000 1.627 349 N HN 0.189 nan 8.380 nan 0.000 0.491 350 V N 0.728 120.572 119.914 -0.117 0.000 2.261 350 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 350 V C 2.539 178.687 176.094 0.091 0.000 1.047 350 V CA 2.211 64.568 62.300 0.095 0.000 1.015 350 V CB -0.886 30.992 31.823 0.091 0.000 0.642 350 V HN 0.910 nan 8.190 nan 0.000 0.446 351 Q N 0.265 120.087 119.800 0.036 0.000 2.217 351 Q HA -0.234 4.106 4.340 -0.000 0.000 0.209 351 Q C 2.126 178.151 176.000 0.041 0.000 0.988 351 Q CA 2.215 58.038 55.803 0.034 0.000 0.878 351 Q CB -0.429 28.316 28.738 0.011 0.000 0.909 351 Q HN 0.686 nan 8.270 nan 0.000 0.424 352 G N -0.148 108.675 108.800 0.039 0.000 2.394 352 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.214 352 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.214 352 G C 1.432 176.369 174.900 0.061 0.000 1.176 352 G CA 0.764 45.886 45.100 0.036 0.000 0.786 352 G HN 0.283 nan 8.290 nan 0.000 0.533 353 V N 0.772 120.750 119.914 0.107 0.000 2.278 353 V HA -0.313 3.807 4.120 -0.000 0.000 0.251 353 V C 2.791 178.936 176.094 0.085 0.000 1.062 353 V CA 2.487 64.852 62.300 0.108 0.000 1.038 353 V CB -0.650 31.262 31.823 0.148 0.000 0.646 353 V HN 0.403 nan 8.190 nan 0.000 0.447 354 Q N 0.216 120.065 119.800 0.083 0.000 1.967 354 Q HA -0.237 4.103 4.340 -0.000 0.000 0.210 354 Q C 2.300 178.349 176.000 0.082 0.000 1.005 354 Q CA 3.067 58.915 55.803 0.074 0.000 0.862 354 Q CB -0.990 27.789 28.738 0.068 0.000 0.939 354 Q HN 0.667 nan 8.270 nan 0.000 0.417 355 T N 1.019 115.616 114.554 0.072 0.000 2.620 355 T HA -0.251 4.099 4.350 -0.000 0.000 0.267 355 T C 1.658 176.427 174.700 0.115 0.000 1.044 355 T CA 1.638 63.783 62.100 0.075 0.000 1.161 355 T CB -0.682 68.209 68.868 0.037 0.000 0.862 355 T HN 0.294 nan 8.240 nan 0.000 0.438 356 L N 1.105 122.389 121.223 0.101 0.000 2.042 356 L HA -0.059 4.281 4.340 -0.000 0.000 0.210 356 L C 2.619 179.640 176.870 0.251 0.000 1.076 356 L CA 2.063 57.001 54.840 0.163 0.000 0.749 356 L CB -0.977 41.144 42.059 0.103 0.000 0.893 356 L HN 0.271 nan 8.230 nan 0.000 0.432 357 A N -1.278 121.641 122.820 0.165 0.000 1.877 357 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 357 A C 2.258 179.931 177.584 0.148 0.000 1.186 357 A CA 2.002 54.121 52.037 0.137 0.000 0.620 357 A CB -1.168 17.882 19.000 0.082 0.000 0.822 357 A HN 0.290 nan 8.150 nan 0.000 0.443 358 V N -0.819 119.183 119.914 0.147 0.000 2.324 358 V HA -0.289 3.831 4.120 -0.000 0.000 0.250 358 V C 2.264 178.465 176.094 0.179 0.000 1.060 358 V CA 2.315 64.698 62.300 0.138 0.000 1.042 358 V CB -1.056 30.844 31.823 0.128 0.000 0.650 358 V HN 0.626 nan 8.190 nan 0.000 0.450 359 F N 0.858 120.856 119.950 0.080 0.000 2.025 359 F HA -0.240 4.287 4.527 -0.000 0.000 0.297 359 F C 2.203 178.061 175.800 0.096 0.000 1.132 359 F CA 1.900 59.957 58.000 0.095 0.000 1.191 359 F CB -0.603 38.474 39.000 0.129 0.000 0.963 359 F HN 0.061 nan 8.300 nan 0.000 0.481 360 I N 0.557 121.181 120.570 0.089 0.000 2.143 360 I HA -0.433 3.737 4.170 -0.000 0.000 0.245 360 I C 2.700 178.758 176.117 -0.099 0.000 1.068 360 I CA 1.527 62.783 61.300 -0.074 0.000 1.326 360 I CB -1.214 36.830 38.000 0.074 0.000 1.028 360 I HN 0.349 nan 8.210 nan 0.000 0.412 361 A N 1.151 123.965 122.820 -0.010 0.000 1.851 361 A HA -0.306 4.014 4.320 -0.000 0.000 0.216 361 A C 2.327 179.894 177.584 -0.028 0.000 1.195 361 A CA 2.266 54.305 52.037 0.003 0.000 0.622 361 A CB -1.026 18.000 19.000 0.043 0.000 0.831 361 A HN 0.675 nan 8.150 nan 0.000 0.444 362 Q N -0.874 118.904 119.800 -0.037 0.000 2.170 362 Q HA -0.085 4.255 4.340 -0.000 0.000 0.203 362 Q C 1.732 177.681 176.000 -0.085 0.000 0.976 362 Q CA 1.712 57.495 55.803 -0.034 0.000 0.858 362 Q CB -0.544 28.197 28.738 0.005 0.000 0.907 362 Q HN 0.436 nan 8.270 nan 0.000 0.433 363 S N 0.126 115.692 115.700 -0.224 0.000 2.584 363 S HA -0.042 4.428 4.470 -0.000 0.000 0.240 363 S C 1.310 175.840 174.600 -0.116 0.000 0.975 363 S CA 1.042 59.090 58.200 -0.254 0.000 0.949 363 S CB -0.058 62.830 63.200 -0.520 0.000 0.761 363 S HN 0.308 nan 8.310 nan 0.000 0.536 364 M N 0.243 119.801 119.600 -0.070 0.000 2.514 364 M HA 0.362 4.842 4.480 -0.000 0.000 0.258 364 M C 1.386 177.696 176.300 0.017 0.000 1.159 364 M CA 0.659 55.946 55.300 -0.021 0.000 1.116 364 M CB -0.215 32.377 32.600 -0.014 0.000 1.333 364 M HN 0.200 nan 8.290 nan 0.000 0.487 365 L N -0.400 120.836 121.223 0.022 0.000 2.046 365 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 365 L C 0.636 177.546 176.870 0.066 0.000 1.077 365 L CA 0.822 55.687 54.840 0.040 0.000 0.747 365 L CB -0.297 41.786 42.059 0.040 0.000 0.896 365 L HN 0.340 nan 8.230 nan 0.000 0.432 366 N N -1.334 117.421 118.700 0.092 0.000 2.999 366 N HA 0.062 4.802 4.740 -0.000 0.000 0.244 366 N C -2.358 173.256 175.510 0.174 0.000 1.106 366 N CA -0.893 52.248 53.050 0.152 0.000 1.018 366 N CB 1.477 40.081 38.487 0.195 0.000 1.600 366 N HN -0.277 nan 8.380 nan 0.000 0.621 367 P HA -0.071 nan 4.420 nan 0.000 0.223 367 P C -0.017 177.457 177.300 0.289 0.000 1.144 367 P CA 1.083 64.319 63.100 0.225 0.000 0.783 367 P CB 0.372 32.230 31.700 0.263 0.000 0.771 368 N N -0.048 118.827 118.700 0.293 0.000 2.235 368 N HA 0.113 4.853 4.740 -0.000 0.000 0.209 368 N C 1.582 177.290 175.510 0.330 0.000 1.122 368 N CA 0.108 53.337 53.050 0.298 0.000 0.845 368 N CB 0.244 38.880 38.487 0.249 0.000 1.004 368 N HN 0.413 nan 8.380 nan 0.000 0.499 369 I N -2.652 118.084 120.570 0.277 0.000 4.035 369 I HA 0.248 4.418 4.170 -0.000 0.000 0.321 369 I C 0.312 176.570 176.117 0.235 0.000 1.289 369 I CA -0.070 61.370 61.300 0.233 0.000 1.236 369 I CB 0.410 38.512 38.000 0.171 0.000 1.076 369 I HN -0.077 nan 8.210 nan 0.000 0.418 370 S N 0.484 116.338 115.700 0.256 0.000 2.570 370 S HA 0.659 5.129 4.470 -0.000 0.000 0.270 370 S C -0.939 173.900 174.600 0.399 0.000 1.149 370 S CA -0.584 57.793 58.200 0.295 0.000 0.837 370 S CB 1.846 65.163 63.200 0.194 0.000 1.124 370 S HN 0.464 nan 8.310 nan 0.000 0.465 371 Y N -0.891 119.569 120.300 0.266 0.000 2.644 371 Y HA 0.928 5.478 4.550 -0.000 0.000 0.338 371 Y C -0.322 175.825 175.900 0.412 0.000 1.119 371 Y CA -0.870 57.414 58.100 0.306 0.000 1.060 371 Y CB 0.888 39.492 38.460 0.240 0.000 1.294 371 Y HN 1.063 nan 8.280 nan 0.000 0.472 372 G N 0.976 110.041 108.800 0.442 0.000 2.605 372 G HA2 0.565 4.525 3.960 -0.000 0.000 0.296 372 G HA3 0.565 4.525 3.960 -0.000 0.000 0.296 372 G C -2.138 172.821 174.900 0.099 0.000 1.304 372 G CA -1.256 43.904 45.100 0.100 0.000 0.941 372 G HN 0.859 nan 8.290 nan 0.000 0.475 373 M N 1.993 121.552 119.600 -0.069 0.000 2.181 373 M HA 0.497 4.977 4.480 -0.000 0.000 0.323 373 M C -0.829 175.441 176.300 -0.051 0.000 1.004 373 M CA -0.844 54.459 55.300 0.005 0.000 0.941 373 M CB 1.025 33.617 32.600 -0.013 0.000 1.579 373 M HN 0.230 nan 8.290 nan 0.000 0.427 374 I N 2.995 123.575 120.570 0.016 0.000 2.588 374 I HA 0.160 4.330 4.170 -0.000 0.000 0.283 374 I C 0.351 176.465 176.117 -0.004 0.000 1.119 374 I CA 0.331 61.625 61.300 -0.010 0.000 1.419 374 I CB 1.039 39.092 38.000 0.088 0.000 1.394 374 I HN 0.725 nan 8.210 nan 0.000 0.562 375 S N 3.665 119.348 115.700 -0.028 0.000 2.549 375 S HA 0.664 5.134 4.470 -0.000 0.000 0.297 375 S C 0.573 175.204 174.600 0.052 0.000 1.115 375 S CA 0.266 58.462 58.200 -0.007 0.000 1.059 375 S CB 1.479 64.654 63.200 -0.042 0.000 1.046 375 S HN 1.109 nan 8.310 nan 0.000 0.506 376 G N 2.762 111.554 108.800 -0.014 0.000 2.149 376 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.235 376 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.235 376 G C 0.085 174.833 174.900 -0.255 0.000 1.018 376 G CA 0.153 45.178 45.100 -0.125 0.000 0.728 376 G HN 0.780 nan 8.290 nan 0.000 0.508 377 L N 2.507 123.683 121.223 -0.079 0.000 2.727 377 L HA 0.194 4.534 4.340 -0.000 0.000 0.237 377 L C 1.793 178.611 176.870 -0.087 0.000 1.370 377 L CA 0.385 55.194 54.840 -0.051 0.000 1.248 377 L CB -0.810 41.293 42.059 0.073 0.000 1.556 377 L HN 0.543 nan 8.230 nan 0.000 0.420 378 T N -3.484 110.959 114.554 -0.185 0.000 2.748 378 T HA 0.048 4.398 4.350 -0.000 0.000 0.304 378 T C 1.205 175.847 174.700 -0.097 0.000 1.041 378 T CA -0.687 61.332 62.100 -0.135 0.000 1.033 378 T CB 1.522 70.292 68.868 -0.163 0.000 0.995 378 T HN 0.135 nan 8.240 nan 0.000 0.536 379 L N 1.280 122.443 121.223 -0.100 0.000 1.952 379 L HA -0.065 4.275 4.340 -0.000 0.000 0.236 379 L C 1.063 177.900 176.870 -0.056 0.000 1.092 379 L CA 2.454 57.203 54.840 -0.150 0.000 0.817 379 L CB -1.290 40.619 42.059 -0.250 0.000 0.907 379 L HN 1.022 nan 8.230 nan 0.000 0.438 380 D N -1.154 119.258 120.400 0.021 0.000 2.522 380 D HA 0.142 4.782 4.640 -0.000 0.000 0.218 380 D C 1.147 177.487 176.300 0.065 0.000 1.149 380 D CA 0.340 54.454 54.000 0.189 0.000 0.981 380 D CB -0.132 40.847 40.800 0.298 0.000 1.041 380 D HN 0.485 nan 8.370 nan 0.000 0.518 381 C N -0.684 118.621 119.300 0.008 0.000 2.735 381 C HA 0.295 4.755 4.460 -0.000 0.000 0.271 381 C C 1.612 176.521 174.990 -0.135 0.000 1.281 381 C CA -0.602 58.296 59.018 -0.200 0.000 1.719 381 C CB -1.492 25.971 27.740 -0.461 0.000 2.024 381 C HN 0.514 nan 8.230 nan 0.000 0.566 382 F N 2.212 122.146 119.950 -0.027 0.000 2.802 382 F HA 0.109 4.636 4.527 -0.000 0.000 0.300 382 F C 2.244 177.877 175.800 -0.278 0.000 1.168 382 F CA 0.654 58.553 58.000 -0.170 0.000 1.433 382 F CB 0.066 38.823 39.000 -0.405 0.000 1.115 382 F HN 0.176 nan 8.300 nan 0.000 0.582 383 S N -0.733 115.024 115.700 0.095 0.000 2.575 383 S HA -0.017 4.453 4.470 -0.000 0.000 0.215 383 S C 0.654 175.353 174.600 0.165 0.000 0.966 383 S CA -0.008 58.291 58.200 0.165 0.000 0.911 383 S CB -0.339 62.957 63.200 0.160 0.000 0.780 383 S HN 0.218 nan 8.310 nan 0.000 0.514 384 N N 1.441 120.194 118.700 0.088 0.000 2.699 384 N HA 0.128 4.868 4.740 -0.000 0.000 0.232 384 N C 0.696 176.185 175.510 -0.036 0.000 1.027 384 N CA -0.738 52.329 53.050 0.030 0.000 0.920 384 N CB 0.053 38.498 38.487 -0.070 0.000 1.148 384 N HN 0.252 nan 8.380 nan 0.000 0.509 385 F N 3.477 123.365 119.950 -0.103 0.000 2.147 385 F HA -0.205 4.322 4.527 -0.000 0.000 0.301 385 F C 1.409 177.008 175.800 -0.335 0.000 1.084 385 F CA 0.812 58.505 58.000 -0.511 0.000 1.268 385 F CB -0.322 38.338 39.000 -0.568 0.000 1.009 385 F HN 0.208 nan 8.300 nan 0.000 0.486 386 I N 0.344 120.186 120.570 -1.213 0.000 2.099 386 I HA -0.307 3.863 4.170 -0.000 0.000 0.239 386 I C 2.510 178.367 176.117 -0.433 0.000 1.066 386 I CA 1.965 62.744 61.300 -0.868 0.000 1.324 386 I CB -1.622 35.941 38.000 -0.727 0.000 1.037 386 I HN 0.322 nan 8.210 nan 0.000 0.401 387 Y N 1.851 121.918 120.300 -0.388 0.000 2.049 387 Y HA -0.234 4.316 4.550 -0.000 0.000 0.277 387 Y C 2.650 178.395 175.900 -0.258 0.000 1.143 387 Y CA 2.158 60.087 58.100 -0.284 0.000 1.115 387 Y CB -0.915 37.383 38.460 -0.271 0.000 0.975 387 Y HN 0.167 nan 8.280 nan 0.000 0.487 388 G N -0.084 108.691 108.800 -0.042 0.000 2.599 388 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.219 388 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.219 388 G C 1.846 176.807 174.900 0.101 0.000 1.193 388 G CA 1.804 46.902 45.100 -0.004 0.000 0.778 388 G HN 0.687 nan 8.290 nan 0.000 0.589 389 A N -0.427 122.436 122.820 0.072 0.000 1.927 389 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 389 A C 2.654 180.284 177.584 0.077 0.000 1.185 389 A CA 2.125 54.211 52.037 0.082 0.000 0.639 389 A CB -1.072 17.779 19.000 -0.249 0.000 0.820 389 A HN 0.483 nan 8.150 nan 0.000 0.451 390 C N -1.763 117.476 119.300 -0.102 0.000 2.473 390 C HA -0.018 4.442 4.460 -0.000 0.000 0.279 390 C C 2.502 177.476 174.990 -0.028 0.000 1.250 390 C CA 0.995 59.992 59.018 -0.035 0.000 1.713 390 C CB -1.418 26.203 27.740 -0.197 0.000 2.066 390 C HN 0.690 nan 8.230 nan 0.000 0.474 391 L N 0.398 121.485 121.223 -0.227 0.000 2.051 391 L HA -0.202 4.138 4.340 -0.000 0.000 0.214 391 L C 2.365 179.347 176.870 0.187 0.000 1.076 391 L CA 2.097 56.884 54.840 -0.088 0.000 0.758 391 L CB -0.656 41.256 42.059 -0.246 0.000 0.890 391 L HN 0.213 nan 8.230 nan 0.000 0.433 392 M N -1.257 118.465 119.600 0.202 0.000 2.086 392 M HA -0.177 4.303 4.480 -0.000 0.000 0.261 392 M C 2.146 178.556 176.300 0.184 0.000 1.067 392 M CA 1.763 57.209 55.300 0.243 0.000 1.116 392 M CB -0.657 32.116 32.600 0.289 0.000 1.348 392 M HN 0.259 nan 8.290 nan 0.000 0.407 393 L N -1.737 119.602 121.223 0.192 0.000 2.056 393 L HA -0.224 4.116 4.340 -0.000 0.000 0.207 393 L C 2.291 179.253 176.870 0.153 0.000 1.078 393 L CA 0.970 55.900 54.840 0.149 0.000 0.749 393 L CB -0.599 41.559 42.059 0.165 0.000 0.901 393 L HN 0.250 nan 8.230 nan 0.000 0.433 394 F N 0.905 120.880 119.950 0.042 0.000 2.154 394 F HA -0.303 4.224 4.527 -0.000 0.000 0.301 394 F C 2.532 178.394 175.800 0.104 0.000 1.087 394 F CA 1.670 59.702 58.000 0.054 0.000 1.274 394 F CB -0.351 38.674 39.000 0.041 0.000 1.009 394 F HN 0.117 nan 8.300 nan 0.000 0.485 395 Q N -0.485 119.373 119.800 0.096 0.000 2.297 395 Q HA -0.143 4.197 4.340 -0.000 0.000 0.208 395 Q C 2.192 178.162 176.000 -0.051 0.000 0.981 395 Q CA 1.119 56.940 55.803 0.028 0.000 0.876 395 Q CB -0.360 28.372 28.738 -0.010 0.000 0.921 395 Q HN 0.537 nan 8.270 nan 0.000 0.446 396 A N -0.055 122.736 122.820 -0.050 0.000 2.178 396 A HA 0.051 4.371 4.320 -0.000 0.000 0.211 396 A C 1.700 179.232 177.584 -0.088 0.000 1.157 396 A CA 0.303 52.305 52.037 -0.058 0.000 0.780 396 A CB 0.041 19.035 19.000 -0.011 0.000 0.828 396 A HN 0.246 nan 8.150 nan 0.000 0.476 397 L N -0.046 121.098 121.223 -0.133 0.000 2.477 397 L HA 0.301 4.641 4.340 -0.000 0.000 0.220 397 L C 0.630 177.398 176.870 -0.171 0.000 1.106 397 L CA 0.089 54.858 54.840 -0.117 0.000 0.851 397 L CB -0.285 41.703 42.059 -0.119 0.000 0.994 397 L HN 0.501 nan 8.230 nan 0.000 0.462 398 I N -2.917 117.499 120.570 -0.257 0.000 2.693 398 I HA 0.594 4.764 4.170 -0.000 0.000 0.303 398 I C -2.749 173.297 176.117 -0.118 0.000 1.025 398 I CA -2.424 58.736 61.300 -0.234 0.000 1.086 398 I CB 2.181 39.971 38.000 -0.350 0.000 1.268 398 I HN -0.288 nan 8.210 nan 0.000 0.440 399 P HA 0.404 nan 4.420 nan 0.000 0.280 399 P C -2.475 174.766 177.300 -0.098 0.000 1.272 399 P CA -1.787 61.281 63.100 -0.054 0.000 0.819 399 P CB 0.897 32.565 31.700 -0.053 0.000 1.122 400 P HA -0.156 nan 4.420 nan 0.000 0.218 400 P C 1.802 178.919 177.300 -0.306 0.000 1.148 400 P CA 1.838 64.765 63.100 -0.288 0.000 0.822 400 P CB -0.413 31.196 31.700 -0.152 0.000 0.784 401 S N -0.523 115.028 115.700 -0.249 0.000 2.462 401 S HA -0.167 4.303 4.470 -0.000 0.000 0.243 401 S C 1.949 176.529 174.600 -0.034 0.000 1.003 401 S CA 1.189 59.270 58.200 -0.199 0.000 0.970 401 S CB -1.270 61.887 63.200 -0.071 0.000 0.762 401 S HN 0.134 nan 8.310 nan 0.000 0.510 402 A N 0.931 123.714 122.820 -0.062 0.000 2.014 402 A HA 0.420 4.740 4.320 -0.000 0.000 0.218 402 A C 1.054 178.763 177.584 0.208 0.000 1.163 402 A CA 0.460 52.527 52.037 0.050 0.000 0.652 402 A CB -0.280 18.698 19.000 -0.036 0.000 0.808 402 A HN 0.571 nan 8.150 nan 0.000 0.449 403 L N -1.021 120.227 121.223 0.041 0.000 2.313 403 L HA 0.356 4.696 4.340 -0.000 0.000 0.268 403 L C 0.009 176.890 176.870 0.017 0.000 1.010 403 L CA -1.034 53.860 54.840 0.090 0.000 0.814 403 L CB 1.712 43.759 42.059 -0.019 0.000 1.304 403 L HN -0.049 nan 8.230 nan 0.000 0.441 404 T N 0.508 115.095 114.554 0.055 0.000 2.940 404 T HA 0.031 4.381 4.350 -0.000 0.000 0.309 404 T C 1.183 175.767 174.700 -0.192 0.000 1.056 404 T CA 0.198 62.251 62.100 -0.079 0.000 1.137 404 T CB 1.296 70.144 68.868 -0.034 0.000 0.976 404 T HN 0.744 nan 8.240 nan 0.000 0.547 405 A N 2.748 125.317 122.820 -0.418 0.000 2.024 405 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 405 A C 2.332 179.762 177.584 -0.255 0.000 1.164 405 A CA 1.557 53.289 52.037 -0.507 0.000 0.643 405 A CB -0.526 17.737 19.000 -1.228 0.000 0.806 405 A HN 0.860 nan 8.150 nan 0.000 0.451 406 R N -0.549 119.838 120.500 -0.188 0.000 2.055 406 R HA -0.106 4.234 4.340 -0.000 0.000 0.228 406 R C 2.204 178.514 176.300 0.017 0.000 1.143 406 R CA 1.546 57.612 56.100 -0.058 0.000 0.945 406 R CB -0.523 29.758 30.300 -0.032 0.000 0.841 406 R HN 0.613 nan 8.270 nan 0.000 0.429 407 Q N 0.167 119.985 119.800 0.031 0.000 2.135 407 Q HA -0.183 4.157 4.340 -0.000 0.000 0.204 407 Q C 2.262 178.348 176.000 0.143 0.000 0.981 407 Q CA 1.845 57.705 55.803 0.094 0.000 0.856 407 Q CB -0.045 28.756 28.738 0.106 0.000 0.902 407 Q HN 0.341 nan 8.270 nan 0.000 0.425 408 R N 0.225 120.781 120.500 0.093 0.000 2.127 408 R HA -0.122 4.218 4.340 -0.000 0.000 0.238 408 R C 2.217 178.685 176.300 0.280 0.000 1.134 408 R CA 0.940 57.152 56.100 0.188 0.000 0.975 408 R CB -0.228 30.081 30.300 0.015 0.000 0.865 408 R HN 0.262 nan 8.270 nan 0.000 0.447 409 L N 0.309 121.641 121.223 0.181 0.000 2.044 409 L HA -0.168 4.172 4.340 -0.000 0.000 0.205 409 L C 1.481 178.487 176.870 0.227 0.000 1.075 409 L CA 1.503 56.459 54.840 0.194 0.000 0.747 409 L CB -0.225 41.905 42.059 0.118 0.000 0.903 409 L HN 0.162 nan 8.230 nan 0.000 0.435 410 D N 0.269 120.786 120.400 0.195 0.000 2.103 410 D HA -0.258 4.382 4.640 -0.000 0.000 0.190 410 D C 2.245 178.716 176.300 0.285 0.000 0.997 410 D CA 1.974 56.099 54.000 0.209 0.000 0.833 410 D CB -0.264 40.635 40.800 0.165 0.000 0.961 410 D HN 0.376 nan 8.370 nan 0.000 0.447 411 I N 1.025 121.791 120.570 0.326 0.000 2.113 411 I HA -0.372 3.798 4.170 -0.000 0.000 0.242 411 I C 2.011 178.384 176.117 0.427 0.000 1.057 411 I CA 1.216 62.773 61.300 0.428 0.000 1.314 411 I CB -0.417 37.871 38.000 0.480 0.000 1.022 411 I HN -0.002 nan 8.210 nan 0.000 0.408 412 N N 1.047 119.978 118.700 0.385 0.000 2.094 412 N HA -0.184 4.556 4.740 -0.000 0.000 0.191 412 N C 1.515 177.223 175.510 0.329 0.000 1.023 412 N CA 1.364 54.616 53.050 0.337 0.000 0.857 412 N CB -0.494 38.239 38.487 0.411 0.000 1.013 412 N HN 0.351 nan 8.380 nan 0.000 0.426 413 N N 0.342 119.252 118.700 0.351 0.000 2.244 413 N HA -0.050 4.690 4.740 -0.000 0.000 0.183 413 N C 1.461 177.236 175.510 0.442 0.000 1.016 413 N CA 0.610 53.901 53.050 0.401 0.000 0.866 413 N CB -0.036 38.671 38.487 0.366 0.000 0.980 413 N HN 0.161 nan 8.380 nan 0.000 0.430 414 R N 0.295 121.045 120.500 0.416 0.000 2.092 414 R HA 0.010 4.350 4.340 -0.000 0.000 0.231 414 R C 1.921 178.479 176.300 0.431 0.000 1.119 414 R CA 0.356 56.731 56.100 0.459 0.000 0.970 414 R CB -1.306 29.307 30.300 0.521 0.000 0.864 414 R HN 0.283 nan 8.270 nan 0.000 0.440 415 F N 1.388 121.352 119.950 0.023 0.000 2.146 415 F HA -0.080 4.447 4.527 -0.000 0.000 0.298 415 F C 2.138 177.851 175.800 -0.144 0.000 1.096 415 F CA 1.176 58.880 58.000 -0.492 0.000 1.275 415 F CB -0.419 38.094 39.000 -0.812 0.000 1.008 415 F HN 0.053 nan 8.300 nan 0.000 0.480 416 A N -0.329 122.565 122.820 0.124 0.000 1.865 416 A HA -0.287 4.033 4.320 -0.000 0.000 0.217 416 A C 2.142 179.775 177.584 0.082 0.000 1.191 416 A CA 1.880 54.000 52.037 0.139 0.000 0.623 416 A CB -1.793 17.442 19.000 0.392 0.000 0.826 416 A HN 0.575 nan 8.150 nan 0.000 0.444 417 Y N -0.654 119.643 120.300 -0.004 0.000 2.114 417 Y HA -0.274 4.276 4.550 -0.000 0.000 0.282 417 Y C 2.073 177.814 175.900 -0.264 0.000 1.165 417 Y CA 2.078 59.928 58.100 -0.416 0.000 1.148 417 Y CB -0.738 37.486 38.460 -0.393 0.000 0.972 417 Y HN 0.377 nan 8.280 nan 0.000 0.504 418 F N 0.154 119.971 119.950 -0.222 0.000 2.091 418 F HA -0.289 4.238 4.527 -0.000 0.000 0.299 418 F C 1.980 177.534 175.800 -0.411 0.000 1.103 418 F CA 1.853 59.667 58.000 -0.310 0.000 1.228 418 F CB -0.899 37.924 39.000 -0.296 0.000 0.984 418 F HN 0.075 nan 8.300 nan 0.000 0.477 419 L N -0.164 120.677 121.223 -0.637 0.000 1.970 419 L HA -0.288 4.052 4.340 -0.000 0.000 0.212 419 L C 2.593 179.181 176.870 -0.470 0.000 1.071 419 L CA 1.250 55.703 54.840 -0.645 0.000 0.751 419 L CB -0.927 40.822 42.059 -0.518 0.000 0.889 419 L HN 0.164 nan 8.230 nan 0.000 0.432 420 I N 0.262 120.614 120.570 -0.362 0.000 2.208 420 I HA -0.299 3.871 4.170 -0.000 0.000 0.245 420 I C 2.488 178.361 176.117 -0.406 0.000 1.097 420 I CA 1.648 62.768 61.300 -0.300 0.000 1.363 420 I CB -0.885 36.990 38.000 -0.209 0.000 1.051 420 I HN 0.331 nan 8.210 nan 0.000 0.413 421 K N -0.576 119.474 120.400 -0.584 0.000 2.365 421 K HA -0.039 4.281 4.320 -0.000 0.000 0.197 421 K C 1.797 178.110 176.600 -0.479 0.000 1.042 421 K CA 0.756 56.700 56.287 -0.570 0.000 0.987 421 K CB 0.239 32.263 32.500 -0.794 0.000 0.779 421 K HN 0.285 nan 8.250 nan 0.000 0.484 422 C N -1.208 117.727 119.300 -0.609 0.000 3.637 422 C HA 0.279 4.739 4.460 -0.000 0.000 0.439 422 C C 0.693 175.199 174.990 -0.806 0.000 1.443 422 C CA -0.467 58.125 59.018 -0.712 0.000 2.037 422 C CB 0.052 27.222 27.740 -0.951 0.000 2.957 422 C HN 0.455 nan 8.230 nan 0.000 0.669 423 H N 0.065 118.855 119.070 -0.467 0.000 2.649 423 H HA 0.509 5.065 4.556 -0.000 0.000 0.258 423 H C 0.223 175.394 175.328 -0.262 0.000 1.165 423 H CA 0.478 56.312 56.048 -0.356 0.000 1.006 423 H CB 0.477 29.965 29.762 -0.457 0.000 1.743 423 H HN 0.382 nan 8.280 nan 0.000 0.609 424 A N 1.341 124.063 122.820 -0.163 0.000 2.355 424 A HA 0.472 4.792 4.320 -0.000 0.000 0.317 424 A C 0.626 178.150 177.584 -0.099 0.000 1.094 424 A CA -0.640 51.328 52.037 -0.115 0.000 0.764 424 A CB 0.888 19.817 19.000 -0.119 0.000 1.230 424 A HN 0.189 nan 8.150 nan 0.000 0.448 425 T N -0.344 114.170 114.554 -0.066 0.000 2.900 425 T HA 0.110 4.460 4.350 -0.000 0.000 0.307 425 T C 0.974 175.644 174.700 -0.050 0.000 1.065 425 T CA 0.267 62.335 62.100 -0.053 0.000 1.105 425 T CB 0.762 69.608 68.868 -0.037 0.000 0.979 425 T HN 0.738 nan 8.240 nan 0.000 0.544 426 Q N 1.024 120.797 119.800 -0.045 0.000 2.308 426 Q HA -0.187 4.153 4.340 -0.000 0.000 0.209 426 Q C 2.136 178.122 176.000 -0.023 0.000 0.985 426 Q CA 1.557 57.338 55.803 -0.037 0.000 0.881 426 Q CB -0.560 28.159 28.738 -0.031 0.000 0.917 426 Q HN 0.932 nan 8.270 nan 0.000 0.443 427 A N -0.323 122.484 122.820 -0.021 0.000 1.855 427 A HA -0.094 4.226 4.320 -0.000 0.000 0.213 427 A C 2.191 179.770 177.584 -0.009 0.000 1.195 427 A CA 1.531 53.561 52.037 -0.012 0.000 0.610 427 A CB -0.827 18.166 19.000 -0.012 0.000 0.837 427 A HN 0.417 nan 8.150 nan 0.000 0.444 428 T N 0.307 114.853 114.554 -0.014 0.000 2.720 428 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 428 T C 2.004 176.703 174.700 -0.002 0.000 1.037 428 T CA 2.071 64.166 62.100 -0.009 0.000 1.144 428 T CB -0.585 68.272 68.868 -0.018 0.000 0.864 428 T HN 0.579 nan 8.240 nan 0.000 0.444 429 T N 2.149 116.697 114.554 -0.010 0.000 2.614 429 T HA -0.076 4.274 4.350 -0.000 0.000 0.263 429 T C 2.414 177.127 174.700 0.022 0.000 1.055 429 T CA 1.312 63.416 62.100 0.006 0.000 1.162 429 T CB -0.818 68.041 68.868 -0.015 0.000 0.863 429 T HN 0.435 nan 8.240 nan 0.000 0.414 430 A N 1.830 124.657 122.820 0.012 0.000 1.915 430 A HA -0.273 4.047 4.320 -0.000 0.000 0.220 430 A C 2.295 179.889 177.584 0.017 0.000 1.198 430 A CA 2.459 54.506 52.037 0.016 0.000 0.647 430 A CB -0.789 18.216 19.000 0.008 0.000 0.825 430 A HN 0.491 nan 8.150 nan 0.000 0.456 431 R N -0.387 120.120 120.500 0.012 0.000 2.073 431 R HA -0.088 4.252 4.340 -0.000 0.000 0.234 431 R C 2.058 178.365 176.300 0.012 0.000 1.134 431 R CA 1.755 57.861 56.100 0.010 0.000 0.952 431 R CB -0.434 29.871 30.300 0.007 0.000 0.850 431 R HN 0.538 nan 8.270 nan 0.000 0.433 432 L N 0.406 121.641 121.223 0.019 0.000 2.131 432 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 432 L C 2.423 179.303 176.870 0.016 0.000 1.092 432 L CA 0.837 55.690 54.840 0.020 0.000 0.759 432 L CB -0.299 41.785 42.059 0.041 0.000 0.903 432 L HN 0.119 nan 8.230 nan 0.000 0.435 433 V N 0.015 119.950 