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 3k30_1_B DATA FIRST_RESID 7 DATA SEQUENCE VAAPYDVLFE PVQIGPFTTK NRFYQVPHCN GMGYRDPSAQ ASMRKIKAEG DATA SEQUENCE GWSAVCTEQV EIHATSDIAP FIELRIWDDQ DLPALKRIAD AIHEGGGLAG DATA SEQUENCE IELAHNGMNA PNQLSRETPL GPGHLPVAPD TIAPIQARAM TKQDIDDLRR DATA SEQUENCE WHRNAVRRSI EAGYDIVYVY GAHGYSGVHH FLSKRYNQRT DEYGGSLENR DATA SEQUENCE MRLLRELLED TLDECAGRAA VACRITVEEE IDGGITREDI EGVLRELGEL DATA SEQUENCE PDLWDFAMGS WEGDSVTSRF APEGRQEEFV AGLKKLTTKP VVGVGRFTSP DATA SEQUENCE DAMVRQIKAG ILDLIGAARP SIADPFLPNK IRDGRLNLIR ECIGCNICVS DATA SEQUENCE GDLTMSPIRC TQNPSMGEEW RRGWHPERIR AKESDARVLV VGAGPSGLEA DATA SEQUENCE ARALGVRGYD VVLAEAGRDL GGRVTQESAL PGLSAWGRVK EYREAVLAEL DATA SEQUENCE PNVEIYRESP MTGDDIVEFG FEHVITATGA TWRTDGVARF HTTALPIAEG DATA SEQUENCE MQVLGPDDLF AGRLPDGKKV VVYDDDHYYL GGVVAELLAQ KGYEVSIVTP DATA SEQUENCE GAQVSSWTNN TFEVNRIQRR LIENGVARVT DHAVVAVGAG GVTVRDTYAS DATA SEQUENCE IERELECDAV VMVTARLPRE ELYLDLVARR DAGEIASVRG IGDAWAPGTI DATA SEQUENCE AAAVWSGRRA AEEFDAVLPS NDEVPFRREV TQLA 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.091 176.094 -0.006 0.000 1.182 7 V CA 0.000 62.236 62.300 -0.107 0.000 1.235 7 V CB 0.000 31.696 31.823 -0.212 0.000 1.184 8 A N 2.609 125.451 122.820 0.037 0.000 2.531 8 A HA 0.621 4.943 4.320 0.003 0.000 0.236 8 A C 1.650 179.257 177.584 0.039 0.000 1.062 8 A CA 0.643 52.715 52.037 0.058 0.000 0.760 8 A CB 0.542 19.603 19.000 0.102 0.000 0.995 8 A HN 2.098 nan 8.150 nan 0.000 0.501 9 A N 3.332 126.144 122.820 -0.015 0.000 1.986 9 A HA -0.082 4.240 4.320 0.003 0.000 0.220 9 A C -0.022 177.493 177.584 -0.115 0.000 1.171 9 A CA 2.073 54.083 52.037 -0.044 0.000 0.640 9 A CB -1.565 17.412 19.000 -0.039 0.000 0.811 9 A HN 0.692 nan 8.150 nan 0.000 0.451 10 P HA -0.093 nan 4.420 nan 0.000 0.216 10 P C 0.578 177.673 177.300 -0.342 0.000 1.153 10 P CA 1.045 63.871 63.100 -0.457 0.000 0.844 10 P CB -0.178 30.967 31.700 -0.924 0.000 0.787 11 Y N 0.196 120.558 120.300 0.103 0.000 2.466 11 Y HA 0.005 4.557 4.550 0.004 0.000 0.272 11 Y C 2.010 178.068 175.900 0.264 0.000 1.169 11 Y CA -0.127 58.078 58.100 0.175 0.000 1.285 11 Y CB -1.167 37.424 38.460 0.218 0.000 1.078 11 Y HN 0.109 nan 8.280 nan 0.000 0.523 12 D N -0.202 120.353 120.400 0.258 0.000 2.182 12 D HA -0.169 4.473 4.640 0.003 0.000 0.201 12 D C 2.122 178.577 176.300 0.258 0.000 0.986 12 D CA 1.103 55.257 54.000 0.257 0.000 0.847 12 D CB -0.527 40.345 40.800 0.120 0.000 0.942 12 D HN 0.291 nan 8.370 nan 0.000 0.467 13 V N 0.946 120.955 119.914 0.158 0.000 2.490 13 V HA -0.195 3.927 4.120 0.003 0.000 0.250 13 V C 2.480 178.598 176.094 0.039 0.000 1.061 13 V CA 1.084 63.433 62.300 0.082 0.000 1.064 13 V CB -0.421 31.420 31.823 0.030 0.000 0.670 13 V HN 0.240 nan 8.190 nan 0.000 0.461 14 L N -1.254 119.994 121.223 0.040 0.000 2.551 14 L HA 0.008 4.350 4.340 0.003 0.000 0.228 14 L C 1.164 177.784 176.870 -0.417 0.000 1.153 14 L CA 0.896 55.595 54.840 -0.235 0.000 0.851 14 L CB -0.406 41.487 42.059 -0.277 0.000 0.959 14 L HN 0.314 nan 8.230 nan 0.000 0.451 15 F N -0.274 119.739 119.950 0.104 0.000 2.772 15 F HA 0.238 4.767 4.527 0.003 0.000 0.302 15 F C 0.744 176.584 175.800 0.067 0.000 1.136 15 F CA -0.550 57.514 58.000 0.106 0.000 1.322 15 F CB 0.048 39.108 39.000 0.100 0.000 0.967 15 F HN -0.023 nan 8.300 nan 0.000 0.513 16 E N 2.803 123.071 120.200 0.112 0.000 2.266 16 E HA 0.225 4.577 4.350 0.003 0.000 0.277 16 E C -2.280 174.357 176.600 0.061 0.000 1.018 16 E CA -2.204 54.246 56.400 0.083 0.000 0.840 16 E CB 0.779 30.508 29.700 0.049 0.000 1.082 16 E HN -0.081 nan 8.360 nan 0.000 0.395 17 P HA 0.019 nan 4.420 nan 0.000 0.271 17 P C -0.764 176.568 177.300 0.053 0.000 1.216 17 P CA -0.030 63.109 63.100 0.065 0.000 0.771 17 P CB 0.710 32.449 31.700 0.064 0.000 0.864 18 V N 3.439 123.390 119.914 0.062 0.000 2.483 18 V HA 0.237 4.359 4.120 0.003 0.000 0.297 18 V C 0.195 176.334 176.094 0.075 0.000 1.027 18 V CA -0.704 61.632 62.300 0.059 0.000 0.855 18 V CB 1.543 33.400 31.823 0.056 0.000 0.995 18 V HN 0.422 nan 8.190 nan 0.000 0.424 19 Q N 4.194 124.030 119.800 0.059 0.000 2.286 19 Q HA 0.519 4.861 4.340 0.003 0.000 0.257 19 Q C -0.844 175.195 176.000 0.064 0.000 0.941 19 Q CA 0.282 56.120 55.803 0.058 0.000 0.912 19 Q CB 0.849 29.605 28.738 0.031 0.000 1.192 19 Q HN 0.702 nan 8.270 nan 0.000 0.410 20 I N 4.890 125.514 120.570 0.091 0.000 2.563 20 I HA 0.383 4.555 4.170 0.003 0.000 0.276 20 I C 0.851 177.022 176.117 0.090 0.000 1.074 20 I CA -0.510 60.849 61.300 0.097 0.000 1.124 20 I CB 0.585 38.680 38.000 0.158 0.000 1.225 20 I HN 0.897 nan 8.210 nan 0.000 0.482 21 G N 8.010 116.822 108.800 0.019 0.000 2.627 21 G HA2 -0.264 3.698 3.960 0.003 0.000 0.312 21 G HA3 -0.264 3.698 3.960 0.003 0.000 0.312 21 G C -1.419 173.416 174.900 -0.108 0.000 1.299 21 G CA 0.213 45.294 45.100 -0.032 0.000 0.989 21 G HN 0.485 nan 8.290 nan 0.000 0.547 22 P HA 0.065 nan 4.420 nan 0.000 0.227 22 P C 0.220 177.086 177.300 -0.723 0.000 1.145 22 P CA 1.236 63.988 63.100 -0.580 0.000 0.769 22 P CB -0.161 30.991 31.700 -0.913 0.000 0.769 23 F N -1.096 118.859 119.950 0.009 0.000 2.593 23 F HA 0.466 4.995 4.527 0.004 0.000 0.320 23 F C 0.646 176.460 175.800 0.024 0.000 1.060 23 F CA -0.662 57.347 58.000 0.015 0.000 0.940 23 F CB 1.313 40.326 39.000 0.021 0.000 1.268 23 F HN -0.495 nan 8.300 nan 0.000 0.475 24 T N -0.275 114.418 114.554 0.232 0.000 2.861 24 T HA 0.497 4.849 4.350 0.003 0.000 0.287 24 T C -0.325 174.457 174.700 0.135 0.000 1.003 24 T CA -0.977 61.208 62.100 0.142 0.000 0.977 24 T CB 1.451 70.377 68.868 0.096 0.000 0.996 24 T HN 0.698 nan 8.240 nan 0.000 0.448 25 T N 0.274 114.899 114.554 0.117 0.000 2.904 25 T HA 0.392 4.744 4.350 0.003 0.000 0.290 25 T C 1.144 175.901 174.700 0.095 0.000 1.018 25 T CA -0.777 61.387 62.100 0.106 0.000 1.075 25 T CB 1.273 70.211 68.868 0.117 0.000 0.986 25 T HN 0.466 nan 8.240 nan 0.000 0.523 26 K N 1.461 121.916 120.400 0.092 0.000 2.097 26 K HA 0.026 4.348 4.320 0.003 0.000 0.205 26 K C 0.784 177.456 176.600 0.120 0.000 1.050 26 K CA 1.423 57.770 56.287 0.099 0.000 0.938 26 K CB -0.066 32.489 32.500 0.091 0.000 0.718 26 K HN 0.860 nan 8.250 nan 0.000 0.442 27 N N -1.988 116.775 118.700 0.105 0.000 3.506 27 N HA 0.185 4.927 4.740 0.003 0.000 0.331 27 N C -0.423 175.095 175.510 0.014 0.000 1.631 27 N CA -0.875 52.210 53.050 0.059 0.000 0.786 27 N CB 0.446 38.956 38.487 0.037 0.000 2.023 27 N HN -0.274 nan 8.380 nan 0.000 0.621 28 R N -1.330 119.091 120.500 -0.132 0.000 2.432 28 R HA 0.351 4.693 4.340 0.003 0.000 0.260 28 R C -0.509 175.654 176.300 -0.227 0.000 0.935 28 R CA -0.236 55.752 56.100 -0.187 0.000 1.080 28 R CB -0.227 29.876 30.300 -0.329 0.000 1.155 28 R HN 0.293 nan 8.270 nan 0.000 0.531 29 F N 0.921 120.819 119.950 -0.088 0.000 2.438 29 F HA 0.162 4.691 4.527 0.003 0.000 0.360 29 F C -0.021 176.007 175.800 0.381 0.000 1.118 29 F CA -0.511 57.479 58.000 -0.016 0.000 1.164 29 F CB 0.357 39.019 39.000 -0.563 0.000 1.131 29 F HN -0.048 nan 8.300 nan 0.000 0.527 30 Y N 4.040 124.667 120.300 0.546 0.000 2.350 30 Y HA 0.270 4.823 4.550 0.004 0.000 0.338 30 Y C -0.497 175.648 175.900 0.408 0.000 0.961 30 Y CA -1.034 57.323 58.100 0.429 0.000 1.100 30 Y CB 1.162 39.761 38.460 0.232 0.000 1.179 30 Y HN 0.451 nan 8.280 nan 0.000 0.454 31 Q N 7.164 127.124 119.800 0.267 0.000 2.390 31 Q HA 0.380 4.722 4.340 0.003 0.000 0.249 31 Q C -0.671 175.400 176.000 0.119 0.000 0.996 31 Q CA -0.514 55.275 55.803 -0.023 0.000 0.899 31 Q CB 0.658 29.214 28.738 -0.303 0.000 1.216 31 Q HN 0.748 nan 8.270 nan 0.000 0.465 32 V N 2.711 122.781 119.914 0.259 0.000 3.185 32 V HA 0.418 4.540 4.120 0.003 0.000 0.305 32 V C -2.327 173.797 176.094 0.050 0.000 1.090 32 V CA -1.703 60.758 62.300 0.267 0.000 1.107 32 V CB -0.132 31.825 31.823 0.222 0.000 1.061 32 V HN 0.632 nan 8.190 nan 0.000 0.480 33 P HA 0.246 nan 4.420 nan 0.000 0.264 33 P C -1.060 176.136 177.300 -0.174 0.000 1.193 33 P CA 0.866 63.819 63.100 -0.245 0.000 0.763 33 P CB -0.136 31.295 31.700 -0.449 0.000 0.810 34 H N 0.817 119.755 119.070 -0.220 0.000 3.029 34 H HA 0.466 5.024 4.556 0.003 0.000 0.358 34 H C -0.323 174.893 175.328 -0.188 0.000 1.129 34 H CA -1.182 54.738 56.048 -0.213 0.000 1.230 34 H CB -0.219 29.460 29.762 -0.137 0.000 1.827 34 H HN 0.495 nan 8.280 nan 0.000 0.530 35 C N 2.708 121.978 119.300 -0.050 0.000 2.767 35 C HA 0.409 4.871 4.460 0.003 0.000 0.353 35 C C 0.908 175.963 174.990 0.107 0.000 1.376 35 C CA 0.387 59.386 59.018 -0.032 0.000 2.284 35 C CB -0.361 27.356 27.740 -0.038 0.000 2.535 35 C HN 1.153 nan 8.230 nan 0.000 0.745 36 N N -2.403 116.322 118.700 0.042 0.000 1.899 36 N HA 0.261 5.003 4.740 0.003 0.000 0.223 36 N C 0.880 176.396 175.510 0.010 0.000 1.411 36 N CA 0.648 53.729 53.050 0.051 0.000 0.737 36 N CB -0.492 38.005 38.487 0.016 0.000 1.100 36 N HN 1.923 nan 8.380 nan 0.000 0.527 37 G N 0.720 109.517 108.800 -0.003 0.000 2.166 37 G HA2 -0.320 3.642 3.960 0.003 0.000 0.260 37 G HA3 -0.320 3.642 3.960 0.003 0.000 0.260 37 G C 0.083 174.928 174.900 -0.092 0.000 0.986 37 G CA 0.976 46.056 45.100 -0.034 0.000 0.683 37 G HN 0.406 nan 8.290 nan 0.000 0.527 38 M N 0.793 120.327 119.600 -0.110 0.000 3.075 38 M HA 0.434 4.916 4.480 0.003 0.000 0.340 38 M C 1.560 177.750 176.300 -0.183 0.000 1.329 38 M CA 0.048 55.262 55.300 -0.143 0.000 0.778 38 M CB 0.886 33.420 32.600 -0.110 0.000 1.389 38 M HN 0.173 nan 8.290 nan 0.000 0.499 39 G N 1.061 109.715 108.800 -0.243 0.000 2.622 39 G HA2 -0.159 3.803 3.960 0.003 0.000 0.156 39 G HA3 -0.159 3.803 3.960 0.003 0.000 0.156 39 G C 0.711 175.478 174.900 -0.222 0.000 1.775 39 G CA 0.533 45.490 45.100 -0.239 0.000 0.928 39 G HN 0.702 nan 8.290 nan 0.000 0.384 40 Y N -0.047 120.164 120.300 -0.148 0.000 2.639 40 Y HA 0.163 4.715 4.550 0.002 0.000 0.297 40 Y C 2.488 178.302 175.900 -0.143 0.000 1.151 40 Y CA 1.106 59.103 58.100 -0.171 0.000 1.335 40 Y CB -0.395 37.926 38.460 -0.231 0.000 0.994 40 Y HN 0.269 nan 8.280 nan 0.000 0.548 41 R N 0.419 120.714 120.500 -0.342 0.000 2.090 41 R HA 0.011 4.353 4.340 0.003 0.000 0.219 41 R C -0.234 175.984 176.300 -0.138 0.000 1.100 41 R CA 1.268 57.236 56.100 -0.219 0.000 0.991 41 R CB 0.277 30.373 30.300 -0.339 0.000 0.893 41 R HN 0.215 nan 8.270 nan 0.000 0.443 42 D N -0.098 120.199 120.400 -0.172 0.000 2.613 42 D HA 0.163 4.805 4.640 0.003 0.000 0.312 42 D C -2.159 174.000 176.300 -0.234 0.000 1.202 42 D CA -1.397 52.497 54.000 -0.177 0.000 0.825 42 D CB 1.731 42.456 40.800 -0.124 0.000 1.113 42 D HN 0.097 nan 8.370 nan 0.000 0.502 43 P HA -0.081 nan 4.420 nan 0.000 0.217 43 P C 1.512 178.612 177.300 -0.334 0.000 1.150 43 P CA 0.872 63.831 63.100 -0.234 0.000 0.832 43 P CB 0.503 32.092 31.700 -0.185 0.000 0.787 44 S N -0.340 115.023 115.700 -0.561 0.000 2.383 44 S HA -0.081 4.391 4.470 0.003 0.000 0.227 44 S C 2.065 176.229 174.600 -0.727 0.000 1.026 44 S CA 1.221 58.915 58.200 -0.843 0.000 0.981 44 S CB -1.002 61.231 63.200 -1.612 0.000 0.818 44 S HN 0.150 nan 8.310 nan 0.000 0.472 45 A N 1.248 123.747 122.820 -0.535 0.000 1.902 45 A HA -0.178 4.144 4.320 0.003 0.000 0.217 45 A C 2.097 179.633 177.584 -0.079 0.000 1.181 45 A CA 1.586 53.555 52.037 -0.113 0.000 0.623 45 A CB -0.633 18.365 19.000 -0.003 0.000 0.818 45 A HN 0.532 nan 8.150 nan 0.000 0.443 46 Q N -0.700 119.016 119.800 -0.139 0.000 2.079 46 Q HA -0.091 4.251 4.340 0.003 0.000 0.200 46 Q C 2.260 178.203 176.000 -0.094 0.000 0.974 46 Q CA 1.320 57.060 55.803 -0.105 0.000 0.840 46 Q CB -0.329 28.335 28.738 -0.124 0.000 0.898 46 Q HN 0.616 nan 8.270 nan 0.000 0.430 47 A N 0.265 123.007 122.820 -0.130 0.000 1.873 47 A HA -0.231 4.091 4.320 0.003 0.000 0.218 47 A C 2.268 179.830 177.584 -0.037 0.000 1.193 47 A CA 2.076 54.052 52.037 -0.102 0.000 0.629 47 A CB -0.909 18.012 19.000 -0.132 0.000 0.826 47 A HN 0.431 nan 8.150 nan 0.000 0.447 48 S N -0.871 114.833 115.700 0.007 0.000 2.370 48 S HA -0.186 4.286 4.470 0.003 0.000 0.226 48 S C 2.028 176.676 174.600 0.080 0.000 1.033 48 S CA 1.600 59.861 58.200 0.101 0.000 1.011 48 S CB -0.358 62.976 63.200 0.223 0.000 0.852 48 S HN 0.591 nan 8.310 nan 0.000 0.457 49 M N 1.296 120.926 119.600 0.050 0.000 2.132 49 M HA -0.064 4.418 4.480 0.003 0.000 0.263 49 M C 1.848 178.159 176.300 0.018 0.000 1.065 49 M CA 1.451 56.776 55.300 0.041 0.000 1.122 49 M CB -0.496 32.121 32.600 0.028 0.000 1.365 49 M HN 0.164 nan 8.290 nan 0.000 0.411 50 R N 0.234 120.723 120.500 -0.019 0.000 2.090 50 R HA -0.117 4.225 4.340 0.003 0.000 0.228 50 R C 2.162 178.451 176.300 -0.019 0.000 1.110 50 R CA 1.187 57.260 56.100 -0.044 0.000 0.973 50 R CB -0.850 29.397 30.300 -0.088 0.000 0.869 50 R HN 0.482 nan 8.270 nan 0.000 0.440 51 K N 1.039 121.439 120.400 -0.001 0.000 2.063 51 K HA -0.100 4.222 4.320 0.003 0.000 0.208 51 K C 2.062 178.707 176.600 0.075 0.000 1.048 51 K CA 1.170 57.475 56.287 0.029 0.000 0.928 51 K CB 0.007 32.535 32.500 0.048 0.000 0.713 51 K HN 0.019 nan 8.250 nan 0.000 0.442 52 I N 1.414 122.046 120.570 0.104 0.000 2.226 52 I HA -0.264 3.908 4.170 0.003 0.000 0.245 52 I C 2.083 178.271 176.117 0.119 0.000 1.100 52 I CA 1.447 62.845 61.300 0.164 0.000 1.374 52 I CB -0.670 37.401 38.000 0.119 0.000 1.057 52 I HN 0.267 nan 8.210 nan 0.000 0.413 53 K N 1.063 121.515 120.400 0.086 0.000 2.026 53 K HA -0.137 4.184 4.320 0.003 0.000 0.208 53 K C 2.297 178.983 176.600 0.144 0.000 1.048 53 K CA 1.567 57.924 56.287 0.117 0.000 0.929 53 K CB -0.214 32.296 32.500 0.016 0.000 0.713 53 K HN 0.277 nan 8.250 nan 0.000 0.439 54 A N 1.776 124.636 122.820 0.067 0.000 1.883 54 A HA -0.235 4.087 4.320 0.003 0.000 0.217 54 A C 1.905 179.472 177.584 -0.028 0.000 1.186 54 A CA 1.691 53.751 52.037 0.038 0.000 0.624 54 A CB -0.482 18.526 19.000 0.014 0.000 0.822 54 A HN 0.323 nan 8.150 nan 0.000 0.444 55 E N -0.950 119.225 120.200 -0.042 0.000 2.265 55 E HA -0.086 4.266 4.350 0.003 0.000 0.196 55 E C 1.865 178.167 176.600 -0.496 0.000 0.996 55 E CA 0.562 56.901 56.400 -0.103 0.000 0.832 55 E CB -0.261 29.501 29.700 0.104 0.000 0.756 55 E HN 0.635 nan 8.360 nan 0.000 0.491 56 G N -0.451 107.917 108.800 -0.719 0.000 2.744 56 G HA2 0.067 4.029 3.960 0.003 0.000 0.211 56 G HA3 0.067 4.029 3.960 0.003 0.000 0.211 56 G C 1.036 175.535 174.900 -0.669 0.000 1.143 56 G CA 0.395 44.718 45.100 -1.295 0.000 0.788 56 G HN 0.407 nan 8.290 nan 0.000 0.534 57 G N -1.848 106.715 108.800 -0.394 0.000 2.184 57 G HA2 -0.204 3.758 3.960 0.003 0.000 0.206 57 G HA3 -0.204 3.758 3.960 0.003 0.000 0.206 57 G C 0.029 174.724 174.900 -0.341 0.000 0.995 57 G CA -0.435 44.462 45.100 -0.339 0.000 0.651 57 G HN 0.260 nan 8.290 nan 0.000 0.511 58 W N 1.858 123.089 121.300 -0.114 0.000 2.446 58 W HA 0.566 5.228 4.660 0.003 0.000 0.316 58 W C 1.424 177.934 176.519 -0.015 0.000 1.376 58 W CA 0.286 57.623 57.345 -0.012 0.000 1.300 58 W CB 1.007 30.461 29.460 -0.011 0.000 1.351 58 W HN 0.061 nan 8.180 nan 0.000 0.530 59 S N 2.596 118.410 115.700 0.189 0.000 2.383 59 S HA 0.008 4.480 4.470 0.003 0.000 0.227 59 S C 0.795 175.412 174.600 0.027 0.000 1.026 59 S CA 0.993 59.254 58.200 0.102 0.000 0.981 59 S CB -0.053 63.216 63.200 0.115 0.000 0.818 59 S HN 0.476 nan 8.310 nan 0.000 0.472 60 A N 1.179 123.968 122.820 -0.051 0.000 2.331 60 A HA 0.684 5.006 4.320 0.003 0.000 0.320 60 A C -0.830 176.618 177.584 -0.228 0.000 1.138 60 A CA -0.482 51.396 52.037 -0.264 0.000 0.790 60 A CB 1.266 19.854 19.000 -0.688 0.000 1.206 60 A HN 0.098 nan 8.150 nan 0.000 0.470 61 V N 1.409 121.225 119.914 -0.163 0.000 2.540 61 V HA 0.453 4.575 4.120 0.003 0.000 0.302 61 V C -0.348 175.665 176.094 -0.136 0.000 1.035 61 V CA -0.538 61.681 62.300 -0.134 0.000 0.873 61 V CB 1.382 33.151 31.823 -0.090 0.000 0.992 61 V HN 1.032 nan 8.190 nan 0.000 0.428 62 C N 2.865 122.079 119.300 -0.144 0.000 2.493 62 C HA 0.732 5.194 4.460 0.003 0.000 0.326 62 C C 0.984 175.863 174.990 -0.184 0.000 1.200 62 C CA -0.584 58.373 59.018 -0.102 0.000 1.739 62 C CB 1.749 29.451 27.740 -0.062 0.000 2.300 62 C HN 1.030 nan 8.230 nan 0.000 0.500 63 T N 0.174 114.643 114.554 -0.141 0.000 2.726 63 T HA 0.305 4.657 4.350 0.003 0.000 0.294 63 T C 0.325 174.853 174.700 -0.287 0.000 1.013 63 T CA -0.189 61.791 62.100 -0.199 0.000 0.996 63 T CB 0.492 69.266 68.868 -0.156 0.000 1.016 63 T HN 0.807 nan 8.240 nan 0.000 0.529 64 E N 0.791 120.818 120.200 -0.289 0.000 2.605 64 E HA 0.073 4.425 4.350 0.003 0.000 0.255 64 E C 0.062 176.476 176.600 -0.311 0.000 1.369 64 E CA -0.687 55.528 56.400 -0.309 0.000 1.017 64 E CB 0.151 29.702 29.700 -0.249 0.000 1.086 64 E HN 0.864 nan 8.360 nan 0.000 0.605 65 Q N -0.470 119.119 119.800 -0.351 0.000 2.361 65 Q HA 0.310 4.652 4.340 0.003 0.000 0.276 65 Q C -0.607 175.275 176.000 -0.195 0.000 1.022 65 Q CA -0.442 55.158 55.803 -0.337 0.000 0.898 65 Q CB 0.727 29.241 28.738 -0.374 0.000 1.246 65 Q HN 0.270 nan 8.270 nan 0.000 0.410 66 V N 2.588 122.412 119.914 -0.150 0.000 2.378 66 V HA 0.204 4.326 4.120 0.003 0.000 0.288 66 V C -0.234 175.857 176.094 -0.005 0.000 1.016 66 V CA -0.803 61.441 62.300 -0.093 0.000 0.840 66 V CB 1.157 32.902 31.823 -0.130 0.000 0.994 66 V HN 0.856 nan 8.190 nan 0.000 0.431 67 E N 3.266 123.494 120.200 0.046 0.000 2.415 67 E HA 0.100 4.452 4.350 0.003 0.000 0.263 67 E C 0.878 177.634 176.600 0.260 0.000 0.995 67 E CA 0.015 56.520 56.400 0.174 0.000 0.915 67 E CB 1.013 30.905 29.700 0.320 0.000 0.951 67 E HN 0.792 nan 8.360 nan 0.000 0.449 68 I N -0.212 120.509 120.570 0.251 0.000 3.883 68 I HA 0.212 4.384 4.170 0.003 0.000 0.326 68 I C 0.560 176.842 176.117 0.276 0.000 1.283 68 I CA 0.325 61.777 61.300 0.253 0.000 1.161 68 I CB 0.187 38.311 38.000 0.206 0.000 1.012 68 I HN 0.367 nan 8.210 nan 0.000 0.421 69 H N 0.270 119.330 119.070 -0.016 0.000 3.060 69 H HA 0.411 4.969 4.556 0.004 0.000 0.330 69 H C -0.106 174.557 175.328 -1.109 0.000 1.305 69 H CA 0.016 55.701 56.048 -0.604 0.000 1.209 69 H CB 2.196 31.660 29.762 -0.496 0.000 1.913 69 H HN -0.064 nan 8.280 nan 0.000 0.534 70 A N 1.560 123.247 122.820 -1.889 0.000 2.168 70 A HA -0.082 4.240 4.320 0.003 0.000 0.215 70 A C 1.766 178.978 177.584 -0.621 0.000 1.152 70 A CA 1.575 52.624 52.037 -1.647 0.000 0.716 70 A CB -0.694 17.337 19.000 -1.615 0.000 0.794 70 A HN 0.681 nan 8.150 nan 0.000 0.465 71 T N -3.569 110.842 114.554 -0.240 0.000 3.160 71 T HA 0.089 4.441 4.350 0.003 0.000 0.257 71 T C 1.040 175.691 174.700 -0.083 0.000 1.147 71 T CA 1.069 63.159 62.100 -0.016 0.000 1.064 71 T CB -0.113 68.875 68.868 0.200 0.000 0.949 71 T HN 0.245 nan 8.240 nan 0.000 0.526 72 S N 1.544 117.104 115.700 -0.233 0.000 2.525 72 S HA 0.258 4.730 4.470 0.003 0.000 0.242 72 S C -0.525 174.057 174.600 -0.030 0.000 1.164 72 S CA -0.767 57.250 58.200 -0.304 0.000 1.154 72 S CB -0.577 62.275 63.200 -0.581 0.000 0.875 72 S HN 0.534 nan 8.310 nan 0.000 0.482 73 D N 1.868 122.282 120.400 0.024 0.000 2.339 73 D HA 0.177 4.819 4.640 0.003 0.000 0.241 73 D C 0.939 177.308 176.300 0.114 0.000 1.183 73 D CA -0.454 53.634 54.000 0.145 0.000 0.859 73 D CB 0.409 41.297 40.800 0.148 0.000 1.067 73 D HN 0.546 nan 8.370 nan 0.000 0.484 74 I N 1.270 121.926 120.570 0.142 0.000 3.891 74 I HA 0.472 4.644 4.170 0.003 0.000 0.331 74 I C 0.744 176.991 176.117 0.217 0.000 1.406 74 I CA -0.886 60.511 61.300 0.161 0.000 1.139 74 I CB -0.013 38.064 38.000 0.128 0.000 1.056 74 I HN 0.277 nan 8.210 nan 0.000 0.399 75 A N 3.287 126.200 122.820 0.154 0.000 2.609 75 A HA 0.119 4.441 4.320 0.003 0.000 0.232 75 A C -1.055 176.523 177.584 -0.011 0.000 1.041 75 A CA -0.384 51.704 52.037 0.085 0.000 0.753 75 A CB -0.406 18.640 19.000 0.077 0.000 0.966 75 A HN 0.401 nan 8.150 nan 0.000 0.510 76 P HA 0.046 nan 4.420 nan 0.000 0.241 76 P C -0.020 177.165 177.300 -0.191 0.000 1.191 76 P CA 0.181 63.164 63.100 -0.196 0.000 0.771 76 P CB -0.033 31.489 31.700 -0.296 0.000 0.929 77 F N 0.838 120.796 119.950 0.012 0.000 2.602 77 F HA 0.048 4.576 4.527 0.003 0.000 0.367 77 F C 1.456 177.257 175.800 0.002 0.000 1.126 77 F CA 0.245 58.249 58.000 0.006 0.000 1.321 77 F CB -0.012 38.997 39.000 0.016 0.000 1.094 77 F HN -0.191 nan 8.300 nan 0.000 0.594 78 I N 3.829 124.481 120.570 0.136 0.000 2.555 78 I HA 0.236 4.408 4.170 0.003 0.000 0.275 78 I C -0.402 175.648 176.117 -0.111 0.000 1.082 78 I CA -0.112 61.136 61.300 -0.088 0.000 1.167 78 I CB -0.144 37.669 38.000 -0.313 0.000 1.312 78 I HN 0.527 nan 8.210 nan 0.000 0.493 79 E N 5.448 125.645 120.200 -0.004 0.000 3.029 79 E HA 0.498 4.850 4.350 0.003 0.000 0.249 79 E C -0.474 176.119 176.600 -0.010 0.000 1.089 79 E CA -0.788 55.592 56.400 -0.034 0.000 1.089 79 E CB 1.015 30.704 29.700 -0.019 0.000 1.428 79 E HN 0.399 nan 8.360 nan 0.000 0.555 80 L N 0.165 121.361 121.223 -0.046 0.000 2.448 80 L HA 0.453 4.795 4.340 0.003 0.000 0.258 80 L C 0.533 177.356 176.870 -0.077 0.000 1.104 80 L CA -0.448 54.366 54.840 -0.042 0.000 0.800 80 L CB 0.600 42.603 42.059 -0.094 0.000 1.241 80 L HN 0.184 nan 8.230 nan 0.000 0.472 81 R N 0.333 120.734 120.500 -0.166 0.000 2.808 81 R HA 0.572 4.914 4.340 0.003 0.000 0.272 81 R C -0.744 175.438 176.300 -0.197 0.000 0.995 81 R CA -0.680 55.234 56.100 -0.309 0.000 0.917 81 R CB 2.282 32.085 30.300 -0.828 0.000 1.217 81 R HN 0.527 nan 8.270 nan 0.000 0.471 82 I N 1.256 121.786 120.570 -0.067 0.000 2.891 82 I HA 0.104 4.276 4.170 0.003 0.000 0.327 82 I C -0.241 175.972 176.117 0.159 0.000 1.479 82 I CA -0.164 61.142 61.300 0.011 0.000 0.856 82 I CB 0.430 38.422 38.000 -0.014 0.000 1.750 82 I HN 0.706 nan 8.210 nan 0.000 0.575 83 W N 2.204 123.437 121.300 -0.110 0.000 2.342 83 W HA -0.087 4.576 4.660 0.004 0.000 0.297 83 W C 1.020 177.463 176.519 -0.127 0.000 1.213 83 W CA 1.054 58.305 57.345 -0.157 0.000 1.251 83 W CB -0.492 28.838 29.460 -0.215 0.000 1.136 83 W HN 0.521 nan 8.180 nan 0.000 0.526 84 D N -3.806 116.676 120.400 0.136 0.000 2.879 84 D HA -0.057 4.585 4.640 0.003 0.000 0.346 84 D C -0.208 176.110 176.300 0.031 0.000 1.390 84 D CA -0.379 53.660 54.000 0.064 0.000 0.838 84 D CB -0.003 40.826 40.800 0.048 0.000 1.416 84 D HN -0.213 nan 8.370 nan 0.000 0.493 85 D N -0.581 119.832 120.400 0.021 0.000 2.348 85 D HA -0.026 4.616 4.640 0.003 0.000 0.216 85 D C 1.458 177.756 176.300 -0.003 0.000 0.970 85 D CA 0.798 54.805 54.000 0.012 0.000 0.889 85 D CB 0.036 40.845 40.800 0.016 0.000 0.912 85 D HN 0.334 nan 8.370 nan 0.000 0.524 86 Q N 0.174 119.966 119.800 -0.013 0.000 2.297 86 Q HA -0.097 4.245 4.340 0.003 0.000 0.204 86 Q C 0.788 176.758 176.000 -0.050 0.000 0.962 86 Q CA 0.747 56.532 55.803 -0.031 0.000 0.879 86 Q CB 0.244 28.958 28.738 -0.040 0.000 0.947 86 Q HN 0.354 nan 8.270 nan 0.000 0.462 87 D N 0.168 120.533 120.400 -0.059 0.000 2.347 87 D HA -0.025 4.617 4.640 0.003 0.000 0.213 87 D C 1.689 177.965 176.300 -0.040 0.000 0.985 87 D CA 0.367 54.320 54.000 -0.078 0.000 0.879 87 D CB 0.314 41.045 40.800 -0.115 0.000 0.919 87 D HN 0.262 nan 8.370 nan 0.000 0.526 88 L N 0.835 122.048 121.223 -0.017 0.000 2.044 88 L HA -0.078 4.264 4.340 0.003 0.000 0.205 88 L C -0.467 176.404 176.870 0.003 0.000 1.075 88 L CA 1.195 56.039 54.840 0.007 0.000 0.747 88 L CB -1.374 40.694 42.059 0.015 0.000 0.903 88 L HN -0.021 nan 8.230 nan 0.000 0.435 89 P HA -0.220 nan 4.420 nan 0.000 0.216 89 P C 1.399 178.681 177.300 -0.030 0.000 1.157 89 P CA 1.995 65.084 63.100 -0.019 0.000 0.880 89 P CB -0.009 31.677 31.700 -0.024 0.000 0.791 90 A N -1.005 121.792 122.820 -0.039 0.000 1.898 90 A HA -0.130 4.192 4.320 0.003 0.000 0.216 90 A C 2.207 179.773 177.584 -0.030 0.000 1.181 90 A CA 1.384 53.389 52.037 -0.054 0.000 0.620 90 A CB -1.595 17.366 19.000 -0.064 0.000 0.819 90 A HN 0.116 nan 8.150 nan 0.000 0.442 91 L N -0.880 120.348 121.223 0.008 0.000 2.141 91 L HA -0.109 4.233 4.340 0.003 0.000 0.209 91 L C 2.527 179.459 176.870 0.104 0.000 1.094 91 L CA 1.609 56.506 54.840 0.095 0.000 0.763 91 L CB -0.313 41.821 42.059 0.124 0.000 0.908 91 L HN 0.375 nan 8.230 nan 0.000 