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 1r6v_1_A DATA FIRST_RESID 9 DATA SEQUENCE SKAKDLASLP EIKSQGYHIL FGELRDGEYT EGKILVGYND RSEVDKIVKA DATA SEQUENCE VNGKVVLELP QIKVVSIKLN GMTVKQAYDK IKALALKGIR YVEPSYKREL DATA SEQUENCE IKPTVVKPNP DMYKIRKPGL NSTARDYGEE LSNELWGLEA IGVTQQLWEE DATA SEQUENCE ASGTNIIVAV VDTGVDGTHP DLEGQVIAGY RPAFDEELPA GTDSSYGGSA DATA SEQUENCE GTHVAGTIAA KKDGKGIVGV APGAKIMPIV IFDDPALVGG NGYVGDDYVA DATA SEQUENCE AGIIWATDHG AKVMNHSWGG WGYSYTMKEA FDYAMEHGVV MVVSAGNNTS DATA SEQUENCE DSHHQYPAGY PGVIQVAALD YYGGTFRVAG FSSRSDGVSV GAPGVTILST DATA SEQUENCE VPGEDSIGYE GHNENVPATN GGTYDYYQGT SMAAPHVTGV VAVLLQKFPN DATA SEQUENCE AKPWQIRKLL ENTAFDFNGN GWDHDTGYGL VKLDAALQGP LPTQGGVEEF DATA SEQUENCE QVVVTDAKGN FGVPTVFVSM MRDNGSCYYA KTGPDGIARF PHIDSGTYDI DATA SEQUENCE FVGGPDHWDR ALAPYDGESI PGGYAIALRM AEERQASFVG FGVSPDATQL DATA SEQUENCE NVNFNSTLQV KFSTNLSTLK DPQFVVVDPL LRGVYGRVAY ARNQTYDLSL DATA SEQUENCE LSGQISFGIQ TLLPAATDIT IQGTVTLNGE DIPVYGVLKA GTTWTIIDDF DATA SEQUENCE GGLNLGTDSQ PIYVWWTIFG Q 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 9 S HA 0.000 nan 4.470 nan 0.000 0.327 9 S C 0.000 174.585 174.600 -0.024 0.000 1.055 9 S CA 0.000 58.182 58.200 -0.029 0.000 1.107 9 S CB 0.000 63.174 63.200 -0.043 0.000 0.593 10 K N -0.263 120.124 120.400 -0.020 0.000 2.270 10 K HA 1.116 5.541 4.320 0.175 0.000 0.248 10 K C 0.119 176.702 176.600 -0.028 0.000 1.076 10 K CA -0.271 56.011 56.287 -0.008 0.000 0.957 10 K CB 0.351 32.857 32.500 0.011 0.000 1.400 10 K HN 2.621 nan 8.250 nan 0.000 0.573 11 A N -0.820 121.992 122.820 -0.014 0.000 2.590 11 A HA 0.588 5.013 4.320 0.175 0.000 0.294 11 A C -0.330 177.244 177.584 -0.017 0.000 1.046 11 A CA 0.049 52.050 52.037 -0.059 0.000 0.684 11 A CB 0.975 19.893 19.000 -0.137 0.000 1.279 11 A HN 0.583 nan 8.150 nan 0.000 0.415 12 K N -0.342 120.032 120.400 -0.044 0.000 2.462 12 K HA 0.181 4.606 4.320 0.175 0.000 0.201 12 K C -0.632 175.971 176.600 0.005 0.000 1.268 12 K CA 0.355 56.683 56.287 0.068 0.000 0.933 12 K CB 0.683 33.230 32.500 0.079 0.000 1.162 12 K HN 0.694 nan 8.250 nan 0.000 0.527 13 D N 0.346 120.609 120.400 -0.229 0.000 2.498 13 D HA 0.189 4.934 4.640 0.175 0.000 0.247 13 D C 0.192 176.072 176.300 -0.701 0.000 1.070 13 D CA -0.385 53.366 54.000 -0.415 0.000 0.842 13 D CB 1.950 42.654 40.800 -0.161 0.000 1.361 13 D HN -0.117 nan 8.370 nan 0.000 0.484 14 L N 3.080 123.664 121.223 -1.065 0.000 2.162 14 L HA 0.137 4.582 4.340 0.175 0.000 0.205 14 L C 1.903 178.552 176.870 -0.368 0.000 1.086 14 L CA 0.999 55.384 54.840 -0.759 0.000 0.778 14 L CB -0.082 41.544 42.059 -0.721 0.000 0.928 14 L HN 0.597 nan 8.230 nan 0.000 0.446 15 A N -0.640 122.024 122.820 -0.260 0.000 2.067 15 A HA -0.154 4.271 4.320 0.175 0.000 0.219 15 A C 2.303 179.805 177.584 -0.136 0.000 1.158 15 A CA 1.485 53.435 52.037 -0.145 0.000 0.661 15 A CB -0.490 18.462 19.000 -0.079 0.000 0.801 15 A HN 0.589 nan 8.150 nan 0.000 0.452 16 S N -0.779 114.825 115.700 -0.160 0.000 2.558 16 S HA 0.281 4.857 4.470 0.175 0.000 0.217 16 S C 0.542 175.058 174.600 -0.139 0.000 0.975 16 S CA -0.373 57.751 58.200 -0.126 0.000 0.912 16 S CB -0.544 62.591 63.200 -0.109 0.000 0.776 16 S HN 0.364 nan 8.310 nan 0.000 0.526 17 L N 3.514 124.627 121.223 -0.183 0.000 2.453 17 L HA 0.309 4.755 4.340 0.175 0.000 0.272 17 L C -1.790 174.988 176.870 -0.153 0.000 1.182 17 L CA -1.655 53.077 54.840 -0.181 0.000 0.858 17 L CB 0.191 42.111 42.059 -0.231 0.000 1.120 17 L HN 0.173 nan 8.230 nan 0.000 0.474 18 P HA 0.169 nan 4.420 nan 0.000 0.278 18 P C -1.165 176.047 177.300 -0.146 0.000 1.266 18 P CA -0.690 62.338 63.100 -0.120 0.000 0.807 18 P CB 0.768 32.407 31.700 -0.100 0.000 1.094 19 E N 0.820 120.948 120.200 -0.119 0.000 2.259 19 E HA 0.356 4.811 4.350 0.175 0.000 0.281 19 E C 0.133 176.655 176.600 -0.130 0.000 1.027 19 E CA -0.494 55.830 56.400 -0.128 0.000 0.838 19 E CB 0.499 30.155 29.700 -0.072 0.000 1.066 19 E HN 0.347 nan 8.360 nan 0.000 0.401 20 I N -1.236 119.219 120.570 -0.192 0.000 3.042 20 I HA 0.485 4.761 4.170 0.175 0.000 0.310 20 I C -0.775 175.322 176.117 -0.034 0.000 1.117 20 I CA -1.364 59.850 61.300 -0.144 0.000 1.003 20 I CB 1.504 39.380 38.000 -0.207 0.000 1.228 20 I HN 0.358 nan 8.210 nan 0.000 0.443 21 K N 1.424 121.860 120.400 0.060 0.000 2.090 21 K HA 0.352 4.777 4.320 0.175 0.000 0.250 21 K C 0.310 177.080 176.600 0.282 0.000 1.004 21 K CA -0.569 55.822 56.287 0.173 0.000 0.919 21 K CB 0.731 33.303 32.500 0.120 0.000 1.045 21 K HN 0.676 nan 8.250 nan 0.000 0.471 22 S N 0.995 116.840 115.700 0.242 0.000 2.561 22 S HA -0.101 4.474 4.470 0.175 0.000 0.294 22 S C 0.482 175.055 174.600 -0.044 0.000 1.294 22 S CA 0.111 58.332 58.200 0.034 0.000 1.055 22 S CB 0.317 63.435 63.200 -0.136 0.000 0.819 22 S HN 0.446 nan 8.310 nan 0.000 0.503 23 Q N 2.768 122.450 119.800 -0.196 0.000 2.198 23 Q HA 0.254 4.699 4.340 0.175 0.000 0.209 23 Q C 1.253 176.943 176.000 -0.517 0.000 0.848 23 Q CA 0.599 56.268 55.803 -0.224 0.000 0.974 23 Q CB 0.098 28.765 28.738 -0.119 0.000 1.115 23 Q HN 1.059 nan 8.270 nan 0.000 0.494 24 G N 0.789 108.870 108.800 -1.198 0.000 2.553 24 G HA2 -0.302 3.763 3.960 0.175 0.000 0.242 24 G HA3 -0.302 3.763 3.960 0.175 0.000 0.242 24 G C -0.779 173.499 174.900 -1.038 0.000 1.277 24 G CA -0.415 43.803 45.100 -1.469 0.000 0.910 24 G HN 0.227 nan 8.290 nan 0.000 0.576 25 Y N -0.234 119.916 120.300 -0.250 0.000 2.568 25 Y HA 0.624 5.279 4.550 0.175 0.000 0.327 25 Y C 1.216 177.054 175.900 -0.104 0.000 1.163 25 Y CA -0.229 57.785 58.100 -0.143 0.000 1.219 25 Y CB 0.916 39.369 38.460 -0.011 0.000 1.308 25 Y HN 0.792 nan 8.280 nan 0.000 0.503 26 H N 1.697 120.717 119.070 -0.083 0.000 2.913 26 H HA 0.003 4.665 4.556 0.176 0.000 0.365 26 H C 0.087 175.354 175.328 -0.102 0.000 1.155 26 H CA -0.386 55.551 56.048 -0.185 0.000 1.417 26 H CB 0.645 30.268 29.762 -0.232 0.000 1.386 26 H HN 0.519 nan 8.280 nan 0.000 0.614 27 I N 4.083 124.329 120.570 -0.541 0.000 2.813 27 I HA -0.093 4.182 4.170 0.175 0.000 0.287 27 I C -0.271 175.476 176.117 -0.617 0.000 1.196 27 I CA 0.179 61.117 61.300 -0.603 0.000 1.421 27 I CB 0.167 37.693 38.000 -0.791 0.000 1.365 27 I HN 0.500 nan 8.210 nan 0.000 0.591 28 L N 8.350 129.311 121.223 -0.436 0.000 2.342 28 L HA 0.252 4.697 4.340 0.175 0.000 0.285 28 L C -1.017 175.662 176.870 -0.319 0.000 1.095 28 L CA -0.226 54.456 54.840 -0.263 0.000 0.843 28 L CB -0.021 41.895 42.059 -0.238 0.000 1.201 28 L HN 0.456 nan 8.230 nan 0.000 0.445 29 F N 2.646 122.592 119.950 -0.007 0.000 2.421 29 F HA 0.443 5.076 4.527 0.175 0.000 0.337 29 F C 1.186 177.080 175.800 0.157 0.000 1.105 29 F CA -0.616 57.352 58.000 -0.053 0.000 1.049 29 F CB 1.557 40.467 39.000 -0.149 0.000 1.139 29 F HN 0.460 nan 8.300 nan 0.000 0.479 30 G N 2.171 111.185 108.800 0.357 0.000 2.398 30 G HA2 0.107 4.172 3.960 0.175 0.000 0.246 30 G HA3 0.107 4.172 3.960 0.175 0.000 0.246 30 G C -0.517 174.400 174.900 0.029 0.000 1.289 30 G CA -0.504 44.758 45.100 0.270 0.000 0.869 30 G HN 0.727 nan 8.290 nan 0.000 0.543 31 E N 0.780 120.745 120.200 -0.392 0.000 2.415 31 E HA 0.070 4.525 4.350 0.175 0.000 0.263 31 E C -0.606 175.779 176.600 -0.357 0.000 0.995 31 E CA -0.522 55.191 56.400 -1.144 0.000 0.915 31 E CB 0.381 29.574 29.700 -0.846 0.000 0.951 31 E HN 0.108 nan 8.360 nan 0.000 0.449 32 L N 4.834 125.830 121.223 -0.379 0.000 2.272 32 L HA 0.378 4.823 4.340 0.175 0.000 0.289 32 L C -0.269 176.765 176.870 0.273 0.000 1.032 32 L CA -0.045 54.769 54.840 -0.044 0.000 0.810 32 L CB 1.202 43.216 42.059 -0.074 0.000 1.205 32 L HN 0.459 nan 8.230 nan 0.000 0.422 33 R N 2.340 123.102 120.500 0.436 0.000 2.476 33 R HA 0.378 4.823 4.340 0.175 0.000 0.305 33 R C -1.019 175.423 176.300 0.237 0.000 0.965 33 R CA -0.511 55.733 56.100 0.239 0.000 0.867 33 R CB 0.856 31.092 30.300 -0.107 0.000 1.176 33 R HN 0.504 nan 8.270 nan 0.000 0.447 34 D N 2.987 123.451 120.400 0.107 0.000 2.525 34 D HA 0.106 4.851 4.640 0.175 0.000 0.235 34 D C 1.007 177.261 176.300 -0.077 0.000 1.137 34 D CA 2.071 56.066 54.000 -0.008 0.000 0.868 34 D CB 0.808 41.603 40.800 -0.008 0.000 1.180 34 D HN 0.849 nan 8.370 nan 0.000 0.465 35 G N 2.619 111.323 108.800 -0.160 0.000 2.189 35 G HA2 -0.316 3.750 3.960 0.175 0.000 0.267 35 G HA3 -0.316 3.750 3.960 0.175 0.000 0.267 35 G C 0.833 175.707 174.900 -0.043 0.000 0.975 35 G CA 0.116 45.147 45.100 -0.116 0.000 0.644 35 G HN 0.519 nan 8.290 nan 0.000 0.537 36 E N -0.883 119.336 120.200 0.033 0.000 2.481 36 E HA 0.290 4.745 4.350 0.175 0.000 0.198 36 E C 0.382 177.275 176.600 0.489 0.000 1.027 36 E CA 0.396 56.963 56.400 0.278 0.000 0.900 36 E CB 0.191 30.093 29.700 0.336 0.000 0.993 36 E HN 0.862 nan 8.360 nan 0.000 0.482 37 Y N -3.247 117.166 120.300 0.187 0.000 2.597 37 Y HA 0.517 5.172 4.550 0.174 0.000 0.340 37 Y C -0.283 175.643 175.900 0.043 0.000 1.097 37 Y CA -1.342 56.816 58.100 0.097 0.000 1.037 37 Y CB 0.529 38.947 38.460 -0.071 0.000 1.305 37 Y HN -0.381 nan 8.280 nan 0.000 0.463 38 T N 2.573 117.236 114.554 0.181 0.000 2.851 38 T HA 0.197 4.652 4.350 0.175 0.000 0.298 38 T C -0.199 174.575 174.700 0.124 0.000 0.977 38 T CA -0.145 62.013 62.100 0.097 0.000 1.126 38 T CB 0.687 69.621 68.868 0.111 0.000 0.916 38 T HN 0.663 nan 8.240 nan 0.000 0.529 39 E N 1.400 121.617 120.200 0.029 0.000 2.349 39 E HA 0.471 4.926 4.350 0.175 0.000 0.262 39 E C 1.236 177.868 176.600 0.052 0.000 1.088 39 E CA 0.785 57.217 56.400 0.052 0.000 0.899 39 E CB 0.235 29.924 29.700 -0.018 0.000 1.044 39 E HN 0.783 nan 8.360 nan 0.000 0.420 40 G N 2.261 111.092 108.800 0.052 0.000 2.143 40 G HA2 -0.309 3.757 3.960 0.175 0.000 0.248 40 G HA3 -0.309 3.757 3.960 0.175 0.000 0.248 40 G C 0.022 174.944 174.900 0.036 0.000 0.991 40 G CA 0.807 45.928 45.100 0.035 0.000 0.689 40 G HN 0.568 nan 8.290 nan 0.000 0.522 41 K N -0.135 120.292 120.400 0.045 0.000 2.542 41 K HA 0.679 5.104 4.320 0.175 0.000 0.259 41 K C -0.505 176.122 176.600 0.045 0.000 0.932 41 K CA -1.136 55.175 56.287 0.040 0.000 0.820 41 K CB 1.668 34.191 32.500 0.037 0.000 1.345 41 K HN 0.640 nan 8.250 nan 0.000 0.432 42 I N 1.118 121.721 120.570 0.055 0.000 2.689 42 I HA 0.501 4.777 4.170 0.175 0.000 0.299 42 I C -1.158 175.003 176.117 0.074 0.000 1.059 42 I CA -1.237 60.115 61.300 0.087 0.000 1.055 42 I CB 1.867 39.955 38.000 0.147 0.000 1.243 42 I HN 0.357 nan 8.210 nan 0.000 0.425 43 L N 5.463 126.749 121.223 0.106 0.000 2.296 43 L HA 0.609 5.054 4.340 0.175 0.000 0.286 43 L C -0.690 176.248 176.870 0.114 0.000 1.023 43 L CA -1.038 53.867 54.840 0.110 0.000 0.812 43 L CB 1.844 44.001 42.059 0.164 0.000 1.223 43 L HN 0.420 nan 8.230 nan 0.000 0.421 44 V N 2.066 121.989 119.914 0.014 0.000 2.357 44 V HA 0.473 4.698 4.120 0.175 0.000 0.284 44 V C 0.611 176.538 176.094 -0.279 0.000 1.018 44 V CA -0.525 61.703 62.300 -0.121 0.000 0.841 44 V CB 1.560 33.351 31.823 -0.052 0.000 0.991 44 V HN 0.890 nan 8.190 nan 0.000 0.437 45 G N 4.560 112.809 108.800 -0.918 0.000 2.325 45 G HA2 0.576 4.641 3.960 0.175 0.000 0.298 45 G HA3 0.576 4.641 3.960 0.175 0.000 0.298 45 G C -0.910 173.639 174.900 -0.586 0.000 1.134 45 G CA -0.198 44.267 45.100 -1.059 0.000 0.876 45 G HN 0.770 nan 8.290 nan 0.000 0.452 46 Y N 0.585 120.683 120.300 -0.338 0.000 2.633 46 Y HA 0.612 5.267 4.550 0.175 0.000 0.339 46 Y C 0.377 176.189 175.900 -0.147 0.000 1.045 46 Y CA -1.583 56.381 58.100 -0.227 0.000 1.098 46 Y CB 1.414 39.772 38.460 -0.170 0.000 1.296 46 Y HN 0.266 nan 8.280 nan 0.000 0.494 47 N N -0.484 118.282 118.700 0.110 0.000 2.606 47 N HA 0.001 4.847 4.740 0.175 0.000 0.208 47 N C -0.997 174.650 175.510 0.228 0.000 1.046 47 N CA 0.601 53.690 53.050 0.064 0.000 0.891 47 N CB 0.252 38.745 38.487 0.009 0.000 1.344 47 N HN 0.777 nan 8.380 nan 0.000 0.437 48 D N 0.909 121.419 120.400 0.184 0.000 2.443 48 D HA 0.143 4.888 4.640 0.175 0.000 0.221 48 D C 1.087 177.356 176.300 -0.052 0.000 1.097 48 D CA -0.360 53.689 54.000 0.082 0.000 0.865 48 D CB 1.288 42.095 40.800 0.011 0.000 1.034 48 D HN -0.188 nan 8.370 nan 0.000 0.511 49 R N 2.495 122.869 120.500 -0.209 0.000 2.139 49 R HA -0.189 4.256 4.340 0.175 0.000 0.243 49 R C 1.754 177.825 176.300 -0.381 0.000 1.145 49 R CA 2.254 57.939 56.100 -0.692 0.000 0.976 49 R CB -0.596 29.379 30.300 -0.542 0.000 0.866 49 R HN 0.427 nan 8.270 nan 0.000 0.449 50 S N -0.266 115.314 115.700 -0.200 0.000 2.402 50 S HA -0.080 4.495 4.470 0.175 0.000 0.229 50 S C 1.564 176.088 174.600 -0.127 0.000 1.021 50 S CA 0.903 59.019 58.200 -0.139 0.000 0.974 50 S CB -0.234 62.915 63.200 -0.086 0.000 0.800 50 S HN 0.325 nan 8.310 nan 0.000 0.484 51 E N 1.167 121.294 120.200 -0.122 0.000 2.204 51 E HA -0.013 4.442 4.350 0.175 0.000 0.194 51 E C 2.189 178.723 176.600 -0.109 0.000 0.989 51 E CA 0.797 57.140 56.400 -0.094 0.000 0.824 51 E CB -0.473 29.184 29.700 -0.072 0.000 0.756 51 E HN 0.508 nan 8.360 nan 0.000 0.477 52 V N 2.043 121.856 119.914 -0.167 0.000 2.490 52 V HA -0.224 4.001 4.120 0.175 0.000 0.250 52 V C 1.643 177.670 176.094 -0.112 0.000 1.061 52 V CA 1.737 63.943 62.300 -0.157 0.000 1.064 52 V CB -0.430 31.238 31.823 -0.257 0.000 0.670 52 V HN 0.120 nan 8.190 nan 0.000 0.461 53 D N 0.125 120.457 120.400 -0.113 0.000 2.218 53 D HA -0.137 4.608 4.640 0.175 0.000 0.204 53 D C 2.166 178.435 176.300 -0.052 0.000 0.976 53 D CA 0.965 54.918 54.000 -0.078 0.000 0.853 53 D CB -0.129 40.626 40.800 -0.076 0.000 0.939 53 D HN 0.464 nan 8.370 nan 0.000 0.481 54 K N 0.143 120.512 120.400 -0.051 0.000 2.155 54 K HA 0.015 4.440 4.320 0.175 0.000 0.203 54 K C 2.202 178.791 176.600 -0.018 0.000 1.052 54 K CA 0.475 56.743 56.287 -0.032 0.000 0.948 54 K CB 0.192 32.672 32.500 -0.034 0.000 0.728 54 K HN 0.173 nan 8.250 nan 0.000 0.448 55 I N 0.443 120.999 120.570 -0.024 0.000 2.286 55 I HA -0.222 4.053 4.170 0.175 0.000 0.245 55 I C 2.135 178.255 176.117 0.005 0.000 1.104 55 I CA 0.756 62.055 61.300 -0.002 0.000 1.397 55 I CB -0.150 37.845 38.000 -0.008 0.000 1.072 55 I HN -0.097 nan 8.210 nan 0.000 0.417 56 V N 1.282 121.188 119.914 -0.013 0.000 2.287 56 V HA -0.306 3.919 4.120 0.175 0.000 0.248 56 V C 2.416 178.510 176.094 -0.001 0.000 1.053 56 V CA 1.936 64.231 62.300 -0.009 0.000 1.027 56 V CB -0.698 31.110 31.823 -0.025 0.000 0.646 56 V HN 0.404 nan 8.190 nan 0.000 0.447 57 K N 0.260 120.656 120.400 -0.005 0.000 2.057 57 K HA -0.069 4.356 4.320 0.175 0.000 0.206 57 K C 2.307 178.913 176.600 0.010 0.000 1.050 57 K CA 1.376 57.663 56.287 -0.000 0.000 0.935 57 K CB -0.427 32.069 32.500 -0.006 0.000 0.715 57 K HN 0.463 nan 8.250 nan 0.000 0.439 58 A N 1.287 124.117 122.820 0.016 0.000 1.933 58 A HA -0.119 4.307 4.320 0.175 0.000 0.218 58 A C 2.209 179.816 177.584 0.038 0.000 1.175 58 A CA 1.858 53.913 52.037 0.030 0.000 0.628 58 A CB -0.495 18.529 19.000 0.040 0.000 0.814 58 A HN 0.232 nan 8.150 nan 0.000 0.444 59 V N -4.012 115.925 119.914 0.038 0.000 3.621 59 V HA 0.229 4.455 4.120 0.175 0.000 0.285 59 V C 0.554 176.665 176.094 0.029 0.000 1.346 59 V CA 0.609 62.934 62.300 0.042 0.000 1.104 59 V CB -1.202 30.654 31.823 0.056 0.000 0.913 59 V HN 0.553 nan 8.190 nan 0.000 0.432 60 N N 1.221 119.933 118.700 0.021 0.000 2.705 60 N HA -0.120 4.725 4.740 0.175 0.000 0.255 60 N C 0.249 175.767 175.510 0.014 0.000 1.008 60 N CA 0.998 54.056 53.050 0.014 0.000 0.742 60 N CB -1.186 37.309 38.487 0.014 0.000 0.906 60 N HN 0.936 nan 8.380 nan 0.000 0.541 61 G N -0.021 108.787 108.800 0.013 0.000 2.642 61 G HA2 0.557 4.623 3.960 0.175 0.000 0.291 61 G HA3 0.557 4.623 3.960 0.175 0.000 0.291 61 G C -0.796 174.107 174.900 0.006 0.000 1.345 61 G CA -0.611 44.497 45.100 0.013 0.000 1.043 61 G HN 0.380 nan 8.290 nan 0.000 0.528 62 K N -0.378 120.025 120.400 0.006 0.000 2.471 62 K HA 0.485 4.910 4.320 0.175 0.000 0.252 62 K C -0.983 175.616 176.600 -0.002 0.000 0.938 62 K CA -0.610 55.678 56.287 0.001 0.000 0.796 62 K CB 2.212 34.715 32.500 0.005 0.000 1.161 62 K HN 0.220 nan 8.250 nan 0.000 0.425 63 V N 5.202 125.110 119.914 -0.009 0.000 2.521 63 V HA -0.000 4.225 4.120 0.175 0.000 0.286 63 V C 1.096 177.185 176.094 -0.008 0.000 1.034 63 V CA 0.068 62.358 62.300 -0.016 0.000 1.045 63 V CB 0.992 32.799 31.823 -0.026 0.000 0.974 63 V HN 0.742 nan 8.190 nan 0.000 0.480 64 V N 2.925 122.831 119.914 -0.012 0.000 3.635 64 V HA 0.508 4.733 4.120 0.175 0.000 0.266 64 V C 0.005 176.090 176.094 -0.015 0.000 1.316 64 V CA 0.137 62.440 62.300 0.006 0.000 1.060 64 V CB 0.633 32.478 31.823 0.036 0.000 0.820 64 V HN 0.527 nan 8.190 nan 0.000 0.447 65 L N 0.778 121.958 121.223 -0.071 0.000 2.526 65 L HA 0.683 5.129 4.340 0.175 0.000 0.263 65 L C -1.444 175.387 176.870 -0.066 0.000 0.943 65 L CA -0.237 54.537 54.840 -0.110 0.000 0.859 65 L CB 2.357 44.220 42.059 -0.327 0.000 1.313 65 L HN 0.168 nan 8.230 nan 0.000 0.406 66 E N 5.853 126.037 120.200 -0.026 0.000 2.199 66 E HA 0.482 4.937 4.350 0.175 0.000 0.265 66 E C -1.249 175.359 176.600 0.014 0.000 0.882 66 E CA -0.486 55.920 56.400 0.009 0.000 0.759 66 E CB 2.442 32.153 29.700 0.018 0.000 1.148 66 E HN 0.567 nan 8.360 nan 0.000 0.412 67 L N 4.931 126.167 121.223 0.023 0.000 2.495 67 L HA 0.231 4.677 4.340 0.175 0.000 0.248 67 L C -1.629 175.235 176.870 -0.010 0.000 1.229 67 L CA -1.506 53.325 54.840 -0.014 0.000 0.942 67 L CB 1.256 43.282 42.059 -0.055 0.000 1.242 67 L HN 0.243 nan 8.230 nan 0.000 0.484 68 P HA -0.221 nan 4.420 nan 0.000 0.219 68 P C 1.066 178.353 177.300 -0.023 0.000 1.146 68 P CA 1.121 64.251 63.100 0.051 0.000 0.808 68 P CB 0.253 32.001 31.700 0.080 0.000 0.779 69 Q N 0.745 120.503 119.800 -0.069 0.000 2.234 69 Q HA -0.126 4.320 4.340 0.175 0.000 0.206 69 Q C 1.996 177.911 176.000 -0.142 0.000 0.980 69 Q CA 1.400 57.142 55.803 -0.103 0.000 0.869 69 Q CB -1.033 27.519 28.738 -0.309 0.000 0.912 69 Q HN 0.485 nan 8.270 nan 0.000 0.436 70 I N -3.634 116.822 120.570 -0.190 0.000 3.817 70 I HA 0.351 4.626 4.170 0.175 0.000 0.325 70 I C -0.709 175.275 176.117 -0.222 0.000 1.550 70 I CA -0.950 60.261 61.300 -0.149 0.000 1.100 70 I CB 0.273 38.193 38.000 -0.134 0.000 1.216 70 I HN -0.187 nan 8.210 nan 0.000 0.481 71 K N 1.300 121.505 120.400 -0.326 0.000 3.451 71 K HA -0.105 4.320 4.320 0.175 0.000 0.273 71 K C -0.767 175.330 176.600 -0.838 0.000 0.944 71 K CA 0.295 56.066 56.287 -0.859 0.000 0.734 71 K CB -1.100 30.782 32.500 -1.029 0.000 1.437 71 K HN 0.381 nan 8.250 nan 0.000 0.454 72 V N 0.939 120.711 119.914 -0.237 0.000 2.789 72 V HA 0.532 4.757 4.120 0.175 0.000 0.311 72 V C -0.148 176.032 176.094 0.142 0.000 1.073 72 V CA -0.910 61.371 62.300 -0.031 0.000 0.921 72 V CB 2.386 34.199 31.823 -0.018 0.000 1.009 72 V HN 0.064 nan 8.190 nan 0.000 0.426 73 V N 3.136 123.130 119.914 0.135 0.000 2.638 73 V HA 0.578 4.804 4.120 0.175 0.000 0.306 73 V C -0.095 176.002 176.094 0.005 0.000 1.052 73 V CA -0.550 61.787 62.300 0.061 0.000 0.885 73 V CB 2.457 34.295 31.823 0.026 0.000 0.999 73 V HN 0.983 nan 8.190 nan 0.000 0.424 74 S N 5.468 121.144 115.700 -0.041 0.000 2.462 74 S HA 0.810 5.386 4.470 0.175 0.000 0.294 74 S C -0.766 173.815 174.600 -0.032 0.000 1.144 74 S CA -0.598 57.571 58.200 -0.052 0.000 1.088 74 S CB 1.149 64.264 63.200 -0.141 0.000 1.009 74 S HN 0.521 nan 8.310 nan 0.000 0.484 75 I N 2.325 122.892 120.570 -0.006 0.000 2.418 75 I HA 0.400 4.675 4.170 0.175 0.000 0.287 75 I C 0.084 176.210 176.117 0.015 0.000 1.008 75 I CA -0.693 60.609 61.300 0.004 0.000 1.104 75 I CB 1.872 39.880 38.000 0.013 0.000 1.264 75 I HN 0.623 nan 8.210 nan 0.000 0.438 76 K N 5.551 125.959 120.400 0.014 0.000 2.249 76 K HA 0.360 4.785 4.320 0.175 0.000 0.280 76 K C 0.659 177.272 176.600 0.021 0.000 1.033 76 K CA -0.371 55.928 56.287 0.019 0.000 0.946 76 K CB 1.041 33.551 32.500 0.018 0.000 1.005 76 K HN 0.652 nan 8.250 nan 0.000 0.469 77 L N 2.420 123.658 121.223 0.025 0.000 2.418 77 L HA -0.033 4.413 4.340 0.175 0.000 0.218 77 L C -0.185 176.698 176.870 0.021 0.000 1.125 77 L CA -0.092 54.764 54.840 0.027 0.000 0.835 77 L CB -0.414 41.664 42.059 0.030 0.000 0.953 77 L HN 0.777 nan 8.230 nan 0.000 0.454 78 N N 1.529 120.239 118.700 0.017 0.000 2.556 78 N HA -0.177 4.668 4.740 0.175 0.000 0.288 78 N C 0.818 176.337 175.510 0.014 0.000 1.226 78 N CA 1.124 54.182 53.050 0.014 0.000 0.719 78 N CB -1.433 37.061 38.487 0.013 0.000 0.923 78 N HN 0.537 nan 8.380 nan 0.000 0.544 79 G N -0.138 108.670 108.800 0.013 0.000 2.298 79 G HA2 -0.257 3.808 3.960 0.175 0.000 0.287 79 G HA3 -0.257 3.808 3.960 0.175 0.000 0.287 79 G C -0.126 174.783 174.900 0.015 0.000 1.075 79 G CA 0.578 45.686 45.100 0.013 0.000 0.960 79 G HN 0.731 nan 8.290 nan 0.000 0.502 80 M N 0.143 119.753 119.600 0.017 0.000 2.471 80 M HA 0.513 5.098 4.480 0.175 0.000 0.284 80 M C 0.345 176.654 176.300 0.016 0.000 1.203 80 M CA -0.151 55.160 55.300 0.018 0.000 0.915 80 M CB 1.742 34.357 32.600 0.024 0.000 1.734 80 M HN 0.591 nan 8.290 nan 0.000 0.485 81 T N -0.345 114.215 114.554 0.010 0.000 2.881 81 T HA 0.442 4.897 4.350 0.175 0.000 0.278 81 T C 0.924 175.609 174.700 -0.026 0.000 0.982 81 T CA -0.864 61.239 62.100 0.005 0.000 0.989 81 T CB 1.218 70.089 68.868 0.006 0.000 1.058 81 T HN 0.460 nan 8.240 nan 0.000 0.529 82 V N 1.208 121.096 119.914 -0.044 0.000 2.332 82 V HA -0.136 4.090 4.120 0.175 0.000 0.248 82 V C 2.874 178.718 176.094 -0.417 0.000 1.055 82 V CA 2.169 64.349 62.300 -0.201 0.000 1.038 82 V CB -0.926 30.727 31.823 -0.284 0.000 0.651 82 V HN 1.004 nan 8.190 nan 0.000 0.450 83 K N -0.286 119.900 120.400 -0.357 0.000 2.063 83 K HA -0.253 4.173 4.320 0.175 0.000 0.208 83 K C 2.273 178.773 176.600 -0.167 0.000 1.048 83 K CA 1.832 57.882 56.287 -0.394 0.000 0.928 83 K CB -0.130 32.270 32.500 -0.166 0.000 0.713 83 K HN 0.553 nan 8.250 nan 0.000 0.442 84 Q N -0.486 119.279 119.800 -0.058 0.000 2.119 84 Q HA -0.114 4.331 4.340 0.175 0.000 0.201 84 Q C 2.070 178.100 176.000 0.050 0.000 0.972 84 Q CA 1.287 57.100 55.803 0.018 0.000 0.847 84 Q CB -0.079 28.672 28.738 0.022 0.000 0.903 84 Q HN 0.392 nan 8.270 nan 0.000 0.433 85 A N 0.238 123.084 122.820 0.042 0.000 1.898 85 A HA -0.190 4.235 4.320 0.175 0.000 0.216 85 A C 1.661 179.383 177.584 0.231 0.000 1.181 85 A CA 1.105 53.216 52.037 0.123 0.000 0.620 85 A CB -0.683 18.395 19.000 0.130 0.000 0.819 85 A HN 0.321 nan 8.150 nan 0.000 0.442 86 Y N 0.949 121.191 120.300 -0.097 0.000 2.165 86 Y HA -0.183 4.472 4.550 0.175 0.000 0.286 86 Y C 2.204 178.084 175.900 -0.033 0.000 1.155 86 Y CA 1.051 58.998 58.100 -0.255 0.000 1.164 86 Y CB -0.753 37.217 38.460 -0.817 0.000 0.978 86 Y HN 0.361 nan 8.280 nan 0.000 0.513 87 D N -0.255 120.278 120.400 0.222 0.000 2.178 87 D HA -0.139 4.606 4.640 0.175 0.000 0.201 87 D C 1.950 178.350 176.300 0.167 0.000 0.980 87 D CA 1.048 55.182 54.000 0.223 0.000 0.842 87 D CB -0.011 40.892 40.800 0.171 0.000 0.948 87 D HN 0.245 nan 8.370 nan 0.000 0.472 88 K N 0.173 120.662 120.400 0.148 0.000 2.366 88 K HA 0.076 4.501 4.320 0.175 0.000 0.198 88 K C 2.076 178.760 176.600 0.141 0.000 1.044 88 K CA 0.209 56.569 56.287 0.121 0.000 0.973 88 K CB 0.400 32.959 32.500 0.098 0.000 0.767 88 K HN 0.300 nan 8.250 nan 0.000 0.475 89 I N 1.005 121.699 120.570 0.208 0.000 2.927 89 I HA -0.135 4.140 4.170 0.175 0.000 0.268 89 I C 2.201 178.496 176.117 0.296 0.000 1.153 89 I CA 0.284 61.725 61.300 0.236 0.000 1.459 89 I CB -0.090 38.099 38.000 0.316 0.000 1.149 89 I HN 0.048 nan 8.210 nan 0.000 0.443 90 K N 2.274 122.930 120.400 0.426 0.000 2.218 90 K HA -0.121 4.304 4.320 0.175 0.000 0.205 90 K C 1.451 