119.914 0.035 0.000 2.358 433 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 433 V C 2.779 178.883 176.094 0.017 0.000 1.047 433 V CA 1.684 64.009 62.300 0.041 0.000 1.035 433 V CB -0.879 30.984 31.823 0.066 0.000 0.658 433 V HN 0.454 nan 8.190 nan 0.000 0.452 434 A N 0.484 123.313 122.820 0.014 0.000 1.883 434 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 434 A C 1.889 179.471 177.584 -0.003 0.000 1.186 434 A CA 2.176 54.217 52.037 0.008 0.000 0.624 434 A CB -0.873 18.132 19.000 0.008 0.000 0.822 434 A HN 0.682 nan 8.150 nan 0.000 0.444 435 N N 0.374 119.069 118.700 -0.009 0.000 2.501 435 N HA 0.057 4.797 4.740 -0.000 0.000 0.195 435 N C -0.831 174.657 175.510 -0.037 0.000 1.213 435 N CA 0.115 53.155 53.050 -0.018 0.000 0.864 435 N CB -0.095 38.384 38.487 -0.014 0.000 0.999 435 N HN 0.471 nan 8.380 nan 0.000 0.454 436 Q N -0.583 119.189 119.800 -0.047 0.000 2.454 436 Q HA -0.168 4.172 4.340 -0.000 0.000 0.341 436 Q C 0.149 176.065 176.000 -0.141 0.000 1.437 436 Q CA -0.064 55.686 55.803 -0.088 0.000 0.935 436 Q CB -1.566 27.131 28.738 -0.069 0.000 1.164 436 Q HN 0.286 nan 8.270 nan 0.000 0.373 437 V N -1.333 118.492 119.914 -0.148 0.000 2.996 437 V HA 0.156 4.276 4.120 -0.000 0.000 0.235 437 V C 0.635 176.559 176.094 -0.284 0.000 1.205 437 V CA 0.601 62.801 62.300 -0.166 0.000 1.225 437 V CB 0.453 32.235 31.823 -0.068 0.000 0.995 437 V HN 0.330 nan 8.190 nan 0.000 0.484 438 I N -0.346 120.104 120.570 -0.202 0.000 2.525 438 I HA 0.440 4.610 4.170 -0.000 0.000 0.301 438 I C -0.522 175.448 176.117 -0.245 0.000 0.992 438 I CA -1.294 59.886 61.300 -0.200 0.000 1.162 438 I CB 1.286 39.383 38.000 0.162 0.000 1.332 438 I HN 0.100 nan 8.210 nan 0.000 0.458 439 Y N 5.504 125.613 120.300 -0.318 0.000 2.304 439 Y HA 0.372 4.921 4.550 -0.000 0.000 0.327 439 Y C -1.880 174.139 175.900 0.198 0.000 1.209 439 Y CA -2.428 55.564 58.100 -0.179 0.000 1.299 439 Y CB -0.321 37.875 38.460 -0.440 0.000 1.249 439 Y HN 0.439 nan 8.280 nan 0.000 0.519 440 P HA -0.126 nan 4.420 nan 0.000 0.261 440 P C 0.724 178.325 177.300 0.502 0.000 1.165 440 P CA 0.448 63.742 63.100 0.323 0.000 0.759 440 P CB 0.479 32.305 31.700 0.210 0.000 0.772 441 V N 2.145 122.287 119.914 0.381 0.000 2.527 441 V HA -0.252 3.868 4.120 -0.000 0.000 0.255 441 V C 1.455 177.697 176.094 0.247 0.000 1.081 441 V CA 2.387 64.856 62.300 0.281 0.000 1.092 441 V CB -1.275 30.579 31.823 0.051 0.000 0.673 441 V HN 0.641 nan 8.190 nan 0.000 0.470 442 D N 0.475 121.004 120.400 0.215 0.000 2.358 442 D HA 0.229 4.869 4.640 -0.000 0.000 0.224 442 D C 0.960 177.367 176.300 0.179 0.000 1.123 442 D CA 0.593 54.689 54.000 0.160 0.000 0.833 442 D CB 0.083 40.942 40.800 0.099 0.000 0.946 442 D HN 0.426 nan 8.370 nan 0.000 0.505 443 A N 0.572 123.562 122.820 0.284 0.000 3.163 443 A HA 0.304 4.624 4.320 -0.000 0.000 0.283 443 A C 1.342 179.055 177.584 0.214 0.000 1.412 443 A CA -0.490 51.682 52.037 0.226 0.000 1.053 443 A CB -0.751 18.380 19.000 0.218 0.000 1.082 443 A HN 0.059 nan 8.150 nan 0.000 0.639 444 I N 1.510 122.169 120.570 0.149 0.000 2.404 444 I HA -0.465 3.705 4.170 -0.000 0.000 0.236 444 I C 2.535 178.668 176.117 0.026 0.000 0.953 444 I CA 2.565 63.895 61.300 0.050 0.000 1.253 444 I CB -0.552 37.451 38.000 0.006 0.000 0.960 444 I HN 0.769 nan 8.210 nan 0.000 0.402 445 D N 0.081 120.482 120.400 0.001 0.000 2.097 445 D HA -0.263 4.377 4.640 -0.000 0.000 0.195 445 D C 1.912 178.147 176.300 -0.107 0.000 0.989 445 D CA 1.674 55.649 54.000 -0.042 0.000 0.827 445 D CB -0.741 40.035 40.800 -0.039 0.000 0.966 445 D HN 0.587 nan 8.370 nan 0.000 0.456 446 Q N -0.674 119.024 119.800 -0.170 0.000 2.234 446 Q HA -0.132 4.208 4.340 -0.000 0.000 0.206 446 Q C 1.712 177.259 176.000 -0.755 0.000 0.980 446 Q CA 1.218 56.722 55.803 -0.498 0.000 0.869 446 Q CB -0.228 28.177 28.738 -0.556 0.000 0.912 446 Q HN 0.480 nan 8.270 nan 0.000 0.436 447 W N 0.296 121.359 121.300 -0.395 0.000 2.800 447 W HA -0.026 4.634 4.660 -0.000 0.000 0.249 447 W C 1.514 177.922 176.519 -0.184 0.000 1.294 447 W CA 0.485 57.684 57.345 -0.243 0.000 1.402 447 W CB 0.482 29.828 29.460 -0.190 0.000 1.126 447 W HN 0.149 nan 8.180 nan 0.000 0.652 448 Q N -0.507 119.287 119.800 -0.010 0.000 2.247 448 Q HA 0.059 4.399 4.340 -0.000 0.000 0.211 448 Q C 1.378 177.362 176.000 -0.027 0.000 0.861 448 Q CA 0.116 55.919 55.803 -0.002 0.000 0.949 448 Q CB 0.440 29.165 28.738 -0.021 0.000 1.115 448 Q HN 0.069 nan 8.270 nan 0.000 0.507 449 S N 1.341 116.984 115.700 -0.095 0.000 2.640 449 S HA 0.252 4.722 4.470 -0.000 0.000 0.262 449 S C 0.199 174.789 174.600 -0.016 0.000 1.232 449 S CA -0.512 57.646 58.200 -0.071 0.000 0.988 449 S CB 0.690 63.814 63.200 -0.126 0.000 1.034 449 S HN 0.305 nan 8.310 nan 0.000 0.569 450 N N -1.573 117.134 118.700 0.012 0.000 3.201 450 N HA 0.677 5.417 4.740 -0.000 0.000 0.344 450 N C 0.658 176.204 175.510 0.060 0.000 1.465 450 N CA -0.418 52.662 53.050 0.050 0.000 0.731 450 N CB -0.120 38.398 38.487 0.052 0.000 1.677 450 N HN 1.476 nan 8.380 nan 0.000 0.631 451 G N -1.520 107.321 108.800 0.069 0.000 2.157 451 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.239 451 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.239 451 G C -0.540 174.407 174.900 0.077 0.000 0.982 451 G CA 0.063 45.203 45.100 0.067 0.000 0.650 451 G HN 0.689 nan 8.290 nan 0.000 0.527 452 R N 0.219 120.779 120.500 0.099 0.000 2.531 452 R HA 0.202 4.542 4.340 -0.000 0.000 0.293 452 R C -1.564 174.808 176.300 0.120 0.000 1.124 452 R CA -0.847 55.310 56.100 0.094 0.000 0.945 452 R CB 1.106 31.460 30.300 0.090 0.000 1.195 452 R HN 0.104 nan 8.270 nan 0.000 0.433 453 D N 4.122 124.595 120.400 0.121 0.000 2.597 453 D HA 0.004 4.644 4.640 -0.000 0.000 0.228 453 D C 1.213 177.622 176.300 0.182 0.000 1.120 453 D CA 0.173 54.277 54.000 0.174 0.000 1.083 453 D CB 0.596 41.499 40.800 0.172 0.000 1.116 453 D HN 0.266 nan 8.370 nan 0.000 0.487 454 V N 3.152 123.167 119.914 0.168 0.000 2.439 454 V HA -0.272 3.848 4.120 -0.000 0.000 0.253 454 V C 2.553 178.778 176.094 0.218 0.000 1.074 454 V CA 1.224 63.605 62.300 0.135 0.000 1.076 454 V CB -0.441 31.451 31.823 0.115 0.000 0.664 454 V HN 0.570 nan 8.190 nan 0.000 0.461 455 L N -0.533 120.868 121.223 0.297 0.000 1.970 455 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 455 L C 2.508 179.618 176.870 0.400 0.000 1.071 455 L CA 1.790 56.833 54.840 0.338 0.000 0.751 455 L CB -0.298 41.995 42.059 0.390 0.000 0.889 455 L HN 0.178 nan 8.230 nan 0.000 0.432 456 V N 0.195 120.369 119.914 0.433 0.000 2.370 456 V HA -0.380 3.740 4.120 -0.000 0.000 0.252 456 V C 2.725 178.972 176.094 0.255 0.000 1.068 456 V CA 1.883 64.408 62.300 0.376 0.000 1.061 456 V CB -0.896 31.052 31.823 0.209 0.000 0.656 456 V HN 0.620 nan 8.190 nan 0.000 0.455 457 A N -0.107 122.819 122.820 0.176 0.000 1.858 457 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 457 A C 2.134 179.794 177.584 0.127 0.000 1.190 457 A CA 2.126 54.223 52.037 0.100 0.000 0.617 457 A CB -0.554 18.465 19.000 0.031 0.000 0.827 457 A HN 0.505 nan 8.150 nan 0.000 0.443 458 I N -1.841 118.827 120.570 0.163 0.000 2.091 458 I HA -0.307 3.863 4.170 -0.000 0.000 0.239 458 I C 2.521 178.776 176.117 0.230 0.000 1.061 458 I CA 1.996 63.393 61.300 0.162 0.000 1.317 458 I CB -0.646 37.449 38.000 0.158 0.000 1.031 458 I HN 0.479 nan 8.210 nan 0.000 0.401 459 Y N 2.177 122.559 120.300 0.135 0.000 2.102 459 Y HA -0.318 4.232 4.550 -0.000 0.000 0.280 459 Y C 2.446 178.407 175.900 0.103 0.000 1.178 459 Y CA 1.583 59.773 58.100 0.150 0.000 1.146 459 Y CB -0.841 37.782 38.460 0.273 0.000 0.968 459 Y HN 0.248 nan 8.280 nan 0.000 0.504 460 N N 0.377 119.150 118.700 0.121 0.000 2.459 460 N HA -0.124 4.616 4.740 -0.000 0.000 0.181 460 N C 0.528 176.045 175.510 0.012 0.000 1.046 460 N CA 0.824 53.863 53.050 -0.018 0.000 0.904 460 N CB -0.187 38.291 38.487 -0.016 0.000 0.964 460 N HN 0.488 nan 8.380 nan 0.000 0.444 461 N N 0.105 118.838 118.700 0.056 0.000 2.204 461 N HA 0.142 4.882 4.740 -0.000 0.000 0.219 461 N C -0.216 175.323 175.510 0.048 0.000 1.151 461 N CA -0.080 52.992 53.050 0.037 0.000 0.867 461 N CB 1.289 39.793 38.487 0.028 0.000 1.043 461 N HN 0.151 nan 8.380 nan 0.000 0.516 462 L N 1.153 122.422 121.223 0.077 0.000 2.453 462 L HA 0.314 4.654 4.340 -0.000 0.000 0.261 462 L C 0.553 177.452 176.870 0.049 0.000 1.179 462 L CA -0.270 54.614 54.840 0.073 0.000 0.813 462 L CB 0.787 42.917 42.059 0.117 0.000 1.110 462 L HN -0.177 nan 8.230 nan 0.000 0.466 463 L N 2.694 123.939 121.223 0.035 0.000 2.379 463 L HA 0.286 4.626 4.340 -0.000 0.000 0.269 463 L C -1.136 175.750 176.870 0.027 0.000 1.084 463 L CA -1.613 53.241 54.840 0.024 0.000 0.802 463 L CB 0.859 42.927 42.059 0.015 0.000 1.175 463 L HN 0.463 nan 8.230 nan 0.000 0.448 464 P HA -0.150 nan 4.420 nan 0.000 0.220 464 P C 1.130 178.441 177.300 0.018 0.000 1.144 464 P CA 1.333 64.446 63.100 0.022 0.000 0.800 464 P CB 0.235 31.944 31.700 0.014 0.000 0.772 465 G N 0.342 109.150 108.800 0.013 0.000 2.453 465 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.215 465 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.215 465 G C 0.857 175.759 174.900 0.004 0.000 1.147 465 G CA -0.101 45.003 45.100 0.007 0.000 0.802 465 G HN 0.316 nan 8.290 nan 0.000 0.535 466 E N 1.255 121.460 120.200 0.008 0.000 2.614 466 E HA 0.187 4.537 4.350 -0.000 0.000 0.321 466 E C 1.406 178.005 176.600 -0.002 0.000 1.354 466 E CA -0.457 55.944 56.400 0.001 0.000 1.469 466 E CB -0.032 29.672 29.700 0.006 0.000 1.197 466 E HN 0.365 nan 8.360 nan 0.000 0.497 467 L N 0.086 121.305 121.223 -0.006 0.000 2.013 467 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 467 L C 2.149 178.999 176.870 -0.033 0.000 1.073 467 L CA 1.082 55.916 54.840 -0.010 0.000 0.753 467 L CB -0.596 41.456 42.059 -0.012 0.000 0.890 467 L HN 0.313 nan 8.230 nan 0.000 0.432 468 V N 0.040 119.920 119.914 -0.056 0.000 2.237 468 V HA -0.308 3.812 4.120 -0.000 0.000 0.245 468 V C 2.446 178.465 176.094 -0.125 0.000 1.046 468 V CA 1.810 64.050 62.300 -0.100 0.000 1.007 468 V CB -0.445 31.308 31.823 -0.116 0.000 0.638 468 V HN 0.316 nan 8.190 nan 0.000 0.445 469 L N -0.248 120.909 121.223 -0.109 0.000 1.997 469 L HA -0.271 4.069 4.340 -0.000 0.000 0.216 469 L C 2.682 179.498 176.870 -0.091 0.000 1.074 469 L CA 2.312 57.081 54.840 -0.119 0.000 0.763 469 L CB -1.102 40.914 42.059 -0.072 0.000 0.890 469 L HN 0.404 nan 8.230 nan 0.000 0.434 470 T N -0.659 113.880 114.554 -0.025 0.000 2.635 470 T HA -0.267 4.083 4.350 -0.000 0.000 0.267 470 T C 1.611 176.291 174.700 -0.033 0.000 1.040 470 T CA 2.030 64.146 62.100 0.027 0.000 1.156 470 T CB -0.450 68.468 68.868 0.084 0.000 0.863 470 T HN 0.351 nan 8.240 nan 0.000 0.430 471 N N 0.853 119.527 118.700 -0.044 0.000 2.025 471 N HA -0.100 4.640 4.740 -0.000 0.000 0.194 471 N C 1.817 177.274 175.510 -0.088 0.000 1.044 471 N CA 1.220 54.239 53.050 -0.051 0.000 0.851 471 N CB -0.584 37.867 38.487 -0.061 0.000 1.036 471 N HN 0.123 nan 8.380 nan 0.000 0.422 472 L N 0.853 121.996 121.223 -0.134 0.000 1.976 472 L HA -0.243 4.097 4.340 -0.000 0.000 0.223 472 L C 2.353 179.172 176.870 -0.085 0.000 1.081 472 L CA 1.772 56.534 54.840 -0.129 0.000 0.784 472 L CB -1.323 40.595 42.059 -0.236 0.000 0.896 472 L HN 0.369 nan 8.230 nan 0.000 0.438 473 I N -0.718 119.746 120.570 -0.177 0.000 2.163 473 I HA -0.381 3.789 4.170 -0.000 0.000 0.243 473 I C 2.751 178.604 176.117 -0.439 0.000 1.085 473 I CA 1.500 62.589 61.300 -0.353 0.000 1.347 473 I CB -0.356 37.316 38.000 -0.547 0.000 1.044 473 I HN 0.448 nan 8.210 nan 0.000 0.408 474 Q N 0.627 120.209 119.800 -0.363 0.000 2.030 474 Q HA -0.229 4.111 4.340 -0.000 0.000 0.204 474 Q C 2.150 178.168 176.000 0.030 0.000 0.986 474 Q CA 2.726 58.475 55.803 -0.090 0.000 0.843 474 Q CB -0.104 28.673 28.738 0.066 0.000 0.904 474 Q HN 0.427 nan 8.270 nan 0.000 0.420 475 T N 0.153 114.713 114.554 0.010 0.000 2.720 475 T HA -0.221 4.129 4.350 -0.000 0.000 0.268 475 T C 1.342 176.083 174.700 0.069 0.000 1.037 475 T CA 1.484 63.623 62.100 0.066 0.000 1.144 475 T CB -0.601 68.267 68.868 0.001 0.000 0.864 475 T HN 0.459 nan 8.240 nan 0.000 0.444 476 Y N 1.097 121.273 120.300 -0.206 0.000 2.128 476 Y HA -0.094 4.456 4.550 -0.000 0.000 0.284 476 Y C 1.463 177.246 175.900 -0.195 0.000 1.154 476 Y CA 1.035 58.909 58.100 -0.377 0.000 1.149 476 Y CB -0.670 37.301 38.460 -0.815 0.000 0.976 476 Y HN 0.312 nan 8.280 nan 0.000 0.505 477 F N 0.579 120.448 119.950 -0.135 0.000 2.725 477 F HA 0.131 4.658 4.527 -0.000 0.000 0.303 477 F C 0.982 176.740 175.800 -0.070 0.000 1.167 477 F CA 0.113 58.029 58.000 -0.140 0.000 1.403 477 F CB -0.138 38.884 39.000 0.037 0.000 1.077 477 F HN -0.127 nan 8.300 nan 0.000 0.537 478 R N 1.069 121.638 120.500 0.116 0.000 3.322 478 R HA -0.250 4.090 4.340 -0.000 0.000 0.253 478 R C 0.997 177.333 176.300 0.060 0.000 0.987 478 R CA 0.668 56.787 56.100 0.031 0.000 0.666 478 R CB -1.556 28.677 30.300 -0.112 0.000 1.072 478 R HN 0.679 nan 8.270 nan 0.000 0.447 479 G N -1.613 107.262 108.800 0.125 0.000 2.320 479 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.242 479 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.242 479 G C 0.188 175.175 174.900 0.146 0.000 1.033 479 G CA 0.133 45.304 45.100 0.118 0.000 0.620 479 G HN 0.552 nan 8.290 nan 0.000 0.517 480 N N 2.227 121.016 118.700 0.148 0.000 2.345 480 N HA 0.281 5.021 4.740 -0.000 0.000 0.243 480 N C 1.022 176.666 175.510 0.223 0.000 1.246 480 N CA 1.379 54.503 53.050 0.123 0.000 0.863 480 N CB 0.636 39.157 38.487 0.056 0.000 1.096 480 N HN 0.764 nan 8.380 nan 0.000 0.446 481 T N -2.166 112.448 114.554 0.100 0.000 2.847 481 T HA 0.396 4.746 4.350 -0.000 0.000 0.279 481 T C 1.448 175.993 174.700 -0.258 0.000 0.984 481 T CA -0.392 61.721 62.100 0.022 0.000 0.988 481 T CB 1.114 69.953 68.868 -0.047 0.000 1.040 481 T HN 0.457 nan 8.240 nan 0.000 0.528 482 A N 0.373 122.645 122.820 -0.914 0.000 1.997 482 A HA -0.170 4.150 4.320 -0.000 0.000 0.221 482 A C 2.379 179.719 177.584 -0.406 0.000 1.172 482 A CA 2.248 53.590 52.037 -1.159 0.000 0.645 482 A CB -1.197 17.160 19.000 -1.072 0.000 0.813 482 A HN 0.884 nan 8.150 nan 0.000 0.454 483 Q N -0.437 119.203 119.800 -0.266 0.000 1.994 483 Q HA -0.141 4.199 4.340 -0.000 0.000 0.198 483 Q C 2.204 178.136 176.000 -0.115 0.000 0.976 483 Q CA 2.090 57.804 55.803 -0.148 0.000 0.828 483 Q CB -0.383 28.292 28.738 -0.105 0.000 0.894 483 Q HN 0.753 nan 8.270 nan 0.000 0.432 484 Q N -0.496 119.246 119.800 -0.097 0.000 2.234 484 Q HA -0.168 4.172 4.340 -0.000 0.000 0.206 484 Q C 1.942 177.881 176.000 -0.102 0.000 0.980 484 Q CA 1.207 56.967 55.803 -0.073 0.000 0.869 484 Q CB -0.279 28.433 28.738 -0.043 0.000 0.912 484 Q HN 0.468 nan 8.270 nan 0.000 0.436 485 A N 1.274 124.008 122.820 -0.143 0.000 1.877 485 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 485 A C 2.204 179.671 177.584 -0.194 0.000 1.186 485 A CA 1.563 53.445 52.037 -0.258 0.000 0.620 485 A CB -0.660 18.139 19.000 -0.335 0.000 0.822 485 A HN 0.386 nan 8.150 nan 0.000 0.443 486 A N -0.534 122.213 122.820 -0.122 0.000 2.235 486 A HA 0.172 4.492 4.320 -0.000 0.000 0.208 486 A C 0.861 178.415 177.584 -0.050 0.000 1.172 486 A CA 0.363 52.359 52.037 -0.068 0.000 0.786 486 A CB -0.453 18.520 19.000 -0.046 0.000 0.804 486 A HN 0.654 nan 8.150 nan 0.000 0.479 487 E N 0.244 120.409 120.200 -0.058 0.000 2.413 487 E HA 0.247 4.597 4.350 -0.000 0.000 0.263 487 E C -0.797 175.790 176.600 -0.022 0.000 1.015 487 E CA -0.197 56.181 56.400 -0.037 0.000 0.916 487 E CB 0.341 30.018 29.700 -0.037 0.000 0.947 487 E HN 0.446 nan 8.360 nan 0.000 0.440 488 I N 6.069 126.634 120.570 -0.008 0.000 2.325 488 I HA 0.024 4.194 4.170 -0.000 0.000 0.291 488 I C 0.975 177.100 176.117 0.013 0.000 1.019 488 I CA -0.293 61.012 61.300 0.008 0.000 1.302 488 I CB 0.942 38.950 38.000 0.013 0.000 1.401 488 I HN 0.667 nan 8.210 nan 0.000 0.485 489 L N 6.645 127.882 121.223 0.025 0.000 2.145 489 L HA 0.240 4.580 4.340 -0.000 0.000 0.201 489 L C 0.408 177.305 176.870 0.045 0.000 1.075 489 L CA 1.055 55.914 54.840 0.032 0.000 0.773 489 L CB 0.217 42.299 42.059 0.039 0.000 0.936 489 L HN 0.477 nan 8.230 nan 0.000 0.451 490 I N 0.688 121.296 120.570 0.063 0.000 2.512 490 I HA 0.271 4.441 4.170 -0.000 0.000 0.287 490 I C -2.489 173.666 176.117 0.062 0.000 1.069 490 I CA -1.931 59.408 61.300 0.065 0.000 1.056 490 I CB 2.446 40.510 38.000 0.106 0.000 1.229 490 I HN -0.185 nan 8.210 nan 0.000 0.429 491 P HA 0.098 nan 4.420 nan 0.000 0.271 491 P C 0.580 177.898 177.300 0.030 0.000 1.218 491 P CA -0.106 63.011 63.100 0.029 0.000 0.780 491 P CB 1.495 33.201 31.700 0.010 0.000 0.901 492 A N 3.631 126.476 122.820 0.041 0.000 1.915 492 A HA -0.285 4.035 4.320 -0.000 0.000 0.220 492 A C 1.811 179.392 177.584 -0.004 0.000 1.198 492 A CA 2.342 54.405 52.037 0.044 0.000 0.647 492 A CB -1.522 17.505 19.000 0.044 0.000 0.825 492 A HN 0.550 nan 8.150 nan 0.000 0.456 493 D N -0.166 120.227 120.400 -0.013 0.000 2.204 493 D HA -0.216 4.423 4.640 -0.000 0.000 0.189 493 D C 1.512 177.772 176.300 -0.067 0.000 1.006 493 D CA 1.862 55.841 54.000 -0.035 0.000 0.855 493 D CB -0.643 40.140 40.800 -0.028 0.000 0.946 493 D HN 0.726 nan 8.370 nan 0.000 0.448 494 Q N 0.459 120.216 119.800 -0.071 0.000 2.259 494 Q HA 0.091 4.431 4.340 -0.000 0.000 0.228 494 Q C -0.123 175.770 176.000 -0.178 0.000 0.909 494 Q CA 0.107 55.845 55.803 -0.108 0.000 0.948 494 Q CB -0.066 28.622 28.738 -0.084 0.000 1.041 494 Q HN 0.303 nan 8.270 nan 0.000 0.445 495 T N -4.745 109.673 114.554 -0.228 0.000 2.893 495 T HA 0.265 4.615 4.350 -0.000 0.000 0.291 495 T C 0.842 175.248 174.700 -0.490 0.000 1.028 495 T CA -0.531 61.293 62.100 -0.460 0.000 0.995 495 T CB 1.863 70.391 68.868 -0.567 0.000 1.051 495 T HN 0.008 nan 8.240 nan 0.000 0.470 496 S N 1.235 116.546 115.700 -0.648 0.000 2.348 496 S HA -0.054 4.416 4.470 -0.000 0.000 0.221 496 S C 0.799 175.209 174.600 -0.316 0.000 1.033 496 S CA 0.735 58.671 58.200 -0.440 0.000 1.010 496 S CB -1.040 61.909 63.200 -0.418 0.000 0.891 496 S HN 0.758 nan 8.310 nan 0.000 0.442 497 Y N 0.129 120.385 120.300 -0.072 0.000 2.281 497 Y HA 0.715 5.265 4.550 -0.000 0.000 0.337 497 Y C 1.911 177.794 175.900 -0.029 0.000 1.304 497 Y CA -1.002 57.069 58.100 -0.048 0.000 1.465 497 Y CB -0.525 37.913 38.460 -0.036 0.000 1.350 497 Y HN 0.025 nan 8.280 nan 0.000 0.575 498 G N 0.468 109.406 108.800 0.229 0.000 2.505 498 G HA2 0.038 3.998 3.960 -0.000 0.000 0.214 498 G HA3 0.038 3.998 3.960 -0.000 0.000 0.214 498 G C 0.717 175.731 174.900 0.191 0.000 1.237 498 G CA 0.354 45.541 45.100 0.145 0.000 0.802 498 G HN 1.068 nan 8.290 nan 0.000 0.549 499 A N 0.276 123.217 122.820 0.201 0.000 2.642 499 A HA 0.092 4.412 4.320 -0.000 0.000 0.228 499 A C 0.520 178.217 177.584 0.187 0.000 1.045 499 A CA 0.136 52.267 52.037 0.156 0.000 0.760 499 A CB -0.109 18.937 19.000 0.076 0.000 0.958 499 A HN 0.404 nan 8.150 nan 0.000 0.505 500 N N 0.576 119.346 118.700 0.117 0.000 2.518 500 N HA 0.192 4.932 4.740 -0.000 0.000 0.266 500 N C -0.190 175.389 175.510 0.114 0.000 1.196 500 N CA 0.090 53.202 53.050 0.104 0.000 0.947 500 N CB 1.005 39.531 38.487 0.065 0.000 1.098 500 N HN 0.667 nan 8.380 nan 0.000 0.450 501 E N 1.013 121.291 120.200 0.128 0.000 1.998 501 E HA 0.090 4.440 4.350 -0.000 0.000 0.257 501 E C -0.215 176.425 176.600 0.066 0.000 1.038 501 E CA -0.564 55.906 56.400 0.117 0.000 0.869 501 E CB -0.148 29.662 29.700 0.182 0.000 1.135 501 E HN 0.540 nan 8.360 nan 0.000 0.430 502 T N 0.090 114.672 114.554 0.045 0.000 2.788 502 T HA 0.184 4.534 4.350 -0.000 0.000 0.287 502 T C 1.195 175.893 174.700 -0.003 0.000 1.007 502 T CA -0.497 61.611 62.100 0.014 0.000 1.005 502 T CB 1.328 70.197 68.868 0.002 0.000 1.012 502 T HN 0.491 nan 8.240 nan 0.000 0.530 503 R N 0.345 120.819 120.500 -0.044 0.000 2.115 503 R HA 0.091 4.431 4.340 -0.000 0.000 0.226 503 R C 2.454 178.687 176.300 -0.112 0.000 1.100 503 R CA 1.122 57.184 56.100 -0.063 0.000 0.980 503 R CB -0.895 29.356 30.300 -0.082 0.000 0.875 503 R HN 0.819 nan 8.270 nan 0.000 0.445 504 A N 0.423 123.123 122.820 -0.200 0.000 2.121 504 A HA -0.029 4.291 4.320 -0.000 0.000 0.218 504 A C 1.689 179.309 177.584 0.060 0.000 1.154 504 A CA 0.767 52.604 52.037 -0.333 0.000 0.679 504 A CB -0.187 18.539 19.000 -0.456 0.000 0.795 504 A HN 0.336 nan 8.150 nan 0.000 0.458 505 L N -0.848 120.428 121.223 0.088 0.000 2.653 505 L HA 0.136 4.475 4.340 -0.000 0.000 0.231 505 L C 1.284 178.292 176.870 0.231 0.000 1.153 505 L CA 0.270 55.227 54.840 0.194 0.000 0.933 505 L CB 0.239 42.364 42.059 0.110 0.000 1.175 505 L HN 0.314 nan 8.230 nan 0.000 0.473 506 S N -1.025 114.775 115.700 0.167 0.000 2.882 506 S HA 0.171 4.641 4.470 -0.000 0.000 0.258 506 S C 2.010 176.680 174.600 0.116 0.000 1.081 506 S CA 0.353 58.658 58.200 0.176 0.000 0.886 506 S CB 0.449 63.685 63.200 0.060 0.000 0.855 506 S HN 0.298 nan 8.310 nan 0.000 0.467 507 A N 2.967 125.801 122.820 0.023 0.000 1.903 507 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 507 A C -0.378 177.116 177.584 -0.150 0.000 1.191 507 A CA 2.125 54.142 52.037 -0.033 0.000 0.638 507 A CB -1.952 17.043 19.000 -0.009 0.000 0.823 507 A HN 0.415 nan 8.150 nan 0.000 0.451 508 P HA -0.095 nan 4.420 nan 0.000 0.216 508 P C -0.204 176.744 177.300 -0.586 0.000 1.153 508 P CA 0.857 63.534 63.100 -0.704 0.000 0.848 508 P CB -0.190 30.824 31.700 -1.143 0.000 0.787 509 Y N -0.424 119.830 120.300 -0.076 0.000 2.465 509 Y HA 0.262 4.812 4.550 -0.000 0.000 0.331 509 Y C 1.529 177.380 175.900 -0.082 0.000 1.102 509 Y CA -0.444 57.611 58.100 -0.074 0.000 1.358 509 Y CB -0.561 37.860 38.460 -0.066 0.000 1.213 509 Y HN -0.178 nan 8.280 nan 0.000 0.525 510 L N 1.552 122.760 121.223 -0.026 0.000 6.889 510 L HA -0.429 3.911 4.340 -0.000 0.000 0.053 510 L C 0.938 177.728 176.870 -0.133 0.000 1.907 510 L CA 1.436 56.192 54.840 -0.141 0.000 1.578 510 L CB -1.152 40.831 42.059 -0.125 0.000 2.819 510 L HN 0.704 nan 8.230 nan 0.000 1.095 511 F N 0.295 120.229 119.950 -0.027 0.000 2.502 511 F HA 0.195 4.722 4.527 -0.000 0.000 0.298 511 F C 1.794 177.546 175.800 -0.080 0.000 1.111 511 F CA 1.048 59.015 58.000 -0.056 0.000 1.445 511 F CB -0.032 38.940 39.000 -0.047 0.000 1.081 511 F HN 0.686 nan 8.300 nan 0.000 0.558 512 G N 0.250 109.113 108.800 0.106 0.000 2.141 512 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.231 512 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.231 512 G C 0.209 175.135 174.900 0.044 0.000 0.984 512 G CA -0.229 44.887 45.100 0.027 0.000 0.660 512 G HN 0.580 nan 8.290 nan 0.000 0.525 513 A N 0.342 123.215 122.820 0.088 0.000 2.407 513 A HA 0.685 5.005 4.320 -0.000 0.000 0.248 513 A C -1.681 175.929 177.584 0.044 0.000 1.082 513 A CA -0.808 51.265 52.037 0.060 0.000 0.785 513 A CB 0.276 19.327 19.000 0.085 0.000 1.020 513 A HN 0.151 nan 8.150 nan 0.000 0.489 514 P HA 0.071 nan 4.420 nan 0.000 0.271 514 P C 1.079 178.391 177.300 0.020 0.000 1.220 514 P CA -0.195 62.917 63.100 0.021 0.000 0.768 514 P CB 0.495 32.206 31.700 0.018 0.000 0.848 515 I N 2.784 123.347 120.570 -0.012 0.000 2.367 515 I HA -0.412 3.758 4.170 -0.000 0.000 0.256 515 I C 1.702 177.827 176.117 0.013 0.000 1.132 515 I CA 1.689 62.939 61.300 -0.082 0.000 1.397 515 I CB -0.052 37.798 38.000 -0.250 0.000 1.074 515 I HN 0.344 nan 8.210 nan 0.000 0.435 516 N N 1.422 120.161 118.700 0.064 0.000 2.000 516 N HA -0.157 4.583 4.740 -0.000 0.000 0.198 516 N C 0.389 175.954 175.510 0.092 0.000 1.057 516 N CA 1.657 54.771 53.050 0.106 0.000 0.858 516 N CB -0.230 38.299 38.487 0.071 0.000 1.057 516 N HN 0.328 nan 8.380 