0.437 92 K N 0.383 120.805 120.400 0.036 0.000 2.148 92 K HA -0.200 4.122 4.320 0.003 0.000 0.204 92 K C 2.330 178.884 176.600 -0.075 0.000 1.050 92 K CA 1.056 57.332 56.287 -0.020 0.000 0.942 92 K CB 0.059 32.556 32.500 -0.005 0.000 0.724 92 K HN 0.110 nan 8.250 nan 0.000 0.446 93 R N 0.607 121.068 120.500 -0.065 0.000 2.092 93 R HA -0.058 4.284 4.340 0.003 0.000 0.231 93 R C 2.052 178.283 176.300 -0.115 0.000 1.119 93 R CA 1.245 57.295 56.100 -0.084 0.000 0.970 93 R CB -0.187 30.060 30.300 -0.089 0.000 0.864 93 R HN 0.163 nan 8.270 nan 0.000 0.440 94 I N 0.881 121.387 120.570 -0.107 0.000 2.179 94 I HA -0.241 3.931 4.170 0.003 0.000 0.242 94 I C 2.546 178.519 176.117 -0.241 0.000 1.088 94 I CA 1.450 62.677 61.300 -0.122 0.000 1.357 94 I CB -0.349 37.628 38.000 -0.039 0.000 1.051 94 I HN 0.305 nan 8.210 nan 0.000 0.409 95 A N 0.294 122.870 122.820 -0.407 0.000 1.930 95 A HA -0.210 4.112 4.320 0.003 0.000 0.217 95 A C 1.914 179.138 177.584 -0.600 0.000 1.175 95 A CA 1.881 53.462 52.037 -0.761 0.000 0.627 95 A CB -0.539 17.688 19.000 -1.288 0.000 0.815 95 A HN 0.342 nan 8.150 nan 0.000 0.443 96 D N 0.316 120.541 120.400 -0.290 0.000 2.144 96 D HA -0.056 4.586 4.640 0.003 0.000 0.199 96 D C 2.187 178.420 176.300 -0.112 0.000 0.984 96 D CA 1.446 55.374 54.000 -0.119 0.000 0.834 96 D CB -0.434 40.336 40.800 -0.049 0.000 0.955 96 D HN 0.430 nan 8.370 nan 0.000 0.465 97 A N 0.654 123.393 122.820 -0.136 0.000 1.902 97 A HA -0.141 4.181 4.320 0.003 0.000 0.217 97 A C 2.351 179.879 177.584 -0.094 0.000 1.181 97 A CA 0.916 52.904 52.037 -0.083 0.000 0.623 97 A CB -0.696 18.260 19.000 -0.073 0.000 0.818 97 A HN 0.200 nan 8.150 nan 0.000 0.443 98 I N -1.250 119.202 120.570 -0.198 0.000 2.252 98 I HA -0.265 3.907 4.170 0.003 0.000 0.245 98 I C 2.376 178.419 176.117 -0.123 0.000 1.102 98 I CA 1.561 62.746 61.300 -0.193 0.000 1.385 98 I CB -0.527 37.288 38.000 -0.309 0.000 1.064 98 I HN 0.463 nan 8.210 nan 0.000 0.414 99 H N 0.296 119.306 119.070 -0.101 0.000 2.321 99 H HA -0.152 4.406 4.556 0.003 0.000 0.300 99 H C 2.088 177.389 175.328 -0.045 0.000 1.087 99 H CA 1.216 57.212 56.048 -0.085 0.000 1.319 99 H CB 0.036 29.736 29.762 -0.103 0.000 1.379 99 H HN 0.315 nan 8.280 nan 0.000 0.501 100 E N 0.016 120.271 120.200 0.092 0.000 2.209 100 E HA -0.137 4.215 4.350 0.003 0.000 0.196 100 E C 2.316 178.949 176.600 0.055 0.000 0.993 100 E CA 0.743 57.179 56.400 0.060 0.000 0.819 100 E CB -0.042 29.685 29.700 0.045 0.000 0.745 100 E HN 0.556 nan 8.360 nan 0.000 0.477 101 G N -0.491 108.335 108.800 0.044 0.000 2.623 101 G HA2 0.080 4.042 3.960 0.003 0.000 0.214 101 G HA3 0.080 4.042 3.960 0.003 0.000 0.214 101 G C 1.033 175.955 174.900 0.038 0.000 1.138 101 G CA 0.305 45.430 45.100 0.043 0.000 0.794 101 G HN 0.406 nan 8.290 nan 0.000 0.535 102 G N -1.509 107.319 108.800 0.046 0.000 2.131 102 G HA2 0.218 4.180 3.960 0.003 0.000 0.201 102 G HA3 0.218 4.180 3.960 0.003 0.000 0.201 102 G C 0.412 175.337 174.900 0.042 0.000 1.000 102 G CA 0.074 45.199 45.100 0.043 0.000 0.680 102 G HN 1.132 nan 8.290 nan 0.000 0.514 103 G N -1.012 107.816 108.800 0.046 0.000 2.600 103 G HA2 0.762 4.724 3.960 0.003 0.000 0.303 103 G HA3 0.762 4.724 3.960 0.003 0.000 0.303 103 G C -0.202 174.716 174.900 0.030 0.000 1.253 103 G CA -1.181 43.935 45.100 0.026 0.000 0.974 103 G HN 0.639 nan 8.290 nan 0.000 0.483 104 L N 0.627 121.832 121.223 -0.030 0.000 2.326 104 L HA 0.589 4.931 4.340 0.003 0.000 0.278 104 L C 0.670 177.457 176.870 -0.139 0.000 1.092 104 L CA -0.676 54.106 54.840 -0.097 0.000 0.810 104 L CB 1.565 43.540 42.059 -0.140 0.000 1.153 104 L HN 0.550 nan 8.230 nan 0.000 0.439 105 A N 2.217 124.934 122.820 -0.171 0.000 2.260 105 A HA 0.724 5.046 4.320 0.003 0.000 0.314 105 A C 0.199 177.823 177.584 0.066 0.000 1.257 105 A CA -0.274 51.667 52.037 -0.160 0.000 0.871 105 A CB 0.832 19.554 19.000 -0.464 0.000 1.166 105 A HN 0.774 nan 8.150 nan 0.000 0.522 106 G N 0.623 109.487 108.800 0.107 0.000 2.417 106 G HA2 0.578 4.540 3.960 0.003 0.000 0.334 106 G HA3 0.578 4.540 3.960 0.003 0.000 0.334 106 G C -0.877 174.113 174.900 0.149 0.000 1.150 106 G CA -0.493 44.713 45.100 0.176 0.000 0.923 106 G HN 0.931 nan 8.290 nan 0.000 0.485 107 I N 0.106 120.690 120.570 0.024 0.000 2.478 107 I HA 0.375 4.547 4.170 0.003 0.000 0.287 107 I C -0.329 175.763 176.117 -0.042 0.000 1.042 107 I CA -0.678 60.463 61.300 -0.263 0.000 1.067 107 I CB 2.066 39.532 38.000 -0.889 0.000 1.233 107 I HN 0.499 nan 8.210 nan 0.000 0.431 108 E N 8.274 128.376 120.200 -0.164 0.000 1.964 108 E HA 0.262 4.614 4.350 0.003 0.000 0.264 108 E C -0.829 175.674 176.600 -0.162 0.000 1.120 108 E CA -0.529 55.726 56.400 -0.243 0.000 1.061 108 E CB 0.376 29.737 29.700 -0.564 0.000 1.190 108 E HN 0.599 nan 8.360 nan 0.000 0.459 109 L N 2.435 123.641 121.223 -0.029 0.000 2.513 109 L HA 0.214 4.556 4.340 0.003 0.000 0.272 109 L C 0.179 177.135 176.870 0.145 0.000 1.187 109 L CA 0.046 54.879 54.840 -0.012 0.000 0.895 109 L CB 0.530 42.525 42.059 -0.107 0.000 1.147 109 L HN 0.404 nan 8.230 nan 0.000 0.483 110 A N 3.353 126.273 122.820 0.167 0.000 2.488 110 A HA 0.445 4.767 4.320 0.003 0.000 0.295 110 A C -1.375 176.402 177.584 0.321 0.000 1.045 110 A CA -0.600 51.650 52.037 0.355 0.000 0.703 110 A CB 1.253 20.535 19.000 0.470 0.000 1.271 110 A HN 0.721 nan 8.150 nan 0.000 0.400 111 H N 2.235 121.483 119.070 0.298 0.000 2.504 111 H HA 0.312 4.870 4.556 0.003 0.000 0.322 111 H C 0.000 175.464 175.328 0.226 0.000 1.055 111 H CA -0.145 56.057 56.048 0.256 0.000 1.231 111 H CB 1.262 31.187 29.762 0.272 0.000 1.417 111 H HN 0.804 nan 8.280 nan 0.000 0.472 112 N N 2.579 121.315 118.700 0.061 0.000 2.463 112 N HA 0.041 4.783 4.740 0.003 0.000 0.181 112 N C 1.398 177.089 175.510 0.302 0.000 1.078 112 N CA 0.547 53.700 53.050 0.173 0.000 0.902 112 N CB 0.461 38.989 38.487 0.069 0.000 0.970 112 N HN 0.904 nan 8.380 nan 0.000 0.451 113 G N 2.280 111.340 108.800 0.434 0.000 2.634 113 G HA2 -0.437 3.525 3.960 0.003 0.000 0.309 113 G HA3 -0.437 3.525 3.960 0.003 0.000 0.309 113 G C 0.902 175.921 174.900 0.198 0.000 1.265 113 G CA 0.782 46.139 45.100 0.427 0.000 0.998 113 G HN 0.409 nan 8.290 nan 0.000 0.551 114 M N 0.290 119.910 119.600 0.034 0.000 2.700 114 M HA 0.212 4.694 4.480 0.003 0.000 0.249 114 M C 1.467 177.678 176.300 -0.148 0.000 1.082 114 M CA 2.354 57.575 55.300 -0.131 0.000 1.077 114 M CB -0.262 32.156 32.600 -0.304 0.000 1.477 114 M HN 0.398 nan 8.290 nan 0.000 0.529 115 N N 1.202 119.877 118.700 -0.042 0.000 2.336 115 N HA 0.219 4.961 4.740 0.003 0.000 0.189 115 N C -0.391 175.119 175.510 0.001 0.000 1.113 115 N CA 0.161 53.208 53.050 -0.005 0.000 0.858 115 N CB 0.382 38.929 38.487 0.101 0.000 0.970 115 N HN 0.461 nan 8.380 nan 0.000 0.471 116 A N 0.612 123.446 122.820 0.023 0.000 2.280 116 A HA 0.464 4.786 4.320 0.003 0.000 0.320 116 A C -1.880 175.721 177.584 0.028 0.000 1.366 116 A CA -1.376 50.675 52.037 0.023 0.000 0.938 116 A CB 0.914 19.919 19.000 0.008 0.000 1.157 116 A HN 0.183 nan 8.150 nan 0.000 0.536 117 P HA -0.041 nan 4.420 nan 0.000 0.233 117 P C -0.053 177.263 177.300 0.026 0.000 1.167 117 P CA 0.222 63.339 63.100 0.029 0.000 0.770 117 P CB 0.022 31.741 31.700 0.032 0.000 0.837 118 N N -0.408 118.310 118.700 0.029 0.000 2.725 118 N HA -0.206 4.536 4.740 0.003 0.000 0.251 118 N C 0.534 176.055 175.510 0.018 0.000 1.031 118 N CA 0.594 53.656 53.050 0.020 0.000 0.720 118 N CB -1.391 37.098 38.487 0.004 0.000 0.930 118 N HN 0.445 nan 8.380 nan 0.000 0.543 119 Q N -0.280 119.535 119.800 0.025 0.000 2.389 119 Q HA 0.082 4.424 4.340 0.003 0.000 0.204 119 Q C 2.208 178.217 176.000 0.016 0.000 0.944 119 Q CA 0.688 56.500 55.803 0.014 0.000 0.908 119 Q CB 0.387 29.128 28.738 0.005 0.000 1.002 119 Q HN 0.597 nan 8.270 nan 0.000 0.493 120 L N -0.497 120.746 121.223 0.033 0.000 2.269 120 L HA -0.007 4.335 4.340 0.003 0.000 0.200 120 L C 2.307 179.197 176.870 0.034 0.000 1.069 120 L CA 0.925 55.788 54.840 0.039 0.000 0.804 120 L CB -0.108 41.990 42.059 0.065 0.000 0.987 120 L HN 0.107 nan 8.230 nan 0.000 0.468 121 S N -0.271 115.447 115.700 0.030 0.000 2.406 121 S HA -0.139 4.333 4.470 0.003 0.000 0.228 121 S C 1.404 175.978 174.600 -0.044 0.000 1.020 121 S CA 0.775 58.956 58.200 -0.032 0.000 0.965 121 S CB -0.280 62.844 63.200 -0.127 0.000 0.798 121 S HN 0.560 nan 8.310 nan 0.000 0.488 122 R N 0.187 120.673 120.500 -0.023 0.000 4.016 122 R HA -0.111 4.231 4.340 0.003 0.000 0.385 122 R C -0.711 175.574 176.300 -0.024 0.000 1.158 122 R CA 1.282 57.371 56.100 -0.019 0.000 1.117 122 R CB -1.816 28.474 30.300 -0.017 0.000 1.635 122 R HN 0.527 nan 8.270 nan 0.000 0.560 123 E N 1.031 121.205 120.200 -0.043 0.000 2.408 123 E HA 0.049 4.401 4.350 0.003 0.000 0.259 123 E C 0.264 176.865 176.600 0.002 0.000 1.110 123 E CA 0.326 56.706 56.400 -0.034 0.000 0.929 123 E CB 0.403 30.058 29.700 -0.074 0.000 0.971 123 E HN 0.014 nan 8.360 nan 0.000 0.438 124 T N 3.971 118.540 114.554 0.026 0.000 2.799 124 T HA 0.209 4.561 4.350 0.003 0.000 0.296 124 T C -2.193 172.552 174.700 0.075 0.000 0.947 124 T CA -1.118 61.010 62.100 0.048 0.000 1.141 124 T CB 0.337 69.238 68.868 0.056 0.000 0.891 124 T HN 0.144 nan 8.240 nan 0.000 0.533 125 P HA 0.290 nan 4.420 nan 0.000 0.271 125 P C -0.808 176.564 177.300 0.120 0.000 1.218 125 P CA -0.370 62.787 63.100 0.095 0.000 0.780 125 P CB 0.465 32.201 31.700 0.061 0.000 0.901 126 L N 2.036 123.363 121.223 0.174 0.000 2.341 126 L HA 0.840 5.182 4.340 0.003 0.000 0.278 126 L C 0.766 177.726 176.870 0.150 0.000 1.005 126 L CA -0.100 54.835 54.840 0.159 0.000 0.818 126 L CB 2.068 44.237 42.059 0.183 0.000 1.259 126 L HN 0.484 nan 8.230 nan 0.000 0.418 127 G N 1.384 110.236 108.800 0.087 0.000 2.687 127 G HA2 0.517 4.479 3.960 0.003 0.000 0.291 127 G HA3 0.517 4.479 3.960 0.003 0.000 0.291 127 G C -2.618 172.226 174.900 -0.092 0.000 1.420 127 G CA -0.733 44.389 45.100 0.035 0.000 0.796 127 G HN 0.298 nan 8.290 nan 0.000 0.485 128 P HA 0.124 nan 4.420 nan 0.000 0.223 128 P C 0.875 177.968 177.300 -0.344 0.000 1.151 128 P CA 1.390 64.059 63.100 -0.718 0.000 0.787 128 P CB 0.547 31.593 31.700 -1.089 0.000 0.788 129 G N -1.544 107.110 108.800 -0.242 0.000 2.727 129 G HA2 0.325 4.287 3.960 0.003 0.000 0.289 129 G HA3 0.325 4.287 3.960 0.003 0.000 0.289 129 G C -1.418 173.372 174.900 -0.183 0.000 1.418 129 G CA -0.489 44.460 45.100 -0.252 0.000 0.818 129 G HN -0.037 nan 8.290 nan 0.000 0.486 130 H N 0.467 119.528 119.070 -0.016 0.000 3.157 130 H HA 0.437 4.995 4.556 0.003 0.000 0.260 130 H C -0.121 175.205 175.328 -0.003 0.000 1.232 130 H CA 0.420 56.464 56.048 -0.006 0.000 1.488 130 H CB -0.123 29.638 29.762 -0.001 0.000 1.548 130 H HN 0.109 nan 8.280 nan 0.000 0.487 131 L N 4.261 125.542 121.223 0.097 0.000 2.415 131 L HA 0.375 4.717 4.340 0.003 0.000 0.256 131 L C -2.402 174.494 176.870 0.044 0.000 1.010 131 L CA -2.293 52.585 54.840 0.064 0.000 0.826 131 L CB 2.948 45.041 42.059 0.056 0.000 1.405 131 L HN 0.259 nan 8.230 nan 0.000 0.410 132 P HA 0.012 nan 4.420 nan 0.000 0.269 132 P C -0.750 176.558 177.300 0.014 0.000 1.209 132 P CA -0.286 62.831 63.100 0.030 0.000 0.776 132 P CB 0.456 32.178 31.700 0.036 0.000 0.876 133 V N 0.202 120.118 119.914 0.004 0.000 2.720 133 V HA 0.468 4.590 4.120 0.003 0.000 0.307 133 V C 0.110 176.198 176.094 -0.010 0.000 1.071 133 V CA -0.139 62.149 62.300 -0.021 0.000 1.199 133 V CB -0.753 31.067 31.823 -0.005 0.000 0.900 133 V HN 0.740 nan 8.190 nan 0.000 0.494 134 A N 5.601 128.386 122.820 -0.060 0.000 2.601 134 A HA 0.932 5.254 4.320 0.003 0.000 0.291 134 A C -3.050 174.490 177.584 -0.073 0.000 1.075 134 A CA -1.261 50.773 52.037 -0.005 0.000 0.671 134 A CB 1.697 20.739 19.000 0.070 0.000 1.277 134 A HN 0.720 nan 8.150 nan 0.000 0.417 135 P HA 0.381 nan 4.420 nan 0.000 0.297 135 P C -0.943 176.480 177.300 0.205 0.000 1.307 135 P CA 0.697 63.915 63.100 0.197 0.000 0.773 135 P CB 0.213 32.078 31.700 0.276 0.000 1.265 136 D N -3.074 117.457 120.400 0.219 0.000 2.704 136 D HA -0.179 4.463 4.640 0.003 0.000 0.232 136 D C -0.652 175.753 176.300 0.175 0.000 1.183 136 D CA 1.169 55.305 54.000 0.227 0.000 0.647 136 D CB -2.566 38.449 40.800 0.358 0.000 1.013 136 D HN 0.541 nan 8.370 nan 0.000 0.415 137 T N -1.447 113.180 114.554 0.122 0.000 2.885 137 T HA 0.578 4.930 4.350 0.003 0.000 0.322 137 T C 0.029 174.768 174.700 0.065 0.000 1.387 137 T CA -0.490 61.666 62.100 0.092 0.000 1.041 137 T CB 0.961 69.878 68.868 0.082 0.000 1.287 137 T HN 0.531 nan 8.240 nan 0.000 0.491 138 I N 1.258 121.854 120.570 0.044 0.000 3.658 138 I HA 0.742 4.914 4.170 0.003 0.000 0.328 138 I C 0.723 176.852 176.117 0.020 0.000 1.567 138 I CA -0.958 60.361 61.300 0.032 0.000 1.078 138 I CB 0.249 38.265 38.000 0.026 0.000 1.267 138 I HN 0.602 nan 8.210 nan 0.000 0.495 139 A N 2.801 125.633 122.820 0.021 0.000 2.520 139 A HA 0.430 4.752 4.320 0.003 0.000 0.245 139 A C -2.120 175.471 177.584 0.012 0.000 1.072 139 A CA -0.802 51.242 52.037 0.012 0.000 0.761 139 A CB -0.565 18.444 19.000 0.015 0.000 1.004 139 A HN 0.304 nan 8.150 nan 0.000 0.499 140 P HA 0.377 nan 4.420 nan 0.000 0.244 140 P C -0.910 176.394 177.300 0.007 0.000 1.769 140 P CA 0.315 63.419 63.100 0.006 0.000 1.102 140 P CB -0.398 31.302 31.700 0.001 0.000 1.937 141 I N -0.008 120.569 120.570 0.011 0.000 2.785 141 I HA 0.303 4.475 4.170 0.003 0.000 0.293 141 I C -1.682 174.445 176.117 0.017 0.000 1.446 141 I CA -0.757 60.551 61.300 0.012 0.000 1.028 141 I CB 2.358 40.365 38.000 0.012 0.000 1.349 141 I HN -0.011 nan 8.210 nan 0.000 0.438 142 Q N 4.038 123.850 119.800 0.020 0.000 2.348 142 Q HA 0.872 5.214 4.340 0.003 0.000 0.271 142 Q C -0.937 175.086 176.000 0.039 0.000 1.067 142 Q CA -1.175 54.645 55.803 0.029 0.000 0.839 142 Q CB 2.188 30.944 28.738 0.030 0.000 1.354 142 Q HN 0.836 nan 8.270 nan 0.000 0.447 143 A N 1.688 124.535 122.820 0.045 0.000 2.309 143 A HA 0.482 4.804 4.320 0.003 0.000 0.298 143 A C -0.388 177.262 177.584 0.110 0.000 1.165 143 A CA -0.381 51.690 52.037 0.056 0.000 0.821 143 A CB 0.595 19.607 19.000 0.020 0.000 1.102 143 A HN 0.642 nan 8.150 nan 0.000 0.500 144 R N 2.190 122.764 120.500 0.124 0.000 2.438 144 R HA 0.465 4.807 4.340 0.003 0.000 0.287 144 R C 0.184 176.555 176.300 0.118 0.000 1.077 144 R CA 0.563 56.777 56.100 0.191 0.000 1.034 144 R CB 0.396 30.774 30.300 0.131 0.000 0.993 144 R HN 0.865 nan 8.270 nan 0.000 0.459 145 A N 6.484 129.332 122.820 0.048 0.000 2.451 145 A HA 0.219 4.541 4.320 0.003 0.000 0.266 145 A C 0.200 177.754 177.584 -0.051 0.000 1.119 145 A CA -0.238 51.677 52.037 -0.203 0.000 0.786 145 A CB -0.216 18.357 19.000 -0.712 0.000 1.061 145 A HN 0.813 nan 8.150 nan 0.000 0.503 146 M N 2.720 122.311 119.600 -0.014 0.000 2.248 146 M HA 0.158 4.640 4.480 0.003 0.000 0.337 146 M C 1.111 177.403 176.300 -0.012 0.000 1.121 146 M CA 0.239 55.543 55.300 0.007 0.000 1.155 146 M CB 0.372 32.995 32.600 0.039 0.000 1.514 146 M HN 0.867 nan 8.290 nan 0.000 0.452 147 T N -0.794 113.745 114.554 -0.025 0.000 2.862 147 T HA 0.318 4.670 4.350 0.003 0.000 0.276 147 T C 0.861 175.522 174.700 -0.066 0.000 0.974 147 T CA -0.896 61.190 62.100 -0.023 0.000 0.966 147 T CB 1.309 70.171 68.868 -0.009 0.000 1.072 147 T HN 0.590 nan 8.240 nan 0.000 0.538 148 K N -0.073 120.307 120.400 -0.032 0.000 2.160 148 K HA -0.149 4.173 4.320 0.003 0.000 0.206 148 K C 2.419 178.962 176.600 -0.096 0.000 1.047 148 K CA 1.619 57.881 56.287 -0.042 0.000 0.930 148 K CB -0.335 32.184 32.500 0.032 0.000 0.720 148 K HN 0.708 nan 8.250 nan 0.000 0.450 149 Q N 0.850 120.602 119.800 -0.080 0.000 2.123 149 Q HA -0.131 4.211 4.340 0.003 0.000 0.199 149 Q C 1.029 176.929 176.000 -0.167 0.000 0.966 149 Q CA 1.783 57.526 55.803 -0.100 0.000 0.845 149 Q CB -0.005 28.698 28.738 -0.058 0.000 0.907 149 Q HN 0.282 nan 8.270 nan 0.000 0.439 150 D N -0.087 120.214 120.400 -0.165 0.000 2.144 150 D HA -0.130 4.512 4.640 0.003 0.000 0.199 150 D C 1.820 177.886 176.300 -0.391 0.000 0.984 150 D CA 1.186 55.043 54.000 -0.239 0.000 0.834 150 D CB -0.058 40.660 40.800 -0.136 0.000 0.955 150 D HN 0.384 nan 8.370 nan 0.000 0.465 151 I N 1.500 121.855 120.570 -0.358 0.000 2.252 151 I HA -0.226 3.946 4.170 0.003 0.000 0.245 151 I C 1.850 177.722 176.117 -0.409 0.000 1.102 151 I CA 0.995 62.021 61.300 -0.457 0.000 1.385 151 I CB -0.110 37.530 38.000 -0.600 0.000 1.064 151 I HN -0.171 nan 8.210 nan 0.000 0.414 152 D N 0.920 121.136 120.400 -0.307 0.000 2.123 152 D HA -0.194 4.448 4.640 0.003 0.000 0.196 152 D C 1.739 177.793 176.300 -0.410 0.000 0.992 152 D CA 1.331 55.167 54.000 -0.274 0.000 0.833 152 D CB -0.549 40.149 40.800 -0.171 0.000 0.954 152 D HN 0.293 nan 8.370 nan 0.000 0.455 153 D N 0.242 120.322 120.400 -0.534 0.000 2.104 153 D HA -0.136 4.506 4.640 0.003 0.000 0.194 153 D C 2.136 177.466 176.300 -1.616 0.000 0.994 153 D CA 0.386 53.846 54.000 -0.900 0.000 0.830 153 D CB -0.426 39.879 40.800 -0.826 0.000 0.959 153 D HN 0.150 nan 8.370 nan 0.000 0.452 154 L N 0.815 121.230 121.223 -1.347 0.000 2.017 154 L HA -0.115 4.227 4.340 0.003 0.000 0.208 154 L C 2.127 178.686 176.870 -0.519 0.000 1.073 154 L CA 1.657 55.842 54.840 -1.092 0.000 0.745 154 L CB -0.230 41.409 42.059 -0.700 0.000 0.894 154 L HN -0.140 nan 8.230 nan 0.000 0.432 155 R N -0.758 119.491 120.500 -0.418 0.000 2.091 155 R HA -0.180 4.162 4.340 0.003 0.000 0.238 155 R C 2.538 178.768 176.300 -0.117 0.000 1.136 155 R CA 1.806 57.777 56.100 -0.215 0.000 0.959 155 R CB -0.443 29.735 30.300 -0.204 0.000 0.856 155 R HN 0.377 nan 8.270 nan 0.000 0.437 156 R N -0.034 120.338 120.500 -0.214 0.000 2.096 156 R HA -0.151 4.191 4.340 0.003 0.000 0.235 156 R C 1.710 178.073 176.300 0.104 0.000 1.127 156 R CA 1.390 57.443 56.100 -0.079 0.000 0.968 156 R CB -0.037 30.195 30.300 -0.114 0.000 0.861 156 R HN 0.296 nan 8.270 nan 0.000 0.440 157 W N -0.302 121.000 121.300 0.002 0.000 2.402 157 W HA -0.136 4.527 4.660 0.004 0.000 0.286 157 W C 2.141 178.712 176.519 0.086 0.000 1.221 157 W CA 0.472 57.844 57.345 0.045 0.000 1.257 157 W CB -1.149 28.297 29.460 -0.025 0.000 1.120 157 W HN 0.311 nan 8.180 nan 0.000 0.551 158 H N 0.518 119.718 119.070 0.216 0.000 2.343 158 H HA -0.037 4.521 4.556 0.004 0.000 0.303 158 H C 2.265 177.656 175.328 0.105 0.000 1.068 158 H CA 1.842 57.980 56.048 0.149 0.000 1.359 158 H CB 0.103 29.913 29.762 0.080 0.000 1.402 158 H HN 0.032 nan 8.280 nan 0.000 0.515 159 R N 0.462 121.096 120.500 0.223 0.000 2.112 159 R HA -0.169 4.173 4.340 0.003 0.000 0.242 159 R C 2.154 178.517 176.300 0.105 0.000 1.137 159 R CA 2.093 58.277 56.100 0.139 0.000 0.944 159 R CB -0.031 30.326 30.300 0.094 0.000 0.857 159 R HN 0.333 nan 8.270 nan 0.000 0.435 160 N N 0.226 119.002 118.700 0.127 0.000 2.061 160 N HA -0.197 4.545 4.740 0.003 0.000 0.193 160 N C 1.588 177.143 175.510 0.076 0.000 1.030 160 N CA 1.750 54.867 53.050 0.112 0.000 0.856 160 N CB -0.591 37.988 38.487 0.154 0.000 1.023 160 N HN 0.380 nan 8.380 nan 0.000 0.424 161 A N 0.657 123.511 122.820 0.057 0.000 1.933 161 A HA -0.070 4.252 4.320 0.003 0.000 0.218 161 A C 2.524 180.087 177.584 -0.036 0.000 1.175 161 A CA 1.240 53.272 52.037 -0.008 0.000 0.628 161 A CB -0.683 18.273 19.000 -0.074 0.000 0.814 161 A HN 0.124 nan 8.150 nan 0.000 0.444 162 V N -0.393 119.506 119.914 -0.025 0.000 2.307 162 V HA -0.247 3.875 4.120 0.003 0.000 0.245 162 V C 2.565 178.680 176.094 0.036 0.000 1.045 162 V CA 2.170 64.475 62.300 0.007 0.000 1.024 162 V CB -0.780 31.078 31.823 0.058 0.000 0.651 162 V HN 0.549 nan 8.190 nan 0.000 0.449 163 R N -0.118 120.410 120.500 0.047 0.000 2.115 163 R HA -0.203 4.139 4.340 0.003 0.000 0.239 163 R C 2.562 178.894 176.300 0.053 0.000 1.133 163 R CA 2.131 58.262 56.100 0.052 0.000 0.935 163 R CB -0.326 30.006 30.300 0.053 0.000 0.853 163 R HN 0.458 nan 8.270 nan 0.000 0.433 164 R N -0.447 120.080 120.500 0.045 0.000 2.148 164 R HA -0.029 4.313 4.340 0.003 0.000 0.227 164 R C 2.319 178.655 176.300 0.060 0.000 1.103 164 R CA 1.310 57.439 56.100 0.047 0.000 0.983 164 R CB -0.117 30.205 30.300 0.036 0.000 0.874 164 R HN 0.169 nan 8.270 nan 0.000 0.451 165 S N 1.073 116.797 115.700 0.039 0.000 2.383 165 S HA -0.061 4.411 4.470 0.003 0.000 0.227 165 S C 1.928 176.633 174.600 0.174 0.000 1.026 165 S CA 0.973 59.207 58.200 0.057 0.000 0.981 165 S CB -0.054 63.122 63.200 -0.040 0.000 0.818 165 S HN 0.200 nan 8.310 nan 0.000 0.472 166 I N 1.303 121.946 120.570 0.122 0.000 2.406 166 I HA -0.102 4.070 4.170 0.003 0.000 0.249 166 I C 2.437 178.623 176.117 0.114 0.000 1.122 166 I CA 0.952 62.329 61.300 0.128 0.000 1.431 166 I CB -0.235 37.824 38.000 0.099 0.000 1.087 166 I HN 0.246 nan 8.210 nan 0.000 0.424 167 E N 0.856 121.112 120.200 0.094 0.000 2.085 167 E HA -0.254 4.098 4.350 0.003 0.000 0.194 167 E C 2.217 178.869 176.600 0.086 0.000 0.994 167 E CA 1.416 57.862 56.400 0.077 0.000 0.801 167 E CB -0.184 29.553 29.700 0.061 0.000 0.743 167 E HN 0.525 nan 8.360 nan 0.000 0.453 168 A N -0.098 122.803 122.820 0.134 0.000 2.168 168 A HA 0.141 4.463 4.320 0.003 0.000 0.215 168 A C 1.625 179.240 177.584 0.052 0.000 1.152 168 A CA 1.029 53.149 52.037 0.138 0.000 0.716 168 A CB -0.186 18.979 19.000 0.275 0.000 0.794 168 A HN 0.364 nan 8.150 nan 0.000 0.465 169 G N -2.474 106.379 108.800 0.089 0.000 2.167 169 G HA2 -0.220 3.742 3.960 0.003 0.000 0.194 169 G HA3 -0.220 3.742 3.960 0.003 0.000 0.194 169 G C -0.222 174.662 174.900 -0.027 0.000 1.027 169 G CA -0.087 45.033 45.100 0.033 0.000 0.717 169 G HN 0.358 nan 8.290 nan 0.000 0.501 170 Y N 0.647 120.966 120.300 0.032 0.000 2.304 170 Y HA 0.390 4.942 4.550 0.003 0.000 0.327 170 Y C 1.498 177.383 175.900 -0.025 0.000 1.209 170 Y CA 0.038 58.130 58.100 -0.014 0.000 1.299 170 Y CB 0.898 39.343 38.460 -0.026 0.000 1.249 170 Y HN 0.117 nan 8.280 nan 0.000 0.519 171 D N 1.757 122.160 120.400 0.006 0.000 2.277 171 D HA 0.107 4.749 4.640 0.003 0.000 0.209 171 D C -0.007 176.295 176.300 0.003 0.000 0.970 171 D CA 1.184 55.033 54.000 -0.251 0.000 0.874 171 D CB 0.698 41.039 40.800 -0.766 0.000 0.982 171 D HN 0.335 nan 8.370 nan 0.000 0.504 172 I N 1.078 121.673 120.570 0.042 0.000 2.498 172 I HA 0.250 4.422 4.170 0.003 0.000 0.290 172 I C -0.904 175.226 176.117 0.022 0.000 1.032 172 I CA -0.770 60.545 61.300 0.025 0.000 1.073 172 I CB 3.078 41.067 38.000 -0.018 0.000 1.251 172 I HN -0.392 nan 8.210 nan 0.000 0.426 173 V N 6.177 126.072 119.914 -0.032 0.000 2.531 173 V HA 0.375 4.497 4.120 0.003 0.000 0.301 173 V C -1.002 175.074 176.094 -0.030 0.000 1.034 173 V CA -0.696 61.609 62.300 0.007 0.000 0.865 173 V CB 1.798 33.640 31.823 0.031 0.000 0.995 173 V HN 0.417 nan 8.190 nan 0.000 0.424 174 Y N 2.816 123.129 120.300 0.022 0.000 2.310 174 Y HA 0.494 5.046 4.550 0.003 0.000 0.326 174 Y C 0.364 176.348 175.900 0.140 0.000 1.151 174 Y CA -0.353 57.783 58.100 0.060 0.000 1.195 174 Y CB 1.809 40.306 38.460 0.060 0.000 1.210 174 Y HN 0.383 nan 8.280 nan 0.000 0.483 175 V N 4.931 125.012 119.914 0.279 0.000 2.385 175 V HA 0.032 4.154 4.120 0.003 0.000 0.269 175 V C -0.808 175.500 176.094 0.356 0.000 1.043 175 V CA -0.798 61.667 62.300 0.275 0.000 0.906 175 V CB 0.105 31.967 31.823 0.064 0.000 0.995 175 V HN 0.525 nan 8.190 nan 0.000 0.467 176 Y N 3.908 124.337 120.300 0.215 0.000 2.367 176 Y HA 0.671 5.223 4.550 0.004 0.000 0.342 176 Y C 0.695 176.667 175.900 0.120 0.000 0.979 176 Y CA -1.388 56.803 58.100 0.152 0.000 1.161 176 Y CB 1.550 40.071 38.460 0.103 0.000 1.155 176 Y HN 0.593 nan 8.280 nan 0.000 0.503 177 G N 4.429 113.112 108.800 -0.195 0.000 4.803 177 G HA2 0.591 4.553 3.960 0.003 0.000 0.266 177 G HA3 0.591 4.553 3.960 0.003 0.000 0.266 177 G C -0.773 173.978 174.900 -0.250 0.000 1.111 177 G CA 0.215 45.172 45.100 -0.239 0.000 0.874 177 G HN 0.888 nan 8.290 nan 0.000 0.555 178 A N -0.626 121.849 122.820 -0.575 0.000 2.437 178 A HA 0.772 5.094 4.320 0.003 0.000 0.292 178 A C 0.554 177.862 177.584 -0.460 0.000 