178.251 176.600 0.333 0.000 1.046 90 K CA 1.797 58.392 56.287 0.512 0.000 0.933 90 K CB -0.202 32.599 32.500 0.501 0.000 0.728 90 K HN 0.286 nan 8.250 nan 0.000 0.454 91 A N 0.872 123.806 122.820 0.190 0.000 2.535 91 A HA 0.315 4.740 4.320 0.175 0.000 0.273 91 A C 1.516 179.138 177.584 0.062 0.000 1.267 91 A CA -0.502 51.596 52.037 0.102 0.000 0.940 91 A CB 0.008 19.046 19.000 0.064 0.000 1.101 91 A HN 0.221 nan 8.150 nan 0.000 0.521 92 L N -1.355 119.908 121.223 0.067 0.000 2.395 92 L HA 0.125 4.570 4.340 0.175 0.000 0.218 92 L C 1.644 178.515 176.870 0.002 0.000 1.130 92 L CA 0.715 55.573 54.840 0.030 0.000 0.826 92 L CB -0.279 41.796 42.059 0.028 0.000 0.941 92 L HN 0.581 nan 8.230 nan 0.000 0.451 93 A N 0.545 123.363 122.820 -0.004 0.000 2.800 93 A HA -0.185 4.241 4.320 0.175 0.000 0.292 93 A C 0.268 177.827 177.584 -0.041 0.000 1.474 93 A CA 0.261 52.281 52.037 -0.029 0.000 0.744 93 A CB -2.448 16.534 19.000 -0.030 0.000 1.044 93 A HN 0.308 nan 8.150 nan 0.000 0.489 94 L N -0.285 120.905 121.223 -0.054 0.000 2.439 94 L HA 0.365 4.811 4.340 0.175 0.000 0.269 94 L C 1.796 178.627 176.870 -0.066 0.000 1.179 94 L CA 0.115 54.917 54.840 -0.063 0.000 0.828 94 L CB 0.464 42.473 42.059 -0.084 0.000 1.106 94 L HN 0.601 nan 8.230 nan 0.000 0.467 95 K N 1.202 121.572 120.400 -0.051 0.000 2.424 95 K HA 0.098 4.523 4.320 0.175 0.000 0.198 95 K C 0.958 177.537 176.600 -0.034 0.000 1.190 95 K CA 0.800 57.065 56.287 -0.038 0.000 0.935 95 K CB 0.248 32.736 32.500 -0.020 0.000 1.087 95 K HN 0.660 nan 8.250 nan 0.000 0.524 96 G N 2.588 111.366 108.800 -0.036 0.000 3.702 96 G HA2 0.313 4.378 3.960 0.175 0.000 0.288 96 G HA3 0.313 4.378 3.960 0.175 0.000 0.288 96 G C -0.325 174.559 174.900 -0.028 0.000 1.193 96 G CA -0.354 44.733 45.100 -0.022 0.000 0.952 96 G HN 0.073 nan 8.290 nan 0.000 0.544 97 I N 0.128 120.655 120.570 -0.072 0.000 2.404 97 I HA 0.411 4.686 4.170 0.175 0.000 0.293 97 I C 0.909 176.928 176.117 -0.164 0.000 0.992 97 I CA -0.723 60.506 61.300 -0.118 0.000 1.149 97 I CB 1.914 39.817 38.000 -0.162 0.000 1.315 97 I HN 0.118 nan 8.210 nan 0.000 0.446 98 R N 4.360 124.725 120.500 -0.225 0.000 2.075 98 R HA 0.068 4.513 4.340 0.175 0.000 0.220 98 R C -0.680 175.502 176.300 -0.197 0.000 1.118 98 R CA 1.075 57.056 56.100 -0.198 0.000 0.986 98 R CB 0.367 30.562 30.300 -0.175 0.000 0.884 98 R HN 0.687 nan 8.270 nan 0.000 0.439 99 Y N -4.228 115.928 120.300 -0.239 0.000 2.741 99 Y HA 0.543 5.197 4.550 0.173 0.000 0.339 99 Y C -1.528 174.235 175.900 -0.229 0.000 1.226 99 Y CA -1.677 56.235 58.100 -0.314 0.000 1.072 99 Y CB 1.095 39.320 38.460 -0.392 0.000 1.331 99 Y HN -0.352 nan 8.280 nan 0.000 0.453 100 V N 2.149 122.060 119.914 -0.005 0.000 2.569 100 V HA 0.609 4.834 4.120 0.175 0.000 0.301 100 V C -0.896 175.359 176.094 0.269 0.000 1.044 100 V CA -0.542 61.799 62.300 0.068 0.000 0.874 100 V CB 1.408 33.188 31.823 -0.071 0.000 1.002 100 V HN 0.905 nan 8.190 nan 0.000 0.424 101 E N 6.045 126.452 120.200 0.344 0.000 2.433 101 E HA 0.695 5.150 4.350 0.175 0.000 0.278 101 E C -3.147 173.530 176.600 0.129 0.000 0.976 101 E CA -2.099 54.478 56.400 0.296 0.000 0.793 101 E CB 3.244 33.120 29.700 0.293 0.000 1.311 101 E HN 0.394 nan 8.360 nan 0.000 0.460 102 P HA 0.069 nan 4.420 nan 0.000 0.284 102 P C -0.539 176.585 177.300 -0.293 0.000 1.292 102 P CA -0.573 62.375 63.100 -0.254 0.000 0.800 102 P CB 1.282 32.668 31.700 -0.523 0.000 1.188 103 S N -0.240 115.388 115.700 -0.121 0.000 2.475 103 S HA 0.366 4.941 4.470 0.175 0.000 0.281 103 S C -0.696 173.915 174.600 0.019 0.000 1.198 103 S CA -0.410 57.804 58.200 0.022 0.000 1.063 103 S CB -0.689 62.569 63.200 0.098 0.000 0.972 103 S HN 0.188 nan 8.310 nan 0.000 0.486 104 Y N 2.774 123.245 120.300 0.285 0.000 2.326 104 Y HA 0.391 5.045 4.550 0.174 0.000 0.324 104 Y C 1.085 177.168 175.900 0.304 0.000 1.291 104 Y CA -0.694 57.593 58.100 0.312 0.000 1.348 104 Y CB 0.653 39.270 38.460 0.262 0.000 1.294 104 Y HN 0.403 nan 8.280 nan 0.000 0.525 105 K N 2.992 123.659 120.400 0.444 0.000 2.350 105 K HA 0.262 4.687 4.320 0.175 0.000 0.279 105 K C -0.323 176.380 176.600 0.171 0.000 1.027 105 K CA -0.115 56.339 56.287 0.278 0.000 0.969 105 K CB 0.550 33.188 32.500 0.229 0.000 0.954 105 K HN 0.605 nan 8.250 nan 0.000 0.474 106 R N 1.975 122.437 120.500 -0.064 0.000 2.771 106 R HA 0.440 4.885 4.340 0.175 0.000 0.274 106 R C -0.352 175.980 176.300 0.054 0.000 0.987 106 R CA -0.731 55.295 56.100 -0.122 0.000 0.908 106 R CB 1.882 31.841 30.300 -0.567 0.000 1.213 106 R HN 0.635 nan 8.270 nan 0.000 0.468 107 E N 0.878 121.204 120.200 0.209 0.000 2.367 107 E HA 0.324 4.779 4.350 0.175 0.000 0.273 107 E C -0.934 175.719 176.600 0.088 0.000 0.903 107 E CA -1.192 55.325 56.400 0.194 0.000 0.764 107 E CB 2.652 32.403 29.700 0.085 0.000 1.252 107 E HN 0.131 nan 8.360 nan 0.000 0.446 108 L N 2.249 123.248 121.223 -0.374 0.000 2.380 108 L HA 0.238 4.683 4.340 0.175 0.000 0.273 108 L C -0.420 176.351 176.870 -0.164 0.000 1.138 108 L CA 0.283 54.836 54.840 -0.478 0.000 0.832 108 L CB 0.455 41.980 42.059 -0.890 0.000 1.124 108 L HN 0.522 nan 8.230 nan 0.000 0.454 109 I N 6.112 126.650 120.570 -0.053 0.000 2.270 109 I HA 0.078 4.354 4.170 0.175 0.000 0.300 109 I C 0.186 176.245 176.117 -0.096 0.000 1.186 109 I CA -0.381 60.891 61.300 -0.046 0.000 1.431 109 I CB -0.581 37.422 38.000 0.006 0.000 1.485 109 I HN 0.426 nan 8.210 nan 0.000 0.650 110 K N 6.868 127.180 120.400 -0.146 0.000 2.472 110 K HA 0.147 4.572 4.320 0.175 0.000 0.280 110 K C -2.009 174.446 176.600 -0.242 0.000 1.028 110 K CA -1.065 55.108 56.287 -0.190 0.000 1.045 110 K CB 0.215 32.601 32.500 -0.190 0.000 0.902 110 K HN 0.292 nan 8.250 nan 0.000 0.478 111 P HA 0.108 nan 4.420 nan 0.000 0.276 111 P C -0.448 176.553 177.300 -0.498 0.000 1.244 111 P CA -0.338 62.535 63.100 -0.378 0.000 0.801 111 P CB 0.747 32.219 31.700 -0.381 0.000 1.006 112 T N -1.970 112.330 114.554 -0.423 0.000 2.912 112 T HA 0.448 4.903 4.350 0.175 0.000 0.288 112 T C 0.061 174.605 174.700 -0.259 0.000 1.030 112 T CA -0.809 61.086 62.100 -0.343 0.000 1.020 112 T CB 0.886 69.615 68.868 -0.232 0.000 1.056 112 T HN 0.122 nan 8.240 nan 0.000 0.480 113 V N 2.424 122.241 119.914 -0.162 0.000 2.686 113 V HA 0.565 4.790 4.120 0.175 0.000 0.295 113 V C 0.597 176.747 176.094 0.094 0.000 1.055 113 V CA -0.267 62.071 62.300 0.063 0.000 1.050 113 V CB 0.903 32.784 31.823 0.098 0.000 0.984 113 V HN 0.992 nan 8.190 nan 0.000 0.482 114 V N 1.882 121.907 119.914 0.185 0.000 3.160 114 V HA 0.734 4.960 4.120 0.175 0.000 0.310 114 V C -0.610 175.544 176.094 0.100 0.000 1.181 114 V CA -1.270 61.105 62.300 0.125 0.000 1.047 114 V CB 2.281 34.185 31.823 0.135 0.000 1.068 114 V HN 0.627 nan 8.190 nan 0.000 0.441 115 K N 1.944 122.345 120.400 0.001 0.000 2.098 115 K HA 0.539 4.964 4.320 0.175 0.000 0.257 115 K C -2.522 173.892 176.600 -0.310 0.000 0.999 115 K CA -1.923 54.298 56.287 -0.110 0.000 0.924 115 K CB 0.854 33.309 32.500 -0.075 0.000 1.028 115 K HN 0.672 nan 8.250 nan 0.000 0.466 116 P HA 0.039 nan 4.420 nan 0.000 0.270 116 P C -0.552 176.579 177.300 -0.283 0.000 1.223 116 P CA -0.142 62.484 63.100 -0.790 0.000 0.785 116 P CB 0.411 31.651 31.700 -0.767 0.000 0.923 117 N N 2.077 120.682 118.700 -0.159 0.000 2.609 117 N HA 0.178 5.023 4.740 0.175 0.000 0.268 117 N C -1.734 173.764 175.510 -0.021 0.000 1.106 117 N CA -2.275 50.735 53.050 -0.067 0.000 0.823 117 N CB 0.814 39.270 38.487 -0.051 0.000 1.263 117 N HN 0.117 nan 8.380 nan 0.000 0.533 118 P HA -0.065 nan 4.420 nan 0.000 0.223 118 P C 0.135 177.438 177.300 0.005 0.000 1.144 118 P CA 0.976 64.084 63.100 0.013 0.000 0.783 118 P CB 0.561 32.265 31.700 0.006 0.000 0.771 119 D N -1.743 118.650 120.400 -0.011 0.000 2.349 119 D HA 0.072 4.817 4.640 0.175 0.000 0.214 119 D C 0.631 176.908 176.300 -0.038 0.000 1.063 119 D CA -0.275 53.711 54.000 -0.022 0.000 0.847 119 D CB -0.442 40.345 40.800 -0.023 0.000 0.933 119 D HN -0.099 nan 8.370 nan 0.000 0.513 120 M N 0.824 120.385 119.600 -0.065 0.000 2.327 120 M HA 0.040 4.625 4.480 0.175 0.000 0.353 120 M C -0.648 175.572 176.300 -0.133 0.000 1.539 120 M CA 0.166 55.349 55.300 -0.194 0.000 1.039 120 M CB -0.499 31.884 32.600 -0.361 0.000 1.967 120 M HN 0.215 nan 8.290 nan 0.000 0.459 121 Y N 3.774 123.855 120.300 -0.366 0.000 3.078 121 Y HA -0.311 4.345 4.550 0.176 0.000 0.202 121 Y C -0.882 174.865 175.900 -0.255 0.000 1.322 121 Y CA 0.687 58.474 58.100 -0.522 0.000 1.118 121 Y CB -0.959 37.258 38.460 -0.405 0.000 1.343 121 Y HN 0.708 nan 8.280 nan 0.000 0.499 122 K N 0.986 121.273 120.400 -0.190 0.000 2.246 122 K HA 0.864 5.289 4.320 0.175 0.000 0.239 122 K C 0.873 177.387 176.600 -0.144 0.000 1.089 122 K CA -0.338 55.841 56.287 -0.180 0.000 0.892 122 K CB 0.300 32.748 32.500 -0.086 0.000 1.334 122 K HN 1.005 nan 8.250 nan 0.000 0.507 123 I N -0.465 120.036 120.570 -0.116 0.000 6.340 123 I HA -0.045 4.230 4.170 0.175 0.000 0.126 123 I C 0.723 176.791 176.117 -0.081 0.000 1.427 123 I CA 2.036 63.284 61.300 -0.086 0.000 2.506 123 I CB -2.796 35.164 38.000 -0.068 0.000 2.696 123 I HN 0.999 nan 8.210 nan 0.000 0.291 124 R N 0.875 121.323 120.500 -0.088 0.000 3.416 124 R HA 0.181 4.627 4.340 0.175 0.000 0.263 124 R C 1.836 178.092 176.300 -0.073 0.000 1.053 124 R CA 3.261 59.322 56.100 -0.065 0.000 0.705 124 R CB -3.007 27.277 30.300 -0.027 0.000 1.124 124 R HN 2.924 nan 8.270 nan 0.000 0.444 125 K N -0.911 119.359 120.400 -0.217 0.000 2.107 125 K HA 0.746 5.171 4.320 0.175 0.000 0.211 125 K C 0.167 176.565 176.600 -0.337 0.000 1.024 125 K CA 1.459 57.495 56.287 -0.418 0.000 0.953 125 K CB -0.339 31.487 32.500 -1.124 0.000 0.831 125 K HN 1.898 nan 8.250 nan 0.000 0.454 126 P HA 0.527 nan 4.420 nan 0.000 0.276 126 P C -0.136 177.074 177.300 -0.150 0.000 1.210 126 P CA 0.431 63.424 63.100 -0.180 0.000 1.160 126 P CB 0.059 31.748 31.700 -0.019 0.000 2.485 127 G N -0.353 108.372 108.800 -0.126 0.000 2.502 127 G HA2 0.224 4.289 3.960 0.175 0.000 0.273 127 G HA3 0.224 4.289 3.960 0.175 0.000 0.273 127 G C 0.393 175.225 174.900 -0.114 0.000 1.021 127 G CA 0.126 45.170 45.100 -0.094 0.000 1.333 127 G HN 1.635 nan 8.290 nan 0.000 0.508 128 L N -1.543 119.605 121.223 -0.125 0.000 3.108 128 L HA 0.872 5.317 4.340 0.175 0.000 0.251 128 L C 0.775 177.597 176.870 -0.080 0.000 1.315 128 L CA 1.168 55.938 54.840 -0.118 0.000 1.048 128 L CB -0.903 41.065 42.059 -0.152 0.000 1.432 128 L HN 1.899 nan 8.230 nan 0.000 0.543 129 N N -1.934 116.724 118.700 -0.069 0.000 2.277 129 N HA 0.851 5.696 4.740 0.175 0.000 0.286 129 N C 0.559 176.038 175.510 -0.052 0.000 1.140 129 N CA 0.140 53.157 53.050 -0.054 0.000 0.799 129 N CB 1.222 39.680 38.487 -0.047 0.000 1.596 129 N HN 2.132 nan 8.380 nan 0.000 0.473 130 S N -0.385 115.288 115.700 -0.045 0.000 3.368 130 S HA 0.445 5.021 4.470 0.175 0.000 0.470 130 S C 1.349 175.916 174.600 -0.056 0.000 0.774 130 S CA 1.477 59.651 58.200 -0.043 0.000 1.368 130 S CB -2.208 60.969 63.200 -0.037 0.000 0.978 130 S HN 2.950 nan 8.310 nan 0.000 0.717 131 T N -1.023 113.494 114.554 -0.062 0.000 3.626 131 T HA 0.231 4.686 4.350 0.175 0.000 0.393 131 T C 1.746 176.376 174.700 -0.116 0.000 0.765 131 T CA 1.827 63.875 62.100 -0.088 0.000 2.006 131 T CB -2.023 66.797 68.868 -0.080 0.000 1.739 131 T HN 2.516 nan 8.240 nan 0.000 0.720 132 A N 1.189 123.945 122.820 -0.106 0.000 1.845 132 A HA 0.141 4.566 4.320 0.175 0.000 0.215 132 A C 1.842 179.320 177.584 -0.177 0.000 1.195 132 A CA 1.653 53.626 52.037 -0.107 0.000 0.616 132 A CB 0.077 19.030 19.000 -0.078 0.000 0.832 132 A HN 0.797 nan 8.150 nan 0.000 0.443 133 R N 0.448 120.813 120.500 -0.226 0.000 3.436 133 R HA 0.213 4.658 4.340 0.175 0.000 0.247 133 R C -1.375 174.473 176.300 -0.753 0.000 1.434 133 R CA -0.181 55.607 56.100 -0.520 0.000 1.543 133 R CB 0.041 30.262 30.300 -0.131 0.000 1.289 133 R HN 0.324 nan 8.270 nan 0.000 0.664 134 D N 0.656 120.629 120.400 -0.711 0.000 2.499 134 D HA 0.055 4.801 4.640 0.175 0.000 0.225 134 D C -0.074 175.961 176.300 -0.441 0.000 1.124 134 D CA -0.291 53.448 54.000 -0.436 0.000 0.938 134 D CB 0.278 40.950 40.800 -0.214 0.000 1.014 134 D HN 0.374 nan 8.370 nan 0.000 0.517 135 Y N 0.950 121.292 120.300 0.070 0.000 2.458 135 Y HA 0.283 4.939 4.550 0.178 0.000 0.256 135 Y C 2.105 178.124 175.900 0.199 0.000 1.159 135 Y CA -0.152 58.042 58.100 0.157 0.000 1.261 135 Y CB 1.056 39.650 38.460 0.223 0.000 1.119 135 Y HN 0.514 nan 8.280 nan 0.000 0.524 136 G N -0.185 108.722 108.800 0.178 0.000 2.213 136 G HA2 -0.213 3.852 3.960 0.175 0.000 0.236 136 G HA3 -0.213 3.852 3.960 0.175 0.000 0.236 136 G C -0.050 174.919 174.900 0.115 0.000 0.991 136 G CA -0.217 44.965 45.100 0.137 0.000 0.629 136 G HN 0.208 nan 8.290 nan 0.000 0.517 137 E N 0.745 121.032 120.200 0.144 0.000 2.242 137 E HA 0.354 4.809 4.350 0.175 0.000 0.275 137 E C 1.394 178.035 176.600 0.068 0.000 1.002 137 E CA -0.039 56.420 56.400 0.099 0.000 0.841 137 E CB 1.009 30.775 29.700 0.111 0.000 1.109 137 E HN 0.661 nan 8.360 nan 0.000 0.394 138 E N 1.543 121.763 120.200 0.035 0.000 2.209 138 E HA -0.178 4.278 4.350 0.175 0.000 0.196 138 E C 1.003 177.610 176.600 0.013 0.000 0.993 138 E CA 1.065 57.475 56.400 0.018 0.000 0.819 138 E CB -0.120 29.582 29.700 0.004 0.000 0.745 138 E HN 0.382 nan 8.360 nan 0.000 0.477 139 L N 1.307 122.530 121.223 -0.000 0.000 2.653 139 L HA 0.183 4.629 4.340 0.175 0.000 0.231 139 L C 1.756 178.675 176.870 0.082 0.000 1.153 139 L CA -0.242 54.598 54.840 -0.001 0.000 0.933 139 L CB 0.201 42.190 42.059 -0.117 0.000 1.175 139 L HN 0.037 nan 8.230 nan 0.000 0.473 140 S N 1.409 117.188 115.700 0.131 0.000 2.392 140 S HA -0.204 4.371 4.470 0.175 0.000 0.232 140 S C 1.889 176.618 174.600 0.216 0.000 1.041 140 S CA 1.951 60.302 58.200 0.251 0.000 1.026 140 S CB -0.414 62.889 63.200 0.171 0.000 0.845 140 S HN 0.709 nan 8.310 nan 0.000 0.465 141 N N 1.455 120.228 118.700 0.122 0.000 2.348 141 N HA -0.186 4.659 4.740 0.175 0.000 0.185 141 N C 1.038 176.660 175.510 0.186 0.000 1.019 141 N CA 1.079 54.199 53.050 0.117 0.000 0.880 141 N CB -0.333 38.199 38.487 0.074 0.000 0.965 141 N HN 0.528 nan 8.380 nan 0.000 0.437 142 E N 0.089 120.414 120.200 0.208 0.000 2.474 142 E HA 0.170 4.625 4.350 0.175 0.000 0.194 142 E C 0.199 177.001 176.600 0.336 0.000 1.041 142 E CA -0.148 56.419 56.400 0.278 0.000 0.874 142 E CB 0.247 30.115 29.700 0.281 0.000 0.914 142 E HN 0.392 nan 8.360 nan 0.000 0.498 143 L N 3.052 124.454 121.223 0.297 0.000 2.480 143 L HA 0.100 4.545 4.340 0.175 0.000 0.243 143 L C 1.511 178.542 176.870 0.269 0.000 1.315 143 L CA -0.510 54.470 54.840 0.234 0.000 1.231 143 L CB -0.588 41.566 42.059 0.159 0.000 1.444 143 L HN 0.362 nan 8.230 nan 0.000 0.409 144 W N 0.867 122.296 121.300 0.216 0.000 2.392 144 W HA -0.067 4.701 4.660 0.179 0.000 0.279 144 W C 1.223 177.816 176.519 0.122 0.000 1.225 144 W CA 0.834 58.310 57.345 0.218 0.000 1.233 144 W CB -0.806 28.776 29.460 0.204 0.000 1.122 144 W HN 0.437 nan 8.180 nan 0.000 0.561 145 G N 2.262 110.531 108.800 -0.885 0.000 2.422 145 G HA2 -0.209 3.856 3.960 0.175 0.000 0.218 145 G HA3 -0.209 3.856 3.960 0.175 0.000 0.218 145 G C 1.816 176.500 174.900 -0.360 0.000 1.146 145 G CA 1.324 45.825 45.100 -0.999 0.000 0.769 145 G HN 0.291 nan 8.290 nan 0.000 0.547 146 L N -0.038 121.088 121.223 -0.162 0.000 2.056 146 L HA -0.029 4.416 4.340 0.175 0.000 0.207 146 L C 2.739 179.581 176.870 -0.047 0.000 1.078 146 L CA 1.371 56.110 54.840 -0.168 0.000 0.749 146 L CB -0.402 41.364 42.059 -0.489 0.000 0.901 146 L HN 0.326 nan 8.230 nan 0.000 0.433 147 E N 0.554 120.845 120.200 0.152 0.000 2.077 147 E HA -0.237 4.219 4.350 0.175 0.000 0.193 147 E C 2.230 178.978 176.600 0.246 0.000 0.989 147 E CA 1.188 57.768 56.400 0.300 0.000 0.800 147 E CB 0.042 30.017 29.700 0.458 0.000 0.746 147 E HN 0.448 nan 8.360 nan 0.000 0.452 148 A N 1.556 124.442 122.820 0.110 0.000 1.933 148 A HA -0.158 4.267 4.320 0.175 0.000 0.218 148 A C 2.160 179.709 177.584 -0.058 0.000 1.175 148 A CA 1.510 53.524 52.037 -0.039 0.000 0.628 148 A CB -0.788 18.057 19.000 -0.260 0.000 0.814 148 A HN 0.530 nan 8.150 nan 0.000 0.444 149 I N -4.438 116.080 120.570 -0.087 0.000 3.684 149 I HA 0.427 4.702 4.170 0.175 0.000 0.304 149 I C 1.163 177.264 176.117 -0.027 0.000 1.278 149 I CA 0.650 61.913 61.300 -0.063 0.000 1.272 149 I CB -0.311 37.660 38.000 -0.049 0.000 1.029 149 I HN 0.368 nan 8.210 nan 0.000 0.458 150 G N 1.533 110.328 108.800 -0.009 0.000 2.132 150 G HA2 -0.205 3.860 3.960 0.175 0.000 0.234 150 G HA3 -0.205 3.860 3.960 0.175 0.000 0.234 150 G C 0.111 174.972 174.900 -0.065 0.000 0.989 150 G CA 0.071 45.163 45.100 -0.014 0.000 0.676 150 G HN 0.283 nan 8.290 nan 0.000 0.522 151 V N 1.576 121.422 119.914 -0.114 0.000 2.637 151 V HA 0.634 4.859 4.120 0.175 0.000 0.296 151 V C 0.994 176.933 176.094 -0.259 0.000 1.046 151 V CA 1.012 63.133 62.300 -0.298 0.000 1.066 151 V CB 1.223 32.780 31.823 -0.443 0.000 0.968 151 V HN 1.056 nan 8.190 nan 0.000 0.483 152 T N 1.028 115.318 114.554 -0.440 0.000 2.868 152 T HA 0.357 4.812 4.350 0.175 0.000 0.306 152 T C 0.326 174.753 174.700 -0.454 0.000 1.224 152 T CA -0.781 61.155 62.100 -0.273 0.000 1.012 152 T CB 1.869 70.659 68.868 -0.131 0.000 1.221 152 T HN 0.461 nan 8.240 nan 0.000 0.499 153 Q N 0.089 119.776 119.800 -0.189 0.000 2.124 153 Q HA -0.181 4.264 4.340 0.175 0.000 0.202 153 Q C 2.169 178.201 176.000 0.053 0.000 0.977 153 Q CA 1.602 57.421 55.803 0.026 0.000 0.850 153 Q CB -0.099 28.729 28.738 0.150 0.000 0.901 153 Q HN 0.816 nan 8.270 nan 0.000 0.429 154 Q N 0.850 120.643 119.800 -0.011 0.000 2.084 154 Q HA -0.174 4.271 4.340 0.175 0.000 0.202 154 Q C 2.120 178.125 176.000 0.008 0.000 0.978 154 Q CA 0.944 56.753 55.803 0.010 0.000 0.844 154 Q CB -0.086 28.646 28.738 -0.010 0.000 0.898 154 Q HN 0.414 nan 8.270 nan 0.000 0.426 155 L N -0.374 120.808 121.223 -0.068 0.000 2.046 155 L HA -0.185 4.260 4.340 0.175 0.000 0.208 155 L C 1.806 178.710 176.870 0.056 0.000 1.077 155 L CA 1.155 55.959 54.840 -0.060 0.000 0.747 155 L CB -0.302 41.660 42.059 -0.162 0.000 0.896 155 L HN 0.428 nan 8.230 nan 0.000 0.432 156 W N 0.782 122.095 121.300 0.022 0.000 2.421 156 W HA -0.130 4.638 4.660 0.179 0.000 0.270 156 W C 2.422 178.942 176.519 0.002 0.000 1.233 156 W CA 0.896 58.247 57.345 0.009 0.000 1.226 156 W CB -0.659 28.810 29.460 0.016 0.000 1.121 156 W HN 0.381 nan 8.180 nan 0.000 0.579 157 E N -0.094 120.238 120.200 0.220 0.000 2.204 157 E HA -0.209 4.246 4.350 0.175 0.000 0.194 157 E C 1.843 178.491 176.600 0.080 0.000 0.989 157 E CA 1.262 57.737 56.400 0.125 0.000 0.824 157 E CB -0.119 29.634 29.700 0.087 0.000 0.756 157 E HN 0.433 nan 8.360 nan 0.000 0.477 158 E N 0.385 120.630 120.200 0.074 0.000 2.102 158 E HA 0.053 4.508 4.350 0.175 0.000 0.190 158 E C -0.043 176.573 176.600 0.026 0.000 0.971 158 E CA 0.538 56.957 56.400 0.032 0.000 0.821 158 E CB 0.397 30.105 29.700 0.013 0.000 0.777 158 E HN 0.094 nan 8.360 nan 0.000 0.460 159 A N -0.006 122.857 122.820 0.072 0.000 2.517 159 A HA 0.448 4.873 4.320 0.175 0.000 0.297 159 A C -0.277 177.404 177.584 0.161 0.000 1.050 159 A CA -0.146 51.929 52.037 0.064 0.000 0.694 159 A CB 1.660 20.667 19.000 0.012 0.000 1.277 159 A HN 0.171 nan 8.150 nan 0.000 0.400 160 S N 0.331 116.086 115.700 0.091 0.000 2.911 160 S HA 0.482 5.057 4.470 0.175 0.000 0.261 160 S C 1.049 175.630 174.600 -0.033 0.000 1.021 160 S CA 0.801 59.029 58.200 0.046 0.000 1.222 160 S CB 0.161 63.285 63.200 -0.126 0.000 1.171 160 S HN 2.769 nan 8.310 nan 0.000 0.669 161 G N 1.342 110.139 108.800 -0.004 0.000 2.144 161 G HA2 -0.214 3.852 3.960 0.175 0.000 0.218 161 G HA3 -0.214 3.852 3.960 0.175 0.000 0.218 161 G C 0.074 174.955 174.900 -0.032 0.000 0.988 161 G CA -0.186 44.904 45.100 -0.017 0.000 0.659 161 G HN 0.670 nan 8.290 nan 0.000 0.522 162 T N 1.818 116.350 114.554 -0.037 0.000 2.849 162 T HA 0.283 4.738 4.350 0.175 0.000 0.289 162 T C 1.235 175.919 174.700 -0.027 0.000 1.010 162 T CA 1.040 63.118 62.100 -0.037 0.000 1.161 162 T CB 0.290 69.137 68.868 -0.034 0.000 0.989 162 T HN 0.683 nan 8.240 nan 0.000 0.523 163 N N -0.459 118.226 118.700 -0.025 0.000 2.936 163 N HA -0.151 4.694 4.740 0.175 0.000 0.236 163 N C -0.387 175.115 175.510 -0.013 0.000 0.930 163 N CA 0.672 53.711 53.050 -0.019 0.000 0.966 163 N CB -0.979 37.497 38.487 -0.019 0.000 1.090 163 N HN 0.476 nan 8.380 nan 0.000 0.592 164 I N 1.988 122.551 120.570 -0.012 0.000 2.342 164 I HA 0.297 4.573 4.170 0.175 0.000 0.291 164 I C 1.022 177.140 176.117 0.002 0.000 1.010 164 I CA -0.562 60.737 61.300 -0.002 0.000 1.308 164 I CB 0.588 38.590 38.000 0.002 0.000 1.400 164 I HN -0.013 nan 8.210 nan 0.000 0.488 165 I N 6.571 127.148 120.570 0.010 0.000 2.315 165 I HA 0.282 4.558 4.170 0.175 0.000 0.291 165 I C -0.266 175.869 176.117 0.030 0.000 1.006 165 I CA -0.616 60.698 61.300 0.022 0.000 1.265 165 I CB 1.600 39.619 38.000 0.030 0.000 1.387 165 I HN 0.150 nan 8.210 nan 0.000 0.475 166 V N 6.263 126.196 119.914 0.031 0.000 2.384 166 V HA 0.510 4.735 4.120 0.175 0.000 0.287 166 V C 0.389 176.510 176.094 0.046 0.000 1.020 166 V CA -0.654 61.666 62.300 0.033 0.000 0.850 166 V CB 1.508 33.343 31.823 0.019 0.000 0.987 166 V HN 0.817 nan 8.190 nan 0.000 0.436 167 A N 4.956 127.807 122.820 0.052 0.000 2.320 167 A HA 0.662 5.087 4.320 0.175 0.000 0.287 167 A C -0.342 177.258 177.584 0.026 0.000 1.181 167 A CA -0.333 51.743 52.037 0.065 0.000 0.831 167 A CB 0.748 19.802 19.000 0.090 0.000 1.102 167 A HN 0.668 nan 8.150 nan 0.000 0.513 168 V N 4.748 124.686 119.914 0.040 0.000 2.304 168 V HA 0.166 4.391 4.120 0.175 0.000 0.269 168 V C -0.132 175.993 176.094 0.052 0.000 1.036 168 V CA -0.263 62.059 62.300 0.036 0.000 0.840 168 V CB 1.113 32.962 31.823 0.044 0.000 1.036 168 V HN 0.598 nan 8.190 nan 0.000 0.466 169 V N 5.563 125.495 119.914 0.029 0.000 2.322 169 V HA 0.458 4.683 4.120 0.175 0.000 0.258 169 V C 0.159 176.366 176.094 0.187 0.000 1.074 169 V CA 0.237 62.590 62.300 0.088 0.000 0.909 169 V CB 0.502 32.356 31.823 0.052 0.000 1.090 169 V HN 0.935 nan 8.190 nan 0.000 0.486 170 D N 2.442 122.945 120.400 0.173 0.000 4.243 170 D HA 0.076 4.822 4.640 0.175 0.000 0.333 170 D C 1.186 177.635 176.300 0.247 0.000 1.611 170 D CA 0.474 54.618 54.000 0.240 0.000 0.979 170 D CB 1.520 42.426 40.800 0.176 0.000 1.457 170 D HN 0.401 nan 8.370 nan 0.000 0.646 171 T N -0.785 113.895 114.554 0.210 0.000 3.148 171 T HA 0.475 4.930 4.350 0.175 0.000 0.253 171 T C 1.013 175.801 174.700 0.147 0.000 1.134 171 T CA 0.966 63.186 62.100 0.201 0.000 1.051 171 T CB -0.058 68.898 68.868 0.146 0.000 0.959 171 T HN 0.857 nan 8.240 nan 0.000 0.525 172 G N -0.010 108.858 108.800 0.113 0.000 2.663 172 G HA2 0.134 4.200 3.960 0.175 0.000 0.686 172 G HA3 0.134 4.200 3.960 0.175 0.000 0.686 172 G C -1.148 173.773 174.900 0.036 0.000 1.288 172 G CA -0.632 44.512 45.100 0.074 0.000 0.836 172 G HN 0.703 nan 8.290 nan 0.000 0.584 173 V N 0.503 120.419 119.914 0.003 0.000 2.656 173 V HA 0.543 4.768 4.120 0.175 0.000 0.307 173 V C -0.399 175.674 176.094 -0.034 0.000 1.051 173 V CA -0.378 61.918 62.300 -0.007 0.000 0.893 173 V CB 1.939 33.761 31.823 -0.001 0.000 0.999 173 V HN 0.937 nan 8.190 nan 0.000 0.426 174 D N 3.336 123.720 120.400 -0.026 0.000 2.470 174 D HA 0.195 4.941 4.640 0.175 0.000 0.226 174 D C 1.335 177.631 176.300 -0.006 0.000 1.196 174 D CA 0.328 54.311 54.000 -0.027 0.000 0.979 174 D CB 1.051 41.851 40.800 