nan 0.000 0.423 517 M N 1.336 120.972 119.600 0.060 0.000 2.103 517 M HA 0.353 4.833 4.480 -0.000 0.000 0.350 517 M C -0.794 175.536 176.300 0.050 0.000 1.100 517 M CA -0.023 55.308 55.300 0.051 0.000 1.042 517 M CB 1.808 34.426 32.600 0.031 0.000 1.368 517 M HN -0.083 nan 8.290 nan 0.000 0.404 518 L N 2.077 123.339 121.223 0.064 0.000 2.379 518 L HA 0.724 5.064 4.340 -0.000 0.000 0.269 518 L C 0.614 177.527 176.870 0.071 0.000 1.084 518 L CA -0.991 53.892 54.840 0.073 0.000 0.802 518 L CB 1.612 43.718 42.059 0.077 0.000 1.175 518 L HN 0.733 nan 8.230 nan 0.000 0.448 519 A N 4.502 127.380 122.820 0.096 0.000 2.438 519 A HA 0.375 4.695 4.320 -0.000 0.000 0.280 519 A C -2.239 175.401 177.584 0.092 0.000 1.160 519 A CA -0.995 51.086 52.037 0.072 0.000 0.821 519 A CB -0.643 18.400 19.000 0.072 0.000 1.101 519 A HN 0.355 nan 8.150 nan 0.000 0.515 520 P HA 0.125 nan 4.420 nan 0.000 0.290 520 P C -0.899 176.434 177.300 0.055 0.000 1.276 520 P CA -0.405 62.729 63.100 0.057 0.000 0.808 520 P CB 1.256 32.982 31.700 0.044 0.000 0.966 521 D N 3.001 123.439 120.400 0.063 0.000 2.367 521 D HA 0.121 4.761 4.640 -0.000 0.000 0.255 521 D C 0.430 176.774 176.300 0.073 0.000 1.300 521 D CA -0.154 53.886 54.000 0.066 0.000 0.959 521 D CB 0.019 40.864 40.800 0.075 0.000 1.064 521 D HN 0.311 nan 8.370 nan 0.000 0.509 522 A N 4.892 127.748 122.820 0.060 0.000 2.577 522 A HA 0.133 4.453 4.320 -0.000 0.000 0.280 522 A C 1.862 179.500 177.584 0.091 0.000 1.331 522 A CA -0.389 51.686 52.037 0.064 0.000 0.935 522 A CB -0.016 19.005 19.000 0.034 0.000 1.082 522 A HN 0.557 nan 8.150 nan 0.000 0.525 523 R N -0.502 120.076 120.500 0.130 0.000 2.083 523 R HA -0.048 4.292 4.340 -0.000 0.000 0.237 523 R C 1.121 177.605 176.300 0.306 0.000 1.137 523 R CA 1.424 57.637 56.100 0.188 0.000 0.951 523 R CB -0.295 30.108 30.300 0.171 0.000 0.851 523 R HN 0.506 nan 8.270 nan 0.000 0.434 524 L N 0.728 122.131 121.223 0.299 0.000 2.599 524 L HA -0.017 4.323 4.340 -0.000 0.000 0.230 524 L C 2.260 179.253 176.870 0.205 0.000 1.141 524 L CA 0.058 55.059 54.840 0.269 0.000 0.877 524 L CB -0.086 42.003 42.059 0.050 0.000 1.009 524 L HN 0.217 nan 8.230 nan 0.000 0.447 525 S N -0.266 115.508 115.700 0.124 0.000 2.353 525 S HA -0.220 4.250 4.470 -0.000 0.000 0.222 525 S C 1.978 176.571 174.600 -0.012 0.000 1.035 525 S CA 2.253 60.482 58.200 0.049 0.000 1.025 525 S CB -0.067 63.148 63.200 0.026 0.000 0.902 525 S HN 0.480 nan 8.310 nan 0.000 0.440 526 T N 1.259 115.751 114.554 -0.103 0.000 2.544 526 T HA -0.198 4.152 4.350 -0.000 0.000 0.264 526 T C 1.475 176.028 174.700 -0.246 0.000 1.096 526 T CA 2.254 64.198 62.100 -0.260 0.000 1.181 526 T CB -1.056 67.495 68.868 -0.527 0.000 0.864 526 T HN 0.607 nan 8.240 nan 0.000 0.415 527 Y N 1.901 122.172 120.300 -0.048 0.000 2.173 527 Y HA -0.207 4.343 4.550 -0.000 0.000 0.282 527 Y C 2.571 178.415 175.900 -0.094 0.000 1.192 527 Y CA 1.150 59.201 58.100 -0.083 0.000 1.176 527 Y CB -0.495 37.901 38.460 -0.105 0.000 0.969 527 Y HN 0.196 nan 8.280 nan 0.000 0.519 528 K N 0.088 120.525 120.400 0.062 0.000 1.985 528 K HA -0.209 4.111 4.320 -0.000 0.000 0.210 528 K C 2.278 178.887 176.600 0.015 0.000 1.047 528 K CA 1.405 57.703 56.287 0.019 0.000 0.932 528 K CB -0.363 32.154 32.500 0.029 0.000 0.716 528 K HN 0.229 nan 8.250 nan 0.000 0.439 529 R N 1.326 121.825 120.500 -0.002 0.000 2.113 529 R HA -0.194 4.146 4.340 -0.000 0.000 0.244 529 R C 1.293 177.582 176.300 -0.017 0.000 1.142 529 R CA 2.157 58.251 56.100 -0.009 0.000 0.953 529 R CB -0.178 30.104 30.300 -0.030 0.000 0.860 529 R HN 0.154 nan 8.270 nan 0.000 0.438 530 D N -0.017 120.359 120.400 -0.040 0.000 2.392 530 D HA -0.074 4.566 4.640 -0.000 0.000 0.228 530 D C 1.082 177.356 176.300 -0.043 0.000 1.003 530 D CA 0.790 54.760 54.000 -0.050 0.000 0.917 530 D CB 0.185 40.940 40.800 -0.075 0.000 0.890 530 D HN 0.359 nan 8.370 nan 0.000 0.532 531 L N -0.925 120.288 121.223 -0.017 0.000 2.808 531 L HA 0.332 4.672 4.340 -0.000 0.000 0.246 531 L C 1.052 177.944 176.870 0.037 0.000 1.153 531 L CA 0.005 54.840 54.840 -0.009 0.000 0.956 531 L CB 0.339 42.400 42.059 0.003 0.000 1.270 531 L HN -0.068 nan 8.230 nan 0.000 0.528 532 A N -0.022 122.823 122.820 0.041 0.000 3.201 532 A HA -0.216 4.104 4.320 -0.000 0.000 0.260 532 A C 0.478 178.121 177.584 0.098 0.000 1.222 532 A CA 0.676 52.754 52.037 0.067 0.000 1.124 532 A CB -2.221 16.828 19.000 0.082 0.000 1.155 532 A HN 0.309 nan 8.150 nan 0.000 0.924 533 L N -0.207 121.083 121.223 0.112 0.000 2.464 533 L HA 0.393 4.733 4.340 -0.000 0.000 0.264 533 L C -1.632 175.300 176.870 0.102 0.000 1.199 533 L CA -1.915 53.017 54.840 0.153 0.000 0.818 533 L CB -0.112 42.067 42.059 0.200 0.000 1.102 533 L HN 0.084 nan 8.230 nan 0.000 0.473 534 P HA -0.007 nan 4.420 nan 0.000 0.268 534 P C -0.114 177.206 177.300 0.033 0.000 1.208 534 P CA -0.144 62.985 63.100 0.048 0.000 0.777 534 P CB 0.589 32.298 31.700 0.015 0.000 0.875 535 D N 1.111 121.526 120.400 0.025 0.000 2.097 535 D HA -0.083 4.557 4.640 -0.000 0.000 0.197 535 D C 0.623 176.928 176.300 0.009 0.000 0.984 535 D CA 0.804 54.817 54.000 0.021 0.000 0.826 535 D CB -0.195 40.618 40.800 0.022 0.000 0.973 535 D HN 0.444 nan 8.370 nan 0.000 0.460 536 R N 0.546 121.037 120.500 -0.015 0.000 2.538 536 R HA 0.118 4.458 4.340 -0.000 0.000 0.273 536 R C -0.323 175.954 176.300 -0.038 0.000 0.967 536 R CA 0.506 56.585 56.100 -0.036 0.000 1.101 536 R CB 0.187 30.426 30.300 -0.101 0.000 0.908 536 R HN -0.168 nan 8.270 nan 0.000 0.411 537 S N 2.829 118.525 115.700 -0.007 0.000 2.685 537 S HA 0.600 5.070 4.470 -0.000 0.000 0.282 537 S C -2.636 171.978 174.600 0.024 0.000 1.159 537 S CA -1.345 56.862 58.200 0.013 0.000 0.833 537 S CB 2.216 65.442 63.200 0.044 0.000 1.151 537 S HN 0.656 nan 8.310 nan 0.000 0.485 538 P HA 0.368 nan 4.420 nan 0.000 0.277 538 P C -0.729 176.603 177.300 0.054 0.000 1.271 538 P CA -0.476 62.651 63.100 0.044 0.000 0.795 538 P CB 0.367 32.093 31.700 0.045 0.000 1.101 539 I N -0.039 120.562 120.570 0.052 0.000 2.638 539 I HA 0.047 4.217 4.170 -0.000 0.000 0.286 539 I C 0.824 176.974 176.117 0.055 0.000 1.088 539 I CA -0.578 60.755 61.300 0.056 0.000 1.397 539 I CB 0.220 38.245 38.000 0.043 0.000 1.414 539 I HN 0.165 nan 8.210 nan 0.000 0.566 540 L N 6.722 127.996 121.223 0.084 0.000 2.268 540 L HA 0.251 4.591 4.340 -0.000 0.000 0.289 540 L C 0.569 177.472 176.870 0.055 0.000 1.064 540 L CA 0.412 55.308 54.840 0.093 0.000 0.824 540 L CB 0.574 42.725 42.059 0.153 0.000 1.202 540 L HN 0.587 nan 8.230 nan 0.000 0.433 541 I N 2.944 123.489 120.570 -0.042 0.000 2.493 541 I HA -0.067 4.103 4.170 -0.000 0.000 0.254 541 I C 0.389 176.294 176.117 -0.354 0.000 1.160 541 I CA 1.075 62.290 61.300 -0.141 0.000 1.445 541 I CB 0.230 38.193 38.000 -0.061 0.000 1.086 541 I HN 0.770 nan 8.210 nan 0.000 0.433 542 T N -0.946 113.433 114.554 -0.291 0.000 3.033 542 T HA 0.164 4.514 4.350 -0.000 0.000 0.362 542 T C -0.487 174.186 174.700 -0.045 0.000 1.723 542 T CA -0.257 61.657 62.100 -0.311 0.000 1.110 542 T CB 0.515 68.836 68.868 -0.912 0.000 1.515 542 T HN 0.212 nan 8.240 nan 0.000 0.484 543 T N 1.301 115.948 114.554 0.155 0.000 2.903 543 T HA 0.501 4.851 4.350 -0.000 0.000 0.314 543 T C 0.159 174.834 174.700 -0.041 0.000 1.078 543 T CA -0.571 61.558 62.100 0.049 0.000 1.114 543 T CB 0.563 69.451 68.868 0.034 0.000 0.987 543 T HN 0.521 nan 8.240 nan 0.000 0.548 544 V N 2.772 122.660 119.914 -0.043 0.000 2.325 544 V HA 0.318 4.438 4.120 -0.000 0.000 0.280 544 V C 0.032 176.100 176.094 -0.042 0.000 1.016 544 V CA -0.762 61.504 62.300 -0.056 0.000 0.818 544 V CB 0.637 32.417 31.823 -0.072 0.000 1.019 544 V HN 0.918 nan 8.190 nan 0.000 0.434 545 E N 2.530 122.709 120.200 -0.035 0.000 2.250 545 E HA 0.746 5.096 4.350 -0.000 0.000 0.265 545 E C 0.949 177.532 176.600 -0.028 0.000 1.033 545 E CA 0.129 56.513 56.400 -0.028 0.000 0.888 545 E CB 1.735 31.422 29.700 -0.022 0.000 1.151 545 E HN 0.821 nan 8.360 nan 0.000 0.412 546 G N 1.352 110.137 108.800 -0.024 0.000 2.531 546 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.274 546 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.274 546 G C 0.427 175.313 174.900 -0.023 0.000 1.159 546 G CA 0.686 45.771 45.100 -0.025 0.000 0.969 546 G HN 0.674 nan 8.290 nan 0.000 0.554 547 Q N -0.105 119.677 119.800 -0.029 0.000 2.123 547 Q HA 0.243 4.583 4.340 -0.000 0.000 0.244 547 Q C 0.760 176.751 176.000 -0.015 0.000 0.769 547 Q CA 0.623 56.417 55.803 -0.016 0.000 0.938 547 Q CB 0.765 29.506 28.738 0.005 0.000 1.170 547 Q HN 1.006 nan 8.270 nan 0.000 0.469 548 N N -0.028 118.654 118.700 -0.030 0.000 2.393 548 N HA 0.039 4.779 4.740 -0.000 0.000 0.256 548 N C -1.394 174.106 175.510 -0.017 0.000 1.449 548 N CA -0.142 52.901 53.050 -0.011 0.000 0.887 548 N CB 0.781 39.278 38.487 0.018 0.000 1.374 548 N HN -0.040 nan 8.380 nan 0.000 0.503 549 S N 1.484 117.169 115.700 -0.025 0.000 2.532 549 S HA 0.553 5.023 4.470 -0.000 0.000 0.318 549 S C -0.233 174.357 174.600 -0.018 0.000 1.083 549 S CA -0.565 57.627 58.200 -0.014 0.000 1.131 549 S CB -0.087 63.100 63.200 -0.020 0.000 0.973 549 S HN 0.277 nan 8.310 nan 0.000 0.468 550 I N 3.479 124.041 120.570 -0.013 0.000 2.331 550 I HA 0.272 4.442 4.170 -0.000 0.000 0.292 550 I C 0.649 176.759 176.117 -0.013 0.000 0.998 550 I CA -0.449 60.831 61.300 -0.035 0.000 1.267 550 I CB 1.666 39.646 38.000 -0.033 0.000 1.386 550 I HN 0.449 nan 8.210 nan 0.000 0.476 551 S N 6.539 122.217 115.700 -0.037 0.000 2.523 551 S HA 0.341 4.811 4.470 -0.000 0.000 0.275 551 S C 0.757 175.377 174.600 0.034 0.000 1.281 551 S CA -0.664 57.539 58.200 0.005 0.000 1.050 551 S CB 0.415 63.624 63.200 0.015 0.000 0.937 551 S HN 0.583 nan 8.310 nan 0.000 0.492 552 I N 1.813 122.447 120.570 0.105 0.000 3.941 552 I HA 0.450 4.620 4.170 -0.000 0.000 0.335 552 I C 1.436 177.636 176.117 0.138 0.000 1.402 552 I CA -0.149 61.268 61.300 0.196 0.000 1.112 552 I CB -0.030 38.052 38.000 0.137 0.000 1.043 552 I HN 0.507 nan 8.210 nan 0.000 0.395 553 E N 2.312 122.577 120.200 0.108 0.000 2.233 553 E HA -0.256 4.094 4.350 -0.000 0.000 0.199 553 E C 1.711 178.387 176.600 0.127 0.000 1.004 553 E CA 1.621 58.085 56.400 0.107 0.000 0.819 553 E CB -0.145 29.616 29.700 0.101 0.000 0.738 553 E HN 0.541 nan 8.360 nan 0.000 0.478 554 N N -0.920 117.855 118.700 0.125 0.000 2.106 554 N HA -0.094 4.646 4.740 -0.000 0.000 0.188 554 N C 1.340 176.919 175.510 0.115 0.000 1.029 554 N CA 0.896 54.002 53.050 0.093 0.000 0.848 554 N CB -0.159 38.315 38.487 -0.020 0.000 1.007 554 N HN 0.124 nan 8.380 nan 0.000 0.423 555 L N 0.531 121.814 121.223 0.101 0.000 2.056 555 L HA 0.001 4.341 4.340 -0.000 0.000 0.207 555 L C 2.286 179.192 176.870 0.061 0.000 1.078 555 L CA 1.149 56.019 54.840 0.050 0.000 0.749 555 L CB -0.635 41.414 42.059 -0.016 0.000 0.901 555 L HN 0.066 nan 8.230 nan 0.000 0.433 556 R N -1.219 119.325 120.500 0.074 0.000 2.139 556 R HA -0.261 4.079 4.340 -0.000 0.000 0.243 556 R C 2.420 178.775 176.300 0.091 0.000 1.145 556 R CA 1.512 57.653 56.100 0.069 0.000 0.976 556 R CB -0.316 30.027 30.300 0.072 0.000 0.866 556 R HN 0.510 nan 8.270 nan 0.000 0.449 557 H N 0.382 119.471 119.070 0.031 0.000 2.293 557 H HA -0.051 4.505 4.556 -0.000 0.000 0.300 557 H C 1.499 176.844 175.328 0.027 0.000 1.082 557 H CA 1.868 57.932 56.048 0.025 0.000 1.308 557 H CB 0.150 29.923 29.762 0.018 0.000 1.375 557 H HN -0.047 nan 8.280 nan 0.000 0.495 558 K N -0.188 120.161 120.400 -0.085 0.000 2.097 558 K HA -0.092 4.228 4.320 -0.000 0.000 0.206 558 K C 2.324 178.901 176.600 -0.038 0.000 1.049 558 K CA 1.376 57.595 56.287 -0.113 0.000 0.933 558 K CB -0.711 31.805 32.500 0.026 0.000 0.717 558 K HN 0.375 nan 8.250 nan 0.000 0.442 559 T N 0.617 115.175 114.554 0.008 0.000 2.665 559 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 559 T C 1.861 176.581 174.700 0.033 0.000 1.035 559 T CA 1.926 64.053 62.100 0.046 0.000 1.151 559 T CB -0.499 68.389 68.868 0.032 0.000 0.862 559 T HN 0.511 nan 8.240 nan 0.000 0.438 560 G N 0.960 109.748 108.800 -0.020 0.000 2.421 560 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.216 560 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.216 560 G C 1.534 176.404 174.900 -0.049 0.000 1.171 560 G CA 0.901 45.983 45.100 -0.029 0.000 0.775 560 G HN 0.452 nan 8.290 nan 0.000 0.543 561 L N 0.753 121.903 121.223 -0.121 0.000 2.042 561 L HA 0.028 4.368 4.340 -0.000 0.000 0.210 561 L C 2.694 179.577 176.870 0.022 0.000 1.076 561 L CA 1.344 56.131 54.840 -0.087 0.000 0.749 561 L CB -0.234 41.736 42.059 -0.148 0.000 0.893 561 L HN 0.267 nan 8.230 nan 0.000 0.432 562 I N -1.037 119.591 120.570 0.096 0.000 2.286 562 I HA -0.297 3.873 4.170 -0.000 0.000 0.248 562 I C 2.685 178.936 176.117 0.224 0.000 1.115 562 I CA 1.187 62.630 61.300 0.238 0.000 1.392 562 I CB -0.391 37.796 38.000 0.313 0.000 1.065 562 I HN 0.281 nan 8.210 nan 0.000 0.418 563 R N 0.909 121.491 120.500 0.137 0.000 2.081 563 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 563 R C 2.419 178.730 176.300 0.019 0.000 1.131 563 R CA 1.597 57.760 56.100 0.104 0.000 0.960 563 R CB -0.219 30.121 30.300 0.068 0.000 0.856 563 R HN 0.364 nan 8.270 nan 0.000 0.436 564 A N 0.388 123.185 122.820 -0.038 0.000 1.930 564 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 564 A C 2.130 179.572 177.584 -0.236 0.000 1.175 564 A CA 1.267 53.224 52.037 -0.133 0.000 0.627 564 A CB -0.339 18.582 19.000 -0.132 0.000 0.815 564 A HN 0.272 nan 8.150 nan 0.000 0.443 565 M N -2.288 117.196 119.600 -0.192 0.000 2.086 565 M HA -0.128 4.352 4.480 -0.000 0.000 0.261 565 M C 1.814 177.840 176.300 -0.457 0.000 1.067 565 M CA 1.786 56.883 55.300 -0.339 0.000 1.116 565 M CB -0.354 31.980 32.600 -0.444 0.000 1.348 565 M HN 0.637 nan 8.290 nan 0.000 0.407 566 Y N -1.300 118.990 120.300 -0.018 0.000 2.673 566 Y HA 0.225 4.775 4.550 -0.000 0.000 0.278 566 Y C 1.636 177.325 175.900 -0.352 0.000 1.127 566 Y CA -0.152 57.811 58.100 -0.229 0.000 1.261 566 Y CB 0.026 38.498 38.460 0.021 0.000 1.412 566 Y HN -0.057 nan 8.280 nan 0.000 0.496 567 L N 0.815 122.091 121.223 0.088 0.000 2.660 567 L HA 0.068 4.408 4.340 -0.000 0.000 0.238 567 L C 0.376 177.222 176.870 -0.039 0.000 1.161 567 L CA 0.610 55.504 54.840 0.090 0.000 0.937 567 L CB -0.438 41.714 42.059 0.155 0.000 1.122 567 L HN 0.239 nan 8.230 nan 0.000 0.435 568 N N 0.499 119.081 118.700 -0.196 0.000 2.238 568 N HA 0.272 5.012 4.740 -0.000 0.000 0.235 568 N C 0.218 175.586 175.510 -0.238 0.000 1.209 568 N CA 0.431 53.375 53.050 -0.177 0.000 0.879 568 N CB 0.949 39.333 38.487 -0.171 0.000 1.136 568 N HN 0.266 nan 8.380 nan 0.000 0.517 569 G N -0.011 108.559 108.800 -0.384 0.000 2.722 569 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.686 569 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.686 569 G C -0.672 173.944 174.900 -0.474 0.000 1.282 569 G CA -0.640 44.269 45.100 -0.319 0.000 0.817 569 G HN 0.096 nan 8.290 nan 0.000 0.605 570 F N -0.050 119.858 119.950 -0.070 0.000 2.629 570 F HA 0.741 5.268 4.527 -0.000 0.000 0.386 570 F C 1.509 177.217 175.800 -0.154 0.000 1.135 570 F CA -0.510 57.370 58.000 -0.200 0.000 1.116 570 F CB 0.731 39.497 39.000 -0.391 0.000 1.426 570 F HN 0.311 nan 8.300 nan 0.000 0.501 571 V N -1.012 118.897 119.914 -0.008 0.000 2.922 571 V HA 0.093 4.213 4.120 -0.000 0.000 0.242 571 V C 0.021 176.074 176.094 -0.068 0.000 1.094 571 V CA 1.157 63.428 62.300 -0.047 0.000 1.106 571 V CB 0.253 32.019 31.823 -0.095 0.000 0.799 571 V HN 0.846 nan 8.190 nan 0.000 0.474 572 T N -0.162 114.316 114.554 -0.126 0.000 3.318 572 T HA 0.293 4.643 4.350 -0.000 0.000 0.304 572 T C -0.294 174.252 174.700 -0.256 0.000 1.051 572 T CA -0.616 61.392 62.100 -0.153 0.000 1.546 572 T CB 0.229 68.999 68.868 -0.164 0.000 0.875 572 T HN 0.510 nan 8.240 nan 0.000 0.578 573 Q N 2.033 121.664 119.800 -0.282 0.000 2.431 573 Q HA 0.108 4.448 4.340 -0.000 0.000 0.349 573 Q C -2.058 173.617 176.000 -0.541 0.000 1.119 573 Q CA -0.899 54.495 55.803 -0.683 0.000 1.065 573 Q CB -0.378 28.103 28.738 -0.428 0.000 1.149 573 Q HN 0.309 nan 8.270 nan 0.000 0.403 574 P HA -0.053 nan 4.420 nan 0.000 0.267 574 P C -1.907 175.329 177.300 -0.107 0.000 1.200 574 P CA -1.118 61.810 63.100 -0.287 0.000 0.772 574 P CB 0.395 31.960 31.700 -0.226 0.000 0.855 575 P HA -0.264 nan 4.420 nan 0.000 0.215 575 P C 1.402 178.753 177.300 0.086 0.000 1.157 575 P CA 2.056 65.167 63.100 0.018 0.000 0.874 575 P CB -0.456 31.252 31.700 0.013 0.000 0.790 576 A N -0.833 122.081 122.820 0.157 0.000 1.997 576 A HA -0.170 4.150 4.320 -0.000 0.000 0.221 576 A C 1.779 179.470 177.584 0.177 0.000 1.172 576 A CA 1.648 53.803 52.037 0.195 0.000 0.645 576 A CB -1.894 17.292 19.000 0.310 0.000 0.813 576 A HN 0.275 nan 8.150 nan 0.000 0.454 577 W N -0.563 120.699 121.300 -0.063 0.000 3.345 577 W HA 0.336 4.996 4.660 -0.000 0.000 0.282 577 W C 1.546 178.026 176.519 -0.066 0.000 1.302 577 W CA -0.609 56.690 57.345 -0.076 0.000 1.724 577 W CB -0.431 28.941 29.460 -0.147 0.000 1.104 577 W HN 0.267 nan 8.180 nan 0.000 0.694 578 I N 0.148 120.783 120.570 0.108 0.000 2.162 578 I HA -0.233 3.937 4.170 -0.000 0.000 0.238 578 I C 2.475 178.611 176.117 0.033 0.000 1.076 578 I CA 1.391 62.725 61.300 0.058 0.000 1.353 578 I CB -0.270 37.745 38.000 0.026 0.000 1.063 578 I HN -0.113 nan 8.210 nan 0.000 0.408 579 R N 0.341 120.845 120.500 0.006 0.000 2.128 579 R HA 0.079 4.419 4.340 -0.000 0.000 0.211 579 R C 1.045 177.317 176.300 -0.048 0.000 1.067 579 R CA 0.513 56.604 56.100 -0.015 0.000 1.010 579 R CB -0.122 30.168 30.300 -0.016 0.000 0.922 579 R HN 0.326 nan 8.270 nan 0.000 0.457 580 N N 1.343 119.990 118.700 -0.089 0.000 2.322 580 N HA 0.089 4.829 4.740 -0.000 0.000 0.216 580 N C 1.019 176.364 175.510 -0.275 0.000 1.144 580 N CA 0.202 53.158 53.050 -0.156 0.000 0.830 580 N CB 0.716 39.106 38.487 -0.163 0.000 1.034 580 N HN 0.151 nan 8.380 nan 0.000 0.484 581 A N 2.159 124.860 122.820 -0.199 0.000 1.894 581 A HA -0.300 4.020 4.320 -0.000 0.000 0.220 581 A C 2.110 179.516 177.584 -0.297 0.000 1.237 581 A CA 1.680 53.591 52.037 -0.210 0.000 0.660 581 A CB -0.506 18.525 19.000 0.053 0.000 0.835 581 A HN 0.346 nan 8.150 nan 0.000 0.461 582 N N -0.332 118.274 118.700 -0.157 0.000 2.025 582 N HA -0.180 4.560 4.740 -0.000 0.000 0.194 582 N C 2.169 177.563 175.510 -0.193 0.000 1.044 582 N CA 1.783 54.757 53.050 -0.127 0.000 0.851 582 N CB -0.785 37.661 38.487 -0.068 0.000 1.036 582 N HN 0.571 nan 8.380 nan 0.000 0.422 583 S N 1.662 117.245 115.700 -0.195 0.000 2.369 583 S HA -0.191 4.279 4.470 -0.000 0.000 0.225 583 S C 1.681 176.116 174.600 -0.275 0.000 1.043 583 S CA 1.504 59.594 58.200 -0.183 0.000 1.074 583 S CB -0.313 62.797 63.200 -0.150 0.000 0.962 583 S HN 0.271 nan 8.310 nan 0.000 0.433 584 N N 0.765 119.148 118.700 -0.527 0.000 2.036 584 N HA -0.099 4.641 4.740 -0.000 0.000 0.195 584 N C 1.904 177.001 175.510 -0.690 0.000 1.037 584 N CA 1.951 54.480 53.050 -0.868 0.000 0.855 584 N CB -1.539 35.856 38.487 -1.820 0.000 1.033 584 N HN 0.486 nan 8.380 nan 0.000 0.423 585 T N 1.388 115.604 114.554 -0.564 0.000 2.653 585 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 585 T C 1.953 176.614 174.700 -0.065 0.000 1.035 585 T CA 1.788 63.782 62.100 -0.177 0.000 1.154 585 T CB -0.423 68.412 68.868 -0.055 0.000 0.862 585 T HN 0.425 nan 8.240 nan 0.000 0.441 586 A N 0.896 123.671 122.820 -0.075 0.000 1.858 586 A HA 0.003 4.323 4.320 -0.000 0.000 0.216 586 A C 2.266 179.885 177.584 0.058 0.000 1.190 586 A CA 1.472 53.509 52.037 0.000 0.000 0.617 586 A CB -0.897 18.095 19.000 -0.014 0.000 0.827 586 A HN 0.417 nan 8.150 nan 0.000 0.443 587 L N -0.719 120.530 121.223 0.044 0.000 1.989 587 L HA -0.140 4.200 4.340 -0.000 0.000 0.211 587 L C 2.266 179.326 176.870 0.317 0.000 1.071 587 L CA 2.135 57.077 54.840 0.169 0.000 0.749 587 L CB -0.553 41.615 42.059 0.182 0.000 0.890 587 L HN 0.361 nan 8.230 nan 0.000 0.431 588 L N -1.295 120.073 121.223 0.242 0.000 2.131 588 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 588 L C 2.542 179.617 176.870 0.341 0.000 1.092 588 L CA 1.986 57.030 54.840 0.340 0.000 0.759 588 L CB -0.970 41.189 42.059 0.167 0.000 0.903 588 L HN 0.399 nan 8.230 nan 0.000 0.435 589 S N -0.937 114.899 115.700 0.227 0.000 2.383 589 S HA -0.105 4.365 4.470 -0.000 0.000 0.227 589 S C 2.083 176.810 174.600 0.212 0.000 1.026 589 S CA 0.784 59.100 58.200 0.194 0.000 0.981 589 S CB -0.136 63.141 63.200 0.128 0.000 0.818 589 S HN 0.508 nan 8.310 nan 0.000 0.472 590 R N -0.370 120.292 120.500 0.270 0.000 2.073 590 R HA -0.033 4.307 4.340 -0.000 0.000 0.229 590 R C 2.047 178.527 176.300 0.300 0.000 1.120 590 R CA 1.259 57.540 56.100 0.302 0.000 0.967 590 R CB -0.854 29.679 30.300 0.388 0.000 0.862 590 R HN 0.523 nan 8.270 nan 0.000 0.436 591 F N 2.116 122.205 119.950 0.232 0.000 2.091 591 F HA -0.231 4.296 4.527 -0.000 0.000 0.299 591 F C 2.039 177.748 175.800 -0.151 0.000 1.103 591 F CA 1.567 59.495 58.000 -0.121 0.000 1.228 591 F CB -0.302 38.758 39.000 0.100 0.000 0.984 591 F HN -0.119 nan 8.300 nan 0.000 0.477 592 L N -0.192 121.099 121.223 0.114 0.000 2.056 592 L HA -0.217 4.123 4.340 -0.000 0.000 0.207 592 L C 2.197 179.015 176.870 -0.086 0.000 1.078 592 L CA 1.518 56.359 54.840 0.001 0.000 0.749 592 L CB -0.861 41.290 42.059 0.152 0.000 0.901 592 L HN 0.094 nan 8.230 nan 0.000 0.433 593 D N 0.067 120.456 120.400 -0.019 0.000 2.263 593 D HA -0.123 4.517 4.640 -0.000 0.000 0.208 593 D C 1.814 178.066 176.300 -0.081 0.000 0.971 593 D CA 1.356 55.344 54.000 -0.020 0.000 0.867 593 D CB 0.312 41.133 40.800 0.036 0.000 0.929 593 D HN 0.363 nan 8.370 nan 0.000 0.492 594 A N -0.180 122.527 122.820 -0.189 0.000 2.308 594 A HA 0.065 4.385 4.320 -0.000 0.000 0.217 594 A C 2.100 179.471 177.584 -0.356 0.000 1.216 594 A CA 0.187 52.072 52.037 -0.254 0.000 0.864 594 A CB 0.003 18.808 19.000 -0.324 0.000 0.902 594 A HN 0.013 nan 8.150 nan 0.000 0.499 595 T N 1.793 116.107 114.554 -0.400 0.000 2.685 595 T HA -0.119 4.231 4.350 -0.000 0.000 0.268 595 T C -0.373 174.169 174.700 -0.263 0.000 1.034 595 T CA 2.134 63.996 62.100 -0.395 0.000 1.149 595 T CB -1.113 67.563 68.868 -0.321 0.000 0.860 595 T HN 0.376 nan 8.240 nan 0.000 0.449 596 P HA -0.053 nan 4.420 nan 0.000 0.222 596 P C 1.050 178.259 177.300 -0.151 0.000 1.142 596 P CA 0.817 63.845 63.100 -0.120 0.000 0.788 596 P CB -0.184 31.483 31.700 -0.056 0.000 0.767 597 N N -0.908 117.682 118.700 -0.183 0.000 2.289 597 N HA -0.099 4.641 4.740 -0.000 0.000 0.184 597 N C 1.449 176.823 175.510 -0.227 0.000 1.016 597 N CA 0.791 53.728 53.050 -0.188 0.000 0.872 597 N CB -0.921 37.447 38.487 -0.198 0.000 0.973 597 N HN 0.194 nan 8.380 nan 0.000 0.433 598 L N 0.064 121.127 121.223 -0.267 0.000 2.450 598 L HA -0.122 4.218 4.340 -0.000 0.000 0.224 598 L C 1.911 178.581 176.870 -0.333 0.000 1.149 598 L CA 0.114 54.768 54.840 -0.310 0.000 0.816 598 L CB -0.326 41.514 42.059 -0.366 0.000 0.932 598 L HN 0.204 nan 8.230 nan 0.000 0.449 599 L N 0.527 121.601 121.223 -0.249 0.000 2.089 599 L HA -0.187 4.153 4.340 -0.000 0.000 0.213 599 L C 2.349 179.135 176.870 -0.140 0.000 1.079 599 L CA 2.207 56.955 54.840 -0.154 0.000 0.758 599 L CB -1.015 40.937 42.059 -0.177 0.000 0.891 599 L HN 0.183 nan 8.230 nan 0.000 0.433 600 G N -0.453 108.234 108.800 -0.189 0.000 2.442 600 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.219 600 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.219 600 G C 1.637 176.484 174.900 -0.089 0.000 1.141 600 G CA 1.221 46.232 45.100 -0.148 0.000 0.763 600 G HN 0.507 nan 8.290 nan 0.000 0.554 601 I N -0.899 119.602 120.570 -0.115 0.000 2.202 601 I HA -0.157 4.013 4.170 -0.000 0.000 0.242 601 I C 2.460 178.601 176.117 0.040 0.000 1.091 601 I CA 0.944 62.205 61.300 -0.065 0.000 1.368 601 I CB -0.305 37.621 38.000 -0.123 0.000 1.058 601 I HN 0.228 nan 8.210 nan 0.000 0.410 602 Y N 1.377 121.637 120.300 -0.068 0.000 2.114 602 Y HA -0.338 4.212 4.550 -0.000 0.000 0.282 602 Y C 2.680 178.550 175.900 -0.050 0.000 1.165 602 Y CA 1.222 59.284 58.100 -0.063 0.000 1.148 602 Y CB -0.208 38.206 38.460 -0.077 0.000 0.972 602 Y HN 0.274 nan 8.280 nan 0.000 0.504 603 E N 0.138 120.405 120.200 0.111 0.000 2.058 603 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 603 E C 2.372 179.004 176.600 0.054 0.000 0.997 603 E CA 0.937 57.365 56.400 0.046 0.000 0.801 603 E CB -0.304 29.396 29.700 0.001 0.000 0.746 603 E HN 0.482 nan 8.360 nan 0.000 0.450 604 A N 1.798 124.650 122.820 0.053 0.000 1.841 604 A HA -0.169 4.151 4.320 -0.000 0.000 0.214 604 A C 2.229 179.857 177.584 0.073 0.000 1.195 604 A CA 1.143 53.219 52.037 0.065 0.000 0.611 604 A CB -0.523 18.508 19.000 0.052 0.000 0.835 604 A HN 0.089 nan 8.150 nan 0.000 0.443 605 I N 0.155 120.771 120.570 0.077 0.000 2.113 605 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 605 I C 2.545 178.702 176.117 0.066 0.000 1.064 605 I CA 1.421 62.765 61.300 0.073 0.000 1.320 605 I CB -1.604 36.447 38.000 0.085 0.000 1.028 605 I HN 0.297 nan 8.210 nan 0.000 0.406 606 L N 0.450 121.708 121.223 0.058 0.000 2.129 606 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 606 L C 2.691 179.600 176.870 0.065 0.000 1.087 606 L CA 1.419 56.281 54.840 0.036 0.000 0.757 606 L CB -0.478 41.578 42.059 -0.006 0.000 0.896 606 L HN 0.262 nan 8.230 nan 0.000 0.434 607 A N -0.492 122.374 122.820 0.076 0.000 1.929 607 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 607 A C 2.016 179.677 177.584 0.128 0.000 1.176 607 A CA 1.378 53.479 52.037 0.107 0.000 0.628 607 A CB -0.441 18.614 19.000 0.093 0.000 0.816 607 A HN 0.461 nan 8.150 nan 0.000 0.444 608 N N -0.089 118.671 118.700 0.099 0.000 2.270 608 N HA -0.110 4.630 4.740 -0.000 0.000 0.181 608 N C 1.538 177.104 175.510 0.093 0.000 1.016 608 N CA 1.814 54.916 53.050 0.086 0.000 0.870 608 N CB -0.255 38.274 38.487 0.069 0.000 0.979 608 N HN 0.660 nan 8.380 nan 0.000 0.431 609 T N -2.705 111.911 114.554 0.104 0.000 3.215 609 T HA -0.035 4.315 4.350 -0.000 0.000 0.254 609 T C 1.119 175.925 174.700 0.177 0.000 1.149 609 T CA 0.281 62.447 62.100 0.110 0.000 1.042 609 T CB -0.227 68.693 68.868 0.087 0.000 0.966 609 T HN 0.236 nan 8.240 nan 0.000 0.534 610 Y N -0.024 120.289 120.300 0.023 0.000 2.452 610 Y HA 0.708 5.258 4.550 -0.000 0.000 0.262 610 Y C 1.749 177.649 175.900 0.001 0.000 1.089 610 Y CA -0.260 57.848 58.100 0.013 0.000 1.262 610 Y CB 0.401 38.867 38.460 0.010 0.000 1.236 610 Y HN 0.280 nan 8.280 nan 0.000 0.512 611 A N -0.265 122.580 122.820 0.041 0.000 1.761 611 A HA 0.179 4.499 4.320 -0.000 0.000 0.168 611 A C 1.365 178.949 177.584 -0.001 0.000 1.884 611 A CA 0.590 52.600 52.037 -0.046 0.000 1.217 611 A CB -0.483 18.531 19.000 0.023 0.000 0.934 611 A HN 0.257 nan 8.150 nan 0.000 0.682 612 N N 1.236 119.956 118.700 0.034 0.000 2.051 612 N HA -0.211 4.529 4.740 -0.000 0.000 0.199 612 N C 1.559 177.088 175.510 0.033 0.000 1.045 612 N CA 2.887 55.958 53.050 0.034 0.000 0.884 612 N CB -0.340 38.175 38.487 0.046 0.000 1.082 612 N HN 0.570 nan 8.380 nan 0.000 0.495 613 A N 0.160 123.004 122.820 0.039 0.000 2.218 613 A HA 0.189 4.509 4.320 -0.000 0.000 0.209 613 A C 0.620 178.218 177.584 0.024 0.000 1.168 613 A CA -0.201 51.855 52.037 0.032 0.000 0.804 613 A CB -0.159 18.862 19.000 0.035 0.000 0.834 613 A HN 0.191 nan 8.150 nan 0.000 0.482 614 V N 2.052 121.990 119.914 0.041 0.000 2.617 614 V HA 0.189 4.309 4.120 -0.000 0.000 0.304 614 V C -0.214 175.902 176.094 0.037 0.000 1.040 614 V CA 0.429 62.763 62.300 0.057 0.000 1.149 614 V CB 0.427 32.301 31.823 0.086 0.000 0.914 614 V HN 0.667 nan 8.190 nan 0.000 0.487 615 N N 4.155 122.765 118.700 -0.149 0.000 2.591 615 N HA 0.199 4.939 4.740 -0.000 0.000 0.263 615 N C 0.362 175.283 175.510 -0.981 0.000 1.308 615 N CA -0.253 52.446 53.050 -0.585 0.000 0.837 615 N CB 2.193 40.484 38.487 -0.327 0.000 1.548 615 N HN 0.273 nan 8.380 nan 0.000 0.493 616 V N 1.686 120.577 119.914 -1.705 0.000 2.568 616 V HA -0.166 3.954 4.120 -0.000 0.000 0.253 616 V C 0.953 176.461 176.094 -0.977 0.000 1.072 616 V CA 1.498 62.920 62.300 -1.464 0.000 1.084 616 V CB -0.941 29.913 31.823 -1.615 0.000 0.676 616 V HN 0.604 nan 8.190 nan 0.000 0.469 617 Y N -1.415 118.640 120.300 -0.409 0.000 2.718 617 Y HA 0.310 4.860 4.550 -0.000 0.000 0.322 617 Y C 1.207 176.990 175.900 -0.196 0.000 1.122 617 Y CA -0.906 57.022 58.100 -0.287 0.000 1.348 617 Y CB -0.205 38.229 38.460 -0.042 0.000 1.174 617 Y HN 0.204 nan 8.280 nan 0.000 0.523 618 C N 0.601 119.803 119.300 -0.164 0.000 2.396 618 C HA 0.505 4.965 4.460 -0.000 0.000 0.359 618 C C 0.221 175.172 174.990 -0.065 0.000 1.307 618 C CA 0.045 59.031 59.018 -0.053 0.000 2.392 618 C CB 1.067 28.769 27.740 -0.063 0.000 2.245 618 C HN 0.525 nan 8.230 nan 0.000 0.615 619 D N -1.905 118.516 120.400 0.036 0.000 2.755 619 D HA 0.300 4.940 4.640 -0.000 0.000 0.277 619 D C -0.371 175.989 176.300 0.101 0.000 1.261 619 D CA -0.088 53.950 54.000 0.063 0.000 0.759 619 D CB 1.060 41.974 40.800 0.190 0.000 1.279 619 D HN 0.540 nan 8.370 nan 0.000 0.420 620 S N -1.119 114.644 115.700 0.104 0.000 2.893 620 S HA 0.262 4.732 4.470 -0.000 0.000 0.258 620 S C -0.237 174.437 174.600 0.124 0.000 1.034 620 S CA -0.276 57.987 58.200 0.105 0.000 1.167 620 S CB -0.025 63.221 63.200 0.078 0.000 1.137 620 S HN 0.261 nan 8.310 nan 0.000 0.650 621 V N 2.876 122.871 119.914 0.136 0.000 2.348 621 V HA 0.423 4.543 4.120 -0.000 0.000 0.270 621 V C -0.307 175.876 176.094 0.148 0.000 1.037 621 V CA -0.805 61.572 62.300 0.128 0.000 0.872 621 V CB -0.539 31.345 31.823 0.101 0.000 1.002 621 V HN 0.464 nan 8.190 nan 0.000 0.464 622 Y N 5.515 125.830 120.300 0.026 0.000 2.496 622 Y HA 0.325 4.875 4.550 -0.000 0.000 0.334 622 Y C 0.676 176.551 175.900 -0.041 0.000 1.080 622 Y CA -0.331 57.775 58.100 0.010 0.000 1.355 622 Y CB 0.337 38.814 38.460 0.029 0.000 1.193 622 Y HN 0.596 nan 8.280 nan 0.000 0.523 623 R N 4.936 125.081 120.500 -0.592 0.000 2.215 623 R HA 0.465 4.805 4.340 -0.000 0.000 0.337 623 R C 0.651 176.390 176.300 -0.934 0.000 1.010 623 R CA 0.224 55.942 56.100 -0.637 0.000 0.871 623 R CB 0.745 30.656 30.300 -0.648 0.000 1.134 623 R HN 0.894 nan 8.270 nan 0.000 0.477 624 A N 3.141 125.478 122.820 -0.804 0.000 2.167 624 A HA -0.106 4.214 4.320 -0.000 0.000 0.214 624 A C 1.171 178.443 177.584 -0.520 0.000 1.151 624 A CA 0.998 52.635 52.037 -0.667 0.000 0.735 624 A CB -0.050 18.784 19.000 -0.277 0.000 0.802 624 A HN 0.859 nan 8.150 nan 0.000 0.467 625 D N -0.316 119.823 120.400 -0.433 0.000 2.340 625 D HA 0.005 4.645 4.640 -0.000 0.000 0.220 625 D C 0.219 176.291 176.300 -0.381 0.000 1.039 625 D CA -0.065 53.713 54.000 -0.370 0.000 0.866 625 D CB -0.101 40.531 40.800 -0.280 0.000 0.913 625 D HN 0.245 nan 8.370 nan 0.000 0.523 626 I N 3.459 123.808 120.570 -0.369 0.000 2.471 626 I HA 0.135 4.305 4.170 -0.000 0.000 0.286 626 I C -2.011 173.885 176.117 -0.369 0.000 1.079 626 I CA -2.583 58.517 61.300 -0.333 0.000 1.398 626 I CB 0.111 38.035 38.000 -0.126 0.000 1.403 626 I HN -0.163 nan 8.210 nan 0.000 0.530 627 P HA 0.086 nan 4.420 nan 0.000 0.268 627 P C 0.959 178.113 177.300 -0.243 0.000 1.204 627 P CA -0.293 62.509 63.100 -0.496 0.000 0.768 627 P CB 1.243 32.441 31.700 -0.837 0.000 0.842 628 I N 2.330 122.834 120.570 -0.111 0.000 2.335 628 I HA -0.203 3.967 4.170 -0.000 0.000 0.251 628 I C 2.250 178.450 176.117 0.139 0.000 1.129 628 I CA 1.505 62.784 61.300 -0.036 0.000 1.402 628 I CB -1.483 36.454 38.000 -0.105 0.000 1.069 628 I HN 0.540 nan 8.210 nan 0.000 0.424 629 E N -0.008 120.277 120.200 0.142 0.000 2.265 629 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 629 E C 1.971 178.848 176.600 0.462 0.000 0.996 629 E CA 1.147 57.722 56.400 0.292 0.000 0.832 629 E CB 0.010 29.864 29.700 0.257 0.000 0.756 629 E HN 0.457 nan 8.360 nan 0.000 0.491 630 W N 1.362 122.727 121.300 0.107 0.000 2.576 630 W HA 0.141 4.801 4.660 -0.000 0.000 0.270 630 W C 0.599 177.185 176.519 0.112 0.000 1.255 630 W CA -0.040 57.357 57.345 0.086 0.000 1.314 630 W CB -0.136 29.363 29.460 0.066 0.000 1.101 630 W HN -0.148 nan 8.180 nan 0.000 0.595 631 K N 0.914 121.560 120.400 0.411 0.000 2.202 631 K HA 0.265 4.585 4.320 -0.000 0.000 0.264 631 K C 0.133 176.919 176.600 0.310 0.000 1.010 631 K CA -0.438 56.073 56.287 0.373 0.000 0.940 631 K CB 0.766 33.541 32.500 0.458 0.000 0.983 631 K HN -0.258 nan 8.250 nan 0.000 0.475 632 L N 3.447 124.783 121.223 0.188 0.000 2.395 632 L HA 0.250 4.590 4.340 -0.000 0.000 0.269 632 L C 0.524 177.381 176.870 -0.021 0.000 1.133 632 L CA -0.296 54.538 54.840 -0.010 0.000 0.812 632 L CB 0.309 42.373 42.059 0.009 0.000 1.125 632 L HN 0.751 nan 8.230 nan 0.000 0.452 633 H N 1.364 120.394 119.070 -0.067 0.000 2.980 633 H HA 0.691 5.247 4.556 -0.000 0.000 0.367 633 H C -1.601 173.606 175.328 -0.202 0.000 1.206 633 H CA -1.022 54.817 56.048 -0.348 0.000 1.126 633 H CB 2.307 31.650 29.762 -0.699 0.000 1.838 633 H HN 0.657 nan 8.280 nan 0.000 0.552 634 Q N 0.819 120.595 119.800 -0.040 0.000 2.687 634 Q HA 0.493 4.833 4.340 -0.000 0.000 0.295 634 Q C -1.678 174.226 176.000 -0.158 0.000 0.920 634 Q CA -1.097 54.683 55.803 -0.039 0.000 0.766 634 Q CB 2.042 30.770 28.738 -0.018 0.000 1.467 634 Q HN 0.761 nan 8.270 nan 0.000 0.415 635 S N 0.019 115.629 115.700 -0.149 0.000 2.593 635 S HA 0.862 5.332 4.470 -0.000 0.000 0.297 635 S C -0.084 174.365 174.600 -0.253 0.000 1.112 635 S CA -0.220 57.864 58.200 -0.192 0.000 1.043 635 S CB 1.670 64.797 63.200 -0.122 0.000 1.054 635 S HN 1.198 nan 8.310 nan 0.000 0.516 636 V N -1.253 118.472 119.914 -0.315 0.000 2.876 636 V HA 0.690 4.810 4.120 -0.000 0.000 0.312 636 V C -1.458 174.455 176.094 -0.301 0.000 1.085 636 V CA -0.823 61.267 62.300 -0.351 0.000 0.945 636 V CB 1.921 33.407 31.823 -0.562 0.000 1.017 636 V HN 0.904 nan 8.190 nan 0.000 0.428 637 D N 3.972 124.217 120.400 -0.260 0.000 2.329 637 D HA 0.541 5.181 4.640 -0.000 0.000 0.232 637 D C -1.983 174.112 176.300 -0.341 0.000 1.088 637 D CA -2.125 51.742 54.000 -0.221 0.000 0.835 637 D CB 2.423 43.150 40.800 -0.123 0.000 1.078 637 D HN 0.362 nan 8.370 nan 0.000 0.495 638 P HA -0.083 nan 4.420 nan 0.000 0.222 638 P C 1.169 178.247 177.300 -0.371 0.000 1.147 638 P CA 0.779 63.510 63.100 -0.616 0.000 0.790 638 P CB 0.364 31.635 31.700 -0.714 0.000 0.780 639 Q N -0.318 119.311 119.800 -0.285 0.000 2.226 639 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 639 Q C 1.410 177.373 176.000 -0.062 0.000 0.975 639 Q CA 1.169 56.880 55.803 -0.154 0.000 0.866 639 Q CB -0.372 28.334 28.738 -0.052 0.000 0.915 639 Q HN 0.192 nan 8.270 nan 0.000 0.440 640 D N 0.229 120.588 120.400 -0.067 0.000 2.221 640 D HA -0.162 4.478 4.640 -0.000 0.000 0.204 640 D C 1.551 177.885 176.300 0.057 0.000 0.982 640 D CA 0.565 54.569 54.000 0.007 0.000 0.857 640 D CB 0.014 40.808 40.800 -0.011 0.000 0.934 640 D HN 0.230 nan 8.370 nan 0.000 0.475 641 L N 0.787 122.019 121.223 0.014 0.000 2.450 641 L HA -0.095 4.245 4.340 -0.000 0.000 0.224 641 L C 1.922 178.864 176.870 0.121 0.000 1.149 641 L CA 0.716 55.591 54.840 0.058 0.000 0.816 641 L CB -0.488 41.607 42.059 0.060 0.000 0.932 641 L HN -0.015 nan 8.230 nan 0.000 0.449 642 L N -1.204 120.122 121.223 0.172 0.000 1.961 642 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 642 L C 2.245 179.336 176.870 0.368 0.000 1.072 642 L CA 1.999 57.029 54.840 0.316 0.000 0.749 642 L CB -0.982 41.234 42.059 0.262 0.000 0.889 642 L HN 0.303 nan 8.230 nan 0.000 0.432 643 F N 0.469 120.525 119.950 0.177 0.000 2.333 643 F HA 0.033 4.560 4.527 -0.000 0.000 0.300 643 F C 2.027 177.889 175.800 0.103 0.000 1.083 643 F CA 1.015 59.117 58.000 0.171 0.000 1.395 643 F CB -0.854 38.203 39.000 0.095 0.000 1.056 643 F HN 0.150 nan 8.300 nan 0.000 0.529 644 G N -0.046 108.753 108.800 -0.001 0.000 2.421 644 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.216 644 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.216 644 G C 1.784 176.542 174.900 -0.237 0.000 1.171 644 G CA 1.138 46.152 45.100 -0.144 0.000 0.775 644 G HN 0.302 nan 8.290 nan 0.000 0.543 645 V N 0.150 119.930 119.914 -0.223 0.000 2.295 645 V HA -0.093 4.027 4.120 -0.000 0.000 0.246 645 V C 2.460 178.283 176.094 -0.451 0.000 1.049 645 V CA 1.601 63.645 62.300 -0.427 0.000 1.024 645 V CB -0.593 30.797 31.823 -0.721 0.000 0.648 645 V HN 0.368 nan 8.190 nan 0.000 0.447 646 F N 0.403 120.253 119.950 -0.168 0.000 2.512 646 F HA 0.160 4.687 4.527 -0.000 0.000 0.296 646 F C 2.153 177.790 175.800 -0.272 0.000 1.110 646 F CA 0.995 58.913 58.000 -0.136 0.000 1.446 646 F CB -0.219 38.794 39.000 0.021 0.000 1.092 646 F HN 0.238 nan 8.300 nan 0.000 0.554 647 G N -0.401 108.134 108.800 -0.442 0.000 2.743 647 G HA2 0.184 4.144 3.960 -0.000 0.000 0.206 647 G HA3 0.184 4.144 3.960 -0.000 0.000 0.206 647 G C 0.634 175.262 174.900 -0.454 0.000 1.115 647 G CA -0.221 44.443 45.100 -0.726 0.000 0.782 647 G HN 0.066 nan 8.290 nan 0.000 0.524 648 I N 1.951 122.295 120.570 -0.377 0.000 2.683 648 I HA 0.098 4.268 4.170 -0.000 0.000 0.286 648 I C -0.355 175.665 176.117 -0.162 0.000 1.175 648 I CA 0.064 61.222 61.300 -0.237 0.000 1.429 648 I CB 1.571 39.445 38.000 -0.211 0.000 1.371 648 I HN -0.236 nan 8.210 nan 0.000 0.569 649 V N 8.664 128.509 119.914 -0.115 0.000 2.313 649 V HA 0.262 4.382 4.120 -0.000 0.000 0.278 649 V C -2.055 174.001 176.094 -0.063 0.000 1.017 649 V CA -1.713 60.553 62.300 -0.056 0.000 0.823 649 V CB 1.142 32.958 31.823 -0.013 0.000 1.010 649 V HN 0.600 nan 8.190 nan 0.000 0.443 650 P HA 0.090 nan 4.420 nan 0.000 0.269 650 P C 0.226 177.489 177.300 -0.063 0.000 1.217 650 P CA 0.026 62.974 63.100 -0.252 0.000 0.783 650 P CB 0.516 31.803 31.700 -0.688 0.000 0.898 651 Q N 0.126 119.892 119.800 -0.056 0.000 2.189 651 Q HA 0.107 4.447 4.340 -0.000 0.000 0.223 651 Q C -0.352 175.812 176.000 0.274 0.000 0.828 651 Q CA -0.234 55.657 55.803 0.146 0.000 0.967 651 Q CB 0.038 28.826 28.738 0.084 0.000 1.139 651 Q HN 0.448 nan 8.270 nan 0.000 0.497 652 Y N 2.043 122.372 120.300 0.049 0.000 2.986 652 Y HA -0.274 4.276 4.550 -0.000 0.000 0.200 652 Y C 0.486 176.453 175.900 0.111 0.000 1.324 652 Y CA 1.104 59.241 58.100 0.061 0.000 0.825 652 Y CB -1.537 36.952 38.460 0.050 0.000 1.251 652 Y HN 0.196 nan 8.280 nan 0.000 0.413 653 Q N 0.368 120.274 119.800 0.177 0.000 2.898 653 Q HA 0.322 4.662 4.340 -0.000 0.000 0.228 653 Q C -2.145 173.921 176.000 0.109 0.000 1.012 653 Q CA -0.738 55.180 55.803 0.192 0.000 0.972 653 Q CB 0.556 29.429 28.738 0.225 0.000 2.038 653 Q HN 0.280 nan 8.270 nan 0.000 0.497 654 I N 3.340 123.964 120.570 0.091 0.000 2.321 654 I HA 0.270 4.440 4.170 -0.000 0.000 0.291 654 I C 0.298 176.454 176.117 0.065 0.000 0.998 654 I CA -0.400 60.937 61.300 0.061 0.000 1.227 654 I CB 1.110 39.124 38.000 0.024 0.000 1.368 654 I HN 0.521 nan 8.210 nan 0.000 0.466 655 L N 7.501 128.768 121.223 0.073 0.000 2.423 655 L HA 0.332 4.672 4.340 -0.000 0.000 0.249 655 L C 0.441 177.348 176.870 0.062 0.000 1.276 655 L CA 0.300 55.178 54.840 0.063 0.000 1.199 655 L CB -0.921 41.181 42.059 0.071 0.000 1.407 655 L HN 0.455 nan 8.230 nan 0.000 0.410 656 N N 2.176 120.921 118.700 0.074 0.000 3.105 656 N HA -0.034 4.706 4.740 -0.000 0.000 0.309 656 N C 0.695 176.234 175.510 0.048 0.000 1.291 656 N CA 0.109 53.217 53.050 0.096 0.000 1.153 656 N CB 0.209 38.800 38.487 0.174 0.000 1.447 656 N HN 0.639 nan 8.380 nan 0.000 0.555 657 E N 0.174 120.389 120.200 0.026 0.000 2.208 657 E HA -0.021 4.329 4.350 -0.000 0.000 0.193 657 E C 0.871 177.470 176.600 -0.002 0.000 0.988 657 E CA 0.260 56.661 56.400 0.002 0.000 0.828 657 E CB 0.318 30.010 29.700 -0.014 0.000 0.763 657 E HN 0.468 nan 8.360 nan 0.000 0.478 658 A N 0.962 123.786 122.820 0.006 0.000 2.267 658 A HA 0.400 4.720 4.320 -0.000 0.000 0.271 658 A C -0.030 177.548 177.584 -0.010 0.000 1.131 658 A CA -0.294 51.744 52.037 0.002 0.000 0.818 658 A CB 0.822 19.829 19.000 0.011 0.000 1.118 658 A HN -0.010 nan 8.150 nan 0.000 0.501 659 V N 1.013 120.920 119.914 -0.011 0.000 2.733 659 V HA 0.422 4.542 4.120 -0.000 0.000 0.306 659 V C -2.471 173.618 176.094 -0.007 0.000 1.084 659 V CA -1.165 61.120 62.300 -0.025 0.000 0.905 659 V CB 1.805 33.617 31.823 -0.019 0.000 1.010 659 V HN 0.922 nan 8.190 nan 0.000 0.424 660 P HA 0.188 nan 4.420 nan 0.000 0.271 660 P C -0.733 176.612 177.300 0.075 0.000 1.218 660 P CA 0.096 63.215 63.100 0.031 0.000 0.780 660 P CB 1.183 32.902 31.700 0.033 0.000 0.901 661 D N 1.612 122.063 120.400 0.086 0.000 3.058 661 D HA 0.061 4.701 4.640 -0.000 0.000 0.272 661 D C 1.089 177.456 176.300 0.112 0.000 1.350 661 D CA -0.919 53.146 54.000 0.109 0.000 0.863 661 D CB -0.870 39.975 40.800 0.075 0.000 1.064 661 D HN 0.095 nan 8.370 nan 0.000 0.488 662 F N 0.307 120.201 119.950 -0.093 0.000 2.146 662 F HA -0.304 4.223 4.527 -0.000 0.000 0.298 662 F C 1.073 176.558 175.800 -0.526 0.000 1.053 662 F CA 1.713 59.517 58.000 -0.328 0.000 1.285 662 F CB -0.211 38.520 39.000 -0.448 0.000 1.039 662 F HN 0.159 nan 8.300 nan 0.000 0.497 663 F N -0.843 119.094 119.950 -0.022 0.000 2.695 663 F HA 0.423 4.950 4.527 -0.000 0.000 0.303 663 F C 1.255 177.050 175.800 -0.010 0.000 1.091 663 F CA 0.089 58.028 58.000 -0.103 0.000 1.300 663 F CB -0.807 38.210 39.000 0.028 0.000 1.071 663 F HN -0.061 nan 8.300 nan 0.000 0.578 664 A N 0.053 122.958 122.820 0.143 0.000 2.425 664 A HA 0.484 4.804 4.320 -0.000 0.000 0.242 664 A C 1.468 179.181 177.584 0.215 0.000 1.077 664 A CA 0.736 52.869 52.037 0.161 0.000 0.781 664 A CB -0.391 18.673 19.000 0.108 0.000 1.020 664 A HN 0.853 nan 8.150 nan 0.000 0.494 665 G N 0.153 109.070 108.800 0.195 0.000 2.201 665 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.212 665 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.212 665 G C 1.154 176.089 174.900 0.058 0.000 0.994 665 G CA 0.677 45.871 45.100 0.156 0.000 0.644 665 G HN 1.781 nan 8.290 nan 0.000 0.508 666 G N 0.462 109.363 108.800 0.168 0.000 2.511 666 G HA2 0.211 4.171 3.960 -0.000 0.000 0.217 666 G HA3 0.211 4.171 3.960 -0.000 0.000 0.217 666 G C 1.192 176.076 174.900 -0.027 0.000 1.133 666 G CA 1.520 46.630 45.100 0.016 0.000 0.792 666 G HN 0.552 nan 8.290 nan 0.000 0.539 667 E N 1.290 121.502 120.200 0.020 0.000 2.181 667 E HA -0.244 4.106 4.350 -0.000 0.000 0.225 667 E C 1.992 178.570 176.600 -0.037 0.000 1.073 667 E CA 1.977 58.382 56.400 0.008 0.000 0.916 667 E CB -0.183 29.533 29.700 0.027 0.000 0.793 667 E HN 0.337 nan 8.360 nan 0.000 0.472 668 D N -0.441 119.927 120.400 -0.053 0.000 2.084 668 D HA -0.105 4.535 4.640 -0.000 0.000 0.196 668 D C 2.045 178.214 176.300 -0.217 0.000 0.985 668 D CA 0.946 54.897 54.000 -0.082 0.000 0.826 668 D CB -0.285 40.507 40.800 -0.014 0.000 0.978 668 D HN 0.109 nan 8.370 nan 0.000 0.456 669 I N 1.117 121.564 120.570 -0.204 0.000 2.091 669 I HA -0.260 3.910 4.170 -0.000 0.000 0.239 669 I C 2.437 178.457 176.117 -0.162 0.000 1.061 669 I CA 0.708 61.889 61.300 -0.199 0.000 1.317 669 I CB -0.929 36.946 38.000 -0.208 0.000 1.031 669 I HN 0.014 nan 8.210 nan 0.000 0.401 670 L N 0.639 121.785 121.223 -0.128 0.000 2.010 670 L HA -0.268 4.072 4.340 -0.000 0.000 0.219 670 L C 2.427 179.177 176.870 -0.201 0.000 1.077 670 L CA 2.000 56.753 54.840 -0.145 0.000 0.773 670 L CB -0.766 41.223 42.059 -0.116 0.000 0.892 670 L HN 0.244 nan 8.230 nan 0.000 0.436 671 I N -1.333 119.108 120.570 -0.215 0.000 2.163 671 I HA -0.352 3.818 4.170 -0.000 0.000 0.243 671 I C 2.484 178.441 176.117 -0.266 0.000 1.085 671 I CA 1.487 62.639 61.300 -0.246 0.000 1.347 671 I CB -0.366 37.467 38.000 -0.279 0.000 1.044 671 I HN 0.309 nan 8.210 nan 0.000 0.408 672 L N 0.070 121.079 121.223 -0.357 0.000 2.012 672 L HA -0.277 4.063 4.340 -0.000 0.000 0.210 672 L C 2.721 179.639 176.870 0.079 0.000 1.073 672 L CA 1.522 56.238 54.840 -0.207 0.000 0.748 672 L CB -0.612 41.294 42.059 -0.255 0.000 0.891 672 L HN 0.340 nan 8.230 nan 0.000 0.431 673 Q N 0.132 119.924 119.800 -0.014 0.000 2.096 673 Q HA -0.228 4.112 4.340 -0.000 0.000 0.204 673 Q C 2.325 178.310 176.000 -0.025 0.000 0.982 673 Q CA 1.608 57.409 55.803 -0.004 0.000 0.850 673 Q CB -0.029 28.681 28.738 -0.048 0.000 0.901 673 Q HN 0.505 nan 8.270 nan 0.000 0.422 674 L N -0.091 121.079 121.223 -0.088 0.000 2.044 674 L HA -0.162 4.178 4.340 -0.000 0.000 0.205 674 L C 2.380 179.246 176.870 -0.007 0.000 1.075 674 L CA 0.747 55.527 54.840 -0.099 0.000 0.747 674 L CB -0.390 41.553 42.059 -0.193 0.000 0.903 674 L HN 0.311 nan 8.230 nan 0.000 0.435 675 I N -0.174 120.428 120.570 0.054 0.000 2.145 675 I HA -0.361 3.809 4.170 -0.000 0.000 0.244 675 I C 2.842 179.104 176.117 0.240 0.000 1.075 675 I CA 1.278 62.685 61.300 0.178 0.000 1.332 675 I CB -0.299 37.878 38.000 0.295 0.000 1.033 675 I HN 0.264 nan 8.210 nan 0.000 0.410 676 R N 1.467 122.104 120.500 0.229 0.000 2.066 676 R HA -0.090 4.250 4.340 -0.000 0.000 0.232 676 R C 2.192 178.501 176.300 0.014 0.000 1.131 676 R CA 1.889 57.997 56.100 0.013 0.000 0.955 676 R CB -0.758 29.411 30.300 -0.218 0.000 0.851 676 R HN 0.352 nan 8.270 nan 0.000 0.432 677 A N -0.412 122.413 122.820 0.008 0.000 1.969 677 A HA -0.047 4.273 4.320 -0.000 0.000 0.218 677 A C 2.237 179.824 177.584 0.005 0.000 1.169 677 A CA 1.565 53.602 52.037 -0.000 0.000 0.635 677 A CB -0.444 18.549 19.000 -0.012 0.000 0.810 677 A HN 0.189 nan 8.150 nan 0.000 0.445 678 V N -1.546 118.368 119.914 0.001 0.000 2.548 678 V HA -0.220 3.900 4.120 -0.000 0.000 0.249 678 V C 2.255 178.343 176.094 -0.010 0.000 1.055 678 V CA 1.693 63.961 62.300 -0.054 0.000 1.065 678 V CB -1.020 30.742 31.823 -0.101 0.000 0.681 678 V HN 0.730 nan 8.190 nan 0.000 0.462 679 Y N 1.542 121.812 120.300 -0.050 0.000 2.165 679 Y HA -0.284 4.266 4.550 -0.000 0.000 0.286 679 Y C 2.184 178.049 175.900 -0.058 0.000 1.155 679 Y CA 2.243 60.321 58.100 -0.037 0.000 1.164 679 Y CB -0.202 38.242 38.460 -0.026 0.000 0.978 679 Y HN 0.321 nan 8.280 nan 0.000 0.513 680 D N -0.921 119.527 120.400 0.080 0.000 2.077 680 D HA -0.179 4.461 4.640 -0.000 0.000 0.196 680 D C 2.233 178.477 176.300 -0.095 0.000 0.986 680 D CA 2.114 56.109 54.000 -0.008 0.000 0.829 680 D CB -0.734 40.084 40.800 0.030 0.000 0.983 680 D HN 0.297 nan 8.370 nan 0.000 0.453 681 T N -0.287 114.225 114.554 -0.071 0.000 2.822 681 T HA -0.133 4.217 4.350 -0.000 0.000 0.270 681 T C 1.884 176.498 174.700 -0.144 0.000 1.064 681 T CA 0.768 62.818 62.100 -0.083 0.000 1.131 681 T CB -0.259 68.582 68.868 -0.045 0.000 0.858 681 T HN 0.040 nan 8.240 nan 0.000 0.483 682 L N -0.215 120.897 121.223 -0.185 0.000 2.049 682 L HA -0.009 4.331 4.340 -0.000 0.000 0.203 682 L C 2.954 179.691 176.870 -0.221 0.000 1.074 682 L CA 1.033 55.744 54.840 -0.215 0.000 0.749 682 L CB -0.460 41.454 42.059 -0.242 0.000 0.907 682 L HN 0.214 nan 8.230 nan 0.000 0.439 683 S N 0.177 115.689 115.700 -0.313 0.000 2.353 683 S HA -0.189 4.281 4.470 -0.000 0.000 0.222 683 S C 1.697 176.213 174.600 -0.140 0.000 1.035 683 S CA 1.489 59.526 58.200 -0.271 0.000 1.025 683 S CB -0.466 62.500 63.200 -0.391 0.000 0.902 683 S HN 0.402 nan 8.310 nan 0.000 0.440 684 N N 1.366 119.998 118.700 -0.113 0.000 2.069 684 N HA -0.147 4.593 4.740 -0.000 0.000 0.196 684 N C 1.541 177.026 175.510 -0.042 0.000 1.024 684 N CA 1.367 54.383 53.050 -0.058 0.000 0.869 684 N CB -0.332 