1.173 178 A CA -0.454 51.353 52.037 -0.383 0.000 0.785 178 A CB 0.493 19.261 19.000 -0.386 0.000 1.351 178 A HN 0.858 nan 8.150 nan 0.000 0.431 179 H N -0.966 117.940 119.070 -0.273 0.000 3.211 179 H HA -0.182 4.377 4.556 0.003 0.000 0.240 179 H C 1.254 176.143 175.328 -0.733 0.000 1.148 179 H CA 1.673 57.410 56.048 -0.518 0.000 1.160 179 H CB -1.635 27.713 29.762 -0.690 0.000 1.232 179 H HN 2.318 nan 8.280 nan 0.000 0.321 180 G N -0.277 107.981 108.800 -0.903 0.000 2.269 180 G HA2 -0.390 3.572 3.960 0.003 0.000 0.277 180 G HA3 -0.390 3.572 3.960 0.003 0.000 0.277 180 G C 0.228 174.991 174.900 -0.229 0.000 1.008 180 G CA 1.023 45.469 45.100 -1.091 0.000 0.774 180 G HN 0.541 nan 8.290 nan 0.000 0.511 181 Y N 0.745 120.852 120.300 -0.321 0.000 2.607 181 Y HA 0.469 5.021 4.550 0.003 0.000 0.266 181 Y C 1.270 177.093 175.900 -0.127 0.000 1.178 181 Y CA -0.743 57.297 58.100 -0.100 0.000 1.226 181 Y CB -0.191 38.300 38.460 0.052 0.000 1.144 181 Y HN 0.613 nan 8.280 nan 0.000 0.528 182 S N -2.847 112.700 115.700 -0.255 0.000 2.588 182 S HA 0.592 5.064 4.470 0.003 0.000 0.275 182 S C 1.092 175.555 174.600 -0.229 0.000 1.130 182 S CA -0.332 57.780 58.200 -0.147 0.000 0.855 182 S CB 1.389 64.439 63.200 -0.250 0.000 1.116 182 S HN 0.148 nan 8.310 nan 0.000 0.472 183 G N 0.672 109.561 108.800 0.149 0.000 2.432 183 G HA2 -0.087 3.875 3.960 0.003 0.000 0.219 183 G HA3 -0.087 3.875 3.960 0.003 0.000 0.219 183 G C 1.102 176.161 174.900 0.265 0.000 1.135 183 G CA 1.046 46.352 45.100 0.343 0.000 0.767 183 G HN 0.682 nan 8.290 nan 0.000 0.550 184 V N 0.327 120.289 119.914 0.080 0.000 2.295 184 V HA -0.228 3.894 4.120 0.003 0.000 0.246 184 V C 2.387 178.532 176.094 0.086 0.000 1.049 184 V CA 2.399 64.734 62.300 0.058 0.000 1.024 184 V CB -0.744 31.074 31.823 -0.008 0.000 0.648 184 V HN 0.681 nan 8.190 nan 0.000 0.447 185 H N -0.322 118.650 119.070 -0.164 0.000 2.353 185 H HA -0.202 4.356 4.556 0.003 0.000 0.300 185 H C 2.343 177.636 175.328 -0.058 0.000 1.090 185 H CA 2.260 58.207 56.048 -0.168 0.000 1.327 185 H CB -0.114 29.459 29.762 -0.314 0.000 1.383 185 H HN 0.669 nan 8.280 nan 0.000 0.508 186 H N -1.527 117.737 119.070 0.324 0.000 2.423 186 H HA -0.067 4.491 4.556 0.003 0.000 0.297 186 H C 1.590 176.995 175.328 0.128 0.000 1.075 186 H CA 1.094 57.277 56.048 0.225 0.000 1.342 186 H CB -0.074 29.695 29.762 0.011 0.000 1.395 186 H HN 0.331 nan 8.280 nan 0.000 0.530 187 F N -0.122 119.925 119.950 0.162 0.000 2.259 187 F HA -0.094 4.435 4.527 0.003 0.000 0.298 187 F C 2.091 177.934 175.800 0.070 0.000 1.088 187 F CA 0.474 58.539 58.000 0.108 0.000 1.358 187 F CB -0.004 39.040 39.000 0.074 0.000 1.040 187 F HN 0.159 nan 8.300 nan 0.000 0.505 188 L N -1.091 120.241 121.223 0.181 0.000 2.209 188 L HA 0.119 4.461 4.340 0.003 0.000 0.207 188 L C 1.168 178.029 176.870 -0.015 0.000 1.094 188 L CA 0.913 55.789 54.840 0.059 0.000 0.790 188 L CB -0.602 41.446 42.059 -0.018 0.000 0.932 188 L HN -0.061 nan 8.230 nan 0.000 0.447 189 S N -0.704 114.979 115.700 -0.029 0.000 2.525 189 S HA 0.169 4.641 4.470 0.003 0.000 0.278 189 S C 1.065 175.660 174.600 -0.008 0.000 1.234 189 S CA -0.517 57.654 58.200 -0.048 0.000 1.058 189 S CB 0.745 63.931 63.200 -0.024 0.000 0.983 189 S HN 0.287 nan 8.310 nan 0.000 0.495 190 K N 2.864 123.232 120.400 -0.054 0.000 2.439 190 K HA 0.009 4.331 4.320 0.003 0.000 0.197 190 K C 2.048 178.581 176.600 -0.110 0.000 1.041 190 K CA 0.245 56.495 56.287 -0.061 0.000 0.970 190 K CB 0.016 32.481 32.500 -0.058 0.000 0.773 190 K HN 0.581 nan 8.250 nan 0.000 0.479 191 R N -0.045 120.340 120.500 -0.191 0.000 2.115 191 R HA -0.129 4.213 4.340 0.003 0.000 0.230 191 R C 1.000 177.009 176.300 -0.485 0.000 1.111 191 R CA 1.478 57.343 56.100 -0.392 0.000 0.976 191 R CB 0.132 30.079 30.300 -0.588 0.000 0.870 191 R HN 0.186 nan 8.270 nan 0.000 0.445 192 Y N -1.452 118.856 120.300 0.013 0.000 2.483 192 Y HA 0.241 4.793 4.550 0.004 0.000 0.258 192 Y C 0.321 176.163 175.900 -0.098 0.000 1.083 192 Y CA -0.492 57.598 58.100 -0.016 0.000 1.283 192 Y CB 0.261 38.757 38.460 0.061 0.000 1.178 192 Y HN -0.057 nan 8.280 nan 0.000 0.515 193 N N 1.261 119.970 118.700 0.015 0.000 2.485 193 N HA 0.128 4.870 4.740 0.003 0.000 0.243 193 N C -0.683 174.792 175.510 -0.058 0.000 0.987 193 N CA 0.090 53.089 53.050 -0.085 0.000 0.940 193 N CB 0.929 39.372 38.487 -0.074 0.000 1.122 193 N HN 0.157 nan 8.380 nan 0.000 0.509 194 Q N 1.570 121.328 119.800 -0.069 0.000 2.182 194 Q HA 0.309 4.651 4.340 0.003 0.000 0.270 194 Q C -0.296 175.682 176.000 -0.037 0.000 0.861 194 Q CA -0.221 55.555 55.803 -0.045 0.000 1.098 194 Q CB 0.635 29.349 28.738 -0.041 0.000 1.188 194 Q HN 0.389 nan 8.270 nan 0.000 0.464 195 R N -0.410 120.071 120.500 -0.032 0.000 2.560 195 R HA 0.295 4.637 4.340 0.003 0.000 0.270 195 R C 0.821 177.132 176.300 0.018 0.000 1.074 195 R CA 0.651 56.747 56.100 -0.006 0.000 1.140 195 R CB 0.721 31.038 30.300 0.029 0.000 1.073 195 R HN 0.190 nan 8.270 nan 0.000 0.527 196 T N -3.942 110.628 114.554 0.026 0.000 3.058 196 T HA 0.030 4.382 4.350 0.003 0.000 0.278 196 T C 0.297 175.016 174.700 0.032 0.000 0.974 196 T CA -0.490 61.623 62.100 0.023 0.000 0.893 196 T CB -0.014 68.862 68.868 0.013 0.000 1.138 196 T HN 0.633 nan 8.240 nan 0.000 0.529 197 D N 2.550 122.986 120.400 0.059 0.000 2.453 197 D HA 0.064 4.706 4.640 0.003 0.000 0.282 197 D C 1.130 177.459 176.300 0.049 0.000 1.222 197 D CA -0.433 53.607 54.000 0.067 0.000 1.079 197 D CB 0.385 41.252 40.800 0.113 0.000 1.128 197 D HN 0.403 nan 8.370 nan 0.000 0.568 198 E N -1.605 118.595 120.200 0.001 0.000 2.472 198 E HA -0.146 4.206 4.350 0.003 0.000 0.200 198 E C 0.620 177.042 176.600 -0.296 0.000 1.046 198 E CA 0.820 57.120 56.400 -0.166 0.000 0.871 198 E CB -0.635 28.907 29.700 -0.263 0.000 0.806 198 E HN 0.435 nan 8.360 nan 0.000 0.533 199 Y N 0.654 120.998 120.300 0.073 0.000 2.524 199 Y HA 0.395 4.947 4.550 0.004 0.000 0.266 199 Y C 0.923 176.917 175.900 0.156 0.000 1.180 199 Y CA -0.165 58.023 58.100 0.147 0.000 1.244 199 Y CB 1.125 39.748 38.460 0.272 0.000 1.125 199 Y HN 0.112 nan 8.280 nan 0.000 0.524 200 G N -2.087 106.809 108.800 0.161 0.000 2.687 200 G HA2 0.534 4.496 3.960 0.003 0.000 0.291 200 G HA3 0.534 4.496 3.960 0.003 0.000 0.291 200 G C 0.075 174.999 174.900 0.040 0.000 1.420 200 G CA -0.165 44.993 45.100 0.097 0.000 0.796 200 G HN 0.353 nan 8.290 nan 0.000 0.485 201 G N -0.220 108.593 108.800 0.022 0.000 2.947 201 G HA2 0.081 4.043 3.960 0.003 0.000 0.251 201 G HA3 0.081 4.043 3.960 0.003 0.000 0.251 201 G C 0.980 175.881 174.900 0.002 0.000 1.481 201 G CA 0.754 45.858 45.100 0.005 0.000 1.006 201 G HN 2.356 nan 8.290 nan 0.000 0.561 202 S N 1.043 116.740 115.700 -0.004 0.000 2.569 202 S HA 0.369 4.841 4.470 0.003 0.000 0.274 202 S C 1.526 176.124 174.600 -0.003 0.000 1.353 202 S CA 0.539 58.734 58.200 -0.009 0.000 1.023 202 S CB 1.418 64.609 63.200 -0.015 0.000 0.876 202 S HN 1.821 nan 8.310 nan 0.000 0.540 203 L N 0.877 122.095 121.223 -0.007 0.000 2.079 203 L HA -0.039 4.303 4.340 0.003 0.000 0.210 203 L C 2.474 179.343 176.870 -0.002 0.000 1.081 203 L CA 2.246 57.083 54.840 -0.005 0.000 0.752 203 L CB -1.313 40.737 42.059 -0.015 0.000 0.896 203 L HN 0.968 nan 8.230 nan 0.000 0.433 204 E N -0.176 120.018 120.200 -0.011 0.000 2.097 204 E HA -0.247 4.105 4.350 0.003 0.000 0.196 204 E C 1.954 178.540 176.600 -0.025 0.000 1.000 204 E CA 1.732 58.122 56.400 -0.018 0.000 0.804 204 E CB -0.200 29.484 29.700 -0.026 0.000 0.740 204 E HN 0.538 nan 8.360 nan 0.000 0.454 205 N N -0.107 118.578 118.700 -0.025 0.000 2.216 205 N HA -0.065 4.677 4.740 0.003 0.000 0.183 205 N C 1.571 177.103 175.510 0.036 0.000 1.017 205 N CA 1.117 54.145 53.050 -0.036 0.000 0.861 205 N CB -0.124 38.346 38.487 -0.028 0.000 0.986 205 N HN 0.202 nan 8.380 nan 0.000 0.428 206 R N 0.120 120.664 120.500 0.073 0.000 2.193 206 R HA 0.126 4.468 4.340 0.003 0.000 0.213 206 R C 1.947 178.334 176.300 0.144 0.000 1.055 206 R CA 0.455 56.644 56.100 0.148 0.000 0.995 206 R CB -0.170 30.190 30.300 0.101 0.000 0.893 206 R HN 0.272 nan 8.270 nan 0.000 0.459 207 M N 1.112 120.758 119.600 0.077 0.000 2.619 207 M HA -0.036 4.446 4.480 0.003 0.000 0.251 207 M C 2.081 178.413 176.300 0.052 0.000 1.106 207 M CA 1.015 56.353 55.300 0.062 0.000 1.086 207 M CB 0.005 32.628 32.600 0.039 0.000 1.465 207 M HN -0.005 nan 8.290 nan 0.000 0.506 208 R N 0.604 121.128 120.500 0.041 0.000 2.081 208 R HA -0.180 4.162 4.340 0.003 0.000 0.235 208 R C 2.103 178.436 176.300 0.055 0.000 1.131 208 R CA 1.524 57.620 56.100 -0.008 0.000 0.960 208 R CB -0.477 29.715 30.300 -0.181 0.000 0.856 208 R HN 0.467 nan 8.270 nan 0.000 0.436 209 L N 1.164 122.453 121.223 0.110 0.000 2.012 209 L HA -0.178 4.164 4.340 0.003 0.000 0.210 209 L C 2.162 178.988 176.870 -0.073 0.000 1.073 209 L CA 1.590 56.402 54.840 -0.047 0.000 0.748 209 L CB -0.757 41.083 42.059 -0.366 0.000 0.891 209 L HN 0.285 nan 8.230 nan 0.000 0.431 210 L N 0.046 121.253 121.223 -0.026 0.000 2.013 210 L HA -0.241 4.101 4.340 0.003 0.000 0.212 210 L C 2.780 179.645 176.870 -0.010 0.000 1.073 210 L CA 2.224 57.058 54.840 -0.009 0.000 0.753 210 L CB -0.895 41.197 42.059 0.055 0.000 0.890 210 L HN 0.453 nan 8.230 nan 0.000 0.432 211 R N -0.374 120.132 120.500 0.010 0.000 2.083 211 R HA -0.206 4.136 4.340 0.003 0.000 0.237 211 R C 2.145 178.431 176.300 -0.024 0.000 1.137 211 R CA 2.101 58.205 56.100 0.006 0.000 0.951 211 R CB -0.352 29.951 30.300 0.006 0.000 0.851 211 R HN 0.559 nan 8.270 nan 0.000 0.434 212 E N 0.259 120.438 120.200 -0.035 0.000 2.106 212 E HA -0.150 4.202 4.350 0.003 0.000 0.192 212 E C 2.086 178.632 176.600 -0.090 0.000 0.984 212 E CA 1.218 57.586 56.400 -0.052 0.000 0.806 212 E CB 0.003 29.682 29.700 -0.036 0.000 0.750 212 E HN 0.402 nan 8.360 nan 0.000 0.458 213 L N 0.442 121.584 121.223 -0.135 0.000 2.179 213 L HA -0.097 4.245 4.340 0.003 0.000 0.208 213 L C 2.361 179.142 176.870 -0.148 0.000 1.096 213 L CA 0.437 55.146 54.840 -0.219 0.000 0.779 213 L CB -0.271 41.565 42.059 -0.371 0.000 0.922 213 L HN 0.150 nan 8.230 nan 0.000 0.443 214 L N -0.104 121.058 121.223 -0.100 0.000 1.989 214 L HA -0.232 4.110 4.340 0.003 0.000 0.211 214 L C 2.560 179.396 176.870 -0.055 0.000 1.071 214 L CA 1.567 56.360 54.840 -0.079 0.000 0.749 214 L CB -0.455 41.562 42.059 -0.070 0.000 0.890 214 L HN 0.278 nan 8.230 nan 0.000 0.431 215 E N -0.136 120.038 120.200 -0.043 0.000 2.077 215 E HA -0.219 4.133 4.350 0.003 0.000 0.193 215 E C 1.793 178.380 176.600 -0.021 0.000 0.989 215 E CA 1.339 57.722 56.400 -0.029 0.000 0.800 215 E CB -0.059 29.626 29.700 -0.024 0.000 0.746 215 E HN 0.469 nan 8.360 nan 0.000 0.452 216 D N 0.017 120.402 120.400 -0.025 0.000 2.117 216 D HA -0.114 4.528 4.640 0.003 0.000 0.197 216 D C 1.964 178.278 176.300 0.024 0.000 0.987 216 D CA 1.314 55.312 54.000 -0.005 0.000 0.829 216 D CB -0.526 40.267 40.800 -0.012 0.000 0.961 216 D HN 0.095 nan 8.370 nan 0.000 0.460 217 T N 1.062 115.633 114.554 0.029 0.000 2.746 217 T HA -0.054 4.298 4.350 0.003 0.000 0.267 217 T C 2.228 176.945 174.700 0.029 0.000 1.039 217 T CA 0.513 62.652 62.100 0.064 0.000 1.142 217 T CB -0.273 68.644 68.868 0.082 0.000 0.866 217 T HN 0.106 nan 8.240 nan 0.000 0.444 218 L N 0.725 121.948 121.223 -0.001 0.000 2.083 218 L HA -0.108 4.234 4.340 0.003 0.000 0.209 218 L C 2.497 179.367 176.870 0.000 0.000 1.083 218 L CA 1.437 56.271 54.840 -0.010 0.000 0.752 218 L CB -0.435 41.608 42.059 -0.026 0.000 0.899 218 L HN 0.279 nan 8.230 nan 0.000 0.433 219 D N -0.265 120.137 120.400 0.004 0.000 2.084 219 D HA -0.239 4.403 4.640 0.003 0.000 0.196 219 D C 2.053 178.363 176.300 0.016 0.000 0.985 219 D CA 1.032 55.036 54.000 0.006 0.000 0.826 219 D CB 0.159 40.962 40.800 0.004 0.000 0.978 219 D HN 0.062 nan 8.370 nan 0.000 0.456 220 E N -0.186 120.030 120.200 0.026 0.000 2.070 220 E HA -0.175 4.177 4.350 0.003 0.000 0.197 220 E C 2.134 178.757 176.600 0.038 0.000 1.004 220 E CA 1.104 57.526 56.400 0.037 0.000 0.805 220 E CB -0.751 28.981 29.700 0.052 0.000 0.744 220 E HN 0.426 nan 8.360 nan 0.000 0.451 221 C N -0.250 119.074 119.300 0.039 0.000 2.396 221 C HA 0.039 4.501 4.460 0.003 0.000 0.281 221 C C 1.444 176.451 174.990 0.028 0.000 1.208 221 C CA 1.062 60.104 59.018 0.041 0.000 1.754 221 C CB -1.402 26.361 27.740 0.038 0.000 2.044 221 C HN 0.693 nan 8.230 nan 0.000 0.449 222 A N -0.843 121.985 122.820 0.013 0.000 2.475 222 A HA 0.234 4.556 4.320 0.003 0.000 0.295 222 A C 1.262 178.842 177.584 -0.006 0.000 1.457 222 A CA 1.173 53.212 52.037 0.002 0.000 0.734 222 A CB -1.646 17.358 19.000 0.007 0.000 1.118 222 A HN 2.492 nan 8.150 nan 0.000 0.400 223 G N -0.868 107.920 108.800 -0.019 0.000 2.187 223 G HA2 -0.364 3.598 3.960 0.003 0.000 0.261 223 G HA3 -0.364 3.598 3.960 0.003 0.000 0.261 223 G C 0.730 175.601 174.900 -0.049 0.000 1.000 223 G CA 1.500 46.572 45.100 -0.048 0.000 0.718 223 G HN 1.234 nan 8.290 nan 0.000 0.519 224 R N -0.319 120.187 120.500 0.010 0.000 2.225 224 R HA 0.634 4.976 4.340 0.003 0.000 0.194 224 R C 1.165 177.574 176.300 0.181 0.000 0.957 224 R CA 1.345 57.484 56.100 0.066 0.000 1.042 224 R CB 0.463 30.808 30.300 0.075 0.000 1.004 224 R HN 0.848 nan 8.270 nan 0.000 0.509 225 A N -0.425 122.498 122.820 0.172 0.000 2.587 225 A HA 0.801 5.123 4.320 0.003 0.000 0.293 225 A C -1.349 176.350 177.584 0.192 0.000 1.087 225 A CA -0.679 51.537 52.037 0.299 0.000 0.692 225 A CB 1.317 20.437 19.000 0.200 0.000 1.291 225 A HN 0.169 nan 8.150 nan 0.000 0.407 226 A N 0.100 123.067 122.820 0.245 0.000 2.286 226 A HA 0.657 4.979 4.320 0.003 0.000 0.286 226 A C -0.425 177.161 177.584 0.003 0.000 1.097 226 A CA -0.319 51.779 52.037 0.101 0.000 0.821 226 A CB 0.498 19.585 19.000 0.144 0.000 1.076 226 A HN 1.374 nan 8.150 nan 0.000 0.490 227 V N 1.176 121.045 119.914 -0.074 0.000 2.409 227 V HA 0.615 4.737 4.120 0.003 0.000 0.291 227 V C 0.443 176.378 176.094 -0.264 0.000 1.020 227 V CA -0.118 62.099 62.300 -0.138 0.000 0.848 227 V CB 1.058 32.813 31.823 -0.112 0.000 0.990 227 V HN 1.177 nan 8.190 nan 0.000 0.430 228 A N 3.737 126.325 122.820 -0.387 0.000 2.340 228 A HA 0.733 5.055 4.320 0.003 0.000 0.331 228 A C -0.567 176.766 177.584 -0.419 0.000 1.140 228 A CA -0.455 51.243 52.037 -0.565 0.000 0.801 228 A CB 1.513 19.863 19.000 -1.082 0.000 1.234 228 A HN 0.894 nan 8.150 nan 0.000 0.469 229 C N 2.226 121.306 119.300 -0.366 0.000 2.322 229 C HA 0.683 5.145 4.460 0.003 0.000 0.324 229 C C 0.147 175.237 174.990 0.166 0.000 1.249 229 C CA -0.571 58.362 59.018 -0.143 0.000 1.453 229 C CB -0.182 27.238 27.740 -0.533 0.000 2.145 229 C HN 0.912 nan 8.230 nan 0.000 0.466 230 R N 5.490 126.231 120.500 0.401 0.000 2.198 230 R HA 0.696 5.038 4.340 0.003 0.000 0.339 230 R C -0.953 175.516 176.300 0.282 0.000 1.020 230 R CA -0.224 56.101 56.100 0.376 0.000 0.864 230 R CB 0.547 31.071 30.300 0.373 0.000 1.105 230 R HN 0.871 nan 8.270 nan 0.000 0.463 231 I N 2.512 123.259 120.570 0.295 0.000 2.608 231 I HA 0.260 4.432 4.170 0.003 0.000 0.295 231 I C -0.383 175.827 176.117 0.156 0.000 1.049 231 I CA -0.689 60.758 61.300 0.244 0.000 1.063 231 I CB 2.581 40.812 38.000 0.384 0.000 1.248 231 I HN 0.545 nan 8.210 nan 0.000 0.424 232 T N 5.963 120.548 114.554 0.051 0.000 2.817 232 T HA 0.077 4.429 4.350 0.003 0.000 0.295 232 T C 1.102 175.788 174.700 -0.023 0.000 0.958 232 T CA -0.089 62.009 62.100 -0.004 0.000 1.157 232 T CB 0.639 69.538 68.868 0.051 0.000 0.898 232 T HN 0.518 nan 8.240 nan 0.000 0.536 233 V N 1.187 121.066 119.914 -0.058 0.000 3.125 233 V HA 0.402 4.524 4.120 0.003 0.000 0.249 233 V C 0.473 176.460 176.094 -0.178 0.000 1.113 233 V CA 0.450 62.670 62.300 -0.134 0.000 1.106 233 V CB -0.010 31.696 31.823 -0.195 0.000 0.768 233 V HN 0.717 nan 8.190 nan 0.000 0.468 234 E N -0.262 119.792 120.200 -0.242 0.000 2.311 234 E HA 0.293 4.645 4.350 0.003 0.000 0.281 234 E C 0.126 176.555 176.600 -0.285 0.000 0.905 234 E CA -0.122 56.072 56.400 -0.343 0.000 0.778 234 E CB 1.915 31.184 29.700 -0.719 0.000 1.240 234 E HN 0.249 nan 8.360 nan 0.000 0.410 235 E N 3.173 123.269 120.200 -0.173 0.000 2.400 235 E HA 0.031 4.383 4.350 0.003 0.000 0.195 235 E C -0.361 176.184 176.600 -0.091 0.000 1.012 235 E CA 0.705 57.065 56.400 -0.067 0.000 0.875 235 E CB 0.175 29.890 29.700 0.025 0.000 0.859 235 E HN 0.727 nan 8.360 nan 0.000 0.498 236 E N -0.425 119.686 120.200 -0.149 0.000 3.070 236 E HA -0.234 4.118 4.350 0.003 0.000 0.285 236 E C -0.396 176.177 176.600 -0.045 0.000 0.972 236 E CA 0.761 57.095 56.400 -0.109 0.000 0.915 236 E CB -1.586 28.049 29.700 -0.109 0.000 1.466 236 E HN 0.400 nan 8.360 nan 0.000 0.432 237 I N -0.845 119.702 120.570 -0.038 0.000 3.074 237 I HA 0.155 4.327 4.170 0.003 0.000 0.310 237 I C 1.094 177.189 176.117 -0.036 0.000 1.153 237 I CA -0.755 60.530 61.300 -0.025 0.000 0.993 237 I CB 1.638 39.631 38.000 -0.011 0.000 1.237 237 I HN -0.213 nan 8.210 nan 0.000 0.443 238 D N 3.123 123.502 120.400 -0.035 0.000 2.182 238 D HA -0.165 4.477 4.640 0.003 0.000 0.193 238 D C 1.392 177.663 176.300 -0.048 0.000 0.999 238 D CA 2.255 56.233 54.000 -0.037 0.000 0.850 238 D CB -0.122 40.658 40.800 -0.034 0.000 0.994 238 D HN 0.757 nan 8.370 nan 0.000 0.450 239 G N -0.065 108.695 108.800 -0.066 0.000 3.233 239 G HA2 0.320 4.282 3.960 0.003 0.000 0.227 239 G HA3 0.320 4.282 3.960 0.003 0.000 0.227 239 G C 0.746 175.596 174.900 -0.082 0.000 1.175 239 G CA 0.407 45.464 45.100 -0.072 0.000 0.781 239 G HN 0.348 nan 8.290 nan 0.000 0.542 240 G N 0.146 108.900 108.800 -0.078 0.000 2.570 240 G HA2 0.405 4.367 3.960 0.003 0.000 0.276 240 G HA3 0.405 4.367 3.960 0.003 0.000 0.276 240 G C 0.041 174.892 174.900 -0.082 0.000 1.346 240 G CA -0.836 44.220 45.100 -0.073 0.000 1.034 240 G HN 0.235 nan 8.290 nan 0.000 0.512 241 I N -0.188 120.320 120.570 -0.104 0.000 2.588 241 I HA 0.268 4.440 4.170 0.003 0.000 0.283 241 I C 0.941 176.993 176.117 -0.109 0.000 1.119 241 I CA 0.488 61.714 61.300 -0.122 0.000 1.419 241 I CB 1.214 39.107 38.000 -0.179 0.000 1.394 241 I HN 0.401 nan 8.210 nan 0.000 0.562 242 T N 3.395 117.891 114.554 -0.096 0.000 2.626 242 T HA 0.296 4.648 4.350 0.003 0.000 0.279 242 T C 0.802 175.454 174.700 -0.079 0.000 0.983 242 T CA -0.654 61.396 62.100 -0.083 0.000 1.059 242 T CB 1.467 70.301 68.868 -0.057 0.000 1.396 242 T HN 0.658 nan 8.240 nan 0.000 0.519 243 R N 1.020 121.489 120.500 -0.053 0.000 2.073 243 R HA 0.026 4.368 4.340 0.003 0.000 0.234 243 R C 2.025 178.284 176.300 -0.068 0.000 1.134 243 R CA 2.811 58.878 56.100 -0.055 0.000 0.952 243 R CB -0.636 29.653 30.300 -0.019 0.000 0.850 243 R HN 0.724 nan 8.270 nan 0.000 0.433 244 E N -0.191 119.977 120.200 -0.054 0.000 2.118 244 E HA -0.202 4.150 4.350 0.003 0.000 0.195 244 E C 1.223 177.786 176.600 -0.062 0.000 0.992 244 E CA 1.645 58.013 56.400 -0.054 0.000 0.804 244 E CB -0.043 29.633 29.700 -0.041 0.000 0.741 244 E HN 0.470 nan 8.360 nan 0.000 0.458 245 D N 0.484 120.844 120.400 -0.066 0.000 2.078 245 D HA -0.187 4.455 4.640 0.003 0.000 0.193 245 D C 2.080 178.330 176.300 -0.082 0.000 0.990 245 D CA 1.023 54.983 54.000 -0.068 0.000 0.827 245 D CB -0.353 40.403 40.800 -0.073 0.000 0.975 245 D HN 0.235 nan 8.370 nan 0.000 0.451 246 I N 1.630 122.136 120.570 -0.108 0.000 2.226 246 I HA -0.226 3.946 4.170 0.003 0.000 0.245 246 I C 2.003 178.020 176.117 -0.166 0.000 1.100 246 I CA 1.472 62.686 61.300 -0.142 0.000 1.374 246 I CB -0.224 37.663 38.000 -0.189 0.000 1.057 246 I HN -0.035 nan 8.210 nan 0.000 0.413 247 E N 0.313 120.425 120.200 -0.146 0.000 2.085 247 E HA -0.205 4.147 4.350 0.003 0.000 0.194 247 E C 2.204 178.741 176.600 -0.105 0.000 0.994 247 E CA 1.244 57.564 56.400 -0.133 0.000 0.801 247 E CB -0.603 29.035 29.700 -0.102 0.000 0.743 247 E HN 0.705 nan 8.360 nan 0.000 0.453 248 G N 0.914 109.666 108.800 -0.080 0.000 2.408 248 G HA2 -0.208 3.754 3.960 0.003 0.000 0.217 248 G HA3 -0.208 3.754 3.960 0.003 0.000 0.217 248 G C 1.760 176.629 174.900 -0.051 0.000 1.150 248 G CA 0.608 45.675 45.100 -0.056 0.000 0.776 248 G HN 0.110 nan 8.290 nan 0.000 0.542 249 V N 1.046 120.922 119.914 -0.062 0.000 2.287 249 V HA -0.167 3.955 4.120 0.003 0.000 0.248 249 V C 2.916 178.962 176.094 -0.080 0.000 1.053 249 V CA 1.595 63.870 62.300 -0.041 0.000 1.027 249 V CB -0.453 31.349 31.823 -0.034 0.000 0.646 249 V HN 0.350 nan 8.190 nan 0.000 0.447 250 L N -0.694 120.416 121.223 -0.188 0.000 2.141 250 L HA -0.136 4.206 4.340 0.003 0.000 0.209 250 L C 2.828 179.642 176.870 -0.095 0.000 1.094 250 L CA 1.356 56.053 54.840 -0.238 0.000 0.763 250 L CB -0.614 41.250 42.059 -0.325 0.000 0.908 250 L HN 0.282 nan 8.230 nan 0.000 0.437 251 R N -0.061 120.399 120.500 -0.066 0.000 2.081 251 R HA -0.140 4.202 4.340 0.003 0.000 0.235 251 R C 2.023 178.323 176.300 0.001 0.000 1.131 251 R CA 1.145 57.227 56.100 -0.030 0.000 0.960 251 R CB -0.272 30.010 30.300 -0.030 0.000 0.856 251 R HN 0.410 nan 8.270 nan 0.000 0.436 252 E N 0.030 120.235 120.200 0.009 0.000 2.190 252 E HA -0.020 4.332 4.350 0.003 0.000 0.191 252 E C 1.465 178.106 176.600 0.068 0.000 0.978 252 E CA 0.756 57.173 56.400 0.029 0.000 0.839 252 E CB 0.266 29.979 29.700 0.021 0.000 0.787 252 E HN 0.130 nan 8.360 nan 0.000 0.473 253 L N -0.640 120.649 121.223 0.111 0.000 2.966 253 L HA 0.261 4.603 4.340 0.003 0.000 0.262 253 L C 1.860 178.960 176.870 0.383 0.000 1.165 253 L CA 0.343 55.312 54.840 0.215 0.000 0.978 253 L CB 0.279 42.496 42.059 0.263 0.000 1.337 253 L HN 0.044 nan 8.230 nan 0.000 0.563 254 G N -0.510 108.455 108.800 0.276 0.000 2.499 254 G HA2 -0.204 3.758 3.960 0.003 0.000 0.221 254 G HA3 -0.204 3.758 3.960 0.003 0.000 0.221 254 G C 1.281 176.472 174.900 0.485 0.000 1.109 254 G CA 0.654 45.984 45.100 0.383 0.000 0.749 254 G HN 0.296 nan 8.290 nan 0.000 0.568 255 E N -0.407 119.954 120.200 0.269 0.000 2.481 255 E HA 0.233 4.585 4.350 0.003 0.000 0.198 255 E C 2.320 178.985 176.600 0.109 0.000 1.027 255 E CA -0.213 56.289 56.400 0.171 0.000 0.900 255 E CB 0.344 30.105 29.700 0.102 0.000 0.993 255 E HN 0.415 nan 8.360 nan 0.000 0.482 256 L N 1.423 122.716 121.223 0.117 0.000 2.007 256 L HA 0.010 4.352 4.340 0.003 0.000 0.205 256 L C -1.124 175.684 176.870 -0.104 0.000 1.073 256 L CA 0.870 55.716 54.840 0.010 0.000 0.744 256 L CB -1.287 40.783 42.059 0.018 0.000 0.898 256 L HN 0.075 nan 8.230 nan 0.000 0.435 257 P HA 0.048 nan 4.420 nan 0.000 0.279 257 P C -0.417 176.709 177.300 -0.290 0.000 1.282 257 P CA -0.109 62.754 63.100 -0.395 0.000 0.788 257 P CB 0.685 31.879 31.700 -0.843 0.000 1.139 258 D N -1.148 119.099 120.400 -0.254 0.000 2.271 258 D HA 0.110 4.752 4.640 0.003 0.000 0.206 258 D C 0.386 176.582 176.300 -0.173 0.000 0.967 258 D CA 0.969 54.875 54.000 -0.156 0.000 0.867 258 D CB 0.348 41.092 40.800 -0.092 0.000 0.960 258 D HN 0.140 nan 8.370 nan 0.000 0.509 259 L N -0.358 120.685 121.223 -0.299 0.000 2.482 259 L HA 0.395 4.737 4.340 0.003 0.000 0.263 259 L C -2.019 174.592 176.870 -0.432 0.000 0.957 259 L CA -0.661 54.025 54.840 -0.256 0.000 0.836 259 L CB 2.105 44.059 42.059 -0.175 0.000 1.324 259 L HN -0.235 nan 8.230 nan 0.000 0.406 260 W N 3.573 124.715 121.300 -0.263 0.000 2.433 260 W HA 0.459 5.121 4.660 0.004 0.000 0.315 260 W C -0.449 175.711 176.519 -0.598 0.000 1.087 260 W CA -0.164 56.918 57.345 -0.438 0.000 1.205 260 W CB 1.430 30.520 29.460 -0.616 0.000 1.288 260 W HN 0.394 nan 8.180 nan 0.000 0.504 261 D N 3.379 123.672 120.400 -0.177 0.000 2.414 261 D HA 0.228 4.870 4.640 0.003 0.000 0.232 261 D C -1.385 174.895 176.300 -0.034 0.000 1.070 261 D CA -0.596 53.336 54.000 -0.113 0.000 0.839 261 D CB 0.596 41.498 40.800 0.171 0.000 1.079 261 D HN -0.027 nan 8.370 nan 0.000 0.521 262 F N 2.118 122.155 119.950 0.146 0.000 2.405 262 F HA 0.638 5.168 4.527 0.004 0.000 0.355 262 F C 0.831 176.674 175.800 0.073 0.000 1.121 262 F CA -0.788 57.276 58.000 0.106 0.000 1.112 262 F CB 1.393 40.444 39.000 0.085 0.000 1.126 262 F HN 0.336 