0.001 0.000 1.059 174 D HN 0.693 nan 8.370 nan 0.000 0.515 175 G N 2.121 110.909 108.800 -0.021 0.000 2.625 175 G HA2 -0.209 3.857 3.960 0.175 0.000 0.214 175 G HA3 -0.209 3.857 3.960 0.175 0.000 0.214 175 G C 1.352 176.251 174.900 -0.001 0.000 1.132 175 G CA 1.068 46.163 45.100 -0.008 0.000 0.782 175 G HN 0.540 nan 8.290 nan 0.000 0.538 176 T N -3.044 111.503 114.554 -0.012 0.000 3.129 176 T HA 0.079 4.534 4.350 0.175 0.000 0.251 176 T C 0.910 175.592 174.700 -0.029 0.000 1.117 176 T CA -0.473 61.610 62.100 -0.028 0.000 1.034 176 T CB -0.255 68.581 68.868 -0.054 0.000 0.968 176 T HN 0.271 nan 8.240 nan 0.000 0.526 177 H N 3.552 122.571 119.070 -0.086 0.000 2.928 177 H HA 0.114 4.775 4.556 0.175 0.000 0.338 177 H C -1.369 173.910 175.328 -0.081 0.000 1.047 177 H CA -1.502 54.480 56.048 -0.109 0.000 1.435 177 H CB 1.627 31.302 29.762 -0.146 0.000 1.428 177 H HN 0.085 nan 8.280 nan 0.000 0.590 178 P HA -0.152 nan 4.420 nan 0.000 0.216 178 P C 0.960 178.354 177.300 0.157 0.000 1.150 178 P CA 0.995 64.126 63.100 0.051 0.000 0.837 178 P CB 0.433 32.123 31.700 -0.016 0.000 0.786 179 D N -0.773 119.840 120.400 0.354 0.000 2.378 179 D HA 0.023 4.768 4.640 0.175 0.000 0.227 179 D C 1.425 177.739 176.300 0.023 0.000 1.012 179 D CA 0.491 54.587 54.000 0.159 0.000 0.905 179 D CB -0.182 40.693 40.800 0.125 0.000 0.895 179 D HN 0.234 nan 8.370 nan 0.000 0.532 180 L N -0.076 121.171 121.223 0.041 0.000 2.906 180 L HA 0.156 4.602 4.340 0.175 0.000 0.255 180 L C 0.777 177.645 176.870 -0.002 0.000 1.166 180 L CA -0.307 54.522 54.840 -0.018 0.000 0.977 180 L CB 0.558 42.594 42.059 -0.037 0.000 1.313 180 L HN -0.171 nan 8.230 nan 0.000 0.549 181 E N 1.489 121.697 120.200 0.013 0.000 2.465 181 E HA 0.009 4.464 4.350 0.175 0.000 0.260 181 E C 1.158 177.752 176.600 -0.009 0.000 0.980 181 E CA 1.155 57.557 56.400 0.003 0.000 0.927 181 E CB 0.868 30.571 29.700 0.005 0.000 0.934 181 E HN 0.397 nan 8.360 nan 0.000 0.459 182 G N 4.711 113.505 108.800 -0.009 0.000 2.220 182 G HA2 -0.302 3.763 3.960 0.175 0.000 0.269 182 G HA3 -0.302 3.763 3.960 0.175 0.000 0.269 182 G C 0.809 175.698 174.900 -0.018 0.000 0.977 182 G CA 0.670 45.762 45.100 -0.013 0.000 0.634 182 G HN 0.567 nan 8.290 nan 0.000 0.539 183 Q N -0.740 119.047 119.800 -0.022 0.000 2.396 183 Q HA 0.288 4.734 4.340 0.175 0.000 0.209 183 Q C 0.864 176.854 176.000 -0.017 0.000 0.906 183 Q CA 0.619 56.404 55.803 -0.030 0.000 0.927 183 Q CB 1.077 29.786 28.738 -0.049 0.000 1.069 183 Q HN 0.493 nan 8.270 nan 0.000 0.523 184 V N 3.715 123.625 119.914 -0.006 0.000 2.328 184 V HA 0.303 4.529 4.120 0.175 0.000 0.278 184 V C 0.505 176.614 176.094 0.024 0.000 1.021 184 V CA -0.641 61.663 62.300 0.008 0.000 0.838 184 V CB 0.769 32.594 31.823 0.003 0.000 0.999 184 V HN 0.138 nan 8.190 nan 0.000 0.447 185 I N 2.225 122.820 120.570 0.041 0.000 3.640 185 I HA 0.867 5.142 4.170 0.175 0.000 0.288 185 I C 0.788 176.959 176.117 0.090 0.000 1.248 185 I CA -0.865 60.472 61.300 0.060 0.000 0.911 185 I CB 0.858 38.897 38.000 0.065 0.000 1.533 185 I HN 0.523 nan 8.210 nan 0.000 0.686 186 A N 0.894 123.786 122.820 0.121 0.000 2.540 186 A HA 0.534 4.959 4.320 0.175 0.000 0.239 186 A C 0.330 178.054 177.584 0.233 0.000 1.061 186 A CA 0.539 52.675 52.037 0.164 0.000 0.758 186 A CB -0.815 18.305 19.000 0.200 0.000 0.991 186 A HN 1.061 nan 8.150 nan 0.000 0.502 187 G N -0.450 108.434 108.800 0.140 0.000 3.209 187 G HA2 0.571 4.637 3.960 0.175 0.000 0.236 187 G HA3 0.571 4.637 3.960 0.175 0.000 0.236 187 G C -1.562 173.166 174.900 -0.288 0.000 1.329 187 G CA -0.429 44.697 45.100 0.045 0.000 1.015 187 G HN 0.832 nan 8.290 nan 0.000 0.571 188 Y N -0.279 119.648 120.300 -0.622 0.000 2.470 188 Y HA 0.650 5.309 4.550 0.181 0.000 0.341 188 Y C -0.360 175.284 175.900 -0.427 0.000 1.021 188 Y CA -1.258 56.323 58.100 -0.864 0.000 1.025 188 Y CB 2.079 39.460 38.460 -1.799 0.000 1.266 188 Y HN 0.469 nan 8.280 nan 0.000 0.448 189 R N 7.952 127.996 120.500 -0.761 0.000 2.396 189 R HA 0.333 4.778 4.340 0.175 0.000 0.292 189 R C -2.138 173.611 176.300 -0.918 0.000 1.240 189 R CA -2.020 53.736 56.100 -0.573 0.000 1.270 189 R CB 0.865 30.984 30.300 -0.302 0.000 1.108 189 R HN 0.440 nan 8.270 nan 0.000 0.573 190 P HA -0.203 nan 4.420 nan 0.000 0.217 190 P C 0.994 177.981 177.300 -0.521 0.000 1.148 190 P CA 1.384 64.023 63.100 -0.768 0.000 0.828 190 P CB 0.299 31.849 31.700 -0.251 0.000 0.783 191 A N -0.873 121.507 122.820 -0.734 0.000 2.024 191 A HA -0.132 4.294 4.320 0.175 0.000 0.220 191 A C 1.440 178.215 177.584 -1.349 0.000 1.164 191 A CA 1.420 52.679 52.037 -1.296 0.000 0.643 191 A CB -1.418 16.826 19.000 -1.260 0.000 0.806 191 A HN 0.251 nan 8.150 nan 0.000 0.451 192 F N -1.692 117.983 119.950 -0.458 0.000 2.775 192 F HA 0.238 4.867 4.527 0.170 0.000 0.313 192 F C 0.408 176.070 175.800 -0.230 0.000 1.121 192 F CA -0.294 57.520 58.000 -0.310 0.000 1.206 192 F CB 0.230 39.050 39.000 -0.301 0.000 1.052 192 F HN 0.203 nan 8.300 nan 0.000 0.524 193 D N 2.482 122.779 120.400 -0.171 0.000 2.701 193 D HA -0.290 4.456 4.640 0.175 0.000 0.235 193 D C 0.092 176.389 176.300 -0.006 0.000 1.155 193 D CA 0.754 54.723 54.000 -0.052 0.000 0.649 193 D CB -0.621 40.253 40.800 0.124 0.000 1.050 193 D HN 0.589 nan 8.370 nan 0.000 0.425 194 E N 0.492 120.579 120.200 -0.189 0.000 2.133 194 E HA 0.201 4.656 4.350 0.175 0.000 0.274 194 E C -0.403 176.138 176.600 -0.098 0.000 0.930 194 E CA -0.721 55.623 56.400 -0.094 0.000 0.770 194 E CB 0.791 30.426 29.700 -0.108 0.000 1.104 194 E HN 0.179 nan 8.360 nan 0.000 0.403 195 E N 4.076 124.299 120.200 0.038 0.000 2.338 195 E HA 0.154 4.609 4.350 0.175 0.000 0.272 195 E C -0.660 175.949 176.600 0.016 0.000 1.029 195 E CA -0.223 56.212 56.400 0.058 0.000 0.872 195 E CB 0.836 30.623 29.700 0.145 0.000 1.015 195 E HN 0.528 nan 8.360 nan 0.000 0.417 196 L N 6.494 127.716 121.223 -0.002 0.000 2.276 196 L HA 0.321 4.767 4.340 0.175 0.000 0.286 196 L C -2.194 174.706 176.870 0.050 0.000 1.024 196 L CA -2.084 52.769 54.840 0.021 0.000 0.826 196 L CB 1.210 43.274 42.059 0.008 0.000 1.211 196 L HN 0.196 nan 8.230 nan 0.000 0.422 197 P HA 0.001 nan 4.420 nan 0.000 0.267 197 P C -0.207 177.120 177.300 0.045 0.000 1.200 197 P CA -0.147 62.984 63.100 0.052 0.000 0.772 197 P CB 0.633 32.355 31.700 0.037 0.000 0.855 198 A N 2.881 125.731 122.820 0.050 0.000 2.520 198 A HA 0.389 4.815 4.320 0.175 0.000 0.235 198 A C 1.603 179.199 177.584 0.022 0.000 1.065 198 A CA 0.690 52.752 52.037 0.040 0.000 0.764 198 A CB -1.378 17.646 19.000 0.040 0.000 1.002 198 A HN 0.892 nan 8.150 nan 0.000 0.502 199 G N 1.015 109.824 108.800 0.014 0.000 2.175 199 G HA2 -0.203 3.862 3.960 0.175 0.000 0.265 199 G HA3 -0.203 3.862 3.960 0.175 0.000 0.265 199 G C 0.548 175.445 174.900 -0.006 0.000 0.979 199 G CA 1.534 46.636 45.100 0.003 0.000 0.663 199 G HN 2.166 nan 8.290 nan 0.000 0.533 200 T N -2.247 112.303 114.554 -0.006 0.000 2.927 200 T HA 0.541 4.997 4.350 0.175 0.000 0.281 200 T C -0.265 174.408 174.700 -0.044 0.000 0.998 200 T CA 0.003 62.090 62.100 -0.022 0.000 1.019 200 T CB 2.273 71.132 68.868 -0.014 0.000 1.061 200 T HN 0.142 nan 8.240 nan 0.000 0.518 201 D N 0.610 120.964 120.400 -0.076 0.000 2.336 201 D HA 0.242 4.987 4.640 0.175 0.000 0.249 201 D C 0.671 176.838 176.300 -0.221 0.000 1.213 201 D CA -0.429 53.497 54.000 -0.123 0.000 0.870 201 D CB 0.544 41.268 40.800 -0.127 0.000 1.076 201 D HN 0.615 nan 8.370 nan 0.000 0.483 202 S N 1.034 116.605 115.700 -0.215 0.000 2.664 202 S HA 0.037 4.612 4.470 0.175 0.000 0.245 202 S C 0.677 175.067 174.600 -0.350 0.000 1.019 202 S CA -0.461 57.550 58.200 -0.316 0.000 0.996 202 S CB -0.474 62.707 63.200 -0.031 0.000 0.878 202 S HN 0.283 nan 8.310 nan 0.000 0.493 203 S N 0.928 116.437 115.700 -0.318 0.000 3.120 203 S HA 0.142 4.717 4.470 0.175 0.000 0.259 203 S C 0.714 175.231 174.600 -0.139 0.000 1.191 203 S CA -0.509 57.598 58.200 -0.155 0.000 1.257 203 S CB -1.254 61.900 63.200 -0.077 0.000 0.964 203 S HN 0.494 nan 8.310 nan 0.000 0.473 204 Y N 1.555 121.869 120.300 0.024 0.000 2.256 204 Y HA -0.001 4.650 4.550 0.168 0.000 0.288 204 Y C 2.470 178.401 175.900 0.051 0.000 1.155 204 Y CA 1.232 59.346 58.100 0.025 0.000 1.203 204 Y CB -0.823 37.642 38.460 0.009 0.000 0.980 204 Y HN 0.597 nan 8.280 nan 0.000 0.530 205 G N -1.305 107.621 108.800 0.210 0.000 3.042 205 G HA2 0.444 4.509 3.960 0.175 0.000 0.212 205 G HA3 0.444 4.509 3.960 0.175 0.000 0.212 205 G C 0.628 175.602 174.900 0.122 0.000 1.166 205 G CA 0.520 45.733 45.100 0.190 0.000 0.767 205 G HN 0.689 nan 8.290 nan 0.000 0.546 206 G N -0.474 108.379 108.800 0.088 0.000 2.298 206 G HA2 0.189 4.254 3.960 0.175 0.000 0.309 206 G HA3 0.189 4.254 3.960 0.175 0.000 0.309 206 G C 0.886 175.820 174.900 0.058 0.000 1.279 206 G CA 0.532 45.666 45.100 0.056 0.000 1.042 206 G HN 0.870 nan 8.290 nan 0.000 0.480 207 S N -0.353 115.384 115.700 0.061 0.000 2.501 207 S HA 0.433 5.008 4.470 0.175 0.000 0.220 207 S C 2.524 177.221 174.600 0.163 0.000 0.997 207 S CA 1.429 59.693 58.200 0.107 0.000 0.919 207 S CB 0.081 63.363 63.200 0.137 0.000 0.778 207 S HN 2.101 nan 8.310 nan 0.000 0.523 208 A N 2.381 125.283 122.820 0.136 0.000 1.873 208 A HA 0.068 4.493 4.320 0.175 0.000 0.218 208 A C 2.404 180.086 177.584 0.164 0.000 1.193 208 A CA 1.877 54.011 52.037 0.161 0.000 0.629 208 A CB -1.900 17.137 19.000 0.061 0.000 0.826 208 A HN 0.678 nan 8.150 nan 0.000 0.447 209 G N -1.574 107.297 108.800 0.118 0.000 2.442 209 G HA2 -0.169 3.896 3.960 0.175 0.000 0.219 209 G HA3 -0.169 3.896 3.960 0.175 0.000 0.219 209 G C 1.531 176.472 174.900 0.068 0.000 1.141 209 G CA 1.711 46.871 45.100 0.099 0.000 0.763 209 G HN 0.470 nan 8.290 nan 0.000 0.554 210 T N -0.494 114.095 114.554 0.059 0.000 2.857 210 T HA -0.069 4.386 4.350 0.175 0.000 0.266 210 T C 2.008 176.686 174.700 -0.037 0.000 1.048 210 T CA 1.047 63.145 62.100 -0.004 0.000 1.139 210 T CB -0.337 68.527 68.868 -0.007 0.000 0.874 210 T HN 0.393 nan 8.240 nan 0.000 0.455 211 H N 0.780 119.816 119.070 -0.057 0.000 2.353 211 H HA -0.032 4.629 4.556 0.174 0.000 0.300 211 H C 2.254 177.543 175.328 -0.065 0.000 1.090 211 H CA 1.348 57.334 56.048 -0.104 0.000 1.327 211 H CB -0.258 29.466 29.762 -0.063 0.000 1.383 211 H HN 0.145 nan 8.280 nan 0.000 0.508 212 V N 1.280 121.267 119.914 0.123 0.000 2.287 212 V HA -0.294 3.931 4.120 0.175 0.000 0.248 212 V C 3.046 179.120 176.094 -0.034 0.000 1.053 212 V CA 1.726 64.065 62.300 0.064 0.000 1.027 212 V CB -1.239 30.641 31.823 0.094 0.000 0.646 212 V HN 0.560 nan 8.190 nan 0.000 0.447 213 A N 0.436 123.231 122.820 -0.042 0.000 1.908 213 A HA -0.148 4.277 4.320 0.175 0.000 0.218 213 A C 2.412 179.917 177.584 -0.132 0.000 1.181 213 A CA 2.143 54.137 52.037 -0.072 0.000 0.627 213 A CB -1.265 17.698 19.000 -0.062 0.000 0.818 213 A HN 0.557 nan 8.150 nan 0.000 0.445 214 G N -1.492 107.189 108.800 -0.198 0.000 2.408 214 G HA2 -0.113 3.952 3.960 0.175 0.000 0.217 214 G HA3 -0.113 3.952 3.960 0.175 0.000 0.217 214 G C 1.547 176.311 174.900 -0.227 0.000 1.150 214 G CA 1.564 46.518 45.100 -0.243 0.000 0.776 214 G HN 0.431 nan 8.290 nan 0.000 0.542 215 T N 1.155 115.557 114.554 -0.254 0.000 2.788 215 T HA -0.012 4.443 4.350 0.175 0.000 0.268 215 T C 2.354 176.908 174.700 -0.244 0.000 1.044 215 T CA 0.843 62.769 62.100 -0.290 0.000 1.139 215 T CB -0.089 68.570 68.868 -0.347 0.000 0.867 215 T HN 0.251 nan 8.240 nan 0.000 0.454 216 I N 0.451 120.918 120.570 -0.172 0.000 2.277 216 I HA 0.037 4.312 4.170 0.175 0.000 0.243 216 I C 1.847 177.899 176.117 -0.109 0.000 1.094 216 I CA 0.979 62.209 61.300 -0.117 0.000 1.393 216 I CB 0.001 37.959 38.000 -0.070 0.000 1.078 216 I HN 0.140 nan 8.210 nan 0.000 0.417 217 A N 0.374 123.123 122.820 -0.119 0.000 2.573 217 A HA 0.669 5.095 4.320 0.175 0.000 0.269 217 A C 0.372 177.873 177.584 -0.137 0.000 0.901 217 A CA -0.318 51.642 52.037 -0.127 0.000 1.066 217 A CB -0.309 18.632 19.000 -0.098 0.000 1.221 217 A HN 0.151 nan 8.150 nan 0.000 0.483 218 A N 0.852 123.585 122.820 -0.145 0.000 2.531 218 A HA 0.357 4.782 4.320 0.175 0.000 0.236 218 A C 0.618 178.126 177.584 -0.126 0.000 1.062 218 A CA 0.195 52.154 52.037 -0.129 0.000 0.760 218 A CB 0.002 18.933 19.000 -0.115 0.000 0.995 218 A HN 0.553 nan 8.150 nan 0.000 0.501 219 K N 1.475 121.819 120.400 -0.093 0.000 2.448 219 K HA 0.016 4.441 4.320 0.175 0.000 0.278 219 K C 0.101 176.641 176.600 -0.100 0.000 1.009 219 K CA 0.208 56.438 56.287 -0.095 0.000 0.995 219 K CB 0.279 32.749 32.500 -0.051 0.000 0.917 219 K HN 0.628 nan 8.250 nan 0.000 0.481 220 K N 4.097 124.407 120.400 -0.149 0.000 2.250 220 K HA 0.003 4.428 4.320 0.175 0.000 0.285 220 K C -0.749 175.816 176.600 -0.057 0.000 1.097 220 K CA -0.154 56.055 56.287 -0.129 0.000 0.913 220 K CB 0.282 32.642 32.500 -0.234 0.000 1.179 220 K HN 0.618 nan 8.250 nan 0.000 0.462 221 D N 2.899 123.290 120.400 -0.016 0.000 2.615 221 D HA 0.114 4.859 4.640 0.175 0.000 0.274 221 D C 0.855 177.167 176.300 0.020 0.000 1.512 221 D CA 0.199 54.200 54.000 0.001 0.000 0.803 221 D CB 0.208 41.009 40.800 0.001 0.000 1.182 221 D HN 0.662 nan 8.370 nan 0.000 0.473 222 G N 0.376 109.195 108.800 0.033 0.000 2.267 222 G HA2 -0.287 3.779 3.960 0.175 0.000 0.257 222 G HA3 -0.287 3.779 3.960 0.175 0.000 0.257 222 G C 0.223 175.145 174.900 0.037 0.000 0.998 222 G CA 0.428 45.552 45.100 0.040 0.000 0.620 222 G HN 0.401 nan 8.290 nan 0.000 0.529 223 K N 0.655 121.077 120.400 0.037 0.000 2.166 223 K HA 0.637 5.062 4.320 0.175 0.000 0.245 223 K C 1.242 177.866 176.600 0.040 0.000 0.967 223 K CA 0.084 56.394 56.287 0.039 0.000 0.863 223 K CB 1.156 33.689 32.500 0.054 0.000 1.107 223 K HN 1.241 nan 8.250 nan 0.000 0.436 224 G N 1.584 110.383 108.800 -0.002 0.000 2.634 224 G HA2 -0.336 3.729 3.960 0.175 0.000 0.309 224 G HA3 -0.336 3.729 3.960 0.175 0.000 0.309 224 G C 0.344 175.181 174.900 -0.106 0.000 1.265 224 G CA 0.774 45.807 45.100 -0.111 0.000 0.998 224 G HN 0.740 nan 8.290 nan 0.000 0.551 225 I N -2.866 117.685 120.570 -0.032 0.000 3.619 225 I HA 0.921 5.196 4.170 0.175 0.000 0.284 225 I C 0.063 176.187 176.117 0.012 0.000 1.240 225 I CA -1.048 60.245 61.300 -0.011 0.000 1.016 225 I CB 1.738 39.720 38.000 -0.030 0.000 1.374 225 I HN 1.073 nan 8.210 nan 0.000 0.553 226 V N 0.468 120.382 119.914 -0.000 0.000 3.012 226 V HA 0.784 5.009 4.120 0.175 0.000 0.307 226 V C 0.081 176.131 176.094 -0.074 0.000 1.166 226 V CA -0.089 62.183 62.300 -0.046 0.000 0.974 226 V CB 1.723 33.543 31.823 -0.005 0.000 1.040 226 V HN 1.103 nan 8.190 nan 0.000 0.428 227 G N 2.863 111.580 108.800 -0.138 0.000 2.580 227 G HA2 0.430 4.495 3.960 0.175 0.000 0.278 227 G HA3 0.430 4.495 3.960 0.175 0.000 0.278 227 G C 0.898 175.777 174.900 -0.035 0.000 1.212 227 G CA 0.233 45.258 45.100 -0.125 0.000 0.939 227 G HN 0.902 nan 8.290 nan 0.000 0.513 228 V N 0.598 120.507 119.914 -0.009 0.000 2.407 228 V HA 0.017 4.243 4.120 0.175 0.000 0.248 228 V C 1.965 178.181 176.094 0.204 0.000 1.055 228 V CA 2.179 64.560 62.300 0.135 0.000 1.049 228 V CB -0.463 31.387 31.823 0.044 0.000 0.662 228 V HN 0.822 nan 8.190 nan 0.000 0.455 229 A N 0.351 123.172 122.820 0.002 0.000 3.064 229 A HA 0.521 4.947 4.320 0.175 0.000 0.339 229 A C -1.336 176.122 177.584 -0.210 0.000 1.078 229 A CA -0.994 51.003 52.037 -0.068 0.000 0.869 229 A CB 0.347 19.336 19.000 -0.018 0.000 1.067 229 A HN 0.309 nan 8.150 nan 0.000 0.480 230 P HA -0.097 nan 4.420 nan 0.000 0.228 230 P C 1.282 178.411 177.300 -0.286 0.000 1.151 230 P CA 1.633 64.484 63.100 -0.416 0.000 0.770 230 P CB 0.199 31.485 31.700 -0.691 0.000 0.786 231 G N -0.533 108.120 108.800 -0.245 0.000 2.683 231 G HA2 0.260 4.325 3.960 0.175 0.000 0.213 231 G HA3 0.260 4.325 3.960 0.175 0.000 0.213 231 G C 0.806 175.648 174.900 -0.097 0.000 1.142 231 G CA 0.401 45.411 45.100 -0.151 0.000 0.793 231 G HN 0.455 nan 8.290 nan 0.000 0.534 232 A N -0.013 122.753 122.820 -0.090 0.000 2.280 232 A HA 0.687 5.113 4.320 0.175 0.000 0.268 232 A C 0.135 177.690 177.584 -0.048 0.000 1.111 232 A CA -0.046 51.959 52.037 -0.054 0.000 0.814 232 A CB 0.655 19.631 19.000 -0.040 0.000 1.093 232 A HN 0.086 nan 8.150 nan 0.000 0.498 233 K N 0.079 120.464 120.400 -0.025 0.000 2.375 233 K HA 0.517 4.943 4.320 0.175 0.000 0.249 233 K C -1.257 175.344 176.600 0.001 0.000 0.942 233 K CA -0.545 55.733 56.287 -0.014 0.000 0.806 233 K CB 1.773 34.273 32.500 -0.000 0.000 1.227 233 K HN 0.486 nan 8.250 nan 0.000 0.430 234 I N 2.565 123.137 120.570 0.004 0.000 2.336 234 I HA 0.350 4.626 4.170 0.175 0.000 0.292 234 I C 0.134 176.278 176.117 0.046 0.000 0.991 234 I CA -0.553 60.757 61.300 0.016 0.000 1.227 234 I CB 1.208 39.208 38.000 -0.002 0.000 1.366 234 I HN 0.503 nan 8.210 nan 0.000 0.466 235 M N 9.783 129.425 119.600 0.070 0.000 2.044 235 M HA 0.439 5.024 4.480 0.175 0.000 0.333 235 M C -2.629 173.734 176.300 0.105 0.000 1.004 235 M CA -1.537 53.834 55.300 0.117 0.000 0.954 235 M CB 1.617 34.319 32.600 0.170 0.000 1.468 235 M HN 0.164 nan 8.290 nan 0.000 0.414 236 P HA 0.241 nan 4.420 nan 0.000 0.281 236 P C -1.183 176.146 177.300 0.049 0.000 1.252 236 P CA -0.221 62.914 63.100 0.059 0.000 0.778 236 P CB 0.914 32.638 31.700 0.039 0.000 0.895 237 I N 4.190 124.792 120.570 0.053 0.000 2.411 237 I HA 0.158 4.434 4.170 0.175 0.000 0.284 237 I C 0.069 176.192 176.117 0.011 0.000 1.012 237 I CA -0.975 60.344 61.300 0.032 0.000 1.119 237 I CB 1.868 39.926 38.000 0.096 0.000 1.261 237 I HN 0.021 nan 8.210 nan 0.000 0.448 238 V N 7.599 127.487 119.914 -0.045 0.000 2.372 238 V HA 0.168 4.393 4.120 0.175 0.000 0.261 238 V C 1.290 177.318 176.094 -0.110 0.000 1.055 238 V CA -0.040 62.246 62.300 -0.024 0.000 0.930 238 V CB 0.771 32.600 31.823 0.010 0.000 1.031 238 V HN 0.719 nan 8.190 nan 0.000 0.479 239 I N 0.009 120.524 120.570 -0.092 0.000 4.139 239 I HA 0.453 4.728 4.170 0.175 0.000 0.335 239 I C 0.093 175.917 176.117 -0.489 0.000 1.327 239 I CA 0.473 61.593 61.300 -0.300 0.000 1.112 239 I CB 0.355 38.143 38.000 -0.353 0.000 1.058 239 I HN 0.314 nan 8.210 nan 0.000 0.396 240 F N 2.563 122.500 119.950 -0.022 0.000 2.430 240 F HA 0.483 5.113 4.527 0.172 0.000 0.362 240 F C 0.178 175.999 175.800 0.036 0.000 1.103 240 F CA -0.714 57.308 58.000 0.037 0.000 1.045 240 F CB 0.696 39.739 39.000 0.073 0.000 1.276 240 F HN 0.003 nan 8.300 nan 0.000 0.444 241 D N 0.836 121.273 120.400 0.061 0.000 2.539 241 D HA 0.042 4.787 4.640 0.175 0.000 0.280 241 D C -0.842 175.529 176.300 0.119 0.000 1.208 241 D CA -0.228 53.815 54.000 0.072 0.000 1.088 241 D CB 1.162 41.924 40.800 -0.063 0.000 1.149 241 D HN 0.283 nan 8.370 nan 0.000 0.596 242 D N 0.349 120.813 120.400 0.106 0.000 2.338 242 D HA 0.072 4.817 4.640 0.175 0.000 0.255 242 D C -1.531 174.810 176.300 0.069 0.000 1.237 242 D CA -1.479 52.584 54.000 0.106 0.000 0.883 242 D CB 1.369 42.229 40.800 0.100 0.000 1.087 242 D HN 0.069 nan 8.370 nan 0.000 0.485 243 P HA -0.145 nan 4.420 nan 0.000 0.223 243 P C 0.844 178.168 177.300 0.040 0.000 1.144 243 P CA 0.670 63.805 63.100 0.058 0.000 0.783 243 P CB 0.244 31.988 31.700 0.073 0.000 0.771 244 A N -0.629 122.215 122.820 0.040 0.000 2.067 244 A HA 0.008 4.433 4.320 0.175 0.000 0.217 244 A C 2.256 179.854 177.584 0.023 0.000 1.156 244 A CA 0.821 52.875 52.037 0.028 0.000 0.683 244 A CB -1.059 17.957 19.000 0.027 0.000 0.808 244 A HN 0.174 nan 8.150 nan 0.000 0.455 245 L N -0.902 120.340 121.223 0.032 0.000 2.357 245 L HA 0.036 4.482 4.340 0.175 0.000 0.211 245 L C 1.928 178.840 176.870 0.070 0.000 1.075 245 L CA 0.873 55.749 54.840 0.060 0.000 0.830 245 L CB 0.302 42.403 42.059 0.070 0.000 0.996 245 L HN 0.341 nan 8.230 nan 0.000 0.467 246 V N -3.902 116.018 119.914 0.010 0.000 3.528 246 V HA 0.589 4.815 4.120 0.175 0.000 0.294 246 V C 0.865 176.925 176.094 -0.057 0.000 1.404 246 V CA 0.068 62.319 62.300 -0.082 0.000 1.065 246 V CB -0.510 31.201 31.823 -0.186 0.000 0.904 246 V HN 0.381 nan 8.190 nan 0.000 0.435 247 G N 0.042 108.835 108.800 -0.012 0.000 2.782 247 G HA2 0.288 4.354 3.960 0.175 0.000 0.228 247 G HA3 0.288 4.354 3.960 0.175 0.000 0.228 247 G C 0.765 175.680 174.900 0.025 0.000 1.372 247 G CA -0.119 44.984 45.100 0.004 0.000 0.862 247 G HN 2.157 nan 8.290 nan 0.000 0.547 248 G N -0.009 108.813 108.800 0.036 0.000 2.652 248 G HA2 -0.129 3.936 3.960 0.175 0.000 0.318 248 G HA3 -0.129 3.936 3.960 0.175 0.000 0.318 248 G C 0.950 175.902 174.900 0.087 0.000 1.295 248 G CA 1.626 46.764 45.100 0.062 0.000 0.999 248 G HN 2.584 nan 8.290 nan 0.000 0.548 249 N N 1.798 120.579 118.700 0.136 0.000 2.251 249 N HA 0.416 5.261 4.740 0.175 0.000 0.217 249 N C 1.540 177.195 175.510 0.242 0.000 1.124 249 N CA 1.185 54.341 53.050 0.176 0.000 0.843 249 N CB 0.393 39.005 38.487 0.209 0.000 1.024 249 N HN 2.325 nan 8.380 nan 0.000 0.501 250 G N -0.485 108.413 108.800 0.163 0.000 2.217 250 G HA2 -0.331 3.735 3.960 0.175 0.000 0.246 250 G HA3 -0.331 3.735 3.960 0.175 0.000 0.246 250 G C -0.324 174.581 174.900 0.008 0.000 0.990 250 G CA 0.110 45.286 45.100 0.127 0.000 0.627 250 G HN 0.491 nan 8.290 nan 0.000 0.522 251 Y N 2.398 122.604 120.300 -0.158 0.000 2.620 251 Y HA 0.297 4.952 4.550 0.174 0.000 0.330 251 Y C 1.720 177.401 175.900 -0.366 0.000 1.186 251 Y CA 0.276 58.037 58.100 -0.565 0.000 1.467 251 Y CB 1.121 39.375 38.460 -0.342 0.000 1.262 251 Y HN 0.606 nan 8.280 nan 0.000 0.550 252 V N 3.348 122.675 119.914 -0.979 0.000 3.217 252 V HA 0.378 4.603 4.120 0.175 0.000 0.264 252 V C 0.855 176.547 176.094 -0.670 0.000 1.135 252 V CA 0.653 62.508 62.300 -0.741 0.000 1.142 252 V CB -1.276 30.172 31.823 -0.625 0.000 0.754 252 V HN 1.447 nan 8.190 nan 0.000 0.484 253 G N 0.069 108.115 108.800 -1.256 0.000 2.617 253 G HA2 -0.123 3.942 3.960 0.175 0.000 0.686 253 G HA3 -0.123 3.942 3.960 0.175 0.000 0.686 253 G C -0.383 174.296 174.900 -0.368 0.000 1.214 253 G CA -0.063 44.703 45.100 -0.556 0.000 0.796 253 G HN 0.191 nan 8.290 nan 0.000 0.654 254 D N 0.382 120.827 120.400 0.075 0.000 2.178 254 D HA -0.083 4.662 4.640 0.175 0.000 0.201 254 D C 2.213 178.555 176.300 0.070 0.000 0.980 254 D CA 1.824 55.947 54.000 0.205 0.000 0.842 254 D CB -0.034 40.953 40.800 0.310 0.000 0.948 254 D HN 0.675 nan 8.370 nan 0.000 0.472 255 D N -0.170 120.210 120.400 -0.034 0.000 2.117 255 D HA -0.209 4.536 4.640 0.175 0.000 0.198 255 D C 1.957 178.105 176.300 -0.254 0.000 0.982 255 D CA 1.031 54.937 54.000 -0.156 0.000 0.828 255 D CB -1.123 39.513 40.800 -0.272 0.000 0.967 255 D HN 0.329 nan 8.370 nan 0.000 0.464 256 Y N 0.707 120.915 120.300 -0.153 0.000 2.373 256 Y HA -0.024 4.628 4.550 0.170 0.000 0.293 256 Y C 2.713 178.522 175.900 -0.151 0.000 1.129 256 Y CA 0.438 58.426 58.100 -0.186 0.000 1.226 256 Y CB -0.077 38.194 38.460 -0.315 0.000 1.000 256 Y HN -0.141 nan 8.280 nan 0.000 0.549 257 V N -0.261 119.622 119.914 -0.050 0.000 2.307 257 V HA -0.333 3.893 4.120 0.175 0.000 0.245 257 V C 2.506 178.673 176.094 0.122 0.000 1.045 257 V CA 1.714 64.011 62.300 -0.004 0.000 1.024 257 V CB -1.232 30.581 31.823 -0.018 0.000 0.651 257 V HN 0.465 nan 8.190 nan 0.000 0.449 258 A N 0.096 122.985 122.820 0.115 0.000 1.908 258 A HA -0.189 4.236 4.320 0.175 0.000 0.218 258 A C 2.438 180.067 177.584 0.074 0.000 1.181 258 A CA 2.298 54.401 52.037 0.110 0.000 0.627 258 A CB -0.854 18.187 19.000 0.068 0.000 0.818 258 A HN 0.589 nan 8.150 nan 0.000 0.445 259 A N -0.595 122.262 122.820 0.061 0.000 1.908 259 A HA 0.091 4.516 4.320 0.175 0.000 0.218 259 A C 2.423 