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 2bm0_1_A DATA FIRST_RESID 4 DATA SEQUENCE KVEYDLKRLR NIGIAAHIDA GKTTTTERIL YYTGRIHKIA XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX TITAAVTTCF WKDHRINIID APGHVDFTIE VERSMRVLDG DATA SEQUENCE AIVVFDSSQG VEPQSETVWR QAEKYKVPRI AFANKMDKTG ADLWLVIRTM DATA SEQUENCE QERLGARPVV MQLPIGREDT FSGIIDVLRM KAYTYGNDLG TDIREIPIPE DATA SEQUENCE EYLDQAREYH EKLVEVAADF DENIMLKYLE GEEPTEEELV AAIRKGTIDL DATA SEQUENCE KITPVFLGSA LKNKGVQLLL DAVVDYLPSP LDIPPIKGTT PEGEVVEIHP DATA SEQUENCE DPNGPLAALA FKIMADPYVG RLTFIRVYSG TLTSGSYVYN TTKGRKERVA DATA SEQUENCE RLLRMHANHR EEVEELKAGD LGAVVGLKET ITGDTLVGED APRVILESIE DATA SEQUENCE VPEPVIDVAI EPKTKADQEK LSQALARLAE EDPTFRVSTH PETGQTIISG DATA SEQUENCE MGELHLEIIV DRLKREFKVD ANVGKPQVAY RETITKPVDV EGKFIRQTGG DATA SEQUENCE RGQYGHVKIK VEPLPRGSGF EFVNAIVGGV IPKEYIPAVQ KGIEEAMQSG DATA SEQUENCE PLIGFPVVDI KVTLYDGSYH EVDSSEMAFK IAGSMAIKEA VQKGDPVILE DATA SEQUENCE PIMRVEVTTP EEYMGDVIGD LNARRGQILG MEPRGNAQVI RAFVPLAEMF DATA SEQUENCE GYATDLRSKT QGRGSFVMFF DHYQEVPKQV QEKLIK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.603 176.600 0.004 0.000 0.988 4 K CA 0.000 56.287 56.287 -0.001 0.000 0.838 4 K CB 0.000 32.501 32.500 0.002 0.000 1.064 5 V N -0.272 119.646 119.914 0.008 0.000 2.901 5 V HA 0.446 4.566 4.120 0.001 0.000 0.260 5 V C -0.240 175.861 176.094 0.013 0.000 1.836 5 V CA 0.169 62.477 62.300 0.014 0.000 0.909 5 V CB 1.750 33.570 31.823 -0.006 0.000 1.378 5 V HN 1.161 nan 8.190 nan 0.000 0.442 6 E N 1.546 121.768 120.200 0.036 0.000 1.920 6 E HA 0.004 4.355 4.350 0.001 0.000 0.250 6 E C -0.810 175.843 176.600 0.090 0.000 1.075 6 E CA -0.076 56.348 56.400 0.040 0.000 1.683 6 E CB 0.231 29.961 29.700 0.051 0.000 3.768 6 E HN 0.662 nan 8.360 nan 0.000 0.959 7 Y N 3.169 123.474 120.300 0.009 0.000 2.531 7 Y HA 0.326 4.877 4.550 0.001 0.000 0.347 7 Y C -0.991 174.905 175.900 -0.007 0.000 1.024 7 Y CA 0.273 58.379 58.100 0.010 0.000 1.306 7 Y CB 0.501 38.966 38.460 0.007 0.000 1.149 7 Y HN -0.084 nan 8.280 nan 0.000 0.527 8 D N 5.427 125.507 120.400 -0.533 0.000 2.757 8 D HA 0.169 4.809 4.640 0.001 0.000 0.249 8 D C 0.268 176.163 176.300 -0.674 0.000 1.168 8 D CA -0.502 53.153 54.000 -0.575 0.000 0.870 8 D CB 1.571 42.203 40.800 -0.282 0.000 1.411 8 D HN 0.730 nan 8.370 nan 0.000 0.525 9 L N 3.064 123.899 121.223 -0.648 0.000 2.056 9 L HA -0.081 4.260 4.340 0.001 0.000 0.207 9 L C 1.967 178.703 176.870 -0.222 0.000 1.078 9 L CA 1.051 55.662 54.840 -0.382 0.000 0.749 9 L CB 0.016 41.969 42.059 -0.178 0.000 0.901 9 L HN 0.447 nan 8.230 nan 0.000 0.433 10 K N -0.516 119.767 120.400 -0.195 0.000 2.211 10 K