nan 8.300 nan 0.000 0.481 263 A N 3.842 126.801 122.820 0.232 0.000 2.593 263 A HA 0.830 5.152 4.320 0.003 0.000 0.290 263 A C -0.520 177.040 177.584 -0.039 0.000 1.126 263 A CA -0.905 51.174 52.037 0.070 0.000 0.695 263 A CB 1.471 20.459 19.000 -0.021 0.000 1.290 263 A HN 0.496 nan 8.150 nan 0.000 0.414 264 M N 0.211 119.766 119.600 -0.076 0.000 2.055 264 M HA 0.288 4.770 4.480 0.003 0.000 0.279 264 M C 1.443 177.642 176.300 -0.167 0.000 1.236 264 M CA 0.519 55.751 55.300 -0.114 0.000 1.074 264 M CB 0.102 32.664 32.600 -0.064 0.000 1.394 264 M HN 0.951 nan 8.290 nan 0.000 0.492 265 G N -0.143 108.591 108.800 -0.111 0.000 3.337 265 G HA2 0.251 4.213 3.960 0.003 0.000 0.246 265 G HA3 0.251 4.213 3.960 0.003 0.000 0.246 265 G C -0.035 174.818 174.900 -0.077 0.000 1.131 265 G CA 0.290 45.377 45.100 -0.021 0.000 0.773 265 G HN 0.723 nan 8.290 nan 0.000 0.544 266 S N -2.305 113.334 115.700 -0.101 0.000 2.552 266 S HA 0.249 4.721 4.470 0.003 0.000 0.272 266 S C -0.287 174.266 174.600 -0.080 0.000 1.150 266 S CA -0.720 57.405 58.200 -0.124 0.000 0.849 266 S CB 0.859 64.027 63.200 -0.054 0.000 1.113 266 S HN 0.047 nan 8.310 nan 0.000 0.458 267 W N 2.118 123.130 121.300 -0.480 0.000 2.476 267 W HA 0.154 4.816 4.660 0.003 0.000 0.281 267 W C 1.889 177.980 176.519 -0.713 0.000 1.230 267 W CA 1.345 58.338 57.345 -0.587 0.000 1.287 267 W CB -0.571 28.445 29.460 -0.741 0.000 1.108 267 W HN 1.058 nan 8.180 nan 0.000 0.567 268 E N -0.590 119.210 120.200 -0.666 0.000 2.070 268 E HA -0.177 4.175 4.350 0.003 0.000 0.197 268 E C 2.376 178.867 176.600 -0.182 0.000 1.004 268 E CA 2.106 58.228 56.400 -0.462 0.000 0.805 268 E CB -0.789 28.830 29.700 -0.136 0.000 0.744 268 E HN 0.205 nan 8.360 nan 0.000 0.451 269 G N 0.257 108.995 108.800 -0.103 0.000 2.418 269 G HA2 -0.316 3.646 3.960 0.003 0.000 0.217 269 G HA3 -0.316 3.646 3.960 0.003 0.000 0.217 269 G C 1.341 176.247 174.900 0.010 0.000 1.158 269 G CA 1.065 46.143 45.100 -0.037 0.000 0.771 269 G HN 0.316 nan 8.290 nan 0.000 0.545 270 D N 0.347 120.775 120.400 0.047 0.000 2.085 270 D HA 0.002 4.644 4.640 0.003 0.000 0.199 270 D C 1.469 177.846 176.300 0.128 0.000 0.981 270 D CA 0.739 54.814 54.000 0.124 0.000 0.834 270 D CB -0.080 40.865 40.800 0.242 0.000 0.992 270 D HN 0.154 nan 8.370 nan 0.000 0.457 271 S N 0.440 116.227 115.700 0.144 0.000 3.812 271 S HA 0.244 4.716 4.470 0.003 0.000 0.195 271 S C -0.447 174.181 174.600 0.047 0.000 1.460 271 S CA -0.503 57.761 58.200 0.107 0.000 1.052 271 S CB 0.324 63.619 63.200 0.158 0.000 1.385 271 S HN 0.022 nan 8.310 nan 0.000 0.490 272 V N 2.121 122.076 119.914 0.068 0.000 2.530 272 V HA 0.156 4.278 4.120 0.003 0.000 0.282 272 V C 1.203 177.382 176.094 0.142 0.000 1.048 272 V CA -0.452 61.908 62.300 0.101 0.000 0.997 272 V CB 1.048 32.939 31.823 0.113 0.000 0.987 272 V HN 0.444 nan 8.190 nan 0.000 0.477 273 T N 3.545 118.223 114.554 0.208 0.000 2.908 273 T HA -0.010 4.342 4.350 0.003 0.000 0.325 273 T C 1.456 176.275 174.700 0.197 0.000 1.092 273 T CA 0.674 62.916 62.100 0.236 0.000 1.125 273 T CB 0.697 69.773 68.868 0.348 0.000 1.016 273 T HN 1.115 nan 8.240 nan 0.000 0.550 274 S N 3.460 119.256 115.700 0.160 0.000 2.453 274 S HA -0.092 4.380 4.470 0.003 0.000 0.231 274 S C 1.910 176.525 174.600 0.024 0.000 1.005 274 S CA 0.623 58.889 58.200 0.110 0.000 0.949 274 S CB -0.283 62.996 63.200 0.131 0.000 0.774 274 S HN 0.729 nan 8.310 nan 0.000 0.510 275 R N -0.239 120.238 120.500 -0.038 0.000 2.211 275 R HA -0.060 4.282 4.340 0.003 0.000 0.240 275 R C 0.615 176.542 176.300 -0.621 0.000 1.144 275 R CA 1.632 57.514 56.100 -0.363 0.000 0.992 275 R CB -0.229 29.797 30.300 -0.456 0.000 0.869 275 R HN 0.552 nan 8.270 nan 0.000 0.462 276 F N -1.730 118.250 119.950 0.051 0.000 2.784 276 F HA 0.454 4.983 4.527 0.003 0.000 0.323 276 F C 0.040 175.867 175.800 0.045 0.000 1.085 276 F CA 0.040 58.068 58.000 0.047 0.000 1.196 276 F CB 1.190 40.224 39.000 0.057 0.000 1.053 276 F HN -0.015 nan 8.300 nan 0.000 0.578 277 A N 0.940 123.858 122.820 0.164 0.000 2.513 277 A HA 0.641 4.963 4.320 0.003 0.000 0.296 277 A C -2.754 174.876 177.584 0.076 0.000 1.052 277 A CA -1.274 50.835 52.037 0.120 0.000 0.714 277 A CB 0.873 19.951 19.000 0.130 0.000 1.279 277 A HN -0.153 nan 8.150 nan 0.000 0.397 278 P HA 0.119 nan 4.420 nan 0.000 0.273 278 P C -0.168 177.154 177.300 0.036 0.000 1.250 278 P CA -0.206 62.921 63.100 0.045 0.000 0.793 278 P CB 0.559 32.283 31.700 0.040 0.000 1.011 279 E N -0.267 119.956 120.200 0.038 0.000 2.413 279 E HA 0.203 4.555 4.350 0.003 0.000 0.263 279 E C 0.792 177.396 176.600 0.007 0.000 1.015 279 E CA 0.532 56.943 56.400 0.017 0.000 0.916 279 E CB -0.431 29.314 29.700 0.074 0.000 0.947 279 E HN 0.781 nan 8.360 nan 0.000 0.440 280 G N 3.716 112.453 108.800 -0.105 0.000 2.176 280 G HA2 -0.295 3.667 3.960 0.003 0.000 0.252 280 G HA3 -0.295 3.667 3.960 0.003 0.000 0.252 280 G C 0.810 175.706 174.900 -0.008 0.000 1.024 280 G CA 0.545 45.621 45.100 -0.041 0.000 0.755 280 G HN 0.601 nan 8.290 nan 0.000 0.507 281 R N 0.287 120.769 120.500 -0.029 0.000 2.152 281 R HA 0.017 4.359 4.340 0.003 0.000 0.232 281 R C 2.332 178.642 176.300 0.016 0.000 1.117 281 R CA 2.102 58.206 56.100 0.006 0.000 0.981 281 R CB -0.320 30.008 30.300 0.046 0.000 0.870 281 R HN 0.647 nan 8.270 nan 0.000 0.451 282 Q N -0.430 119.408 119.800 0.064 0.000 2.466 282 Q HA -0.058 4.284 4.340 0.003 0.000 0.210 282 Q C 1.198 177.261 176.000 0.106 0.000 0.961 282 Q CA 0.417 56.328 55.803 0.179 0.000 0.953 282 Q CB 0.267 29.111 28.738 0.176 0.000 1.011 282 Q HN 0.511 nan 8.270 nan 0.000 0.516 283 E N 1.483 121.693 120.200 0.017 0.000 2.072 283 E HA -0.167 4.185 4.350 0.003 0.000 0.190 283 E C 1.292 177.816 176.600 -0.126 0.000 0.982 283 E CA 0.588 56.990 56.400 0.002 0.000 0.803 283 E CB 0.298 30.019 29.700 0.035 0.000 0.755 283 E HN 0.293 nan 8.360 nan 0.000 0.453 284 E N -0.400 119.603 120.200 -0.327 0.000 2.333 284 E HA -0.193 4.159 4.350 0.003 0.000 0.200 284 E C 1.409 177.735 176.600 -0.457 0.000 1.010 284 E CA 0.883 56.997 56.400 -0.475 0.000 0.841 284 E CB -0.061 29.208 29.700 -0.718 0.000 0.757 284 E HN 0.403 nan 8.360 nan 0.000 0.508 285 F N -0.849 119.083 119.950 -0.030 0.000 2.653 285 F HA -0.001 4.528 4.527 0.003 0.000 0.288 285 F C 2.169 177.894 175.800 -0.124 0.000 1.121 285 F CA 0.272 58.232 58.000 -0.067 0.000 1.384 285 F CB -0.150 38.818 39.000 -0.055 0.000 1.115 285 F HN -0.119 nan 8.300 nan 0.000 0.599 286 V N -2.218 117.723 119.914 0.045 0.000 3.660 286 V HA 0.546 4.668 4.120 0.003 0.000 0.276 286 V C 1.021 177.071 176.094 -0.073 0.000 1.317 286 V CA -0.183 62.069 62.300 -0.081 0.000 1.097 286 V CB -1.115 30.723 31.823 0.025 0.000 0.863 286 V HN 0.054 nan 8.190 nan 0.000 0.438 287 A N 0.982 123.779 122.820 -0.039 0.000 2.520 287 A HA 0.518 4.840 4.320 0.003 0.000 0.245 287 A C 1.607 179.157 177.584 -0.056 0.000 1.072 287 A CA 0.864 52.882 52.037 -0.033 0.000 0.761 287 A CB -0.601 18.379 19.000 -0.033 0.000 1.004 287 A HN 1.935 nan 8.150 nan 0.000 0.499 288 G N 1.037 109.810 108.800 -0.045 0.000 2.213 288 G HA2 -0.248 3.714 3.960 0.003 0.000 0.236 288 G HA3 -0.248 3.714 3.960 0.003 0.000 0.236 288 G C 0.775 175.632 174.900 -0.070 0.000 0.991 288 G CA 0.435 45.504 45.100 -0.051 0.000 0.629 288 G HN 0.748 nan 8.290 nan 0.000 0.517 289 L N 0.240 121.398 121.223 -0.108 0.000 2.209 289 L HA 0.208 4.550 4.340 0.003 0.000 0.207 289 L C 2.678 179.535 176.870 -0.023 0.000 1.094 289 L CA 1.386 56.136 54.840 -0.151 0.000 0.790 289 L CB -0.375 41.437 42.059 -0.412 0.000 0.932 289 L HN 0.216 nan 8.230 nan 0.000 0.447 290 K N 1.354 121.787 120.400 0.054 0.000 2.103 290 K HA -0.190 4.132 4.320 0.003 0.000 0.207 290 K C 1.804 178.431 176.600 0.045 0.000 1.048 290 K CA 1.401 57.746 56.287 0.096 0.000 0.930 290 K CB 0.073 32.631 32.500 0.096 0.000 0.716 290 K HN 0.321 nan 8.250 nan 0.000 0.444 291 K N 0.362 120.771 120.400 0.015 0.000 2.519 291 K HA -0.086 4.236 4.320 0.003 0.000 0.196 291 K C 1.419 178.017 176.600 -0.002 0.000 1.041 291 K CA 0.616 56.906 56.287 0.005 0.000 0.954 291 K CB 0.048 32.545 32.500 -0.006 0.000 0.774 291 K HN 0.234 nan 8.250 nan 0.000 0.480 292 L N 0.379 121.593 121.223 -0.015 0.000 2.640 292 L HA 0.119 4.461 4.340 0.003 0.000 0.230 292 L C 0.610 177.472 176.870 -0.013 0.000 1.123 292 L CA -0.106 54.717 54.840 -0.030 0.000 0.900 292 L CB 0.717 42.733 42.059 -0.072 0.000 1.146 292 L HN 0.011 nan 8.230 nan 0.000 0.484 293 T N -1.675 112.891 114.554 0.020 0.000 2.916 293 T HA 0.240 4.592 4.350 0.003 0.000 0.305 293 T C 0.885 175.638 174.700 0.089 0.000 1.119 293 T CA -0.065 62.080 62.100 0.075 0.000 1.008 293 T CB 1.719 70.648 68.868 0.101 0.000 1.129 293 T HN 0.158 nan 8.240 nan 0.000 0.480 294 T N 0.488 115.102 114.554 0.100 0.000 3.081 294 T HA 0.275 4.627 4.350 0.003 0.000 0.255 294 T C 0.635 175.390 174.700 0.092 0.000 1.113 294 T CA -0.050 62.097 62.100 0.079 0.000 1.082 294 T CB 0.017 68.921 68.868 0.060 0.000 0.939 294 T HN 0.319 nan 8.240 nan 0.000 0.506 295 K N 2.856 123.342 120.400 0.142 0.000 2.219 295 K HA 0.355 4.677 4.320 0.003 0.000 0.258 295 K C -2.511 174.155 176.600 0.110 0.000 1.008 295 K CA -2.844 53.520 56.287 0.127 0.000 0.928 295 K CB -0.162 32.436 32.500 0.164 0.000 0.983 295 K HN 0.178 nan 8.250 nan 0.000 0.484 296 P HA 0.071 nan 4.420 nan 0.000 0.269 296 P C -0.543 176.764 177.300 0.012 0.000 1.215 296 P CA -0.225 62.893 63.100 0.029 0.000 0.780 296 P CB 0.523 32.230 31.700 0.012 0.000 0.898 297 V N 2.697 122.599 119.914 -0.020 0.000 2.577 297 V HA 0.259 4.381 4.120 0.003 0.000 0.303 297 V C 0.093 176.119 176.094 -0.114 0.000 1.042 297 V CA -0.656 61.594 62.300 -0.083 0.000 0.872 297 V CB 2.274 34.118 31.823 0.035 0.000 0.998 297 V HN 0.249 nan 8.190 nan 0.000 0.423 298 V N 2.918 122.704 119.914 -0.214 0.000 2.732 298 V HA 1.022 5.144 4.120 0.003 0.000 0.310 298 V C 0.557 176.640 176.094 -0.019 0.000 1.053 298 V CA -0.284 61.897 62.300 -0.197 0.000 0.957 298 V CB 1.644 33.163 31.823 -0.507 0.000 1.018 298 V HN 1.014 nan 8.190 nan 0.000 0.452 299 G N 0.919 109.783 108.800 0.107 0.000 2.704 299 G HA2 0.705 4.667 3.960 0.003 0.000 0.293 299 G HA3 0.705 4.667 3.960 0.003 0.000 0.293 299 G C -1.245 173.879 174.900 0.373 0.000 1.421 299 G CA -0.268 44.984 45.100 0.254 0.000 0.870 299 G HN 1.177 nan 8.290 nan 0.000 0.492 300 V N -1.459 118.633 119.914 0.296 0.000 2.919 300 V HA 1.015 5.137 4.120 0.003 0.000 0.316 300 V C 0.477 176.411 176.094 -0.267 0.000 1.077 300 V CA -0.273 62.121 62.300 0.158 0.000 0.977 300 V CB 1.906 33.787 31.823 0.097 0.000 1.039 300 V HN 1.736 nan 8.190 nan 0.000 0.441 301 G N 1.398 109.597 108.800 -1.001 0.000 5.542 301 G HA2 0.248 4.210 3.960 0.003 0.000 0.207 301 G HA3 0.248 4.210 3.960 0.003 0.000 0.207 301 G C 0.327 174.769 174.900 -0.763 0.000 0.764 301 G CA -0.122 44.319 45.100 -1.099 0.000 0.692 301 G HN 1.070 nan 8.290 nan 0.000 0.330 302 R N -0.402 119.856 120.500 -0.404 0.000 3.322 302 R HA -0.194 4.148 4.340 0.003 0.000 0.253 302 R C -0.666 175.586 176.300 -0.080 0.000 0.987 302 R CA 0.036 56.044 56.100 -0.152 0.000 0.666 302 R CB -1.701 28.562 30.300 -0.060 0.000 1.072 302 R HN 0.225 nan 8.270 nan 0.000 0.447 303 F N 0.064 120.097 119.950 0.138 0.000 2.487 303 F HA 0.050 4.578 4.527 0.003 0.000 0.364 303 F C 1.893 177.794 175.800 0.169 0.000 1.126 303 F CA 0.854 58.943 58.000 0.148 0.000 1.135 303 F CB 1.041 40.137 39.000 0.159 0.000 1.127 303 F HN 0.169 nan 8.300 nan 0.000 0.559 304 T N -2.439 112.308 114.554 0.322 0.000 2.959 304 T HA 0.095 4.447 4.350 0.003 0.000 0.254 304 T C 0.720 175.542 174.700 0.204 0.000 1.003 304 T CA -0.079 62.166 62.100 0.241 0.000 0.950 304 T CB 0.110 69.080 68.868 0.169 0.000 1.090 304 T HN 0.351 nan 8.240 nan 0.000 0.503 305 S N 2.934 118.761 115.700 0.212 0.000 2.430 305 S HA 0.389 4.861 4.470 0.003 0.000 0.289 305 S C -1.849 172.838 174.600 0.145 0.000 1.143 305 S CA -1.589 56.708 58.200 0.162 0.000 1.067 305 S CB 1.118 64.414 63.200 0.161 0.000 0.964 305 S HN 0.011 nan 8.310 nan 0.000 0.485 306 P HA -0.065 nan 4.420 nan 0.000 0.218 306 P C 0.739 178.154 177.300 0.192 0.000 1.149 306 P CA 0.843 63.985 63.100 0.071 0.000 0.817 306 P CB 0.158 31.745 31.700 -0.189 0.000 0.785 307 D N -0.433 120.101 120.400 0.224 0.000 2.117 307 D HA -0.112 4.530 4.640 0.003 0.000 0.197 307 D C 2.032 178.404 176.300 0.120 0.000 0.987 307 D CA 1.526 55.655 54.000 0.216 0.000 0.829 307 D CB -0.686 40.221 40.800 0.179 0.000 0.961 307 D HN 0.051 nan 8.370 nan 0.000 0.460 308 A N 0.701 123.587 122.820 0.111 0.000 1.940 308 A HA -0.196 4.126 4.320 0.003 0.000 0.219 308 A C 2.262 179.817 177.584 -0.050 0.000 1.176 308 A CA 1.492 53.580 52.037 0.085 0.000 0.631 308 A CB -0.550 18.565 19.000 0.191 0.000 0.814 308 A HN 0.173 nan 8.150 nan 0.000 0.446 309 M N -0.919 118.628 119.600 -0.089 0.000 2.132 309 M HA -0.104 4.378 4.480 0.003 0.000 0.263 309 M C 1.994 178.204 176.300 -0.151 0.000 1.065 309 M CA 1.302 56.455 55.300 -0.245 0.000 1.122 309 M CB -0.341 32.147 32.600 -0.187 0.000 1.365 309 M HN 0.211 nan 8.290 nan 0.000 0.411 310 V N 0.080 119.983 119.914 -0.018 0.000 2.515 310 V HA -0.229 3.893 4.120 0.003 0.000 0.250 310 V C 2.348 178.425 176.094 -0.029 0.000 1.058 310 V CA 1.647 63.948 62.300 0.001 0.000 1.064 310 V CB -0.881 30.984 31.823 0.069 0.000 0.675 310 V HN 0.451 nan 8.190 nan 0.000 0.461 311 R N -0.205 120.281 120.500 -0.024 0.000 2.066 311 R HA -0.148 4.194 4.340 0.003 0.000 0.232 311 R C 2.506 178.782 176.300 -0.040 0.000 1.131 311 R CA 1.330 57.419 56.100 -0.018 0.000 0.955 311 R CB -0.176 30.129 30.300 0.009 0.000 0.851 311 R HN 0.461 nan 8.270 nan 0.000 0.432 312 Q N 0.488 120.236 119.800 -0.087 0.000 2.096 312 Q HA -0.218 4.124 4.340 0.003 0.000 0.208 312 Q C 2.111 178.064 176.000 -0.078 0.000 0.993 312 Q CA 1.462 57.206 55.803 -0.099 0.000 0.862 312 Q CB -0.260 28.332 28.738 -0.243 0.000 0.915 312 Q HN 0.401 nan 8.270 nan 0.000 0.416 313 I N 0.811 121.321 120.570 -0.100 0.000 2.233 313 I HA -0.167 4.005 4.170 0.003 0.000 0.243 313 I C 2.114 178.206 176.117 -0.042 0.000 1.093 313 I CA 1.078 62.333 61.300 -0.076 0.000 1.380 313 I CB -0.944 36.998 38.000 -0.097 0.000 1.067 313 I HN 0.151 nan 8.210 nan 0.000 0.413 314 K N 1.049 121.427 120.400 -0.036 0.000 2.148 314 K HA 0.004 4.326 4.320 0.003 0.000 0.204 314 K C 1.802 178.394 176.600 -0.013 0.000 1.050 314 K CA 1.248 57.523 56.287 -0.021 0.000 0.942 314 K CB -0.101 32.389 32.500 -0.018 0.000 0.724 314 K HN 0.266 nan 8.250 nan 0.000 0.446 315 A N 0.397 123.209 122.820 -0.012 0.000 2.238 315 A HA 0.225 4.547 4.320 0.003 0.000 0.208 315 A C 1.204 178.787 177.584 -0.001 0.000 1.177 315 A CA 0.788 52.822 52.037 -0.005 0.000 0.804 315 A CB -0.313 18.686 19.000 -0.001 0.000 0.823 315 A HN 0.374 nan 8.150 nan 0.000 0.482 316 G N -0.588 108.211 108.800 -0.002 0.000 2.198 316 G HA2 -0.295 3.667 3.960 0.003 0.000 0.260 316 G HA3 -0.295 3.667 3.960 0.003 0.000 0.260 316 G C 0.692 175.603 174.900 0.019 0.000 1.025 316 G CA 0.678 45.782 45.100 0.007 0.000 0.769 316 G HN 0.467 nan 8.290 nan 0.000 0.507 317 I N -0.872 119.709 120.570 0.018 0.000 2.296 317 I HA 0.222 4.394 4.170 0.003 0.000 0.242 317 I C 1.599 177.757 176.117 0.069 0.000 1.087 317 I CA 0.978 62.304 61.300 0.043 0.000 1.393 317 I CB -0.112 37.915 38.000 0.045 0.000 1.093 317 I HN 0.170 nan 8.210 nan 0.000 0.421 318 L N -0.437 120.805 121.223 0.032 0.000 2.279 318 L HA 0.339 4.681 4.340 0.003 0.000 0.262 318 L C 0.188 177.052 176.870 -0.011 0.000 1.019 318 L CA -0.560 54.297 54.840 0.028 0.000 0.823 318 L CB 1.767 43.825 42.059 -0.001 0.000 1.358 318 L HN -0.023 nan 8.230 nan 0.000 0.432 319 D N 0.196 120.585 120.400 -0.019 0.000 2.431 319 D HA 0.279 4.921 4.640 0.003 0.000 0.227 319 D C -0.108 176.150 176.300 -0.071 0.000 1.030 319 D CA 0.694 54.672 54.000 -0.036 0.000 0.897 319 D CB 1.167 41.959 40.800 -0.013 0.000 1.058 319 D HN 0.174 nan 8.370 nan 0.000 0.500 320 L N 1.469 122.644 121.223 -0.080 0.000 2.362 320 L HA 0.334 4.676 4.340 0.003 0.000 0.271 320 L C -0.482 176.325 176.870 -0.105 0.000 1.002 320 L CA -0.764 54.021 54.840 -0.091 0.000 0.818 320 L CB 2.856 44.877 42.059 -0.062 0.000 1.298 320 L HN -0.205 nan 8.230 nan 0.000 0.420 321 I N 2.370 122.842 120.570 -0.165 0.000 2.291 321 I HA 0.255 4.427 4.170 0.003 0.000 0.292 321 I C 0.811 177.037 176.117 0.181 0.000 1.064 321 I CA 0.041 61.258 61.300 -0.138 0.000 1.269 321 I CB 0.578 38.324 38.000 -0.424 0.000 1.418 321 I HN 0.605 nan 8.210 nan 0.000 0.485 322 G N 5.032 113.996 108.800 0.273 0.000 2.395 322 G HA2 0.650 4.612 3.960 0.003 0.000 0.283 322 G HA3 0.650 4.612 3.960 0.003 0.000 0.283 322 G C -0.720 174.441 174.900 0.436 0.000 1.178 322 G CA -0.313 45.002 45.100 0.359 0.000 0.837 322 G HN 0.766 nan 8.290 nan 0.000 0.518 323 A N 0.655 123.674 122.820 0.331 0.000 2.488 323 A HA 0.777 5.099 4.320 0.003 0.000 0.295 323 A C 0.346 177.917 177.584 -0.022 0.000 1.045 323 A CA 0.268 52.417 52.037 0.187 0.000 0.703 323 A CB 1.285 20.467 19.000 0.303 0.000 1.271 323 A HN 1.556 nan 8.150 nan 0.000 0.400 324 A N 1.986 124.801 122.820 -0.008 0.000 2.054 324 A HA 0.256 4.578 4.320 0.003 0.000 0.221 324 A C 1.799 179.241 177.584 -0.237 0.000 1.587 324 A CA 0.796 52.770 52.037 -0.106 0.000 0.664 324 A CB -0.462 18.507 19.000 -0.051 0.000 1.248 324 A HN 0.786 nan 8.150 nan 0.000 0.527 325 R N 0.011 120.425 120.500 -0.144 0.000 2.096 325 R HA -0.065 4.277 4.340 0.003 0.000 0.235 325 R C -0.853 175.411 176.300 -0.061 0.000 1.127 325 R CA 1.695 57.720 56.100 -0.125 0.000 0.968 325 R CB -1.295 28.977 30.300 -0.047 0.000 0.861 325 R HN 0.383 nan 8.270 nan 0.000 0.440 326 P HA -0.161 nan 4.420 nan 0.000 0.218 326 P C 1.234 178.600 177.300 0.110 0.000 1.148 326 P CA 1.652 64.819 63.100 0.111 0.000 0.822 326 P CB 0.013 31.858 31.700 0.243 0.000 0.784 327 S N -1.517 114.135 115.700 -0.080 0.000 2.461 327 S HA -0.045 4.427 4.470 0.003 0.000 0.228 327 S C 1.885 176.401 174.600 -0.140 0.000 1.005 327 S CA 0.626 58.672 58.200 -0.256 0.000 0.942 327 S CB -1.314 61.209 63.200 -1.127 0.000 0.776 327 S HN 0.039 nan 8.310 nan 0.000 0.514 328 I N 1.803 122.277 120.570 -0.160 0.000 2.333 328 I HA 0.017 4.189 4.170 0.003 0.000 0.246 328 I C 3.019 179.115 176.117 -0.034 0.000 1.106 328 I CA 0.962 62.193 61.300 -0.115 0.000 1.411 328 I CB -0.510 37.371 38.000 -0.199 0.000 1.082 328 I HN 0.423 nan 8.210 nan 0.000 0.420 329 A N -0.722 122.083 122.820 -0.025 0.000 1.930 329 A HA -0.173 4.149 4.320 0.003 0.000 0.217 329 A C 0.963 178.544 177.584 -0.004 0.000 1.175 329 A CA 1.558 53.584 52.037 -0.019 0.000 0.627 329 A CB -0.109 18.881 19.000 -0.017 0.000 0.815 329 A HN 0.371 nan 8.150 nan 0.000 0.443 330 D N -2.591 117.856 120.400 0.079 0.000 2.381 330 D HA 0.330 4.972 4.640 0.003 0.000 0.245 330 D C -2.398 174.090 176.300 0.312 0.000 1.297 330 D CA -1.640 52.447 54.000 0.145 0.000 0.931 330 D CB 1.194 42.066 40.800 0.121 0.000 1.334 330 D HN -0.107 nan 8.370 nan 0.000 0.535 331 P HA -0.070 nan 4.420 nan 0.000 0.218 331 P C 0.755 178.328 177.300 0.454 0.000 1.146 331 P CA 0.875 64.232 63.100 0.429 0.000 0.813 331 P CB 0.054 31.970 31.700 0.360 0.000 0.778 332 F N -1.620 118.430 119.950 0.167 0.000 2.713 332 F HA 0.215 4.743 4.527 0.003 0.000 0.294 332 F C 1.779 177.562 175.800 -0.028 0.000 1.152 332 F CA -0.259 57.780 58.000 0.065 0.000 1.385 332 F CB -0.989 38.053 39.000 0.071 0.000 0.981 332 F HN -0.156 nan 8.300 nan 0.000 0.514 333 L N 1.036 122.297 121.223 0.064 0.000 2.027 333 L HA -0.066 4.276 4.340 0.003 0.000 0.206 333 L C -0.615 175.999 176.870 -0.427 0.000 1.074 333 L CA 1.562 56.356 54.840 -0.076 0.000 0.745 333 L CB -1.044 41.073 42.059 0.098 0.000 0.898 333 L HN -0.014 nan 8.230 nan 0.000 0.433 334 P HA -0.119 nan 4.420 nan 0.000 0.215 334 P C 0.891 177.948 177.300 -0.404 0.000 1.157 334 P CA 1.446 63.807 63.100 -1.231 0.000 0.868 334 P CB -0.184 30.570 31.700 -1.577 0.000 0.788 335 N N -0.311 118.215 118.700 -0.290 0.000 2.149 335 N HA -0.135 4.607 4.740 0.003 0.000 0.188 335 N C 1.472 176.953 175.510 -0.048 0.000 1.019 335 N CA 1.159 54.144 53.050 -0.108 0.000 0.857 335 N CB -0.556 37.902 38.487 -0.049 0.000 0.997 335 N HN 0.271 nan 8.380 nan 0.000 0.426 336 K N 0.380 120.763 120.400 -0.028 0.000 2.057 336 K HA -0.004 4.318 4.320 0.003 0.000 0.207 336 K C 1.999 178.579 176.600 -0.033 0.000 1.049 336 K CA 0.826 57.115 56.287 0.002 0.000 0.931 336 K CB -0.127 32.396 32.500 0.039 0.000 0.714 336 K HN 0.188 nan 8.250 nan 0.000 0.440 337 I N 0.765 121.310 120.570 -0.042 0.000 2.252 337 I HA -0.256 3.916 4.170 0.003 0.000 0.245 337 I C 2.734 178.838 176.117 -0.021 0.000 1.102 337 I CA 0.973 62.270 61.300 -0.005 0.000 1.385 337 I CB -0.235 37.817 38.000 0.086 0.000 1.064 337 I HN 0.153 nan 8.210 nan 0.000 0.414 338 R N 1.192 121.613 120.500 -0.132 0.000 2.094 338 R HA -0.224 4.118 4.340 0.003 0.000 0.239 338 R C 1.560 177.671 176.300 -0.316 0.000 1.137 338 R CA 2.291 57.993 56.100 -0.664 0.000 0.943 338 R CB -0.282 29.600 30.300 -0.696 0.000 0.850 338 R HN 0.294 nan 8.270 nan 0.000 0.433 339 D N -1.139 119.161 120.400 -0.167 0.000 2.371 339 D HA 0.028 4.670 4.640 0.003 0.000 0.221 339 D C 0.946 177.217 176.300 -0.049 0.000 0.986 339 D CA 1.255 55.202 54.000 -0.089 0.000 0.899 339 D CB 0.219 40.994 40.800 -0.042 0.000 0.902 339 D HN 0.636 nan 8.370 nan 0.000 0.530 340 G N 1.243 110.018 108.800 -0.042 0.000 2.132 340 G HA2 -0.283 3.679 3.960 0.003 0.000 0.228 340 G HA3 -0.283 3.679 3.960 0.003 0.000 0.228 340 G C 0.432 175.333 174.900 0.002 0.000 1.000 340 G CA -0.410 44.689 45.100 -0.002 0.000 0.693 340 G HN 0.256 nan 8.290 nan 0.000 0.515 341 R N -0.002 120.495 120.500 -0.005 0.000 3.585 341 R HA 0.369 4.711 4.340 0.003 0.000 0.324 341 R C 1.390 177.698 176.300 0.012 0.000 1.372 341 R CA -0.593 55.513 56.100 0.010 0.000 1.291 341 R CB 0.039 30.351 30.300 0.020 0.000 1.470 341 R HN 0.266 nan 8.270 nan 0.000 0.633 342 L N 1.425 122.644 121.223 -0.006 0.000 2.261 342 L HA -0.213 4.129 4.340 0.003 0.000 0.216 342 L C 2.072 178.959 176.870 0.028 0.000 1.114 342 L CA 1.487 56.317 54.840 -0.017 0.000 0.777 342 L CB -0.511 41.512 42.059 -0.061 0.000 0.910 342 L HN 0.401 nan 8.230 nan 0.000 0.440 343 N N -0.631 118.090 118.700 0.036 0.000 2.494 343 N HA -0.121 4.621 4.740 0.003 0.000 0.182 343 N C 1.379 176.929 175.510 0.067 0.000 1.076 343 N CA 0.832 53.909 53.050 0.045 0.000 0.908 343 N CB -0.241 38.261 38.487 0.025 0.000 0.967 343 N HN 0.380 nan 8.380 nan 0.000 0.449 344 L N 0.494 121.770 121.223 0.088 0.000 2.607 344 L HA 0.352 4.694 4.340 0.003 0.000 0.228 344 L C 0.521 177.552 176.870 0.269 0.000 1.123 344 L CA -0.174 54.760 54.840 0.157 0.000 0.890 344 L CB 0.094 42.225 42.059 0.120 0.000 1.103 344 L HN -0.018 nan 8.230 nan 0.000 0.468 345 I N 0.871 121.550 120.570 0.182 0.000 2.588 345 I HA 0.001 4.173 4.170 0.003 0.000 0.283 345 I C 0.757 176.968 176.117 0.157 0.000 1.119 345 I CA 0.128 61.514 61.300 0.144 0.000 1.419 345 I CB 0.593 38.651 38.000 0.097 0.000 1.394 345 I HN 0.129 nan 8.210 nan 0.000 0.562 346 R N 6.165 126.658 120.500 -0.011 0.000 2.230 346 R HA 0.221 4.563 4.340 0.003 0.000 0.337 346 R C -0.515 175.759 176.300 -0.045 0.000 1.063 346 R CA -0.404 55.574 56.100 -0.203 0.000 0.935 346 R CB 0.452 30.355 30.300 -0.660 0.000 1.121 346 R HN 0.583 nan 8.270 nan 0.000 0.486 347 E N 2.627 122.845 120.200 0.031 0.000 2.331 347 E HA 0.029 4.381 4.350 0.003 0.000 0.272 347 E C -0.270 176.354 176.600 0.039 0.000 1.036 347 E CA -0.508 55.930 56.400 0.063 0.000 0.864 347 E CB 1.331 31.086 29.700 0.091 0.000 1.035 347 E HN 0.532 nan 8.360 nan 0.000 0.408 348 C N 3.926 123.255 119.300 0.049 0.000 2.611 348 C HA 0.018 4.480 4.460 0.003 0.000 0.416 348 C C 1.739 176.748 174.990 0.031 0.000 1.366 348 C CA -0.164 58.869 59.018 0.025 0.000 1.761 348 C CB -1.104 26.657 27.740 0.035 0.000 2.619 348 C HN 0.874 nan 8.230 nan 0.000 0.606 349 I N 3.276 123.840 120.570 -0.009 0.000 