180.157 177.584 0.250 0.000 1.181 259 A CA 2.020 54.131 52.037 0.123 0.000 0.627 259 A CB -1.388 17.697 19.000 0.140 0.000 0.818 259 A HN 0.771 nan 8.150 nan 0.000 0.445 260 G N -0.285 108.668 108.800 0.256 0.000 2.408 260 G HA2 -0.141 3.925 3.960 0.175 0.000 0.217 260 G HA3 -0.141 3.925 3.960 0.175 0.000 0.217 260 G C 1.520 176.596 174.900 0.294 0.000 1.150 260 G CA 1.047 46.340 45.100 0.321 0.000 0.776 260 G HN 0.476 nan 8.290 nan 0.000 0.542 261 I N 0.089 120.795 120.570 0.226 0.000 2.252 261 I HA -0.094 4.182 4.170 0.175 0.000 0.245 261 I C 2.460 178.684 176.117 0.178 0.000 1.102 261 I CA 0.452 61.873 61.300 0.201 0.000 1.385 261 I CB -0.084 38.017 38.000 0.168 0.000 1.064 261 I HN 0.070 nan 8.210 nan 0.000 0.414 262 I N -0.211 120.427 120.570 0.114 0.000 2.226 262 I HA -0.284 3.992 4.170 0.175 0.000 0.245 262 I C 2.205 178.403 176.117 0.135 0.000 1.100 262 I CA 1.529 62.842 61.300 0.022 0.000 1.374 262 I CB -0.677 37.211 38.000 -0.188 0.000 1.057 262 I HN 0.320 nan 8.210 nan 0.000 0.413 263 W N 1.213 122.489 121.300 -0.040 0.000 2.335 263 W HA -0.262 4.447 4.660 0.082 0.000 0.311 263 W C 2.573 179.105 176.519 0.022 0.000 1.213 263 W CA 2.527 59.811 57.345 -0.102 0.000 1.274 263 W CB -0.271 28.915 29.460 -0.456 0.000 1.148 263 W HN 0.127 nan 8.180 nan 0.000 0.498 264 A N -0.572 122.499 122.820 0.418 0.000 1.902 264 A HA -0.207 4.219 4.320 0.175 0.000 0.217 264 A C 1.870 179.519 177.584 0.109 0.000 1.181 264 A CA 2.459 54.678 52.037 0.302 0.000 0.623 264 A CB -1.371 17.799 19.000 0.284 0.000 0.818 264 A HN 0.317 nan 8.150 nan 0.000 0.443 265 T N 0.220 114.831 114.554 0.095 0.000 2.708 265 T HA -0.120 4.335 4.350 0.175 0.000 0.266 265 T C 1.470 176.109 174.700 -0.102 0.000 1.037 265 T CA 1.567 63.671 62.100 0.006 0.000 1.146 265 T CB -0.432 68.462 68.868 0.044 0.000 0.865 265 T HN 0.452 nan 8.240 nan 0.000 0.435 266 D N 0.449 120.789 120.400 -0.101 0.000 2.218 266 D HA -0.059 4.686 4.640 0.175 0.000 0.204 266 D C 1.434 177.499 176.300 -0.393 0.000 0.976 266 D CA 0.928 54.794 54.000 -0.224 0.000 0.853 266 D CB -0.213 40.469 40.800 -0.197 0.000 0.939 266 D HN 0.533 nan 8.370 nan 0.000 0.481 267 H N -1.113 117.706 119.070 -0.418 0.000 2.519 267 H HA 0.305 4.917 4.556 0.093 0.000 0.289 267 H C 1.205 176.389 175.328 -0.240 0.000 1.040 267 H CA 0.500 56.273 56.048 -0.458 0.000 1.165 267 H CB 0.754 29.978 29.762 -0.896 0.000 1.462 267 H HN 0.175 nan 8.280 nan 0.000 0.555 268 G N 0.842 109.579 108.800 -0.105 0.000 2.176 268 G HA2 -0.270 3.796 3.960 0.175 0.000 0.232 268 G HA3 -0.270 3.796 3.960 0.175 0.000 0.232 268 G C 0.580 175.475 174.900 -0.009 0.000 0.986 268 G CA 0.006 45.074 45.100 -0.054 0.000 0.643 268 G HN 0.601 nan 8.290 nan 0.000 0.522 269 A N 0.006 122.838 122.820 0.020 0.000 2.511 269 A HA 0.593 5.018 4.320 0.175 0.000 0.242 269 A C 1.312 178.912 177.584 0.027 0.000 1.069 269 A CA 0.976 53.038 52.037 0.041 0.000 0.763 269 A CB 0.397 19.443 19.000 0.076 0.000 1.001 269 A HN 0.167 nan 8.150 nan 0.000 0.498 270 K N 0.929 121.344 120.400 0.025 0.000 2.360 270 K HA 0.258 4.683 4.320 0.175 0.000 0.196 270 K C -0.137 176.479 176.600 0.028 0.000 1.049 270 K CA 0.495 56.793 56.287 0.019 0.000 1.049 270 K CB 0.603 33.111 32.500 0.013 0.000 0.881 270 K HN 0.577 nan 8.250 nan 0.000 0.542 271 V N 0.882 120.819 119.914 0.038 0.000 3.048 271 V HA 0.507 4.733 4.120 0.175 0.000 0.303 271 V C -1.873 174.253 176.094 0.054 0.000 1.214 271 V CA -0.855 61.475 62.300 0.051 0.000 0.984 271 V CB 2.235 34.089 31.823 0.053 0.000 1.054 271 V HN 0.021 nan 8.190 nan 0.000 0.430 272 M N 5.444 125.085 119.600 0.068 0.000 2.530 272 M HA 0.527 5.112 4.480 0.175 0.000 0.307 272 M C -0.912 175.393 176.300 0.009 0.000 1.161 272 M CA -0.556 54.753 55.300 0.015 0.000 0.903 272 M CB 2.153 34.761 32.600 0.014 0.000 1.711 272 M HN 0.714 nan 8.290 nan 0.000 0.451 273 N N 2.028 120.682 118.700 -0.077 0.000 2.392 273 N HA 0.337 5.182 4.740 0.175 0.000 0.283 273 N C -1.731 173.740 175.510 -0.065 0.000 1.003 273 N CA -0.165 52.894 53.050 0.014 0.000 0.892 273 N CB 1.108 39.628 38.487 0.055 0.000 1.193 273 N HN 0.708 nan 8.380 nan 0.000 0.487 274 H N 1.648 120.890 119.070 0.286 0.000 2.609 274 H HA 0.302 4.966 4.556 0.180 0.000 0.344 274 H C -0.738 174.738 175.328 0.246 0.000 1.040 274 H CA -0.539 55.743 56.048 0.392 0.000 1.216 274 H CB 1.733 31.701 29.762 0.344 0.000 1.529 274 H HN 0.397 nan 8.280 nan 0.000 0.519 275 S N 4.703 120.680 115.700 0.463 0.000 2.235 275 S HA 0.162 4.737 4.470 0.175 0.000 0.152 275 S C -0.726 174.069 174.600 0.325 0.000 1.649 275 S CA -0.877 57.480 58.200 0.261 0.000 1.277 275 S CB 0.403 63.720 63.200 0.195 0.000 1.299 275 S HN 0.582 nan 8.310 nan 0.000 0.388 276 W N -0.092 121.314 121.300 0.176 0.000 3.025 276 W HA 0.816 5.578 4.660 0.170 0.000 0.343 276 W C -0.374 176.213 176.519 0.113 0.000 1.246 276 W CA -1.061 56.376 57.345 0.153 0.000 1.178 276 W CB 0.702 30.389 29.460 0.379 0.000 1.463 276 W HN 0.452 nan 8.180 nan 0.000 0.578 277 G N -0.496 108.455 108.800 0.251 0.000 2.322 277 G HA2 0.603 4.668 3.960 0.175 0.000 0.295 277 G HA3 0.603 4.668 3.960 0.175 0.000 0.295 277 G C -1.426 173.532 174.900 0.096 0.000 1.369 277 G CA 0.160 45.253 45.100 -0.011 0.000 0.821 277 G HN 1.438 nan 8.290 nan 0.000 0.536 278 G N -2.223 106.596 108.800 0.033 0.000 2.576 278 G HA2 0.456 4.521 3.960 0.175 0.000 0.290 278 G HA3 0.456 4.521 3.960 0.175 0.000 0.290 278 G C 0.030 174.992 174.900 0.103 0.000 1.442 278 G CA 0.333 45.501 45.100 0.113 0.000 0.792 278 G HN 1.352 nan 8.290 nan 0.000 0.491 279 W N 1.183 122.489 121.300 0.009 0.000 2.363 279 W HA 0.185 4.951 4.660 0.176 0.000 0.296 279 W C 1.466 177.988 176.519 0.005 0.000 1.212 279 W CA 1.424 58.770 57.345 0.001 0.000 1.260 279 W CB -0.057 29.408 29.460 0.008 0.000 1.131 279 W HN 0.741 nan 8.180 nan 0.000 0.530 280 G N 0.918 109.504 108.800 -0.358 0.000 2.313 280 G HA2 -0.043 4.023 3.960 0.175 0.000 0.250 280 G HA3 -0.043 4.023 3.960 0.175 0.000 0.250 280 G C -1.390 172.917 174.900 -0.989 0.000 1.281 280 G CA -0.486 43.893 45.100 -1.203 0.000 0.917 280 G HN 0.290 nan 8.290 nan 0.000 0.501 281 Y N 3.350 122.893 120.300 -1.263 0.000 2.436 281 Y HA 0.407 5.064 4.550 0.179 0.000 0.343 281 Y C 0.635 176.090 175.900 -0.740 0.000 1.008 281 Y CA -0.233 57.182 58.100 -1.141 0.000 1.241 281 Y CB 0.900 38.783 38.460 -0.962 0.000 1.153 281 Y HN 0.469 nan 8.280 nan 0.000 0.521 282 S N 5.394 120.747 115.700 -0.578 0.000 2.437 282 S HA 0.231 4.806 4.470 0.175 0.000 0.305 282 S C 0.251 174.626 174.600 -0.376 0.000 1.109 282 S CA -0.583 57.515 58.200 -0.170 0.000 1.099 282 S CB 0.418 63.675 63.200 0.095 0.000 1.004 282 S HN 0.774 nan 8.310 nan 0.000 0.475 283 Y N 3.100 123.196 120.300 -0.341 0.000 2.314 283 Y HA -0.049 4.606 4.550 0.175 0.000 0.293 283 Y C 2.751 178.411 175.900 -0.400 0.000 1.129 283 Y CA 1.529 59.313 58.100 -0.527 0.000 1.201 283 Y CB -0.454 37.360 38.460 -1.077 0.000 0.999 283 Y HN 0.621 nan 8.280 nan 0.000 0.541 284 T N -0.234 114.266 114.554 -0.090 0.000 2.737 284 T HA -0.231 4.224 4.350 0.175 0.000 0.265 284 T C 1.924 176.650 174.700 0.044 0.000 1.038 284 T CA 1.600 63.762 62.100 0.103 0.000 1.144 284 T CB -0.341 68.643 68.868 0.194 0.000 0.866 284 T HN 0.189 nan 8.240 nan 0.000 0.434 285 M N 1.175 120.792 119.600 0.029 0.000 2.229 285 M HA 0.056 4.641 4.480 0.175 0.000 0.264 285 M C 1.929 178.114 176.300 -0.193 0.000 1.063 285 M CA 1.462 56.818 55.300 0.093 0.000 1.114 285 M CB -0.267 32.482 32.600 0.248 0.000 1.387 285 M HN -0.032 nan 8.290 nan 0.000 0.420 286 K N 0.149 120.173 120.400 -0.626 0.000 2.026 286 K HA -0.138 4.287 4.320 0.175 0.000 0.208 286 K C 1.811 178.208 176.600 -0.340 0.000 1.048 286 K CA 1.625 57.327 56.287 -0.974 0.000 0.929 286 K CB -0.271 31.678 32.500 -0.918 0.000 0.713 286 K HN 0.289 nan 8.250 nan 0.000 0.439 287 E N 0.097 120.205 120.200 -0.153 0.000 2.110 287 E HA -0.158 4.297 4.350 0.175 0.000 0.193 287 E C 1.970 178.616 176.600 0.078 0.000 0.988 287 E CA 1.325 57.724 56.400 -0.002 0.000 0.804 287 E CB -0.361 29.368 29.700 0.049 0.000 0.745 287 E HN 0.446 nan 8.360 nan 0.000 0.458 288 A N 0.362 123.239 122.820 0.094 0.000 1.898 288 A HA -0.132 4.294 4.320 0.175 0.000 0.216 288 A C 2.049 179.757 177.584 0.206 0.000 1.181 288 A CA 0.974 53.098 52.037 0.145 0.000 0.620 288 A CB -0.742 18.363 19.000 0.176 0.000 0.819 288 A HN 0.147 nan 8.150 nan 0.000 0.442 289 F N 0.796 120.757 119.950 0.019 0.000 2.134 289 F HA -0.135 4.508 4.527 0.193 0.000 0.299 289 F C 1.952 177.794 175.800 0.070 0.000 1.097 289 F CA 1.774 59.799 58.000 0.042 0.000 1.264 289 F CB -0.253 38.716 39.000 -0.051 0.000 1.001 289 F HN 0.225 nan 8.300 nan 0.000 0.479 290 D N -1.598 118.916 120.400 0.190 0.000 2.178 290 D HA -0.206 4.540 4.640 0.175 0.000 0.202 290 D C 1.978 178.394 176.300 0.193 0.000 0.974 290 D CA 0.929 55.019 54.000 0.149 0.000 0.841 290 D CB -0.666 40.172 40.800 0.063 0.000 0.953 290 D HN 0.317 nan 8.370 nan 0.000 0.478 291 Y N 1.650 122.006 120.300 0.093 0.000 2.145 291 Y HA -0.193 4.453 4.550 0.160 0.000 0.286 291 Y C 2.282 178.306 175.900 0.208 0.000 1.145 291 Y CA 1.909 60.098 58.100 0.149 0.000 1.148 291 Y CB -0.297 38.225 38.460 0.103 0.000 0.981 291 Y HN -0.048 nan 8.280 nan 0.000 0.507 292 A N 0.457 123.443 122.820 0.276 0.000 1.877 292 A HA -0.221 4.205 4.320 0.175 0.000 0.216 292 A C 2.306 179.936 177.584 0.077 0.000 1.186 292 A CA 2.126 54.241 52.037 0.130 0.000 0.620 292 A CB -0.825 18.204 19.000 0.049 0.000 0.822 292 A HN 0.600 nan 8.150 nan 0.000 0.443 293 M N -1.055 118.596 119.600 0.084 0.000 2.229 293 M HA -0.150 4.435 4.480 0.175 0.000 0.264 293 M C 1.930 178.272 176.300 0.070 0.000 1.063 293 M CA 1.477 56.808 55.300 0.052 0.000 1.114 293 M CB -0.422 32.254 32.600 0.126 0.000 1.387 293 M HN 0.483 nan 8.290 nan 0.000 0.420 294 E N -0.624 119.617 120.200 0.069 0.000 2.268 294 E HA -0.149 4.306 4.350 0.175 0.000 0.195 294 E C 1.376 177.867 176.600 -0.183 0.000 0.995 294 E CA 0.676 57.063 56.400 -0.022 0.000 0.836 294 E CB 0.032 29.683 29.700 -0.083 0.000 0.763 294 E HN 0.573 nan 8.360 nan 0.000 0.491 295 H N -1.018 117.960 119.070 -0.153 0.000 2.526 295 H HA 0.124 4.793 4.556 0.188 0.000 0.274 295 H C 1.076 176.346 175.328 -0.096 0.000 0.999 295 H CA 0.681 56.627 56.048 -0.170 0.000 1.157 295 H CB 0.890 30.491 29.762 -0.269 0.000 1.407 295 H HN 0.314 nan 8.280 nan 0.000 0.568 296 G N 1.439 110.238 108.800 -0.003 0.000 2.136 296 G HA2 -0.293 3.772 3.960 0.175 0.000 0.242 296 G HA3 -0.293 3.772 3.960 0.175 0.000 0.242 296 G C 0.512 175.391 174.900 -0.036 0.000 0.989 296 G CA 0.444 45.524 45.100 -0.032 0.000 0.682 296 G HN 0.390 nan 8.290 nan 0.000 0.522 297 V N -1.397 118.510 119.914 -0.012 0.000 2.546 297 V HA 0.806 5.031 4.120 0.175 0.000 0.284 297 V C 0.750 176.837 176.094 -0.011 0.000 1.050 297 V CA -1.017 61.283 62.300 -0.000 0.000 0.981 297 V CB 1.873 33.710 31.823 0.023 0.000 0.990 297 V HN 0.521 nan 8.190 nan 0.000 0.474 298 V N 6.906 126.825 119.914 0.009 0.000 2.546 298 V HA 0.426 4.652 4.120 0.175 0.000 0.284 298 V C 0.375 176.524 176.094 0.092 0.000 1.050 298 V CA -0.349 61.972 62.300 0.035 0.000 0.981 298 V CB 1.351 33.198 31.823 0.041 0.000 0.990 298 V HN 0.890 nan 8.190 nan 0.000 0.474 299 M N 5.300 124.987 119.600 0.145 0.000 2.078 299 M HA 0.413 4.998 4.480 0.175 0.000 0.320 299 M C -0.849 175.631 176.300 0.299 0.000 0.969 299 M CA -0.435 55.010 55.300 0.242 0.000 0.929 299 M CB 1.302 34.044 32.600 0.236 0.000 1.504 299 M HN 0.312 nan 8.290 nan 0.000 0.419 300 V N 4.701 124.798 119.914 0.305 0.000 2.407 300 V HA 0.588 4.813 4.120 0.175 0.000 0.278 300 V C 0.004 176.290 176.094 0.321 0.000 1.037 300 V CA -0.593 61.862 62.300 0.259 0.000 0.900 300 V CB 1.798 33.736 31.823 0.191 0.000 0.983 300 V HN 0.613 nan 8.190 nan 0.000 0.459 301 V N 3.893 123.953 119.914 0.243 0.000 2.638 301 V HA 0.472 4.697 4.120 0.175 0.000 0.306 301 V C 0.199 176.362 176.094 0.116 0.000 1.052 301 V CA -0.673 61.739 62.300 0.186 0.000 0.885 301 V CB 2.384 34.254 31.823 0.078 0.000 0.999 301 V HN 0.964 nan 8.190 nan 0.000 0.424 302 S N 3.680 119.443 115.700 0.104 0.000 2.576 302 S HA 0.682 5.257 4.470 0.175 0.000 0.276 302 S C 0.352 174.975 174.600 0.038 0.000 1.339 302 S CA 0.051 58.306 58.200 0.091 0.000 1.039 302 S CB 1.286 64.551 63.200 0.109 0.000 0.902 302 S HN 1.458 nan 8.310 nan 0.000 0.516 303 A N 2.914 125.764 122.820 0.050 0.000 2.366 303 A HA 0.608 5.034 4.320 0.175 0.000 0.250 303 A C 1.149 178.744 177.584 0.018 0.000 1.099 303 A CA -0.164 51.883 52.037 0.017 0.000 0.794 303 A CB -0.933 18.086 19.000 0.031 0.000 1.056 303 A HN 1.526 nan 8.150 nan 0.000 0.499 304 G N -1.475 107.318 108.800 -0.011 0.000 2.825 304 G HA2 0.293 4.358 3.960 0.175 0.000 0.241 304 G HA3 0.293 4.358 3.960 0.175 0.000 0.241 304 G C 0.886 175.819 174.900 0.055 0.000 1.239 304 G CA 0.486 45.585 45.100 -0.003 0.000 0.859 304 G HN 1.381 nan 8.290 nan 0.000 0.598 305 N N -0.702 118.024 118.700 0.043 0.000 2.395 305 N HA 0.388 5.233 4.740 0.175 0.000 0.175 305 N C 1.112 176.685 175.510 0.104 0.000 1.029 305 N CA 2.041 55.128 53.050 0.062 0.000 0.897 305 N CB -0.410 38.076 38.487 -0.001 0.000 0.991 305 N HN 1.511 nan 8.380 nan 0.000 0.441 306 N N -3.863 114.880 118.700 0.071 0.000 3.386 306 N HA 0.576 5.421 4.740 0.175 0.000 0.305 306 N C 1.033 176.562 175.510 0.032 0.000 1.380 306 N CA 0.936 54.028 53.050 0.071 0.000 0.832 306 N CB -0.627 37.898 38.487 0.064 0.000 1.714 306 N HN 0.563 nan 8.380 nan 0.000 0.419 307 T N -1.876 112.692 114.554 0.023 0.000 2.925 307 T HA 0.554 5.010 4.350 0.175 0.000 0.245 307 T C 2.568 177.270 174.700 0.003 0.000 1.025 307 T CA 2.956 65.060 62.100 0.007 0.000 1.149 307 T CB -1.074 67.795 68.868 0.001 0.000 0.866 307 T HN 1.822 nan 8.240 nan 0.000 0.437 308 S N 1.163 116.866 115.700 0.005 0.000 2.400 308 S HA 0.139 4.714 4.470 0.175 0.000 0.234 308 S C 1.337 175.937 174.600 -0.000 0.000 1.049 308 S CA 2.050 60.250 58.200 -0.000 0.000 1.039 308 S CB -1.362 61.838 63.200 -0.000 0.000 0.856 308 S HN 0.858 nan 8.310 nan 0.000 0.465 309 D N 0.283 120.685 120.400 0.004 0.000 2.557 309 D HA 0.707 5.453 4.640 0.175 0.000 0.236 309 D C 0.545 176.850 176.300 0.009 0.000 1.154 309 D CA 0.287 54.291 54.000 0.007 0.000 0.985 309 D CB -0.512 40.292 40.800 0.007 0.000 1.010 309 D HN 0.625 nan 8.370 nan 0.000 0.516 310 S N -0.296 115.409 115.700 0.008 0.000 2.981 310 S HA 0.417 4.992 4.470 0.175 0.000 0.235 310 S C 1.066 175.686 174.600 0.033 0.000 0.983 310 S CA 0.899 59.105 58.200 0.010 0.000 1.051 310 S CB -1.119 62.086 63.200 0.009 0.000 0.814 310 S HN 1.053 nan 8.310 nan 0.000 0.518 311 H N -2.253 116.839 119.070 0.036 0.000 3.397 311 H HA 0.639 5.300 4.556 0.175 0.000 0.155 311 H C 1.542 176.862 175.328 -0.014 0.000 1.557 311 H CA 0.730 56.818 56.048 0.067 0.000 1.675 311 H CB -1.042 28.777 29.762 0.095 0.000 1.056 311 H HN 1.565 nan 8.280 nan 0.000 0.889 312 H N -0.539 118.519 119.070 -0.020 0.000 2.845 312 H HA -0.226 4.436 4.556 0.175 0.000 0.296 312 H C 1.646 176.829 175.328 -0.242 0.000 1.116 312 H CA 1.798 57.785 56.048 -0.103 0.000 1.162 312 H CB -2.902 26.816 29.762 -0.074 0.000 1.338 312 H HN 0.723 nan 8.280 nan 0.000 0.370 313 Q N -1.301 118.320 119.800 -0.298 0.000 2.084 313 Q HA 0.011 4.456 4.340 0.175 0.000 0.202 313 Q C 0.266 175.654 176.000 -1.020 0.000 0.978 313 Q CA 1.645 57.080 55.803 -0.613 0.000 0.844 313 Q CB 0.176 28.525 28.738 -0.649 0.000 0.898 313 Q HN 0.953 nan 8.270 nan 0.000 0.426 314 Y N -0.130 119.885 120.300 -0.475 0.000 2.485 314 Y HA 0.214 4.868 4.550 0.173 0.000 0.345 314 Y C -1.573 173.914 175.900 -0.689 0.000 0.998 314 Y CA -2.474 55.173 58.100 -0.755 0.000 1.059 314 Y CB 1.495 39.377 38.460 -0.964 0.000 1.234 314 Y HN -0.101 nan 8.280 nan 0.000 0.461 315 P HA -0.086 nan 4.420 nan 0.000 0.237 315 P C 0.898 177.758 177.300 -0.734 0.000 1.178 315 P CA 1.182 63.727 63.100 -0.925 0.000 0.766 315 P CB 0.134 31.080 31.700 -1.257 0.000 0.876 316 A N 1.112 123.587 122.820 -0.575 0.000 1.948 316 A HA -0.113 4.313 4.320 0.175 0.000 0.220 316 A C 2.449 179.840 177.584 -0.322 0.000 1.177 316 A CA 1.993 53.816 52.037 -0.356 0.000 0.636 316 A CB -1.878 16.949 19.000 -0.289 0.000 0.815 316 A HN 0.333 nan 8.150 nan 0.000 0.449 317 G N -2.352 106.106 108.800 -0.570 0.000 2.848 317 G HA2 0.170 4.235 3.960 0.175 0.000 0.208 317 G HA3 0.170 4.235 3.960 0.175 0.000 0.208 317 G C 0.356 175.245 174.900 -0.019 0.000 1.152 317 G CA -0.242 44.600 45.100 -0.431 0.000 0.789 317 G HN 0.552 nan 8.290 nan 0.000 0.531 318 Y N 1.794 122.118 120.300 0.040 0.000 2.359 318 Y HA 0.218 4.872 4.550 0.174 0.000 0.330 318 Y C -1.472 174.507 175.900 0.132 0.000 1.143 318 Y CA -2.439 55.687 58.100 0.043 0.000 1.318 318 Y CB 0.881 39.229 38.460 -0.187 0.000 1.234 318 Y HN 0.016 nan 8.280 nan 0.000 0.522 319 P HA 0.035 nan 4.420 nan 0.000 0.268 319 P C 0.681 178.143 177.300 0.269 0.000 1.204 319 P CA 0.981 64.291 63.100 0.350 0.000 0.768 319 P CB 1.220 33.088 31.700 0.280 0.000 0.842 320 G N 1.402 110.384 108.800 0.304 0.000 2.259 320 G HA2 -0.215 3.850 3.960 0.175 0.000 0.217 320 G HA3 -0.215 3.850 3.960 0.175 0.000 0.217 320 G C 0.137 175.225 174.900 0.315 0.000 1.001 320 G CA 0.063 45.348 45.100 0.308 0.000 0.627 320 G HN 0.717 nan 8.290 nan 0.000 0.501 321 V N 0.117 120.221 119.914 0.317 0.000 3.185 321 V HA 0.682 4.907 4.120 0.175 0.000 0.305 321 V C 0.954 177.205 176.094 0.261 0.000 1.090 321 V CA -0.725 61.754 62.300 0.298 0.000 1.107 321 V CB 1.286 33.281 31.823 0.287 0.000 1.061 321 V HN 0.376 nan 8.190 nan 0.000 0.480 322 I N 2.700 123.410 120.570 0.233 0.000 2.307 322 I HA 0.342 4.617 4.170 0.175 0.000 0.287 322 I C 0.230 176.457 176.117 0.183 0.000 1.054 322 I CA 0.008 61.434 61.300 0.209 0.000 1.218 322 I CB 1.025 39.136 38.000 0.186 0.000 1.398 322 I HN 0.823 nan 8.210 nan 0.000 0.475 323 Q N 5.784 125.682 119.800 0.164 0.000 2.267 323 Q HA 0.464 4.909 4.340 0.175 0.000 0.255 323 Q C -1.349 174.721 176.000 0.117 0.000 0.923 323 Q CA -0.471 55.403 55.803 0.117 0.000 0.925 323 Q CB 1.641 30.426 28.738 0.078 0.000 1.195 323 Q HN 0.481 nan 8.270 nan 0.000 0.417 324 V N 2.969 122.948 119.914 0.109 0.000 2.495 324 V HA 0.681 4.907 4.120 0.175 0.000 0.298 324 V C -0.284 175.870 176.094 0.099 0.000 1.031 324 V CA -0.745 61.623 62.300 0.112 0.000 0.871 324 V CB 1.290 33.192 31.823 0.132 0.000 0.988 324 V HN 0.918 nan 8.190 nan 0.000 0.432 325 A N 3.526 126.398 122.820 0.087 0.000 2.282 325 A HA 0.911 5.336 4.320 0.175 0.000 0.319 325 A C 0.256 177.898 177.584 0.096 0.000 1.121 325 A CA -0.250 51.832 52.037 0.075 0.000 0.836 325 A CB 1.095 20.118 19.000 0.037 0.000 1.146 325 A HN 1.317 nan 8.150 nan 0.000 0.494 326 A N 1.242 124.120 122.820 0.098 0.000 2.301 326 A HA 0.633 5.058 4.320 0.175 0.000 0.298 326 A C -0.386 177.228 177.584 0.050 0.000 1.185 326 A CA -0.279 51.835 52.037 0.127 0.000 0.830 326 A CB -0.038 19.124 19.000 0.270 0.000 1.112 326 A HN 0.764 nan 8.150 nan 0.000 0.508 327 L N 1.945 123.235 121.223 0.112 0.000 2.334 327 L HA 0.505 4.950 4.340 0.175 0.000 0.276 327 L C -0.384 176.644 176.870 0.262 0.000 1.014 327 L CA -0.812 54.109 54.840 0.135 0.000 0.815 327 L CB 1.934 44.071 42.059 0.130 0.000 1.268 327 L HN 0.769 nan 8.230 nan 0.000 0.428 328 D N 0.294 120.806 120.400 0.187 0.000 2.467 328 D HA 0.411 5.157 4.640 0.175 0.000 0.245 328 D C -1.776 174.588 176.300 0.107 0.000 1.038 328 D CA -0.218 53.880 54.000 0.163 0.000 1.038 328 D CB 1.992 42.814 40.800 0.037 0.000 1.278 328 D HN 0.305 nan 8.370 nan 0.000 0.564 329 Y N 1.308 121.471 120.300 -0.228 0.000 2.361 329 Y HA 0.507 5.162 4.550 0.175 0.000 0.328 329 Y C -2.089 173.706 175.900 -0.174 0.000 1.044 329 Y CA -0.714 57.163 58.100 -0.372 0.000 1.085 329 Y CB 1.010 39.052 38.460 -0.697 0.000 1.194 329 Y HN 0.389 nan 8.280 nan 0.000 0.438 330 Y N 3.548 123.442 120.300 -0.676 0.000 2.565 330 Y HA 0.489 5.144 4.550 0.175 0.000 0.330 330 Y C 0.364 175.986 175.900 -0.464 0.000 1.150 330 Y CA -0.555 57.289 58.100 -0.427 0.000 1.055 330 Y CB 2.109 40.426 38.460 -0.238 0.000 1.337 330 Y HN 0.850 nan 8.280 nan 0.000 0.457 331 G N 2.304 110.536 108.800 -0.947 0.000 2.249 331 G HA2 0.063 4.128 3.960 0.175 0.000 0.273 331 G HA3 0.063 4.128 3.960 0.175 0.000 0.273 331 G C 1.046 175.685 174.900 -0.434 0.000 1.036 331 G CA 1.171 45.916 45.100 -0.591 0.000 0.824 331 G HN 2.219 nan 8.290 nan 0.000 0.504 332 G N -2.062 106.412 108.800 -0.544 0.000 2.153 332 G HA2 0.190 4.255 3.960 0.175 0.000 0.252 332 G HA3 0.190 4.255 3.960 0.175 0.000 0.252 332 G C 0.642 175.286 174.900 -0.426 0.000 0.994 332 G CA 1.618 46.500 45.100 -0.363 0.000 0.698 332 G HN 2.802 nan 8.290 nan 0.000 0.521 333 T N -2.727 111.338 114.554 -0.816 0.000 2.916 333 T HA 0.687 5.143 4.350 0.175 0.000 0.305 333 T C -0.206 174.136 174.700 -0.597 0.000 1.119 333 T CA -1.013 60.838 62.100 -0.415 0.000 1.008 333 T CB 1.928 70.736 68.868 -0.100 0.000 1.129 333 T HN 0.349 nan 8.240 nan 0.000 0.480 334 F N 2.045 121.899 119.950 -0.160 0.000 2.406 334 F HA 0.672 5.304 4.527 0.176 0.000 0.327 334 F C 1.447 176.979 175.800 -0.448 0.000 1.153 334 F CA -0.070 57.716 58.000 -0.357 0.000 1.218 334 F CB 0.921 39.408 39.000 -0.856 0.000 1.215 334 F HN 0.722 nan 8.300 nan 0.000 0.570 335 R N -0.044 120.368 120.500 -0.147 0.000 2.664 335 R HA 0.532 4.977 4.340 0.175 0.000 0.266 335 R C -2.131 174.175 176.300 0.010 0.000 1.046 335 R CA -0.981 55.119 56.100 -0.000 0.000 0.885 335 R CB 0.499 30.797 30.300 -0.004 0.000 1.254 335 R HN 0.330 nan 8.270 nan 0.000 0.465 336 V N 1.800 121.745 119.914 0.051 0.000 2.655 336 V HA 0.067 4.292 4.120 0.175 0.000 0.300 336 V C 1.904 177.905 176.094 -0.154 0.000 1.044 336 V CA 0.780 63.063 62.300 -0.027 0.000 1.095 336 V CB 0.971 32.773 31.823 -0.034 0.000 0.952 336 V HN 1.027 nan 8.190 nan 0.000 0.485 337 A N 3.471 126.113 122.820 -0.297 0.000 2.032 337 A HA 0.126 4.551 4.320 0.175 0.000 0.221 337 A C 2.132 179.340 177.584 -0.626 0.000 1.165 337 A CA 2.167 53.872 52.037 -0.553 0.000 0.645 337 A CB -0.727 17.618 19.000 -1.092 0.000 0.807 337 A HN 1.983 nan 8.150 nan 0.000 0.453 338 G N -1.415 107.079 108.800 -0.509 0.000 2.611 338 G HA2 -0.326 3.739 3.960 0.175 0.000 0.208 338 G HA3 -0.326 3.739 3.960 0.175 0.000 0.208 338 G C 0.834 175.601 174.900 -0.223 0.000 1.201 338 G CA 0.640 45.567 45.100 -0.289 0.000 0.739 338 G HN 1.118 nan 8.290 nan 0.000 0.528 339 F N 2.339 122.291 119.950 0.003 0.000 2.748 339 F HA 0.612 5.244 4.527 0.175 0.000 0.299 339 F C 1.248 177.049 175.800 0.001 0.000 1.154 339 F CA 0.113 58.112 58.000 -0.002 0.000 1.446 339 F CB -0.581 38.419 39.000 -0.001 0.000 1.112 339 F HN 0.230 nan 8.300 nan 0.000 0.584 340 S N 1.455 117.086 115.700 -0.115 0.000 2.488 340 S HA 0.494 5.070 4.470 0.175 0.000 0.278 340 S C 0.633 175.239 174.600 0.010 0.000 1.259 340 S CA -0.090 58.121 58.200 0.019 0.000 1.061 340 S CB -0.665 62.472 63.200 -0.105 0.000 0.910 340 S HN 0.660 nan 8.310 nan 0.000 0.491 341 S N 4.483 120.208 115.700 0.043 0.000 2.525 341 S HA 0.199 4.774 4.470 0.175 0.000 0.285 341 S C 0.394 174.986 174.600 -0.014 0.000 1.283 341 S CA -0.116 58.089 58.200 0.008 0.000 1.072 341 S CB 0.070 63.270 63.200 0.001 0.000 0.867 341 S HN 0.832 nan 8.310 nan 0.000 0.492 342 R N 2.431 122.919 120.500 -0.020 0.000 2.347 342 R HA 0.429 4.874 4.340 0.175 0.000 0.304 342 R C -0.556 175.750 176.300 0.009 0.000 1.072 342 R CA 0.303 56.392 56.100 -0.019 0.000 0.980 342 R CB 0.144 30.428 30.300 -0.026 0.000 0.986 342 R HN 0.766 nan 8.270 nan 0.000 0.448 343 S N 1.315 117.015 115.700 -0.000 0.000 2.535 343 S HA 0.083 4.658 4.470 0.175 0.000 0.272 343 S C -0.103 174.417 174.600 -0.134 0.000 1.149 343 S CA -0.719 57.480 58.200 -0.003 0.000 0.888 343 S CB 1.525 64.701 63.200 -0.040 0.000 1.110 343 S HN 0.741 nan 8.310 nan 0.000 0.463 344 D N 1.397 121.655 120.400 -0.238 0.000 2.351 344 D HA 0.064 4.810 4.640 0.175 0.000 0.216 344 D C 1.569 177.835 176.300 -0.057 0.000 0.968 344 D CA 0.974 54.730 54.000 -0.406 0.000 0.899 344 D CB -0.354 40.264 40.800 -0.304 0.000 0.907 344 D HN 0.712 nan 8.370 nan 0.000 0.514 345 G N 0.157 108.925 108.800 -0.054 0.000 2.744 345 G HA2 0.011 4.076 3.960 0.175 0.000 0.211 345 G HA3 0.011 4.076 3.960 0.175 0.000 0.211 345 G C 0.518 175.456 174.900 0.063 0.000 1.143 345 G CA -0.250 44.852 45.100 0.003 0.000 0.788 345 G HN 0.230 nan 8.290 nan 0.000 0.534 346 V N 2.054 121.981 119.914 0.022 0.000 2.529 346 V HA 0.098 4.324 4.120 0.175 0.000 0.292 346 V C 1.659 177.834 176.094 0.135 0.000 1.028 346 V CA 0.757 63.081 62.300 0.041 0.000 1.074 346 V CB 1.135 32.930 31.823 -0.047 0.000 0.958 346 V HN 0.450 nan 8.190 nan 0.000 0.481 347 S N 4.663 120.480 115.700 0.194 0.000 2.371 347 S HA 0.162 4.738 4.470 0.175 0.000 0.219 347 S C 0.553 175.336 174.600 0.306 0.000 1.040 347 S CA 0.775 59.165 58.200 0.317 0.000 0.958 347 S CB 0.286 63.653 63.200 0.278 0.000 0.860 347 S HN 1.086 nan 8.310 nan 0.000 0.487 348 V N -2.794 117.238 119.914 0.196 0.000 3.206 348 V HA 0.909 5.134 4.120 0.175 0.000 0.305 348 V C -0.205 175.961 176.094 0.120 0.000 1.257 348 V CA -0.539 61.861 62.300 0.166 0.000 1.057 348 V CB 1.171 33.095 31.823 0.168 0.000 1.075 348 V HN 0.519 nan 8.190 nan 0.000 0.443 349 G N -0.626 108.246 108.800 0.120 0.000 2.511 349 G HA2 1.020 5.085 3.960 0.175 0.000 0.318 349 G HA3 1.020 5.085 3.960 0.175 0.000 0.318 349 G C -0.665 174.273 174.900 0.063 0.000 1.210 349 G CA -0.361 44.801 45.100 0.104 0.000 0.969 349 G HN 1.871 nan 8.290 nan 0.000 0.484 350 A N 0.694 123.534 122.820 0.032 0.000 2.593 350 A HA 0.921 5.347 4.320 0.175 0.000 0.290 350 A C -2.962 174.546 177.584 -0.126 0.000 1.126 350 A CA -1.347 50.650 52.037 -0.067 0.000 0.695 350 A CB 1.584 20.577 19.000 -0.012 0.000 1.290 350 A HN 0.530 nan 8.150 nan 0.000 0.414 351 P HA 0.160 nan 4.420 nan 0.000 0.261 351 P C 0.475 177.676 177.300 -0.166 0.000 1.183 351 P CA 0.986 63.812 63.100 -0.456 0.000 0.761 351 P CB 0.515 31.430 31.700 -1.310 0.000 0.785 352 G N 1.975 110.890 108.800 0.191 0.000 4.530 352 G HA2 0.359 4.425 3.960 0.175 0.000 0.284 352 G HA3 0.359 4.425 3.960 0.175 0.000 0.284 352 G C -0.698 174.463 174.900 0.435 0.000 1.008 352 G CA -0.020 45.264 45.100 0.306 0.000 0.770 352 G HN 0.399 nan 8.290 nan 0.000 0.424 353 V N 0.400 120.630 119.914 0.526 0.000 2.760 353 V HA 0.517 4.742 4.120 0.175 0.000 0.309 353 V C 0.554 177.012 176.094 0.606 0.000 1.077 353 V CA -0.370 62.227 62.300 0.494 0.000 0.910 353 V CB 1.546 33.596 31.823 0.377 0.000 1.008 353 V HN 0.373 nan 8.190 nan 0.000 0.424 354 T N 4.423 119.266 114.554 0.482 0.000 3.886 354 T HA -0.136 4.319 4.350 0.175 0.000 0.371 354 T C -0.161 174.964 174.700 0.707 0.000 0.760 354 T CA 0.373 62.798 62.100 0.540 0.000 1.966 354 T CB -1.262 67.835 68.868 0.383 0.000 1.793 354 T HN 0.402 nan 8.240 nan 0.000 0.798 355 I N 1.409 122.316 120.570 0.561 0.000 2.297 355 I HA 0.375 4.650 4.170 0.175 0.000 0.291 355 I C 0.398 176.719 176.117 0.340 0.000 1.033 355 I CA -1.209 60.349 61.300 0.429 0.000 1.253 355 I CB 0.965 39.218 38.000 0.421 0.000 1.396 355 I HN 0.280 nan 8.210 nan 0.000 0.476 356 L N 6.768 128.084 121.223 0.155 0.000 2.319 356 L HA 0.507 4.952 4.340 0.175 0.000 0.280 356 L C 0.175 176.917 176.870 -0.213 0.000 1.099 356 L CA 0.984 55.719 54.840 -0.175 0.000 0.828 356 L CB 0.949 42.836 42.059 -0.286 0.000 1.150 356 L HN 0.702 nan 8.230 nan 0.000 0.442 357 S N 1.692 117.178 115.700 -0.356 0.000 2.672 357 S HA 0.619 5.194 4.470 0.175 0.000 0.271 357 S C -0.920 173.458 174.600 -0.371 0.000 1.171 357 S CA -0.125 57.758 58.200 -0.527 0.000 0.817 357 S CB 1.092 63.562 63.200 -1.216 0.000 1.150 357 S HN 0.863 nan 8.310 nan 0.000 0.478 358 T N 0.672 114.937 114.554 -0.481 0.000 2.901 358 T HA 0.554 5.009 4.350 0.175 0.000 0.301 358 T C 0.282 174.758 174.700 -0.373 0.000 1.012 358 T CA -0.205 61.483 62.100 -0.686 0.000 1.135 358 T CB 0.188 68.460 68.868 -0.993 0.000 0.936 358 T HN 1.229 nan 8.240 nan 0.000 0.539 359 V N -0.704 119.084 119.914 -0.210 0.000 3.040 359 V HA 0.798 5.023 4.120 0.175 0.000 0.312 359 V C -2.879 173.262 176.094 0.079 0.000 1.115 359 V CA -3.268 59.022 62.300 -0.016 0.000 0.998 359 V CB 1.822 33.668 31.823 0.039 0.000 1.042 359 V HN 0.764 nan 8.190 nan 0.000 0.433 360 P HA 0.172 nan 4.420 nan 0.000 0.267 360 P C 0.425 177.817 177.300 0.154 0.000 1.200 360 P CA 0.692 63.860 63.100 0.113 0.000 0.772 360 P CB 0.509 32.271 31.700 0.103 0.000 0.855 361 G N 2.050 110.854 108.800 0.007 0.000 2.667 361 G HA2 -0.027 4.039 3.960 0.175 0.000 0.250 361 G HA3 -0.027 4.039 3.960 0.175 0.000 0.250 361 G C 0.913 175.688 174.900 -0.208 0.000 1.212 361 G CA -0.364 44.663 45.100 -0.122 0.000 0.874 361 G HN 0.505 nan 8.290 nan 0.000 0.561 362 E N -0.128 119.738 120.200 -0.557 0.000 2.147 362 E HA -0.148 4.307 4.350 0.175 0.000 0.199 362 E C 0.732 176.972 176.600 -0.600 0.000 1.005 362 E CA 1.407 57.162 56.400 -1.075 0.000 0.810 362 E CB 0.133 29.422 29.700 -0.686 0.000 0.736 362 E HN 0.412 nan 8.360 nan 0.000 0.460 363 D N 0.092 120.307 120.400 -0.308 0.000 2.388 363 D HA 0.126 4.871 4.640 0.175 0.000 0.221 363 D C -0.234 176.002 176.300 -0.107 0.000 1.133 363 D CA 0.127 54.022 54.000 -0.174 0.000 0.831 363 D CB 0.540 41.257 40.800 -0.137 0.000 0.962 363 D HN -0.108 nan 8.370 nan 0.000 0.502 364 S N -0.014 115.636 115.700 -0.083 0.000 2.652 364 S HA 0.289 4.864 4.470 0.175 0.000 0.270 364 S C 1.944 176.539 174.600 -0.009 0.000 1.243 364 S CA -0.668 57.506 58.200 -0.044 0.000 0.999 364 S CB 1.551 64.737 63.200 -0.023 0.000 0.973 364 S HN 0.034 nan 8.310 nan 0.000 0.544 365 I N 1.310 121.846 120.570 -0.057 0.000 2.127 365 I HA -0.148 4.127 4.170 0.175 0.000 0.241 365 I C 2.137 178.257 176.117 0.006 0.000 1.075 365 I CA 1.513 62.779 61.300 -0.058 0.000 1.334 365 I CB -0.511 37.367 38.000 -0.203 0.000 1.040 365 I HN 0.765 nan 8.210 nan 0.000 0.405 366 G N -0.795 108.008 108.800 0.005 0.000 3.383 366 G HA2 -0.045 4.020 3.960 0.175 0.000 0.251 366 G HA3 -0.045 4.020 3.960 0.175 0.000 0.251 366 G C 0.127 175.086 174.900 0.099 0.000 1.203 366 G CA -0.383 44.746 45.100 0.048 0.000 0.852 366 G HN 0.183 nan 8.290 nan 0.000 0.531 367 Y N 1.321 121.625 120.300 0.007 0.000 2.717 367 Y HA 0.094 4.748 4.550 0.174 0.000 0.330 367 Y C 0.820 176.753 175.900 0.055 0.000 1.217 367 Y CA 0.381 58.499 58.100 0.030 0.000 1.506 367 Y CB 0.617 39.087 38.460 0.018 0.000 1.268 367 Y HN 0.292 nan 8.280 nan 0.000 0.561 368 E N 4.364 124.216 120.200 -0.579 0.000 3.191 368 E HA 0.333 4.788 4.350 0.175 0.000 0.192 368 E C 0.195 176.465 176.600 -0.548 0.000 0.972 368 E CA 0.215 56.365 56.400 -0.417 0.000 1.266 368 E CB 0.140 29.750 29.700 -0.150 0.000 1.076 368 E HN 1.001 nan 8.360 nan 0.000 0.462 369 G N 2.333 110.358 108.800 -1.291 0.000 2.661 369 G HA2 -0.138 3.927 3.960 0.175 0.000 0.685 369 G HA3 -0.138 3.927 3.960 0.175 0.000 0.685 369 G C -0.780 174.070 174.900 -0.083 0.000 1.298 369 G CA -0.446 44.319 45.100 -0.558 0.000 0.855 369 G HN 0.325 nan 8.290 nan 0.000 0.560 370 H N -0.741 118.368 119.070 0.065 0.000 3.003 370 H HA 0.601 5.262 4.556 0.176 0.000 0.327 370 H C -1.278 174.155 175.328 0.175 0.000 1.353 370 H CA -0.634 55.503 56.048 0.148 0.000 1.142 370 H CB 1.255 31.152 29.762 0.225 0.000 1.864 370 H HN 0.682 nan 8.280 nan 0.000 0.529 371 N N 1.567 120.348 118.700 0.136 0.000 2.437 371 N HA 0.001 4.846 4.740 0.175 0.000 0.243 371 N C 0.814 176.372 175.510 0.079 0.000 1.041 371 N CA 0.088 53.197 53.050 0.098 0.000 0.940 371 N CB 0.882 39.547 38.487 0.298 0.000 1.133 371 N HN 0.761 nan 8.380 nan 0.000 0.506 372 E N 2.479 122.621 120.200 -0.097 0.000 2.409 372 E HA -0.109 4.346 4.350 0.175 0.000 0.198 372 E C 0.089 176.757 176.600 0.114 0.000 1.024 372 E CA 0.692 57.107 56.400 0.025 0.000 0.861 372 E CB 0.041 29.722 29.700 -0.032 0.000 0.788 372 E HN 0.433 nan 8.360 nan 0.000 0.521 373 N N 1.055 119.825 118.700 0.117 0.000 2.463 373 N HA 0.005 4.850 4.740 0.175 0.000 0.181 373 N C 0.007 175.603 175.510 0.144 0.000 1.078 373 N CA 0.242 53.363 53.050 0.118 0.000 0.902 373 N CB 0.438 38.987 38.487 0.103 0.000 0.970 373 N HN 0.035 nan 8.380 nan 0.000 0.451 374 V N 4.792 124.817 119.914 0.186 0.000 2.458 374 V HA 0.008 4.233 4.120 0.175 0.000 0.287 374 V C -1.457 174.689 176.094 0.087 0.000 1.009 374 V CA -0.567 61.819 62.300 0.145 0.000 1.091 374 V CB 0.449 32.349 31.823 0.130 0.000 0.960 374 V HN 0.141 nan 8.190 nan 0.000 0.476 375 P HA 0.192 nan 4.420 nan 0.000 0.249 375 P C 0.073 177.374 177.300 0.002 0.000 1.686 375 P CA 0.057 63.178 63.100 0.035 0.000 0.873 375 P CB 0.109 31.831 31.700 0.036 0.000 1.828 376 A N 0.996 123.812 122.820 -0.006 0.000 2.371 376 A HA 0.423 4.848 4.320 0.175 0.000 0.257 376 A C 1.210 178.819 177.584 0.043 0.000 1.089 376 A CA -0.059 51.967 52.037 -0.019 0.000 0.794 376 A CB 0.225 19.231 19.000 0.009 0.000 1.029 376 A HN 0.308 nan 8.150 nan 0.000 0.488 377 T N -1.704 112.874 114.554 0.040 0.000 3.228 377 T HA 0.120 4.575 4.350 0.175 0.000 0.278 377 T C 0.250 174.977 174.700 0.045 0.000 1.014 377 T CA 0.118 62.242 62.100 0.040 0.000 0.904 377 T CB -0.552 68.332 68.868 0.027 0.000 1.110 377 T HN 0.693 nan 8.240 nan 0.000 0.541 378 N N 0.793 119.535 118.700 0.069 0.000 2.187 378 N HA 0.288 5.133 4.740 0.175 0.000 0.212 378 N C 1.509 177.035 175.510 0.027 0.000 1.152 378 N CA 0.148 53.232 53.050 0.057 0.000 0.872 378 N CB -0.041 38.501 38.487 0.091 0.000 1.025 378 N HN 0.485 nan 8.380 nan 0.000 0.514 379 G N -1.148 107.670 108.800 0.031 0.000 2.162 379 G HA2 -0.205 3.861 3.960 0.175 0.000 0.260 379 G HA3 -0.205 3.861 3.960 0.175 0.000 0.260 379 G C 0.389 175.242 174.900 -0.078 0.000 0.976 379 G CA 0.182 45.272 45.100 -0.017 0.000 0.655 379 G HN 0.794 nan 8.290 nan 0.000 0.533 380 G N -0.450 108.330 108.800 -0.034 0.000 2.537 380 G HA2 0.681 4.746 3.960 0.175 0.000 0.273 380 G HA3 0.681 4.746 3.960 0.175 0.000 0.273 380 G C 0.296 175.129 174.900 -0.112 0.000 1.189 380 G CA 0.630 45.572 45.100 -0.263 0.000 0.881 380 G HN 1.203 nan 8.290 nan 0.000 0.535 381 T N -1.555 112.798 114.554 -0.335 0.000 2.824 381 T HA 0.666 5.122 4.350 0.175 0.000 0.280 381 T C -1.045 173.510 174.700 -0.242 0.000 0.995 381 T CA -0.503 61.506 62.100 -0.153 0.000 1.009 381 T CB 1.267 69.977 68.868 -0.263 0.000 0.955 381 T HN 0.409 nan 8.240 nan 0.000 0.452 382 Y N -0.065 120.334 120.300 0.166 0.000 2.609 382 Y HA 0.758 5.414 4.550 0.176 0.000 0.342 382 Y C -0.275 175.637 175.900 0.020 0.000 1.058 382 Y CA -1.057 57.064 58.100 0.035 0.000 1.055 382 Y CB 2.447 40.874 38.460 -0.055 0.000 1.292 382 Y HN 0.733 nan 8.280 nan 0.000 0.476 383 D N -0.599 119.815 120.400 0.024 0.000 2.623 383 D HA 0.298 5.043 4.640 0.175 0.000 0.241 383 D C -1.971 174.254 176.300 -0.125 0.000 1.241 383 D CA -0.781 53.217 54.000 -0.003 0.000 0.788 383 D CB 1.586 42.414 40.800 0.047 0.000 1.413 383 D HN 0.360 nan 8.370 nan 0.000 0.429 384 Y N 1.283 121.678 120.300 0.158 0.000 2.335 384 Y HA 0.447 5.103 4.550 0.177 0.000 0.339 384 Y C -0.188 175.919 175.900 0.346 0.000 0.987 384 Y CA -0.436 57.803 58.100 0.232 0.000 1.140 384 Y CB 0.782 39.373 38.460 0.219 0.000 1.173 384 Y HN 0.135 nan 8.280 nan 0.000 0.486 385 Y N 1.412 121.838 120.300 0.210 0.000 2.587 385 Y HA 0.537 5.191 4.550 0.174 0.000 0.337 385 Y C -0.220 175.746 175.900 0.110 0.000 1.065 385 Y CA -2.117 55.982 58.100 -0.002 0.000 1.126 385 Y CB 2.076 40.293 38.460 -0.405 0.000 1.279 385 Y HN 0.496 nan 8.280 nan 0.000 0.489 386 Q N 0.553 120.462 119.800 0.183 0.000 2.389 386 Q HA 0.685 5.131 4.340 0.175 0.000 0.277 386 Q C -1.066 174.897 176.000 -0.061 0.000 1.082 386 Q CA -0.588 55.313 55.803 0.163 0.000 0.810 386 Q CB 2.986 31.826 28.738 0.169 0.000 1.374 386 Q HN 0.957 nan 8.270 nan 0.000 0.422 387 G N 0.372 109.191 108.800 0.031 0.000 2.333 387 G HA2 -0.045 4.021 3.960 0.175 0.000 0.330 387 G HA3 -0.045 4.021 3.960 0.175 0.000 0.330 387 G C -0.008 175.030 174.900 0.231 0.000 1.465 387 G CA -0.079 44.880 45.100 -0.235 0.000 0.996 387 G HN 0.468 nan 8.290 nan 0.000 0.655 388 T N 0.623 115.350 114.554 0.289 0.000 2.962 388 T HA -0.073 4.383 4.350 0.175 0.000 0.270 388 T C 2.727 177.537 174.700 0.184 0.000 1.088 388 T CA 2.315 64.583 62.100 0.279 0.000 1.127 388 T CB -0.249 68.761 68.868 0.236 0.000 0.883 388 T HN 1.377 nan 8.240 nan 0.000 0.493 389 S N 0.504 116.279 115.700 0.125 0.000 2.515 389 S HA 0.044 4.619 4.470 0.175 0.000 0.231 389 S C 1.744 176.451 174.600 0.178 0.000 0.987 389 S CA 0.433 58.710 58.200 0.128 0.000 0.936 389 S CB -0.340 62.904 63.200 0.074 0.000 0.766 389 S HN 0.196 nan 8.310 nan 0.000 0.528 390 M N 1.248 120.974 119.600 0.210 0.000 2.501 390 M HA 0.477 5.063 4.480 0.175 0.000 0.261 390 M C 2.178 178.679 176.300 0.335 0.000 1.129 390 M CA 0.604 56.075 55.300 0.286 0.000 1.126 390 M CB -0.589 32.201 32.600 0.316 0.000 1.359 390 M HN 0.472 nan 8.290 nan 0.000 0.471 391 A N -0.443 122.545 122.820 0.279 0.000 1.878 391 A HA 0.248 4.673 4.320 0.175 0.000 0.213 391 A C 2.324 180.055 177.584 0.246 0.000 1.192 391 A CA 1.327 53.517 52.037 0.255 0.000 0.619 391 A CB -1.058 18.053 19.000 0.185 0.000 0.837 391 A HN 0.385 nan 8.150 nan 0.000 0.446 392 A N 0.705 123.645 122.820 0.199 0.000 1.917 392 A HA -0.115 4.311 4.320 0.175 0.000 0.219 392 A C 0.281 177.955 177.584 0.151 0.000 1.182 392 A CA 2.006 54.146 52.037 0.171 0.000 0.633 392 A CB -1.698 17.401 19.000 0.165 0.000 0.819 392 A HN 0.489 nan 8.150 nan 0.000 0.448 393 P HA -0.179 nan 4.420 nan 0.000 0.219 393 P C 0.975 178.262 177.300 -0.022 0.000 1.146 393 P CA 1.396 64.518 63.100 0.036 0.000 0.808 393 P CB -0.426 31.270 31.700 -0.008 0.000 0.779 394 H N -0.531 118.557 119.070 0.032 0.000 2.357 394 H HA -0.028 4.635 4.556 0.178 0.000 0.301 394 H C 2.048 177.391 175.328 0.026 0.000 1.082 394 H CA 1.122 57.172 56.048 0.002 0.000 1.342 394 H CB -0.508 29.233 29.762 -0.035 0.000 1.389 394 H HN -0.011 nan 8.280 nan 0.000 0.511 395 V N 0.590 120.607 119.914 0.171 0.000 2.358 395 V HA -0.191 4.035 4.120 0.175 0.000 0.246 395 V C 2.434 178.591 176.094 0.105 0.000 1.047 395 V CA 1.899 64.277 62.300 0.130 0.000 1.035 395 V CB -0.627 31.276 31.823 0.134 0.000 0.658 395 V HN 0.444 nan 8.190 nan 0.000 0.452 396 T N 0.401 115.012 114.554 0.095 0.000 2.759 396 T HA -0.136 4.320 4.350 0.175 0.000 0.269 396 T C 1.885 176.618 174.700 0.055 0.000 1.042 396 T CA 1.584 63.729 62.100 0.076 0.000 1.140 396 T CB -0.575 68.333 68.868 0.067 0.000 0.864 396 T HN 0.628 nan 8.240 nan 0.000 0.455 397 G N 0.792 109.614 108.800 0.037 0.000 2.402 397 G HA2 -0.147 3.918 3.960 0.175 0.000 0.216 397 G HA3 -0.147 3.918 3.960 0.175 0.000 0.216 397 G C 1.699 176.637 174.900 0.064 0.000 1.162 397 G CA 0.704 45.821 45.100 0.029 0.000 0.777 397 G HN 0.430 nan 8.290 nan 0.000 0.539 398 V N 0.558 120.520 119.914 0.080 0.000 2.343 398 V HA -0.172 4.053 4.120 0.175 0.000 0.247 398 V C 3.043 179.192 176.094 0.092 0.000 1.051 398 V CA 1.481 63.837 62.300 0.092 0.000 1.036 398 V CB -0.355 31.524 31.823 0.093 0.000 0.654 398 V HN 0.245 nan 8.190 nan 0.000 0.451 399 V N 0.355 120.320 119.914 0.085 0.000 2.332 399 V HA -0.289 3.936 4.120 0.175 0.000 0.248 399 V C 2.710 178.848 176.094 0.073 0.000 1.055 399 V CA 2.079 64.428 62.300 0.081 0.000 1.038 399 V CB -1.175 30.694 31.823 0.076 0.000 0.651 399 V HN 0.572 nan 8.190 nan 0.000 0.450 400 A N -0.285 122.571 122.820 0.060 0.000 1.908 400 A HA -0.168 4.258 4.320 0.175 0.000 0.218 400 A C 2.389 180.002 177.584 0.049 0.000 1.181 400 A CA 2.144 54.208 52.037 0.044 0.000 0.627 400 A CB -0.668 18.348 19.000 0.027 0.000 0.818 400 A HN 0.354 nan 8.150 nan 0.000 0.445 401 V N 0.128 120.083 119.914 0.069 0.000 2.358 401 V HA -0.242 3.983 4.120 0.175 0.000 0.246 401 V C 2.542 178.681 176.094 0.075 0.000 1.047 401 V CA 1.881 64.228 62.300 0.079 0.000 1.035 401 V CB -0.769 31.129 31.823 0.124 0.000 0.658 401 V HN 0.572 nan 8.190 nan 0.000 0.452 402 L N -0.706 120.587 121.223 0.116 0.000 2.083 402 L HA -0.169 4.276 4.340 0.175 0.000 0.209 402 L C 2.345 179.323 176.870 0.182 0.000 1.083 402 L CA 1.390 56.351 54.840 0.202 0.000 0.752 402 L CB -0.524 41.679 42.059 0.240 0.000 0.899 402 L HN 0.304 nan 8.230 nan 0.000 0.433 403 L N -0.496 120.791 121.223 0.107 0.000 2.275 403 L HA -0.199 4.246 4.340 0.175 0.000 0.215 403 L C 2.650 179.534 176.870 0.025 0.000 1.119 403 L CA 0.859 55.744 54.840 0.075 0.000 0.790 403 L CB -0.367 41.720 42.059 0.046 0.000 0.919 403 L HN 0.411 nan 8.230 nan 0.000 0.443 404 Q N 0.740 120.537 119.800 -0.004 0.000 2.083 404 Q HA -0.240 4.205 4.340 0.175 0.000 0.198 404 Q C 2.233 178.162 176.000 -0.118 0.000 0.969 404 Q CA 1.489 57.266 55.803 -0.044 0.000 0.838 404 Q CB 0.133 28.849 28.738 -0.036 0.000 0.900 404 Q HN 0.338 nan 8.270 nan 0.000 0.436 405 K N -0.761 119.507 120.400 -0.221 0.000 2.167 405 K HA -0.035 4.390 4.320 0.175 0.000 0.203 405 K C -0.333 175.838 176.600 -0.715 0.000 1.052 405 K CA 0.586 56.556 56.287 -0.528 0.000 0.956 405 K CB 0.259 32.278 32.500 -0.801 0.000 0.735 405 K HN 0.112 nan 8.250 nan 0.000 0.451 406 F N 1.419 121.359 119.950 -0.016 0.000 2.449 406 F HA 0.295 4.925 4.527 0.173 0.000 0.329 406 F C -1.811 173.967 175.800 -0.037 0.000 1.245 406 F CA -2.084 55.897 58.000 -0.031 0.000 1.193 406 F CB 1.531 40.504 39.000 -0.044 0.000 1.425 406 F HN -0.014 nan 8.300 nan 0.000 0.544 407 P HA -0.164 nan 4.420 nan 0.000 0.221 407 P C 0.489 177.807 177.300 0.030 0.000 1.145 407 P CA 1.363 64.481 63.100 0.031 0.000 0.795 407 P CB 0.381 32.081 31.700 0.000 0.000 0.775 408 N N -0.237 118.488 118.700 0.042 0.000 2.322 408 N HA 0.144 4.989 4.740 0.175 0.000 0.194 408 N C 0.638 176.136 175.510 -0.019 0.000 1.126 408 N CA -0.025 53.032 53.050 0.012 0.000 0.845 408 N CB -0.150 38.344 38.487 0.012 0.000 0.976 408 N HN 0.128 nan 8.380 nan 0.000 0.475 409 A N 1.005 123.816 122.820 -0.014 0.000 2.498 409 A HA 0.144 4.569 4.320 0.175 0.000 0.239 409 A C 0.547 178.045 177.584 -0.143 0.000 1.068 409 A CA 0.124 52.095 52.037 -0.110 0.000 0.766 409 A CB 0.469 19.413 19.000 -0.092 0.000 1.003 409 A HN 0.111 nan 8.150 nan 0.000 0.497 410 K N 2.610 122.856 120.400 -0.256 0.000 2.087 410 K HA 0.308 4.733 4.320 0.175 0.000 0.255 410 K C -1.932 174.511 176.600 -0.262 0.000 0.988 410 K CA -1.754 54.411 56.287 -0.203 0.000 0.915 410 K CB 0.815 33.213 32.500 -0.170 0.000 1.043 410 K HN 0.308 nan 8.250 nan 0.000 0.457 411 P HA -0.224 nan 4.420 nan 0.000 0.216 411 P C 0.940 178.234 177.300 -0.011 0.000 1.153 411 P CA 1.369 64.321 63.100 -0.245 0.000 0.858 411 P CB -0.029 31.349 31.700 -0.537 0.000 0.789 412 W N 0.107 121.505 121.300 0.163 0.000 2.374 412 W HA -0.124 4.642 4.660 0.177 0.000 0.288 412 W C 1.329 177.902 176.519 0.090 0.000 1.218 412 W CA 0.735 58.198 57.345 0.196 0.000 1.245 412 W CB -1.374 28.242 29.460 0.261 0.000 1.126 412 W HN 0.089 nan 8.180 nan 0.000 0.545 413 Q N 0.470 119.883 119.800 -0.645 0.000 2.119 413 Q HA -0.169 4.276 4.340 0.175 0.000 0.201 413 Q C 2.432 178.266 176.000 -0.277 0.000 0.972 413 Q CA 1.528 56.897 55.803 -0.723 0.000 0.847 413 Q CB -0.118 28.055 28.738 -0.941 0.000 0.903 413 Q HN 0.218 nan 8.270 nan 0.000 0.433 414 I N 0.660 121.119 120.570 -0.184 0.000 2.202 414 I HA -0.253 4.022 4.170 0.175 0.000 0.242 414 I C 2.455 178.572 176.117 0.001 0.000 1.091 414 I CA 1.416 62.668 61.300 -0.081 0.000 1.368 414 I CB -0.903 37.077 38.000 -0.033 0.000 1.058 414 I HN 0.239 nan 8.210 nan 0.000 0.410 415 R N 1.083 121.624 120.500 0.068 0.000 2.073 415 R HA -0.172 4.273 4.340 0.175 0.000 0.234 415 R C 2.236 178.597 176.300 0.103 0.000 1.134 415 R CA 1.315 57.489 56.100 0.125 0.000 0.952 415 R CB 0.051 30.473 30.300 0.202 0.000 0.850 415 R HN 0.112 nan 8.270 nan 0.000 0.433 416 K N 0.733 121.210 120.400 0.128 0.000 2.147 416 K HA -0.142 4.283 4.320 0.175 0.000 0.205 416 K C 1.971 178.569 176.600 -0.004 0.000 1.049 416 K CA 0.695 57.031 56.287 0.082 0.000 0.936 416 K CB -0.501 32.127 32.500 0.214 0.000 0.722 416 K HN 0.201 nan 8.250 nan 0.000 0.446 417 L N 1.238 122.440 121.223 -0.035 0.000 2.046 417 L HA -0.096 4.349 4.340 0.175 0.000 0.208 417 L C 2.012 178.870 176.870 -0.021 0.000 1.077 417 L CA 1.429 56.227 54.840 -0.070 0.000 0.747 417 L CB -0.573 41.400 42.059 -0.144 0.000 0.896 417 L HN 0.052 nan 8.230 nan 0.000 0.432 418 L N -0.767 120.463 121.223 0.012 0.000 2.046 418 L HA -0.221 4.224 4.340 0.175 0.000 0.208 418 L C 2.507 179.405 176.870 0.047 0.000 1.077 418 L CA 1.657 56.526 54.840 0.048 0.000 0.747 418 L CB -0.639 41.468 42.059 0.081 0.000 0.896 418 L HN 0.352 nan 8.230 nan 0.000 0.432 419 E N -0.083 120.118 120.200 0.001 0.000 2.106 419 E HA -0.160 4.296 4.350 0.175 0.000 0.192 419 E C 1.832 178.345 176.600 -0.145 0.000 0.984 419 E CA 0.863 57.202 56.400 -0.101 0.000 0.806 419 E CB -0.061 29.407 29.700 -0.387 0.000 0.750 419 E HN 0.441 nan 8.360 nan 0.000 0.458 420 N N 0.199 118.831 118.700 -0.114 0.000 2.381 420 N HA -0.083 4.762 4.740 0.175 0.000 0.182 420 N C 1.556 177.068 175.510 0.003 0.000 1.025 420 N CA 1.507 54.515 53.050 -0.069 0.000 0.888 420 N CB -0.004 38.451 38.487 -0.054 0.000 0.965 420 N HN 0.254 nan 8.380 nan 0.000 0.438 421 T N -3.314 111.257 114.554 0.028 0.000 3.044 421 T HA 0.510 4.965 4.350 0.175 0.000 0.260 421 T C 0.629 175.394 174.700 0.108 0.000 1.019 421 T CA -0.476 61.663 62.100 0.065 0.000 0.921 421 T CB 0.187 69.088 68.868 0.055 0.000 1.053 421 T HN 0.112 nan 8.240 nan 0.000 0.533 422 A N 1.642 124.534 122.820 0.120 0.000 2.445 422 A HA 0.523 4.948 4.320 0.175 0.000 0.242 422 A C -0.276 177.436 177.584 0.214 0.000 1.075 422 A CA -0.558 51.577 52.037 0.163 0.000 0.777 422 A CB -0.238 18.868 19.000 0.176 0.000 1.013 422 A HN 0.650 nan 8.150 nan 0.000 0.493 423 F N 1.865 121.861 119.950 0.076 0.000 2.445 423 F HA 0.270 4.902 4.527 0.175 0.000 0.359 423 F C 0.344 176.210 175.800 0.108 0.000 1.101 423 F CA -0.651 57.406 58.000 0.095 0.000 1.177 423 F CB 0.632 39.684 39.000 0.086 0.000 1.110 423 F HN 0.612 nan 8.300 nan 0.000 0.522 424 D N 7.185 127.310 120.400 -0.458 0.000 2.517 424 D HA -0.005 4.740 4.640 0.175 0.000 0.220 424 D C 0.817 176.585 176.300 -0.887 0.000 1.158 424 D CA -0.368 53.307 54.000 -0.542 0.000 0.992 424 D CB -0.339 40.304 40.800 -0.263 0.000 1.058 424 D HN 0.470 nan 8.370 nan 0.000 0.516 425 F N 1.519 120.973 119.950 -0.827 0.000 2.293 425 F HA 0.038 4.670 4.527 0.175 0.000 0.300 425 F C 1.504 177.185 175.800 -0.198 0.000 1.086 425 F CA 0.286 57.942 58.000 -0.574 0.000 1.375 425 F CB -0.572 38.393 39.000 -0.059 0.000 1.045 425 F HN 0.105 nan 8.300 nan 0.000 0.516 426 N N 0.530 118.877 118.700 -0.589 0.000 2.354 426 N HA 0.064 4.909 4.740 0.175 0.000 0.179 426 N C 1.986 177.386 175.510 -0.183 0.000 1.021 426 N CA 1.351 54.228 53.050 -0.287 0.000 0.887 426 N CB -0.077 38.166 38.487 -0.407 0.000 0.974 426 N HN 0.576 nan 8.380 nan 0.000 0.437 427 G N 1.180 109.843 108.800 -0.228 0.000 2.199 427 G HA2 -0.322 3.743 3.960 0.175 0.000 0.254 427 G HA3 -0.322 3.743 3.960 0.175 