HA -0.166 4.154 4.320 0.001 0.000 0.204 10 K C 1.787 178.266 176.600 -0.203 0.000 1.047 10 K CA 1.154 57.353 56.287 -0.145 0.000 0.935 10 K CB 0.019 32.447 32.500 -0.121 0.000 0.728 10 K HN 0.260 nan 8.250 nan 0.000 0.452 11 R N 0.069 120.384 120.500 -0.309 0.000 2.359 11 R HA 0.103 4.444 4.340 0.001 0.000 0.231 11 R C -0.283 175.874 176.300 -0.239 0.000 0.913 11 R CA -0.243 55.555 56.100 -0.503 0.000 1.075 11 R CB 0.290 30.257 30.300 -0.555 0.000 1.087 11 R HN -0.008 nan 8.270 nan 0.000 0.515 12 L N 0.855 121.993 121.223 -0.142 0.000 2.395 12 L HA 0.266 4.607 4.340 0.001 0.000 0.269 12 L C -0.035 176.833 176.870 -0.003 0.000 1.133 12 L CA 0.082 54.889 54.840 -0.055 0.000 0.812 12 L CB 1.151 43.175 42.059 -0.059 0.000 1.125 12 L HN -0.067 nan 8.230 nan 0.000 0.452 13 R N 2.619 123.128 120.500 0.014 0.000 2.721 13 R HA 0.315 4.656 4.340 0.001 0.000 0.272 13 R C -1.029 175.259 176.300 -0.020 0.000 1.721 13 R CA -0.329 55.783 56.100 0.020 0.000 1.325 13 R CB 0.289 30.629 30.300 0.067 0.000 1.271 13 R HN 0.538 nan 8.270 nan 0.000 0.556 14 N N 4.555 123.233 118.700 -0.036 0.000 2.408 14 N HA 0.259 4.999 4.740 0.001 0.000 0.257 14 N C -0.150 175.321 175.510 -0.066 0.000 1.064 14 N CA -0.038 52.974 53.050 -0.064 0.000 0.952 14 N CB 1.107 39.543 38.487 -0.084 0.000 1.093 14 N HN 0.558 nan 8.380 nan 0.000 0.490 15 I N -2.041 118.484 120.570 -0.074 0.000 3.002 15 I HA 0.881 5.051 4.170 0.001 0.000 0.310 15 I C -0.141 175.925 176.117 -0.085 0.000 1.087 15 I CA -1.124 60.132 61.300 -0.073 0.000 1.017 15 I CB 2.440 40.398 38.000 -0.070 0.000 1.226 15 I HN 0.311 nan 8.210 nan 0.000 0.443 16 G N 3.936 112.688 108.800 -0.079 0.000 2.591 16 G HA2 0.667 4.628 3.960 0.001 0.000 0.306 16 G HA3 0.667 4.628 3.960 0.001 0.000 0.306 16 G C -1.456 173.405 174.900 -0.065 0.000 1.334 16 G CA -0.630 44.422 45.100 -0.078 0.000 0.981 16 G HN 0.501 nan 8.290 nan 0.000 0.491 17 I N 1.744 122.277 120.570 -0.062 0.000 2.325 17 I HA 0.510 4.681 4.170 0.001 0.000 0.291 17 I C 0.643 176.734 176.117 -0.043 0.000 1.019 17 I CA -0.098 61.172 61.300 -0.050 0.000 1.302 17 I CB 1.773 39.742 38.000 -0.050 0.000 1.401 17 I HN 0.548 nan 8.210 nan 0.000 0.485 18 A N 5.801 128.597 122.820 -0.041 0.000 2.304 18 A HA 0.949 5.269 4.320 0.001 0.000 0.314 18 A C -0.540 177.010 177.584 -0.057 0.000 1.187 18 A CA -0.371 51.642 52.037 -0.040 0.000 0.810 18 A CB 0.895 19.873 19.000 -0.037 0.000 1.183 18 A HN 0.802 nan 8.150 nan 0.000 0.487 19 A N 1.951 124.747 122.820 -0.041 0.000 2.574 19 A HA 0.641 4.962 4.320 0.001 0.000 0.297 19 A C -0.494 177.098 177.584 0.014 0.000 1.062 19 A CA -0.583 51.429 52.037 -0.042 0.000 0.686 19 A