3.793 349 I HA 0.333 4.505 4.170 0.003 0.000 0.315 349 I C 1.362 177.517 176.117 0.063 0.000 1.275 349 I CA 0.664 61.972 61.300 0.013 0.000 1.214 349 I CB -0.717 37.209 38.000 -0.122 0.000 1.018 349 I HN 0.945 nan 8.210 nan 0.000 0.439 350 G N 2.241 111.065 108.800 0.040 0.000 2.272 350 G HA2 -0.311 3.651 3.960 0.003 0.000 0.280 350 G HA3 -0.311 3.651 3.960 0.003 0.000 0.280 350 G C 0.714 175.684 174.900 0.117 0.000 1.067 350 G CA 0.364 45.517 45.100 0.088 0.000 0.902 350 G HN 0.816 nan 8.290 nan 0.000 0.500 351 C N -2.219 117.079 119.300 -0.003 0.000 2.551 351 C HA 0.370 4.832 4.460 0.003 0.000 0.277 351 C C 1.735 176.784 174.990 0.099 0.000 1.349 351 C CA 0.800 59.807 59.018 -0.019 0.000 1.750 351 C CB -0.332 27.198 27.740 -0.351 0.000 2.058 351 C HN 0.964 nan 8.230 nan 0.000 0.518 352 N N -0.008 118.732 118.700 0.067 0.000 2.948 352 N HA -0.142 4.600 4.740 0.003 0.000 0.239 352 N C 0.473 176.030 175.510 0.079 0.000 0.954 352 N CA 1.030 54.129 53.050 0.081 0.000 0.941 352 N CB -1.587 36.965 38.487 0.108 0.000 1.101 352 N HN 0.560 nan 8.380 nan 0.000 0.579 353 I N 0.279 120.901 120.570 0.087 0.000 2.399 353 I HA -0.315 3.857 4.170 0.003 0.000 0.254 353 I C 2.501 178.667 176.117 0.081 0.000 1.146 353 I CA 1.737 63.111 61.300 0.124 0.000 1.412 353 I CB -1.171 36.888 38.000 0.098 0.000 1.076 353 I HN 0.559 nan 8.210 nan 0.000 0.432 354 C N -0.685 118.644 119.300 0.049 0.000 2.436 354 C HA -0.089 4.373 4.460 0.003 0.000 0.277 354 C C 2.741 177.774 174.990 0.072 0.000 1.241 354 C CA 0.137 59.182 59.018 0.045 0.000 1.721 354 C CB -1.623 26.125 27.740 0.015 0.000 2.043 354 C HN 0.281 nan 8.230 nan 0.000 0.472 355 V N 2.065 122.029 119.914 0.083 0.000 2.317 355 V HA -0.271 3.851 4.120 0.003 0.000 0.251 355 V C 3.086 179.186 176.094 0.009 0.000 1.065 355 V CA 2.670 65.027 62.300 0.095 0.000 1.049 355 V CB -1.187 30.632 31.823 -0.006 0.000 0.651 355 V HN 0.805 nan 8.190 nan 0.000 0.450 356 S N 0.496 116.167 115.700 -0.048 0.000 2.402 356 S HA -0.178 4.294 4.470 0.003 0.000 0.233 356 S C 2.069 176.662 174.600 -0.011 0.000 1.030 356 S CA 1.867 59.994 58.200 -0.122 0.000 1.003 356 S CB -0.653 62.508 63.200 -0.065 0.000 0.813 356 S HN 0.657 nan 8.310 nan 0.000 0.477 357 G N 0.556 109.383 108.800 0.044 0.000 2.440 357 G HA2 -0.260 3.702 3.960 0.003 0.000 0.218 357 G HA3 -0.260 3.702 3.960 0.003 0.000 0.218 357 G C 1.216 176.162 174.900 0.077 0.000 1.154 357 G CA 1.168 46.297 45.100 0.049 0.000 0.767 357 G HN 0.663 nan 8.290 nan 0.000 0.552 358 D N -0.201 120.282 120.400 0.140 0.000 2.117 358 D HA -0.051 4.591 4.640 0.003 0.000 0.198 358 D C 2.234 178.723 176.300 0.316 0.000 0.982 358 D CA 0.512 54.655 54.000 0.238 0.000 0.828 358 D CB -0.148 40.877 40.800 0.374 0.000 0.967 358 D HN 0.184 nan 8.370 nan 0.000 0.464 359 L N -0.318 121.036 121.223 0.217 0.000 2.552 359 L HA 0.119 4.461 4.340 0.003 0.000 0.227 359 L C 1.842 178.698 176.870 -0.022 0.000 1.146 359 L CA 1.165 56.122 54.840 0.194 0.000 0.858 359 L CB -0.221 41.802 42.059 -0.060 0.000 0.969 359 L HN 0.228 nan 8.230 nan 0.000 0.451 360 T N -6.013 108.529 114.554 -0.019 0.000 3.132 360 T HA 0.251 4.603 4.350 0.003 0.000 0.274 360 T C 0.629 175.309 174.700 -0.033 0.000 1.011 360 T CA -0.355 61.720 62.100 -0.042 0.000 0.899 360 T CB -0.108 68.765 68.868 0.008 0.000 1.089 360 T HN -0.009 nan 8.240 nan 0.000 0.543 361 M N 1.326 120.917 119.600 -0.015 0.000 2.249 361 M HA -0.152 4.330 4.480 0.003 0.000 0.198 361 M C -0.401 175.874 176.300 -0.042 0.000 0.394 361 M CA 0.487 55.769 55.300 -0.030 0.000 0.427 361 M CB -2.635 29.920 32.600 -0.076 0.000 1.307 361 M HN 0.330 nan 8.290 nan 0.000 0.924 362 S N -1.193 114.492 115.700 -0.025 0.000 2.536 362 S HA 0.770 5.242 4.470 0.003 0.000 0.287 362 S C -2.466 172.108 174.600 -0.044 0.000 1.101 362 S CA -1.504 56.670 58.200 -0.045 0.000 0.950 362 S CB 2.122 65.298 63.200 -0.040 0.000 1.056 362 S HN 0.038 nan 8.310 nan 0.000 0.481 363 P HA 0.046 nan 4.420 nan 0.000 0.261 363 P C -0.036 177.238 177.300 -0.044 0.000 1.173 363 P CA -0.099 62.964 63.100 -0.062 0.000 0.760 363 P CB -0.245 31.397 31.700 -0.096 0.000 0.783 364 I N 1.026 121.590 120.570 -0.009 0.000 2.692 364 I HA 0.233 4.405 4.170 0.003 0.000 0.284 364 I C 0.338 176.455 176.117 -0.001 0.000 1.159 364 I CA -0.200 61.107 61.300 0.011 0.000 1.423 364 I CB 0.453 38.477 38.000 0.039 0.000 1.380 364 I HN 0.229 nan 8.210 nan 0.000 0.580 365 R N 4.501 125.002 120.500 0.002 0.000 2.758 365 R HA 0.703 5.045 4.340 0.003 0.000 0.265 365 R C -1.175 175.141 176.300 0.026 0.000 1.016 365 R CA -0.712 55.393 56.100 0.008 0.000 1.040 365 R CB 1.868 32.155 30.300 -0.023 0.000 1.152 365 R HN 0.830 nan 8.270 nan 0.000 0.503 366 C N 0.662 119.988 119.300 0.042 0.000 2.547 366 C HA 0.305 4.767 4.460 0.003 0.000 0.313 366 C C 1.673 176.676 174.990 0.022 0.000 1.191 366 C CA -0.364 58.665 59.018 0.018 0.000 1.474 366 C CB 1.481 29.227 27.740 0.011 0.000 2.081 366 C HN 0.965 nan 8.230 nan 0.000 0.476 367 T N 2.160 116.699 114.554 -0.026 0.000 2.720 367 T HA -0.160 4.192 4.350 0.003 0.000 0.268 367 T C 1.696 176.384 174.700 -0.020 0.000 1.037 367 T CA 1.674 63.747 62.100 -0.046 0.000 1.144 367 T CB -0.079 68.689 68.868 -0.167 0.000 0.864 367 T HN 0.784 nan 8.240 nan 0.000 0.444 368 Q N 0.673 120.448 119.800 -0.041 0.000 2.096 368 Q HA 0.074 4.416 4.340 0.003 0.000 0.197 368 Q C 1.015 176.994 176.000 -0.035 0.000 0.964 368 Q CA 0.717 56.489 55.803 -0.052 0.000 0.838 368 Q CB -0.192 28.489 28.738 -0.095 0.000 0.906 368 Q HN 0.344 nan 8.270 nan 0.000 0.444 369 N N 1.281 119.980 118.700 -0.001 0.000 2.707 369 N HA 0.102 4.844 4.740 0.003 0.000 0.235 369 N C -2.137 173.452 175.510 0.131 0.000 1.028 369 N CA -2.053 51.016 53.050 0.032 0.000 0.906 369 N CB 1.278 39.773 38.487 0.013 0.000 1.131 369 N HN -0.124 nan 8.380 nan 0.000 0.509 370 P HA -0.049 nan 4.420 nan 0.000 0.237 370 P C 0.706 178.301 177.300 0.492 0.000 1.178 370 P CA 0.639 63.966 63.100 0.378 0.000 0.766 370 P CB 0.219 32.122 31.700 0.337 0.000 0.876 371 S N -1.651 114.268 115.700 0.364 0.000 2.527 371 S HA 0.070 4.542 4.470 0.003 0.000 0.222 371 S C 1.062 175.798 174.600 0.227 0.000 0.985 371 S CA -0.261 58.189 58.200 0.418 0.000 0.921 371 S CB -0.948 62.460 63.200 0.347 0.000 0.772 371 S HN -0.047 nan 8.310 nan 0.000 0.529 372 M N 2.993 122.692 119.600 0.165 0.000 2.390 372 M HA 0.395 4.877 4.480 0.003 0.000 0.353 372 M C 1.238 177.585 176.300 0.079 0.000 1.623 372 M CA 0.758 56.118 55.300 0.100 0.000 1.065 372 M CB -0.891 31.752 32.600 0.071 0.000 2.025 372 M HN 0.618 nan 8.290 nan 0.000 0.461 373 G N 3.670 112.496 108.800 0.043 0.000 2.194 373 G HA2 -0.185 3.777 3.960 0.003 0.000 0.236 373 G HA3 -0.185 3.777 3.960 0.003 0.000 0.236 373 G C 0.452 175.320 174.900 -0.054 0.000 0.987 373 G CA 0.281 45.375 45.100 -0.010 0.000 0.635 373 G HN 0.677 nan 8.290 nan 0.000 0.520 374 E N -0.062 120.110 120.200 -0.047 0.000 2.601 374 E HA 0.191 4.543 4.350 0.003 0.000 0.219 374 E C 1.688 178.227 176.600 -0.102 0.000 0.964 374 E CA 0.520 56.785 56.400 -0.226 0.000 1.050 374 E CB 0.320 29.674 29.700 -0.577 0.000 1.068 374 E HN 0.571 nan 8.360 nan 0.000 0.496 375 E N 0.665 120.901 120.200 0.060 0.000 2.023 375 E HA -0.189 4.163 4.350 0.003 0.000 0.196 375 E C 1.576 178.273 176.600 0.161 0.000 1.003 375 E CA 1.629 58.112 56.400 0.139 0.000 0.809 375 E CB -0.248 29.538 29.700 0.144 0.000 0.755 375 E HN 0.266 nan 8.360 nan 0.000 0.449 376 W N 2.082 123.382 121.300 -0.000 0.000 2.413 376 W HA -0.094 4.566 4.660 -0.000 0.000 0.315 376 W C 2.272 178.790 176.519 -0.001 0.000 1.186 376 W CA 1.954 59.304 57.345 0.008 0.000 1.326 376 W CB -0.058 29.403 29.460 0.001 0.000 1.153 376 W HN -0.067 nan 8.180 nan 0.000 0.489 377 R N 0.054 120.539 120.500 -0.024 0.000 2.235 377 R HA 0.071 4.413 4.340 0.003 0.000 0.213 377 R C 1.562 177.717 176.300 -0.241 0.000 1.059 377 R CA 1.390 57.338 56.100 -0.254 0.000 0.997 377 R CB -0.400 29.898 30.300 -0.004 0.000 0.884 377 R HN 0.194 nan 8.270 nan 0.000 0.462 378 R N -0.791 119.553 120.500 -0.260 0.000 2.541 378 R HA 0.177 4.519 4.340 0.003 0.000 0.332 378 R C 0.263 176.527 176.300 -0.061 0.000 0.951 378 R CA 0.352 56.302 56.100 -0.250 0.000 1.136 378 R CB 1.617 31.547 30.300 -0.615 0.000 1.449 378 R HN 0.431 nan 8.270 nan 0.000 0.531 379 G N 0.952 109.743 108.800 -0.016 0.000 2.143 379 G HA2 -0.227 3.735 3.960 0.003 0.000 0.248 379 G HA3 -0.227 3.735 3.960 0.003 0.000 0.248 379 G C -0.312 174.806 174.900 0.363 0.000 0.991 379 G CA 0.052 45.240 45.100 0.147 0.000 0.689 379 G HN 0.104 nan 8.290 nan 0.000 0.522 380 W N 0.103 121.434 121.300 0.052 0.000 2.161 380 W HA 0.722 5.384 4.660 0.004 0.000 0.344 380 W C 0.742 177.327 176.519 0.110 0.000 1.262 380 W CA -0.730 56.650 57.345 0.058 0.000 1.270 380 W CB 0.342 29.816 29.460 0.024 0.000 1.126 380 W HN 0.186 nan 8.180 nan 0.000 0.598 381 H N 2.885 122.089 119.070 0.224 0.000 2.768 381 H HA 0.204 4.762 4.556 0.003 0.000 0.371 381 H C -1.622 173.737 175.328 0.052 0.000 1.151 381 H CA -1.927 54.188 56.048 0.113 0.000 1.165 381 H CB 2.934 32.716 29.762 0.033 0.000 1.722 381 H HN -0.003 nan 8.280 nan 0.000 0.543 382 P HA -0.060 nan 4.420 nan 0.000 0.219 382 P C 0.665 177.938 177.300 -0.044 0.000 1.150 382 P CA 1.054 64.109 63.100 -0.075 0.000 0.814 382 P CB 0.916 32.572 31.700 -0.073 0.000 0.787 383 E N -0.695 119.493 120.200 -0.020 0.000 2.228 383 E HA 0.086 4.438 4.350 0.003 0.000 0.197 383 E C 0.847 177.433 176.600 -0.024 0.000 0.909 383 E CA 0.359 56.708 56.400 -0.085 0.000 0.911 383 E CB -0.078 29.373 29.700 -0.414 0.000 0.887 383 E HN 0.220 nan 8.360 nan 0.000 0.481 384 R N 1.719 122.219 120.500 -0.001 0.000 2.347 384 R HA 0.377 4.719 4.340 0.003 0.000 0.304 384 R C 0.377 176.637 176.300 -0.067 0.000 1.072 384 R CA 0.065 56.068 56.100 -0.161 0.000 0.980 384 R CB 0.434 30.486 30.300 -0.414 0.000 0.986 384 R HN 0.076 nan 8.270 nan 0.000 0.448 385 I N 2.484 123.003 120.570 -0.085 0.000 2.474 385 I HA 0.348 4.520 4.170 0.003 0.000 0.294 385 I C 0.919 176.990 176.117 -0.076 0.000 1.005 385 I CA -1.189 60.060 61.300 -0.087 0.000 1.113 385 I CB 1.864 39.797 38.000 -0.111 0.000 1.289 385 I HN 0.391 nan 8.210 nan 0.000 0.436 386 R N 4.682 125.148 120.500 -0.057 0.000 2.640 386 R HA 0.297 4.639 4.340 0.003 0.000 0.270 386 R C -0.076 176.193 176.300 -0.051 0.000 1.024 386 R CA -0.202 55.871 56.100 -0.045 0.000 1.085 386 R CB 0.701 30.989 30.300 -0.019 0.000 0.963 386 R HN 0.789 nan 8.270 nan 0.000 0.426 387 A N 4.128 126.907 122.820 -0.068 0.000 2.507 387 A HA 0.042 4.364 4.320 0.003 0.000 0.235 387 A C -0.104 177.399 177.584 -0.136 0.000 1.070 387 A CA 0.099 52.072 52.037 -0.106 0.000 0.768 387 A CB 0.114 19.055 19.000 -0.100 0.000 1.011 387 A HN 0.882 nan 8.150 nan 0.000 0.502 388 K N 0.969 121.187 120.400 -0.304 0.000 2.527 388 K HA -0.020 4.302 4.320 0.003 0.000 0.278 388 K C -0.291 176.176 176.600 -0.221 0.000 0.981 388 K CA 0.986 56.937 56.287 -0.561 0.000 1.009 388 K CB 0.431 32.230 32.500 -1.170 0.000 0.895 388 K HN 0.692 nan 8.250 nan 0.000 0.493 389 E N 0.548 120.733 120.200 -0.024 0.000 2.498 389 E HA 0.008 4.360 4.350 0.003 0.000 0.203 389 E C -0.382 176.251 176.600 0.055 0.000 1.013 389 E CA -0.135 56.282 56.400 0.029 0.000 0.927 389 E CB 0.822 30.558 29.700 0.061 0.000 1.012 389 E HN 0.763 nan 8.360 nan 0.000 0.482 390 S N -1.286 114.474 115.700 0.099 0.000 2.672 390 S HA 0.242 4.714 4.470 0.003 0.000 0.271 390 S C -0.759 173.918 174.600 0.129 0.000 1.171 390 S CA -0.901 57.376 58.200 0.128 0.000 0.817 390 S CB 1.230 64.540 63.200 0.185 0.000 1.150 390 S HN -0.129 nan 8.310 nan 0.000 0.478 391 D N 1.173 121.656 120.400 0.137 0.000 2.460 391 D HA 0.409 5.051 4.640 0.003 0.000 0.229 391 D C 0.700 177.131 176.300 0.218 0.000 1.170 391 D CA 0.133 54.207 54.000 0.123 0.000 0.827 391 D CB 0.518 41.362 40.800 0.074 0.000 0.973 391 D HN 0.739 nan 8.370 nan 0.000 0.496 392 A N 0.962 124.002 122.820 0.366 0.000 2.425 392 A HA 0.221 4.543 4.320 0.003 0.000 0.242 392 A C 0.603 178.382 177.584 0.324 0.000 1.077 392 A CA -0.120 52.139 52.037 0.369 0.000 0.781 392 A CB 0.558 19.793 19.000 0.393 0.000 1.020 392 A HN 0.206 nan 8.150 nan 0.000 0.494 393 R N 1.406 122.071 120.500 0.276 0.000 2.338 393 R HA 0.558 4.900 4.340 0.003 0.000 0.317 393 R C -1.715 174.714 176.300 0.214 0.000 0.968 393 R CA -0.353 55.876 56.100 0.214 0.000 0.849 393 R CB 1.064 31.477 30.300 0.188 0.000 1.128 393 R HN 0.483 nan 8.270 nan 0.000 0.448 394 V N 5.898 125.854 119.914 0.071 0.000 2.495 394 V HA 0.355 4.477 4.120 0.003 0.000 0.298 394 V C -0.609 175.444 176.094 -0.068 0.000 1.031 394 V CA -1.007 61.258 62.300 -0.058 0.000 0.871 394 V CB 1.469 33.043 31.823 -0.416 0.000 0.988 394 V HN 0.635 nan 8.190 nan 0.000 0.432 395 L N 6.261 127.405 121.223 -0.131 0.000 2.275 395 L HA 0.699 5.041 4.340 0.003 0.000 0.288 395 L C -0.499 176.212 176.870 -0.264 0.000 1.046 395 L CA 0.178 54.802 54.840 -0.360 0.000 0.805 395 L CB 1.570 43.127 42.059 -0.837 0.000 1.193 395 L HN 0.462 nan 8.230 nan 0.000 0.426 396 V N 6.172 125.945 119.914 -0.235 0.000 2.407 396 V HA 0.404 4.526 4.120 0.003 0.000 0.291 396 V C -0.444 175.556 176.094 -0.157 0.000 1.018 396 V CA -0.688 61.508 62.300 -0.174 0.000 0.842 396 V CB 1.748 33.481 31.823 -0.149 0.000 0.996 396 V HN 0.526 nan 8.190 nan 0.000 0.426 397 V N 4.011 123.846 119.914 -0.133 0.000 2.364 397 V HA 0.880 5.002 4.120 0.003 0.000 0.272 397 V C 0.648 176.707 176.094 -0.060 0.000 1.036 397 V CA 0.229 62.466 62.300 -0.104 0.000 0.880 397 V CB 0.714 32.483 31.823 -0.090 0.000 0.991 397 V HN 1.251 nan 8.190 nan 0.000 0.460 398 G N 4.023 112.795 108.800 -0.048 0.000 3.367 398 G HA2 0.309 4.271 3.960 0.003 0.000 0.686 398 G HA3 0.309 4.271 3.960 0.003 0.000 0.686 398 G C -0.243 174.639 174.900 -0.030 0.000 1.146 398 G CA -0.324 44.760 45.100 -0.027 0.000 0.913 398 G HN 1.466 nan 8.290 nan 0.000 0.554 399 A N 1.812 124.620 122.820 -0.021 0.000 3.003 399 A HA 0.784 5.106 4.320 0.003 0.000 0.301 399 A C 1.355 178.932 177.584 -0.011 0.000 1.280 399 A CA 1.056 53.080 52.037 -0.022 0.000 0.973 399 A CB -0.212 18.775 19.000 -0.023 0.000 1.110 399 A HN 2.060 nan 8.150 nan 0.000 0.590 400 G N 0.156 108.954 108.800 -0.004 0.000 2.508 400 G HA2 0.434 4.396 3.960 0.003 0.000 0.278 400 G HA3 0.434 4.396 3.960 0.003 0.000 0.278 400 G C -1.006 173.904 174.900 0.016 0.000 1.389 400 G CA -0.828 44.276 45.100 0.008 0.000 1.050 400 G HN 0.135 nan 8.290 nan 0.000 0.522 401 P HA -0.128 nan 4.420 nan 0.000 0.215 401 P C 2.134 179.454 177.300 0.034 0.000 1.153 401 P CA 1.687 64.813 63.100 0.043 0.000 0.853 401 P CB -0.019 31.718 31.700 0.061 0.000 0.788 402 S N -0.418 115.302 115.700 0.033 0.000 2.365 402 S HA -0.133 4.339 4.470 0.003 0.000 0.221 402 S C 2.244 176.834 174.600 -0.016 0.000 1.037 402 S CA 2.042 60.255 58.200 0.022 0.000 1.060 402 S CB -1.376 61.839 63.200 0.025 0.000 0.974 402 S HN 0.272 nan 8.310 nan 0.000 0.427 403 G N 0.855 109.640 108.800 -0.024 0.000 2.421 403 G HA2 -0.041 3.921 3.960 0.003 0.000 0.217 403 G HA3 -0.041 3.921 3.960 0.003 0.000 0.217 403 G C 1.436 176.302 174.900 -0.057 0.000 1.143 403 G CA 0.497 45.567 45.100 -0.051 0.000 0.784 403 G HN 0.482 nan 8.290 nan 0.000 0.541 404 L N 0.021 121.222 121.223 -0.036 0.000 2.046 404 L HA -0.056 4.286 4.340 0.003 0.000 0.208 404 L C 2.787 179.632 176.870 -0.042 0.000 1.077 404 L CA 1.590 56.408 54.840 -0.037 0.000 0.747 404 L CB -0.163 41.887 42.059 -0.014 0.000 0.896 404 L HN 0.284 nan 8.230 nan 0.000 0.432 405 E N 0.228 120.411 120.200 -0.029 0.000 2.112 405 E HA -0.113 4.239 4.350 0.003 0.000 0.190 405 E C 2.059 178.606 176.600 -0.089 0.000 0.979 405 E CA 1.166 57.547 56.400 -0.033 0.000 0.814 405 E CB -0.006 29.691 29.700 -0.004 0.000 0.762 405 E HN 0.322 nan 8.360 nan 0.000 0.460 406 A N 1.024 123.780 122.820 -0.107 0.000 1.908 406 A HA -0.087 4.235 4.320 0.003 0.000 0.218 406 A C 2.457 179.945 177.584 -0.159 0.000 1.181 406 A CA 2.191 54.135 52.037 -0.155 0.000 0.627 406 A CB -1.083 17.822 19.000 -0.160 0.000 0.818 406 A HN 0.400 nan 8.150 nan 0.000 0.445 407 A N -0.562 122.181 122.820 -0.129 0.000 1.898 407 A HA -0.121 4.201 4.320 0.003 0.000 0.216 407 A C 2.283 179.803 177.584 -0.107 0.000 1.181 407 A CA 1.584 53.548 52.037 -0.122 0.000 0.620 407 A CB -0.479 18.462 19.000 -0.099 0.000 0.819 407 A HN 0.545 nan 8.150 nan 0.000 0.442 408 R N -0.240 120.200 120.500 -0.099 0.000 2.075 408 R HA -0.056 4.286 4.340 0.003 0.000 0.232 408 R C 2.246 178.492 176.300 -0.091 0.000 1.126 408 R CA 1.432 57.474 56.100 -0.097 0.000 0.963 408 R CB -0.400 29.843 30.300 -0.096 0.000 0.858 408 R HN 0.406 nan 8.270 nan 0.000 0.435 409 A N 1.340 124.097 122.820 -0.106 0.000 1.873 409 A HA -0.089 4.233 4.320 0.003 0.000 0.215 409 A C 2.268 179.794 177.584 -0.096 0.000 1.186 409 A CA 1.022 52.986 52.037 -0.122 0.000 0.616 409 A CB -0.532 18.356 19.000 -0.187 0.000 0.823 409 A HN 0.335 nan 8.150 nan 0.000 0.442 410 L N -0.571 120.586 121.223 -0.109 0.000 2.083 410 L HA -0.125 4.217 4.340 0.003 0.000 0.209 410 L C 2.825 179.716 176.870 0.035 0.000 1.083 410 L CA 0.991 55.805 54.840 -0.043 0.000 0.752 410 L CB -0.755 41.178 42.059 -0.209 0.000 0.899 410 L HN 0.504 nan 8.230 nan 0.000 0.433 411 G N -0.513 108.268 108.800 -0.032 0.000 2.446 411 G HA2 -0.228 3.734 3.960 0.003 0.000 0.217 411 G HA3 -0.228 3.734 3.960 0.003 0.000 0.217 411 G C 1.527 176.405 174.900 -0.038 0.000 1.168 411 G CA 0.941 46.023 45.100 -0.031 0.000 0.771 411 G HN 0.220 nan 8.290 nan 0.000 0.551 412 V N 0.431 120.315 119.914 -0.051 0.000 2.970 412 V HA -0.051 4.071 4.120 0.003 0.000 0.260 412 V C 2.774 178.829 176.094 -0.065 0.000 1.100 412 V CA 1.369 63.633 62.300 -0.059 0.000 1.122 412 V CB -0.352 31.434 31.823 -0.062 0.000 0.721 412 V HN 0.348 nan 8.190 nan 0.000 0.483 413 R N -0.241 120.228 120.500 -0.051 0.000 2.161 413 R HA 0.184 4.526 4.340 0.003 0.000 0.213 413 R C 1.808 177.996 176.300 -0.188 0.000 1.055 413 R CA 0.879 56.926 56.100 -0.088 0.000 0.996 413 R CB 0.105 30.410 30.300 0.008 0.000 0.901 413 R HN 0.546 nan 8.270 nan 0.000 0.456 414 G N -0.702 108.011 108.800 -0.146 0.000 2.205 414 G HA2 -0.232 3.730 3.960 0.003 0.000 0.180 414 G HA3 -0.232 3.730 3.960 0.003 0.000 0.180 414 G C -0.217 174.592 174.900 -0.151 0.000 1.004 414 G CA -0.620 44.386 45.100 -0.157 0.000 0.670 414 G HN 0.133 nan 8.290 nan 0.000 0.496 415 Y N 1.823 122.093 120.300 -0.050 0.000 2.652 415 Y HA 0.305 4.857 4.550 0.003 0.000 0.344 415 Y C 1.047 176.923 175.900 -0.041 0.000 1.254 415 Y CA 0.212 58.284 58.100 -0.047 0.000 1.480 415 Y CB 0.441 38.839 38.460 -0.102 0.000 1.345 415 Y HN 0.064 nan 8.280 nan 0.000 0.617 416 D N 1.633 122.140 120.400 0.180 0.000 2.312 416 D HA 0.331 4.973 4.640 0.003 0.000 0.252 416 D C -1.115 175.240 176.300 0.092 0.000 1.150 416 D CA 0.204 54.270 54.000 0.110 0.000 0.870 416 D CB 1.032 41.899 40.800 0.112 0.000 1.153 416 D HN 0.172 nan 8.370 nan 0.000 0.457 417 V N 3.064 123.012 119.914 0.056 0.000 2.789 417 V HA 0.364 4.486 4.120 0.003 0.000 0.311 417 V C -0.033 176.086 176.094 0.040 0.000 1.073 417 V CA -0.867 61.439 62.300 0.011 0.000 0.921 417 V CB 2.373 34.172 31.823 -0.040 0.000 1.009 417 V HN 0.238 nan 8.190 nan 0.000 0.426 418 V N 5.014 124.944 119.914 0.027 0.000 2.444 418 V HA 0.486 4.608 4.120 0.003 0.000 0.294 418 V C -0.754 175.311 176.094 -0.049 0.000 1.022 418 V CA -0.546 61.785 62.300 0.052 0.000 0.850 418 V CB 1.747 33.645 31.823 0.125 0.000 0.992 418 V HN 0.657 nan 8.190 nan 0.000 0.426 419 L N 5.453 126.674 121.223 -0.003 0.000 2.276 419 L HA 0.860 5.202 4.340 0.003 0.000 0.286 419 L C 0.237 177.112 176.870 0.009 0.000 1.024 419 L CA -0.194 54.623 54.840 -0.038 0.000 0.826 419 L CB 0.909 42.942 42.059 -0.043 0.000 1.211 419 L HN 0.738 nan 8.230 nan 0.000 0.422 420 A N 4.083 126.871 122.820 -0.053 0.000 2.305 420 A HA 0.758 5.080 4.320 0.003 0.000 0.322 420 A C -0.721 176.847 177.584 -0.026 0.000 1.187 420 A CA -0.486 51.534 52.037 -0.028 0.000 0.825 420 A CB 0.944 19.865 19.000 -0.133 0.000 1.164 420 A HN 0.653 nan 8.150 nan 0.000 0.498 421 E N 1.732 121.936 120.200 0.007 0.000 2.256 421 E HA 0.644 4.996 4.350 0.003 0.000 0.268 421 E C 0.410 177.017 176.600 0.012 0.000 0.877 421 E CA -0.004 56.397 56.400 0.002 0.000 0.757 421 E CB 1.668 31.369 29.700 0.002 0.000 1.183 421 E HN 0.597 nan 8.360 nan 0.000 0.418 422 A N 3.445 126.270 122.820 0.008 0.000 1.969 422 A HA 0.223 4.545 4.320 0.003 0.000 0.218 422 A C 1.164 178.761 177.584 0.022 0.000 1.169 422 A CA 1.367 53.413 52.037 0.016 0.000 0.635 422 A CB -0.610 18.399 19.000 0.016 0.000 0.810 422 A HN 0.550 nan 8.150 nan 0.000 0.445 423 G N -2.244 106.567 108.800 0.019 0.000 2.552 423 G HA2 0.452 4.414 3.960 0.003 0.000 0.318 423 G HA3 0.452 4.414 3.960 0.003 0.000 0.318 423 G C 0.526 175.437 174.900 0.018 0.000 1.240 423 G CA -0.489 44.623 45.100 0.020 0.000 1.002 423 G HN 0.299 nan 8.290 nan 0.000 0.493 424 R N -0.611 119.899 120.500 0.018 0.000 2.120 424 R HA 0.010 4.352 4.340 0.003 0.000 0.234 424 R C -0.271 176.034 176.300 0.008 0.000 1.123 424 R CA 0.880 56.989 56.100 0.014 0.000 0.975 424 R CB -0.090 30.220 30.300 0.015 0.000 0.866 424 R HN 0.425 nan 8.270 nan 0.000 0.446 425 D N 0.067 120.470 120.400 0.005 0.000 2.268 425 D HA 0.304 4.946 4.640 0.003 0.000 0.249 425 D C 0.077 176.374 176.300 -0.005 0.000 1.008 425 D CA -0.477 53.523 54.000 -0.001 0.000 0.939 425 D CB 1.343 42.141 40.800 -0.003 0.000 1.170 425 D HN -0.102 nan 8.370 nan 0.000 0.468 426 L N -0.182 121.036 121.223 -0.008 0.000 2.431 426 L HA 0.525 4.867 4.340 0.003 0.000 0.260 426 L C 1.619 178.485 176.870 -0.007 0.000 1.098 426 L CA -0.379 54.454 54.840 -0.011 0.000 0.800 426 L CB 0.918 42.967 42.059 -0.017 0.000 1.210 426 L HN 0.742 nan 8.230 nan 0.000 0.465 427 G N -0.278 108.519 108.800 -0.005 0.000 2.232 427 G HA2 -0.130 3.832 3.960 0.003 0.000 0.226 427 G HA3 -0.130 3.832 3.960 0.003 0.000 0.226 427 G C 0.745 175.643 174.900 -0.003 0.000 0.996 427 G CA 0.085 45.187 45.100 0.003 0.000 0.626 427 G HN 1.398 nan 8.290 nan 0.000 0.509 428 G N 1.040 109.829 108.800 -0.017 0.000 2.660 428 G HA2 -0.323 3.639 3.960 0.003 0.000 0.321 428 G HA3 -0.323 3.639 3.960 0.003 0.000 0.321 428 G C 1.301 176.161 174.900 -0.066 0.000 1.246 428 G CA 2.798 47.881 45.100 -0.028 0.000 1.000 428 G HN 1.845 nan 8.290 nan 0.000 0.550 429 R N 0.268 120.744 120.500 -0.041 0.000 2.189 429 R HA 0.177 4.519 4.340 0.003 0.000 0.223 429 R C 2.459 178.743 176.300 -0.026 0.000 1.092 429 R CA 1.857 57.913 56.100 -0.073 0.000 0.989 429 R CB -0.581 29.748 30.300 0.049 0.000 0.876 429 R HN 0.439 nan 8.270 nan 0.000 0.457 430 V N 1.769 121.704 119.914 0.034 0.000 2.295 430 V HA -0.243 3.879 4.120 0.003 0.000 0.246 430 V C 2.188 178.305 176.094 0.039 0.000 1.049 430 V CA 2.451 64.803 62.300 0.086 0.000 1.024 430 V CB -0.649 31.229 31.823 0.091 0.000 0.648 430 V HN 0.467 nan 8.190 nan 0.000 0.447 431 T N -0.475 114.071 114.554 -0.014 0.000 2.708 431 T HA -0.272 4.080 4.350 0.003 0.000 0.266 431 T C 1.941 176.583 174.700 -0.098 0.000 1.037 431 T CA 1.825 63.903 62.100 -0.037 0.000 1.146 431 T CB -0.296 68.549 68.868 -0.038 0.000 0.865 431 T HN 0.547 nan 8.240 nan 0.000 0.435 432 Q N 0.618 120.282 119.800 -0.228 0.000 2.050 432 Q HA -0.120 4.222 4.340 0.003 0.000 0.202 432 Q C 2.431 178.246 176.000 -0.308 0.000 0.980 432 Q CA 1.403 56.942 55.803 -0.441 0.000 0.840 432 Q CB -0.129 27.928 28.738 -1.134 0.000 0.898 432 Q HN 0.619 nan 8.270 nan 0.000 0.424 433 E N 0.161 120.230 120.200 -0.219 0.000 2.112 433 E HA -0.105 4.247 4.350 0.003 0.000 0.190 433 E C 2.147 178.698 176.600 -0.082 0.000 0.979 433 E CA 1.094 57.483 56.400 -0.018 0.000 0.814 433 E CB 0.123 29.898 29.700 0.126 0.000 0.762 433 E HN 0.303 nan 8.360 nan 0.000 0.460 434 S N 1.313 116.983 115.700 -0.050 0.000 2.400 434 S HA -0.135 4.337 4.470 0.003 0.000 0.232 434 S C 2.167 176.714 174.600 -0.089 0.000 1.025 434 S CA 0.896 59.054 58.200 -0.071 