0.000 0.254 427 G C 0.745 175.588 174.900 -0.096 0.000 0.982 427 G CA 0.639 45.665 45.100 -0.124 0.000 0.632 427 G HN 0.564 nan 8.290 nan 0.000 0.529 428 N N 0.780 119.405 118.700 -0.126 0.000 2.412 428 N HA 0.382 5.227 4.740 0.175 0.000 0.184 428 N C 1.939 177.429 175.510 -0.034 0.000 1.101 428 N CA 1.580 54.586 53.050 -0.074 0.000 0.881 428 N CB -0.195 38.238 38.487 -0.091 0.000 0.969 428 N HN 1.698 nan 8.380 nan 0.000 0.459 429 G N -0.563 108.201 108.800 -0.058 0.000 2.640 429 G HA2 -0.310 3.756 3.960 0.175 0.000 0.226 429 G HA3 -0.310 3.756 3.960 0.175 0.000 0.226 429 G C -0.312 174.651 174.900 0.105 0.000 1.222 429 G CA 0.348 45.471 45.100 0.038 0.000 0.729 429 G HN 0.551 nan 8.290 nan 0.000 0.516 430 W N 1.881 123.067 121.300 -0.189 0.000 3.479 430 W HA 0.496 5.260 4.660 0.174 0.000 0.304 430 W C -1.668 174.699 176.519 -0.253 0.000 1.243 430 W CA 0.216 57.354 57.345 -0.345 0.000 1.202 430 W CB 1.148 30.312 29.460 -0.492 0.000 1.346 430 W HN 0.665 nan 8.180 nan 0.000 0.539 431 D N 0.479 120.096 120.400 -1.306 0.000 2.622 431 D HA 0.214 4.960 4.640 0.175 0.000 0.255 431 D C 0.155 175.618 176.300 -1.394 0.000 1.246 431 D CA -0.628 52.697 54.000 -1.125 0.000 0.795 431 D CB 1.134 41.631 40.800 -0.505 0.000 1.369 431 D HN 0.569 nan 8.370 nan 0.000 0.425 432 H N -0.712 117.772 119.070 -0.977 0.000 2.545 432 H HA -0.028 4.634 4.556 0.176 0.000 0.282 432 H C 0.128 175.222 175.328 -0.389 0.000 1.020 432 H CA 0.815 56.501 56.048 -0.604 0.000 1.243 432 H CB 0.441 30.021 29.762 -0.304 0.000 1.377 432 H HN 0.387 nan 8.280 nan 0.000 0.581 433 D N -0.394 119.854 120.400 -0.253 0.000 2.149 433 D HA -0.069 4.676 4.640 0.175 0.000 0.206 433 D C 1.767 177.983 176.300 -0.140 0.000 0.967 433 D CA 1.181 55.088 54.000 -0.155 0.000 0.848 433 D CB 0.017 40.748 40.800 -0.115 0.000 0.998 433 D HN 0.166 nan 8.370 nan 0.000 0.474 434 T N -0.873 113.559 114.554 -0.204 0.000 3.231 434 T HA 0.458 4.914 4.350 0.175 0.000 0.292 434 T C 0.876 175.457 174.700 -0.198 0.000 1.001 434 T CA 0.642 62.679 62.100 -0.104 0.000 0.920 434 T CB -0.282 68.630 68.868 0.074 0.000 1.140 434 T HN 0.265 nan 8.240 nan 0.000 0.525 435 G N 1.580 110.115 108.800 -0.442 0.000 2.583 435 G HA2 -0.345 3.720 3.960 0.175 0.000 0.292 435 G HA3 -0.345 3.720 3.960 0.175 0.000 0.292 435 G C 0.238 174.824 174.900 -0.522 0.000 1.203 435 G CA 0.768 45.555 45.100 -0.522 0.000 0.987 435 G HN 0.489 nan 8.290 nan 0.000 0.554 436 Y N 2.742 123.088 120.300 0.076 0.000 2.529 436 Y HA 0.409 5.064 4.550 0.175 0.000 0.290 436 Y C 1.902 177.777 175.900 -0.042 0.000 1.177 436 Y CA 1.622 59.779 58.100 0.096 0.000 1.305 436 Y CB -0.128 38.437 38.460 0.175 0.000 1.047 436 Y HN 1.588 nan 8.280 nan 0.000 0.522 437 G N -0.013 108.796 108.800 0.015 0.000 2.318 437 G HA2 -0.085 3.980 3.960 0.175 0.000 0.367 437 G HA3 -0.085 3.980 3.960 0.175 0.000 0.367 437 G C -1.673 173.347 174.900 0.201 0.000 1.260 437 G CA -0.904 44.195 45.100 -0.002 0.000 1.055 437 G HN 0.048 nan 8.290 nan 0.000 0.484 438 L N 0.746 122.141 121.223 0.286 0.000 2.410 438 L HA 0.643 5.088 4.340 0.175 0.000 0.273 438 L C 1.064 177.992 176.870 0.096 0.000 1.144 438 L CA -0.149 54.762 54.840 0.119 0.000 0.863 438 L CB 1.122 43.124 42.059 -0.096 0.000 1.140 438 L HN 1.227 nan 8.230 nan 0.000 0.463 439 V N 6.584 126.532 119.914 0.056 0.000 2.673 439 V HA 0.185 4.410 4.120 0.175 0.000 0.303 439 V C -0.024 176.095 176.094 0.040 0.000 1.046 439 V CA -0.043 62.297 62.300 0.067 0.000 1.126 439 V CB 0.262 32.125 31.823 0.067 0.000 0.934 439 V HN 0.786 nan 8.190 nan 0.000 0.487 440 K N 6.853 127.290 120.400 0.062 0.000 2.559 440 K HA 0.293 4.718 4.320 0.175 0.000 0.249 440 K C 0.489 177.118 176.600 0.049 0.000 0.958 440 K CA -0.430 55.884 56.287 0.046 0.000 0.901 440 K CB 1.695 34.235 32.500 0.067 0.000 1.124 440 K HN 0.729 nan 8.250 nan 0.000 0.437 441 L N 2.202 123.446 121.223 0.036 0.000 2.046 441 L HA -0.225 4.220 4.340 0.175 0.000 0.208 441 L C 1.539 178.435 176.870 0.044 0.000 1.077 441 L CA 2.036 56.904 54.840 0.047 0.000 0.747 441 L CB 0.117 42.196 42.059 0.034 0.000 0.896 441 L HN 0.637 nan 8.230 nan 0.000 0.432 442 D N 0.023 120.435 120.400 0.020 0.000 2.097 442 D HA -0.206 4.539 4.640 0.175 0.000 0.195 442 D C 1.946 178.271 176.300 0.042 0.000 0.989 442 D CA 1.454 55.465 54.000 0.019 0.000 0.827 442 D CB -0.417 40.381 40.800 -0.003 0.000 0.966 442 D HN 0.306 nan 8.370 nan 0.000 0.456 443 A N 1.031 123.880 122.820 0.047 0.000 1.930 443 A HA 0.190 4.615 4.320 0.175 0.000 0.217 443 A C 2.446 180.072 177.584 0.070 0.000 1.175 443 A CA 2.282 54.354 52.037 0.058 0.000 0.627 443 A CB -0.930 18.109 19.000 0.065 0.000 0.815 443 A HN 0.373 nan 8.150 nan 0.000 0.443 444 A N -0.562 122.303 122.820 0.075 0.000 1.902 444 A HA -0.034 4.391 4.320 0.175 0.000 0.217 444 A C 2.072 179.747 177.584 0.150 0.000 1.181 444 A CA 1.669 53.756 52.037 0.083 0.000 0.623 444 A CB -0.582 18.468 19.000 0.082 0.000 0.818 444 A HN 0.589 nan 8.150 nan 0.000 0.443 445 L N -0.026 121.294 121.223 0.162 0.000 2.191 445 L HA -0.167 4.278 4.340 0.175 0.000 0.212 445 L C 2.405 179.416 176.870 0.235 0.000 1.103 445 L CA 1.868 56.840 54.840 0.219 0.000 0.769 445 L CB -0.569 41.558 42.059 0.112 0.000 0.908 445 L HN 0.488 nan 8.230 nan 0.000 0.438 446 Q N -0.426 119.469 119.800 0.158 0.000 2.170 446 Q HA 0.039 4.485 4.340 0.175 0.000 0.203 446 Q C 1.391 177.504 176.000 0.188 0.000 0.976 446 Q CA 0.683 56.568 55.803 0.136 0.000 0.858 446 Q CB -0.281 28.507 28.738 0.084 0.000 0.907 446 Q HN 0.681 nan 8.270 nan 0.000 0.433 447 G N 1.436 110.340 108.800 0.174 0.000 2.564 447 G HA2 -0.275 3.791 3.960 0.175 0.000 0.273 447 G HA3 -0.275 3.791 3.960 0.175 0.000 0.273 447 G C -2.025 172.895 174.900 0.033 0.000 1.242 447 G CA -0.103 45.040 45.100 0.071 0.000 0.951 447 G HN 0.296 nan 8.290 nan 0.000 0.564 448 P HA 0.503 nan 4.420 nan 0.000 0.277 448 P C -0.177 176.967 177.300 -0.261 0.000 1.276 448 P CA -0.695 62.386 63.100 -0.032 0.000 0.788 448 P CB 0.601 32.309 31.700 0.014 0.000 1.114 449 L N 2.325 123.269 121.223 -0.466 0.000 2.410 449 L HA 0.237 4.682 4.340 0.175 0.000 0.273 449 L C -1.975 174.729 176.870 -0.277 0.000 1.144 449 L CA -1.629 52.869 54.840 -0.569 0.000 0.863 449 L CB -0.567 41.114 42.059 -0.630 0.000 1.140 449 L HN 0.276 nan 8.230 nan 0.000 0.463 450 P HA 0.069 nan 4.420 nan 0.000 0.268 450 P C -0.001 177.278 177.300 -0.035 0.000 1.205 450 P CA -0.065 62.992 63.100 -0.072 0.000 0.771 450 P CB 0.474 32.185 31.700 0.017 0.000 0.858 451 T N -1.201 113.404 114.554 0.086 0.000 3.040 451 T HA 0.156 4.612 4.350 0.175 0.000 0.250 451 T C 0.594 175.502 174.700 0.347 0.000 1.058 451 T CA 0.181 62.379 62.100 0.162 0.000 0.988 451 T CB 0.195 69.114 68.868 0.086 0.000 0.993 451 T HN 0.445 nan 8.240 nan 0.000 0.519 452 Q N -0.991 119.008 119.800 0.332 0.000 2.553 452 Q HA 0.573 5.018 4.340 0.175 0.000 0.293 452 Q C 0.210 176.310 176.000 0.167 0.000 1.038 452 Q CA -0.578 55.343 55.803 0.197 0.000 0.777 452 Q CB 2.098 30.874 28.738 0.063 0.000 1.487 452 Q HN 0.271 nan 8.270 nan 0.000 0.426 453 G N -0.629 108.116 108.800 -0.093 0.000 2.255 453 G HA2 -0.043 4.023 3.960 0.175 0.000 0.196 453 G HA3 -0.043 4.023 3.960 0.175 0.000 0.196 453 G C 0.035 174.759 174.900 -0.295 0.000 0.998 453 G CA -0.283 44.763 45.100 -0.091 0.000 0.656 453 G HN 0.929 nan 8.290 nan 0.000 0.490 454 G N -1.375 106.859 108.800 -0.943 0.000 2.682 454 G HA2 0.845 4.911 3.960 0.175 0.000 0.290 454 G HA3 0.845 4.911 3.960 0.175 0.000 0.290 454 G C -0.972 173.016 174.900 -1.519 0.000 1.425 454 G CA 0.404 44.814 45.100 -1.150 0.000 0.807 454 G HN 1.621 nan 8.290 nan 0.000 0.482 455 V N -2.309 116.996 119.914 -1.014 0.000 2.876 455 V HA 0.615 4.840 4.120 0.175 0.000 0.312 455 V C 0.775 176.570 176.094 -0.498 0.000 1.085 455 V CA -0.667 61.236 62.300 -0.662 0.000 0.945 455 V CB 1.898 33.535 31.823 -0.310 0.000 1.017 455 V HN 0.846 nan 8.190 nan 0.000 0.428 456 E N 1.302 121.341 120.200 -0.269 0.000 2.110 456 E HA -0.064 4.391 4.350 0.175 0.000 0.193 456 E C 0.512 176.879 176.600 -0.389 0.000 0.988 456 E CA 1.859 58.065 56.400 -0.323 0.000 0.804 456 E CB 0.329 29.990 29.700 -0.066 0.000 0.745 456 E HN 0.855 nan 8.360 nan 0.000 0.458 457 E N -0.854 119.239 120.200 -0.178 0.000 2.381 457 E HA 0.259 4.714 4.350 0.175 0.000 0.286 457 E C -1.949 174.672 176.600 0.035 0.000 0.960 457 E CA -0.490 55.863 56.400 -0.078 0.000 0.793 457 E CB 1.036 30.693 29.700 -0.071 0.000 1.225 457 E HN -0.065 nan 8.360 nan 0.000 0.420 458 F N 3.184 123.090 119.950 -0.072 0.000 2.520 458 F HA 0.526 5.158 4.527 0.174 0.000 0.322 458 F C -1.138 174.684 175.800 0.037 0.000 1.103 458 F CA -0.211 57.752 58.000 -0.062 0.000 0.926 458 F CB 1.702 40.612 39.000 -0.151 0.000 1.154 458 F HN 0.452 nan 8.300 nan 0.000 0.453 459 Q N 4.010 123.308 119.800 -0.837 0.000 2.394 459 Q HA 0.682 5.128 4.340 0.175 0.000 0.273 459 Q C -1.666 173.822 176.000 -0.853 0.000 1.089 459 Q CA -1.312 54.142 55.803 -0.582 0.000 0.812 459 Q CB 3.205 31.751 28.738 -0.320 0.000 1.353 459 Q HN 0.493 nan 8.270 nan 0.000 0.438 460 V N 2.142 121.778 119.914 -0.463 0.000 2.409 460 V HA 0.372 4.597 4.120 0.175 0.000 0.291 460 V C -0.653 175.275 176.094 -0.278 0.000 1.020 460 V CA -0.679 61.371 62.300 -0.415 0.000 0.848 460 V CB 1.778 33.454 31.823 -0.245 0.000 0.990 460 V HN 0.510 nan 8.190 nan 0.000 0.430 461 V N 5.977 125.721 119.914 -0.283 0.000 2.357 461 V HA 0.451 4.677 4.120 0.175 0.000 0.284 461 V C -0.151 175.803 176.094 -0.233 0.000 1.018 461 V CA -0.595 61.576 62.300 -0.216 0.000 0.841 461 V CB 1.696 33.411 31.823 -0.179 0.000 0.991 461 V HN 0.592 nan 8.190 nan 0.000 0.437 462 V N 4.965 124.727 119.914 -0.253 0.000 2.398 462 V HA 0.725 4.950 4.120 0.175 0.000 0.286 462 V C 0.458 176.385 176.094 -0.278 0.000 1.026 462 V CA -0.147 61.928 62.300 -0.375 0.000 0.868 462 V CB 1.640 33.123 31.823 -0.566 0.000 0.982 462 V HN 1.042 nan 8.190 nan 0.000 0.443 463 T N 0.123 114.545 114.554 -0.220 0.000 2.831 463 T HA 0.598 5.053 4.350 0.175 0.000 0.287 463 T C -0.625 174.120 174.700 0.074 0.000 1.070 463 T CA -0.883 61.203 62.100 -0.022 0.000 1.010 463 T CB 1.847 70.731 68.868 0.027 0.000 1.264 463 T HN 0.612 nan 8.240 nan 0.000 0.532 464 D N 0.139 120.719 120.400 0.299 0.000 2.414 464 D HA 0.453 5.199 4.640 0.175 0.000 0.259 464 D C 1.795 178.271 176.300 0.293 0.000 1.269 464 D CA -0.142 54.128 54.000 0.450 0.000 1.028 464 D CB -0.184 40.964 40.800 0.580 0.000 1.093 464 D HN 0.716 nan 8.370 nan 0.000 0.545 465 A N -0.175 122.832 122.820 0.311 0.000 1.892 465 A HA -0.220 4.205 4.320 0.175 0.000 0.218 465 A C 1.825 179.501 177.584 0.154 0.000 1.188 465 A CA 1.536 53.703 52.037 0.216 0.000 0.631 465 A CB -0.597 18.528 19.000 0.208 0.000 0.822 465 A HN 0.444 nan 8.150 nan 0.000 0.447 466 K N -1.215 119.276 120.400 0.152 0.000 2.444 466 K HA 0.154 4.579 4.320 0.175 0.000 0.193 466 K C 1.042 177.689 176.600 0.079 0.000 1.024 466 K CA 0.691 57.041 56.287 0.104 0.000 1.077 466 K CB -0.348 32.211 32.500 0.097 0.000 0.833 466 K HN 0.831 nan 8.250 nan 0.000 0.517 467 G N 2.440 111.298 108.800 0.097 0.000 2.221 467 G HA2 -0.273 3.792 3.960 0.175 0.000 0.265 467 G HA3 -0.273 3.792 3.960 0.175 0.000 0.265 467 G C 0.618 175.525 174.900 0.012 0.000 1.041 467 G CA 0.502 45.635 45.100 0.054 0.000 0.807 467 G HN 0.290 nan 8.290 nan 0.000 0.502 468 N N -0.875 117.844 118.700 0.033 0.000 2.368 468 N HA 0.167 5.012 4.740 0.175 0.000 0.176 468 N C 0.321 175.606 175.510 -0.375 0.000 1.021 468 N CA 0.855 53.809 53.050 -0.159 0.000 0.888 468 N CB 0.153 38.576 38.487 -0.108 0.000 0.995 468 N HN 0.432 nan 8.380 nan 0.000 0.437 469 F N 0.022 120.041 119.950 0.115 0.000 2.540 469 F HA 0.510 5.142 4.527 0.175 0.000 0.317 469 F C 0.909 176.825 175.800 0.193 0.000 1.104 469 F CA -1.220 56.872 58.000 0.154 0.000 0.913 469 F CB 1.710 40.823 39.000 0.189 0.000 1.170 469 F HN -0.205 nan 8.300 nan 0.000 0.450 470 G N 1.299 110.279 108.800 0.300 0.000 2.467 470 G HA2 0.467 4.532 3.960 0.175 0.000 0.257 470 G HA3 0.467 4.532 3.960 0.175 0.000 0.257 470 G C -1.051 173.958 174.900 0.183 0.000 1.227 470 G CA -0.431 44.764 45.100 0.158 0.000 0.835 470 G HN 0.461 nan 8.290 nan 0.000 0.556 471 V N 4.785 124.697 119.914 -0.003 0.000 2.350 471 V HA 0.325 4.550 4.120 0.175 0.000 0.276 471 V C -1.710 174.322 176.094 -0.104 0.000 1.028 471 V CA -1.436 60.785 62.300 -0.130 0.000 0.860 471 V CB 1.495 33.189 31.823 -0.215 0.000 0.990 471 V HN 0.673 nan 8.190 nan 0.000 0.453 472 P HA 0.237 nan 4.420 nan 0.000 0.281 472 P C 0.425 177.697 177.300 -0.046 0.000 1.249 472 P CA 0.354 63.431 63.100 -0.038 0.000 0.810 472 P CB 1.289 32.985 31.700 -0.006 0.000 1.008 473 T N -2.394 112.123 114.554 -0.063 0.000 4.458 473 T HA -0.121 4.335 4.350 0.175 0.000 0.317 473 T C -0.116 174.345 174.700 -0.398 0.000 0.916 473 T CA 0.417 62.437 62.100 -0.134 0.000 2.068 473 T CB -2.811 66.056 68.868 -0.001 0.000 1.908 473 T HN 0.198 nan 8.240 nan 0.000 0.934 474 V N 2.044 121.768 119.914 -0.317 0.000 2.498 474 V HA 0.610 4.836 4.120 0.175 0.000 0.279 474 V C 0.795 176.671 176.094 -0.362 0.000 1.048 474 V CA -0.754 61.343 62.300 -0.339 0.000 0.967 474 V CB 0.280 32.012 31.823 -0.152 0.000 0.988 474 V HN 0.452 nan 8.190 nan 0.000 0.473 475 F N 4.098 124.069 119.950 0.035 0.000 2.412 475 F HA 0.561 5.193 4.527 0.175 0.000 0.348 475 F C 0.211 175.998 175.800 -0.021 0.000 1.102 475 F CA -0.771 57.193 58.000 -0.060 0.000 1.196 475 F CB 0.524 39.598 39.000 0.123 0.000 1.144 475 F HN 0.098 nan 8.300 nan 0.000 0.541 476 V N 2.092 122.025 119.914 0.031 0.000 2.443 476 V HA 0.392 4.618 4.120 0.175 0.000 0.293 476 V C -0.556 175.673 176.094 0.224 0.000 1.021 476 V CA -0.593 61.803 62.300 0.160 0.000 0.848 476 V CB 1.632 33.569 31.823 0.189 0.000 0.998 476 V HN 0.839 nan 8.190 nan 0.000 0.424 477 S N 6.385 122.279 115.700 0.323 0.000 2.498 477 S HA 0.703 5.278 4.470 0.175 0.000 0.317 477 S C -0.495 174.299 174.600 0.325 0.000 1.090 477 S CA -0.629 57.810 58.200 0.399 0.000 1.089 477 S CB 0.682 64.146 63.200 0.440 0.000 0.997 477 S HN 0.656 nan 8.310 nan 0.000 0.470 478 M N 5.946 125.689 119.600 0.239 0.000 2.047 478 M HA 0.415 5.000 4.480 0.175 0.000 0.342 478 M C -0.601 175.884 176.300 0.308 0.000 1.058 478 M CA 0.014 55.393 55.300 0.131 0.000 0.991 478 M CB 1.088 33.542 32.600 -0.244 0.000 1.474 478 M HN 0.423 nan 8.290 nan 0.000 0.419 479 M N 3.601 123.425 119.600 0.374 0.000 2.644 479 M HA 0.754 5.340 4.480 0.175 0.000 0.316 479 M C -0.395 176.057 176.300 0.253 0.000 1.200 479 M CA -0.743 54.748 55.300 0.318 0.000 0.944 479 M CB 2.419 35.231 32.600 0.354 0.000 1.691 479 M HN 0.619 nan 8.290 nan 0.000 0.471 480 R N -0.899 119.673 120.500 0.119 0.000 2.690 480 R HA 0.380 4.826 4.340 0.175 0.000 0.269 480 R C -1.120 175.167 176.300 -0.020 0.000 1.037 480 R CA -0.924 55.175 56.100 -0.002 0.000 0.877 480 R CB 0.660 30.851 30.300 -0.182 0.000 1.255 480 R HN 0.443 nan 8.270 nan 0.000 0.467 481 D N 0.451 120.831 120.400 -0.035 0.000 2.149 481 D HA -0.128 4.617 4.640 0.175 0.000 0.198 481 D C -0.004 176.275 176.300 -0.034 0.000 0.990 481 D CA 1.963 55.959 54.000 -0.008 0.000 0.839 481 D CB -0.005 40.787 40.800 -0.013 0.000 0.948 481 D HN 0.620 nan 8.370 nan 0.000 0.460 482 N N -1.806 116.771 118.700 -0.204 0.000 2.455 482 N HA 0.480 5.325 4.740 0.175 0.000 0.278 482 N C 0.070 175.044 175.510 -0.894 0.000 1.291 482 N CA -0.581 52.178 53.050 -0.485 0.000 0.780 482 N CB 2.670 40.966 38.487 -0.318 0.000 1.520 482 N HN 0.095 nan 8.380 nan 0.000 0.486 483 G N -0.001 107.604 108.800 -1.991 0.000 2.756 483 G HA2 -0.143 3.923 3.960 0.175 0.000 0.678 483 G HA3 -0.143 3.923 3.960 0.175 0.000 0.678 483 G C -0.663 173.737 174.900 -0.832 0.000 1.349 483 G CA -0.335 43.898 45.100 -1.444 0.000 0.847 483 G HN 0.804 nan 8.290 nan 0.000 0.548 484 S N -1.111 114.375 115.700 -0.357 0.000 2.549 484 S HA 0.493 5.068 4.470 0.175 0.000 0.279 484 S C 0.891 175.223 174.600 -0.445 0.000 1.321 484 S CA 0.280 58.320 58.200 -0.267 0.000 1.054 484 S CB -0.248 62.818 63.200 -0.224 0.000 0.899 484 S HN 1.125 nan 8.310 nan 0.000 0.497 485 C N 4.164 123.270 119.300 -0.322 0.000 2.335 485 C HA 0.662 5.227 4.460 0.175 0.000 0.363 485 C C -0.594 174.195 174.990 -0.336 0.000 1.198 485 C CA -0.620 58.285 59.018 -0.189 0.000 2.279 485 C CB -0.206 27.548 27.740 0.023 0.000 2.334 485 C HN 0.908 nan 8.230 nan 0.000 0.559 486 Y N -0.717 119.732 120.300 0.248 0.000 2.576 486 Y HA 0.610 5.265 4.550 0.175 0.000 0.346 486 Y C -0.514 175.687 175.900 0.501 0.000 1.018 486 Y CA -0.791 57.518 58.100 0.349 0.000 1.050 486 Y CB 1.544 40.202 38.460 0.329 0.000 1.280 486 Y HN 0.690 nan 8.280 nan 0.000 0.474 487 Y N 0.873 121.547 120.300 0.623 0.000 2.513 487 Y HA 0.825 5.479 4.550 0.174 0.000 0.340 487 Y C -1.540 174.604 175.900 0.407 0.000 1.055 487 Y CA -0.903 57.497 58.100 0.500 0.000 1.020 487 Y CB 1.664 40.321 38.460 0.328 0.000 1.301 487 Y HN 0.800 nan 8.280 nan 0.000 0.453 488 A N 4.582 127.181 122.820 -0.369 0.000 2.608 488 A HA 0.710 5.135 4.320 0.175 0.000 0.292 488 A C -1.997 175.216 177.584 -0.619 0.000 1.066 488 A CA -1.183 50.614 52.037 -0.399 0.000 0.676 488 A CB 1.661 20.269 19.000 -0.653 0.000 1.277 488 A HN 0.634 nan 8.150 nan 0.000 0.413 489 K N 1.059 121.131 120.400 -0.547 0.000 2.207 489 K HA 0.603 5.028 4.320 0.175 0.000 0.255 489 K C -0.051 176.420 176.600 -0.214 0.000 0.941 489 K CA -0.453 55.542 56.287 -0.486 0.000 0.825 489 K CB 1.827 33.895 32.500 -0.720 0.000 1.119 489 K HN 0.862 nan 8.250 nan 0.000 0.430 490 T N -0.645 113.814 114.554 -0.158 0.000 2.930 490 T HA 0.250 4.705 4.350 0.175 0.000 0.306 490 T C 0.760 175.484 174.700 0.041 0.000 1.045 490 T CA -0.772 61.281 62.100 -0.079 0.000 1.134 490 T CB 1.045 69.840 68.868 -0.122 0.000 0.961 490 T HN 0.619 nan 8.240 nan 0.000 0.545 491 G N 1.883 110.718 108.800 0.059 0.000 2.510 491 G HA2 0.495 4.560 3.960 0.175 0.000 0.280 491 G HA3 0.495 4.560 3.960 0.175 0.000 0.280 491 G C -1.231 173.650 174.900 -0.031 0.000 1.386 491 G CA -1.472 43.657 45.100 0.050 0.000 1.047 491 G HN 0.573 nan 8.290 nan 0.000 0.527 492 P HA -0.075 nan 4.420 nan 0.000 0.219 492 P C 0.280 177.593 177.300 0.022 0.000 1.146 492 P CA 1.148 64.232 63.100 -0.026 0.000 0.808 492 P CB 0.275 31.949 31.700 -0.044 0.000 0.779 493 D N -1.129 119.275 120.400 0.008 0.000 2.342 493 D HA 0.183 4.928 4.640 0.175 0.000 0.221 493 D C 1.516 177.813 176.300 -0.005 0.000 1.101 493 D CA 0.517 54.526 54.000 0.014 0.000 0.837 493 D CB -0.235 40.561 40.800 -0.007 0.000 0.938 493 D HN 0.186 nan 8.370 nan 0.000 0.508 494 G N 1.270 110.058 108.800 -0.021 0.000 2.162 494 G HA2 -0.300 3.766 3.960 0.175 0.000 0.260 494 G HA3 -0.300 3.766 3.960 0.175 0.000 0.260 494 G C 0.313 175.151 174.900 -0.103 0.000 0.976 494 G CA -0.114 44.944 45.100 -0.069 0.000 0.655 494 G HN 0.387 nan 8.290 nan 0.000 0.533 495 I N 1.101 121.621 120.570 -0.083 0.000 2.359 495 I HA 0.615 4.891 4.170 0.175 0.000 0.294 495 I C 0.563 176.614 176.117 -0.110 0.000 0.987 495 I CA -0.431 60.805 61.300 -0.107 0.000 1.225 495 I CB 1.886 39.828 38.000 -0.096 0.000 1.366 495 I HN 0.238 nan 8.210 nan 0.000 0.466 496 A N 7.208 129.945 122.820 -0.139 0.000 2.287 496 A HA 0.690 5.115 4.320 0.175 0.000 0.317 496 A C -0.382 177.055 177.584 -0.245 0.000 1.220 496 A CA -0.689 51.231 52.037 -0.195 0.000 0.835 496 A CB 0.555 19.483 19.000 -0.120 0.000 1.180 496 A HN 0.746 nan 8.150 nan 0.000 0.500 497 R N 1.280 121.568 120.500 -0.354 0.000 2.407 497 R HA 0.564 5.009 4.340 0.175 0.000 0.303 497 R C -1.709 174.303 176.300 -0.480 0.000 0.981 497 R CA -0.208 55.728 56.100 -0.273 0.000 0.905 497 R CB 1.303 31.503 30.300 -0.166 0.000 1.099 497 R HN 0.590 nan 8.270 nan 0.000 0.459 498 F N 3.781 123.683 119.950 -0.079 0.000 2.443 498 F HA 0.304 4.937 4.527 0.176 0.000 0.369 498 F C -1.982 173.771 175.800 -0.079 0.000 1.090 498 F CA -2.413 55.547 58.000 -0.066 0.000 1.129 498 F CB 1.511 40.476 39.000 -0.058 0.000 1.367 498 F HN 0.253 nan 8.300 nan 0.000 0.465 499 P HA 0.111 nan 4.420 nan 0.000 0.284 499 P C -0.199 177.171 177.300 0.117 0.000 1.253 499 P CA 0.095 63.226 63.100 0.053 0.000 0.800 499 P CB 0.689 32.486 31.700 0.162 0.000 0.961 500 H N 0.240 119.374 119.070 0.106 0.000 2.713 500 H HA -0.174 4.490 4.556 0.179 0.000 0.311 500 H C 0.631 176.017 175.328 0.096 0.000 1.175 500 H CA 0.656 56.806 56.048 0.172 0.000 1.143 500 H CB -1.716 28.204 29.762 0.264 0.000 1.434 500 H HN 0.504 nan 8.280 nan 0.000 0.418 501 I N -2.443 118.098 120.570 -0.048 0.000 2.934 501 I HA 0.390 4.666 4.170 0.175 0.000 0.315 501 I C 0.619 176.692 176.117 -0.072 0.000 0.997 501 I CA -0.839 60.352 61.300 -0.182 0.000 1.184 501 I CB 0.997 38.557 38.000 -0.734 0.000 1.400 501 I HN -0.278 nan 8.210 nan 0.000 0.549 502 D N 2.513 122.993 120.400 0.134 0.000 2.423 502 D HA 0.162 4.908 4.640 0.175 0.000 0.238 502 D C 0.067 176.380 176.300 0.022 0.000 1.142 502 D CA 0.238 54.301 54.000 0.106 0.000 0.884 502 D CB 1.089 42.025 40.800 0.227 0.000 1.199 502 D HN 0.729 nan 8.370 nan 0.000 0.438 503 S N 0.070 115.697 115.700 -0.121 0.000 2.652 503 S HA 0.800 5.375 4.470 0.175 0.000 0.270 503 S C 0.550 175.106 174.600 -0.073 0.000 1.243 503 S CA -0.021 58.102 58.200 -0.130 0.000 0.999 503 S CB 1.765 64.831 63.200 -0.222 0.000 0.973 503 S HN 0.775 nan 8.310 nan 0.000 0.544 504 G N 0.008 108.759 108.800 -0.081 0.000 2.325 504 G HA2 0.278 4.343 3.960 0.175 0.000 0.285 504 G HA3 0.278 4.343 3.960 0.175 0.000 0.285 504 G C -1.027 173.760 174.900 -0.188 0.000 1.303 504 G CA -0.619 44.374 45.100 -0.177 0.000 0.970 504 G HN 0.914 nan 8.290 nan 0.000 0.490 505 T N 0.898 115.273 114.554 -0.299 0.000 2.799 505 T HA 0.685 5.140 4.350 0.175 0.000 0.286 505 T C -1.076 173.423 174.700 -0.335 0.000 0.973 505 T CA 0.274 62.252 62.100 -0.202 0.000 1.035 505 T CB 0.790 69.568 68.868 -0.150 0.000 0.932 505 T HN 0.452 nan 8.240 nan 0.000 0.469 506 Y N 0.345 120.629 120.300 -0.028 0.000 2.576 506 Y HA 0.445 5.101 4.550 0.175 0.000 0.346 506 Y C -0.232 175.687 175.900 0.031 0.000 1.018 506 Y CA -1.465 56.634 58.100 -0.002 0.000 1.050 506 Y CB 1.520 39.961 38.460 -0.031 0.000 1.280 506 Y HN 0.456 nan 8.280 nan 0.000 0.474 507 D N 2.239 122.772 120.400 0.222 0.000 2.349 507 D HA 0.433 5.178 4.640 0.175 0.000 0.232 507 D C -0.746 175.543 176.300 -0.019 0.000 1.071 507 D CA 0.009 54.042 54.000 0.055 0.000 0.832 507 D CB 1.155 42.044 40.800 0.148 0.000 1.086 507 D HN 0.360 nan 8.370 nan 0.000 0.504 508 I N 2.864 123.331 120.570 -0.172 0.000 2.339 508 I HA 0.328 4.604 4.170 0.175 0.000 0.290 508 I C -0.526 175.445 176.117 -0.244 0.000 0.994 508 I CA -0.733 60.509 61.300 -0.097 0.000 1.191 508 I CB 0.752 38.697 38.000 -0.091 0.000 1.343 508 I HN 0.066 nan 8.210 nan 0.000 0.458 509 F N 5.558 125.624 119.950 0.193 0.000 2.458 509 F HA 0.577 5.209 4.527 0.175 0.000 0.336 509 F C -0.067 175.868 175.800 0.226 0.000 1.114 509 F CA -0.916 57.203 58.000 0.199 0.000 0.987 509 F CB 1.781 40.876 39.000 0.158 0.000 1.130 509 F HN -0.008 nan 8.300 nan 0.000 0.458 510 V N 1.987 122.144 119.914 0.404 0.000 2.540 510 V HA 0.828 5.054 4.120 0.175 0.000 0.302 510 V C 0.003 176.370 176.094 0.455 0.000 1.035 510 V CA -0.807 61.720 62.300 0.378 0.000 0.873 510 V CB 1.719 33.738 31.823 0.326 0.000 0.992 510 V HN 0.915 nan 8.190 nan 0.000 0.428 511 G N 2.360 111.486 108.800 0.543 0.000 2.544 511 G HA2 0.602 4.667 3.960 0.175 0.000 0.313 511 G HA3 0.602 4.667 3.960 0.175 0.000 0.313 511 G C 0.287 175.571 174.900 