CB 0.596 19.581 19.000 -0.025 0.000 1.285 19 A HN 1.001 nan 8.150 nan 0.000 0.403 20 H N 1.101 120.146 119.070 -0.042 0.000 2.929 20 H HA 0.137 4.693 4.556 0.001 0.000 0.358 20 H C 0.169 175.500 175.328 0.004 0.000 1.111 20 H CA 0.920 56.969 56.048 0.002 0.000 1.409 20 H CB 0.517 30.292 29.762 0.023 0.000 1.373 20 H HN 0.690 nan 8.280 nan 0.000 0.610 21 I N 3.229 123.502 120.570 -0.495 0.000 2.775 21 I HA -0.208 3.962 4.170 0.001 0.000 0.290 21 I C 0.711 176.782 176.117 -0.076 0.000 1.203 21 I CA 1.160 62.306 61.300 -0.255 0.000 1.433 21 I CB 0.079 37.916 38.000 -0.272 0.000 1.354 21 I HN 0.961 nan 8.210 nan 0.000 0.579 22 D N 3.156 123.547 120.400 -0.015 0.000 3.006 22 D HA -0.225 4.415 4.640 0.001 0.000 0.205 22 D C 1.060 177.395 176.300 0.059 0.000 1.075 22 D CA 1.239 55.257 54.000 0.031 0.000 1.000 22 D CB -1.023 39.806 40.800 0.048 0.000 1.097 22 D HN 0.710 nan 8.370 nan 0.000 0.426 23 A N -0.005 122.857 122.820 0.070 0.000 1.970 23 A HA 0.486 4.806 4.320 0.001 0.000 0.216 23 A C 1.942 179.559 177.584 0.055 0.000 1.170 23 A CA 1.872 53.952 52.037 0.072 0.000 0.645 23 A CB 0.043 19.087 19.000 0.074 0.000 0.816 23 A HN 1.215 nan 8.150 nan 0.000 0.447 24 G N -0.852 107.976 108.800 0.048 0.000 2.207 24 G HA2 -0.120 3.841 3.960 0.001 0.000 0.193 24 G HA3 -0.120 3.841 3.960 0.001 0.000 0.193 24 G C 0.642 175.574 174.900 0.054 0.000 1.050 24 G CA 0.667 45.801 45.100 0.057 0.000 0.780 24 G HN 0.496 nan 8.290 nan 0.000 0.504 25 K N -0.029 120.387 120.400 0.026 0.000 2.009 25 K HA -0.085 4.235 4.320 0.001 0.000 0.210 25 K C 2.351 178.950 176.600 -0.002 0.000 1.049 25 K CA 2.298 58.589 56.287 0.007 0.000 0.929 25 K CB -0.283 32.208 32.500 -0.014 0.000 0.714 25 K HN 0.198 nan 8.250 nan 0.000 0.440 26 T N 0.298 114.849 114.554 -0.004 0.000 2.737 26 T HA -0.088 4.262 4.350 0.001 0.000 0.265 26 T C 1.774 176.474 174.700 -0.000 0.000 1.038 26 T CA 1.844 63.938 62.100 -0.010 0.000 1.144 26 T CB -0.372 68.488 68.868 -0.014 0.000 0.866 26 T HN 0.398 nan 8.240 nan 0.000 0.434 27 T N 1.635 116.196 114.554 0.012 0.000 2.746 27 T HA -0.105 4.246 4.350 0.001 0.000 0.267 27 T C 2.224 176.941 174.700 0.028 0.000 1.039 27 T CA 1.546 63.659 62.100 0.021 0.000 1.142 27 T CB -0.623 68.266 68.868 0.034 0.000 0.866 27 T HN 0.365 nan 8.240 nan 0.000 0.444 28 T N 1.630 116.205 114.554 0.035 0.000 2.867 28 T HA -0.080 4.270 4.350 0.001 0.000 0.268 28 T C 2.262 176.940 174.700 -0.038 0.000 1.057 28 T CA 1.401 63.505 62.100 0.008 0.000 1.136 28 T CB -0.491 68.386 68.868 0.016 0.000 0.874 28 T HN 0.398 nan 8.240 nan 0.000 0.466 29 T N 1.517 116.054 114.554 -0.029 0.000 2.812 29 T HA -0.054 4.296 4.350 