0.000 0.993 434 S CB -0.203 63.010 63.200 0.021 0.000 0.808 434 S HN 0.284 nan 8.310 nan 0.000 0.478 435 A N 1.019 123.809 122.820 -0.051 0.000 2.168 435 A HA 0.336 4.658 4.320 0.003 0.000 0.215 435 A C 0.971 178.531 177.584 -0.041 0.000 1.152 435 A CA 0.272 52.291 52.037 -0.029 0.000 0.716 435 A CB -0.500 18.504 19.000 0.006 0.000 0.794 435 A HN 0.500 nan 8.150 nan 0.000 0.465 436 L N -0.023 121.158 121.223 -0.071 0.000 2.439 436 L HA 0.267 4.609 4.340 0.003 0.000 0.261 436 L C -2.331 174.447 176.870 -0.154 0.000 1.153 436 L CA -2.217 52.571 54.840 -0.086 0.000 0.808 436 L CB 0.519 42.534 42.059 -0.073 0.000 1.126 436 L HN -0.022 nan 8.230 nan 0.000 0.460 437 P HA 0.068 nan 4.420 nan 0.000 0.267 437 P C 0.581 177.747 177.300 -0.223 0.000 1.205 437 P CA 0.555 63.569 63.100 -0.143 0.000 0.765 437 P CB 0.774 32.414 31.700 -0.100 0.000 0.828 438 G N 2.725 111.387 108.800 -0.229 0.000 2.189 438 G HA2 -0.279 3.683 3.960 0.003 0.000 0.267 438 G HA3 -0.279 3.683 3.960 0.003 0.000 0.267 438 G C 0.517 175.185 174.900 -0.387 0.000 0.975 438 G CA 0.122 45.037 45.100 -0.308 0.000 0.644 438 G HN 0.520 nan 8.290 nan 0.000 0.537 439 L N 1.421 122.381 121.223 -0.440 0.000 2.728 439 L HA 0.164 4.506 4.340 0.003 0.000 0.238 439 L C 2.517 179.124 176.870 -0.439 0.000 1.143 439 L CA 0.822 55.220 54.840 -0.736 0.000 0.937 439 L CB 0.189 41.650 42.059 -0.997 0.000 1.225 439 L HN 0.353 nan 8.230 nan 0.000 0.507 440 S N 0.573 116.152 115.700 -0.202 0.000 2.399 440 S HA -0.184 4.288 4.470 0.003 0.000 0.231 440 S C 2.172 176.792 174.600 0.034 0.000 1.022 440 S CA 0.966 59.126 58.200 -0.067 0.000 0.983 440 S CB -0.247 62.928 63.200 -0.041 0.000 0.803 440 S HN 0.404 nan 8.310 nan 0.000 0.480 441 A N 0.888 123.758 122.820 0.083 0.000 2.019 441 A HA -0.025 4.297 4.320 0.003 0.000 0.219 441 A C 1.714 179.485 177.584 0.312 0.000 1.164 441 A CA 1.128 53.276 52.037 0.186 0.000 0.644 441 A CB -1.093 18.025 19.000 0.198 0.000 0.805 441 A HN 0.693 nan 8.150 nan 0.000 0.449 442 W N 0.134 121.417 121.300 -0.029 0.000 2.468 442 W HA 0.047 4.709 4.660 0.004 0.000 0.262 442 W C 2.267 178.785 176.519 -0.003 0.000 1.241 442 W CA 0.166 57.496 57.345 -0.025 0.000 1.232 442 W CB -1.241 28.184 29.460 -0.058 0.000 1.124 442 W HN 0.375 nan 8.180 nan 0.000 0.597 443 G N 0.351 109.279 108.800 0.215 0.000 2.479 443 G HA2 -0.288 3.674 3.960 0.003 0.000 0.220 443 G HA3 -0.288 3.674 3.960 0.003 0.000 0.220 443 G C 1.638 176.607 174.900 0.115 0.000 1.115 443 G CA 0.722 45.900 45.100 0.130 0.000 0.757 443 G HN 0.210 nan 8.290 nan 0.000 0.560 444 R N -0.384 120.190 120.500 0.124 0.000 2.200 444 R HA 0.002 4.344 4.340 0.003 0.000 0.234 444 R C 2.554 178.927 176.300 0.121 0.000 1.127 444 R CA 0.721 56.889 56.100 0.114 0.000 0.989 444 R CB -0.327 30.035 30.300 0.104 0.000 0.869 444 R HN 0.311 nan 8.270 nan 0.000 0.459 445 V N 1.520 121.494 119.914 0.101 0.000 2.392 445 V HA -0.296 3.826 4.120 0.003 0.000 0.249 445 V C 2.395 178.564 176.094 0.124 0.000 1.059 445 V CA 2.032 64.390 62.300 0.097 0.000 1.051 445 V CB -0.455 31.401 31.823 0.056 0.000 0.658 445 V HN 0.394 nan 8.190 nan 0.000 0.455 446 K N 0.259 120.718 120.400 0.098 0.000 2.099 446 K HA -0.125 4.197 4.320 0.003 0.000 0.203 446 K C 2.011 178.647 176.600 0.060 0.000 1.047 446 K CA 1.380 57.708 56.287 0.068 0.000 0.963 446 K CB -0.124 32.406 32.500 0.050 0.000 0.759 446 K HN 0.472 nan 8.250 nan 0.000 0.451 447 E N 0.129 120.375 120.200 0.076 0.000 2.070 447 E HA -0.255 4.097 4.350 0.003 0.000 0.197 447 E C 1.928 178.568 176.600 0.065 0.000 1.004 447 E CA 1.987 58.425 56.400 0.065 0.000 0.805 447 E CB -0.389 29.361 29.700 0.082 0.000 0.744 447 E HN 0.381 nan 8.360 nan 0.000 0.451 448 Y N 1.347 121.660 120.300 0.021 0.000 2.081 448 Y HA -0.280 4.272 4.550 0.003 0.000 0.280 448 Y C 2.250 178.153 175.900 0.005 0.000 1.163 448 Y CA 1.941 60.051 58.100 0.017 0.000 1.135 448 Y CB -0.129 38.344 38.460 0.022 0.000 0.970 448 Y HN -0.179 nan 8.280 nan 0.000 0.498 449 R N 0.348 120.736 120.500 -0.186 0.000 2.092 449 R HA -0.112 4.230 4.340 0.003 0.000 0.231 449 R C 2.287 178.452 176.300 -0.225 0.000 1.119 449 R CA 1.664 57.598 56.100 -0.277 0.000 0.970 449 R CB -0.251 30.014 30.300 -0.059 0.000 0.864 449 R HN 0.508 nan 8.270 nan 0.000 0.440 450 E N -0.050 120.072 120.200 -0.131 0.000 2.085 450 E HA -0.213 4.139 4.350 0.003 0.000 0.194 450 E C 1.996 178.519 176.600 -0.128 0.000 0.994 450 E CA 1.234 57.571 56.400 -0.104 0.000 0.801 450 E CB -0.138 29.529 29.700 -0.055 0.000 0.743 450 E HN 0.402 nan 8.360 nan 0.000 0.453 451 A N 0.737 123.465 122.820 -0.152 0.000 1.908 451 A HA -0.174 4.148 4.320 0.003 0.000 0.218 451 A C 2.450 179.927 177.584 -0.177 0.000 1.181 451 A CA 1.431 53.385 52.037 -0.138 0.000 0.627 451 A CB -0.574 18.360 19.000 -0.110 0.000 0.818 451 A HN 0.144 nan 8.150 nan 0.000 0.445 452 V N -0.270 119.464 119.914 -0.300 0.000 2.591 452 V HA -0.129 3.993 4.120 0.003 0.000 0.249 452 V C 2.421 178.412 176.094 -0.171 0.000 1.053 452 V CA 1.415 63.562 62.300 -0.256 0.000 1.068 452 V CB -0.581 31.018 31.823 -0.374 0.000 0.689 452 V HN 0.534 nan 8.190 nan 0.000 0.462 453 L N 0.253 121.375 121.223 -0.167 0.000 2.156 453 L HA -0.067 4.275 4.340 0.003 0.000 0.208 453 L C 2.704 179.518 176.870 -0.093 0.000 1.095 453 L CA 1.249 56.018 54.840 -0.119 0.000 0.770 453 L CB -0.693 41.299 42.059 -0.111 0.000 0.914 453 L HN 0.351 nan 8.230 nan 0.000 0.439 454 A N -0.128 122.637 122.820 -0.091 0.000 1.978 454 A HA -0.193 4.129 4.320 0.003 0.000 0.220 454 A C 1.937 179.485 177.584 -0.061 0.000 1.170 454 A CA 1.452 53.447 52.037 -0.070 0.000 0.636 454 A CB -0.311 18.653 19.000 -0.061 0.000 0.810 454 A HN 0.470 nan 8.150 nan 0.000 0.448 455 E N -1.213 118.947 120.200 -0.067 0.000 2.437 455 E HA 0.145 4.497 4.350 0.003 0.000 0.189 455 E C -1.075 175.493 176.600 -0.054 0.000 1.054 455 E CA -0.221 56.146 56.400 -0.054 0.000 0.874 455 E CB 0.226 29.894 29.700 -0.053 0.000 1.011 455 E HN 0.260 nan 8.360 nan 0.000 0.474 456 L N 1.985 123.173 121.223 -0.059 0.000 2.387 456 L HA 0.203 4.545 4.340 0.003 0.000 0.259 456 L C -1.628 175.216 176.870 -0.044 0.000 1.050 456 L CA -2.116 52.692 54.840 -0.053 0.000 0.922 456 L CB 1.263 43.285 42.059 -0.062 0.000 1.280 456 L HN -0.137 nan 8.230 nan 0.000 0.449 457 P HA -0.132 nan 4.420 nan 0.000 0.223 457 P C 0.579 177.867 177.300 -0.020 0.000 1.144 457 P CA 0.987 64.070 63.100 -0.028 0.000 0.783 457 P CB 0.196 31.882 31.700 -0.023 0.000 0.771 458 N N -0.239 118.450 118.700 -0.018 0.000 2.398 458 N HA 0.013 4.755 4.740 0.003 0.000 0.188 458 N C 0.035 175.547 175.510 0.003 0.000 1.122 458 N CA 0.145 53.193 53.050 -0.003 0.000 0.866 458 N CB -0.287 38.197 38.487 -0.005 0.000 0.970 458 N HN 0.014 nan 8.380 nan 0.000 0.462 459 V N 0.969 120.874 119.914 -0.016 0.000 2.417 459 V HA 0.297 4.419 4.120 0.003 0.000 0.291 459 V C -0.119 175.958 176.094 -0.028 0.000 1.024 459 V CA -0.809 61.478 62.300 -0.020 0.000 0.861 459 V CB 1.901 33.698 31.823 -0.045 0.000 0.985 459 V HN 0.084 nan 8.190 nan 0.000 0.436 460 E N 4.392 124.589 120.200 -0.005 0.000 2.171 460 E HA 0.575 4.927 4.350 0.003 0.000 0.271 460 E C -1.251 175.300 176.600 -0.082 0.000 0.916 460 E CA -0.618 55.753 56.400 -0.047 0.000 0.774 460 E CB 2.692 32.420 29.700 0.047 0.000 1.128 460 E HN 0.534 nan 8.360 nan 0.000 0.403 461 I N 3.202 123.634 120.570 -0.230 0.000 2.362 461 I HA 0.230 4.402 4.170 0.003 0.000 0.289 461 I C -1.047 174.837 176.117 -0.388 0.000 0.994 461 I CA -0.657 60.525 61.300 -0.196 0.000 1.158 461 I CB 0.686 38.608 38.000 -0.130 0.000 1.315 461 I HN 0.416 nan 8.210 nan 0.000 0.451 462 Y N 6.014 126.287 120.300 -0.046 0.000 2.402 462 Y HA 0.463 5.015 4.550 0.003 0.000 0.332 462 Y C 0.420 176.298 175.900 -0.038 0.000 0.960 462 Y CA -0.763 57.313 58.100 -0.039 0.000 1.228 462 Y CB 0.801 39.229 38.460 -0.054 0.000 1.120 462 Y HN 0.409 nan 8.280 nan 0.000 0.491 463 R N 1.236 121.774 120.500 0.062 0.000 2.577 463 R HA 0.191 4.533 4.340 0.003 0.000 0.269 463 R C 0.183 176.524 176.300 0.069 0.000 1.084 463 R CA -0.590 55.537 56.100 0.044 0.000 1.163 463 R CB 0.414 30.721 30.300 0.013 0.000 1.100 463 R HN 0.780 nan 8.270 nan 0.000 0.547 464 E N -0.367 119.861 120.200 0.047 0.000 2.586 464 E HA -0.162 4.190 4.350 0.003 0.000 0.259 464 E C -0.995 175.637 176.600 0.053 0.000 1.107 464 E CA 0.708 57.136 56.400 0.046 0.000 0.754 464 E CB -0.858 28.871 29.700 0.048 0.000 1.335 464 E HN 0.466 nan 8.360 nan 0.000 0.411 465 S N 1.155 116.883 115.700 0.048 0.000 2.150 465 S HA 0.254 4.726 4.470 0.003 0.000 0.171 465 S C -2.178 172.422 174.600 0.001 0.000 1.620 465 S CA -0.977 57.239 58.200 0.027 0.000 1.190 465 S CB 1.094 64.307 63.200 0.022 0.000 1.102 465 S HN 0.081 nan 8.310 nan 0.000 0.464 466 P HA 0.145 nan 4.420 nan 0.000 0.266 466 P C -0.579 176.721 177.300 0.000 0.000 1.195 466 P CA 0.030 63.135 63.100 0.008 0.000 0.768 466 P CB 0.494 32.207 31.700 0.021 0.000 0.838 467 M N 1.813 121.408 119.600 -0.010 0.000 2.602 467 M HA 0.420 4.902 4.480 0.003 0.000 0.312 467 M C 0.489 176.795 176.300 0.010 0.000 1.181 467 M CA -0.419 54.873 55.300 -0.013 0.000 0.910 467 M CB 2.498 35.057 32.600 -0.068 0.000 1.723 467 M HN 0.384 nan 8.290 nan 0.000 0.459 468 T N -2.364 112.207 114.554 0.029 0.000 2.887 468 T HA 0.593 4.945 4.350 0.003 0.000 0.292 468 T C 1.021 175.745 174.700 0.041 0.000 1.087 468 T CA -0.224 61.897 62.100 0.035 0.000 1.009 468 T CB 1.602 70.494 68.868 0.041 0.000 1.203 468 T HN 0.775 nan 8.240 nan 0.000 0.518 469 G N 0.663 109.484 108.800 0.035 0.000 2.574 469 G HA2 -0.248 3.714 3.960 0.003 0.000 0.220 469 G HA3 -0.248 3.714 3.960 0.003 0.000 0.220 469 G C 1.024 175.955 174.900 0.052 0.000 1.173 469 G CA 1.291 46.412 45.100 0.034 0.000 0.772 469 G HN 0.834 nan 8.290 nan 0.000 0.585 470 D N 0.844 121.276 120.400 0.053 0.000 2.097 470 D HA -0.073 4.569 4.640 0.003 0.000 0.197 470 D C 2.155 178.515 176.300 0.099 0.000 0.984 470 D CA 1.050 55.085 54.000 0.058 0.000 0.826 470 D CB -0.390 40.434 40.800 0.041 0.000 0.973 470 D HN 0.176 nan 8.370 nan 0.000 0.460 471 D N 1.035 121.513 120.400 0.130 0.000 2.160 471 D HA -0.180 4.462 4.640 0.003 0.000 0.189 471 D C 2.343 178.849 176.300 0.344 0.000 1.003 471 D CA 0.740 54.889 54.000 0.248 0.000 0.846 471 D CB -0.502 40.440 40.800 0.236 0.000 0.949 471 D HN 0.272 nan 8.370 nan 0.000 0.446 472 I N 0.931 121.643 120.570 0.237 0.000 2.127 472 I HA -0.256 3.916 4.170 0.003 0.000 0.241 472 I C 2.695 179.006 176.117 0.324 0.000 1.075 472 I CA 1.202 62.675 61.300 0.289 0.000 1.334 472 I CB -0.401 37.668 38.000 0.115 0.000 1.040 472 I HN -0.018 nan 8.210 nan 0.000 0.405 473 V N -0.967 119.055 119.914 0.180 0.000 2.407 473 V HA -0.248 3.874 4.120 0.003 0.000 0.248 473 V C 2.334 178.487 176.094 0.098 0.000 1.055 473 V CA 2.049 64.419 62.300 0.118 0.000 1.049 473 V CB -0.876 30.983 31.823 0.061 0.000 0.662 473 V HN 0.409 nan 8.190 nan 0.000 0.455 474 E N 0.922 121.184 120.200 0.103 0.000 2.023 474 E HA -0.211 4.141 4.350 0.003 0.000 0.196 474 E C 1.723 178.313 176.600 -0.017 0.000 1.003 474 E CA 2.104 58.518 56.400 0.022 0.000 0.809 474 E CB -0.636 29.061 29.700 -0.005 0.000 0.755 474 E HN 0.634 nan 8.360 nan 0.000 0.449 475 F N 0.045 119.982 119.950 -0.022 0.000 2.583 475 F HA 0.052 4.581 4.527 0.003 0.000 0.297 475 F C 1.607 177.236 175.800 -0.286 0.000 1.131 475 F CA 1.125 59.037 58.000 -0.146 0.000 1.467 475 F CB -0.137 38.789 39.000 -0.123 0.000 1.097 475 F HN 0.300 nan 8.300 nan 0.000 0.586 476 G N 0.038 108.837 108.800 -0.001 0.000 2.221 476 G HA2 -0.332 3.630 3.960 0.003 0.000 0.265 476 G HA3 -0.332 3.630 3.960 0.003 0.000 0.265 476 G C 0.048 174.883 174.900 -0.108 0.000 1.041 476 G CA -0.469 44.594 45.100 -0.061 0.000 0.807 476 G HN 0.211 nan 8.290 nan 0.000 0.502 477 F N 0.294 120.275 119.950 0.051 0.000 2.495 477 F HA 0.359 4.888 4.527 0.003 0.000 0.365 477 F C 1.621 177.403 175.800 -0.030 0.000 1.090 477 F CA -0.220 57.788 58.000 0.013 0.000 1.235 477 F CB 0.793 39.795 39.000 0.002 0.000 1.119 477 F HN 0.064 nan 8.300 nan 0.000 0.562 478 E N 1.189 121.448 120.200 0.098 0.000 2.127 478 E HA -0.010 4.342 4.350 0.003 0.000 0.191 478 E C 0.108 176.600 176.600 -0.179 0.000 0.964 478 E CA 0.856 57.175 56.400 -0.136 0.000 0.832 478 E CB 0.099 29.571 29.700 -0.380 0.000 0.790 478 E HN 0.468 nan 8.360 nan 0.000 0.465 479 H N 0.259 119.418 119.070 0.148 0.000 2.587 479 H HA 0.418 4.976 4.556 0.003 0.000 0.325 479 H C -0.612 174.747 175.328 0.052 0.000 1.012 479 H CA -0.421 55.707 56.048 0.133 0.000 1.213 479 H CB 1.527 31.435 29.762 0.243 0.000 1.431 479 H HN -0.189 nan 8.280 nan 0.000 0.492 480 V N 5.248 125.244 119.914 0.137 0.000 2.604 480 V HA 0.310 4.433 4.120 0.003 0.000 0.305 480 V C 0.140 176.242 176.094 0.014 0.000 1.043 480 V CA -0.753 61.554 62.300 0.013 0.000 0.888 480 V CB 2.565 34.379 31.823 -0.014 0.000 0.995 480 V HN 0.566 nan 8.190 nan 0.000 0.429 481 I N 3.744 124.281 120.570 -0.056 0.000 2.362 481 I HA 0.374 4.546 4.170 0.003 0.000 0.289 481 I C 0.243 176.333 176.117 -0.045 0.000 0.994 481 I CA -0.155 61.110 61.300 -0.058 0.000 1.158 481 I CB 1.960 39.887 38.000 -0.122 0.000 1.315 481 I HN 0.708 nan 8.210 nan 0.000 0.451 482 T N 2.438 116.995 114.554 0.004 0.000 2.753 482 T HA 0.632 4.984 4.350 0.003 0.000 0.297 482 T C 0.275 174.976 174.700 0.001 0.000 0.981 482 T CA -0.723 61.392 62.100 0.025 0.000 0.956 482 T CB 1.501 70.442 68.868 0.121 0.000 0.936 482 T HN 0.677 nan 8.240 nan 0.000 0.463 483 A N 2.979 125.791 122.820 -0.013 0.000 3.154 483 A HA 0.451 4.773 4.320 0.003 0.000 0.310 483 A C 1.547 179.133 177.584 0.005 0.000 1.093 483 A CA -0.520 51.512 52.037 -0.009 0.000 1.006 483 A CB -0.538 18.446 19.000 -0.027 0.000 1.084 483 A HN 0.916 nan 8.150 nan 0.000 0.549 484 T N -3.220 111.345 114.554 0.018 0.000 3.113 484 T HA 0.436 4.788 4.350 0.003 0.000 0.256 484 T C 1.247 175.960 174.700 0.022 0.000 1.131 484 T CA 0.829 62.942 62.100 0.021 0.000 1.074 484 T CB -0.177 68.711 68.868 0.034 0.000 0.944 484 T HN 1.916 nan 8.240 nan 0.000 0.516 485 G N 0.984 109.796 108.800 0.020 0.000 2.587 485 G HA2 0.364 4.326 3.960 0.003 0.000 0.212 485 G HA3 0.364 4.326 3.960 0.003 0.000 0.212 485 G C -0.444 174.452 174.900 -0.007 0.000 1.327 485 G CA -0.457 44.651 45.100 0.013 0.000 0.898 485 G HN 1.322 nan 8.290 nan 0.000 0.551 486 A N -1.378 121.424 122.820 -0.031 0.000 2.594 486 A HA 1.083 5.405 4.320 0.003 0.000 0.291 486 A C 0.106 177.649 177.584 -0.069 0.000 1.105 486 A CA 0.832 52.819 52.037 -0.083 0.000 0.694 486 A CB 1.515 20.410 19.000 -0.176 0.000 1.291 486 A HN 2.511 nan 8.150 nan 0.000 0.410 487 T N -2.214 112.295 114.554 -0.075 0.000 2.918 487 T HA 0.615 4.967 4.350 0.003 0.000 0.286 487 T C -0.881 173.761 174.700 -0.097 0.000 1.026 487 T CA -0.427 61.673 62.100 0.000 0.000 1.031 487 T CB 0.798 69.700 68.868 0.058 0.000 1.046 487 T HN 0.524 nan 8.240 nan 0.000 0.479 488 W N 2.230 123.551 121.300 0.035 0.000 2.356 488 W HA 0.422 5.084 4.660 0.004 0.000 0.311 488 W C 1.136 177.649 176.519 -0.010 0.000 1.328 488 W CA -0.882 56.464 57.345 0.001 0.000 1.251 488 W CB 0.450 29.896 29.460 -0.023 0.000 1.280 488 W HN 0.508 nan 8.180 nan 0.000 0.524 489 R N 1.357 121.957 120.500 0.167 0.000 2.640 489 R HA 0.050 4.392 4.340 0.003 0.000 0.270 489 R C 1.036 177.406 176.300 0.117 0.000 1.024 489 R CA 0.800 56.965 56.100 0.108 0.000 1.085 489 R CB 0.258 30.605 30.300 0.079 0.000 0.963 489 R HN 0.550 nan 8.270 nan 0.000 0.426 490 T N -3.010 111.589 114.554 0.075 0.000 3.132 490 T HA 0.012 4.364 4.350 0.003 0.000 0.274 490 T C 0.488 175.214 174.700 0.044 0.000 1.011 490 T CA -0.325 61.808 62.100 0.055 0.000 0.899 490 T CB 0.080 68.968 68.868 0.034 0.000 1.089 490 T HN 0.633 nan 8.240 nan 0.000 0.543 491 D N 0.983 121.411 120.400 0.047 0.000 2.349 491 D HA 0.244 4.886 4.640 0.003 0.000 0.214 491 D C 1.668 177.988 176.300 0.034 0.000 1.063 491 D CA 0.473 54.489 54.000 0.028 0.000 0.847 491 D CB -0.442 40.371 40.800 0.021 0.000 0.933 491 D HN 0.517 nan 8.370 nan 0.000 0.513 492 G N -0.359 108.494 108.800 0.088 0.000 2.176 492 G HA2 -0.232 3.730 3.960 0.003 0.000 0.232 492 G HA3 -0.232 3.730 3.960 0.003 0.000 0.232 492 G C 0.059 175.097 174.900 0.229 0.000 0.986 492 G CA 0.099 45.299 45.100 0.166 0.000 0.643 492 G HN 0.351 nan 8.290 nan 0.000 0.522 493 V N 0.631 120.639 119.914 0.157 0.000 2.498 493 V HA 0.757 4.879 4.120 0.003 0.000 0.279 493 V C 0.895 177.071 176.094 0.136 0.000 1.048 493 V CA 1.152 63.552 62.300 0.166 0.000 0.967 493 V CB 1.047 32.930 31.823 0.100 0.000 0.988 493 V HN 1.369 nan 8.190 nan 0.000 0.473 494 A N 4.923 127.833 122.820 0.149 0.000 2.064 494 A HA 0.354 4.676 4.320 0.003 0.000 0.124 494 A C 1.368 179.013 177.584 0.101 0.000 1.521 494 A CA 0.123 52.219 52.037 0.097 0.000 2.622 494 A CB 0.210 19.253 19.000 0.073 0.000 2.716 494 A HN 0.569 nan 8.150 nan 0.000 1.217 495 R N -2.065 118.522 120.500 0.146 0.000 2.306 495 R HA 0.390 4.732 4.340 0.003 0.000 0.183 495 R C 1.828 178.198 176.300 0.116 0.000 0.937 495 R CA 0.667 56.841 56.100 0.122 0.000 1.118 495 R CB -0.267 30.127 30.300 0.156 0.000 1.224 495 R HN 0.389 nan 8.270 nan 0.000 0.597 496 F N 1.850 121.826 119.950 0.043 0.000 2.102 496 F HA -0.066 4.463 4.527 0.003 0.000 0.298 496 F C 0.726 176.388 175.800 -0.229 0.000 1.105 496 F CA 1.370 59.323 58.000 -0.078 0.000 1.239 496 F CB 0.209 39.175 39.000 -0.057 0.000 0.991 496 F HN 0.003 nan 8.300 nan 0.000 0.474 497 H N -0.462 118.786 119.070 0.297 0.000 2.458 497 H HA 0.229 4.787 4.556 0.003 0.000 0.330 497 H C 1.093 176.471 175.328 0.084 0.000 1.111 497 H CA 0.613 56.757 56.048 0.160 0.000 1.245 497 H CB 1.481 31.372 29.762 0.215 0.000 1.456 497 H HN 0.098 nan 8.280 nan 0.000 0.488 498 T N -1.220 113.414 114.554 0.134 0.000 3.001 498 T HA 0.072 4.424 4.350 0.003 0.000 0.251 498 T C 0.783 175.530 174.700 0.078 0.000 1.040 498 T CA -0.025 62.123 62.100 0.079 0.000 0.985 498 T CB 0.137 69.017 68.868 0.020 0.000 1.011 498 T HN 0.620 nan 8.240 nan 0.000 0.509 499 T N -0.311 114.307 114.554 0.106 0.000 2.901 499 T HA 0.802 5.154 4.350 0.003 0.000 0.293 499 T C -0.076 174.666 174.700 0.070 0.000 1.084 499 T CA -0.669 61.472 62.100 0.070 0.000 1.008 499 T CB 1.536 70.433 68.868 0.048 0.000 1.170 499 T HN 0.363 nan 8.240 nan 0.000 0.509 500 A N 1.537 124.374 122.820 0.029 0.000 2.531 500 A HA 0.513 4.835 4.320 0.003 0.000 0.236 500 A C 0.409 177.959 177.584 -0.058 0.000 1.062 500 A CA -0.490 51.542 52.037 -0.007 0.000 0.760 500 A CB -0.738 18.259 19.000 -0.005 0.000 0.995 500 A HN 1.196 nan 8.150 nan 0.000 0.501 501 L N 1.440 122.575 121.223 -0.147 0.000 2.399 501 L HA 0.799 5.141 4.340 0.003 0.000 0.265 501 L C -2.594 174.211 176.870 -0.109 0.000 1.089 501 L CA -1.941 52.769 54.840 -0.217 0.000 0.802 501 L CB -0.082 41.699 42.059 -0.464 0.000 1.180 501 L HN 0.318 nan 8.230 nan 0.000 0.454 502 P HA 0.453 nan 4.420 nan 0.000 0.282 502 P C -1.021 176.248 177.300 -0.052 0.000 1.262 502 P CA 0.313 63.382 63.100 -0.051 0.000 0.773 502 P CB 0.633 32.312 31.700 -0.035 0.000 0.879 503 I N 2.349 122.896 120.570 -0.039 0.000 2.411 503 I HA 0.421 4.593 4.170 0.003 0.000 0.284 503 I C 0.487 176.590 176.117 -0.024 0.000 1.012 503 I CA -0.969 60.310 61.300 -0.034 0.000 1.119 503 I CB 1.655 39.638 38.000 -0.029 0.000 1.261 503 I HN 0.324 nan 8.210 nan 0.000 0.448 504 A N 4.419 127.224 122.820 -0.024 0.000 2.483 504 A HA 0.060 4.382 4.320 0.003 0.000 0.238 504 A C 1.262 178.837 177.584 -0.014 0.000 1.070 504 A CA -0.014 52.012 52.037 -0.018 0.000 0.770 504 A CB 0.351 19.340 19.000 -0.018 0.000 1.008 504 A HN 0.862 nan 8.150 nan 0.000 0.497 505 E N 1.741 121.935 120.200 -0.011 0.000 2.150 505 E HA -0.073 4.279 4.350 0.003 0.000 0.193 505 E C 1.807 178.402 176.600 -0.008 0.000 0.985 505 E CA 1.791 58.186 56.400 -0.008 0.000 0.814 505 E CB -0.370 29.327 29.700 -0.005 0.000 0.752 505 E HN 0.786 nan 8.360 nan 0.000 0.466 506 G N 0.006 108.801 108.800 -0.008 0.000 2.509 506 G HA2 -0.134 3.828 3.960 0.003 0.000 0.218 506 G HA3 -0.134 3.828 3.960 0.003 0.000 0.218 506 G C 0.580 175.475 174.900 -0.009 0.000 1.124 506 G CA 0.488 45.584 45.100 -0.007 0.000 0.776 506 G HN 0.266 nan 8.290 nan 0.000 0.547 507 M N 0.696 120.289 119.600 -0.012 0.000 2.264 507 M HA 0.373 4.855 4.480 0.003 0.000 0.352 507 M C 0.061 176.352 176.300 -0.016 0.000 1.173 507 M CA -0.638 54.653 55.300 -0.015 0.000 1.075 507 M CB 1.573 34.160 32.600 -0.021 0.000 1.621 507 M HN 0.106 nan 8.290 nan 0.000 0.457 508 Q N 3.453 123.243 119.800 -0.016 0.000 2.296 508 Q HA 0.488 4.830 4.340 0.003 0.000 0.262 508 Q C -1.762 174.220 176.000 -0.030 0.000 0.981 508 Q CA -0.289 55.502 55.803 -0.020 0.000 0.905 508 Q CB 0.666 29.394 28.738 -0.017 0.000 1.186 508 Q HN 0.708 nan 8.270 nan 0.000 0.399 509 V N 6.201 126.097 119.914 -0.029 0.000 2.577 509 V HA 0.470 4.592 4.120 0.003 0.000 0.303 509 V C -0.517 175.554 176.094 -0.039 0.000 1.042 509 V CA -0.679 61.601 62.300 -0.033 0.000 0.872 509 V CB 1.719 33.531 31.823 -0.020 0.000 0.998 509 V HN 0.757 nan 8.190 nan 0.000 0.423 510 L N 3.398 124.585 121.223 -0.061 0.000 2.370 510 L HA 0.895 5.237 4.340 0.003 0.000 0.266 510 L C 0.554 177.368 176.870 -0.094 0.000 1.002 510 L CA -0.478 54.314 54.840 -0.079 0.000 0.818 510 L CB 2.402 44.392 42.059 -0.115 0.000 1.325 510 L HN 0.757 nan 8.230 nan 0.000 0.418 511 G N 0.521 109.265 108.800 -0.093 0.000 2.667 511 G HA2 0.507 4.469 3.960 0.003 0.000 0.310 511 G HA3 0.507 4.469 3.960 0.003 0.000 0.310 511 G C -2.341 172.402 174.900 -0.262 0.000 1.259 511 G CA -1.206 43.821 45.100 -0.121 0.000 1.019 511 G HN 0.359 nan 8.290 nan 0.000 0.496 512 P HA -0.080 nan 4.420 nan 0.000 0.217 512 P C 1.084 177.922 177.300 -0.769 0.000 1.148 512 P CA 1.048 63.663 63.100 -0.809 0.000 0.828 512 P CB 0.279 31.284 31.700 -1.159 0.000 0.783 513 D N -0.662 119.615 120.400 -0.206 0.000 2.144 513 D HA -0.147 4.495 4.640 0.003 0.000 0.199 513 D C 1.480 177.784 176.300 0.007 0.000 0.984 513 D CA 1.035 55.079 54.000 0.073 0.000 0.834 513 D CB -0.533 40.385 40.800 0.196 0.000 0.955 513 D HN 0.272 nan 8.370 nan 0.000 0.465 514 D N 0.944 121.301 120.400 -0.072 0.000 2.078 514 D HA -0.113 4.529 4.640 0.003 0.000 0.193 514 D C 2.512 178.758 176.300 -0.091 0.000 0.990 514 D CA 0.509 54.474 54.000 -0.059 0.000 0.827 514 D CB -0.341 40.417 40.800 -0.070 0.000 0.975 514 D HN 0.237 nan 8.370 nan 0.000 0.451 515 L N 0.286 121.380 121.223 -0.215 0.000 2.021 515 L HA -0.226 4.116 4.340 0.003 0.000 0.215 515 L C 2.684 179.499 176.870 -0.091 0.000 1.074 515 L CA 1.150 55.858 54.840 -0.220 0.000 0.760 515 L CB -0.700 41.141 42.059 -0.364 0.000 0.889 515 L HN -0.049 nan 8.230 nan 0.000 0.433 516 F N 0.382 120.316 119.950 -0.027 0.000 2.202 516 F HA -0.186 4.343 4.527 0.003 0.000 0.301 516 F C 2.511 178.315 175.800 0.006 0.000 1.082 516 F CA 0.965 58.963 58.000 -0.004 0.000 1.313 516 F CB -1.111 37.902 39.000 0.022 0.000 1.024 516 F HN 0.041 nan 8.300 nan 0.000 0.495 517 A N -1.002 121.923 122.820 0.176 0.000 2.251 517 A HA 0.469 4.791 4.320 0.003 0.000 0.209 517 A C 2.118 179.745 177.584 0.072 0.000 1.187 517 A CA 0.983 53.089 52.037 0.115 0.000 0.823 517 A CB -0.790 18.265 19.000 0.091 0.000 0.846 517 A HN 0.573 nan 8.150 nan 0.000 0.486 518 G N -0.956 107.879 108.800 0.058 0.000 2.307 518 G HA2 -0.192 3.770 3.960 0.003 0.000 0.210 518 G HA3 -0.192 3.770 3.960 0.003 0.000 0.210 518 G C 0.281 175.194 174.900 0.022 0.000 1.005 518 G CA -0.196 44.928 45.100 0.040 0.000 0.634 518 G HN 0.418 nan 8.290 nan 0.000 0.496 519 R N 0.724 121.231 120.500 0.010 0.000 2.585 519 R HA 0.564 4.906 4.340 0.003 0.000 0.275 519 R C 0.252 176.538 176.300 -0.024 0.000 1.018 519 R CA 0.333 56.431 56.100 -0.002 0.000 1.072 519 R CB -0.018 30.276 30.300 -0.010 0.000 0.953 519 R HN 0.494 nan 8.270 nan 0.000 0.419 520 L N 3.773 124.993 121.223 -0.005 0.000 2.388 520 L HA 0.467 4.809 4.340 0.003 0.000 0.264 520 L C -2.119 174.743 176.870 -0.013 0.000 0.998 520 L CA -2.488 52.341 54.840 -0.018 0.000 0.817 520 L CB 2.304 44.421 42.059 0.097 0.000 1.338 520 L HN 0.329 nan 8.230 nan 0.000 0.414 521 P HA 0.036 nan 4.420 nan 0.000 0.268 521 P C -0.460 176.896 177.300 0.092 0.000 1.208 521 P CA -0.049 62.994 63.100 -0.094 0.000 0.777 521 P CB 0.872 32.397 31.700 -0.293 0.000 0.875 522 D N -0.136 120.305 120.400 0.069 0.000 2.162 522 D HA 0.063 4.705 4.640 0.003 0.000 0.203 522 D C 1.287 177.656 176.300 0.115 0.000 0.967 522 D CA 1.165 55.217 54.000 0.087 0.000 0.840 522 D CB -0.179 40.645 40.800 0.041 0.000 0.972 522 D HN 0.500 nan 8.370 nan 0.000 0.482 523 G N -0.904 107.973 108.800 0.130 0.000 2.820 523 G HA2 0.198 4.160 3.960 0.003 0.000 0.291 523 G HA3 0.198 4.160 3.960 0.003 0.000 0.291 523 G C 0.557 175.571 174.900 0.190 0.000 1.323 523 G CA -0.396 44.769 45.100 0.108 0.000 1.055 523 G HN -0.154 nan 8.290 nan 0.000 0.520 524 K N -0.661 119.801 120.400 0.103 0.000 2.116 524 K HA 0.055 4.377 4.320 0.003 0.000 0.203 524 K C 0.535 177.250 176.600 0.192 0.000 1.052 524 K CA 0.717 57.062 56.287 0.098 0.000 0.952 524 K CB -0.081 32.419 32.500 0.000 0.000 0.729 524 K HN 0.225 nan 8.250 nan 0.000 0.446 525 K N 1.429 121.898 120.400 0.114 0.000 2.248 525 K HA 0.218 4.540 4.320 0.003 0.000 0.281 525 K C -1.139 175.493 176.600 0.052 0.000 1.054 525 K CA -0.367 55.967 56.287 0.077 0.000 0.903 525 K CB 1.840 34.360 32.500 0.033 0.000 1.077 525 K HN -0.180 nan 8.250 nan 0.000 0.474 526 V N 3.633 123.564 119.914 0.029 0.000 2.604 526 V HA 0.337 4.459 4.120 0.003 0.000 0.305 526 V C -0.445 175.621 176.094 -0.047 0.000 1.043 526 V CA -1.051 61.222 62.300 -0.044 0.000 0.888 526 V CB 1.908 33.643 31.823 -0.148 0.000 0.995 526 V HN 0.393 nan 8.190 nan 0.000 0.429 527 V N 5.016 124.897 119.914 -0.055 0.000 2.398 527 V HA 0.421 4.543 4.120 0.003 0.000 0.286 527 V C -0.221 175.845 176.094 -0.047 0.000 1.026 527 V CA -0.465 61.808 62.300 -0.045 0.000 0.868 527 V CB 2.048 33.846 31.823 -0.041 0.000 0.982 527 V HN 0.649 nan 8.190 nan 0.000 0.443 528 V N 6.096 125.987 119.914 -0.038 0.000 2.333 528 V HA 0.268 4.389 4.120 0.003 0.000 0.274 528 V C -0.604 175.514 176.094 0.039 0.000 1.028 528 V CA -0.728 61.548 62.300 -0.040 0.000 0.851 528 V CB 1.077 32.850 31.823 -0.083 0.000 1.000 528 V HN 0.733 nan 8.190 nan 0.000 0.456 529 Y N 4.542 124.781 120.300 -0.101 0.000 2.452 529 Y HA 0.453 5.005 4.550 0.003 0.000 0.348 529 Y C -0.061 175.775 175.900 -0.107 0.000 0.985 529 Y CA -1.398 56.650 58.100 -0.087 0.000 1.214 529 Y CB 0.852 39.275 38.460 -0.063 0.000 1.136 529 Y HN 0.679 nan 8.280 nan 0.000 0.523 530 D N 4.638 124.845 120.400 -0.321 0.000 2.460 530 D HA 0.132 4.774 4.640 0.003 0.000 0.232 530 D C -0.704 175.189 176.300 -0.677 0.000 1.079 530 D CA -0.170 53.560 54.000 -0.451 0.000 0.864 530 D CB 0.744 41.396 40.800 -0.246 0.000 1.048 530 D HN 0.679 nan 8.370 nan 0.000 0.523 531 D N 2.183 122.102 120.400 -0.801 0.000 2.501 531 D HA 0.040 4.682 4.640 0.003 0.000 0.224 531 D C 0.890 176.868 176.300 -0.536 0.000 1.202 531 D CA -0.076 53.488 54.000 -0.727 0.000 0.829 531 D CB 0.445 40.999 40.800 -0.409 0.000 1.023 531 D HN 0.448 nan 8.370 nan 0.000 0.499 532 D N -0.870 119.271 120.400 -0.431 0.000 2.183 532 D HA -0.130 4.512 4.640 0.003 0.000 0.205 532 D C 0.597 176.879 176.300 -0.029 0.000 0.962 532 D CA 0.984 54.907 54.000 -0.127 0.000 0.849 532 D CB 0.189 40.956 40.800 -0.055 0.000 0.978 532 D HN 0.120 nan 8.370 nan 0.000 0.488 533 H N -2.758 116.343 119.070 0.053 0.000 3.641 533 H HA -0.239 4.319 4.556 0.003 0.000 0.193 533 H C 0.127 175.617 175.328 0.269 0.000 1.013 533 H CA 1.292 57.417 56.048 0.128 0.000 1.212 533 H CB -1.850 27.984 29.762 0.120 0.000 1.089 533 H HN 0.355 nan 8.280 nan 0.000 0.339 534 Y N 1.265 121.654 120.300 0.149 0.000 3.214 534 Y HA 0.171 4.723 4.550 0.004 0.000 0.404 534 Y C 2.126 178.136 175.900 0.182 0.000 1.177 534 Y CA 0.420 58.661 58.100 0.235 0.000 1.288 534 Y CB -0.846 37.702 38.460 0.145 0.000 1.262 534 Y HN -0.045 nan 8.280 nan 0.000 0.883 535 Y N -0.761 119.581 120.300 0.071 0.000 2.436 535 Y HA 0.178 4.729 4.550 0.003 0.000 0.288 535 Y C 1.853 177.713 175.900 -0.066 0.000 1.112 535 Y CA 0.719 58.812 58.100 -0.011 0.000 1.220 535 Y CB -0.929 37.444 38.460 -0.144 0.000 1.073 535 Y HN 0.229 nan 8.280 nan 0.000 0.552 536 L N 1.963 122.838 121.223 -0.580 0.000 2.083 536 L HA 0.061 4.403 4.340 0.003 0.000 0.209 536 L C 2.380 179.084 176.870 -0.277 0.000 1.083 536 L CA 2.059 56.662 54.840 -0.395 0.000 0.752 536 L CB -1.135 40.560 42.059 -0.606 0.000 0.899 536 L HN 0.414 nan 8.230 nan 0.000 0.433 537 G N -1.085 107.559 108.800 -0.260 0.000 2.446 537 G HA2 -0.246 3.716 3.960 0.003 0.000 0.217 537 G HA3 -0.246 3.716 3.960 0.003 0.000 0.217 537 G C 1.519 176.348 174.900 -0.120 0.000 1.168 537 G CA 0.616 45.591 45.100 -0.209 0.000 0.771 537 G HN 0.574 nan 8.290 nan 0.000 0.551 538 G N -0.031 108.741 108.800 -0.047 0.000 2.422 538 G HA2 -0.062 3.900 3.960 0.003 0.000 0.218 538 G HA3 -0.062 3.900 3.960 0.003 0.000 0.218 538 G C 1.735 176.629 174.900 -0.011 0.000 1.140 538 G CA 1.110 46.212 45.100 0.004 0.000 0.775 538 G HN 0.338 nan 8.290 nan 0.000 0.545 539 V N 0.343 120.243 119.914 -0.024 0.000 2.379 539 V HA -0.116 4.006 4.120 0.003 0.000 0.245 539 V C 2.977 179.020 176.094 -0.086 0.000 1.044 539 V CA 1.132 63.403 62.300 -0.050 0.000 1.036 539 V CB -0.084 31.717 31.823 -0.036 0.000 0.664 539 V HN 0.229 nan 8.190 nan 0.000 0.453 540 V N 0.515 120.352 119.914 -0.129 0.000 2.332 540 V HA -0.301 3.821 4.120 0.003 0.000 0.248 540 V C 2.714 178.730 176.094 -0.129 0.000 1.055 540 V CA 2.219 64.419 62.300 -0.167 0.000 1.038 540 V CB -1.058 30.612 31.823 -0.254 0.000 0.651 540 V HN 0.571 nan 8.190 nan 0.000 0.450 541 A N -1.067 121.693 122.820 -0.100 0.000 1.933 541 A HA -0.248 4.074 4.320 0.003 0.000 0.218 541 A C 2.294 179.855 177.584 -0.037 0.000 1.175 541 A CA 1.853 53.848 52.037 -0.069 0.000 0.628 541 A CB -0.458 18.515 19.000 -0.046 0.000 0.814 541 A HN 0.602 nan 8.150 nan 0.000 0.444 542 E N -0.589 119.592 120.200 -0.031 0.000 2.072 542 E HA -0.182 4.170 4.350 0.003 0.000 0.191 542 E C 1.943 178.532 176.600 -0.017 0.000 0.985 542 E CA 1.243 57.634 56.400 -0.014 0.000 0.801 542 E CB -0.170 29.520 29.700 -0.016 0.000 0.750 542 E HN 0.480 nan 8.360 nan 0.000 0.452 543 L N 1.110 122.310 121.223 -0.039 0.000 2.043 543 L HA -0.211 4.131 4.340 0.003 0.000 0.212 543 L C 2.121 178.996 176.870 0.008 0.000 1.075 543 L CA 1.625 56.447 54.840 -0.028 0.000 0.752 543 L CB -0.429 41.596 42.059 -0.055 0.000 0.891 543 L HN 0.167 nan 8.230 nan 0.000 0.432 544 L N -0.918 120.298 121.223 -0.012 0.000 2.027 544 L HA -0.124 4.218 4.340 0.003 0.000 0.206 544 L C 2.703 179.670 176.870 0.162 0.000 1.074 544 L CA 1.073 55.941 54.840 0.048 0.000 0.745 544 L CB -0.988 40.994 42.059 -0.129 0.000 0.898 544 L HN 0.373 nan 8.230 nan 0.000 0.433 545 A N -0.341 122.527 122.820 0.080 0.000 1.908 545 A HA -0.283 4.039 4.320 0.003 0.000 0.218 545 A C 2.204 179.827 177.584 0.064 0.000 1.181 545 A CA 1.725 53.808 52.037 0.076 0.000 0.627 545 A CB -0.577 18.448 19.000 0.042 0.000 0.818 545 A HN 0.466 nan 8.150 nan 0.000 0.445 546 Q N -0.723 119.106 119.800 0.048 0.000 2.234 546 Q HA -0.130 4.212 4.340 0.003 0.000 0.206 546 Q C 1.155 177.178 176.000 0.039 0.000 0.980 546 Q CA 1.195 57.018 55.803 0.032 0.000 0.869 546 Q CB -0.026 28.723 28.738 0.018 0.000 0.912 546 Q HN 0.401 nan 8.270 nan 0.000 0.436 547 K N -1.039 119.411 120.400 0.084 0.000 2.458 547 K HA 0.095 4.417 4.320 0.003 0.000 0.194 547 K C 0.947 177.526 176.600 -0.035 0.000 1.024 547 K CA 0.777 57.106 56.287 0.070 0.000 1.108 547 K CB 0.904 33.516 32.500 0.187 0.000 0.846 547 K HN 0.356 nan 8.250 nan 0.000 0.518 548 G N 0.782 109.569 108.800 -0.022 0.000 2.175 548 G HA2 -0.278 3.684 3.960 0.003 0.000 0.244 548 G HA3 -0.278 3.684 3.960 0.003 0.000 0.244 548 G C -0.076 174.730 174.900 -0.157 0.000 0.982 548 G CA -0.234 44.802 45.100 -0.107 0.000 0.641 548 G HN 0.247 nan 8.290 nan 0.000 0.527 549 Y N 1.040 121.329 120.300 -0.019 0.000 2.457 549 Y HA 0.434 4.987 4.550 0.003 0.000 0.341 549 Y C 1.006 176.895 175.900 -0.019 0.000 1.240 549 Y CA 0.405 58.493 58.100 -0.021 0.000 1.437 549 Y CB 0.597 39.041 38.460 -0.027 0.000 1.328 549 Y HN 0.268 nan 8.280 nan 0.000 0.588 550 E N 2.002 122.301 120.200 0.164 0.000 2.115 550 E HA 0.519 4.871 4.350 0.003 0.000 0.282 550 E C -1.786 174.856 176.600 0.071 0.000 0.987 550 E CA -0.468 55.982 56.400 0.083 0.000 0.797 550 E CB 0.677 30.405 29.700 0.046 0.000 1.086 550 E HN 0.427 nan 8.360 nan 0.000 0.397 551 V N 3.271 123.211 119.914 0.044 0.000 2.680 551 V HA 0.471 4.593 4.120 0.003 0.000 0.309 551 V C -0.476 175.618 176.094 -0.000 0.000 1.052 551 V CA -0.810 61.500 62.300 0.016 0.000 0.908 551 V CB 2.080 33.908 31.823 0.010 0.000 1.001 551 V HN 0.672 nan 8.190 nan 0.000 0.431 552 S N 3.948 119.639 115.700 -0.015 0.000 2.557 552 S HA 0.673 5.145 4.470 0.003 0.000 0.291 552 S C -0.714 173.873 174.600 -0.021 0.000 1.116 552 S CA -0.373 57.816 58.200 -0.019 0.000 0.992 552 S CB 1.840 65.022 63.200 -0.030 0.000 1.028 552 S HN 0.735 nan 8.310 nan 0.000 0.484 553 I N 3.493 124.055 120.570 -0.012 0.000 2.362 553 I HA 0.570 4.742 4.170 0.003 0.000 0.289 553 I C -1.310 174.815 176.117 0.014 0.000 0.994 553 I CA -0.658 60.639 61.300 -0.004 0.000 1.158 553 I CB 0.718 38.712 38.000 -0.010 0.000 1.315 553 I HN 0.345 nan 8.210 nan 0.000 0.451 554 V N 6.275 126.217 119.914 0.046 0.000 2.398 554 V HA 0.556 4.678 4.120 0.003 0.000 0.286 554 V C 0.007 176.201 176.094 0.167 0.000 1.026 554 V CA -0.299 62.051 62.300 0.082 0.000 0.868 554 V CB 1.411 33.273 31.823 0.065 0.000 0.982 554 V HN 0.794 nan 8.190 nan 0.000 0.443 555 T N 6.198 120.833 114.554 0.134 0.000 3.105 555 T HA 0.427 4.779 4.350 0.003 0.000 0.321 555 T C -2.474 172.309 174.700 0.139 0.000 1.135 555 T CA -1.172 61.001 62.100 0.121 0.000 1.053 555 T CB 2.387 71.299 68.868 0.073 0.000 1.133 555 T HN 0.358 nan 8.240 nan 0.000 0.463 556 P HA 0.140 nan 4.420 nan 0.000 0.230 556 P C 0.735 178.087 177.300 0.085 0.000 1.158 556 P CA 0.399 63.543 63.100 0.074 0.000 0.769 556 P CB -0.011 31.773 31.700 0.140 0.000 0.807 557 G N -0.564 108.349 108.800 0.189 0.000 2.572 557 G HA2 0.309 4.271 3.960 0.003 0.000 0.261 557 G HA3 0.309 4.271 3.960 0.003 0.000 0.261 557 G C 1.092 176.042 174.900 0.084 0.000 1.197 557 G CA 0.127 45.282 45.100 0.092 0.000 0.870 557 G HN 0.085 nan 8.290 nan 0.000 0.548 558 A N 0.169 123.039 122.820 0.082 0.000 2.066 558 A HA 0.162 4.484 4.320 0.003 0.000 0.218 558 A C 1.240 178.880 177.584 0.094 0.000 1.157 558 A CA 1.056 53.155 52.037 0.103 0.000 0.670 558 A CB -0.082 18.991 19.000 0.122 0.000 0.804 558 A HN 0.638 nan 8.150 nan 0.000 0.453 559 Q N -1.367 118.489 119.800 0.093 0.000 2.433 559 Q HA 0.553 4.895 4.340 0.003 0.000 0.279 559 Q C -1.141 174.931 176.000 0.120 0.000 1.105 559 Q CA -0.885 54.974 55.803 0.093 0.000 0.815 559 Q CB 2.687 31.471 28.738 0.077 0.000 1.403 559 Q HN 0.082 nan 8.270 nan 0.000 0.435 560 V N 1.464 121.444 119.914 0.109 0.000 2.686 560 V HA 0.032 4.154 4.120 0.003 0.000 0.295 560 V C 0.076 176.261 176.094 0.152 0.000 1.055 560 V CA 0.254 62.626 62.300 0.119 0.000 1.050 560 V CB 1.212 33.087 31.823 0.088 0.000 0.984 560 V HN 1.013 nan 8.190 nan 0.000 0.482 561 S N 2.707 118.521 115.700 0.190 0.000 3.711 561 S HA -0.185 4.287 4.470 0.003 0.000 0.374 561 S C 1.401 176.154 174.600 0.255 0.000 0.969 561 S CA 0.634 58.991 58.200 0.261 0.000 1.198 561 S CB -1.384 61.978 63.200 0.269 0.000 0.903 561 S HN 1.061 nan 8.310 nan 0.000 0.493 562 S N -0.911 114.936 115.700 0.244 0.000 2.419 562 S HA -0.149 4.323 4.470 0.003 0.000 0.233 562 S C 1.159 175.840 174.600 0.135 0.000 1.016 562 S CA 1.113 59.402 58.200 0.149 0.000 0.974 562 S CB -0.355 62.905 63.200 0.099 0.000 0.786 562 S HN 0.838 nan 8.310 nan 0.000 0.492 563 W N 3.223 124.558 121.300 0.058 0.000 2.467 563 W HA -0.062 4.599 4.660 0.003 0.000 0.275 563 W C 2.298 178.782 176.519 -0.058 0.000 1.239 563 W CA 1.486 58.808 57.345 -0.038 0.000 1.266 563 W CB -0.656 28.749 29.460 -0.092 0.000 1.112 563 W HN 0.406 nan 8.180 nan 0.000 0.576 564 T N -2.008 112.633 114.554 0.145 0.000 3.139 564 T HA -0.169 4.183 4.350 0.003 0.000 0.267 564 T C 1.525 176.128 174.700 -0.163 0.000 1.164 564 T CA 1.013 63.140 62.100 0.044 0.000 1.075 564 T CB -0.699 68.329 68.868 0.267 0.000 0.904 564 T HN 0.179 nan 8.240 nan 0.000 0.540 565 N N 2.130 120.687 118.700 -0.239 0.000 2.334 565 N HA -0.092 4.650 4.740 0.003 0.000 0.187 565 N C 1.340 176.498 175.510 -0.587 0.000 1.016 565 N CA 1.014 53.854 53.050 -0.350 0.000 0.879 565 N CB -0.203 38.116 38.487 -0.280 0.000 0.965 565 N HN 0.559 nan 8.380 nan 0.000 0.438 566 N N -0.332 117.930 118.700 -0.731 0.000 2.392 566 N HA -0.009 4.733 4.740 0.003 0.000 0.177 566 N C 0.918 176.023 175.510 -0.676 0.000 1.066 566 N CA 0.684 53.219 53.050 -0.860 0.000 0.895 566 N CB 0.375 38.035 38.487 -1.379 0.000 0.988 566 N HN 0.332 nan 8.380 nan 0.000 0.457 567 T N -3.079 111.188 114.554 -0.479 0.000 3.182 567 T HA 0.241 4.593 4.350 0.003 0.000 0.277 567 T C 0.285 174.962 174.700 -0.039 0.000 1.013 567 T CA -0.508 61.481 62.100 -0.186 0.000 0.900 567 T CB -0.506 68.386 68.868 0.040 0.000 1.098 567 T HN -0.012 nan 8.240 nan 0.000 0.543 568 F N 1.693 121.511 119.950 -0.221 0.000 3.069 568 F HA -0.215 4.314 4.527 0.003 0.000 0.285 568 F C 0.976 176.712 175.800 -0.107 0.000 0.827 568 F CA 1.052 58.933 58.000 -0.199 0.000 1.108 568 F CB -2.168 36.641 39.000 -0.317 0.000 1.252 568 F HN 0.441 nan 8.300 nan 0.000 0.483 569 E N -1.115 119.139 120.200 0.091 0.000 2.476 569 E HA 0.122 4.474 4.350 0.003 0.000 0.199 569 E C 1.925 178.528 176.600 0.005 0.000 1.021 569 E CA 0.521 56.964 56.400 0.072 0.000 0.907 569 E CB 0.260 30.140 29.700 0.300 0.000 0.974 569 E HN 0.390 nan 8.360 nan 0.000 0.489 570 V N 2.313 122.235 119.914 0.013 0.000 2.332 570 V HA -0.296 3.826 4.120 0.003 0.000 0.248 570 V C 1.685 177.777 176.094 -0.004 0.000 1.055 570 V CA 1.957 64.271 62.300 0.023 0.000 1.038 570 V CB -0.253 31.572 31.823 0.003 0.000 0.651 570 V HN 0.331 nan 8.190 nan 0.000 0.450 571 N N 0.137 118.819 118.700 -0.029 0.000 2.084 571 N HA -0.158 4.584 4.740 0.003 0.000 0.190 571 N C 1.887 177.330 175.510 -0.111 0.000 1.030 571 N CA 1.622 54.647 53.050 -0.041 0.000 0.849 571 N CB -0.453 38.021 38.487 -0.022 0.000 1.012 571 N HN 0.517 nan 8.380 nan 0.000 0.423 572 R N 0.716 121.064 120.500 -0.254 0.000 2.117 572 R HA -0.042 4.300 4.340 0.003 0.000 0.243 572 R C 2.290 178.381 176.300 -0.349 0.000 1.143 572 R CA 0.918 56.706 56.100 -0.520 0.000 0.968 572 R CB -0.388 29.154 30.300 -1.262 0.000 0.863 572 R HN 0.248 nan 8.270 nan 0.000 0.444 573 I N 0.816 121.301 120.570 -0.141 0.000 2.202 573 I HA -0.276 3.896 4.170 0.003 0.000 0.242 573 I C 2.468 178.645 176.117 0.100 0.000 1.091 573 I CA 1.183 62.568 61.300 0.141 0.000 1.368 573 I CB -0.172 37.952 38.000 0.207 0.000 1.058 573 I HN 0.139 nan 8.210 nan 0.000 0.410 574 Q N 0.288 120.119 119.800 0.052 0.000 2.050 574 Q HA -0.254 4.088 4.340 0.003 0.000 0.202 574 Q C 2.222 178.248 176.000 0.043 0.000 0.980 574 Q CA 1.512 57.346 55.803 0.051 0.000 0.840 574 Q CB -0.744 28.018 28.738 0.040 0.000 0.898 574 Q HN 0.461 nan 8.270 nan 0.000 0.424 575 R N 0.870 121.382 120.500 0.019 0.000 2.113 575 R HA -0.177 4.165 4.340 0.003 0.000 0.244 575 R C 2.390 178.722 176.300 0.053 0.000 1.142 575 R CA 1.952 58.065 56.100 0.021 0.000 0.953 575 R CB -0.158 30.136 30.300 -0.010 0.000 0.860 575 R HN 0.173 nan 8.270 nan 0.000 0.438 576 R N 0.306 120.860 120.500 0.091 0.000 2.148 576 R HA -0.071 4.271 4.340 0.003 0.000 0.227 576 R C 2.079 178.438 176.300 0.100 0.000 1.103 576 R CA 1.133 57.315 56.100 0.137 0.000 0.983 576 R CB -0.112 30.354 30.300 0.277 0.000 0.874 576 R HN 0.296 nan 8.270 nan 0.000 0.451 577 L N 0.126 121.401 121.223 0.086 0.000 2.109 577 L HA -0.080 4.262 4.340 0.003 0.000 0.207 577 L C 2.284 179.183 176.870 0.047 0.000 1.086 577 L CA 0.875 55.752 54.840 0.063 0.000 0.760 577 L CB -0.259 41.836 42.059 0.060 0.000 0.910 577 L HN 0.198 nan 8.230 nan 0.000 0.437 578 I N 0.008 120.605 120.570 0.045 0.000 2.179 578 I HA -0.278 3.894 4.170 0.003 0.000 0.242 578 I C 2.365 178.503 176.117 0.034 0.000 1.088 578 I CA 1.421 62.743 61.300 0.035 0.000 1.357 578 I CB -0.321 37.698 38.000 0.032 0.000 1.051 578 I HN 0.250 nan 8.210 nan 0.000 0.409 579 E N 0.653 120.878 120.200 0.040 0.000 2.209 579 E HA -0.192 4.160 4.350 0.003 0.000 0.196 579 E C 1.353 177.974 176.600 0.035 0.000 0.993 579 E CA 0.850 57.273 56.400 0.038 0.000 0.819 579 E CB -0.193 29.535 29.700 0.047 0.000 0.745 579 E HN 0.482 nan 8.360 nan 0.000 0.477 580 N N -0.151 118.572 118.700 0.038 0.000 2.322 580 N HA -0.002 4.740 4.740 0.003 0.000 0.194 580 N C 0.693 176.219 175.510 0.028 0.000 1.126 580 N CA 0.705 53.775 53.050 0.033 0.000 0.845 580 N CB 1.081 39.589 38.487 0.036 0.000 0.976 580 N HN 0.217 nan 8.380 nan 0.000 0.475 581 G N 0.939 109.754 108.800 0.026 0.000 2.225 581 G HA2 -0.267 3.695 3.960 0.003 0.000 0.267 581 G HA3 -0.267 3.695 3.960 0.003 0.000 0.267 581 G C 0.080 174.993 174.900 0.021 0.000 1.024 581 G CA 0.152 45.265 45.100 0.022 0.000 0.784 581 G HN 0.175 nan 8.290 nan 0.000 0.507 582 V N 0.771 120.699 119.914 0.023 0.000 2.455 582 V HA 0.590 4.712 4.120 0.003 0.000 0.273 582 V C 1.054 177.157 176.094 0.015 0.000 1.045 582 V CA -0.181 62.130 62.300 0.019 0.000 0.976 582 V CB 1.017 32.852 31.823 0.020 0.000 0.993 582 V HN 1.003 nan 8.190 nan 0.000 0.475 583 A N 6.343 129.167 122.820 0.007 0.000 2.401 583 A HA 0.517 4.839 4.320 0.003 0.000 0.259 583 A C 0.407 177.992 177.584 0.002 0.000 1.103 583 A CA -0.391 51.647 52.037 0.002 0.000 0.789 583 A CB 0.125 19.119 19.000 -0.009 0.000 1.035 583 A HN 0.853 nan 8.150 nan 0.000 0.491 584 R N 2.054 122.559 120.500 0.009 0.000 2.233 584 R HA 0.372 4.714 4.340 0.003 0.000 0.334 584 R C -1.124 175.181 176.300 0.010 0.000 1.037 584 R CA -0.361 55.750 56.100 0.018 0.000 0.920 584 R CB 1.229 31.550 30.300 0.035 0.000 1.137 584 R HN 0.424 nan 8.270 nan 0.000 0.492 585 V N 3.807 123.717 119.914 -0.007 0.000 2.174 585 V HA 0.058 4.180 4.120 0.003 0.000 0.259 585 V C 0.764 176.889 176.094 0.051 0.000 1.261 585 V CA -0.461 61.810 62.300 -0.048 0.000 1.137 585 V CB 0.062 31.789 31.823 -0.160 0.000 1.290 585 V HN 0.783 nan 8.190 nan 0.000 0.486 586 T N -0.884 113.731 114.554 0.102 0.000 2.849 586 T HA 0.307 4.659 4.350 0.003 0.000 0.284 586 T C 0.323 175.131 174.700 0.181 0.000 1.004 586 T CA -0.392 61.784 62.100 0.128 0.000 1.021 586 T CB 1.007 69.937 68.868 0.103 0.000 1.013 586 T HN 0.576 nan 8.240 nan 0.000 0.527 587 D N 0.553 120.979 120.400 0.042 0.000 2.800 587 D HA -0.150 4.492 4.640 0.003 0.000 0.232 587 D C -0.552 175.547 176.300 -0.334 0.000 1.137 587 D CA 1.097 54.976 54.000 -0.201 0.000 0.718 587 D CB -1.510 39.109 40.800 -0.301 0.000 1.084 587 D HN 0.825 nan 8.370 nan 0.000 0.432 588 H N -1.184 117.794 119.070 -0.153 0.000 2.894 588 H HA 0.704 5.262 4.556 0.003 0.000 0.367 588 H C -0.143 175.041 175.328 -0.239 0.000 1.144 588 H CA -0.050 55.886 56.048 -0.186 0.000 1.180 588 H CB 1.754 31.445 29.762 -0.120 0.000 1.758 588 H HN 0.130 nan 8.280 nan 0.000 0.541 589 A N 2.007 124.626 122.820 -0.334 0.000 2.337 589 A HA 0.618 4.940 4.320 0.003 0.000 0.331 589 A C -0.776 176.571 177.584 -0.395 0.000 1.137 589 A CA -0.715 51.031 52.037 -0.485 0.000 0.807 589 A CB 1.010 19.232 19.000 -1.298 0.000 1.250 589 A HN 0.472 nan 8.150 nan 0.000 0.468 590 V N 2.480 121.977 119.914 -0.695 0.000 2.408 590 V HA 0.244 4.366 4.120 0.003 0.000 0.267 590 V C 1.033 176.953 176.094 -0.290 0.000 1.047 590 V CA 0.435 62.391 62.300 -0.574 0.000 0.937 590 V CB 0.948 32.228 31.823 -0.906 0.000 0.999 590 V HN 0.985 nan 8.190 nan 0.000 0.472 591 V N 2.010 121.855 119.914 -0.114 0.000 3.528 591 V HA 0.811 4.933 4.120 0.003 0.000 0.294 591 V C 0.477 176.538 176.094 -0.056 0.000 1.404 591 V CA 0.488 62.802 62.300 0.024 0.000 1.065 591 V CB 0.085 31.988 31.823 0.133 0.000 0.904 591 V HN 0.892 nan 8.190 nan 0.000 0.435 592 A N -0.449 122.312 122.820 -0.098 0.000 2.582 592 A HA 0.742 5.064 4.320 0.003 0.000 0.297 592 A C -1.319 176.212 177.584 -0.089 0.000 1.059 592 A CA -0.343 51.645 52.037 -0.082 0.000 0.705 592 A CB 1.848 20.821 19.000 -0.044 0.000 1.279 592 A HN 0.430 nan 8.150 nan 0.000 0.404 593 V N 2.131 121.999 119.914 -0.077 0.000 2.378 593 V HA 0.692 4.814 4.120 0.003 0.000 0.288 593 V C 0.859 176.926 176.094 -0.045 0.000 1.016 593 V CA 0.292 62.553 62.300 -0.065 0.000 0.840 593 V CB 1.327 33.113 31.823 -0.062 0.000 0.994 593 V HN 1.356 nan 8.190 nan 0.000 0.431 594 G N 2.643 111.420 108.800 -0.038 0.000 2.552 594 G HA2 0.565 4.527 3.960 0.003 0.000 0.318 594 G HA3 0.565 4.527 3.960 0.003 0.000 0.318 594 G C 0.973 175.859 174.900 -0.024 0.000 1.240 594 G CA 0.042 45.126 45.100 -0.028 0.000 1.002 594 G HN 0.856 nan 8.290 nan 0.000 0.493 595 A N -1.225 121.584 122.820 -0.018 0.000 2.019 595 A HA 0.251 4.573 4.320 0.003 0.000 0.219 595 A C 1.833 179.409 177.584 -0.014 0.000 1.164 595 A CA 1.994 54.022 52.037 -0.015 0.000 0.644 595 A CB -0.216 18.778 19.000 -0.011 0.000 0.805 595 A HN 1.411 nan 8.150 nan 0.000 0.449 596 G N -2.052 106.738 108.800 -0.016 0.000 4.238 596 G HA2 0.519 4.481 3.960 0.003 0.000 0.292 596 G HA3 0.519 4.481 3.960 0.003 0.000 0.292 596 G C 0.188 175.077 174.900 -0.018 0.000 1.036 596 G CA 0.642 45.733 45.100 -0.014 0.000 0.812 596 G HN 1.164 nan 8.290 nan 0.000 0.489 597 G N -0.864 107.921 108.800 -0.025 0.000 2.342 597 G HA2 0.587 4.549 3.960 0.003 0.000 0.297 597 G HA3 0.587 4.549 3.960 0.003 0.000 0.297 597 G C -1.391 173.484 174.900 -0.042 0.000 1.313 597 G CA 0.232 45.313 45.100 -0.032 0.000 0.830 597 G HN 1.069 nan 8.290 nan 0.000 0.506 598 V N -2.658 117.224 119.914 -0.053 0.000 2.960 598 V HA 0.933 5.055 4.120 0.003 0.000 0.315 598 V C -0.120 175.935 176.094 -0.066 0.000 1.087 598 V CA -0.772 61.486 62.300 -0.070 0.000 0.982 598 V CB 1.637 33.401 31.823 -0.099 0.000 1.039 598 V HN 0.910 nan 8.190 nan 0.000 0.437 599 T N 3.172 117.685 114.554 -0.068 0.000 2.767 599 T HA 0.625 4.977 4.350 0.003 0.000 0.284 599 T C -0.101 174.559 174.700 -0.067 0.000 0.973 599 T CA -0.268 61.802 62.100 -0.051 0.000 0.996 599 T CB 1.083 69.932 68.868 -0.032 0.000 0.927 599 T HN 1.295 nan 8.240 nan 0.000 0.456 600 V N 1.900 121.787 119.914 -0.044 0.000 2.547 600 V HA 0.729 4.851 4.120 0.003 0.000 0.299 600 V C -0.198 175.927 176.094 0.052 0.000 1.040 600 V CA -1.287 60.998 62.300 -0.024 0.000 0.913 600 V CB 1.636 33.443 31.823 -0.027 0.000 0.992 600 V HN 0.863 nan 8.190 nan 0.000 0.449 601 R N 2.766 123.271 120.500 0.008 0.000 2.360 601 R HA 0.371 4.713 4.340 0.003 0.000 0.318 601 R C -0.509 175.693 176.300 -0.164 0.000 0.950 601 R CA -0.409 55.678 56.100 -0.023 0.000 0.837 601 R CB 1.148 31.441 30.300 -0.011 0.000 1.165 601 R HN 1.084 nan 8.270 nan 0.000 0.458 602 D N 2.717 122.969 120.400 -0.248 0.000 2.493 602 D HA -0.084 4.558 4.640 0.003 0.000 0.240 602 D C 1.004 177.079 176.300 -0.376 0.000 1.142 602 D CA 0.265 53.895 54.000 -0.617 0.000 0.872 602 D CB 1.464 42.038 40.800 -0.377 0.000 1.173 602 D HN 0.617 nan 8.370 nan 0.000 0.467 603 T N 1.318 115.566 114.554 -0.511 0.000 3.035 603 T HA -0.123 4.229 4.350 0.003 0.000 0.268 603 T C 1.175 175.746 174.700 -0.216 0.000 1.109 603 T CA 0.801 62.700 62.100 -0.335 0.000 1.119 603 T CB -0.333 68.278 68.868 -0.429 0.000 0.900 603 T HN 0.479 nan 8.240 nan 0.000 0.503 604 Y N 1.378 121.650 120.300 -0.046 0.000 2.314 604 Y HA 0.652 5.204 4.550 0.003 0.000 0.294 604 Y C 2.603 178.496 175.900 -0.011 0.000 1.139 604 Y CA -0.384 57.705 58.100 -0.018 0.000 1.162 604 Y CB -0.503 37.943 38.460 -0.025 0.000 1.121 604 Y HN 0.306 nan 8.280 nan 0.000 0.529 605 A N -1.333 121.573 122.820 0.142 0.000 2.470 605 A HA 0.416 4.738 4.320 0.003 0.000 0.251 605 A C 0.912 178.524 