38.131 38.487 -0.040 0.000 1.035 684 N HN 0.473 nan 8.380 nan 0.000 0.434 685 K N 0.379 120.736 120.400 -0.071 0.000 2.148 685 K HA 0.050 4.370 4.320 -0.000 0.000 0.204 685 K C 1.976 178.569 176.600 -0.012 0.000 1.050 685 K CA 0.472 56.735 56.287 -0.039 0.000 0.942 685 K CB -0.075 32.312 32.500 -0.189 0.000 0.724 685 K HN 0.148 nan 8.250 nan 0.000 0.446 686 L N -0.138 121.058 121.223 -0.045 0.000 2.376 686 L HA -0.026 4.314 4.340 -0.000 0.000 0.219 686 L C 1.294 178.147 176.870 -0.029 0.000 1.133 686 L CA 0.707 55.529 54.840 -0.029 0.000 0.816 686 L CB -0.349 41.697 42.059 -0.023 0.000 0.933 686 L HN 0.517 nan 8.230 nan 0.000 0.449 687 G N 1.111 109.898 108.800 -0.023 0.000 2.168 687 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.263 687 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.263 687 G C 0.335 175.223 174.900 -0.020 0.000 0.977 687 G CA 0.732 45.823 45.100 -0.015 0.000 0.659 687 G HN 0.572 nan 8.290 nan 0.000 0.533 688 R N -2.112 118.370 120.500 -0.029 0.000 2.774 688 R HA 0.459 4.799 4.340 -0.000 0.000 0.279 688 R C -0.745 175.543 176.300 -0.020 0.000 1.022 688 R CA -0.739 55.349 56.100 -0.020 0.000 0.855 688 R CB -0.078 30.209 30.300 -0.021 0.000 1.279 688 R HN 0.069 nan 8.270 nan 0.000 0.485 689 N N 2.410 121.116 118.700 0.009 0.000 2.429 689 N HA 0.019 4.759 4.740 -0.000 0.000 0.271 689 N C -1.368 174.175 175.510 0.054 0.000 1.272 689 N CA -1.244 51.833 53.050 0.044 0.000 0.921 689 N CB 0.883 39.426 38.487 0.095 0.000 1.128 689 N HN 0.463 nan 8.380 nan 0.000 0.481 690 P HA -0.225 nan 4.420 nan 0.000 0.218 690 P C 0.689 178.126 177.300 0.229 0.000 1.152 690 P CA 1.445 64.648 63.100 0.172 0.000 0.857 690 P CB 0.067 31.820 31.700 0.089 0.000 0.787 691 A N -0.617 122.325 122.820 0.203 0.000 2.248 691 A HA -0.123 4.197 4.320 -0.000 0.000 0.210 691 A C 1.726 179.359 177.584 0.082 0.000 1.174 691 A CA 1.334 53.480 52.037 0.182 0.000 0.750 691 A CB -0.971 18.165 19.000 0.226 0.000 0.780 691 A HN 0.071 nan 8.150 nan 0.000 0.478 692 D N -0.234 120.190 120.400 0.040 0.000 2.234 692 D HA -0.022 4.618 4.640 -0.000 0.000 0.205 692 D C 1.558 177.813 176.300 -0.075 0.000 0.962 692 D CA 1.479 55.471 54.000 -0.013 0.000 0.855 692 D CB 0.038 40.828 40.800 -0.017 0.000 0.951 692 D HN 0.757 nan 8.370 nan 0.000 0.500 693 I N -5.102 115.383 120.570 -0.141 0.000 4.442 693 I HA 0.310 4.480 4.170 -0.000 0.000 0.331 693 I C -0.401 175.474 176.117 -0.404 0.000 1.364 693 I CA -0.316 60.814 61.300 -0.283 0.000 1.207 693 I CB 0.329 38.094 38.000 -0.391 0.000 1.298 693 I HN -0.311 nan 8.210 nan 0.000 0.463 694 F N 1.391 121.334 119.950 -0.012 0.000 2.563 694 F HA 0.568 5.095 4.527 -0.000 0.000 0.316 694 F C 0.446 176.223 175.800 -0.039 0.000 1.076 694 F CA -0.950 57.050 58.000 0.000 0.000 0.921 694 F CB 1.294 40.318 39.000 0.040 0.000 1.209 694 F HN -0.084 nan 8.300 nan 0.000 0.462 695 H N 2.750 121.979 119.070 0.264 0.000 2.562 695 H HA 0.160 4.715 4.556 -0.000 0.000 0.352 695 H C 0.810 176.224 175.328 0.143 0.000 1.125 695 H CA 0.014 56.146 56.048 0.140 0.000 1.379 695 H CB 1.706 31.511 29.762 0.071 0.000 1.464 695 H HN 0.604 nan 8.280 nan 0.000 0.563 696 L N 2.519 123.898 121.223 0.259 0.000 2.043 696 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 696 L C 2.133 179.165 176.870 0.270 0.000 1.075 696 L CA 1.591 56.588 54.840 0.263 0.000 0.752 696 L CB -0.372 41.831 42.059 0.240 0.000 0.891 696 L HN 0.638 nan 8.230 nan 0.000 0.432 697 E N -0.407 119.839 120.200 0.077 0.000 2.187 697 E HA -0.249 4.101 4.350 -0.000 0.000 0.199 697 E C 2.126 178.750 176.600 0.040 0.000 1.004 697 E CA 1.461 57.848 56.400 -0.022 0.000 0.813 697 E CB -0.174 29.474 29.700 -0.087 0.000 0.736 697 E HN 0.540 nan 8.360 nan 0.000 0.468 698 E N -0.269 119.968 120.200 0.062 0.000 2.028 698 E HA -0.112 4.238 4.350 -0.000 0.000 0.190 698 E C 2.133 178.663 176.600 -0.117 0.000 0.984 698 E CA 1.162 57.543 56.400 -0.032 0.000 0.800 698 E CB 0.002 29.684 29.700 -0.030 0.000 0.758 698 E HN 0.062 nan 8.360 nan 0.000 0.448 699 V N 0.945 120.796 119.914 -0.105 0.000 2.392 699 V HA -0.258 3.862 4.120 -0.000 0.000 0.249 699 V C 1.965 177.940 176.094 -0.197 0.000 1.059 699 V CA 1.681 63.869 62.300 -0.187 0.000 1.051 699 V CB -0.564 31.185 31.823 -0.123 0.000 0.658 699 V HN 0.194 nan 8.190 nan 0.000 0.455 700 F N 0.431 120.274 119.950 -0.179 0.000 2.146 700 F HA -0.131 4.396 4.527 -0.000 0.000 0.298 700 F C 2.452 178.173 175.800 -0.132 0.000 1.096 700 F CA 2.018 59.902 58.000 -0.194 0.000 1.275 700 F CB -0.433 38.386 39.000 -0.302 0.000 1.008 700 F HN 0.014 nan 8.300 nan 0.000 0.480 701 K N 0.450 120.877 120.400 0.046 0.000 2.103 701 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 701 K C 1.917 178.499 176.600 -0.031 0.000 1.048 701 K CA 1.501 57.786 56.287 -0.002 0.000 0.930 701 K CB -0.209 32.276 32.500 -0.025 0.000 0.716 701 K HN 0.132 nan 8.250 nan 0.000 0.444 702 V N 1.545 121.414 119.914 -0.075 0.000 2.283 702 V HA -0.235 3.885 4.120 -0.000 0.000 0.243 702 V C 2.309 178.351 176.094 -0.087 0.000 1.039 702 V CA 1.668 63.912 62.300 -0.093 0.000 1.016 702 V CB -0.351 31.382 31.823 -0.150 0.000 0.650 702 V HN 0.307 nan 8.190 nan 0.000 0.449 703 I N -0.062 120.451 120.570 -0.096 0.000 2.248 703 I HA -0.310 3.860 4.170 -0.000 0.000 0.248 703 I C 2.564 178.660 176.117 -0.035 0.000 1.107 703 I CA 1.775 63.031 61.300 -0.072 0.000 1.373 703 I CB -0.398 37.568 38.000 -0.057 0.000 1.055 703 I HN 0.441 nan 8.210 nan 0.000 0.418 704 E N 0.732 120.930 120.200 -0.003 0.000 2.007 704 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 704 E C 2.133 178.733 176.600 -0.000 0.000 0.999 704 E CA 1.375 57.789 56.400 0.023 0.000 0.811 704 E CB -0.098 29.627 29.700 0.042 0.000 0.762 704 E HN 0.418 nan 8.360 nan 0.000 0.450 705 E N 0.341 120.536 120.200 -0.007 0.000 2.086 705 E HA -0.251 4.099 4.350 -0.000 0.000 0.200 705 E C 2.150 178.742 176.600 -0.014 0.000 1.012 705 E CA 1.255 57.655 56.400 -0.001 0.000 0.812 705 E CB -0.163 29.540 29.700 0.004 0.000 0.743 705 E HN 0.300 nan 8.360 nan 0.000 0.453 706 I N 0.224 120.752 120.570 -0.070 0.000 2.142 706 I HA -0.259 3.911 4.170 -0.000 0.000 0.240 706 I C 2.420 178.456 176.117 -0.136 0.000 1.078 706 I CA 0.792 61.991 61.300 -0.168 0.000 1.343 706 I CB -0.321 37.464 38.000 -0.358 0.000 1.046 706 I HN 0.019 nan 8.210 nan 0.000 0.405 707 V N 0.554 120.409 119.914 -0.099 0.000 2.332 707 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 707 V C 2.577 178.667 176.094 -0.007 0.000 1.055 707 V CA 2.257 64.522 62.300 -0.057 0.000 1.038 707 V CB -0.642 31.163 31.823 -0.029 0.000 0.651 707 V HN 0.399 nan 8.190 nan 0.000 0.450 708 S N -0.129 115.576 115.700 0.009 0.000 2.365 708 S HA -0.209 4.261 4.470 -0.000 0.000 0.225 708 S C 1.984 176.616 174.600 0.053 0.000 1.039 708 S CA 1.721 59.941 58.200 0.033 0.000 1.033 708 S CB -0.386 62.833 63.200 0.032 0.000 0.887 708 S HN 0.410 nan 8.310 nan 0.000 0.447 709 V N 1.987 121.937 119.914 0.060 0.000 2.407 709 V HA -0.123 3.997 4.120 -0.000 0.000 0.248 709 V C 2.098 178.266 176.094 0.123 0.000 1.055 709 V CA 1.367 63.724 62.300 0.096 0.000 1.049 709 V CB -0.734 31.167 31.823 0.131 0.000 0.662 709 V HN 0.429 nan 8.190 nan 0.000 0.455 710 L N -0.459 120.841 121.223 0.130 0.000 2.201 710 L HA -0.085 4.255 4.340 -0.000 0.000 0.212 710 L C 2.001 179.028 176.870 0.261 0.000 1.105 710 L CA 0.971 55.941 54.840 0.217 0.000 0.775 710 L CB -0.291 41.889 42.059 0.202 0.000 0.913 710 L HN 0.258 nan 8.230 nan 0.000 0.440 711 V N -2.258 117.748 119.914 0.153 0.000 3.645 711 V HA 0.063 4.183 4.120 -0.000 0.000 0.275 711 V C 0.487 176.643 176.094 0.103 0.000 1.356 711 V CA -0.064 62.322 62.300 0.142 0.000 1.051 711 V CB -0.006 31.860 31.823 0.073 0.000 0.828 711 V HN 0.470 nan 8.190 nan 0.000 0.441 712 Q N 0.881 120.732 119.800 0.085 0.000 2.459 712 Q HA -0.238 4.102 4.340 -0.000 0.000 0.322 712 Q C -0.082 175.951 176.000 0.055 0.000 1.427 712 Q CA 0.766 56.608 55.803 0.065 0.000 0.861 712 Q CB -1.152 27.623 28.738 0.063 0.000 1.137 712 Q HN 0.775 nan 8.270 nan 0.000 0.394 713 Q N -0.225 119.605 119.800 0.050 0.000 2.545 713 Q HA 0.313 4.653 4.340 -0.000 0.000 0.273 713 Q C -1.515 174.508 176.000 0.038 0.000 0.975 713 Q CA -0.889 54.939 55.803 0.042 0.000 0.876 713 Q CB 1.502 30.266 28.738 0.045 0.000 1.472 713 Q HN 0.198 nan 8.270 nan 0.000 0.389 714 K N 2.331 122.750 120.400 0.032 0.000 2.383 714 K HA 0.287 4.607 4.320 -0.000 0.000 0.286 714 K C -0.592 176.031 176.600 0.037 0.000 1.051 714 K CA -0.063 56.241 56.287 0.029 0.000 0.974 714 K CB 0.467 32.978 32.500 0.018 0.000 0.968 714 K HN 0.303 nan 8.250 nan 0.000 0.475 715 I N 2.094 122.692 120.570 0.046 0.000 2.607 715 I HA 0.104 4.274 4.170 -0.000 0.000 0.305 715 I C -0.406 175.758 176.117 0.079 0.000 0.995 715 I CA -0.442 60.903 61.300 0.075 0.000 1.148 715 I CB 1.703 39.748 38.000 0.075 0.000 1.323 715 I HN 0.502 nan 8.210 nan 0.000 0.461 716 D N 4.112 124.580 120.400 0.113 0.000 2.378 716 D HA 0.280 4.920 4.640 -0.000 0.000 0.265 716 D C 0.697 177.106 176.300 0.182 0.000 1.229 716 D CA -0.299 53.752 54.000 0.087 0.000 0.914 716 D CB 0.935 41.739 40.800 0.006 0.000 1.140 716 D HN 0.194 nan 8.370 nan 0.000 0.516 717 V N 3.926 123.994 119.914 0.257 0.000 2.278 717 V HA -0.335 3.785 4.120 -0.000 0.000 0.251 717 V C 2.418 178.799 176.094 0.479 0.000 1.062 717 V CA 1.980 64.550 62.300 0.451 0.000 1.038 717 V CB -0.535 31.628 31.823 0.568 0.000 0.646 717 V HN 0.526 nan 8.190 nan 0.000 0.447 718 R N 0.940 121.555 120.500 0.193 0.000 2.134 718 R HA -0.276 4.064 4.340 -0.000 0.000 0.248 718 R C 2.358 178.796 176.300 0.231 0.000 1.143 718 R CA 2.316 58.503 56.100 0.146 0.000 0.957 718 R CB -0.657 29.531 30.300 -0.186 0.000 0.867 718 R HN 0.767 nan 8.270 nan 0.000 0.441 719 K N -0.331 120.070 120.400 0.002 0.000 2.218 719 K HA -0.211 4.109 4.320 -0.000 0.000 0.205 719 K C 1.468 177.855 176.600 -0.355 0.000 1.046 719 K CA 1.828 58.003 56.287 -0.187 0.000 0.933 719 K CB -0.401 31.902 32.500 -0.328 0.000 0.728 719 K HN 0.275 nan 8.250 nan 0.000 0.454 720 Y N 0.429 120.547 120.300 -0.303 0.000 2.439 720 Y HA 0.016 4.566 4.550 -0.000 0.000 0.292 720 Y C 0.303 175.700 175.900 -0.838 0.000 1.130 720 Y CA 0.391 58.072 58.100 -0.697 0.000 1.254 720 Y CB 0.080 37.901 38.460 -1.064 0.000 1.000 720 Y HN -0.054 nan 8.280 nan 0.000 0.554 721 F N 0.546 120.551 119.950 0.091 0.000 2.310 721 F HA 0.392 4.919 4.527 -0.000 0.000 0.365 721 F C 0.150 175.894 175.800 -0.092 0.000 1.080 721 F CA -1.056 56.956 58.000 0.020 0.000 1.187 721 F CB 0.182 39.259 39.000 0.128 0.000 1.465 721 F HN -0.290 nan 8.300 nan 0.000 0.496 722 T N -2.953 111.598 114.554 -0.005 0.000 2.907 722 T HA 0.352 4.702 4.350 -0.000 0.000 0.290 722 T C 0.812 175.526 174.700 0.023 0.000 1.066 722 T CA -0.806 61.276 62.100 -0.029 0.000 1.012 722 T CB 2.224 71.052 68.868 -0.066 0.000 1.184 722 T HN 0.196 nan 8.240 nan 0.000 0.522 723 E N 0.616 120.850 120.200 0.056 0.000 2.268 723 E HA 0.068 4.418 4.350 -0.000 0.000 0.195 723 E C 0.880 177.644 176.600 0.272 0.000 0.995 723 E CA 0.911 57.408 56.400 0.162 0.000 0.836 723 E CB 0.005 29.772 29.700 0.111 0.000 0.763 723 E HN 0.843 nan 8.360 nan 0.000 0.491 724 S N -2.127 113.637 115.700 0.107 0.000 2.643 724 S HA 0.228 4.698 4.470 -0.000 0.000 0.266 724 S C 0.512 175.062 174.600 -0.083 0.000 1.130 724 S CA -0.736 57.505 58.200 0.068 0.000 0.817 724 S CB 0.508 63.826 63.200 0.198 0.000 1.107 724 S HN -0.192 nan 8.310 nan 0.000 0.471 725 M N 0.757 120.286 119.600 -0.119 0.000 2.279 725 M HA 0.025 4.505 4.480 -0.000 0.000 0.264 725 M C 2.028 178.293 176.300 -0.058 0.000 1.062 725 M CA 1.331 56.557 55.300 -0.123 0.000 1.099 725 M CB -1.351 31.184 32.600 -0.108 0.000 1.394 725 M HN 0.878 nan 8.290 nan 0.000 0.426 726 R N 0.457 120.952 120.500 -0.007 0.000 2.109 726 R HA -0.102 4.238 4.340 -0.000 0.000 0.227 726 R C 0.931 177.228 176.300 -0.005 0.000 1.132 726 R CA 1.697 57.802 56.100 0.009 0.000 0.907 726 R CB -0.234 30.091 30.300 0.041 0.000 0.825 726 R HN 0.424 nan 8.270 nan 0.000 0.432 727 S N -1.399 114.302 115.700 0.002 0.000 2.580 727 S HA 0.260 4.730 4.470 -0.000 0.000 0.274 727 S C 0.780 175.367 174.600 -0.021 0.000 1.329 727 S CA -0.402 57.795 58.200 -0.003 0.000 1.036 727 S CB 1.886 65.092 63.200 0.011 0.000 0.919 727 S HN 0.432 nan 8.310 nan 0.000 0.515 728 G N 0.581 109.369 108.800 -0.020 0.000 3.189 728 G HA2 0.185 4.145 3.960 -0.000 0.000 0.225 728 G HA3 0.185 4.145 3.960 -0.000 0.000 0.225 728 G C 0.301 175.199 174.900 -0.004 0.000 1.159 728 G CA -0.282 44.800 45.100 -0.030 0.000 0.763 728 G HN 0.743 nan 8.290 nan 0.000 0.549 729 S N 0.533 116.241 115.700 0.012 0.000 2.505 729 S HA 0.392 4.862 4.470 -0.000 0.000 0.276 729 S C 0.036 174.680 174.600 0.073 0.000 1.274 729 S CA -0.914 57.312 58.200 0.043 0.000 1.053 729 S CB 0.043 63.263 63.200 0.033 0.000 0.919 729 S HN 0.228 nan 8.310 nan 0.000 0.490 730 F N 4.765 124.693 119.950 -0.037 0.000 2.589 730 F HA 0.328 4.855 4.527 -0.000 0.000 0.352 730 F C 0.563 176.374 175.800 0.019 0.000 1.168 730 F CA 0.569 58.554 58.000 -0.024 0.000 1.353 730 F CB 0.594 39.530 39.000 -0.106 0.000 1.116 730 F HN 0.453 nan 8.300 nan 0.000 0.608 731 S N 5.597 120.635 115.700 -1.104 0.000 2.721 731 S HA 0.207 4.677 4.470 -0.000 0.000 0.264 731 S C 0.590 174.705 174.600 -0.808 0.000 1.161 731 S CA -0.770 57.029 58.200 -0.668 0.000 1.113 731 S CB 0.913 63.964 63.200 -0.249 0.000 1.079 731 S HN 0.941 nan 8.310 nan 0.000 0.479 732 K N 5.116 125.246 120.400 -0.450 0.000 2.044 732 K HA -0.036 4.284 4.320 -0.000 0.000 0.210 732 K C -0.837 175.793 176.600 0.049 0.000 1.049 732 K CA 2.088 58.357 56.287 -0.030 0.000 0.927 732 K CB -0.726 31.888 32.500 0.190 0.000 0.713 732 K HN 0.522 nan 8.250 nan 0.000 0.443 733 P HA -0.201 nan 4.420 nan 0.000 0.217 733 P C 0.770 178.101 177.300 0.051 0.000 1.148 733 P CA 1.402 64.524 63.100 0.036 0.000 0.828 733 P CB -0.028 31.685 31.700 0.022 0.000 0.783 734 R N -1.137 119.395 120.500 0.052 0.000 2.100 734 R HA -0.037 4.303 4.340 -0.000 0.000 0.220 734 R C 2.303 178.706 176.300 0.172 0.000 1.091 734 R CA 0.830 57.024 56.100 0.156 0.000 0.986 734 R CB -1.482 28.955 30.300 0.228 0.000 0.888 734 R HN 0.446 nan 8.270 nan 0.000 0.444 735 W N 2.389 123.598 121.300 -0.151 0.000 2.381 735 W HA -0.179 4.481 4.660 -0.000 0.000 0.301 735 W C 0.523 176.982 176.519 -0.100 0.000 1.205 735 W CA 1.213 58.355 57.345 -0.337 0.000 1.285 735 W CB -0.057 29.334 29.460 -0.116 0.000 1.133 735 W HN 0.026 nan 8.180 nan 0.000 0.521 736 D N 0.649 121.020 120.400 -0.048 0.000 2.087 736 D HA -0.229 4.411 4.640 -0.000 0.000 0.192 736 D C 1.670 177.857 176.300 -0.189 0.000 0.993 736 D CA 1.884 55.797 54.000 -0.145 0.000 0.828 736 D CB -0.854 39.951 40.800 0.008 0.000 0.968 736 D HN 0.131 nan 8.370 nan 0.000 0.448 737 N N -0.684 117.979 118.700 -0.061 0.000 2.272 737 N HA -0.147 4.593 4.740 -0.000 0.000 0.185 737 N C 1.384 176.869 175.510 -0.042 0.000 1.014 737 N CA 0.381 53.410 53.050 -0.035 0.000 0.870 737 N CB -0.220 38.291 38.487 0.040 0.000 0.975 737 N HN 0.099 nan 8.380 nan 0.000 0.433 738 F N 0.600 120.412 119.950 -0.231 0.000 2.234 738 F HA 0.063 4.590 4.527 -0.000 0.000 0.299 738 F C 1.466 177.007 175.800 -0.431 0.000 1.087 738 F CA 0.997 58.850 58.000 -0.246 0.000 1.340 738 F CB -0.067 38.797 39.000 -0.227 0.000 1.031 738 F HN 0.004 nan 8.300 nan 0.000 0.500 739 L N -0.369 120.426 121.223 -0.714 0.000 2.418 739 L HA 0.032 4.372 4.340 -0.000 0.000 0.218 739 L C 2.257 178.828 176.870 -0.498 0.000 1.125 739 L CA 0.375 54.712 54.840 -0.838 0.000 0.835 739 L CB -0.454 41.023 42.059 -0.969 0.000 0.953 739 L HN -0.053 nan 8.230 nan 0.000 0.454 740 R N 0.006 120.303 120.500 -0.339 0.000 2.316 740 R HA -0.013 4.327 4.340 -0.000 0.000 0.202 740 R C 0.922 177.102 176.300 -0.200 0.000 1.029 740 R CA 0.282 56.253 56.100 -0.215 0.000 1.018 740 R CB 0.026 30.241 30.300 -0.142 0.000 0.888 740 R HN 0.085 nan 8.270 nan 0.000 0.471 741 R N 1.999 122.341 120.500 -0.263 0.000 2.332 741 R HA 0.202 4.542 4.340 -0.000 0.000 0.306 741 R C -2.420 173.722 176.300 -0.265 0.000 1.117 741 R CA -1.969 54.002 56.100 -0.216 0.000 1.108 741 R CB 0.885 31.079 30.300 -0.177 0.000 1.126 741 R HN -0.025 nan 8.270 nan 0.000 0.548 742 P HA -0.056 nan 4.420 nan 0.000 0.267 742 P C -0.085 177.130 177.300 -0.142 0.000 1.201 742 P CA -0.132 62.869 63.100 -0.164 0.000 0.775 742 P CB 0.658 32.296 31.700 -0.104 0.000 0.854 743 V N 1.152 120.994 119.914 -0.121 0.000 2.506 743 V HA 0.035 4.155 4.120 -0.000 0.000 0.296 743 V C 1.780 177.842 176.094 -0.053 0.000 1.004 743 V CA 0.828 63.077 62.300 -0.086 0.000 1.150 743 V CB -0.887 30.902 31.823 -0.057 0.000 0.911 743 V HN 0.790 nan 8.190 nan 0.000 0.476 744 A N 4.199 126.994 122.820 -0.042 0.000 1.871 744 A HA 0.115 4.435 4.320 -0.000 0.000 0.211 744 A C 1.075 178.661 177.584 0.003 0.000 1.207 744 A CA 0.539 52.566 52.037 -0.017 0.000 0.620 744 A CB -0.038 18.957 19.000 -0.008 0.000 0.860 744 A HN 0.824 nan 8.150 nan 0.000 0.450 745 Q N -1.034 118.774 119.800 0.014 0.000 2.240 745 Q HA 0.510 4.850 4.340 -0.000 0.000 0.260 745 Q C -0.508 175.508 176.000 0.027 0.000 1.018 745 Q CA -0.948 54.872 55.803 0.029 0.000 0.898 745 Q CB 1.530 30.297 28.738 0.048 0.000 1.301 745 Q HN 0.382 nan 8.270 nan 0.000 0.469 746 R N 0.711 121.231 120.500 0.034 0.000 2.543 746 R HA 0.133 4.473 4.340 -0.000 0.000 0.277 746 R C -0.527 175.802 176.300 0.047 0.000 1.074 746 R CA -0.425 55.695 56.100 0.035 0.000 1.076 746 R CB 0.345 30.665 30.300 0.035 0.000 0.993 746 R HN 0.417 nan 8.270 nan 0.000 0.459 747 L N 6.226 127.479 121.223 0.050 0.000 2.483 747 L HA 0.139 4.479 4.340 -0.000 0.000 0.276 747 L C -1.785 175.147 176.870 0.104 0.000 1.213 747 L CA -1.116 53.768 54.840 0.073 0.000 0.843 747 L CB 0.290 42.399 42.059 0.082 0.000 1.107 747 L HN 0.613 nan 8.230 nan 0.000 0.487 748 P HA -0.060 nan 4.420 nan 0.000 0.266 748 P C 0.293 177.679 177.300 0.142 0.000 1.195 748 P CA 0.036 63.231 63.100 0.158 0.000 0.768 748 P CB 0.427 32.256 31.700 0.216 0.000 0.838 749 N N 1.323 120.062 118.700 0.065 0.000 2.089 749 N HA -0.227 4.513 4.740 -0.000 0.000 0.198 749 N C 1.655 177.134 175.510 -0.051 0.000 1.017 749 N CA 1.534 54.586 53.050 0.004 0.000 0.880 749 N CB -0.357 38.115 38.487 -0.025 0.000 1.042 749 N HN 0.339 nan 8.380 nan 0.000 0.446 750 L N 0.766 121.920 121.223 -0.116 0.000 2.013 750 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 750 L C 1.799 178.444 176.870 -0.376 0.000 1.073 750 L CA 1.790 56.448 54.840 -0.303 0.000 0.753 750 L CB -1.242 40.534 42.059 -0.473 0.000 0.890 750 L HN 0.234 nan 8.230 nan 0.000 0.432 751 Y N -1.199 119.102 120.300 0.003 0.000 2.286 751 Y HA -0.045 4.505 4.550 -0.000 0.000 0.293 751 Y C 3.003 178.912 175.900 0.014 0.000 1.124 751 Y CA 1.256 59.366 58.100 0.017 0.000 1.178 751 Y CB -0.923 37.550 38.460 0.022 0.000 1.010 751 Y HN 0.276 nan 8.280 nan 0.000 0.536 752 S N -0.080 115.695 115.700 0.125 0.000 2.370 752 S HA -0.176 4.294 4.470 -0.000 0.000 0.226 752 S C 2.144 176.748 174.600 0.007 0.000 1.033 752 S CA 1.480 59.718 58.200 0.064 0.000 1.011 752 S CB -0.656 62.568 63.200 0.040 0.000 0.852 752 S HN 0.214 nan 8.310 nan 0.000 0.457 753 V N 2.858 122.753 119.914 -0.031 0.000 2.255 753 V HA -0.181 3.939 4.120 -0.000 0.000 0.247 753 V C 2.417 178.475 176.094 -0.060 0.000 1.051 753 V CA 1.745 64.004 62.300 -0.068 0.000 1.018 753 V CB -0.672 31.090 31.823 -0.103 0.000 0.641 753 V HN 0.488 nan 8.190 nan 0.000 0.445 754 I N -0.555 119.995 120.570 -0.034 0.000 2.087 754 I HA -0.354 3.816 4.170 -0.000 0.000 0.240 754 I C 2.516 178.645 176.117 0.020 0.000 1.054 754 I CA 2.289 63.590 61.300 0.001 0.000 1.311 754 I CB -0.949 37.102 38.000 0.084 0.000 1.024 754 I HN 0.331 nan 8.210 nan 0.000 0.402 755 M N -0.133 119.531 119.600 0.106 0.000 2.086 755 M HA -0.185 4.295 4.480 -0.000 0.000 0.261 755 M C 2.310 178.599 176.300 -0.019 0.000 1.067 755 M CA 2.004 57.385 55.300 0.136 0.000 1.116 755 M CB -0.585 32.117 32.600 0.171 0.000 1.348 755 M HN 0.240 nan 8.290 nan 0.000 0.407 756 T N -0.268 114.238 114.554 -0.080 0.000 2.720 756 T HA -0.238 4.112 4.350 -0.000 0.000 0.268 756 T C 1.662 176.135 174.700 -0.377 0.000 1.037 756 T CA 1.589 63.556 62.100 -0.222 0.000 1.144 756 T CB -0.265 68.476 68.868 -0.211 0.000 0.864 756 T HN 0.307 nan 8.240 nan 0.000 0.444 757 Q N 1.173 120.830 119.800 -0.238 0.000 2.050 757 Q HA 0.047 4.387 4.340 -0.000 0.000 0.202 757 Q C 2.381 178.283 176.000 -0.163 0.000 0.980 757 Q CA 1.851 57.542 55.803 -0.186 0.000 0.840 757 Q CB -0.799 27.872 28.738 -0.112 0.000 0.898 757 Q HN 0.497 nan 8.270 nan 0.000 0.424 758 A N 0.465 123.160 122.820 -0.209 0.000 1.883 758 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 758 A C 1.865 179.383 177.584 -0.109 0.000 1.186 758 A CA 2.040 53.911 52.037 -0.276 0.000 0.624 758 A CB -1.068 17.546 19.000 -0.642 0.000 0.822 758 A HN 0.493 nan 8.150 nan 0.000 0.444 759 D N -1.212 119.141 120.400 -0.078 0.000 2.190 759 D HA -0.145 4.495 4.640 -0.000 0.000 0.200 759 D C 1.659 178.034 176.300 0.124 0.000 0.992 759 D CA 1.526 55.541 54.000 0.024 0.000 0.854 759 D CB -0.402 40.381 40.800 -0.028 0.000 0.936 759 D HN 0.788 nan 8.370 nan 0.000 0.462 760 H N -1.036 118.048 119.070 0.023 0.000 2.333 760 H HA 0.013 4.569 4.556 -0.000 0.000 0.302 760 H C 2.167 177.502 175.328 0.012 0.000 1.075 760 H CA 0.514 56.571 56.048 0.014 0.000 1.348 760 H CB 0.275 30.023 29.762 -0.024 0.000 1.393 760 H HN -0.051 nan 8.280 nan 0.000 0.509 761 V N 0.697 120.670 119.914 0.098 0.000 2.295 761 V HA -0.315 3.805 4.120 -0.000 0.000 0.246 761 V C 2.090 178.177 176.094 -0.012 0.000 1.049 761 V CA 1.978 64.274 62.300 -0.008 0.000 1.024 761 V CB -0.635 31.119 31.823 -0.115 0.000 0.648 761 V HN 0.457 nan 8.190 nan 0.000 0.447 762 Y N 1.768 122.019 120.300 -0.081 0.000 2.207 762 Y HA -0.291 4.259 4.550 -0.000 0.000 0.287 762 Y C 2.427 178.340 175.900 0.022 0.000 1.156 762 Y CA 2.176 60.257 58.100 -0.031 0.000 1.182 762 Y CB -0.402 38.072 38.460 0.023 0.000 0.979 762 Y HN 0.426 nan 8.280 nan 0.000 0.521 763 N N -0.777 117.955 118.700 0.054 0.000 2.106 763 N HA -0.260 4.480 4.740 -0.000 0.000 0.188 763 N C 1.884 177.360 175.510 -0.056 0.000 1.029 763 N CA 1.815 54.859 53.050 -0.009 0.000 0.848 763 N CB -0.858 37.697 38.487 0.114 0.000 1.007 763 N HN 0.521 nan 8.380 nan 0.000 0.423 764 Y N 0.737 120.963 120.300 -0.123 0.000 2.070 764 Y HA -0.176 4.374 4.550 -0.000 0.000 0.279 764 Y C 2.211 177.996 175.900 -0.191 0.000 1.134 764 Y CA 1.986 60.006 58.100 -0.132 0.000 1.113 764 Y CB -0.471 37.909 38.460 -0.134 0.000 0.981 764 Y HN 0.012 nan 8.280 nan 0.000 0.487 765 M N 0.059 119.470 119.600 -0.315 0.000 2.103 765 M HA -0.304 4.176 4.480 -0.000 0.000 0.255 765 M C 2.138 178.227 176.300 -0.351 0.000 1.074 765 M CA 2.391 57.367 55.300 -0.540 0.000 1.090 765 M CB -1.801 30.231 32.600 -0.947 0.000 1.325 765 M HN 0.362 nan 8.290 nan 0.000 0.403 766 T N 0.539 114.890 114.554 -0.339 0.000 2.720 766 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 766 T C 1.787 176.336 174.700 -0.251 0.000 1.037 766 T CA 1.169 63.083 62.100 -0.310 0.000 1.144 766 T CB -0.103 68.482 68.868 -0.472 0.000 0.864 766 T HN 0.355 nan 8.240 nan 0.000 0.444 767 Q N 0.498 120.164 119.800 -0.225 0.000 2.364 767 Q HA 0.116 4.456 4.340 -0.000 0.000 0.209 767 Q C 2.019 177.934 176.000 -0.143 0.000 0.977 767 Q CA 0.647 56.388 55.803 -0.104 0.000 0.885 767 Q CB -0.422 28.269 28.738 -0.078 0.000 0.941 767 Q HN 0.501 nan 8.270 nan 0.000 0.464 768 L N 0.230 121.279 121.223 -0.291 0.000 2.599 768 L HA -0.025 4.315 4.340 -0.000 0.000 0.230 768 L C 1.752 178.491 176.870 -0.217 