0.001 0.000 0.264 29 T C 1.921 176.612 174.700 -0.014 0.000 1.042 29 T CA 0.838 62.915 62.100 -0.039 0.000 1.140 29 T CB -0.152 68.694 68.868 -0.036 0.000 0.870 29 T HN 0.384 nan 8.240 nan 0.000 0.445 30 E N 1.077 121.278 120.200 0.002 0.000 2.077 30 E HA -0.169 4.182 4.350 0.001 0.000 0.193 30 E C 2.344 178.974 176.600 0.050 0.000 0.989 30 E CA 0.911 57.323 56.400 0.020 0.000 0.800 30 E CB 0.059 29.763 29.700 0.006 0.000 0.746 30 E HN 0.240 nan 8.360 nan 0.000 0.452 31 R N 0.132 120.664 120.500 0.054 0.000 2.093 31 R HA 0.019 4.359 4.340 0.001 0.000 0.224 31 R C 2.528 178.944 176.300 0.194 0.000 1.101 31 R CA 0.434 56.609 56.100 0.126 0.000 0.979 31 R CB -0.522 29.861 30.300 0.139 0.000 0.877 31 R HN 0.319 nan 8.270 nan 0.000 0.441 32 I N 0.783 121.381 120.570 0.046 0.000 2.264 32 I HA -0.280 3.890 4.170 0.001 0.000 0.248 32 I C 1.801 177.922 176.117 0.008 0.000 1.111 32 I CA 0.964 62.235 61.300 -0.048 0.000 1.382 32 I CB -0.118 37.797 38.000 -0.141 0.000 1.060 32 I HN 0.036 nan 8.210 nan 0.000 0.418 33 L N -0.639 120.610 121.223 0.042 0.000 2.240 33 L HA -0.181 4.160 4.340 0.001 0.000 0.211 33 L C 2.236 179.165 176.870 0.099 0.000 1.106 33 L CA 1.643 56.521 54.840 0.064 0.000 0.793 33 L CB -1.248 40.846 42.059 0.058 0.000 0.927 33 L HN 0.291 nan 8.230 nan 0.000 0.446 34 Y N -1.191 119.098 120.300 -0.019 0.000 2.176 34 Y HA -0.232 4.319 4.550 0.001 0.000 0.291 34 Y C 2.473 178.341 175.900 -0.053 0.000 1.122 34 Y CA 1.428 59.480 58.100 -0.080 0.000 1.128 34 Y CB -0.605 37.729 38.460 -0.209 0.000 1.005 34 Y HN 0.139 nan 8.280 nan 0.000 0.509 35 Y N 0.784 120.959 120.300 -0.208 0.000 2.181 35 Y HA -0.244 4.307 4.550 0.001 0.000 0.288 35 Y C 2.851 178.738 175.900 -0.022 0.000 1.146 35 Y CA 2.195 60.158 58.100 -0.228 0.000 1.164 35 Y CB -0.747 37.639 38.460 -0.123 0.000 0.982 35 Y HN 0.301 nan 8.280 nan 0.000 0.515 36 T N -3.510 111.149 114.554 0.175 0.000 2.915 36 T HA -0.077 4.273 4.350 0.001 0.000 0.269 36 T C 1.957 176.800 174.700 0.238 0.000 1.071 36 T CA 1.077 63.360 62.100 0.305 0.000 1.132 36 T CB -0.703 68.302 68.868 0.229 0.000 0.878 36 T HN 0.377 nan 8.240 nan 0.000 0.479 37 G N 0.323 109.184 108.800 0.101 0.000 3.141 37 G HA2 0.154 4.114 3.960 0.001 0.000 0.218 37 G HA3 0.154 4.114 3.960 0.001 0.000 0.218 37 G C 1.611 176.506 174.900 -0.008 0.000 1.170 37 G CA -0.460 44.705 45.100 0.107 0.000 0.769 37 G HN 0.430 nan 8.290 nan 0.000 0.546 38 R N -0.151 120.285 120.500 -0.107 0.000 2.062 38 R HA 0.147 4.488 4.340 0.001 0.000 0.229 38 R C 2.265 178.496 176.300 -0.115 0.000 1.128 38 R CA 0.773 56.783 56.100 -0.149 0.000 0.960 38 R CB -0.226 29.962 30.300 -0.187 0.000 0.855 