177.584 0.047 0.000 1.245 605 A CA 0.497 52.585 52.037 0.084 0.000 0.932 605 A CB -0.285 18.761 19.000 0.076 0.000 1.037 605 A HN 0.156 nan 8.150 nan 0.000 0.522 606 S N -0.789 114.927 115.700 0.028 0.000 3.698 606 S HA -0.145 4.327 4.470 0.003 0.000 0.338 606 S C 0.027 174.638 174.600 0.019 0.000 1.089 606 S CA 0.810 59.023 58.200 0.023 0.000 0.991 606 S CB -1.834 61.391 63.200 0.041 0.000 0.909 606 S HN 0.572 nan 8.310 nan 0.000 0.485 607 I N 1.674 122.249 120.570 0.009 0.000 2.342 607 I HA 0.239 4.411 4.170 0.003 0.000 0.291 607 I C 0.595 176.737 176.117 0.042 0.000 1.010 607 I CA -0.089 61.228 61.300 0.029 0.000 1.308 607 I CB 1.000 39.025 38.000 0.041 0.000 1.400 607 I HN 0.186 nan 8.210 nan 0.000 0.488 608 E N 7.084 127.309 120.200 0.042 0.000 2.151 608 E HA 0.457 4.809 4.350 0.003 0.000 0.275 608 E C -0.798 175.826 176.600 0.040 0.000 0.936 608 E CA -0.876 55.550 56.400 0.044 0.000 0.777 608 E CB 1.619 31.336 29.700 0.028 0.000 1.108 608 E HN 0.390 nan 8.360 nan 0.000 0.401 609 R N 1.912 122.436 120.500 0.040 0.000 2.828 609 R HA 0.393 4.735 4.340 0.003 0.000 0.264 609 R C -0.189 176.105 176.300 -0.010 0.000 1.022 609 R CA -0.927 55.180 56.100 0.012 0.000 1.021 609 R CB 1.142 31.443 30.300 0.001 0.000 1.163 609 R HN 0.489 nan 8.270 nan 0.000 0.494 610 E N 1.457 121.646 120.200 -0.018 0.000 2.242 610 E HA 0.380 4.732 4.350 0.003 0.000 0.275 610 E C -0.505 176.071 176.600 -0.040 0.000 1.002 610 E CA -0.694 55.689 56.400 -0.028 0.000 0.841 610 E CB 1.730 31.418 29.700 -0.021 0.000 1.109 610 E HN 0.324 nan 8.360 nan 0.000 0.394 611 L N 1.862 123.056 121.223 -0.049 0.000 2.376 611 L HA 0.299 4.641 4.340 0.003 0.000 0.275 611 L C -0.481 176.364 176.870 -0.042 0.000 0.987 611 L CA -0.465 54.343 54.840 -0.053 0.000 0.828 611 L CB 1.461 43.475 42.059 -0.074 0.000 1.249 611 L HN 0.395 nan 8.230 nan 0.000 0.409 612 E N 3.555 123.736 120.200 -0.032 0.000 2.249 612 E HA 0.533 4.885 4.350 0.003 0.000 0.280 612 E C -0.984 175.604 176.600 -0.021 0.000 1.016 612 E CA -0.483 55.903 56.400 -0.024 0.000 0.830 612 E CB 1.565 31.255 29.700 -0.017 0.000 1.081 612 E HN 0.646 nan 8.360 nan 0.000 0.395 613 C N -0.176 119.113 119.300 -0.018 0.000 3.311 613 C HA 0.388 4.850 4.460 0.003 0.000 0.325 613 C C 0.159 175.144 174.990 -0.007 0.000 1.352 613 C CA -0.784 58.227 59.018 -0.012 0.000 1.308 613 C CB 1.206 28.932 27.740 -0.022 0.000 1.619 613 C HN 0.715 nan 8.230 nan 0.000 0.469 614 D N 0.762 121.164 120.400 0.004 0.000 2.367 614 D HA 0.407 5.049 4.640 0.003 0.000 0.207 614 D C 0.661 176.960 176.300 -0.001 0.000 1.034 614 D CA 1.347 55.353 54.000 0.010 0.000 0.861 614 D CB 1.076 41.897 40.800 0.035 0.000 0.943 614 D HN 1.071 nan 8.370 nan 0.000 0.515 615 A N -0.044 122.765 122.820 -0.018 0.000 2.605 615 A HA 0.541 4.863 4.320 0.003 0.000 0.294 615 A C -1.563 175.985 177.584 -0.059 0.000 1.062 615 A CA -0.530 51.482 52.037 -0.041 0.000 0.682 615 A CB 1.609 20.573 19.000 -0.058 0.000 1.278 615 A HN -0.106 nan 8.150 nan 0.000 0.410 616 V N 1.160 121.036 119.914 -0.062 0.000 2.531 616 V HA 0.542 4.664 4.120 0.003 0.000 0.301 616 V C -0.718 175.331 176.094 -0.075 0.000 1.034 616 V CA -0.522 61.742 62.300 -0.059 0.000 0.865 616 V CB 1.817 33.617 31.823 -0.039 0.000 0.995 616 V HN 0.786 nan 8.190 nan 0.000 0.424 617 V N 5.883 125.743 119.914 -0.090 0.000 2.347 617 V HA 0.449 4.571 4.120 0.003 0.000 0.280 617 V C 0.066 176.106 176.094 -0.090 0.000 1.021 617 V CA -0.556 61.671 62.300 -0.122 0.000 0.847 617 V CB 1.616 33.329 31.823 -0.183 0.000 0.990 617 V HN 0.718 nan 8.190 nan 0.000 0.444 618 M N 5.278 124.834 119.600 -0.074 0.000 2.105 618 M HA 0.372 4.854 4.480 0.003 0.000 0.350 618 M C -0.587 175.628 176.300 -0.141 0.000 1.308 618 M CA -0.181 55.099 55.300 -0.033 0.000 1.108 618 M CB 1.176 33.797 32.600 0.036 0.000 1.622 618 M HN 0.335 nan 8.290 nan 0.000 0.468 619 V N 4.720 124.504 119.914 -0.217 0.000 2.266 619 V HA 0.282 4.404 4.120 0.003 0.000 0.271 619 V C 0.848 176.801 176.094 -0.235 0.000 1.032 619 V CA -0.117 61.982 62.300 -0.335 0.000 0.806 619 V CB 0.803 32.355 31.823 -0.451 0.000 1.052 619 V HN 1.041 nan 8.190 nan 0.000 0.449 620 T N 1.469 116.038 114.554 0.024 0.000 3.393 620 T HA 0.769 5.121 4.350 0.003 0.000 0.231 620 T C 0.550 175.411 174.700 0.268 0.000 0.983 620 T CA 0.619 62.746 62.100 0.045 0.000 1.272 620 T CB 0.939 69.813 68.868 0.010 0.000 1.214 620 T HN 0.903 nan 8.240 nan 0.000 0.368 621 A N 0.265 123.247 122.820 0.269 0.000 2.524 621 A HA 0.850 5.172 4.320 0.003 0.000 0.303 621 A C -1.562 175.892 177.584 -0.216 0.000 1.195 621 A CA -1.151 50.884 52.037 -0.003 0.000 0.651 621 A CB 0.888 19.873 19.000 -0.026 0.000 1.323 621 A HN 0.496 nan 8.150 nan 0.000 0.479 622 R N -0.811 119.470 120.500 -0.365 0.000 2.725 622 R HA 0.659 5.001 4.340 0.003 0.000 0.277 622 R C -1.858 174.300 176.300 -0.237 0.000 0.987 622 R CA -0.792 55.047 56.100 -0.435 0.000 0.901 622 R CB 1.799 31.655 30.300 -0.739 0.000 1.207 622 R HN 0.412 nan 8.270 nan 0.000 0.463 623 L N 3.359 124.476 121.223 -0.177 0.000 2.329 623 L HA 0.514 4.856 4.340 0.003 0.000 0.279 623 L C -2.187 174.616 176.870 -0.111 0.000 1.014 623 L CA -2.659 52.111 54.840 -0.117 0.000 0.814 623 L CB 1.292 43.312 42.059 -0.065 0.000 1.257 623 L HN 0.462 nan 8.230 nan 0.000 0.424 624 P HA 0.098 nan 4.420 nan 0.000 0.268 624 P C -0.464 176.820 177.300 -0.027 0.000 1.205 624 P CA -0.329 62.732 63.100 -0.066 0.000 0.771 624 P CB 0.472 32.130 31.700 -0.070 0.000 0.858 625 R N 2.137 122.632 120.500 -0.007 0.000 3.268 625 R HA 0.034 4.376 4.340 0.003 0.000 0.217 625 R C 1.238 177.565 176.300 0.044 0.000 1.568 625 R CA 0.111 56.223 56.100 0.020 0.000 1.322 625 R CB -0.412 29.903 30.300 0.025 0.000 1.280 625 R HN 0.551 nan 8.270 nan 0.000 0.667 626 E N 0.005 120.238 120.200 0.056 0.000 2.548 626 E HA 0.001 4.353 4.350 0.003 0.000 0.206 626 E C 0.070 176.759 176.600 0.148 0.000 1.005 626 E CA -0.095 56.373 56.400 0.113 0.000 0.951 626 E CB 0.518 30.278 29.700 0.100 0.000 1.035 626 E HN 0.330 nan 8.360 nan 0.000 0.470 627 E N 0.998 121.255 120.200 0.095 0.000 2.070 627 E HA -0.215 4.137 4.350 0.003 0.000 0.197 627 E C 1.783 178.437 176.600 0.090 0.000 1.004 627 E CA 1.218 57.666 56.400 0.081 0.000 0.805 627 E CB -0.270 29.463 29.700 0.054 0.000 0.744 627 E HN 0.276 nan 8.360 nan 0.000 0.451 628 L N -0.039 121.240 121.223 0.094 0.000 2.012 628 L HA -0.196 4.146 4.340 0.003 0.000 0.210 628 L C 2.307 179.245 176.870 0.114 0.000 1.073 628 L CA 1.798 56.689 54.840 0.085 0.000 0.748 628 L CB -0.707 41.395 42.059 0.072 0.000 0.891 628 L HN 0.245 nan 8.230 nan 0.000 0.431 629 Y N -0.442 119.885 120.300 0.045 0.000 2.165 629 Y HA -0.251 4.300 4.550 0.003 0.000 0.286 629 Y C 2.190 178.129 175.900 0.066 0.000 1.155 629 Y CA 2.022 60.160 58.100 0.062 0.000 1.164 629 Y CB -0.295 38.229 38.460 0.107 0.000 0.978 629 Y HN 0.205 nan 8.280 nan 0.000 0.513 630 L N -0.056 121.236 121.223 0.114 0.000 2.083 630 L HA -0.201 4.141 4.340 0.003 0.000 0.209 630 L C 2.241 179.076 176.870 -0.059 0.000 1.083 630 L CA 1.569 56.416 54.840 0.011 0.000 0.752 630 L CB -0.632 41.486 42.059 0.098 0.000 0.899 630 L HN 0.251 nan 8.230 nan 0.000 0.433 631 D N 0.470 120.856 120.400 -0.023 0.000 2.084 631 D HA -0.164 4.478 4.640 0.003 0.000 0.194 631 D C 2.243 178.507 176.300 -0.061 0.000 0.990 631 D CA 1.419 55.404 54.000 -0.024 0.000 0.826 631 D CB -0.003 40.800 40.800 0.005 0.000 0.971 631 D HN 0.190 nan 8.370 nan 0.000 0.453 632 L N -0.398 120.771 121.223 -0.091 0.000 2.217 632 L HA -0.074 4.268 4.340 0.003 0.000 0.211 632 L C 2.607 179.378 176.870 -0.164 0.000 1.107 632 L CA 0.194 54.972 54.840 -0.103 0.000 0.783 632 L CB -0.130 41.880 42.059 -0.081 0.000 0.919 632 L HN -0.038 nan 8.230 nan 0.000 0.442 633 V N 0.166 119.905 119.914 -0.291 0.000 2.343 633 V HA -0.328 3.794 4.120 0.003 0.000 0.247 633 V C 2.762 178.779 176.094 -0.128 0.000 1.051 633 V CA 1.873 64.011 62.300 -0.270 0.000 1.036 633 V CB -0.766 30.832 31.823 -0.374 0.000 0.654 633 V HN 0.495 nan 8.190 nan 0.000 0.451 634 A N 0.163 122.926 122.820 -0.096 0.000 1.851 634 A HA -0.262 4.060 4.320 0.003 0.000 0.216 634 A C 2.325 179.883 177.584 -0.043 0.000 1.195 634 A CA 2.062 54.069 52.037 -0.051 0.000 0.622 634 A CB -0.597 18.383 19.000 -0.033 0.000 0.831 634 A HN 0.516 nan 8.150 nan 0.000 0.444 635 R N -1.057 119.417 120.500 -0.043 0.000 2.159 635 R HA -0.113 4.229 4.340 0.003 0.000 0.237 635 R C 2.409 178.690 176.300 -0.032 0.000 1.131 635 R CA 1.167 57.249 56.100 -0.029 0.000 0.982 635 R CB -0.354 29.934 30.300 -0.019 0.000 0.868 635 R HN 0.518 nan 8.270 nan 0.000 0.453 636 R N 1.181 121.653 120.500 -0.047 0.000 2.092 636 R HA -0.116 4.226 4.340 0.003 0.000 0.231 636 R C 0.475 176.758 176.300 -0.029 0.000 1.119 636 R CA 1.503 57.580 56.100 -0.039 0.000 0.970 636 R CB 0.043 30.313 30.300 -0.050 0.000 0.864 636 R HN 0.113 nan 8.270 nan 0.000 0.440 637 D N -0.113 120.269 120.400 -0.030 0.000 2.349 637 D HA 0.024 4.666 4.640 0.003 0.000 0.224 637 D C 0.804 177.094 176.300 -0.016 0.000 1.029 637 D CA 0.575 54.563 54.000 -0.020 0.000 0.879 637 D CB 0.570 41.359 40.800 -0.018 0.000 0.906 637 D HN 0.288 nan 8.370 nan 0.000 0.528 638 A N -0.351 122.459 122.820 -0.017 0.000 2.345 638 A HA 0.477 4.799 4.320 0.003 0.000 0.225 638 A C 1.760 179.335 177.584 -0.014 0.000 1.243 638 A CA 0.557 52.586 52.037 -0.014 0.000 0.875 638 A CB -0.103 18.889 19.000 -0.013 0.000 0.929 638 A HN 0.155 nan 8.150 nan 0.000 0.502 639 G N -0.160 108.630 108.800 -0.016 0.000 2.166 639 G HA2 -0.330 3.632 3.960 0.003 0.000 0.260 639 G HA3 -0.330 3.632 3.960 0.003 0.000 0.260 639 G C 0.627 175.515 174.900 -0.019 0.000 0.986 639 G CA 0.891 45.980 45.100 -0.017 0.000 0.683 639 G HN 0.608 nan 8.290 nan 0.000 0.527 640 E N -0.537 119.653 120.200 -0.017 0.000 2.107 640 E HA 0.156 4.508 4.350 0.003 0.000 0.191 640 E C 1.720 178.309 176.600 -0.017 0.000 0.982 640 E CA 1.134 57.525 56.400 -0.014 0.000 0.809 640 E CB 0.111 29.807 29.700 -0.007 0.000 0.756 640 E HN 0.898 nan 8.360 nan 0.000 0.459 641 I N -4.425 116.131 120.570 -0.023 0.000 3.067 641 I HA 0.584 4.756 4.170 0.003 0.000 0.312 641 I C 0.496 176.578 176.117 -0.058 0.000 1.073 641 I CA -0.762 60.516 61.300 -0.037 0.000 1.016 641 I CB 1.945 39.936 38.000 -0.015 0.000 1.227 641 I HN -0.230 nan 8.210 nan 0.000 0.456 642 A N 2.498 125.249 122.820 -0.114 0.000 1.956 642 A HA 0.332 4.654 4.320 0.003 0.000 0.212 642 A C 0.987 178.568 177.584 -0.006 0.000 1.188 642 A CA 1.023 53.000 52.037 -0.101 0.000 0.675 642 A CB -0.407 18.455 19.000 -0.231 0.000 0.845 642 A HN 0.972 nan 8.150 nan 0.000 0.455 643 S N -1.909 113.821 115.700 0.049 0.000 2.550 643 S HA 0.607 5.079 4.470 0.003 0.000 0.270 643 S C -1.331 173.339 174.600 0.118 0.000 1.145 643 S CA -0.242 58.038 58.200 0.132 0.000 0.852 643 S CB 1.508 64.857 63.200 0.248 0.000 1.119 643 S HN 1.096 nan 8.310 nan 0.000 0.465 644 V N 1.938 121.899 119.914 0.078 0.000 2.760 644 V HA 0.842 4.964 4.120 0.003 0.000 0.309 644 V C -1.172 174.997 176.094 0.125 0.000 1.077 644 V CA -0.629 61.720 62.300 0.081 0.000 0.910 644 V CB 2.069 33.894 31.823 0.003 0.000 1.008 644 V HN 1.151 nan 8.190 nan 0.000 0.424 645 R N 4.019 124.589 120.500 0.117 0.000 2.514 645 R HA 0.680 5.022 4.340 0.003 0.000 0.296 645 R C -0.141 176.126 176.300 -0.055 0.000 1.012 645 R CA -0.110 56.000 56.100 0.015 0.000 0.897 645 R CB 1.834 32.084 30.300 -0.083 0.000 1.184 645 R HN 0.972 nan 8.270 nan 0.000 0.440 646 G N 5.028 113.652 108.800 -0.294 0.000 2.390 646 G HA2 0.485 4.447 3.960 0.003 0.000 0.270 646 G HA3 0.485 4.447 3.960 0.003 0.000 0.270 646 G C -0.147 174.491 174.900 -0.437 0.000 1.211 646 G CA -0.502 44.365 45.100 -0.389 0.000 0.842 646 G HN 0.681 nan 8.290 nan 0.000 0.519 647 I N -0.844 119.629 120.570 -0.161 0.000 3.191 647 I HA 0.894 5.066 4.170 0.003 0.000 0.313 647 I C 0.664 176.811 176.117 0.051 0.000 1.193 647 I CA -0.397 60.846 61.300 -0.096 0.000 0.968 647 I CB 1.881 39.816 38.000 -0.108 0.000 1.262 647 I HN 1.336 nan 8.210 nan 0.000 0.456 648 G N 2.614 111.475 108.800 0.102 0.000 2.562 648 G HA2 -0.243 3.719 3.960 0.003 0.000 0.250 648 G HA3 -0.243 3.719 3.960 0.003 0.000 0.250 648 G C 0.149 175.120 174.900 0.118 0.000 1.269 648 G CA 0.547 45.712 45.100 0.109 0.000 0.919 648 G HN 0.862 nan 8.290 nan 0.000 0.574 649 D N 0.684 121.124 120.400 0.066 0.000 2.309 649 D HA 0.070 4.712 4.640 0.003 0.000 0.212 649 D C 2.559 178.867 176.300 0.013 0.000 0.968 649 D CA 1.578 55.591 54.000 0.021 0.000 0.882 649 D CB -0.446 40.348 40.800 -0.011 0.000 0.918 649 D HN 0.812 nan 8.370 nan 0.000 0.503 650 A N -0.090 122.759 122.820 0.048 0.000 2.119 650 A HA -0.106 4.216 4.320 0.003 0.000 0.217 650 A C 1.978 179.615 177.584 0.088 0.000 1.153 650 A CA 0.371 52.435 52.037 0.045 0.000 0.692 650 A CB -0.643 18.386 19.000 0.048 0.000 0.799 650 A HN 0.392 nan 8.150 nan 0.000 0.458 651 W N -0.454 120.774 121.300 -0.120 0.000 2.633 651 W HA 0.428 5.090 4.660 0.003 0.000 0.295 651 W C 0.082 176.544 176.519 -0.096 0.000 1.133 651 W CA 1.014 58.276 57.345 -0.139 0.000 1.490 651 W CB 0.298 29.691 29.460 -0.111 0.000 1.127 651 W HN 0.320 nan 8.180 nan 0.000 0.538 652 A N 1.355 124.168 122.820 -0.012 0.000 2.485 652 A HA 0.475 4.797 4.320 0.003 0.000 0.285 652 A C -2.798 174.755 177.584 -0.051 0.000 1.045 652 A CA -0.946 51.019 52.037 -0.120 0.000 0.792 652 A CB 0.701 19.610 19.000 -0.151 0.000 1.307 652 A HN -0.148 nan 8.150 nan 0.000 0.406 653 P HA 0.441 nan 4.420 nan 0.000 0.266 653 P C 0.660 177.913 177.300 -0.080 0.000 1.195 653 P CA 0.672 63.707 63.100 -0.108 0.000 0.768 653 P CB 1.260 32.832 31.700 -0.214 0.000 0.838 654 G N 0.648 109.426 108.800 -0.036 0.000 2.731 654 G HA2 0.549 4.511 3.960 0.003 0.000 0.309 654 G HA3 0.549 4.511 3.960 0.003 0.000 0.309 654 G C -0.656 174.276 174.900 0.054 0.000 1.273 654 G CA -0.419 44.673 45.100 -0.012 0.000 0.798 654 G HN 0.516 nan 8.290 nan 0.000 0.509 655 T N -1.119 113.482 114.554 0.079 0.000 2.726 655 T HA 0.325 4.677 4.350 0.003 0.000 0.294 655 T C 1.672 176.454 174.700 0.137 0.000 1.013 655 T CA -0.193 62.008 62.100 0.169 0.000 0.996 655 T CB 0.910 69.888 68.868 0.182 0.000 1.016 655 T HN 0.322 nan 8.240 nan 0.000 0.529 656 I N 0.938 121.595 120.570 0.145 0.000 2.194 656 I HA -0.206 3.966 4.170 0.003 0.000 0.246 656 I C 2.988 179.144 176.117 0.065 0.000 1.093 656 I CA 1.808 63.160 61.300 0.086 0.000 1.355 656 I CB -0.871 37.148 38.000 0.031 0.000 1.046 656 I HN 0.878 nan 8.210 nan 0.000 0.413 657 A N 0.725 123.574 122.820 0.048 0.000 1.883 657 A HA -0.213 4.109 4.320 0.003 0.000 0.217 657 A C 2.558 180.218 177.584 0.127 0.000 1.186 657 A CA 1.981 54.058 52.037 0.068 0.000 0.624 657 A CB -1.000 18.026 19.000 0.044 0.000 0.822 657 A HN 0.440 nan 8.150 nan 0.000 0.444 658 A N -0.438 122.436 122.820 0.091 0.000 2.024 658 A HA 0.113 4.435 4.320 0.003 0.000 0.220 658 A C 2.393 180.115 177.584 0.229 0.000 1.164 658 A CA 2.184 54.291 52.037 0.116 0.000 0.643 658 A CB -0.785 18.237 19.000 0.036 0.000 0.806 658 A HN 1.069 nan 8.150 nan 0.000 0.451 659 A N -0.926 121.997 122.820 0.170 0.000 1.930 659 A HA 0.168 4.490 4.320 0.003 0.000 0.215 659 A C 2.182 179.861 177.584 0.160 0.000 1.176 659 A CA 1.331 53.460 52.037 0.154 0.000 0.632 659 A CB -0.639 18.424 19.000 0.107 0.000 0.819 659 A HN 0.313 nan 8.150 nan 0.000 0.445 660 V N -1.939 118.073 119.914 0.163 0.000 2.270 660 V HA -0.257 3.865 4.120 0.003 0.000 0.245 660 V C 2.185 178.396 176.094 0.195 0.000 1.043 660 V CA 1.879 64.264 62.300 0.141 0.000 1.014 660 V CB -0.966 30.932 31.823 0.124 0.000 0.645 660 V HN 0.847 nan 8.190 nan 0.000 0.447 661 W N 0.660 122.011 121.300 0.085 0.000 2.321 661 W HA -0.275 4.386 4.660 0.002 0.000 0.306 661 W C 2.938 179.540 176.519 0.138 0.000 1.217 661 W CA 2.169 59.607 57.345 0.154 0.000 1.257 661 W CB -0.292 29.261 29.460 0.154 0.000 1.145 661 W HN 0.187 nan 8.180 nan 0.000 0.509 662 S N -0.337 115.605 115.700 0.403 0.000 2.382 662 S HA -0.105 4.367 4.470 0.003 0.000 0.228 662 S C 2.027 176.609 174.600 -0.029 0.000 1.027 662 S CA 1.711 60.048 58.200 0.227 0.000 0.991 662 S CB -1.063 62.287 63.200 0.251 0.000 0.823 662 S HN 0.395 nan 8.310 nan 0.000 0.469 663 G N 1.243 110.029 108.800 -0.024 0.000 2.418 663 G HA2 -0.223 3.739 3.960 0.003 0.000 0.217 663 G HA3 -0.223 3.739 3.960 0.003 0.000 0.217 663 G C 1.499 176.283 174.900 -0.193 0.000 1.158 663 G CA 1.044 46.089 45.100 -0.093 0.000 0.771 663 G HN 0.555 nan 8.290 nan 0.000 0.545 664 R N 0.284 120.631 120.500 -0.256 0.000 2.148 664 R HA 0.155 4.497 4.340 0.003 0.000 0.223 664 R C 2.362 178.274 176.300 -0.646 0.000 1.088 664 R CA 0.879 56.707 56.100 -0.453 0.000 0.985 664 R CB -0.469 29.528 30.300 -0.504 0.000 0.880 664 R HN 0.197 nan 8.270 nan 0.000 0.451 665 R N 0.223 120.387 120.500 -0.560 0.000 2.075 665 R HA 0.011 4.353 4.340 0.003 0.000 0.232 665 R C 1.838 177.985 176.300 -0.256 0.000 1.126 665 R CA 1.507 57.352 56.100 -0.425 0.000 0.963 665 R CB -0.476 29.512 30.300 -0.521 0.000 0.858 665 R HN 0.354 nan 8.270 nan 0.000 0.435 666 A N 0.377 123.062 122.820 -0.224 0.000 1.972 666 A HA -0.084 4.238 4.320 0.003 0.000 0.219 666 A C 2.243 179.746 177.584 -0.136 0.000 1.169 666 A CA 1.785 53.731 52.037 -0.151 0.000 0.635 666 A CB -0.416 18.490 19.000 -0.157 0.000 0.810 666 A HN 0.460 nan 8.150 nan 0.000 0.446 667 A N -0.776 121.911 122.820 -0.223 0.000 1.935 667 A HA 0.015 4.337 4.320 0.003 0.000 0.214 667 A C 1.859 179.338 177.584 -0.175 0.000 1.178 667 A CA 1.092 52.997 52.037 -0.220 0.000 0.640 667 A CB -0.271 18.577 19.000 -0.254 0.000 0.825 667 A HN 0.405 nan 8.150 nan 0.000 0.447 668 E N 0.253 120.272 120.200 -0.303 0.000 2.268 668 E HA -0.150 4.202 4.350 0.003 0.000 0.195 668 E C 1.354 177.912 176.600 -0.070 0.000 0.995 668 E CA 0.993 57.234 56.400 -0.265 0.000 0.836 668 E CB -0.101 29.289 29.700 -0.516 0.000 0.763 668 E HN 0.747 nan 8.360 nan 0.000 0.491 669 E N -0.462 119.713 120.200 -0.041 0.000 2.452 669 E HA 0.018 4.370 4.350 0.003 0.000 0.197 669 E C -0.067 176.535 176.600 0.004 0.000 1.022 669 E CA -0.440 55.961 56.400 0.002 0.000 0.890 669 E CB 0.159 29.857 29.700 -0.003 0.000 0.918 669 E HN 0.006 nan 8.360 nan 0.000 0.496 670 F N 2.233 122.094 119.950 -0.149 0.000 2.590 670 F HA -0.096 4.433 4.527 0.004 0.000 0.389 670 F C 0.553 176.278 175.800 -0.126 0.000 1.049 670 F CA 0.628 58.508 58.000 -0.199 0.000 1.199 670 F CB 0.273 39.072 39.000 -0.336 0.000 1.058 670 F HN -0.024 nan 8.300 nan 0.000 0.556 671 D N 1.863 121.926 120.400 -0.562 0.000 3.006 671 D HA -0.198 4.444 4.640 0.003 0.000 0.205 671 D C -0.109 176.110 176.300 -0.136 0.000 1.075 671 D CA 1.079 54.879 54.000 -0.332 0.000 1.000 671 D CB -1.296 39.453 40.800 -0.085 0.000 1.097 671 D HN 0.608 nan 8.370 nan 0.000 0.426 672 A N -0.042 122.715 122.820 -0.106 0.000 2.302 672 A HA 0.606 4.928 4.320 0.003 0.000 0.285 672 A C 0.623 178.172 177.584 -0.058 0.000 1.105 672 A CA -0.178 51.830 52.037 -0.048 0.000 0.816 672 A CB 0.934 19.925 19.000 -0.015 0.000 1.067 672 A HN 0.416 nan 8.150 nan 0.000 0.489 673 V N 0.852 120.745 119.914 -0.036 0.000 2.408 673 V HA 0.445 4.567 4.120 0.003 0.000 0.267 673 V C -0.101 175.980 176.094 -0.023 0.000 1.047 673 V CA -0.330 61.950 62.300 -0.034 0.000 0.937 673 V CB -0.433 31.374 31.823 -0.026 0.000 0.999 673 V HN 0.603 nan 8.190 nan 0.000 0.472 674 L N 5.930 127.138 121.223 -0.025 0.000 2.334 674 L HA 0.536 4.878 4.340 0.003 0.000 0.277 674 L C -1.728 175.135 176.870 -0.013 0.000 1.075 674 L CA -1.633 53.199 54.840 -0.014 0.000 0.804 674 L CB 0.928 42.980 42.059 -0.011 0.000 1.174 674 L HN 0.477 nan 8.230 nan 0.000 0.438 675 P HA 0.028 nan 4.420 nan 0.000 0.267 675 P C -0.198 177.096 177.300 -0.011 0.000 1.200 675 P CA -0.248 62.843 63.100 -0.016 0.000 0.772 675 P CB 0.602 32.287 31.700 -0.025 0.000 0.855 676 S N 1.606 117.300 115.700 -0.010 0.000 2.550 676 S HA -0.085 4.387 4.470 0.003 0.000 0.285 676 S C 1.375 175.973 174.600 -0.003 0.000 1.326 676 S CA 0.085 58.283 58.200 -0.004 0.000 1.037 676 S CB -0.075 63.122 63.200 -0.005 0.000 0.838 676 S HN 0.589 nan 8.310 nan 0.000 0.519 677 N N 2.325 121.030 118.700 0.009 0.000 2.571 677 N HA -0.047 4.695 4.740 0.003 0.000 0.189 677 N C 0.590 176.101 175.510 0.001 0.000 1.154 677 N CA 0.865 53.924 53.050 0.015 0.000 0.907 677 N CB -0.383 38.128 38.487 0.040 0.000 0.977 677 N HN 0.536 nan 8.380 nan 0.000 0.449 678 D N 0.542 120.939 120.400 -0.006 0.000 2.149 678 D HA -0.086 4.556 4.640 0.003 0.000 0.198 678 D C 0.174 176.453 176.300 -0.035 0.000 0.990 678 D CA 1.051 55.042 54.000 -0.015 0.000 0.839 678 D CB -0.002 40.790 40.800 -0.014 0.000 0.948 678 D HN 0.556 nan 8.370 nan 0.000 0.460 679 E N -0.242 119.931 120.200 -0.045 0.000 2.314 679 E HA 0.303 4.655 4.350 0.003 0.000 0.262 679 E C -0.329 176.199 176.600 -0.119 0.000 1.093 679 E CA -0.689 55.667 56.400 -0.074 0.000 0.908 679 E CB 1.741 31.401 29.700 -0.067 0.000 1.091 679 E HN -0.226 nan 8.360 nan 0.000 0.425 680 V N 3.174 122.974 119.914 -0.190 0.000 2.485 680 V HA 0.007 4.129 4.120 0.003 0.000 0.287 680 V C -1.632 174.236 176.094 -0.378 0.000 1.022 680 V CA -0.807 61.275 62.300 -0.363 0.000 1.067 680 V CB 0.393 31.938 31.823 -0.464 0.000 0.967 680 V HN 0.659 nan 8.190 nan 0.000 0.479 681 P HA 0.132 nan 4.420 nan 0.000 0.247 681 P C -0.469 176.826 177.300 -0.009 0.000 1.225 681 P CA 0.491 63.533 63.100 -0.097 0.000 0.768 681 P CB -0.204 31.555 31.700 0.099 0.000 1.020 682 F N -3.317 116.601 119.950 -0.053 0.000 2.662 682 F HA 0.573 5.102 4.527 0.004 0.000 0.312 682 F C -0.002 175.707 175.800 -0.151 0.000 1.113 682 F CA -2.030 55.901 58.000 -0.115 0.000 0.951 682 F CB 0.899 39.833 39.000 -0.109 0.000 1.344 682 F HN -0.492 nan 8.300 nan 0.000 0.462 683 R N 1.251 121.705 120.500 -0.076 0.000 2.694 683 R HA 0.568 4.910 4.340 0.003 0.000 0.268 683 R C -0.451 175.877 176.300 0.047 0.000 1.061 683 R CA -0.524 55.409 56.100 -0.279 0.000 1.133 683 R CB 0.777 30.485 30.300 -0.986 0.000 1.020 683 R HN 0.920 nan 8.270 nan 0.000 0.475 684 R N 0.675 121.306 120.500 0.219 0.000 2.604 684 R HA 0.193 4.535 4.340 0.003 0.000 0.261 684 R C -1.580 174.957 176.300 0.394 0.000 1.080 684 R CA -0.714 55.661 56.100 0.457 0.000 0.917 684 R CB 1.424 31.926 30.300 0.336 0.000 1.252 684 R HN 0.570 nan 8.270 nan 0.000 0.456 685 E N 2.321 122.719 120.200 0.330 0.000 2.216 685 E HA 0.389 4.741 4.350 0.003 0.000 0.279 685 E C 0.043 176.701 176.600 0.096 0.000 0.997 685 E CA -0.939 55.556 56.400 0.159 0.000 0.817 685 E CB 2.240 31.947 29.700 0.010 0.000 1.096 685 E HN 0.474 nan 8.360 nan 0.000 0.393 686 V N -0.385 119.570 119.914 0.069 0.000 3.204 686 V HA 0.528 4.651 4.120 0.003 0.000 0.316 686 V C 0.201 176.312 176.094 0.028 0.000 1.160 686 V CA -0.899 61.429 62.300 0.047 0.000 1.044 686 V CB 1.585 33.434 31.823 0.042 0.000 1.136 686 V HN 0.555 nan 8.190 nan 0.000 0.455 687 T N 1.764 116.331 114.554 0.023 0.000 2.919 687 T HA 0.269 4.621 4.350 0.003 0.000 0.302 687 T C -0.113 174.592 174.700 0.008 0.000 1.031 687 T CA 0.292 62.400 62.100 0.014 0.000 1.127 687 T CB 0.741 69.617 68.868 0.013 0.000 0.952 687 T HN 0.881 nan 8.240 nan 0.000 0.540 688 Q N 3.163 122.964 119.800 0.000 0.000 2.323 688 Q HA 0.273 4.615 4.340 0.003 0.000 0.257 688 Q C -0.693 175.305 176.000 -0.003 0.000 1.022 688 Q CA -0.068 55.734 55.803 -0.002 0.000 0.919 688 Q CB -0.272 28.462 28.738 -0.008 0.000 1.220 688 Q HN 0.555 nan 8.270 nan 0.000 0.427 689 L N 3.078 124.301 121.223 0.000 0.000 2.490 689 L HA 0.278 4.620 4.340 0.003 0.000 0.274 689 L C 0.500 177.368 176.870 -0.003 0.000 1.201 689 L CA -0.127 54.713 54.840 -0.001 0.000 0.869 689 L CB 0.326 42.385 42.059 0.001 0.000 1.123 689 L HN 0.754 nan 8.230 nan 0.000 0.484 690 A N 0.000 122.817 122.820 -0.005 0.000 2.254 690 A HA 0.000 4.322 4.320 0.003 0.000 0.244 690 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 690 A CB 0.000 18.995 19.000 -0.007 0.000 0.831 690 A HN 0.000 nan 8.150 nan 0.000 0.486