0.639 0.000 1.316 511 G CA -0.070 45.397 45.100 0.612 0.000 0.944 511 G HN 1.083 nan 8.290 nan 0.000 0.489 512 G N 2.264 111.320 108.800 0.427 0.000 3.483 512 G HA2 0.199 4.264 3.960 0.175 0.000 0.255 512 G HA3 0.199 4.264 3.960 0.175 0.000 0.255 512 G C -2.119 172.968 174.900 0.312 0.000 1.284 512 G CA -0.399 44.887 45.100 0.311 0.000 0.913 512 G HN 0.545 nan 8.290 nan 0.000 0.633 513 P HA 0.040 nan 4.420 nan 0.000 0.266 513 P C -0.264 177.196 177.300 0.266 0.000 1.193 513 P CA 0.019 63.232 63.100 0.187 0.000 0.770 513 P CB 0.518 32.385 31.700 0.277 0.000 0.836 514 D N 2.091 122.547 120.400 0.094 0.000 2.339 514 D HA -0.015 4.731 4.640 0.175 0.000 0.256 514 D C 0.089 176.639 176.300 0.417 0.000 1.214 514 D CA -0.034 54.146 54.000 0.301 0.000 0.877 514 D CB 0.076 41.006 40.800 0.218 0.000 1.111 514 D HN 0.397 nan 8.370 nan 0.000 0.478 515 H N 5.029 124.319 119.070 0.367 0.000 2.588 515 H HA 0.097 4.759 4.556 0.176 0.000 0.223 515 H C 0.636 176.098 175.328 0.224 0.000 1.804 515 H CA -0.750 55.415 56.048 0.195 0.000 1.269 515 H CB -0.813 29.033 29.762 0.141 0.000 1.670 515 H HN 0.632 nan 8.280 nan 0.000 0.539 516 W N 1.238 122.653 121.300 0.192 0.000 2.905 516 W HA 0.086 4.852 4.660 0.177 0.000 0.251 516 W C -0.581 176.062 176.519 0.207 0.000 1.305 516 W CA -0.307 57.151 57.345 0.189 0.000 1.465 516 W CB -0.091 29.513 29.460 0.239 0.000 1.122 516 W HN 0.202 nan 8.180 nan 0.000 0.659 517 D N 2.785 122.913 120.400 -0.455 0.000 2.608 517 D HA 0.197 4.942 4.640 0.175 0.000 0.224 517 D C 1.075 177.280 176.300 -0.158 0.000 1.123 517 D CA 0.185 53.899 54.000 -0.476 0.000 1.030 517 D CB 0.049 40.421 40.800 -0.714 0.000 1.093 517 D HN 0.111 nan 8.370 nan 0.000 0.497 518 R N 0.902 121.411 120.500 0.015 0.000 2.905 518 R HA 0.527 4.972 4.340 0.175 0.000 0.273 518 R C 0.767 177.069 176.300 0.003 0.000 1.033 518 R CA 0.472 56.603 56.100 0.052 0.000 1.182 518 R CB -0.090 30.276 30.300 0.109 0.000 1.097 518 R HN 0.454 nan 8.270 nan 0.000 0.504 519 A N -0.760 122.083 122.820 0.039 0.000 2.674 519 A HA 0.595 5.020 4.320 0.175 0.000 0.286 519 A C -0.087 177.547 177.584 0.083 0.000 0.980 519 A CA 0.558 52.623 52.037 0.047 0.000 1.028 519 A CB -0.668 18.403 19.000 0.119 0.000 1.199 519 A HN 2.205 nan 8.150 nan 0.000 0.499 520 L N -0.778 120.486 121.223 0.069 0.000 2.505 520 L HA 0.924 5.369 4.340 0.175 0.000 0.266 520 L C 0.299 177.206 176.870 0.061 0.000 0.954 520 L CA -0.458 54.422 54.840 0.067 0.000 0.852 520 L CB 0.215 42.313 42.059 0.065 0.000 1.282 520 L HN 1.248 nan 8.230 nan 0.000 0.403 521 A N 3.673 126.525 122.820 0.053 0.000 2.566 521 A HA 0.501 4.926 4.320 0.175 0.000 0.245 521 A C 0.015 177.628 177.584 0.048 0.000 1.056 521 A CA 0.155 52.221 52.037 0.049 0.000 0.757 521 A CB -0.700 18.325 19.000 0.041 0.000 0.979 521 A HN 1.730 nan 8.150 nan 0.000 0.508 522 P HA -0.138 nan 4.420 nan 0.000 0.216 522 P C 1.111 178.432 177.300 0.035 0.000 1.150 522 P CA 2.400 65.528 63.100 0.047 0.000 0.843 522 P CB -0.552 31.176 31.700 0.046 0.000 0.787 523 Y N -1.970 118.348 120.300 0.031 0.000 2.487 523 Y HA 0.428 5.083 4.550 0.175 0.000 0.339 523 Y C 0.914 176.829 175.900 0.025 0.000 1.191 523 Y CA 1.073 59.188 58.100 0.024 0.000 1.279 523 Y CB -1.702 36.771 38.460 0.022 0.000 1.122 523 Y HN 0.782 nan 8.280 nan 0.000 0.500 524 D N -0.960 119.458 120.400 0.029 0.000 3.729 524 D HA 0.396 5.141 4.640 0.175 0.000 0.242 524 D C 0.509 176.826 176.300 0.028 0.000 1.091 524 D CA 0.929 54.946 54.000 0.028 0.000 1.096 524 D CB -1.190 39.624 40.800 0.022 0.000 0.901 524 D HN 2.301 nan 8.370 nan 0.000 0.416 525 G N -1.518 107.302 108.800 0.033 0.000 2.488 525 G HA2 1.055 5.121 3.960 0.175 0.000 0.301 525 G HA3 1.055 5.121 3.960 0.175 0.000 0.301 525 G C -0.435 174.490 174.900 0.041 0.000 1.339 525 G CA 0.868 45.988 45.100 0.034 0.000 0.803 525 G HN 1.543 nan 8.290 nan 0.000 0.482 526 E N -1.535 118.691 120.200 0.043 0.000 2.266 526 E HA 0.881 5.336 4.350 0.175 0.000 0.277 526 E C 0.421 177.060 176.600 0.064 0.000 1.018 526 E CA 0.498 56.932 56.400 0.056 0.000 0.840 526 E CB 1.209 30.942 29.700 0.055 0.000 1.082 526 E HN 1.924 nan 8.360 nan 0.000 0.395 527 S N 0.177 115.926 115.700 0.082 0.000 3.359 527 S HA 0.897 5.472 4.470 0.175 0.000 0.323 527 S C -0.382 174.271 174.600 0.087 0.000 1.143 527 S CA -0.435 57.806 58.200 0.068 0.000 0.989 527 S CB 0.737 63.966 63.200 0.048 0.000 1.375 527 S HN 0.783 nan 8.310 nan 0.000 0.728 528 I N 2.053 122.624 120.570 0.001 0.000 2.775 528 I HA 0.377 4.653 4.170 0.175 0.000 0.295 528 I C -2.637 173.330 176.117 -0.250 0.000 1.287 528 I CA -1.719 59.499 61.300 -0.136 0.000 1.029 528 I CB 2.785 40.679 38.000 -0.175 0.000 1.282 528 I HN 0.430 nan 8.210 nan 0.000 0.426 529 P HA 0.092 nan 4.420 nan 0.000 0.271 529 P C 0.482 177.476 177.300 -0.509 0.000 1.218 529 P CA -0.033 62.799 63.100 -0.446 0.000 0.780 529 P CB 1.100 32.461 31.700 -0.565 0.000 0.901 530 G N 0.975 109.408 108.800 -0.612 0.000 2.623 530 G HA2 0.209 4.274 3.960 0.175 0.000 0.214 530 G HA3 0.209 4.274 3.960 0.175 0.000 0.214 530 G C 0.959 175.215 174.900 -1.074 0.000 1.138 530 G CA 0.386 44.919 45.100 -0.945 0.000 0.794 530 G HN 0.935 nan 8.290 nan 0.000 0.535 531 G N -0.934 107.385 108.800 -0.802 0.000 2.165 531 G HA2 -0.260 3.805 3.960 0.175 0.000 0.226 531 G HA3 -0.260 3.805 3.960 0.175 0.000 0.226 531 G C 0.504 175.422 174.900 0.029 0.000 1.035 531 G CA 0.539 45.449 45.100 -0.316 0.000 0.744 531 G HN 0.382 nan 8.290 nan 0.000 0.501 532 Y N -0.436 119.904 120.300 0.068 0.000 2.500 532 Y HA 0.636 5.292 4.550 0.176 0.000 0.284 532 Y C 2.148 178.237 175.900 0.314 0.000 1.118 532 Y CA -0.083 58.092 58.100 0.125 0.000 1.241 532 Y CB -0.556 37.886 38.460 -0.029 0.000 1.171 532 Y HN 0.599 nan 8.280 nan 0.000 0.540 533 A N 0.997 123.815 122.820 -0.004 0.000 2.346 533 A HA 0.246 4.671 4.320 0.175 0.000 0.252 533 A C 1.364 179.221 177.584 0.455 0.000 1.089 533 A CA -0.271 51.795 52.037 0.049 0.000 0.797 533 A CB 0.109 18.817 19.000 -0.486 0.000 1.047 533 A HN 0.189 nan 8.150 nan 0.000 0.494 534 I N 0.102 120.938 120.570 0.444 0.000 2.252 534 I HA -0.067 4.209 4.170 0.175 0.000 0.245 534 I C 1.507 177.945 176.117 0.534 0.000 1.102 534 I CA 1.881 63.470 61.300 0.482 0.000 1.385 534 I CB -1.458 36.738 38.000 0.327 0.000 1.064 534 I HN 0.621 nan 8.210 nan 0.000 0.414 535 A N 0.277 123.309 122.820 0.354 0.000 2.337 535 A HA 0.621 5.046 4.320 0.175 0.000 0.329 535 A C 0.562 178.163 177.584 0.028 0.000 1.146 535 A CA -0.489 51.691 52.037 0.238 0.000 0.800 535 A CB 1.328 20.484 19.000 0.260 0.000 1.220 535 A HN 0.214 nan 8.150 nan 0.000 0.472 536 L N 0.496 121.588 121.223 -0.219 0.000 2.554 536 L HA 0.239 4.684 4.340 0.175 0.000 0.225 536 L C 0.604 177.364 176.870 -0.183 0.000 1.104 536 L CA 0.544 55.178 54.840 -0.343 0.000 0.866 536 L CB -0.121 41.510 42.059 -0.714 0.000 1.047 536 L HN 0.654 nan 8.230 nan 0.000 0.468 537 R N -0.700 119.719 120.500 -0.135 0.000 2.673 537 R HA 0.285 4.730 4.340 0.175 0.000 0.281 537 R C 0.449 176.585 176.300 -0.274 0.000 0.991 537 R CA -0.485 55.540 56.100 -0.126 0.000 0.896 537 R CB 2.213 32.460 30.300 -0.088 0.000 1.201 537 R HN -0.121 nan 8.270 nan 0.000 0.457 538 M N 1.756 121.130 119.600 -0.377 0.000 2.202 538 M HA -0.139 4.446 4.480 0.175 0.000 0.262 538 M C 1.630 177.768 176.300 -0.270 0.000 1.063 538 M CA 2.234 57.141 55.300 -0.655 0.000 1.097 538 M CB 0.004 32.468 32.600 -0.226 0.000 1.382 538 M HN 0.885 nan 8.290 nan 0.000 0.413 539 A N 0.012 122.769 122.820 -0.105 0.000 2.125 539 A HA -0.168 4.257 4.320 0.175 0.000 0.219 539 A C 1.692 179.297 177.584 0.035 0.000 1.156 539 A CA 1.693 53.727 52.037 -0.006 0.000 0.671 539 A CB -0.640 18.390 19.000 0.051 0.000 0.794 539 A HN 0.715 nan 8.150 nan 0.000 0.459 540 E N -0.228 119.988 120.200 0.028 0.000 2.385 540 E HA 0.001 4.456 4.350 0.175 0.000 0.194 540 E C 0.711 177.415 176.600 0.173 0.000 1.013 540 E CA -0.195 56.285 56.400 0.134 0.000 0.866 540 E CB 0.093 29.881 29.700 0.146 0.000 0.832 540 E HN 0.741 nan 8.360 nan 0.000 0.500 541 E N 1.756 121.998 120.200 0.069 0.000 2.413 541 E HA -0.020 4.436 4.350 0.175 0.000 0.263 541 E C -0.323 176.254 176.600 -0.039 0.000 1.015 541 E CA 0.061 56.524 56.400 0.105 0.000 0.916 541 E CB 0.539 30.354 29.700 0.192 0.000 0.947 541 E HN -0.085 nan 8.360 nan 0.000 0.440 542 R N 3.133 123.461 120.500 -0.286 0.000 2.854 542 R HA 0.406 4.851 4.340 0.175 0.000 0.271 542 R C -0.586 175.428 176.300 -0.476 0.000 0.996 542 R CA -0.745 54.981 56.100 -0.623 0.000 0.961 542 R CB 1.790 31.170 30.300 -1.533 0.000 1.182 542 R HN 0.638 nan 8.270 nan 0.000 0.479 543 Q N -0.042 119.599 119.800 -0.265 0.000 2.421 543 Q HA 0.792 5.237 4.340 0.175 0.000 0.280 543 Q C -1.386 174.659 176.000 0.075 0.000 1.085 543 Q CA -0.976 54.840 55.803 0.021 0.000 0.807 543 Q CB 3.077 31.863 28.738 0.080 0.000 1.405 543 Q HN 0.730 nan 8.270 nan 0.000 0.419 544 A N 0.909 123.840 122.820 0.185 0.000 2.574 544 A HA 0.798 5.223 4.320 0.175 0.000 0.297 544 A C -1.249 176.313 177.584 -0.036 0.000 1.062 544 A CA -0.606 51.458 52.037 0.046 0.000 0.686 544 A CB 1.803 20.919 19.000 0.193 0.000 1.285 544 A HN 0.659 nan 8.150 nan 0.000 0.403 545 S N 0.102 115.581 115.700 -0.368 0.000 2.541 545 S HA 0.850 5.425 4.470 0.175 0.000 0.280 545 S C -1.320 172.839 174.600 -0.735 0.000 1.112 545 S CA -0.517 57.433 58.200 -0.416 0.000 0.925 545 S CB 0.973 64.032 63.200 -0.234 0.000 1.067 545 S HN 0.664 nan 8.310 nan 0.000 0.479 546 F N 1.578 121.363 119.950 -0.275 0.000 2.532 546 F HA 0.423 5.056 4.527 0.176 0.000 0.365 546 F C -0.216 175.508 175.800 -0.126 0.000 1.112 546 F CA -0.925 57.001 58.000 -0.125 0.000 1.082 546 F CB 1.532 40.473 39.000 -0.098 0.000 1.319 546 F HN 0.413 nan 8.300 nan 0.000 0.457 547 V N 2.321 122.237 119.914 0.004 0.000 2.583 547 V HA 0.480 4.705 4.120 0.175 0.000 0.287 547 V C 0.989 177.136 176.094 0.088 0.000 1.051 547 V CA -0.035 62.272 62.300 0.012 0.000 1.010 547 V CB 0.860 32.684 31.823 0.000 0.000 0.988 547 V HN 1.005 nan 8.190 nan 0.000 0.478 548 G N 4.063 112.912 108.800 0.082 0.000 2.273 548 G HA2 -0.301 3.764 3.960 0.175 0.000 0.280 548 G HA3 -0.301 3.764 3.960 0.175 0.000 0.280 548 G C -0.198 174.755 174.900 0.088 0.000 1.047 548 G CA 0.273 45.410 45.100 0.061 0.000 0.869 548 G HN 0.743 nan 8.290 nan 0.000 0.502 549 F N 1.422 121.387 119.950 0.025 0.000 2.456 549 F HA 0.548 5.180 4.527 0.175 0.000 0.358 549 F C 0.919 176.710 175.800 -0.014 0.000 1.095 549 F CA 0.117 58.127 58.000 0.016 0.000 1.216 549 F CB 0.968 39.977 39.000 0.014 0.000 1.125 549 F HN 0.222 nan 8.300 nan 0.000 0.549 550 G N 5.823 114.241 108.800 -0.637 0.000 2.319 550 G HA2 0.507 4.572 3.960 0.175 0.000 0.308 550 G HA3 0.507 4.572 3.960 0.175 0.000 0.308 550 G C -1.460 173.180 174.900 -0.433 0.000 1.117 550 G CA -0.518 44.342 45.100 -0.401 0.000 0.903 550 G HN 0.598 nan 8.290 nan 0.000 0.436 551 V N 2.331 122.134 119.914 -0.185 0.000 2.427 551 V HA 0.782 5.007 4.120 0.175 0.000 0.286 551 V C 0.343 176.332 176.094 -0.174 0.000 1.034 551 V CA -0.033 62.122 62.300 -0.240 0.000 0.893 551 V CB 1.003 32.538 31.823 -0.479 0.000 0.982 551 V HN 1.188 nan 8.190 nan 0.000 0.452 552 S N 4.907 120.524 115.700 -0.138 0.000 2.655 552 S HA 0.488 5.064 4.470 0.175 0.000 0.266 552 S C -2.634 171.911 174.600 -0.092 0.000 1.149 552 S CA -0.723 57.398 58.200 -0.133 0.000 0.818 552 S CB 1.747 64.872 63.200 -0.124 0.000 1.130 552 S HN 0.377 nan 8.310 nan 0.000 0.476 553 P HA 0.062 nan 4.420 nan 0.000 0.228 553 P C 0.025 177.308 177.300 -0.029 0.000 1.151 553 P CA 1.093 64.158 63.100 -0.058 0.000 0.770 553 P CB -0.178 31.492 31.700 -0.049 0.000 0.786 554 D N -0.449 119.928 120.400 -0.037 0.000 2.360 554 D HA 0.194 4.940 4.640 0.175 0.000 0.210 554 D C 0.673 176.962 176.300 -0.018 0.000 1.047 554 D CA 0.318 54.301 54.000 -0.028 0.000 0.854 554 D CB 0.518 41.293 40.800 -0.042 0.000 0.936 554 D HN 0.114 nan 8.370 nan 0.000 0.514 555 A N 0.793 123.611 122.820 -0.004 0.000 2.984 555 A HA 0.354 4.779 4.320 0.175 0.000 0.320 555 A C 0.704 178.408 177.584 0.200 0.000 1.142 555 A CA -0.534 51.536 52.037 0.055 0.000 0.772 555 A CB 0.093 19.051 19.000 -0.069 0.000 1.195 555 A HN -0.017 nan 8.150 nan 0.000 0.459 556 T N -2.141 112.530 114.554 0.195 0.000 3.105 556 T HA 0.343 4.798 4.350 0.175 0.000 0.253 556 T C 0.332 175.106 174.700 0.123 0.000 1.047 556 T CA 0.166 62.425 62.100 0.264 0.000 0.944 556 T CB -0.055 68.866 68.868 0.088 0.000 1.016 556 T HN 0.623 nan 8.240 nan 0.000 0.544 557 Q N 0.401 120.253 119.800 0.087 0.000 2.340 557 Q HA 0.584 5.029 4.340 0.175 0.000 0.276 557 Q C -2.280 173.653 176.000 -0.113 0.000 1.048 557 Q CA -0.943 54.729 55.803 -0.218 0.000 0.832 557 Q CB 2.301 30.944 28.738 -0.159 0.000 1.373 557 Q HN 0.329 nan 8.270 nan 0.000 0.409 558 L N 4.040 125.018 121.223 -0.408 0.000 2.349 558 L HA 0.594 5.039 4.340 0.175 0.000 0.278 558 L C -1.493 175.124 176.870 -0.421 0.000 0.996 558 L CA -0.637 53.933 54.840 -0.450 0.000 0.825 558 L CB 1.601 43.160 42.059 -0.834 0.000 1.243 558 L HN 0.754 nan 8.230 nan 0.000 0.412 559 N N 4.202 122.719 118.700 -0.305 0.000 2.421 559 N HA 0.445 5.290 4.740 0.175 0.000 0.285 559 N C -0.941 174.439 175.510 -0.217 0.000 1.027 559 N CA -0.326 52.589 53.050 -0.226 0.000 0.918 559 N CB 2.688 41.103 38.487 -0.120 0.000 1.152 559 N HN 0.260 nan 8.380 nan 0.000 0.485 560 V N 2.472 122.270 119.914 -0.194 0.000 2.540 560 V HA 0.370 4.595 4.120 0.175 0.000 0.302 560 V C -0.299 175.741 176.094 -0.089 0.000 1.035 560 V CA -0.916 61.336 62.300 -0.081 0.000 0.873 560 V CB 1.839 33.591 31.823 -0.119 0.000 0.992 560 V HN 0.555 nan 8.190 nan 0.000 0.428 561 N N 3.884 122.614 118.700 0.050 0.000 2.479 561 N HA 0.464 5.309 4.740 0.175 0.000 0.261 561 N C -1.027 174.613 175.510 0.217 0.000 0.979 561 N CA -0.418 52.677 53.050 0.076 0.000 0.930 561 N CB 1.669 40.217 38.487 0.102 0.000 1.172 561 N HN 0.364 nan 8.380 nan 0.000 0.499 562 F N 1.904 121.832 119.950 -0.036 0.000 2.406 562 F HA 0.256 4.889 4.527 0.176 0.000 0.327 562 F C 1.032 176.867 175.800 0.057 0.000 1.153 562 F CA -0.723 57.200 58.000 -0.128 0.000 1.218 562 F CB 0.608 39.244 39.000 -0.607 0.000 1.215 562 F HN 0.486 nan 8.300 nan 0.000 0.570 563 N N -0.791 118.055 118.700 0.242 0.000 2.610 563 N HA 0.684 5.530 4.740 0.175 0.000 0.264 563 N C -1.615 174.046 175.510 0.252 0.000 1.348 563 N CA -0.754 52.456 53.050 0.267 0.000 0.819 563 N CB 2.022 40.615 38.487 0.176 0.000 1.521 563 N HN 0.443 nan 8.380 nan 0.000 0.497 564 S N -1.790 114.063 115.700 0.254 0.000 2.615 564 S HA 0.829 5.404 4.470 0.175 0.000 0.269 564 S C -1.289 173.395 174.600 0.141 0.000 1.161 564 S CA -0.772 57.554 58.200 0.210 0.000 0.817 564 S CB 1.035 64.413 63.200 0.297 0.000 1.131 564 S HN 1.128 nan 8.310 nan 0.000 0.467 565 T N -0.773 113.847 114.554 0.110 0.000 2.876 565 T HA 0.784 5.240 4.350 0.175 0.000 0.289 565 T C -1.205 173.537 174.700 0.071 0.000 1.014 565 T CA -0.719 61.428 62.100 0.077 0.000 0.986 565 T CB 1.336 70.235 68.868 0.052 0.000 1.021 565 T HN 1.149 nan 8.240 nan 0.000 0.458 566 L N 1.575 122.830 121.223 0.054 0.000 2.516 566 L HA 0.546 4.992 4.340 0.175 0.000 0.267 566 L C -1.306 175.558 176.870 -0.010 0.000 0.957 566 L CA -0.239 54.622 54.840 0.035 0.000 0.860 566 L CB 2.128 44.237 42.059 0.084 0.000 1.265 566 L HN 0.907 nan 8.230 nan 0.000 0.403 567 Q N 2.976 122.729 119.800 -0.079 0.000 2.394 567 Q HA 0.808 5.253 4.340 0.175 0.000 0.273 567 Q C -1.752 174.085 176.000 -0.271 0.000 1.089 567 Q CA -0.926 54.801 55.803 -0.126 0.000 0.812 567 Q CB 3.531 32.203 28.738 -0.110 0.000 1.353 567 Q HN 0.528 nan 8.270 nan 0.000 0.438 568 V N 1.720 121.425 119.914 -0.348 0.000 2.760 568 V HA 0.644 4.870 4.120 0.175 0.000 0.309 568 V C -1.709 174.028 176.094 -0.596 0.000 1.077 568 V CA -0.402 61.514 62.300 -0.639 0.000 0.910 568 V CB 1.964 33.153 31.823 -1.056 0.000 1.008 568 V HN 0.716 nan 8.190 nan 0.000 0.424 569 K N 5.601 125.574 120.400 -0.712 0.000 2.482 569 K HA 0.614 5.040 4.320 0.175 0.000 0.251 569 K C -2.018 174.183 176.600 -0.665 0.000 0.936 569 K CA -0.504 55.454 56.287 -0.549 0.000 0.791 569 K CB 1.679 33.979 32.500 -0.333 0.000 1.213 569 K HN 0.546 nan 8.250 nan 0.000 0.428 570 F N 1.523 121.356 119.950 -0.196 0.000 2.450 570 F HA 0.243 4.875 4.527 0.175 0.000 0.332 570 F C 1.339 177.108 175.800 -0.051 0.000 1.093 570 F CA -0.593 57.356 58.000 -0.085 0.000 1.003 570 F CB 2.242 41.256 39.000 0.024 0.000 1.151 570 F HN 0.678 nan 8.300 nan 0.000 0.474 571 S N -1.332 114.482 115.700 0.190 0.000 2.512 571 S HA 0.099 4.674 4.470 0.175 0.000 0.216 571 S C 0.494 175.188 174.600 0.157 0.000 1.006 571 S CA -0.196 58.073 58.200 0.116 0.000 0.915 571 S CB -0.406 62.828 63.200 0.057 0.000 0.824 571 S HN 0.523 nan 8.310 nan 0.000 0.497 572 T N 4.311 119.006 114.554 0.236 0.000 2.919 572 T HA 0.261 4.716 4.350 0.175 0.000 0.302 572 T C -0.160 174.661 174.700 0.202 0.000 1.031 572 T CA -0.236 61.973 62.100 0.183 0.000 1.127 572 T CB 0.470 69.427 68.868 0.148 0.000 0.952 572 T HN 0.418 nan 8.240 nan 0.000 0.540 573 N N 2.646 121.414 118.700 0.113 0.000 2.408 573 N HA 0.143 4.988 4.740 0.175 0.000 0.257 573 N C -0.157 175.373 175.510 0.033 0.000 1.064 573 N CA -0.306 52.805 53.050 0.101 0.000 0.952 573 N CB 0.066 38.590 38.487 0.062 0.000 1.093 573 N HN 0.551 nan 8.380 nan 0.000 0.490 574 L N 2.613 123.840 121.223 0.007 0.000 3.017 574 L HA 0.155 4.601 4.340 0.175 0.000 0.255 574 L C 1.549 178.387 176.870 -0.053 0.000 1.247 574 L CA -0.180 54.584 54.840 -0.126 0.000 1.038 574 L CB -0.159 41.634 42.059 -0.443 0.000 1.380 574 L HN 0.608 nan 8.230 nan 0.000 0.548 575 S N -1.685 114.019 115.700 0.006 0.000 2.442 575 S HA -0.167 4.408 4.470 0.175 0.000 0.236 575 S C 1.909 176.508 174.600 -0.001 0.000 1.007 575 S CA 1.435 59.645 58.200 0.017 0.000 0.965 575 S CB -0.612 62.605 63.200 0.028 0.000 0.773 575 S HN 0.584 nan 8.310 nan 0.000 0.504 576 T N -0.304 114.241 114.554 -0.015 0.000 3.113 576 T HA 0.338 4.793 4.350 0.175 0.000 0.256 576 T C 0.560 175.245 174.700 -0.026 0.000 1.131 576 T CA -0.136 61.953 62.100 -0.017 0.000 1.074 576 T CB -0.513 68.345 68.868 -0.018 0.000 0.944 576 T HN 0.338 nan 8.240 nan 0.000 0.516 577 L N 1.043 122.241 121.223 -0.041 0.000 2.360 577 L HA 0.512 4.957 4.340 0.175 0.000 0.271 577 L C 0.452 177.307 176.870 -0.026 0.000 1.057 577 L CA -1.278 53.534 54.840 -0.047 0.000 0.803 577 L CB 1.090 43.094 42.059 -0.091 0.000 1.207 577 L HN -0.090 nan 8.230 nan 0.000 0.445 578 K N 2.308 122.698 120.400 -0.017 0.000 2.285 578 K HA 0.070 4.496 4.320 0.175 0.000 0.286 578 K C -0.817 175.783 176.600 0.001 0.000 1.072 578 K CA -0.121 56.164 56.287 -0.003 0.000 0.913 578 K CB 0.392 32.892 32.500 0.000 0.000 1.067 578 K HN 0.525 nan 8.250 nan 0.000 0.479 579 D N 3.037 123.444 120.400 0.013 0.000 2.802 579 D HA -0.169 4.577 4.640 0.175 0.000 0.229 579 D C -2.207 174.108 176.300 0.024 0.000 1.203 579 D CA 0.365 54.381 54.000 0.026 0.000 0.712 579 D CB -0.614 40.200 40.800 0.024 0.000 0.973 579 D HN 0.421 nan 8.370 nan 0.000 0.407 580 P HA 0.087 nan 4.420 nan 0.000 0.276 580 P C -0.223 177.127 177.300 0.083 0.000 1.230 580 P CA 0.219 63.309 63.100 -0.017 0.000 0.776 580 P CB 1.083 32.690 31.700 -0.154 0.000 0.888 581 Q N 1.473 121.316 119.800 0.071 0.000 2.372 581 Q HA 0.429 4.874 4.340 0.175 0.000 0.273 581 Q C -1.079 175.006 176.000 0.142 0.000 1.078 581 Q CA -0.792 55.086 55.803 0.125 0.000 0.806 581 Q CB 2.193 30.968 28.738 0.061 0.000 1.332 581 Q HN 0.402 nan 8.270 nan 0.000 0.435 582 F N 2.408 122.340 119.950 -0.030 0.000 2.410 582 F HA 0.504 5.137 4.527 0.175 0.000 0.348 582 F C -1.140 174.600 175.800 -0.099 0.000 1.106 582 F CA -0.594 57.320 58.000 -0.145 0.000 1.163 582 F CB 0.753 39.508 39.000 -0.408 0.000 1.129 582 F HN 0.216 nan 8.300 nan 0.000 0.516 583 V N 6.529 126.186 119.914 -0.429 0.000 2.656 583 V HA 0.438 4.663 4.120 0.175 0.000 0.307 583 V C -0.773 175.031 176.094 -0.483 0.000 1.051 583 V CA -1.018 61.017 62.300 -0.440 0.000 0.893 583 V CB 1.675 33.396 31.823 -0.169 0.000 0.999 583 V HN 0.583 nan 8.190 nan 0.000 0.426 584 V N 4.979 124.664 119.914 -0.381 0.000 2.350 584 V HA 0.552 4.778 4.120 0.175 0.000 0.276 584 V C -0.077 176.031 176.094 0.023 0.000 1.028 584 V CA -0.317 61.925 62.300 -0.095 0.000 0.860 584 V CB 1.552 33.358 31.823 -0.028 0.000 0.990 584 V HN 0.640 nan 8.190 nan 0.000 0.453 585 V N 4.048 123.996 119.914 0.056 0.000 3.001 585 V HA 0.555 4.780 4.120 0.175 0.000 0.314 585 V C -0.569 175.561 176.094 0.060 0.000 1.099 585 V CA -0.713 61.577 62.300 -0.016 0.000 0.989 585 V CB 2.523 34.296 31.823 -0.083 0.000 1.040 585 V HN 0.998 nan 8.190 nan 0.000 0.434 586 D N 4.954 125.308 120.400 -0.078 0.000 2.389 586 D HA 0.295 5.040 4.640 0.175 0.000 0.247 586 D C -1.462 174.856 176.300 0.031 0.000 1.128 586 D CA -1.207 52.792 54.000 -0.002 0.000 0.884 586 D CB 1.673 42.377 40.800 -0.160 0.000 1.194 586 D HN 0.362 nan 8.370 nan 0.000 0.441 587 P HA -0.128 nan 4.420 nan 0.000 0.221 587 P C 0.850 178.234 177.300 0.140 0.000 1.145 587 P CA 0.705 63.882 63.100 0.130 0.000 0.795 587 P CB 0.231 31.983 31.700 0.086 0.000 0.775 588 L N -1.194 120.051 121.223 0.037 0.000 2.607 588 L HA 0.214 4.660 4.340 0.175 0.000 0.228 588 L C 1.227 178.116 176.870 0.031 0.000 1.123 588 L CA 0.279 55.137 54.840 0.031 0.000 0.890 588 L CB -0.889 41.155 42.059 -0.025 0.000 1.103 588 L HN -0.164 nan 8.230 nan 0.000 0.468 589 L N -1.174 120.061 121.223 0.019 0.000 3.843 589 L HA -0.356 4.089 4.340 0.175 0.000 0.411 589 L C 1.602 178.413 176.870 -0.099 0.000 1.205 589 L CA 0.170 54.981 54.840 -0.049 0.000 0.945 589 L CB -1.457 40.597 42.059 -0.009 0.000 1.929 589 L HN 0.361 nan 8.230 nan 0.000 0.934 590 R N 0.137 120.571 120.500 -0.110 0.000 2.193 590 R HA 0.223 4.669 4.340 0.175 0.000 0.213 590 R C 1.169 177.367 176.300 -0.170 0.000 1.055 590 R CA 0.894 56.921 56.100 -0.122 0.000 0.995 590 R CB 0.220 30.453 30.300 -0.112 0.000 0.893 590 R HN 0.591 nan 8.270 nan 0.000 0.459 591 G N -0.652 108.010 108.800 -0.231 0.000 2.340 591 G HA2 0.329 4.394 3.960 0.175 0.000 0.299 591 G HA3 0.329 4.394 3.960 0.175 0.000 0.299 591 G C -1.583 173.097 174.900 -0.366 0.000 1.291 591 G CA -0.399 44.535 45.100 -0.276 0.000 0.841 591 G HN 0.025 nan 8.290 nan 0.000 0.500 592 V N -2.683 117.011 119.914 -0.368 0.000 2.864 592 V HA 0.730 4.956 4.120 0.175 0.000 0.314 592 V C 0.094 175.941 176.094 -0.412 0.000 1.073 592 V CA -0.935 61.150 62.300 -0.358 0.000 0.956 592 V CB 1.756 33.450 31.823 -0.216 0.000 1.023 592 V HN 0.837 nan 8.190 nan 0.000 0.435 593 Y N 1.827 122.070 120.300 -0.095 0.000 2.462 593 Y HA 0.692 5.347 4.550 0.175 0.000 0.261 593 Y C 1.302 177.155 175.900 -0.078 0.000 1.146 593 Y CA 0.447 58.501 58.100 -0.076 0.000 1.283 593 Y CB 0.888 39.309 38.460 -0.067 0.000 1.090 593 Y HN 1.138 nan 8.280 nan 0.000 0.526 594 G N 0.307 109.107 108.800 -0.001 0.000 2.368 594 G HA2 0.365 4.431 3.960 0.175 0.000 0.303 594 G HA3 0.365 4.431 3.960 0.175 0.000 0.303 594 G C -1.676 173.154 174.900 -0.116 0.000 1.590 594 G CA -1.246 43.830 45.100 -0.039 0.000 0.938 594 G HN -0.032 nan 8.290 nan 0.000 0.675 595 R N -0.572 119.875 120.500 -0.090 0.000 2.686 595 R HA 0.828 5.274 4.340 0.175 0.000 0.286 595 R C -1.262 175.016 176.300 -0.037 0.000 0.969 595 R CA -0.990 55.050 56.100 -0.101 0.000 0.898 595 R CB 2.842 33.101 30.300 -0.069 0.000 1.183 595 R HN 0.743 nan 8.270 nan 0.000 0.456 596 V N 1.036 120.944 119.914 -0.009 0.000 3.012 596 