0.000 1.141 768 L CA 0.295 54.986 54.840 -0.249 0.000 0.877 768 L CB -0.143 41.757 42.059 -0.264 0.000 1.009 768 L HN 0.115 nan 8.230 nan 0.000 0.447 769 T N -1.710 112.663 114.554 -0.302 0.000 2.821 769 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 769 T C 1.472 175.943 174.700 -0.381 0.000 1.046 769 T CA 0.944 62.827 62.100 -0.361 0.000 1.139 769 T CB -0.208 68.370 68.868 -0.483 0.000 0.871 769 T HN 0.402 nan 8.240 nan 0.000 0.454 770 H N 0.302 119.315 119.070 -0.094 0.000 2.562 770 H HA 0.149 4.705 4.556 -0.000 0.000 0.274 770 H C 1.265 176.507 175.328 -0.143 0.000 1.038 770 H CA 0.273 56.279 56.048 -0.070 0.000 1.161 770 H CB 0.117 29.860 29.762 -0.032 0.000 1.318 770 H HN 0.329 nan 8.280 nan 0.000 0.617 771 I N 0.854 121.294 120.570 -0.217 0.000 3.136 771 I HA -0.021 4.149 4.170 -0.000 0.000 0.262 771 I C 1.181 177.057 176.117 -0.401 0.000 1.132 771 I CA -0.113 60.864 61.300 -0.540 0.000 1.450 771 I CB -0.535 37.077 38.000 -0.645 0.000 1.315 771 I HN 0.026 nan 8.210 nan 0.000 0.460 772 I N 2.087 122.498 120.570 -0.266 0.000 3.058 772 I HA 0.010 4.180 4.170 -0.000 0.000 0.299 772 I C -1.928 174.065 176.117 -0.206 0.000 1.238 772 I CA -1.049 60.126 61.300 -0.208 0.000 1.423 772 I CB -1.140 36.769 38.000 -0.152 0.000 1.330 772 I HN 0.078 nan 8.210 nan 0.000 0.589 773 P HA 0.306 nan 4.420 nan 0.000 0.237 773 P C -0.631 176.257 177.300 -0.688 0.000 1.788 773 P CA 0.461 63.069 63.100 -0.820 0.000 1.061 773 P CB -0.247 30.729 31.700 -1.207 0.000 1.967 774 I N 0.815 121.265 120.570 -0.201 0.000 2.500 774 I HA 0.216 4.386 4.170 -0.000 0.000 0.286 774 I C 0.097 176.296 176.117 0.137 0.000 1.063 774 I CA -0.398 60.880 61.300 -0.037 0.000 1.062 774 I CB 2.662 40.624 38.000 -0.062 0.000 1.223 774 I HN 0.021 nan 8.210 nan 0.000 0.435 775 T N 2.281 116.970 114.554 0.225 0.000 2.945 775 T HA 0.212 4.562 4.350 -0.000 0.000 0.286 775 T C 0.504 175.287 174.700 0.139 0.000 1.025 775 T CA -0.542 61.680 62.100 0.204 0.000 1.039 775 T CB 1.125 70.132 68.868 0.232 0.000 1.068 775 T HN 0.698 nan 8.240 nan 0.000 0.497 776 D N 0.766 121.228 120.400 0.103 0.000 2.324 776 D HA 0.152 4.792 4.640 -0.000 0.000 0.235 776 D C 0.605 176.933 176.300 0.047 0.000 1.095 776 D CA -0.273 53.771 54.000 0.075 0.000 0.871 776 D CB -1.009 39.825 40.800 0.057 0.000 0.906 776 D HN 0.621 nan 8.370 nan 0.000 0.522 777 C N -1.351 117.979 119.300 0.049 0.000 3.249 777 C HA 0.748 5.208 4.460 -0.000 0.000 0.358 777 C C -1.323 173.646 174.990 -0.035 0.000 1.187 777 C CA -1.723 57.254 59.018 -0.069 0.000 1.170 777 C CB -0.022 27.577 27.740 -0.235 0.000 1.478 777 C HN 0.251 nan 8.230 nan 0.000 0.508 778 F N -0.142 119.675 119.950 -0.222 0.000 2.620 778 F HA 0.934 5.461 4.527 -0.000 0.000 0.320 778 F C -1.338 174.285 175.800 -0.296 0.000 1.069 778 F CA -1.253 56.646 58.000 -0.168 0.000 0.953 778 F CB 0.859 39.794 39.000 -0.109 0.000 1.322 778 F HN 0.695 nan 8.300 nan 0.000 0.479 779 Y N 1.278 121.629 120.300 0.085 0.000 2.528 779 Y HA 0.718 5.268 4.550 -0.000 0.000 0.335 779 Y C -0.305 175.661 175.900 0.110 0.000 1.093 779 Y CA -1.286 56.812 58.100 -0.003 0.000 1.134 779 Y CB 1.917 40.385 38.460 0.013 0.000 1.253 779 Y HN 0.479 nan 8.280 nan 0.000 0.478 780 I N 3.538 124.256 120.570 0.247 0.000 2.410 780 I HA 0.505 4.675 4.170 -0.000 0.000 0.286 780 I C -0.967 175.297 176.117 0.245 0.000 1.009 780 I CA -0.948 60.514 61.300 0.269 0.000 1.111 780 I CB 1.251 39.429 38.000 0.297 0.000 1.262 780 I HN 0.375 nan 8.210 nan 0.000 0.443 781 V N 2.542 122.593 119.914 0.229 0.000 3.001 781 V HA 0.549 4.669 4.120 -0.000 0.000 0.314 781 V C 0.567 176.747 176.094 0.144 0.000 1.099 781 V CA -0.806 61.578 62.300 0.140 0.000 0.989 781 V CB 2.187 34.073 31.823 0.106 0.000 1.040 781 V HN 0.601 nan 8.190 nan 0.000 0.434 782 K N 1.276 121.665 120.400 -0.018 0.000 2.097 782 K HA 0.122 4.442 4.320 -0.000 0.000 0.205 782 K C 0.577 177.224 176.600 0.079 0.000 1.050 782 K CA 1.836 58.083 56.287 -0.067 0.000 0.938 782 K CB -0.192 32.202 32.500 -0.177 0.000 0.718 782 K HN 0.959 nan 8.250 nan 0.000 0.442 783 N N -1.321 117.424 118.700 0.075 0.000 2.815 783 N HA 0.236 4.976 4.740 -0.000 0.000 0.253 783 N C -2.101 173.354 175.510 -0.092 0.000 1.202 783 N CA -0.069 52.992 53.050 0.017 0.000 0.925 783 N CB 1.322 39.844 38.487 0.060 0.000 1.622 783 N HN 0.023 nan 8.380 nan 0.000 0.497 784 S N 0.523 115.997 115.700 -0.378 0.000 2.611 784 S HA 0.971 5.441 4.470 -0.000 0.000 0.268 784 S C -0.424 173.728 174.600 -0.747 0.000 1.156 784 S CA -0.184 57.644 58.200 -0.620 0.000 0.817 784 S CB 1.310 64.414 63.200 -0.159 0.000 1.122 784 S HN 1.243 nan 8.310 nan 0.000 0.466 785 G N -0.318 108.145 108.800 -0.561 0.000 2.320 785 G HA2 0.485 4.445 3.960 -0.000 0.000 0.297 785 G HA3 0.485 4.445 3.960 -0.000 0.000 0.297 785 G C -2.324 172.664 174.900 0.145 0.000 1.344 785 G CA -0.461 44.524 45.100 -0.191 0.000 0.851 785 G HN 1.606 nan 8.290 nan 0.000 0.567 786 F N 0.581 120.517 119.950 -0.024 0.000 2.689 786 F HA 0.633 5.160 4.527 -0.000 0.000 0.332 786 F C -1.152 174.592 175.800 -0.094 0.000 1.209 786 F CA -0.694 57.279 58.000 -0.046 0.000 1.028 786 F CB 1.878 40.818 39.000 -0.099 0.000 1.291 786 F HN 0.464 nan 8.300 nan 0.000 0.500 787 V N 4.793 124.282 119.914 -0.709 0.000 2.540 787 V HA 0.410 4.530 4.120 -0.000 0.000 0.302 787 V C -1.069 174.421 176.094 -1.006 0.000 1.035 787 V CA -0.563 61.275 62.300 -0.769 0.000 0.873 787 V CB 1.837 33.398 31.823 -0.438 0.000 0.992 787 V HN 0.641 nan 8.190 nan 0.000 0.428 788 D N 3.116 122.964 120.400 -0.919 0.000 2.749 788 D HA 0.178 4.818 4.640 -0.000 0.000 0.338 788 D C 0.370 176.397 176.300 -0.455 0.000 1.236 788 D CA -0.486 53.141 54.000 -0.621 0.000 0.845 788 D CB 0.372 40.916 40.800 -0.427 0.000 1.080 788 D HN 0.506 nan 8.370 nan 0.000 0.497 789 R N 0.089 120.278 120.500 -0.519 0.000 2.585 789 R HA 0.292 4.632 4.340 -0.000 0.000 0.275 789 R C 1.056 177.235 176.300 -0.202 0.000 1.018 789 R CA 1.387 57.230 56.100 -0.427 0.000 1.072 789 R CB 0.160 30.239 30.300 -0.369 0.000 0.953 789 R HN 0.356 nan 8.270 nan 0.000 0.419 790 G N 2.437 111.170 108.800 -0.112 0.000 2.160 790 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.251 790 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.251 790 G C -0.067 174.806 174.900 -0.044 0.000 1.008 790 G CA 0.512 45.585 45.100 -0.046 0.000 0.724 790 G HN 0.697 nan 8.290 nan 0.000 0.514 791 S N -0.905 114.761 115.700 -0.057 0.000 2.616 791 S HA 0.626 5.096 4.470 -0.000 0.000 0.277 791 S C 1.782 176.376 174.600 -0.010 0.000 1.234 791 S CA 0.731 58.912 58.200 -0.033 0.000 1.028 791 S CB 0.983 64.163 63.200 -0.032 0.000 0.988 791 S HN 0.896 nan 8.310 nan 0.000 0.522 792 T N 1.509 116.062 114.554 -0.002 0.000 3.081 792 T HA 0.256 4.606 4.350 -0.000 0.000 0.255 792 T C 1.114 175.817 174.700 0.005 0.000 1.113 792 T CA 0.151 62.253 62.100 0.003 0.000 1.082 792 T CB -0.504 68.366 68.868 0.005 0.000 0.939 792 T HN 0.667 nan 8.240 nan 0.000 0.506 793 G N 2.778 111.584 108.800 0.009 0.000 2.732 793 G HA2 0.342 4.302 3.960 -0.000 0.000 0.244 793 G HA3 0.342 4.302 3.960 -0.000 0.000 0.244 793 G C -0.982 173.928 174.900 0.015 0.000 1.226 793 G CA -0.887 44.222 45.100 0.015 0.000 0.860 793 G HN 0.155 nan 8.290 nan 0.000 0.583 794 P HA -0.001 nan 4.420 nan 0.000 0.224 794 P C 0.329 177.645 177.300 0.027 0.000 1.157 794 P CA 0.471 63.569 63.100 -0.004 0.000 0.799 794 P CB 0.237 31.918 31.700 -0.032 0.000 0.809 795 V N 2.061 122.018 119.914 0.071 0.000 2.364 795 V HA 0.223 4.343 4.120 -0.000 0.000 0.272 795 V C 1.645 177.827 176.094 0.146 0.000 1.036 795 V CA -0.188 62.189 62.300 0.129 0.000 0.880 795 V CB 1.530 33.459 31.823 0.177 0.000 0.991 795 V HN -0.044 nan 8.190 nan 0.000 0.460 796 I N 2.707 123.334 120.570 0.094 0.000 3.939 796 I HA 0.594 4.764 4.170 -0.000 0.000 0.313 796 I C 0.769 176.787 176.117 -0.164 0.000 1.274 796 I CA 0.550 61.837 61.300 -0.021 0.000 1.301 796 I CB 0.682 38.680 38.000 -0.003 0.000 1.105 796 I HN 0.746 nan 8.210 nan 0.000 0.427 797 A N -0.471 122.309 122.820 -0.066 0.000 2.597 797 A HA 0.672 4.992 4.320 -0.000 0.000 0.292 797 A C -1.080 176.540 177.584 0.061 0.000 1.057 797 A CA -0.304 51.590 52.037 -0.238 0.000 0.674 797 A CB 1.494 19.933 19.000 -0.935 0.000 1.278 797 A HN 0.009 nan 8.150 nan 0.000 0.416 798 S N -0.728 115.105 115.700 0.222 0.000 2.537 798 S HA 0.541 5.011 4.470 -0.000 0.000 0.270 798 S C 0.876 175.650 174.600 0.289 0.000 1.142 798 S CA 0.408 58.788 58.200 0.301 0.000 0.870 798 S CB 1.530 64.783 63.200 0.088 0.000 1.112 798 S HN 2.075 nan 8.310 nan 0.000 0.466 799 S N 1.920 117.747 115.700 0.211 0.000 2.515 799 S HA 0.139 4.609 4.470 -0.000 0.000 0.231 799 S C 0.884 175.485 174.600 0.002 0.000 0.987 799 S CA 0.890 59.143 58.200 0.088 0.000 0.936 799 S CB -0.169 63.037 63.200 0.010 0.000 0.766 799 S HN 0.655 nan 8.310 nan 0.000 0.528 800 S N -0.291 115.391 115.700 -0.030 0.000 2.823 800 S HA 0.806 5.276 4.470 -0.000 0.000 0.316 800 S C -0.415 174.094 174.600 -0.152 0.000 1.116 800 S CA -0.154 57.985 58.200 -0.101 0.000 0.911 800 S CB 1.304 64.416 63.200 -0.146 0.000 1.276 800 S HN 0.809 nan 8.310 nan 0.000 0.565 801 V N -0.757 119.027 119.914 -0.217 0.000 3.164 801 V HA 0.685 4.805 4.120 -0.000 0.000 0.313 801 V C -1.645 174.202 176.094 -0.412 0.000 1.188 801 V CA -1.042 61.092 62.300 -0.278 0.000 1.058 801 V CB 0.729 32.494 31.823 -0.097 0.000 1.110 801 V HN 0.869 nan 8.190 nan 0.000 0.453 802 Y N 0.171 120.306 120.300 -0.276 0.000 2.313 802 Y HA 0.348 4.898 4.550 -0.000 0.000 0.332 802 Y C 1.691 177.472 175.900 -0.198 0.000 1.071 802 Y CA 0.540 58.490 58.100 -0.250 0.000 1.169 802 Y CB 1.394 39.691 38.460 -0.271 0.000 1.192 802 Y HN 0.929 nan 8.280 nan 0.000 0.487 803 E N 2.442 122.625 120.200 -0.028 0.000 2.164 803 E HA -0.370 3.980 4.350 -0.000 0.000 0.206 803 E C 1.517 178.068 176.600 -0.081 0.000 1.032 803 E CA 1.963 58.301 56.400 -0.102 0.000 0.832 803 E CB -0.004 29.672 29.700 -0.040 0.000 0.742 803 E HN 0.849 nan 8.360 nan 0.000 0.460 804 N N 0.177 118.862 118.700 -0.025 0.000 2.520 804 N HA -0.119 4.621 4.740 -0.000 0.000 0.185 804 N C 1.647 177.146 175.510 -0.019 0.000 1.068 804 N CA 0.728 53.762 53.050 -0.026 0.000 0.911 804 N CB 0.148 38.616 38.487 -0.032 0.000 0.961 804 N HN 0.122 nan 8.380 nan 0.000 0.446 805 V N 0.294 120.198 119.914 -0.016 0.000 3.608 805 V HA 0.154 4.274 4.120 -0.000 0.000 0.269 805 V C 0.351 176.441 176.094 -0.006 0.000 1.245 805 V CA 0.062 62.368 62.300 0.011 0.000 1.138 805 V CB -0.269 31.568 31.823 0.023 0.000 0.841 805 V HN 0.044 nan 8.190 nan 0.000 0.451 806 L N 1.258 122.435 121.223 -0.076 0.000 2.350 806 L HA 0.395 4.735 4.340 -0.000 0.000 0.275 806 L C 0.149 176.986 176.870 -0.055 0.000 1.099 806 L CA 0.441 55.215 54.840 -0.111 0.000 0.808 806 L CB 1.116 42.983 42.059 -0.321 0.000 1.149 806 L HN 0.057 nan 8.230 nan 0.000 0.442 807 K N 2.784 123.171 120.400 -0.022 0.000 2.449 807 K HA 0.466 4.786 4.320 -0.000 0.000 0.257 807 K C -1.353 175.253 176.600 0.009 0.000 0.989 807 K CA -0.605 55.679 56.287 -0.005 0.000 0.916 807 K CB 1.067 33.565 32.500 -0.005 0.000 1.136 807 K HN 0.367 nan 8.250 nan 0.000 0.439 808 V N 4.976 124.908 119.914 0.031 0.000 2.521 808 V HA 0.017 4.137 4.120 -0.000 0.000 0.286 808 V C 1.018 177.105 176.094 -0.012 0.000 1.034 808 V CA -0.197 62.138 62.300 0.057 0.000 1.045 808 V CB 1.130 33.010 31.823 0.094 0.000 0.974 808 V HN 0.672 nan 8.190 nan 0.000 0.480 809 V N 3.537 123.420 119.914 -0.051 0.000 3.048 809 V HA 0.203 4.323 4.120 -0.000 0.000 0.241 809 V C 0.474 176.337 176.094 -0.385 0.000 1.129 809 V CA 0.745 62.912 62.300 -0.222 0.000 1.128 809 V CB -0.111 31.552 31.823 -0.267 0.000 0.849 809 V HN 0.877 nan 8.190 nan 0.000 0.475 810 H N -0.276 118.814 119.070 0.034 0.000 2.895 810 H HA 0.580 5.136 4.556 -0.000 0.000 0.373 810 H C -1.036 174.304 175.328 0.021 0.000 1.174 810 H CA -0.258 55.807 56.048 0.030 0.000 1.144 810 H CB 2.251 32.036 29.762 0.038 0.000 1.793 810 H HN 0.088 nan 8.280 nan 0.000 0.551 811 T N 3.111 117.754 114.554 0.148 0.000 2.864 811 T HA 0.389 4.739 4.350 -0.000 0.000 0.299 811 T C 0.659 175.383 174.700 0.041 0.000 1.011 811 T CA -0.586 61.548 62.100 0.056 0.000 0.975 811 T CB 0.565 69.451 68.868 0.029 0.000 0.962 811 T HN 0.309 nan 8.240 nan 0.000 0.448 812 I N 3.124 123.699 120.570 0.009 0.000 2.322 812 I HA 0.255 4.425 4.170 -0.000 0.000 0.292 812 I C 1.701 177.816 176.117 -0.004 0.000 1.060 812 I CA -0.607 60.703 61.300 0.015 0.000 1.309 812 I CB 1.077 39.100 38.000 0.038 0.000 1.415 812 I HN 0.797 nan 8.210 nan 0.000 0.492 813 A N 5.743 128.571 122.820 0.013 0.000 1.884 813 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 813 A C 0.645 178.250 177.584 0.035 0.000 1.197 813 A CA 2.103 54.151 52.037 0.018 0.000 0.637 813 A CB -0.316 18.698 19.000 0.024 0.000 0.827 813 A HN 0.873 nan 8.150 nan 0.000 0.450 814 D N -5.868 114.568 120.400 0.061 0.000 2.671 814 D HA 0.173 4.813 4.640 -0.000 0.000 0.273 814 D C 0.311 176.712 176.300 0.168 0.000 1.264 814 D CA -0.319 53.753 54.000 0.119 0.000 0.788 814 D CB -0.293 40.577 40.800 0.117 0.000 1.324 814 D HN 0.050 nan 8.370 nan 0.000 0.424 815 F N 1.411 121.422 119.950 0.102 0.000 2.048 815 F HA -0.299 4.228 4.527 -0.000 0.000 0.296 815 F C 1.664 177.508 175.800 0.073 0.000 1.109 815 F CA 2.568 60.640 58.000 0.120 0.000 1.214 815 F CB -0.381 38.679 39.000 0.100 0.000 0.963 815 F HN 0.346 nan 8.300 nan 0.000 0.491 816 D N 0.376 120.746 120.400 -0.050 0.000 2.170 816 D HA -0.281 4.359 4.640 -0.000 0.000 0.193 816 D C 2.312 178.473 176.300 -0.232 0.000 1.004 816 D CA 1.811 55.690 54.000 -0.201 0.000 0.860 816 D CB -0.599 40.202 40.800 0.002 0.000 0.931 816 D HN 0.478 nan 8.370 nan 0.000 0.448 817 A N 1.264 124.016 122.820 -0.113 0.000 1.855 817 A HA -0.023 4.297 4.320 -0.000 0.000 0.215 817 A C 2.403 179.927 177.584 -0.099 0.000 1.191 817 A CA 2.259 54.251 52.037 -0.076 0.000 0.613 817 A CB -0.774 18.216 19.000 -0.016 0.000 0.829 817 A HN 0.249 nan 8.150 nan 0.000 0.442 818 A N 0.125 122.896 122.820 -0.082 0.000 1.978 818 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 818 A C 1.957 179.434 177.584 -0.177 0.000 1.170 818 A CA 2.227 54.248 52.037 -0.027 0.000 0.636 818 A CB -0.736 18.360 19.000 0.159 0.000 0.810 818 A HN 0.609 nan 8.150 nan 0.000 0.448 819 N N 0.127 118.583 118.700 -0.407 0.000 2.216 819 N HA -0.010 4.730 4.740 -0.000 0.000 0.183 819 N C 1.686 177.044 175.510 -0.253 0.000 1.017 819 N CA 1.683 54.462 53.050 -0.451 0.000 0.861 819 N CB -0.367 37.647 38.487 -0.787 0.000 0.986 819 N HN 0.335 nan 8.380 nan 0.000 0.428 820 A N 0.680 123.379 122.820 -0.201 0.000 1.873 820 A HA 0.015 4.335 4.320 -0.000 0.000 0.215 820 A C 2.286 179.822 177.584 -0.081 0.000 1.186 820 A CA 0.884 52.849 52.037 -0.119 0.000 0.616 820 A CB -0.809 18.137 19.000 -0.091 0.000 0.823 820 A HN 0.340 nan 8.150 nan 0.000 0.442 821 L N -0.838 120.347 121.223 -0.064 0.000 2.187 821 L HA -0.174 4.166 4.340 -0.000 0.000 0.213 821 L C 2.659 179.517 176.870 -0.020 0.000 1.100 821 L CA 1.585 56.410 54.840 -0.024 0.000 0.765 821 L CB -0.426 41.636 42.059 0.005 0.000 0.904 821 L HN 0.388 nan 8.230 nan 0.000 0.437 822 R N 0.703 121.167 120.500 -0.059 0.000 2.189 822 R HA -0.051 4.289 4.340 -0.000 0.000 0.218 822 R C 1.847 178.111 176.300 -0.061 0.000 1.074 822 R CA 1.262 57.321 56.100 -0.069 0.000 0.991 822 R CB -0.299 29.913 30.300 -0.147 0.000 0.883 822 R HN 0.324 nan 8.270 nan 0.000 0.457 823 L N -0.218 120.964 121.223 -0.068 0.000 2.298 823 L HA 0.146 4.486 4.340 -0.000 0.000 0.209 823 L C 0.651 177.496 176.870 -0.041 0.000 1.084 823 L CA 0.223 55.026 54.840 -0.062 0.000 0.816 823 L CB -0.191 41.824 42.059 -0.074 0.000 0.967 823 L HN 0.146 nan 8.230 nan 0.000 0.460 824 Q N 2.248 122.032 119.800 -0.027 0.000 2.371 824 Q HA 0.042 4.382 4.340 -0.000 0.000 0.254 824 Q C -0.261 175.743 176.000 0.007 0.000 1.264 824 Q CA 0.301 56.096 55.803 -0.013 0.000 0.904 824 Q CB 0.118 28.853 28.738 -0.006 0.000 1.507 824 Q HN 0.295 nan 8.270 nan 0.000 0.495 825 R N 2.289 122.785 120.500 -0.006 0.000 2.560 825 R HA 0.450 4.790 4.340 -0.000 0.000 0.270 825 R C 0.095 176.412 176.300 0.028 0.000 1.074 825 R CA -0.171 55.939 56.100 0.017 0.000 1.140 825 R CB 0.839 31.100 30.300 -0.065 0.000 1.073 825 R HN 0.581 nan 8.270 nan 0.000 0.527 826 R N 0.551 121.095 120.500 0.073 0.000 2.594 826 R HA 0.323 4.663 4.340 -0.000 0.000 0.265 826 R C -1.175 175.184 176.300 0.099 0.000 1.070 826 R CA -1.024 55.114 56.100 0.063 0.000 0.909 826 R CB 1.318 31.649 30.300 0.051 0.000 1.243 826 R HN 0.493 nan 8.270 nan 0.000 0.455 827 R N 1.562 122.108 120.500 0.076 0.000 2.590 827 R HA 0.153 4.493 4.340 -0.000 0.000 0.274 827 R C 0.406 176.750 176.300 0.073 0.000 1.061 827 R CA -0.348 55.805 56.100 0.088 0.000 1.081 827 R CB 0.956 31.291 30.300 0.058 0.000 0.984 827 R HN 0.484 nan 8.270 nan 0.000 0.448 828 V N 1.004 120.962 119.914 0.073 0.000 2.627 828 V HA -0.059 4.061 4.120 -0.000 0.000 0.239 828 V C 0.486 176.602 176.094 0.037 0.000 1.077 828 V CA 1.523 63.852 62.300 0.049 0.000 1.103 828 V CB -0.298 31.548 31.823 0.038 0.000 0.802 828 V HN 0.918 nan 8.190 nan 0.000 0.482 829 D N -2.266 118.156 120.400 0.037 0.000 3.603 829 D HA 0.168 4.808 4.640 -0.000 0.000 0.280 829 D C 0.726 177.046 176.300 0.034 0.000 1.435 829 D CA -0.388 53.629 54.000 0.029 0.000 1.005 829 D CB -0.376 40.436 40.800 0.020 0.000 1.321 829 D HN -0.160 nan 8.370 nan 0.000 0.639 830 N N -1.045 117.672 118.700 0.028 0.000 2.207 830 N HA 0.004 4.744 4.740 -0.000 0.000 0.182 830 N C 1.062 176.595 175.510 0.038 0.000 1.020 830 N CA 2.096 55.164 53.050 0.029 0.000 0.858 830 N CB -0.335 38.165 38.487 0.022 0.000 0.991 830 N HN 0.667 nan 8.380 nan 0.000 0.427 831 T N -2.215 112.360 114.554 0.034 0.000 3.129 831 T HA 0.269 4.619 4.350 -0.000 0.000 0.267 831 T C 0.458 175.185 174.700 0.046 0.000 1.018 831 T CA -0.558 61.567 62.100 0.042 0.000 0.903 831 T CB -0.017 68.866 68.868 0.026 0.000 1.067 831 T HN 0.129 nan 8.240 nan 0.000 0.549 832 S N 1.013 116.738 115.700 0.042 0.000 2.599 832 S HA 0.819 5.289 4.470 -0.000 0.000 0.287 832 S C -1.096 173.548 174.600 0.074 0.000 1.105 832 S CA -1.063 57.131 58.200 -0.009 0.000 0.899 832 S CB 1.828 64.985 63.200 -0.071 0.000 1.100 832 S HN 0.487 nan 8.310 nan 0.000 0.482 833 Y N -1.458 118.853 120.300 0.019 0.000 2.665 833 Y HA 0.930 5.480 4.550 -0.000 0.000 0.336 833 Y C -0.054 175.863 175.900 0.027 0.000 1.085 833 Y CA -0.840 57.271 58.100 0.018 0.000 1.096 833 Y CB 1.232 39.699 38.460 0.010 0.000 1.301 833 Y HN 0.899 nan 8.280 nan 0.000 0.493 834 T N -0.166 114.548 114.554 0.267 0.000 2.637 834 T HA 0.523 4.873 4.350 -0.000 0.000 0.303 834 T C -2.424 172.398 174.700 0.204 0.000 1.288 834 T CA -0.357 61.846 62.100 0.171 0.000 1.040 834 T CB 1.351 70.275 68.868 0.093 0.000 1.644 834 T HN 1.025 nan 8.240 nan 0.000 0.480 835 D N -0.443 120.045 120.400 0.146 0.000 2.970 835 D HA 0.484 5.124 4.640 -0.000 0.000 0.230 835 D C 0.704 177.060 176.300 0.094 0.000 1.276 835 D CA -0.587 53.478 54.000 0.107 0.000 0.910 835 D CB 1.223 42.079 40.800 0.093 0.000 1.590 835 D HN 0.251 nan 8.370 nan 0.000 0.551 836 S N 0.823 116.560 115.700 0.062 0.000 2.455 836 S HA -0.283 4.187 4.470 -0.000 0.000 0.252 836 S C 1.371 176.009 174.600 0.064 0.000 1.075 836 S CA 1.495 59.722 58.200 0.045 0.000 1.038 836 S CB -0.260 62.950 63.200 0.017 0.000 0.835 836 S HN 0.630 nan 8.310 nan 0.000 0.482 837 L N 1.120 122.407 121.223 0.106 0.000 2.049 837 L HA 0.068 4.408 4.340 -0.000 0.000 0.203 837 L C 2.255 179.305 176.870 0.299 0.000 1.074 837 L CA 1.854 56.807 54.840 0.188 0.000 0.749 837 L CB -1.055 41.125 42.059 0.201 0.000 0.907 837 L HN 0.134 nan 8.230 nan 0.000 0.439 838 S N -0.375 115.519 115.700 0.323 0.000 2.370 838 S HA -0.228 4.242 4.470 -0.000 0.000 0.226 838 S C 1.658 176.418 174.600 0.266 0.000 1.033 838 S CA 1.460 59.895 58.200 0.391 0.000 1.011 838 S CB -0.559 62.830 63.200 0.315 0.000 0.852 838 S HN 0.586 nan 8.310 nan 0.000 0.457 839 D N 0.822 121.323 120.400 0.170 0.000 2.221 839 D HA -0.100 4.540 4.640 -0.000 0.000 0.204 839 D C 1.781 178.128 176.300 0.078 0.000 0.982 839 D CA 0.884 54.947 54.000 0.107 0.000 0.857 839 D CB -0.122 40.722 40.800 0.073 0.000 0.934 839 D HN 0.386 nan 8.370 nan 0.000 0.475 840 M N -1.386 118.259 119.600 0.075 0.000 2.287 840 M HA 0.011 4.491 4.480 -0.000 0.000 0.266 840 M C 1.679 178.030 176.300 0.084 0.000 1.079 840 M CA 0.694 55.990 55.300 -0.006 0.000 1.146 840 M CB -0.090 32.443 32.600 -0.112 0.000 1.374 840 M HN 0.041 nan 8.290 nan 0.000 0.435 841 F N 1.211 121.124 119.950 -0.062 0.000 2.171 841 F HA -0.165 4.362 4.527 -0.000 0.000 0.300 841 F C 1.645 177.366 175.800 -0.132 0.000 1.090 841 F CA 1.952 59.827 58.000 -0.209 0.000 1.293 841 F CB -0.567 38.052 39.000 -0.636 0.000 1.013 841 F HN 0.238 nan 8.300 nan 0.000 0.486 842 N N 0.312 118.980 118.700 -0.052 0.000 2.104 842 N HA -0.112 4.628 4.740 -0.000 0.000 0.190 842 N C 2.000 177.431 175.510 -0.131 0.000 1.024 842 N CA 1.519 54.502 53.050 -0.113 0.000 0.853 842 N CB -0.887 37.621 38.487 0.034 0.000 1.008 842 N HN 0.396 nan 8.380 nan 0.000 0.424 843 G N -0.216 108.557 108.800 -0.045 0.000 2.586 843 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.215 843 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.215 843 G C 0.208 175.078 174.900 -0.050 0.000 1.128 843 G CA 0.095 45.191 45.100 -0.007 0.000 0.774 843 G HN 0.187 nan 8.290 nan 0.000 0.543 844 L N 0.588 121.725 121.223 -0.143 0.000 2.331 844 L HA 0.280 4.620 4.340 -0.000 0.000 0.278 844 L C 0.989 177.762 176.870 -0.162 0.000 1.106 844 L CA -0.748 53.995 54.840 -0.163 0.000 0.824 844 L CB 1.025 42.923 42.059 -0.270 0.000 1.142 844 L HN 0.071 nan 8.230 nan 0.000 0.443 845 R N 2.135 122.579 120.500 -0.093 0.000 2.442 845 R HA 0.130 4.470 4.340 -0.000 0.000 0.291 845 R C -0.181 176.086 176.300 -0.055 0.000 1.069 845 R CA -0.068 55.992 56.100 -0.067 0.000 1.022 845 R CB 0.954 31.229 30.300 -0.041 0.000 0.976 845 R HN 0.603 nan 8.270 nan 0.000 0.443 846 S N 4.485 120.158 115.700 -0.044 0.000 2.508 846 S HA 0.418 4.888 4.470 -0.000 0.000 0.284 846 S C -0.120 174.512 174.600 0.053 0.000 1.192 846 S CA -0.711 57.487 58.200 -0.002 0.000 1.070 846 S CB 0.555 63.746 63.200 -0.016 0.000 1.004 846 S HN 0.508 nan 8.310 nan 0.000 0.493 847 I N 3.282 123.937 120.570 0.142 0.000 2.404 847 I HA 0.261 4.431 4.170 -0.000 0.000 0.293 847 I C 0.522 176.791 176.117 0.253 0.000 0.992 847 I CA -0.626 60.781 61.300 0.177 0.000 1.149 847 I CB 1.907 40.047 38.000 0.233 0.000 1.315 847 I HN 0.542 nan 8.210 nan 0.000 0.446 848 S N 3.397 119.190 115.700 0.155 0.000 2.546 848 S HA 0.002 4.471 4.470 -0.000 0.000 0.290 848 S C 1.368 176.150 174.600 0.303 0.000 1.290 848 S CA -0.155 58.146 58.200 0.168 0.000 1.069 848 S CB 0.680 63.934 63.200 0.090 0.000 0.846 848 S HN 0.694 nan 8.310 nan 0.000 0.495 849 S N 3.935 119.792 115.700 0.262 0.000 2.374 849 S HA -0.162 4.308 4.470 -0.000 0.000 0.227 849 S C 2.252 177.037 174.600 0.309 0.000 1.037 849 S CA 1.665 60.040 58.200 0.292 0.000 1.024 849 S CB -0.735 62.552 63.200 0.145 0.000 0.861 849 S HN 0.901 nan 8.310 nan 0.000 0.456 850 S N 1.532 117.347 115.700 0.192 0.000 2.369 850 S HA -0.241 4.229 4.470 -0.000 0.000 0.225 850 S C 1.805 176.495 174.600 0.149 0.000 1.043 850 S CA 1.544 59.830 58.200 0.143 0.000 1.074 850 S CB -0.553 62.698 63.200 0.085 0.000 0.962 850 S HN 0.422 nan 8.310 nan 0.000 0.433 851 E N 0.041 120.306 120.200 0.109 0.000 2.273 851 E HA -0.129 4.221 4.350 -0.000 0.000 0.198 851 E C 1.629 178.276 176.600 0.077 0.000 1.002 851 E CA 0.915 57.318 56.400 0.004 0.000 0.828 851 E CB -0.450 29.162 29.700 -0.146 0.000 0.747 851 E HN 0.723 nan 8.360 nan 0.000 0.491 852 F N -0.113 119.974 119.950 0.229 0.000 2.293 852 F HA -0.107 4.420 4.527 -0.000 0.000 0.297 852 F C 2.149 178.022 175.800 0.122 0.000 1.089 852 F CA 0.811 58.963 58.000 0.254 0.000 1.377 852 F CB 0.132 39.225 39.000 0.156 0.000 1.051 852 F HN -0.094 nan 8.300 nan 0.000 0.511 853 V N -1.673 118.397 119.914 0.260 0.000 3.444 853 V HA 0.235 4.355 4.120 -0.000 0.000 0.308 853 V C 0.838 176.983 176.094 0.086 0.000 1.371 853 V CA -0.525 61.863 62.300 0.147 0.000 1.141 853 V CB -1.191 30.739 31.823 0.179 0.000 1.037 853 V HN 0.115 nan 8.190 nan 0.000 0.433 854 R N 2.094 122.644 120.500 0.083 0.000 2.740 854 R HA 0.279 4.619 4.340 -0.000 0.000 0.263 854 R C 0.202 176.507 176.300 0.008 0.000 0.997 854 R CA 1.205 57.326 56.100 0.035 0.000 1.108 854 R CB 0.346 30.654 30.300 0.012 0.000 0.969 854 R HN 0.820 nan 8.270 nan 0.000 0.431 855 S N 1.266 116.962 115.700 -0.006 0.000 2.570 855 S HA 0.574 5.044 4.470 -0.000 0.000 0.270 855 S C -1.352 173.235 174.600 -0.022 0.000 1.149 855 S CA -1.000 57.186 58.200 -0.023 0.000 0.837 855 S CB 2.163 65.346 63.200 -0.027 0.000 1.124 855 S HN 0.330 nan 8.310 nan 0.000 0.465 856 V N 2.790 122.688 119.914 -0.027 0.000 2.532 856 V HA 0.510 4.630 4.120 -0.000 0.000 0.294 856 V C -0.687 175.393 176.094 -0.023 0.000 1.036 856 V CA -0.779 61.507 62.300 -0.023 0.000 0.876 856 V CB 1.101 32.910 31.823 -0.023 0.000 1.012 856 V HN 1.049 nan 8.190 nan 0.000 0.432 857 N N 4.019 122.707 118.700 -0.020 0.000 2.727 857 N HA -0.202 4.538 4.740 -0.000 0.000 0.251 857 N C 1.232 176.729 175.510 -0.021 0.000 1.040 857 N CA 1.628 54.667 53.050 -0.018 0.000 0.712 857 N CB -0.932 37.545 38.487 -0.016 0.000 0.912 857 N HN 1.592 nan 8.380 nan 0.000 0.545 858 G N -0.901 107.884 108.800 -0.026 0.000 2.189 858 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.267 858 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.267 858 G C 0.156 175.031 174.900 -0.042 0.000 0.975 858 G CA 1.004 46.085 45.100 -0.031 0.000 0.644 858 G HN 0.763 nan 8.290 nan 0.000 0.537 859 R N 0.598 121.071 120.500 -0.045 0.000 2.494 859 R HA 0.633 4.973 4.340 -0.000 0.000 0.305 859 R C 0.256 176.513 176.300 -0.071 0.000 0.959 859 R CA -0.096 55.968 56.100 -0.060 0.000 0.864 859 R CB 1.001 31.274 30.300 -0.045 0.000 1.159 859 R HN 0.095 nan 8.270 nan 0.000 0.446 860 S N 1.929 117.562 115.700 -0.112 0.000 2.560 860 S HA 0.267 4.737 4.470 -0.000 0.000 0.284 860 S C -0.692 173.870 174.600 -0.064 0.000 1.327 860 S CA -0.256 57.875 58.200 -0.115 0.000 1.055 860 S CB 0.947 64.015 63.200 -0.220 0.000 0.868 860 S HN 0.370 nan 8.310 nan 0.000 0.506 861 V N 3.316 123.218 119.914 -0.018 0.000 2.888 861 V HA 0.470 4.590 4.120 -0.000 0.000 0.309 861 V C -1.316 174.842 176.094 0.107 0.000 1.114 861 V CA -0.763 61.553 62.300 0.025 0.000 0.940 861 V CB 1.973 33.795 31.823 -0.001 0.000 1.021 861 V HN 0.790 nan 8.190 nan 0.000 0.426 862 F N 2.319 122.222 119.950 -0.077 0.000 2.366 862 F HA 0.486 5.013 4.527 -0.000 0.000 0.366 862 F C 1.175 176.917 175.800 -0.096 0.000 1.096 862 F CA -0.105 57.834 58.000 -0.101 0.000 1.060 862 F CB 1.816 40.765 39.000 -0.084 0.000 1.282 862 F HN 0.573 nan 8.300 nan 0.000 0.450 863 T N 2.509 116.798 114.554 -0.442 0.000 2.851 863 T HA -0.091 4.259 4.350 -0.000 0.000 0.262 863 T C 1.663 176.036 174.700 -0.545 0.000 1.043 863 T CA 0.980 62.845 62.100 -0.392 0.000 1.140 863 T CB 0.013 68.714 68.868 -0.278 0.000 0.872 863 T HN 0.451 nan 8.240 nan 0.000 0.446 864 E N 0.729 120.372 120.200 -0.929 0.000 2.339 864 E HA -0.049 4.301 4.350 -0.000 0.000 0.201 864 E C 1.604 177.946 176.600 -0.430 0.000 1.015 864 E CA 0.918 56.886 56.400 -0.721 0.000 0.841 864 E CB -0.702 28.498 29.700 -0.833 0.000 0.754 864 E HN 0.612 nan 8.360 nan 0.000 0.508 865 G N 0.638 109.235 108.800 -0.339 0.000 2.554 865 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.253 865 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.253 865 G C -0.151 174.814 174.900 0.108 0.000 1.172 865 G CA 0.133 45.198 45.100 -0.059 0.000 0.950 865 G HN 0.283 nan 8.290 nan 0.000 0.557 866 R N -0.351 120.187 120.500 0.063 0.000 2.643 866 R HA 0.700 5.040 4.340 -0.000 0.000 0.272 866 R C -0.020 176.335 176.300 0.092 0.000 0.995 866 R CA -0.717 55.439 56.100 0.092 0.000 1.032 866 R CB 1.287 31.611 30.300 0.040 0.000 1.126 866 R HN 0.439 nan 8.270 nan 0.000 0.505 867 I N 1.986 122.620 120.570 0.106 0.000 2.304 867 I HA 0.110 4.280 4.170 -0.000 0.000 0.291 867 I C -0.484 175.663 176.117 0.051 0.000 1.018 867 I CA -0.598 60.769 61.300 0.111 0.000 1.260 867 I CB 1.241 39.336 38.000 0.159 0.000 1.390 867 I HN 0.402 nan 8.210 nan 0.000 0.475 868 D N 5.896 126.315 120.400 0.031 0.000 2.487 868 D HA 0.388 5.028 4.640 -0.000 0.000 0.243 868 D C -0.109 176.202 176.300 0.018 0.000 1.154 868 D CA 0.746 54.747 54.000 0.002 0.000 0.876 868 D CB 0.859 41.642 40.800 -0.027 0.000 1.161 868 D HN 0.668 nan 8.370 nan 0.000 0.478 869 A N 2.708 125.550 122.820 0.037 0.000 2.587 869 A HA 0.657 4.977 4.320 -0.000 0.000 0.293 869 A C -0.982 176.685 177.584 0.138 0.000 1.087 869 A CA -0.726 51.368 52.037 0.096 0.000 0.692 869 A CB 1.204 20.272 19.000 0.113 0.000 1.291 869 A HN 0.494 nan 8.150 nan 0.000 0.407 870 I N 1.461 122.136 120.570 0.175 0.000 2.339 870 I HA 0.314 4.484 4.170 -0.000 0.000 0.290 870 I C 0.180 176.346 176.117 0.082 0.000 0.994 870 I CA -0.445 60.949 61.300 0.158 0.000 1.191 870 I CB 1.696 39.802 38.000 0.176 0.000 1.343 870 I HN 0.694 nan 8.210 nan 0.000 0.458 871 K N 6.286 126.689 120.400 0.005 0.000 2.276 871 K HA 0.455 4.775 4.320 -0.000 0.000 0.285 871 K C -1.195 175.198 176.600 -0.345 0.000 1.062 871 K CA -0.389 55.724 56.287 -0.288 0.000 0.918 871 K CB 1.110 33.495 32.500 -0.191 0.000 1.055 871 K HN 0.402 nan 8.250 nan 0.000 0.477 872 V N 5.557 125.096 119.914 -0.624 0.000 2.293 872 V HA 0.105 4.225 4.120 -0.000 0.000 0.275 872 V C 0.042 175.829 176.094 -0.512 0.000 1.021 872 V CA -0.914 61.026 62.300 -0.600 0.000 0.815 872 V CB 1.038 32.222 31.823 -1.066 0.000 1.025 872 V HN 0.809 nan 8.190 nan 0.000 0.448 873 N N 4.870 123.427 118.700 -0.238 0.000 2.926 873 N HA 0.096 4.836 4.740 -0.000 0.000 0.284 873 N C -0.174 175.329 175.510 -0.012 0.000 1.303 873 N CA 0.290 53.267 53.050 -0.121 0.000 1.062 873 N CB 0.199 38.652 38.487 -0.057 0.000 1.389 873 N HN 0.631 nan 8.380 nan 0.000 0.538 874 M N 0.171 119.780 119.600 0.014 0.000 2.472 874 M HA 0.250 4.730 4.480 -0.000 0.000 0.331 874 M C 0.118 176.558 176.300 0.235 0.000 1.170 874 M CA -0.762 54.665 55.300 0.212 0.000 1.009 874 M CB 2.062 34.923 32.600 0.435 0.000 1.672 874 M HN -0.041 nan 8.290 nan 0.000 0.453 875 R N 2.279 122.895 120.500 0.193 0.000 2.438 875 R HA 0.651 4.991 4.340 -0.000 0.000 0.287 875 R C -1.508 174.881 176.300 0.149 0.000 1.077 875 R CA -0.004 56.184 56.100 0.147 0.000 1.034 875 R CB 0.788 31.142 30.300 0.091 0.000 0.993 875 R HN 0.779 nan 8.270 nan 0.000 0.459 876 A N 3.853 126.750 122.820 0.128 0.000 2.539 876 A HA 0.387 4.707 4.320 -0.000 0.000 0.296 876 A C -1.529 176.078 177.584 0.038 0.000 1.073 876 A CA -0.866 51.203 52.037 0.052 0.000 0.700 876 A CB 1.592 20.614 19.000 0.036 0.000 1.296 876 A HN 0.721 nan 8.150 nan 0.000 0.405 877 K N 1.447 121.822 120.400 -0.041 0.000 2.206 877 K HA 0.641 4.961 4.320 -0.000 0.000 0.264 877 K C -1.415 175.137 176.600 -0.079 0.000 0.967 877 K CA -0.501 55.718 56.287 -0.114 0.000 0.844 877 K CB 0.668 33.081 32.500 -0.146 0.000 1.099 877 K HN 0.671 nan 8.250 nan 0.000 0.441 878 F N 1.203 121.117 119.950 -0.059 0.000 2.436 878 F HA 0.379 4.906 4.527 -0.000 0.000 0.340 878 F C -0.510 175.247 175.800 -0.072 0.000 1.113 878 F CA -1.379 56.579 58.000 -0.070 0.000 1.022 878 F CB 1.081 40.050 39.000 -0.052 0.000 1.128 878 F HN 0.418 nan 8.300 nan 0.000 0.466 879 D N 4.628 125.061 120.400 0.054 0.000 2.411 879 D HA 0.246 4.886 4.640 -0.000 0.000 0.225 879 D C -0.864 175.464 176.300 0.047 0.000 1.156 879 D CA -0.168 53.826 54.000 -0.010 0.000 0.874 879 D CB 0.747 41.525 40.800 -0.036 0.000 1.034 879 D HN 0.686 nan 8.370 nan 0.000 0.502 880 L N 3.160 124.413 121.223 0.050 0.000 2.395 880 L HA 0.440 4.780 4.340 -0.000 0.000 0.269 880 L C -0.718 176.058 176.870 -0.156 0.000 1.133 880 L CA 0.243 55.057 54.840 -0.043 0.000 0.812 880 L CB 1.077 43.093 42.059 -0.071 0.000 1.125 880 L HN 0.417 nan 8.230 nan 0.000 0.452 881 Q N 3.759 123.412 119.800 -0.245 0.000 2.281 881 Q HA 0.315 4.655 4.340 -0.000 0.000 0.263 881 Q C -1.879 174.009 176.000 -0.187 0.000 0.989 881 Q CA -0.404 55.296 55.803 -0.173 0.000 0.852 881 Q CB 1.565 30.260 28.738 -0.071 0.000 1.337 881 Q HN 0.644 nan 8.270 nan 0.000 0.418 882 F N 3.196 123.175 119.950 0.048 0.000 2.399 882 F HA 0.573 5.100 4.527 -0.000 0.000 0.334 882 F C 0.452 176.286 175.800 0.056 0.000 1.097 882 F CA -0.633 57.401 58.000 0.057 0.000 1.076 882 F CB 1.303 40.333 39.000 0.049 0.000 1.162 882 F HN 0.322 nan 8.300 nan 0.000 0.495 883 I N 1.889 122.652 120.570 0.321 0.000 2.582 883 I HA 0.256 4.426 4.170 -0.000 0.000 0.292 883 I C -0.640 175.601 176.117 0.206 0.000 1.066 883 I CA -0.723 60.703 61.300 0.211 0.000 1.053 883 I CB 2.552 40.659 38.000 0.179 0.000 1.241 883 I HN 0.538 nan 8.210 nan 0.000 0.421 884 T N 1.463 116.100 114.554 0.139 0.000 2.799 884 T HA 0.435 4.785 4.350 -0.000 0.000 0.286 884 T C -0.334 174.440 174.700 0.123 0.000 0.973 884 T CA -0.848 61.313 62.100 0.102 0.000 1.035 884 T CB 1.710 70.604 68.868 0.043 0.000 0.932 884 T HN 0.301 nan 8.240 nan 0.000 0.469 885 E N 2.561 122.842 120.200 0.135 0.000 2.146 885 E HA 0.207 4.557 4.350 -0.000 0.000 0.282 885 E C 0.613 177.237 176.600 0.040 0.000 0.989 885 E CA -0.497 55.988 56.400 0.140 0.000 0.799 885 E CB 1.494 31.339 29.700 0.242 0.000 1.088 885 E HN 0.732 nan 8.360 nan 0.000 0.397 886 E N 1.237 121.423 120.200 -0.023 0.000 2.364 886 E HA 0.106 4.456 4.350 -0.000 0.000 0.196 886 E C 1.030 177.535 176.600 -0.157 0.000 0.990 886 E CA 0.597 56.955 56.400 -0.071 0.000 0.886 886 E CB 0.761 30.421 29.700 -0.067 0.000 0.866 886 E HN 0.797 nan 8.360 nan 0.000 0.493 887 G N 1.151 109.763 108.800 -0.314 0.000 2.211 887 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.201 887 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.201 887 G C 0.641 174.951 174.900 -0.984 0.000 0.997 887 G CA -0.240 44.491 45.100 -0.615 0.000 0.652 887 G HN 0.420 nan 8.290 nan 0.000 0.500 888 G N 0.289 108.725 108.800 -0.605 0.000 2.444 888 G HA2 0.460 4.420 3.960 -0.000 0.000 0.303 888 G HA3 0.460 4.420 3.960 -0.000 0.000 0.303 888 G C 0.296 174.852 174.900 -0.573 0.000 1.032 888 G CA -0.364 44.464 45.100 -0.455 0.000 1.137 888 G HN 0.383 nan 8.290 nan 0.000 0.430 889 Y N 2.333 122.432 120.300 -0.335 0.000 2.487 889 Y HA 0.138 4.688 4.550 -0.000 0.000 0.339 889 Y C 1.579 177.363 175.900 -0.193 0.000 1.191 889 Y CA -0.177 57.574 58.100 -0.581 0.000 1.279 889 Y CB -0.136 37.987 38.460 -0.562 0.000 1.122 889 Y HN 0.519 nan 8.280 nan 0.000 0.500 890 S N -0.468 115.250 115.700 0.029 0.000 2.578 890 S HA 0.520 4.990 4.470 -0.000 0.000 0.301 890 S C -0.423 174.262 174.600 0.142 0.000 1.091 890 S CA -1.144 57.115 58.200 0.097 0.000 1.032 890 S CB 1.573 64.799 63.200 0.043 0.000 1.064 890 S HN 0.385 nan 8.310 nan 0.000 0.508 891 K N 0.823 121.300 120.400 0.129 0.000 4.361 891 K HA -0.092 4.228 4.320 -0.000 0.000 0.294 891 K C -2.343 174.329 176.600 0.120 0.000 0.970 891 K CA 0.424 56.766 56.287 0.092 0.000 0.913 891 K CB -1.742 30.791 32.500 0.055 0.000 1.583 891 K HN 0.715 nan 8.250 nan 0.000 0.438 892 P HA 0.078 nan 4.420 nan 0.000 0.270 892 P C -2.151 175.036 177.300 -0.189 0.000 1.227 892 P CA -0.884 62.091 63.100 -0.208 0.000 0.788 892 P CB 0.059 31.556 31.700 -0.338 0.000 0.926 893 P HA 0.202 nan 4.420 nan 0.000 0.272 893 P C -0.461 176.707 177.300 -0.219 0.000 1.240 893 P CA 0.002 62.971 63.100 -0.219 0.000 0.791 893 P CB 0.184 31.700 31.700 -0.306 0.000 0.978 894 N N 0.474 119.073 118.700 -0.168 0.000 2.558 894 N HA 0.305 5.045 4.740 -0.000 0.000 0.242 894 N C -1.551 173.857 175.510 -0.169 0.000 0.979 894 N CA -0.392 52.572 53.050 -0.143 0.000 0.931 894 N CB 0.334 38.768 38.487 -0.089 0.000 1.122 894 N HN -0.033 nan 8.380 nan 0.000 0.508 895 V N 3.380 123.167 119.914 -0.211 0.000 2.370 895 V HA 0.283 4.403 4.120 -0.000 0.000 0.279 895 V C 0.537 176.551 176.094 -0.132 0.000 1.029 895 V CA -0.864 61.306 62.300 -0.217 0.000 0.870 895 V CB 1.099 32.733 31.823 -0.314 0.000 0.984 895 V HN 0.513 nan 8.190 nan 0.000 0.451 896 K N 5.015 125.354 120.400 -0.101 0.000 2.383 896 K HA 0.289 4.609 4.320 -0.000 0.000 0.286 896 K C -0.349 176.212 176.600 -0.065 0.000 1.051 896 K CA -0.128 56.116 56.287 -0.072 0.000 0.974 896 K CB 0.360 32.824 32.500 -0.060 0.000 0.968 896 K HN 0.619 nan 8.250 nan 0.000 0.475 897 K N 4.191 124.560 120.400 -0.053 0.000 2.345 897 K HA 0.289 4.609 4.320 -0.000 0.000 0.255 897 K C -1.081 175.504 176.600 -0.026 0.000 0.934 897 K CA -1.053 55.210 56.287 -0.040 0.000 0.801 897 K CB 1.680 34.157 32.500 -0.037 0.000 1.137 897 K HN 0.267 nan 8.250 nan 0.000 0.424 898 L N 4.380 125.589 121.223 -0.023 0.000 2.255 898 L HA 0.304 4.644 4.340 -0.000 0.000 0.289 898 L C -0.657 176.228 176.870 0.025 0.000 1.046 898 L CA -0.171 54.658 54.840 -0.018 0.000 0.816 898 L CB 0.720 42.745 42.059 -0.057 0.000 1.197 898 L HN 0.567 nan 8.230 nan 0.000 0.427 899 M N 3.547 123.174 119.600 0.044 0.000 2.283 899 M HA 0.149 4.629 4.480 -0.000 0.000 0.314 899 M C 0.924 177.308 176.300 0.141 0.000 1.153 899 M CA -0.311 55.048 55.300 0.099 0.000 1.084 899 M CB 0.436 33.086 32.600 0.084 0.000 1.468 899 M HN 0.593 nan 8.290 nan 0.000 0.474 900 F N 1.641 121.583 119.950 -0.014 0.000 2.161 900 F HA -0.197 4.330 4.527 -0.000 0.000 0.300 900 F C 2.127 177.899 175.800 -0.045 0.000 1.089 900 F CA 1.900 59.840 58.000 -0.099 0.000 1.282 900 F CB -0.228 38.441 39.000 -0.552 0.000 1.010 900 F HN 0.638 nan 8.300 nan 0.000 0.485 901 S N 0.324 116.012 115.700 -0.019 0.000 2.372 901 S HA -0.275 4.195 4.470 -0.000 0.000 0.227 901 S C 1.688 176.226 174.600 -0.104 0.000 1.044 901 S CA 1.746 59.896 58.200 -0.084 0.000 1.050 901 S CB -0.676 62.524 63.200 -0.000 0.000 0.901 901 S HN 0.497 nan 8.310 nan 0.000 0.447 902 D N 0.426 120.809 120.400 -0.029 0.000 2.144 902 D HA -0.047 4.593 4.640 -0.000 0.000 0.200 902 D C 1.628 177.958 176.300 0.050 0.000 0.978 902 D CA 0.734 54.736 54.000 0.002 0.000 0.833 902 D CB -0.330 40.477 40.800 0.012 0.000 0.961 902 D HN 0.374 nan 8.370 nan 0.000 0.470 903 F N 1.921 121.781 119.950 -0.150 0.000 2.171 903 F HA -0.091 4.436 4.527 -0.000 0.000 0.300 903 F C 2.092 177.844 175.800 -0.081 0.000 1.090 903 F CA 0.825 58.764 58.000 -0.102 0.000 1.293 903 F CB -0.401 38.548 39.000 -0.086 0.000 1.013 903 F HN -0.132 nan 8.300 nan 0.000 0.486 904 L N -1.013 119.986 121.223 -0.372 0.000 2.056 904 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 904 L C 2.436 179.164 176.870 -0.237 0.000 1.078 904 L CA 1.410 55.984 54.840 -0.442 0.000 0.749 904 L CB -1.152 40.632 42.059 -0.459 0.000 0.901 904 L HN -0.028 nan 8.230 nan 0.000 0.433 905 S N -0.347 115.275 115.700 -0.130 0.000 2.469 905 S HA -0.145 4.325 4.470 -0.000 0.000 0.238 905 S C 1.600 176.191 174.600 -0.016 0.000 0.998 905 S CA 1.032 59.189 58.200 -0.072 0.000 0.957 905 S CB -0.272 62.904 63.200 -0.039 0.000 0.764 905 S HN 0.329 nan 8.310 nan 0.000 0.514 906 F N 2.125 121.994 119.950 -0.134 0.000 2.094 906 F HA 0.143 4.670 4.527 -0.000 0.000 0.291 906 F C 1.722 177.505 175.800 -0.028 0.000 1.109 906 F CA 0.975 58.955 58.000 -0.034 0.000 1.221 906 F CB -0.594 38.443 39.000 0.061 0.000 1.014 906 F HN 0.035 nan 8.300 nan 0.000 0.473 907 L N 0.240 121.376 121.223 -0.146 0.000 2.189 907 L HA -0.248 4.092 4.340 -0.000 0.000 0.214 907 L C 1.867 178.611 176.870 -0.210 0.000 1.097 907 L CA 1.424 56.117 54.840 -0.245 0.000 0.764 907 L CB -0.719 41.082 42.059 -0.430 0.000 0.900 907 L HN 0.207 nan 8.230 nan 0.000 0.436 908 D N -1.379 118.897 120.400 -0.207 0.000 2.183 908 D HA -0.121 4.519 4.640 -0.000 0.000 0.205 908 D C 2.321 178.493 176.300 -0.214 0.000 0.962 908 D CA 1.059 54.951 54.000 -0.180 0.000 0.849 908 D CB 0.169 40.879 40.800 -0.150 0.000 0.978 908 D HN 0.067 nan 8.370 nan 0.000 0.488 909 S N -0.587 114.932 115.700 -0.300 0.000 2.474 909 S HA -0.119 4.351 4.470 -0.000 0.000 0.235 909 S C 0.986 175.221 174.600 -0.609 0.000 0.997 909 S CA 0.725 58.656 58.200 -0.448 0.000 0.949 909 S CB -0.130 62.747 63.200 -0.537 0.000 0.766 909 S HN 0.294 nan 8.310 nan 0.000 0.517 910 H N 0.531 119.444 119.070 -0.262 0.000 2.567 910 H HA 0.228 4.784 4.556 -0.000 0.000 0.267 910 H C 1.422 176.696 175.328 -0.090 0.000 1.148 910 H CA 0.083 56.001 56.048 -0.217 0.000 1.031 910 H CB 0.177 29.733 29.762 -0.342 0.000 1.691 910 H HN 0.621 nan 8.280 nan 0.000 0.588 911 K N 0.826 121.194 120.400 -0.053 0.000 2.281 911 K HA -0.073 4.247 4.320 -0.000 0.000 0.203 911 K C 1.060 177.632 176.600 -0.048 0.000 1.046 911 K CA 1.634 57.885 56.287 -0.060 0.000 0.938 911 K CB 0.052 32.491 32.500 -0.102 0.000 0.737 911 K HN 0.049 nan 8.250 nan 0.000 0.458 912 S N -0.001 115.657 115.700 -0.069 0.000 2.601 912 S HA 0.153 4.623 4.470 -0.000 0.000 0.244 912 S C -0.703 173.776 174.600 -0.202 0.000 1.001 912 S CA -0.832 57.293 58.200 -0.124 0.000 0.984 912 S CB 0.063 63.172 63.200 -0.151 0.000 0.842 912 S HN 0.091 nan 8.310 nan 0.000 0.474 913 D N 1.308 121.661 120.400 -0.077 0.000 2.345 913 D HA 0.295 4.935 4.640 -0.000 0.000 0.247 913 D C 0.574 176.841 176.300 -0.056 0.000 1.108 913 D CA -0.140 53.794 54.000 -0.109 0.000 0.894 913 D CB 0.442 41.206 40.800 -0.061 0.000 1.203 913 D HN 0.231 nan 8.370 nan 0.000 0.430 914 Y N 0.839 121.135 120.300 -0.007 0.000 2.206 914 Y HA 0.025 4.575 4.550 -0.000 0.000 0.292 914 Y C 1.077 176.912 175.900 -0.109 0.000 1.123 914 Y CA 0.446 58.526 58.100 -0.033 0.000 1.142 914 Y CB 0.445 38.888 38.460 -0.029 0.000 1.006 914 Y HN 0.038 nan 8.280 nan 0.000 0.518 915 R N 0.824 121.311 120.500 -0.021 0.000 2.637 915 R HA 0.265 4.605 4.340 -0.000 0.000 0.291 915 R C -2.692 173.427 176.300 -0.302 0.000 0.963 915 R CA -2.329 53.618 56.100 -0.254 0.000 0.901 915 R CB 0.702 30.739 30.300 -0.438 0.000 1.160 915 R HN -0.119 nan 8.270 nan 0.000 0.457 916 P HA -0.064 nan 4.420 nan 0.000 0.257 916 P C -2.514 174.462 177.300 -0.539 0.000 1.162 916 P CA -0.410 62.321 63.100 -0.616 0.000 0.762 916 P CB 0.230 31.803 31.700 -0.212 0.000 0.753 917 P HA 0.275 nan 4.420 nan 0.000 0.280 917 P C -0.872 176.321 177.300 -0.179 0.000 1.272 917 P CA -0.704 62.086 63.100 -0.517 0.000 0.819 917 P CB 0.941 32.045 31.700 -0.995 0.000 1.122 918 L N 1.650 122.847 121.223 -0.044 0.000 2.272 918 L HA 0.380 4.720 4.340 -0.000 0.000 0.289 918 L C -0.631 176.258 176.870 0.032 0.000 1.032 918 L CA -0.896 53.955 54.840 0.019 0.000 0.810 918 L CB 0.382 42.423 42.059 -0.030 0.000 1.205 918 L HN 0.174 nan 8.230 nan 0.000 0.422 919 L N 4.845 126.000 121.223 -0.113 0.000 2.305 919 L HA 0.487 4.827 4.340 -0.000 0.000 0.281 919 L C -0.151 176.502 176.870 -0.361 0.000 1.085 919 L CA 0.563 55.081 54.840 -0.537 0.000 0.813 919 L CB 1.136 42.738 42.059 -0.761 0.000 1.157 919 L HN 0.697 nan 8.230 nan 0.000 0.436 920 T N 5.177 119.526 114.554 -0.342 0.000 2.743 920 T HA 0.508 4.858 4.350 -0.000 0.000 0.292 920 T C -0.467 174.096 174.700 -0.228 0.000 0.972 920 T CA -0.313 61.659 62.100 -0.213 0.000 0.967 920 T CB 0.810 69.593 68.868 -0.142 0.000 0.926 920 T HN 0.395 nan 8.240 nan 0.000 0.459 921 V N 7.894 127.706 119.914 -0.169 0.000 2.417 921 V HA 0.451 4.571 4.120 -0.000 0.000 0.291 921 V C -1.984 174.089 176.094 -0.035 0.000 1.024 921 V CA -2.040 60.176 62.300 -0.139 0.000 0.861 921 V CB 1.599 33.334 31.823 -0.147 0.000 0.985 921 V HN 0.689 nan 8.190 nan 0.000 0.436 922 P HA 0.566 nan 4.420 nan 0.000 0.284 922 P C -0.925 176.362 177.300 -0.022 0.000 1.258 922 P CA -0.526 62.560 63.100 -0.023 0.000 0.824 922 P CB 2.556 34.229 31.700 -0.045 0.000 1.038 923 I N 0.339 120.896 120.570 -0.021 0.000 2.610 923 I HA 0.321 4.491 4.170 -0.000 0.000 0.289 923 I C -1.416 174.663 176.117 -0.063 0.000 1.163 923 I CA -0.227 61.042 61.300 -0.052 0.000 1.044 923 I CB 2.104 40.049 38.000 -0.091 0.000 1.251 923 I HN 0.167 nan 8.210 nan 0.000 0.424 924 T N 7.979 122.509 114.554 -0.040 0.000 2.807 924 T HA 0.594 4.944 4.350 -0.000 0.000 0.279 924 T C -0.374 174.379 174.700 0.088 0.000 0.993 924 T CA -0.313 61.780 62.100 -0.011 0.000 0.970 924 T CB 1.339 70.185 68.868 -0.036 0.000 0.950 924 T HN 0.328 nan 8.240 nan 0.000 0.441 925 I N 2.336 122.979 120.570 0.122 0.000 2.406 925 I HA 0.469 4.639 4.170 -0.000 0.000 0.290 925 I C 0.769 177.125 176.117 0.398 0.000 0.999 925 I CA -0.842 60.610 61.300 0.253 0.000 1.124 925 I CB 1.671 39.830 38.000 0.265 0.000 1.289 925 I HN 0.717 nan 8.210 nan 0.000 0.441 926 G N 7.497 116.537 108.800 0.400 0.000 2.320 926 G HA2 0.563 4.523 3.960 -0.000 0.000 0.300 926 G HA3 0.563 4.523 3.960 -0.000 0.000 0.300 926 G C -0.496 174.542 174.900 0.229 0.000 1.126 926 G CA -0.436 44.893 45.100 0.381 0.000 0.896 926 G HN 0.428 nan 8.290 nan 0.000 0.436 927 L N 2.494 123.826 121.223 0.182 0.000 2.334 927 L HA 0.273 4.613 4.340 -0.000 0.000 0.277 927 L C 0.439 177.349 176.870 0.067 0.000 1.075 927 L CA -1.148 53.734 54.840 0.070 0.000 0.804 927 L CB 1.362 43.395 42.059 -0.044 0.000 1.174 927 L HN 0.464 nan 8.230 nan 0.000 0.438 928 N N 2.448 121.171 118.700 0.038 0.000 2.475 928 N HA -0.020 4.720 4.740 -0.000 0.000 0.267 928 N C -0.427 175.084 175.510 0.003 0.000 1.169 928 N CA 0.362 53.434 53.050 0.036 0.000 0.947 928 N CB 0.612 39.112 38.487 0.021 0.000 1.061 928 N HN 0.617 nan 8.380 nan 0.000 0.466 929 N N 3.534 122.239 118.700 0.009 0.000 2.471 929 N HA 0.154 4.894 4.740 -0.000 0.000 0.270 929 N C -1.129 174.369 175.510 -0.019 0.000 1.490 929 N CA -0.199 52.838 53.050 -0.021 0.000 0.850 929 N CB -0.097 38.375 38.487 -0.025 0.000 1.411 929 N HN 0.491 nan 8.380 nan 0.000 0.488 930 L N 0.893 122.112 121.223 -0.008 0.000 2.400 930 L HA 0.308 4.648 4.340 -0.000 0.000 0.262 930 L C 1.796 178.653 176.870 -0.021 0.000 1.309 930 L CA -0.415 54.416 54.840 -0.014 0.000 1.186 930 L CB -0.812 41.253 42.059 0.010 0.000 1.375 930 L HN 0.231 nan 8.230 nan 0.000 0.433 931 G N 2.719 111.500 108.800 -0.031 0.000 1.876 931 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.432 931 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.432 931 G C 0.249 175.132 174.900 -0.028 0.000 1.334 931 G CA -0.133 44.947 45.100 -0.033 0.000 1.071 931 G HN 0.605 nan 8.290 nan 0.000 0.435 932 E N -0.143 120.040 120.200 -0.028 0.000 2.343 932 E HA 0.387 4.737 4.350 -0.000 0.000 0.269 932 E C 0.035 176.626 176.600 -0.015 0.000 1.047 932 E CA 0.176 56.563 56.400 -0.021 0.000 0.874 932 E CB 0.888 30.573 29.700 -0.024 0.000 1.033 932 E HN 0.451 nan 8.360 nan 0.000 0.409 933 T N 0.549 115.099 114.554 -0.006 0.000 3.316 933 T HA 0.196 4.546 4.350 -0.000 0.000 0.341 933 T C 0.430 175.130 174.700 -0.000 0.000 1.397 933 T CA -0.830 61.269 62.100 -0.002 0.000 1.085 933 T CB -0.021 68.852 68.868 0.007 0.000 1.160 933 T HN 0.230 nan 8.240 nan 0.000 0.694 934 N N 2.127 120.824 118.700 -0.005 0.000 2.053 934 N HA -0.055 4.684 4.740 -0.000 0.000 0.187 934 N C 1.045 176.556 175.510 0.001 0.000 1.089 934 N CA 0.503 53.551 53.050 -0.003 0.000 0.888 934 N CB -0.802 37.681 38.487 -0.007 0.000 1.047 934 N HN 0.593 nan 8.380 nan 0.000 0.434 935 S N 0.816 116.516 115.700 -0.001 0.000 2.558 935 S HA -0.049 4.421 4.470 -0.000 0.000 0.293 935 S C 0.883 175.488 174.600 0.008 0.000 1.292 935 S CA -0.045 