V HA 0.643 4.868 4.120 0.175 0.000 0.307 596 V C -0.877 175.311 176.094 0.158 0.000 1.166 596 V CA -0.672 61.686 62.300 0.096 0.000 0.974 596 V CB 2.119 34.047 31.823 0.175 0.000 1.040 596 V HN 0.982 nan 8.190 nan 0.000 0.428 597 A N 4.539 127.463 122.820 0.174 0.000 2.540 597 A HA 0.325 4.750 4.320 0.175 0.000 0.239 597 A C -0.529 177.231 177.584 0.293 0.000 1.061 597 A CA 0.353 52.505 52.037 0.193 0.000 0.758 597 A CB -0.281 18.807 19.000 0.148 0.000 0.991 597 A HN 1.321 nan 8.150 nan 0.000 0.502 598 Y N 1.991 122.380 120.300 0.149 0.000 2.425 598 Y HA 0.390 5.046 4.550 0.175 0.000 0.331 598 Y C 0.331 176.331 175.900 0.166 0.000 1.157 598 Y CA 0.522 58.724 58.100 0.169 0.000 1.372 598 Y CB 0.499 38.982 38.460 0.038 0.000 1.253 598 Y HN 0.868 nan 8.280 nan 0.000 0.536 599 A N 7.647 130.291 122.820 -0.292 0.000 2.414 599 A HA 0.425 4.850 4.320 0.175 0.000 0.286 599 A C -0.788 176.533 177.584 -0.438 0.000 1.073 599 A CA -0.969 50.934 52.037 -0.223 0.000 0.727 599 A CB 0.745 19.668 19.000 -0.128 0.000 1.215 599 A HN 0.902 nan 8.150 nan 0.000 0.430 600 R N 2.409 122.767 120.500 -0.236 0.000 2.538 600 R HA 0.085 4.530 4.340 0.175 0.000 0.282 600 R C 0.357 176.585 176.300 -0.120 0.000 1.009 600 R CA 1.310 57.342 56.100 -0.113 0.000 1.063 600 R CB -0.279 30.071 30.300 0.082 0.000 0.945 600 R HN 0.947 nan 8.270 nan 0.000 0.414 601 N N 0.756 119.390 118.700 -0.109 0.000 2.863 601 N HA -0.296 4.549 4.740 0.175 0.000 0.245 601 N C -0.761 174.632 175.510 -0.195 0.000 1.001 601 N CA 0.910 53.886 53.050 -0.123 0.000 0.901 601 N CB -0.536 37.903 38.487 -0.080 0.000 1.124 601 N HN 0.693 nan 8.380 nan 0.000 0.582 602 Q N 1.194 120.824 119.800 -0.284 0.000 2.267 602 Q HA 0.255 4.700 4.340 0.175 0.000 0.255 602 Q C -0.869 174.807 176.000 -0.541 0.000 0.923 602 Q CA -0.021 55.534 55.803 -0.414 0.000 0.925 602 Q CB 0.908 29.326 28.738 -0.534 0.000 1.195 602 Q HN 0.047 nan 8.270 nan 0.000 0.417 603 T N 4.829 119.119 114.554 -0.440 0.000 2.728 603 T HA 0.251 4.706 4.350 0.175 0.000 0.296 603 T C -1.102 173.357 174.700 -0.402 0.000 0.940 603 T CA -0.050 61.828 62.100 -0.369 0.000 1.013 603 T CB -0.048 68.684 68.868 -0.227 0.000 0.912 603 T HN 0.360 nan 8.240 nan 0.000 0.484 604 Y N 2.008 122.190 120.300 -0.196 0.000 2.327 604 Y HA 0.338 4.993 4.550 0.176 0.000 0.336 604 Y C 0.644 176.501 175.900 -0.073 0.000 1.035 604 Y CA -1.083 56.967 58.100 -0.085 0.000 1.165 604 Y CB 0.751 39.204 38.460 -0.011 0.000 1.181 604 Y HN 0.481 nan 8.280 nan 0.000 0.494 605 D N 4.013 124.476 120.400 0.105 0.000 2.359 605 D HA 0.259 5.004 4.640 0.175 0.000 0.230 605 D C -0.156 176.204 176.300 0.100 0.000 1.118 605 D CA -0.085 53.952 54.000 0.061 0.000 0.844 605 D CB 0.837 41.654 40.800 0.029 0.000 1.059 605 D HN 0.608 nan 8.370 nan 0.000 0.493 606 L N 2.612 123.892 121.223 0.093 0.000 2.769 606 L HA 0.121 4.566 4.340 0.175 0.000 0.240 606 L C 1.865 178.784 176.870 0.081 0.000 1.163 606 L CA -0.165 54.739 54.840 0.108 0.000 0.962 606 L CB 0.150 42.301 42.059 0.153 0.000 1.258 606 L HN 0.259 nan 8.230 nan 0.000 0.513 607 S N 0.663 116.404 115.700 0.069 0.000 2.441 607 S HA -0.152 4.423 4.470 0.175 0.000 0.242 607 S C 1.748 176.393 174.600 0.075 0.000 1.018 607 S CA 1.305 59.548 58.200 0.071 0.000 0.988 607 S CB -0.121 63.115 63.200 0.060 0.000 0.778 607 S HN 0.291 nan 8.310 nan 0.000 0.498 608 L N 0.496 121.758 121.223 0.065 0.000 2.418 608 L HA 0.243 4.688 4.340 0.175 0.000 0.218 608 L C 0.626 177.524 176.870 0.047 0.000 1.125 608 L CA 0.654 55.531 54.840 0.062 0.000 0.835 608 L CB -0.586 41.506 42.059 0.056 0.000 0.953 608 L HN 0.235 nan 8.230 nan 0.000 0.454 609 L N -1.081 120.159 121.223 0.028 0.000 2.417 609 L HA 0.252 4.697 4.340 0.175 0.000 0.268 609 L C 0.519 177.369 176.870 -0.033 0.000 1.158 609 L CA 0.137 54.958 54.840 -0.033 0.000 0.819 609 L CB 1.022 43.043 42.059 -0.064 0.000 1.112 609 L HN 0.012 nan 8.230 nan 0.000 0.458 610 S N 0.526 116.169 115.700 -0.095 0.000 2.541 610 S HA 0.874 5.449 4.470 0.175 0.000 0.280 610 S C -0.194 174.239 174.600 -0.278 0.000 1.112 610 S CA 0.306 58.458 58.200 -0.079 0.000 0.925 610 S CB 1.697 64.938 63.200 0.067 0.000 1.067 610 S HN 1.066 nan 8.310 nan 0.000 0.479 611 G N 3.222 111.812 108.800 -0.350 0.000 2.358 611 G HA2 0.020 4.085 3.960 0.175 0.000 0.198 611 G HA3 0.020 4.085 3.960 0.175 0.000 0.198 611 G C -1.706 172.958 174.900 -0.393 0.000 1.220 611 G CA -0.679 43.999 45.100 -0.703 0.000 1.187 611 G HN 0.807 nan 8.290 nan 0.000 0.544 612 Q N 0.269 119.848 119.800 -0.369 0.000 2.292 612 Q HA 0.669 5.114 4.340 0.175 0.000 0.270 612 Q C -0.081 175.870 176.000 -0.081 0.000 1.024 612 Q CA -0.593 55.128 55.803 -0.137 0.000 0.768 612 Q CB 2.345 30.921 28.738 -0.269 0.000 1.250 612 Q HN 0.895 nan 8.270 nan 0.000 0.447 613 I N -2.372 118.225 120.570 0.044 0.000 3.145 613 I HA 0.815 5.091 4.170 0.175 0.000 0.313 613 I C -0.721 175.443 176.117 0.078 0.000 1.122 613 I CA -0.894 60.439 61.300 0.055 0.000 0.987 613 I CB 2.573 40.561 38.000 -0.020 0.000 1.236 613 I HN 0.330 nan 8.210 nan 0.000 0.453 614 S N 1.121 116.830 115.700 0.014 0.000 2.599 614 S HA 0.759 5.334 4.470 0.175 0.000 0.287 614 S C -1.196 173.363 174.600 -0.068 0.000 1.105 614 S CA -0.392 57.799 58.200 -0.014 0.000 0.899 614 S CB 1.676 64.944 63.200 0.114 0.000 1.100 614 S HN 0.424 nan 8.310 nan 0.000 0.482 615 F N 0.940 121.088 119.950 0.330 0.000 2.469 615 F HA 0.810 5.443 4.527 0.176 0.000 0.332 615 F C 0.843 176.790 175.800 0.245 0.000 1.103 615 F CA -0.703 57.483 58.000 0.312 0.000 0.979 615 F CB 1.631 40.916 39.000 0.475 0.000 1.137 615 F HN 0.720 nan 8.300 nan 0.000 0.463 616 G N 1.851 110.880 108.800 0.382 0.000 2.766 616 G HA2 0.798 4.863 3.960 0.175 0.000 0.288 616 G HA3 0.798 4.863 3.960 0.175 0.000 0.288 616 G C -1.817 173.199 174.900 0.193 0.000 1.408 616 G CA -0.782 44.461 45.100 0.239 0.000 0.852 616 G HN 0.514 nan 8.290 nan 0.000 0.487 617 I N 0.293 120.938 120.570 0.125 0.000 2.619 617 I HA 0.385 4.660 4.170 0.175 0.000 0.292 617 I C -0.667 175.502 176.117 0.086 0.000 1.100 617 I CA -0.763 60.566 61.300 0.048 0.000 1.043 617 I CB 2.515 40.464 38.000 -0.085 0.000 1.239 617 I HN 0.742 nan 8.210 nan 0.000 0.420 618 Q N 3.281 123.116 119.800 0.058 0.000 2.423 618 Q HA 0.755 5.200 4.340 0.175 0.000 0.278 618 Q C -1.170 174.849 176.000 0.032 0.000 1.097 618 Q CA -0.788 55.067 55.803 0.087 0.000 0.809 618 Q CB 2.923 31.698 28.738 0.062 0.000 1.391 618 Q HN 0.509 nan 8.270 nan 0.000 0.428 619 T N 0.712 115.290 114.554 0.040 0.000 2.909 619 T HA 0.287 4.742 4.350 0.175 0.000 0.299 619 T C 0.032 174.747 174.700 0.025 0.000 1.073 619 T CA -0.659 61.449 62.100 0.012 0.000 0.999 619 T CB 1.573 70.433 68.868 -0.013 0.000 1.098 619 T HN 0.652 nan 8.240 nan 0.000 0.477 620 L N 3.909 125.141 121.223 0.015 0.000 2.093 620 L HA 0.402 4.848 4.340 0.175 0.000 0.208 620 L C 0.303 177.184 176.870 0.018 0.000 1.085 620 L CA 1.726 56.576 54.840 0.016 0.000 0.755 620 L CB -0.283 41.782 42.059 0.011 0.000 0.904 620 L HN 0.587 nan 8.230 nan 0.000 0.435 621 L N 0.650 121.880 121.223 0.013 0.000 2.334 621 L HA 0.427 4.872 4.340 0.175 0.000 0.273 621 L C -2.148 174.728 176.870 0.010 0.000 1.013 621 L CA -2.186 52.661 54.840 0.011 0.000 0.816 621 L CB 1.273 43.335 42.059 0.005 0.000 1.278 621 L HN -0.094 nan 8.230 nan 0.000 0.431 622 P HA 0.029 nan 4.420 nan 0.000 0.266 622 P C -0.703 176.592 177.300 -0.008 0.000 1.195 622 P CA -0.287 62.816 63.100 0.005 0.000 0.768 622 P CB 0.829 32.533 31.700 0.007 0.000 0.838 623 A N 2.971 125.779 122.820 -0.020 0.000 2.477 623 A HA 0.368 4.793 4.320 0.175 0.000 0.246 623 A C 1.647 179.219 177.584 -0.021 0.000 1.078 623 A CA 0.255 52.276 52.037 -0.027 0.000 0.770 623 A CB -0.192 18.784 19.000 -0.039 0.000 1.011 623 A HN 0.612 nan 8.150 nan 0.000 0.494 624 A N 2.498 125.307 122.820 -0.018 0.000 1.968 624 A HA 0.294 4.719 4.320 0.175 0.000 0.217 624 A C 1.141 178.717 177.584 -0.014 0.000 1.169 624 A CA 1.857 53.886 52.037 -0.013 0.000 0.638 624 A CB -0.157 18.836 19.000 -0.011 0.000 0.812 624 A HN 0.791 nan 8.150 nan 0.000 0.446 625 T N -0.459 114.085 114.554 -0.017 0.000 2.864 625 T HA 0.407 4.862 4.350 0.175 0.000 0.299 625 T C -1.625 173.064 174.700 -0.020 0.000 1.166 625 T CA -0.805 61.286 62.100 -0.016 0.000 1.007 625 T CB 1.396 70.257 68.868 -0.011 0.000 1.219 625 T HN 0.102 nan 8.240 nan 0.000 0.506 626 D N 1.457 121.847 120.400 -0.016 0.000 2.488 626 D HA 0.333 5.078 4.640 0.175 0.000 0.238 626 D C -0.425 175.867 176.300 -0.013 0.000 1.138 626 D CA 0.445 54.436 54.000 -0.016 0.000 0.873 626 D CB 0.423 41.218 40.800 -0.007 0.000 1.183 626 D HN 0.398 nan 8.370 nan 0.000 0.458 627 I N 1.123 121.684 120.570 -0.016 0.000 2.512 627 I HA 0.167 4.442 4.170 0.175 0.000 0.287 627 I C -0.803 175.318 176.117 0.006 0.000 1.069 627 I CA -0.397 60.896 61.300 -0.012 0.000 1.056 627 I CB 1.522 39.502 38.000 -0.033 0.000 1.229 627 I HN 0.093 nan 8.210 nan 0.000 0.429 628 T N 8.106 122.678 114.554 0.030 0.000 2.780 628 T HA 0.513 4.968 4.350 0.175 0.000 0.294 628 T C -0.078 174.670 174.700 0.080 0.000 0.949 628 T CA -0.015 62.130 62.100 0.075 0.000 1.074 628 T CB 0.426 69.343 68.868 0.082 0.000 0.910 628 T HN 0.307 nan 8.240 nan 0.000 0.501 629 I N 3.592 124.229 120.570 0.112 0.000 2.377 629 I HA 0.377 4.652 4.170 0.175 0.000 0.293 629 I C 0.235 176.497 176.117 0.241 0.000 0.987 629 I CA -0.732 60.643 61.300 0.125 0.000 1.185 629 I CB 1.551 39.574 38.000 0.039 0.000 1.341 629 I HN 0.449 nan 8.210 nan 0.000 0.455 630 Q N 3.567 123.523 119.800 0.261 0.000 2.387 630 Q HA 0.824 5.269 4.340 0.175 0.000 0.273 630 Q C -0.333 175.839 176.000 0.286 0.000 1.089 630 Q CA -0.851 55.115 55.803 0.271 0.000 0.824 630 Q CB 3.159 31.994 28.738 0.162 0.000 1.367 630 Q HN 0.858 nan 8.270 nan 0.000 0.443 631 G N -0.116 108.779 108.800 0.159 0.000 2.619 631 G HA2 0.595 4.660 3.960 0.175 0.000 0.305 631 G HA3 0.595 4.660 3.960 0.175 0.000 0.305 631 G C -1.475 173.337 174.900 -0.147 0.000 1.330 631 G CA -0.440 44.611 45.100 -0.081 0.000 0.789 631 G HN 0.373 nan 8.290 nan 0.000 0.487 632 T N -0.002 114.377 114.554 -0.292 0.000 2.879 632 T HA 0.569 5.024 4.350 0.175 0.000 0.290 632 T C -0.843 173.662 174.700 -0.325 0.000 0.993 632 T CA -0.302 61.668 62.100 -0.217 0.000 0.975 632 T CB 1.854 70.627 68.868 -0.159 0.000 0.981 632 T HN 0.445 nan 8.240 nan 0.000 0.439 633 V N 3.347 123.104 119.914 -0.261 0.000 2.427 633 V HA 0.497 4.722 4.120 0.175 0.000 0.286 633 V C 0.138 176.125 176.094 -0.178 0.000 1.034 633 V CA -0.460 61.639 62.300 -0.335 0.000 0.893 633 V CB 1.877 33.417 31.823 -0.472 0.000 0.982 633 V HN 1.000 nan 8.190 nan 0.000 0.452 634 T N 6.652 121.108 114.554 -0.165 0.000 2.821 634 T HA 0.470 4.925 4.350 0.175 0.000 0.307 634 T C -0.650 174.027 174.700 -0.038 0.000 1.034 634 T CA -0.180 61.872 62.100 -0.079 0.000 0.953 634 T CB 0.764 69.583 68.868 -0.081 0.000 0.968 634 T HN 0.351 nan 8.240 nan 0.000 0.462 635 L N 4.857 126.092 121.223 0.021 0.000 2.294 635 L HA 0.495 4.940 4.340 0.175 0.000 0.283 635 L C 0.236 177.150 176.870 0.073 0.000 1.015 635 L CA 0.062 54.948 54.840 0.078 0.000 0.831 635 L CB 0.252 42.415 42.059 0.173 0.000 1.217 635 L HN 0.559 nan 8.230 nan 0.000 0.420 636 N N 4.387 123.128 118.700 0.068 0.000 2.721 636 N HA -0.228 4.617 4.740 0.175 0.000 0.249 636 N C 0.983 176.514 175.510 0.035 0.000 1.072 636 N CA 1.257 54.342 53.050 0.057 0.000 0.710 636 N CB -1.188 37.339 38.487 0.068 0.000 0.993 636 N HN 1.216 nan 8.380 nan 0.000 0.547 637 G N -0.593 108.221 108.800 0.023 0.000 2.217 637 G HA2 -0.341 3.724 3.960 0.175 0.000 0.246 637 G HA3 -0.341 3.724 3.960 0.175 0.000 0.246 637 G C -0.194 174.711 174.900 0.008 0.000 0.990 637 G CA 0.564 45.670 45.100 0.011 0.000 0.627 637 G HN 0.630 nan 8.290 nan 0.000 0.522 638 E N 1.205 121.417 120.200 0.020 0.000 2.174 638 E HA 0.433 4.889 4.350 0.175 0.000 0.282 638 E C -0.940 175.669 176.600 0.015 0.000 0.992 638 E CA -0.764 55.649 56.400 0.021 0.000 0.803 638 E CB 0.510 30.231 29.700 0.036 0.000 1.090 638 E HN 0.164 nan 8.360 nan 0.000 0.396 639 D N 4.360 124.761 120.400 0.002 0.000 2.308 639 D HA 0.297 5.042 4.640 0.175 0.000 0.251 639 D C -0.303 176.004 176.300 0.011 0.000 1.127 639 D CA 0.164 54.157 54.000 -0.012 0.000 0.876 639 D CB 0.819 41.603 40.800 -0.026 0.000 1.176 639 D HN 0.380 nan 8.370 nan 0.000 0.446 640 I N 4.054 124.635 120.570 0.019 0.000 2.478 640 I HA 0.212 4.487 4.170 0.175 0.000 0.287 640 I C -2.348 173.801 176.117 0.053 0.000 1.042 640 I CA -2.116 59.223 61.300 0.066 0.000 1.067 640 I CB 2.671 40.779 38.000 0.180 0.000 1.233 640 I HN 0.009 nan 8.210 nan 0.000 0.431 641 P HA 0.184 nan 4.420 nan 0.000 0.275 641 P C -0.811 176.579 177.300 0.149 0.000 1.227 641 P CA -0.060 63.079 63.100 0.065 0.000 0.781 641 P CB 1.569 33.299 31.700 0.049 0.000 0.906 642 V N 1.531 121.552 119.914 0.177 0.000 3.007 642 V HA 0.874 5.099 4.120 0.175 0.000 0.311 642 V C -1.067 175.242 176.094 0.358 0.000 1.120 642 V CA -1.066 61.394 62.300 0.268 0.000 0.980 642 V CB 1.765 33.744 31.823 0.260 0.000 1.033 642 V HN 0.764 nan 8.190 nan 0.000 0.429 643 Y N 0.199 120.609 120.300 0.183 0.000 2.713 643 Y HA 1.010 5.666 4.550 0.176 0.000 0.335 643 Y C -0.365 175.640 175.900 0.175 0.000 1.222 643 Y CA -0.332 57.868 58.100 0.166 0.000 1.061 643 Y CB 1.235 39.758 38.460 0.105 0.000 1.314 643 Y HN 1.395 nan 8.280 nan 0.000 0.453 644 G N -0.051 108.844 108.800 0.158 0.000 2.559 644 G HA2 0.545 4.610 3.960 0.175 0.000 0.291 644 G HA3 0.545 4.610 3.960 0.175 0.000 0.291 644 G C -2.544 172.430 174.900 0.124 0.000 1.424 644 G CA -0.849 44.276 45.100 0.043 0.000 0.786 644 G HN 0.847 nan 8.290 nan 0.000 0.485 645 V N 0.557 120.507 119.914 0.060 0.000 2.531 645 V HA 0.504 4.730 4.120 0.175 0.000 0.301 645 V C -0.669 175.408 176.094 -0.027 0.000 1.034 645 V CA -0.699 61.626 62.300 0.043 0.000 0.865 645 V CB 1.561 33.418 31.823 0.056 0.000 0.995 645 V HN 0.748 nan 8.190 nan 0.000 0.424 646 L N 6.139 127.337 121.223 -0.041 0.000 2.282 646 L HA 0.452 4.897 4.340 0.175 0.000 0.287 646 L C 0.359 177.184 176.870 -0.074 0.000 1.075 646 L CA 0.202 54.992 54.840 -0.083 0.000 0.839 646 L CB 0.183 42.195 42.059 -0.078 0.000 1.219 646 L HN 0.540 nan 8.230 nan 0.000 0.434 647 K N 3.924 124.265 120.400 -0.097 0.000 2.355 647 K HA 0.439 4.865 4.320 0.175 0.000 0.270 647 K C 0.268 176.829 176.600 -0.065 0.000 1.003 647 K CA -0.072 56.172 56.287 -0.073 0.000 0.957 647 K CB 0.638 33.087 32.500 -0.084 0.000 0.939 647 K HN 0.792 nan 8.250 nan 0.000 0.482 648 A N 1.321 124.116 122.820 -0.043 0.000 2.531 648 A HA 0.333 4.759 4.320 0.175 0.000 0.236 648 A C 1.284 178.847 177.584 -0.035 0.000 1.062 648 A CA 0.813 52.830 52.037 -0.033 0.000 0.760 648 A CB -0.537 18.450 19.000 -0.022 0.000 0.995 648 A HN 0.952 nan 8.150 nan 0.000 0.501 649 G N 0.851 109.635 108.800 -0.027 0.000 2.199 649 G HA2 -0.164 3.901 3.960 0.175 0.000 0.254 649 G HA3 -0.164 3.901 3.960 0.175 0.000 0.254 649 G C 0.567 175.453 174.900 -0.023 0.000 0.982 649 G CA 1.302 46.390 45.100 -0.020 0.000 0.632 649 G HN 2.246 nan 8.290 nan 0.000 0.529 650 T N -2.567 111.959 114.554 -0.048 0.000 2.950 650 T HA 0.671 5.126 4.350 0.175 0.000 0.288 650 T C 1.012 175.696 174.700 -0.027 0.000 1.035 650 T CA 0.762 62.822 62.100 -0.067 0.000 1.028 650 T CB 1.901 70.656 68.868 -0.189 0.000 1.109 650 T HN 0.874 nan 8.240 nan 0.000 0.514 651 T N -2.118 112.464 114.554 0.047 0.000 3.084 651 T HA 0.330 4.785 4.350 0.175 0.000 0.270 651 T C 0.116 174.952 174.700 0.227 0.000 1.008 651 T CA -0.708 61.465 62.100 0.122 0.000 0.900 651 T CB -0.327 68.639 68.868 0.162 0.000 1.084 651 T HN 0.875 nan 8.240 nan 0.000 0.538 652 W N -0.325 120.954 121.300 -0.035 0.000 3.275 652 W HA 0.690 5.455 4.660 0.175 0.000 0.306 652 W C -2.095 174.399 176.519 -0.043 0.000 1.259 652 W CA -1.003 56.315 57.345 -0.046 0.000 1.194 652 W CB 0.881 30.312 29.460 -0.049 0.000 1.375 652 W HN -0.022 nan 8.180 nan 0.000 0.564 653 T N 1.042 115.614 114.554 0.030 0.000 2.792 653 T HA 0.630 5.085 4.350 0.175 0.000 0.303 653 T C -1.789 172.937 174.700 0.042 0.000 1.310 653 T CA -0.369 61.637 62.100 -0.156 0.000 1.007 653 T CB 1.781 70.556 68.868 -0.155 0.000 1.335 653 T HN 0.318 nan 8.240 nan 0.000 0.504 654 I N 2.575 123.120 120.570 -0.041 0.000 2.525 654 I HA 0.582 4.857 4.170 0.175 0.000 0.301 654 I C -0.485 175.689 176.117 0.095 0.000 0.992 654 I CA -0.738 60.562 61.300 -0.001 0.000 1.162 654 I CB 1.670 39.505 38.000 -0.276 0.000 1.332 654 I HN 0.444 nan 8.210 nan 0.000 0.458 655 I N 4.581 125.291 120.570 0.234 0.000 2.436 655 I HA 0.500 4.776 4.170 0.175 0.000 0.289 655 I C -0.920 175.447 176.117 0.416 0.000 1.010 655 I CA -0.492 60.981 61.300 0.289 0.000 1.098 655 I CB 1.140 39.391 38.000 0.418 0.000 1.266 655 I HN 0.731 nan 8.210 nan 0.000 0.434 656 D N 3.069 123.646 120.400 0.295 0.000 2.768 656 D HA 0.191 4.936 4.640 0.175 0.000 0.327 656 D C -0.054 176.399 176.300 0.255 0.000 1.302 656 D CA -0.487 53.796 54.000 0.471 0.000 0.897 656 D CB 0.514 41.574 40.800 0.433 0.000 1.420 656 D HN 0.349 nan 8.370 nan 0.000 0.494 657 D N -0.776 119.792 120.400 0.281 0.000 2.378 657 D HA -0.030 4.715 4.640 0.175 0.000 0.227 657 D C 0.386 176.461 176.300 -0.374 0.000 1.012 657 D CA 0.432 54.414 54.000 -0.029 0.000 0.905 657 D CB -0.468 40.254 40.800 -0.131 0.000 0.895 657 D HN 0.329 nan 8.370 nan 0.000 0.532 658 F N -0.401 119.511 119.950 -0.062 0.000 2.698 658 F HA 0.430 5.062 4.527 0.176 0.000 0.304 658 F C 1.759 177.409 175.800 -0.250 0.000 1.108 658 F CA -0.291 57.660 58.000 -0.082 0.000 1.263 658 F CB 1.004 39.951 39.000 -0.087 0.000 1.013 658 F HN 0.100 nan 8.300 nan 0.000 0.532 659 G N 0.093 108.520 108.800 -0.621 0.000 2.143 659 G HA2 0.027 4.092 3.960 0.175 0.000 0.249 659 G HA3 0.027 4.092 3.960 0.175 0.000 0.249 659 G C 0.691 175.398 174.900 -0.323 0.000 0.981 659 G CA 0.070 44.530 45.100 -1.066 0.000 0.665 659 G HN 1.259 nan 8.290 nan 0.000 0.528 660 G N -1.604 107.150 108.800 -0.076 0.000 2.956 660 G HA2 0.194 4.259 3.960 0.175 0.000 0.263 660 G HA3 0.194 4.259 3.960 0.175 0.000 0.263 660 G C -0.290 174.725 174.900 0.192 0.000 1.090 660 G CA 0.208 45.361 45.100 0.089 0.000 1.185 660 G HN 1.719 nan 8.290 nan 0.000 0.566 661 L N 1.300 122.650 121.223 0.211 0.000 2.287 661 L HA 0.731 5.176 4.340 0.175 0.000 0.287 661 L C 0.005 176.876 176.870 0.002 0.000 1.022 661 L CA -1.470 53.430 54.840 0.100 0.000 0.814 661 L CB 1.504 43.553 42.059 -0.015 0.000 1.217 661 L HN 0.359 nan 8.230 nan 0.000 0.420 662 N N 4.652 123.213 118.700 -0.232 0.000 2.408 662 N HA 0.201 5.046 4.740 0.175 0.000 0.257 662 N C 0.396 175.712 175.510 -0.324 0.000 1.064 662 N CA -0.052 52.611 53.050 -0.645 0.000 0.952 662 N CB 0.731 38.755 38.487 -0.772 0.000 1.093 662 N HN 0.768 nan 8.380 nan 0.000 0.490 663 L N 1.801 122.861 121.223 -0.272 0.000 2.599 663 L HA 0.270 4.715 4.340 0.175 0.000 0.230 663 L C 1.493 178.282 176.870 -0.136 0.000 1.141 663 L CA -0.006 54.713 54.840 -0.202 0.000 0.877 663 L CB -0.226 41.712 42.059 -0.202 0.000 1.009 663 L HN 0.540 nan 8.230 nan 0.000 0.447 664 G N -0.312 108.399 108.800 -0.150 0.000 3.194 664 G HA2 0.475 4.540 3.960 0.175 0.000 0.160 664 G HA3 0.475 4.540 3.960 0.175 0.000 0.160 664 G C -0.236 174.614 174.900 -0.083 0.000 1.267 664 G CA 0.484 45.535 45.100 -0.082 0.000 0.962 664 G HN 0.135 nan 8.290 nan 0.000 0.612 665 T N -3.258 111.261 114.554 -0.058 0.000 2.888 665 T HA 0.382 4.838 4.350 0.175 0.000 0.288 665 T C 0.572 175.257 174.700 -0.026 0.000 1.063 665 T CA 0.145 62.223 62.100 -0.036 0.000 1.010 665 T CB 2.123 70.988 68.868 -0.006 0.000 1.214 665 T HN 0.300 nan 8.240 nan 0.000 0.533 666 D N 0.271 120.671 120.400 0.001 0.000 2.104 666 D HA -0.178 4.567 4.640 0.175 0.000 0.194 666 D C 1.961 178.290 176.300 0.047 0.000 0.994 666 D CA 1.946 55.968 54.000 0.037 0.000 0.830 666 D CB -0.121 40.704 40.800 0.042 0.000 0.959 666 D HN 0.525 nan 8.370 nan 0.000 0.452 667 S N -0.918 114.801 115.700 0.032 0.000 2.368 667 S HA -0.111 4.464 4.470 0.175 0.000 0.224 667 S C 0.909 175.526 174.600 0.028 0.000 1.029 667 S CA 0.905 59.123 58.200 0.031 0.000 0.988 667 S CB 0.073 63.288 63.200 0.024 0.000 0.838 667 S HN 0.148 nan 8.310 nan 0.000 0.462 668 Q N 2.029 121.841 119.800 0.020 0.000 2.700 668 Q HA 0.434 4.880 4.340 0.175 0.000 0.249 668 Q C -2.736 173.265 176.000 0.002 0.000 1.033 668 Q CA -2.260 53.553 55.803 0.018 0.000 0.804 668 Q CB 1.695 30.447 28.738 0.023 0.000 1.164 668 Q HN 0.489 nan 8.270 nan 0.000 0.500 669 P HA 0.274 nan 4.420 nan 0.000 0.275 669 P C -0.341 176.937 177.300 -0.036 0.000 1.228 669 P CA -0.574 62.498 63.100 -0.047 0.000 0.786 669 P CB 1.350 33.082 31.700 0.054 0.000 0.927 670 I N 2.908 123.404 120.570 -0.123 0.000 2.605 670 I HA 0.298 4.574 4.170 0.175 0.000 0.276 670 I C -1.582 174.499 176.117 -0.060 0.000 1.161 670 I CA -1.207 60.077 61.300 -0.026 0.000 1.064 670 I CB 0.194 38.200 38.000 0.010 0.000 1.238 670 I HN 0.134 nan 8.210 nan 0.000 0.487 671 Y N 4.550 124.904 120.300 0.091 0.000 2.301 671 Y HA 0.433 5.088 4.550 0.176 0.000 0.328 671 Y C 0.925 176.887 175.900 0.103 0.000 1.242 671 Y CA -0.151 57.997 58.100 0.079 0.000 1.323 671 Y CB 0.964 39.484 38.460 0.101 0.000 1.266 671 Y HN 0.247 nan 8.280 nan 0.000 0.527 672 V N 3.116 123.088 119.914 0.097 0.000 2.752 672 V HA -0.180 4.045 4.120 0.175 0.000 0.306 672 V C -0.292 175.732 176.094 -0.117 0.000 1.099 672 V CA 0.396 62.570 62.300 -0.211 0.000 1.240 672 V CB -0.726 30.927 31.823 -0.283 0.000 0.887 672 V HN 0.787 nan 8.190 nan 0.000 0.499 673 W N 4.301 125.374 121.300 -0.378 0.000 2.850 673 W HA 0.765 5.530 4.660 0.175 0.000 0.349 673 W C -1.675 174.477 176.519 -0.611 0.000 1.133 673 W CA -1.921 55.199 57.345 -0.375 0.000 1.117 673 W CB 0.793 30.127 29.460 -0.210 0.000 1.442 673 W HN 0.382 nan 8.180 nan 0.000 0.575 674 W N 1.270 122.611 121.300 0.067 0.000 2.532 674 W HA 0.557 5.323 4.660 0.176 0.000 0.321 674 W C -0.672 175.916 176.519 0.116 0.000 1.037 674 W CA -0.887 56.464 57.345 0.010 0.000 1.220 674 W CB 2.190 31.606 29.460 -0.073 0.000 1.361 674 W HN 0.139 nan 8.180 nan 0.000 0.468 675 T N 6.173 120.889 114.554 0.271 0.000 2.733 675 T HA 0.521 4.976 4.350 0.175 0.000 0.294 675 T C -0.015 174.634 174.700 -0.085 0.000 0.956 675 T CA -0.442 61.755 62.100 0.162 0.000 0.987 675 T CB 0.049 69.058 68.868 0.235 0.000 0.920 675 T HN 0.319 nan 8.240 nan 0.000 0.470 676 I N -0.586 119.820 120.570 -0.273 0.000 3.145 676 I HA 0.615 4.890 4.170 0.175 0.000 0.313 676 I C -1.060 174.657 176.117 -0.666 0.000 1.122 676 I CA -1.577 59.497 61.300 -0.376 0.000 0.987 676 I CB 1.643 39.620 38.000 -0.038 0.000 1.236 676 I HN 0.462 nan 8.210 nan 0.000 0.453 677 F N 1.249 121.344 119.950 0.241 0.000 2.798 677 F HA 0.587 5.219 4.527 0.175 0.000 0.328 677 F C 1.276 177.196 175.800 0.201 0.000 1.098 677 F CA 0.365 58.531 58.000 0.276 0.000 1.172 677 F CB 0.405 39.588 39.000 0.306 0.000 1.072 677 F HN 0.984 nan 8.300 nan 0.000 0.555 678 G N 1.025 109.966 108.800 0.235 0.000 2.642 678 G HA2 -0.110 3.955 3.960 0.175 0.000 0.231 678 G HA3 -0.110 3.955 3.960 0.175 0.000 0.231 678 G C -0.829 174.181 174.900 0.182 0.000 1.338 678 G CA -0.326 44.879 45.100 0.175 0.000 0.883 678 G HN 0.371 nan 8.290 nan 0.000 0.570 679 Q N 0.000 119.884 119.800 0.141 0.000 2.315 679 Q HA 0.000 4.445 4.340 0.175 0.000 0.214 679 Q CA 0.000 55.877 55.803 0.123 0.000 1.022 679 Q CB 0.000 28.794 28.738 0.094 0.000 1.108 679 Q HN 0.000 nan 8.270 nan 0.000 0.481