58.157 58.200 0.003 0.000 1.063 935 S CB 0.093 63.294 63.200 0.002 0.000 0.831 935 S HN 0.353 nan 8.310 nan 0.000 0.499 936 N N 1.981 120.687 118.700 0.010 0.000 2.159 936 N HA 0.150 4.890 4.740 -0.000 0.000 0.217 936 N C -0.349 175.169 175.510 0.013 0.000 1.223 936 N CA 0.006 53.063 53.050 0.013 0.000 0.896 936 N CB 0.425 38.918 38.487 0.011 0.000 1.064 936 N HN 0.505 nan 8.380 nan 0.000 0.518 937 T N 2.405 116.966 114.554 0.011 0.000 2.940 937 T HA 0.176 4.526 4.350 -0.000 0.000 0.309 937 T C 0.296 175.004 174.700 0.014 0.000 1.056 937 T CA -0.112 61.995 62.100 0.011 0.000 1.137 937 T CB 0.329 69.202 68.868 0.009 0.000 0.976 937 T HN 0.154 nan 8.240 nan 0.000 0.547 938 L N 2.706 123.937 121.223 0.012 0.000 2.289 938 L HA 0.665 5.005 4.340 -0.000 0.000 0.285 938 L C 0.722 177.600 176.870 0.013 0.000 1.049 938 L CA -0.910 53.939 54.840 0.014 0.000 0.804 938 L CB 0.993 43.058 42.059 0.010 0.000 1.195 938 L HN 0.755 nan 8.230 nan 0.000 0.428 939 R N 4.533 125.043 120.500 0.018 0.000 2.629 939 R HA 0.472 4.812 4.340 -0.000 0.000 0.408 939 R C -0.652 175.658 176.300 0.016 0.000 1.057 939 R CA -0.368 55.742 56.100 0.016 0.000 1.119 939 R CB 0.496 30.807 30.300 0.018 0.000 1.403 939 R HN 0.943 nan 8.270 nan 0.000 0.576 940 M N -1.209 118.397 119.600 0.010 0.000 2.660 940 M HA 0.445 4.925 4.480 -0.000 0.000 0.281 940 M C -1.663 174.631 176.300 -0.010 0.000 1.131 940 M CA -1.067 54.234 55.300 0.002 0.000 0.858 940 M CB 1.654 34.257 32.600 0.005 0.000 1.732 940 M HN -0.184 nan 8.290 nan 0.000 0.516 941 R N 0.949 121.443 120.500 -0.011 0.000 2.543 941 R HA 0.210 4.550 4.340 -0.000 0.000 0.277 941 R C 0.972 177.253 176.300 -0.031 0.000 1.074 941 R CA 0.256 56.347 56.100 -0.015 0.000 1.076 941 R CB 1.094 31.390 30.300 -0.006 0.000 0.993 941 R HN 0.960 nan 8.270 nan 0.000 0.459 942 S N 2.326 118.007 115.700 -0.031 0.000 2.387 942 S HA -0.201 4.269 4.470 -0.000 0.000 0.230 942 S C 1.215 175.792 174.600 -0.037 0.000 1.035 942 S CA 1.780 59.953 58.200 -0.045 0.000 1.014 942 S CB 0.048 63.230 63.200 -0.031 0.000 0.836 942 S HN 0.647 nan 8.310 nan 0.000 0.466 943 E N 1.000 121.190 120.200 -0.016 0.000 2.160 943 E HA -0.094 4.256 4.350 -0.000 0.000 0.195 943 E C 2.300 178.904 176.600 0.006 0.000 0.991 943 E CA 1.235 57.636 56.400 0.001 0.000 0.810 943 E CB -0.371 29.333 29.700 0.007 0.000 0.742 943 E HN 0.657 nan 8.360 nan 0.000 0.466 944 A N 0.687 123.500 122.820 -0.013 0.000 1.929 944 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 944 A C 2.173 179.739 177.584 -0.030 0.000 1.176 944 A CA 0.847 52.881 52.037 -0.006 0.000 0.628 944 A CB -0.400 18.594 19.000 -0.011 0.000 0.816 944 A HN 0.154 nan 8.150 nan 0.000 0.444 945 I N -0.114 120.376 120.570 -0.134 0.000 2.226 945 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 945 I C 1.885 178.021 176.117 0.031 0.000 1.100 945 I CA 1.408 62.535 61.300 -0.288 0.000 1.374 945 I CB -0.360 37.351 38.000 -0.482 0.000 1.057 945 I HN 0.274 nan 8.210 nan 0.000 0.413 946 D N 0.569 121.021 120.400 0.087 0.000 2.104 946 D HA -0.231 4.409 4.640 -0.000 0.000 0.194 946 D C 2.007 178.430 176.300 0.204 0.000 0.994 946 D CA 1.281 55.393 54.000 0.187 0.000 0.830 946 D CB -0.241 40.620 40.800 0.101 0.000 0.959 946 D HN 0.375 nan 8.370 nan 0.000 0.452 947 E N -0.472 119.807 120.200 0.132 0.000 2.097 947 E HA -0.237 4.113 4.350 -0.000 0.000 0.196 947 E C 2.024 178.711 176.600 0.144 0.000 1.000 947 E CA 0.864 57.337 56.400 0.120 0.000 0.804 947 E CB -0.162 29.589 29.700 0.086 0.000 0.740 947 E HN 0.316 nan 8.360 nan 0.000 0.454 948 Y N 0.259 120.550 120.300 -0.015 0.000 2.014 948 Y HA -0.320 4.230 4.550 -0.000 0.000 0.272 948 Y C 1.869 177.738 175.900 -0.051 0.000 1.164 948 Y CA 2.281 60.331 58.100 -0.085 0.000 1.114 948 Y CB -0.731 37.596 38.460 -0.221 0.000 0.961 948 Y HN 0.049 nan 8.280 nan 0.000 0.489 949 F N 0.518 120.654 119.950 0.310 0.000 2.287 949 F HA -0.242 4.285 4.527 -0.000 0.000 0.301 949 F C 2.735 178.630 175.800 0.159 0.000 1.069 949 F CA 1.298 59.420 58.000 0.204 0.000 1.372 949 F CB -0.708 38.362 39.000 0.117 0.000 1.056 949 F HN 0.241 nan 8.300 nan 0.000 0.523 950 S N -1.198 114.650 115.700 0.247 0.000 2.528 950 S HA -0.168 4.302 4.470 -0.000 0.000 0.244 950 S C 1.964 176.632 174.600 0.114 0.000 0.982 950 S CA 1.230 59.534 58.200 0.174 0.000 0.953 950 S CB -0.610 62.666 63.200 0.126 0.000 0.754 950 S HN 0.281 nan 8.310 nan 0.000 0.529 951 S N 0.912 116.658 115.700 0.076 0.000 2.368 951 S HA -0.021 4.449 4.470 -0.000 0.000 0.225 951 S C 1.312 175.900 174.600 -0.021 0.000 1.030 951 S CA 1.271 59.444 58.200 -0.045 0.000 0.999 951 S CB -0.610 62.457 63.200 -0.221 0.000 0.844 951 S HN 0.721 nan 8.310 nan 0.000 0.459 952 Y N 1.662 121.952 120.300 -0.016 0.000 2.403 952 Y HA 0.034 4.584 4.550 -0.000 0.000 0.291 952 Y C 1.007 176.887 175.900 -0.034 0.000 1.143 952 Y CA -0.127 57.976 58.100 0.005 0.000 1.257 952 Y CB -0.674 37.833 38.460 0.078 0.000 0.984 952 Y HN 0.006 nan 8.280 nan 0.000 0.550 953 V N -0.373 119.604 119.914 0.105 0.000 2.649 953 V HA 0.513 4.633 4.120 -0.000 0.000 0.292 953 V C 1.068 177.118 176.094 -0.074 0.000 1.055 953 V CA 0.741 63.012 62.300 -0.049 0.000 1.023 953 V CB 0.728 32.518 31.823 -0.055 0.000 0.992 953 V HN 0.472 nan 8.190 nan 0.000 0.480 954 G N 2.744 111.462 108.800 -0.137 0.000 3.382 954 G HA2 0.063 4.023 3.960 -0.000 0.000 0.214 954 G HA3 0.063 4.023 3.960 -0.000 0.000 0.214 954 G C 0.483 175.355 174.900 -0.046 0.000 1.025 954 G CA 0.152 45.209 45.100 -0.073 0.000 0.869 954 G HN 1.229 nan 8.290 nan 0.000 0.458 955 A N 0.468 123.255 122.820 -0.054 0.000 2.555 955 A HA 0.515 4.835 4.320 -0.000 0.000 0.233 955 A C 1.069 178.669 177.584 0.027 0.000 1.060 955 A CA 1.502 53.530 52.037 -0.014 0.000 0.759 955 A CB 0.179 19.163 19.000 -0.027 0.000 0.995 955 A HN 0.509 nan 8.150 nan 0.000 0.506 956 Q N 0.143 119.995 119.800 0.088 0.000 2.322 956 Q HA 0.251 4.591 4.340 -0.000 0.000 0.250 956 Q C -0.963 175.151 176.000 0.190 0.000 0.853 956 Q CA 0.067 55.975 55.803 0.174 0.000 0.951 956 Q CB 0.652 29.552 28.738 0.269 0.000 1.114 956 Q HN 0.658 nan 8.270 nan 0.000 0.523 957 I N 2.142 122.786 120.570 0.124 0.000 2.389 957 I HA 0.284 4.454 4.170 -0.000 0.000 0.288 957 I C -0.825 175.334 176.117 0.069 0.000 0.999 957 I CA -0.826 60.537 61.300 0.104 0.000 1.129 957 I CB 1.524 39.501 38.000 -0.039 0.000 1.288 957 I HN 0.011 nan 8.210 nan 0.000 0.444 958 L N 5.630 126.939 121.223 0.144 0.000 2.502 958 L HA 0.941 5.281 4.340 -0.000 0.000 0.253 958 L C -1.333 175.635 176.870 0.163 0.000 1.070 958 L CA -0.957 53.940 54.840 0.095 0.000 0.871 958 L CB 1.875 43.961 42.059 0.045 0.000 1.487 958 L HN 0.100 nan 8.230 nan 0.000 0.408 959 V N -0.334 119.615 119.914 0.060 0.000 2.577 959 V HA 0.553 4.673 4.120 -0.000 0.000 0.303 959 V C -2.423 173.624 176.094 -0.079 0.000 1.042 959 V CA -1.453 60.876 62.300 0.048 0.000 0.872 959 V CB 1.613 33.406 31.823 -0.051 0.000 0.998 959 V HN 0.723 nan 8.190 nan 0.000 0.423 960 P HA 0.121 nan 4.420 nan 0.000 0.264 960 P C 1.171 178.324 177.300 -0.244 0.000 1.179 960 P CA 0.350 63.356 63.100 -0.156 0.000 0.763 960 P CB 0.585 32.236 31.700 -0.082 0.000 0.806 961 I N 1.543 121.898 120.570 -0.357 0.000 2.335 961 I HA -0.340 3.830 4.170 -0.000 0.000 0.251 961 I C 1.489 177.460 176.117 -0.243 0.000 1.129 961 I CA 1.645 62.701 61.300 -0.406 0.000 1.402 961 I CB -0.777 36.758 38.000 -0.775 0.000 1.069 961 I HN 0.392 nan 8.210 nan 0.000 0.424 962 N N 0.843 119.464 118.700 -0.133 0.000 2.184 962 N HA -0.198 4.542 4.740 -0.000 0.000 0.190 962 N C 1.782 177.257 175.510 -0.060 0.000 1.011 962 N CA 1.163 54.198 53.050 -0.026 0.000 0.867 962 N CB -0.661 37.838 38.487 0.021 0.000 0.993 962 N HN 0.228 nan 8.380 nan 0.000 0.433 963 V N 0.478 120.308 119.914 -0.140 0.000 2.626 963 V HA -0.039 4.081 4.120 -0.000 0.000 0.252 963 V C 0.330 176.321 176.094 -0.172 0.000 1.067 963 V CA 0.745 62.948 62.300 -0.163 0.000 1.081 963 V CB -0.131 31.503 31.823 -0.316 0.000 0.686 963 V HN 0.064 nan 8.190 nan 0.000 0.468 964 V N 2.442 122.215 119.914 -0.233 0.000 2.397 964 V HA 0.138 4.258 4.120 -0.000 0.000 0.262 964 V C -0.051 176.064 176.094 0.036 0.000 1.047 964 V CA -0.144 62.102 62.300 -0.089 0.000 1.003 964 V CB 0.596 32.345 31.823 -0.123 0.000 1.037 964 V HN 0.501 nan 8.190 nan 0.000 0.480 965 D N 4.623 125.099 120.400 0.127 0.000 2.316 965 D HA 0.414 5.054 4.640 -0.000 0.000 0.245 965 D C 0.228 176.523 176.300 -0.009 0.000 1.171 965 D CA 0.048 54.100 54.000 0.087 0.000 0.856 965 D CB 0.892 41.810 40.800 0.196 0.000 1.090 965 D HN 0.696 nan 8.370 nan 0.000 0.476 966 T N 0.931 115.461 114.554 -0.040 0.000 2.900 966 T HA 0.605 4.955 4.350 -0.000 0.000 0.295 966 T C -0.123 174.459 174.700 -0.197 0.000 1.044 966 T CA -1.144 60.902 62.100 -0.089 0.000 0.995 966 T CB 1.340 70.212 68.868 0.007 0.000 1.072 966 T HN 0.270 nan 8.240 nan 0.000 0.473 967 R N 1.400 121.709 120.500 -0.318 0.000 2.338 967 R HA 0.638 4.978 4.340 -0.000 0.000 0.317 967 R C -1.048 174.891 176.300 -0.602 0.000 0.968 967 R CA -0.854 54.910 56.100 -0.561 0.000 0.849 967 R CB 1.946 31.756 30.300 -0.817 0.000 1.128 967 R HN 0.514 nan 8.270 nan 0.000 0.448 968 V N 4.932 124.498 119.914 -0.580 0.000 2.328 968 V HA 0.280 4.400 4.120 -0.000 0.000 0.278 968 V C -0.764 175.070 176.094 -0.433 0.000 1.021 968 V CA -0.681 61.389 62.300 -0.382 0.000 0.838 968 V CB 0.536 32.239 31.823 -0.199 0.000 0.999 968 V HN 0.650 nan 8.190 nan 0.000 0.447 969 Y N 2.325 122.625 120.300 -0.001 0.000 2.341 969 Y HA 0.343 4.893 4.550 -0.000 0.000 0.337 969 Y C 1.323 177.311 175.900 0.146 0.000 1.014 969 Y CA -0.268 57.844 58.100 0.021 0.000 1.111 969 Y CB 2.318 40.744 38.460 -0.056 0.000 1.194 969 Y HN 0.574 nan 8.280 nan 0.000 0.462 970 T N 0.592 115.313 114.554 0.279 0.000 3.000 970 T HA 0.099 4.449 4.350 -0.000 0.000 0.248 970 T C 0.116 174.963 174.700 0.245 0.000 1.034 970 T CA 0.307 62.549 62.100 0.236 0.000 1.060 970 T CB 0.131 69.082 68.868 0.137 0.000 0.983 970 T HN 0.432 nan 8.240 nan 0.000 0.482 971 E N 1.142 121.450 120.200 0.179 0.000 2.156 971 E HA 0.254 4.604 4.350 -0.000 0.000 0.279 971 E C -0.043 176.591 176.600 0.057 0.000 0.965 971 E CA -0.508 55.969 56.400 0.128 0.000 0.789 971 E CB 1.292 31.033 29.700 0.069 0.000 1.098 971 E HN 0.245 nan 8.360 nan 0.000 0.397 972 F N 2.693 122.616 119.950 -0.046 0.000 2.154 972 F HA -0.287 4.240 4.527 -0.000 0.000 0.301 972 F C 2.022 177.692 175.800 -0.216 0.000 1.087 972 F CA 1.658 59.542 58.000 -0.193 0.000 1.274 972 F CB 0.136 39.063 39.000 -0.122 0.000 1.009 972 F HN 0.350 nan 8.300 nan 0.000 0.485 973 S N 0.157 115.828 115.700 -0.048 0.000 2.369 973 S HA -0.303 4.167 4.470 -0.000 0.000 0.225 973 S C 1.854 176.261 174.600 -0.322 0.000 1.043 973 S CA 1.938 60.038 58.200 -0.166 0.000 1.074 973 S CB -0.569 62.569 63.200 -0.103 0.000 0.962 973 S HN 0.530 nan 8.310 nan 0.000 0.433 974 E N 0.517 120.529 120.200 -0.314 0.000 2.085 974 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 974 E C 2.125 178.223 176.600 -0.837 0.000 0.994 974 E CA 1.106 57.227 56.400 -0.467 0.000 0.801 974 E CB -0.316 29.179 29.700 -0.341 0.000 0.743 974 E HN 0.303 nan 8.360 nan 0.000 0.453 975 L N 1.377 122.065 121.223 -0.891 0.000 2.131 975 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 975 L C 2.346 178.933 176.870 -0.472 0.000 1.092 975 L CA 1.688 56.016 54.840 -0.853 0.000 0.759 975 L CB -0.247 41.260 42.059 -0.920 0.000 0.903 975 L HN -0.049 nan 8.230 nan 0.000 0.435 976 R N -0.698 119.493 120.500 -0.514 0.000 2.057 976 R HA -0.113 4.227 4.340 -0.000 0.000 0.229 976 R C 1.971 178.172 176.300 -0.165 0.000 1.136 976 R CA 1.373 57.331 56.100 -0.237 0.000 0.952 976 R CB -0.339 29.805 30.300 -0.260 0.000 0.848 976 R HN 0.436 nan 8.270 nan 0.000 0.430 977 N N 0.414 118.943 118.700 -0.285 0.000 2.258 977 N HA -0.209 4.531 4.740 -0.000 0.000 0.187 977 N C 1.495 176.911 175.510 -0.156 0.000 1.012 977 N CA 1.172 54.084 53.050 -0.229 0.000 0.870 977 N CB -0.342 38.006 38.487 -0.232 0.000 0.977 977 N HN 0.217 nan 8.380 nan 0.000 0.434 978 F N 0.763 120.491 119.950 -0.371 0.000 2.098 978 F HA 0.049 4.576 4.527 -0.000 0.000 0.294 978 F C 0.734 176.315 175.800 -0.365 0.000 1.107 978 F CA 0.792 58.529 58.000 -0.439 0.000 1.234 978 F CB -0.385 38.172 39.000 -0.738 0.000 1.002 978 F HN -0.185 nan 8.300 nan 0.000 0.472 979 F N 1.526 121.427 119.950 -0.081 0.000 2.669 979 F HA 0.253 4.780 4.527 -0.000 0.000 0.353 979 F C -0.196 175.652 175.800 0.079 0.000 1.192 979 F CA 0.138 58.108 58.000 -0.050 0.000 1.317 979 F CB -0.470 38.517 39.000 -0.022 0.000 1.652 979 F HN -0.279 nan 8.300 nan 0.000 0.608 980 T N 0.508 115.127 114.554 0.109 0.000 2.991 980 T HA 0.699 5.049 4.350 -0.000 0.000 0.303 980 T C -0.268 174.459 174.700 0.045 0.000 1.015 980 T CA -1.046 61.135 62.100 0.136 0.000 1.007 980 T CB 1.702 70.569 68.868 -0.003 0.000 1.034 980 T HN 0.484 nan 8.240 nan 0.000 0.446 981 G N 2.481 111.349 108.800 0.114 0.000 2.750 981 G HA2 0.559 4.519 3.960 -0.000 0.000 0.298 981 G HA3 0.559 4.519 3.960 -0.000 0.000 0.298 981 G C -1.732 173.232 174.900 0.108 0.000 1.412 981 G CA -0.948 44.178 45.100 0.043 0.000 1.078 981 G HN 0.722 nan 8.290 nan 0.000 0.573 982 D N -0.722 119.723 120.400 0.074 0.000 2.326 982 D HA 0.709 5.349 4.640 -0.000 0.000 0.251 982 D C 0.268 176.621 176.300 0.088 0.000 1.023 982 D CA -0.854 53.209 54.000 0.106 0.000 0.966 982 D CB 2.132 42.986 40.800 0.090 0.000 1.156 982 D HN 0.954 nan 8.370 nan 0.000 0.494 983 V N -2.384 117.605 119.914 0.125 0.000 2.971 983 V HA 0.760 4.880 4.120 -0.000 0.000 0.309 983 V C -1.083 175.115 176.094 0.174 0.000 1.130 983 V CA -0.999 61.365 62.300 0.106 0.000 0.964 983 V CB 1.710 33.572 31.823 0.064 0.000 1.029 983 V HN 0.536 nan 8.190 nan 0.000 0.427 984 V N 4.812 124.813 119.914 0.145 0.000 2.487 984 V HA 0.724 4.844 4.120 -0.000 0.000 0.298 984 V C -0.414 175.819 176.094 0.233 0.000 1.028 984 V CA -0.265 62.153 62.300 0.198 0.000 0.860 984 V CB 1.351 33.234 31.823 0.100 0.000 0.991 984 V HN 1.087 nan 8.190 nan 0.000 0.427 985 I N 1.532 122.297 120.570 0.325 0.000 2.689 985 I HA 0.655 4.825 4.170 -0.000 0.000 0.299 985 I C -0.324 175.994 176.117 0.334 0.000 1.059 985 I CA -1.154 60.318 61.300 0.287 0.000 1.055 985 I CB 1.614 39.684 38.000 0.117 0.000 1.243 985 I HN 0.527 nan 8.210 nan 0.000 0.425 986 R N 2.865 123.486 120.500 0.202 0.000 2.389 986 R HA 0.135 4.475 4.340 -0.000 0.000 0.295 986 R C 0.078 176.277 176.300 -0.168 0.000 1.075 986 R CA -0.135 55.783 56.100 -0.304 0.000 1.005 986 R CB 0.584 30.514 30.300 -0.616 0.000 0.987 986 R HN 0.773 nan 8.270 nan 0.000 0.452 987 D N 1.592 121.900 120.400 -0.153 0.000 2.106 987 D HA -0.138 4.502 4.640 -0.000 0.000 0.191 987 D C -0.300 175.944 176.300 -0.094 0.000 0.997 987 D CA 1.664 55.639 54.000 -0.042 0.000 0.834 987 D CB 0.165 40.968 40.800 0.004 0.000 0.956 987 D HN 0.513 nan 8.370 nan 0.000 0.448 988 D N 0.474 120.759 120.400 -0.191 0.000 2.308 988 D HA 0.215 4.855 4.640 -0.000 0.000 0.242 988 D C -2.197 173.955 176.300 -0.246 0.000 1.059 988 D CA -1.552 52.345 54.000 -0.172 0.000 0.830 988 D CB 1.979 42.682 40.800 -0.163 0.000 1.161 988 D HN 0.023 nan 8.370 nan 0.000 0.494 989 P HA 0.010 nan 4.420 nan 0.000 0.268 989 P C -0.160 177.049 177.300 -0.151 0.000 1.208 989 P CA -0.106 62.931 63.100 -0.106 0.000 0.777 989 P CB 0.610 32.298 31.700 -0.021 0.000 0.875 990 F N 0.646 120.552 119.950 -0.074 0.000 2.496 990 F HA 0.073 4.600 4.527 -0.000 0.000 0.344 990 F C 1.451 177.187 175.800 -0.106 0.000 1.155 990 F CA 0.619 58.559 58.000 -0.101 0.000 1.302 990 F CB 0.158 39.094 39.000 -0.108 0.000 1.159 990 F HN 0.266 nan 8.300 nan 0.000 0.595 991 D N 2.236 122.679 120.400 0.071 0.000 2.359 991 D HA 0.364 5.004 4.640 -0.000 0.000 0.230 991 D C -1.090 175.172 176.300 -0.065 0.000 1.118 991 D CA -0.132 53.879 54.000 0.019 0.000 0.844 991 D CB 0.928 41.733 40.800 0.008 0.000 1.059 991 D HN 0.126 nan 8.370 nan 0.000 0.493 992 V N 4.438 124.344 119.914 -0.013 0.000 2.532 992 V HA 0.487 4.607 4.120 -0.000 0.000 0.295 992 V C -0.148 176.076 176.094 0.216 0.000 1.041 992 V CA -0.718 61.539 62.300 -0.072 0.000 0.926 992 V CB 1.164 32.889 31.823 -0.162 0.000 0.992 992 V HN 0.541 nan 8.190 nan 0.000 0.457 993 W N 0.804 122.090 121.300 -0.023 0.000 2.758 993 W HA 0.572 5.232 4.660 -0.000 0.000 0.355 993 W C -0.022 176.520 176.519 0.040 0.000 1.223 993 W CA -1.081 56.267 57.345 0.006 0.000 1.182 993 W CB 0.540 29.998 29.460 -0.004 0.000 1.464 993 W HN 0.433 nan 8.180 nan 0.000 0.630 994 D N -0.630 119.927 120.400 0.262 0.000 2.437 994 D HA 0.415 5.055 4.640 -0.000 0.000 0.259 994 D C 0.519 176.915 176.300 0.160 0.000 1.118 994 D CA -0.266 53.830 54.000 0.159 0.000 1.017 994 D CB 0.702 41.548 40.800 0.076 0.000 1.120 994 D HN 0.335 nan 8.370 nan 0.000 0.541 995 G N -0.855 108.010 108.800 0.109 0.000 2.631 995 G HA2 0.421 4.381 3.960 -0.000 0.000 0.271 995 G HA3 0.421 4.381 3.960 -0.000 0.000 0.271 995 G C -0.515 174.430 174.900 0.075 0.000 1.302 995 G CA -0.241 44.915 45.100 0.093 0.000 1.002 995 G HN 0.259 nan 8.290 nan 0.000 0.519 996 V N -0.359 119.593 119.914 0.064 0.000 2.709 996 V HA 0.339 4.459 4.120 -0.000 0.000 0.308 996 V C -0.123 175.983 176.094 0.020 0.000 1.062 996 V CA -1.057 61.267 62.300 0.040 0.000 0.901 996 V CB 2.071 33.927 31.823 0.055 0.000 1.003 996 V HN 0.678 nan 8.190 nan 0.000 0.425 997 K N 2.759 123.160 120.400 0.001 0.000 2.338 997 K HA 0.470 4.790 4.320 -0.000 0.000 0.290 997 K C 0.388 176.966 176.600 -0.038 0.000 1.069 997 K CA -0.063 56.219 56.287 -0.007 0.000 0.941 997 K CB 0.920 33.416 32.500 -0.007 0.000 1.023 997 K HN 0.892 nan 8.250 nan 0.000 0.477 998 A N 3.926 126.718 122.820 -0.046 0.000 2.797 998 A HA 0.073 4.393 4.320 -0.000 0.000 0.296 998 A C -0.090 177.347 177.584 -0.247 0.000 1.580 998 A CA -0.155 51.785 52.037 -0.163 0.000 1.277 998 A CB -0.359 18.586 19.000 -0.091 0.000 1.101 998 A HN 0.585 nan 8.150 nan 0.000 0.562 999 T N 2.679 117.087 114.554 -0.243 0.000 2.806 999 T HA 0.468 4.818 4.350 -0.000 0.000 0.290 999 T C -0.642 173.900 174.700 -0.264 0.000 0.966 999 T CA 0.382 62.391 62.100 -0.151 0.000 1.060 999 T CB 0.196 69.026 68.868 -0.063 0.000 0.927 999 T HN 0.418 nan 8.240 nan 0.000 0.485 1000 Y N 2.552 122.863 120.300 0.017 0.000 2.387 1000 Y HA 0.668 5.218 4.550 -0.000 0.000 0.336 1000 Y C 0.577 176.491 175.900 0.024 0.000 1.067 1000 Y CA -1.385 56.727 58.100 0.021 0.000 1.114 1000 Y CB 1.068 39.536 38.460 0.014 0.000 1.208 1000 Y HN 0.554 nan 8.280 nan 0.000 0.458 1001 I N 0.832 121.512 120.570 0.183 0.000 2.892 1001 I HA 0.723 4.893 4.170 -0.000 0.000 0.306 1001 I C -2.861 173.334 176.117 0.131 0.000 1.078 1001 I CA -2.952 58.419 61.300 0.119 0.000 1.032 1001 I CB 2.459 40.506 38.000 0.078 0.000 1.229 1001 I HN 0.258 nan 8.210 nan 0.000 0.435 1002 P HA 0.379 nan 4.420 nan 0.000 0.274 1002 P C -1.005 176.377 177.300 0.136 0.000 1.237 1002 P CA 0.073 63.245 63.100 0.120 0.000 0.793 1002 P CB 2.087 33.826 31.700 0.065 0.000 0.977 1003 I N -0.345 120.340 120.570 0.192 0.000 3.195 1003 I HA 0.648 4.818 4.170 -0.000 0.000 0.313 1003 I C -0.225 176.044 176.117 0.254 0.000 1.237 1003 I CA 0.064 61.473 61.300 0.182 0.000 0.963 1003 I CB 1.773 39.869 38.000 0.161 0.000 1.278 1003 I HN 0.799 nan 8.210 nan 0.000 0.460 1004 G N 1.595 110.515 108.800 0.199 0.000 2.819 1004 G HA2 0.083 4.043 3.960 -0.000 0.000 0.682 1004 G HA3 0.083 4.043 3.960 -0.000 0.000 0.682 1004 G C -1.240 173.792 174.900 0.220 0.000 1.481 1004 G CA -0.243 44.986 45.100 0.214 0.000 0.904 1004 G HN 1.271 nan 8.290 nan 0.000 0.563 1005 V N 2.650 122.677 119.914 0.189 0.000 2.581 1005 V HA 0.777 4.897 4.120 -0.000 0.000 0.303 1005 V C 0.395 176.605 176.094 0.195 0.000 1.041 1005 V CA -0.790 61.640 62.300 0.216 0.000 0.907 1005 V CB 1.354 33.257 31.823 0.134 0.000 0.994 1005 V HN 0.899 nan 8.190 nan 0.000 0.442 1006 H N 4.549 123.624 119.070 0.009 0.000 2.457 1006 H HA 0.624 5.180 4.556 -0.000 0.000 0.335 1006 H C 0.257 175.607 175.328 0.036 0.000 1.115 1006 H CA -0.287 55.773 56.048 0.019 0.000 1.219 1006 H CB 2.141 31.827 29.762 -0.127 0.000 1.471 1006 H HN 0.892 nan 8.280 nan 0.000 0.491 1007 G N 0.935 109.838 108.800 0.172 0.000 2.753 1007 G HA2 0.386 4.346 3.960 -0.000 0.000 0.285 1007 G HA3 0.386 4.346 3.960 -0.000 0.000 0.285 1007 G C -0.592 174.372 174.900 0.106 0.000 1.344 1007 G CA -0.556 44.612 45.100 0.115 0.000 1.050 1007 G HN 0.407 nan 8.290 nan 0.000 0.532 1008 V N 0.472 120.435 119.914 0.082 0.000 2.406 1008 V HA 0.395 4.515 4.120 -0.000 0.000 0.272 1008 V C 0.216 176.353 176.094 0.072 0.000 1.043 1008 V CA -0.297 62.049 62.300 0.077 0.000 0.915 1008 V CB 0.940 32.802 31.823 0.065 0.000 0.988 1008 V HN 0.581 nan 8.190 nan 0.000 0.466 1009 R N 4.459 125.007 120.500 0.079 0.000 2.295 1009 R HA 0.607 4.947 4.340 -0.000 0.000 0.324 1009 R C -0.866 175.467 176.300 0.054 0.000 0.968 1009 R CA -0.342 55.798 56.100 0.067 0.000 0.837 1009 R CB 1.245 31.592 30.300 0.079 0.000 1.133 1009 R HN 0.637 nan 8.270 nan 0.000 0.450 1010 L N 1.876 123.120 121.223 0.036 0.000 2.375 1010 L HA 0.212 4.552 4.340 -0.000 0.000 0.271 1010 L C 0.465 177.338 176.870 0.005 0.000 1.107 1010 L CA -0.550 54.301 54.840 0.019 0.000 0.806 1010 L CB 0.909 42.976 42.059 0.014 0.000 1.146 1010 L HN 0.558 nan 8.230 nan 0.000 0.447 1011 D N 4.281 124.671 120.400 -0.016 0.000 2.533 1011 D HA -0.044 4.596 4.640 -0.000 0.000 0.236 1011 D C -1.365 174.925 176.300 -0.016 0.000 1.137 1011 D CA -0.832 53.152 54.000 -0.027 0.000 0.867 1011 D CB 1.395 42.162 40.800 -0.056 0.000 1.170 1011 D HN 0.355 nan 8.370 nan 0.000 0.474 1012 P HA -0.098 nan 4.420 nan 0.000 0.219 1012 P C 0.630 177.923 177.300 -0.012 0.000 1.150 1012 P CA 0.738 63.833 63.100 -0.009 0.000 0.814 1012 P CB 0.459 32.154 31.700 -0.008 0.000 0.787 1013 N N -0.254 118.436 118.700 -0.015 0.000 2.415 1013 N HA 0.067 4.807 4.740 -0.000 0.000 0.176 1013 N C 1.389 176.890 175.510 -0.014 0.000 1.042 1013 N CA 1.255 54.297 53.050 -0.014 0.000 0.902 1013 N CB 0.007 38.486 38.487 -0.014 0.000 0.986 1013 N HN 0.250 nan 8.380 nan 0.000 0.447 1014 G N 1.367 110.155 108.800 -0.019 0.000 2.725 1014 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.220 1014 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.220 1014 G C -1.100 173.788 174.900 -0.021 0.000 1.357 1014 G CA -0.576 44.513 45.100 -0.019 0.000 0.866 1014 G HN 0.185 nan 8.290 nan 0.000 0.548 1015 D N 1.218 121.606 120.400 -0.019 0.000 2.571 1015 D HA 0.228 4.868 4.640 -0.000 0.000 0.231 1015 D C 1.107 177.400 176.300 -0.012 0.000 1.133 1015 D CA 0.854 54.843 54.000 -0.018 0.000 0.862 1015 D CB 0.360 41.151 40.800 -0.015 0.000 1.179 1015 D HN 0.528 nan 8.370 nan 0.000 0.474 1016 Q N 1.980 121.774 119.800 -0.009 0.000 2.260 1016 Q HA 0.328 4.668 4.340 -0.000 0.000 0.242 1016 Q C -1.819 174.184 176.000 0.005 0.000 0.932 1016 Q CA -1.534 54.270 55.803 0.001 0.000 0.891 1016 Q CB 0.876 29.620 28.738 0.010 0.000 1.222 1016 Q HN 0.341 nan 8.270 nan 0.000 0.453 1017 P HA 0.138 nan 4.420 nan 0.000 0.271 1017 P C -2.350 174.958 177.300 0.014 0.000 1.218 1017 P CA -0.845 62.261 63.100 0.010 0.000 0.780 1017 P CB -0.063 31.644 31.700 0.012 0.000 0.901 1018 P HA 0.056 nan 4.420 nan 0.000 0.280 1018 P C -0.689 176.622 177.300 0.019 0.000 1.278 1018 P CA -0.359 62.749 63.100 0.014 0.000 0.787 1018 P CB 0.226 31.932 31.700 0.010 0.000 1.163 1019 L N 0.000 121.234 121.223 0.019 0.000 2.949 1019 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 1019 L CA 0.000 54.853 54.840 0.021 0.000 0.813 1019 L CB 0.000 42.070 42.059 0.019 0.000 0.961 1019 L HN 0.000 nan 8.230 nan 0.000 0.502