38 R HN 0.333 nan 8.270 nan 0.000 0.432 39 I N 0.053 120.513 120.570 -0.183 0.000 2.286 39 I HA -0.232 3.938 4.170 0.001 0.000 0.248 39 I C 0.469 176.418 176.117 -0.280 0.000 1.115 39 I CA 1.272 62.393 61.300 -0.298 0.000 1.392 39 I CB -0.170 37.537 38.000 -0.488 0.000 1.065 39 I HN 0.249 nan 8.210 nan 0.000 0.418 40 H N 0.613 119.699 119.070 0.026 0.000 2.553 40 H HA 0.301 4.858 4.556 0.001 0.000 0.222 40 H C 0.834 176.151 175.328 -0.018 0.000 1.779 40 H CA 0.074 56.135 56.048 0.021 0.000 1.241 40 H CB 0.106 29.924 29.762 0.093 0.000 1.647 40 H HN 0.203 nan 8.280 nan 0.000 0.523 41 K N 0.478 120.898 120.400 0.033 0.000 2.937 41 K HA 0.381 4.702 4.320 0.001 0.000 0.194 41 K C 0.653 177.242 176.600 -0.018 0.000 1.589 41 K CA 0.535 56.815 56.287 -0.011 0.000 1.303 41 K CB -0.194 32.294 32.500 -0.019 0.000 1.864 41 K HN 0.187 nan 8.250 nan 0.000 0.608 42 I N 2.142 122.700 120.570 -0.019 0.000 2.276 42 I HA 0.770 4.940 4.170 0.001 0.000 0.290 42 I C 0.898 177.007 176.117 -0.013 0.000 1.109 42 I CA -0.767 60.522 61.300 -0.018 0.000 1.229 42 I CB -1.267 36.721 38.000 -0.021 0.000 1.452 42 I HN 1.754 nan 8.210 nan 0.000 0.497 65 I N 2.841 123.443 120.570 0.053 0.000 2.598 65 I HA 0.340 4.511 4.170 0.001 0.000 0.284 65 I C 0.978 177.101 176.117 0.010 0.000 1.140 65 I CA -0.062 61.259 61.300 0.034 0.000 1.420 65 I CB 0.741 38.767 38.000 0.044 0.000 1.387 65 I HN 0.598 nan 8.210 nan 0.000 0.553 66 T N 5.220 119.767 114.554 -0.011 0.000 2.922 66 T HA 0.655 5.005 4.350 0.001 0.000 0.285 66 T C 0.249 174.919 174.700 -0.050 0.000 1.005 66 T CA -0.712 61.373 62.100 -0.026 0.000 1.061 66 T CB 1.527 70.369 68.868 -0.043 0.000 1.007 66 T HN 0.714 nan 8.240 nan 0.000 0.502 67 A N 1.018 123.800 122.820 -0.064 0.000 2.264 67 A HA 0.750 5.070 4.320 0.001 0.000 0.304 67 A C 1.656 179.034 177.584 -0.342 0.000 1.100 67 A CA -0.253 51.697 52.037 -0.145 0.000 0.839 67 A CB 0.029 19.038 19.000 0.014 0.000 1.121 67 A HN 0.989 nan 8.150 nan 0.000 0.496 68 A N 0.255 122.599 122.820 -0.792 0.000 1.948 68 A HA 0.179 4.499 4.320 0.001 0.000 0.220 68 A C 1.045 178.410 177.584 -0.366 0.000 1.177 68 A CA 2.260 53.858 52.037 -0.732 0.000 0.636 68 A CB -0.587 17.643 19.000 -1.283 0.000 0.815 68 A HN 1.893 nan 8.150 nan 0.000 0.449 69 V N -0.434 119.278 119.914 -0.335 0.000 2.686 69 V HA 0.601 4.721 4.120 0.001 0.000 0.306 69 V C -1.213 174.875 176.094 -0.010 0.000 1.065 69 V CA -0.272 62.009 62.300 -0.033 0.000 0.894 69 V CB 2.159 34.067 31.823 0.142 0.000 1.004 69 V HN 0.193 nan 8.190 nan 0.000 0.424 70 T N 4.882 119.401 114.554 -0.059 0.000 2.815 70 T HA 0.399 4.750 4.350 0.001 0.000 0.289 70 T C -0.147 174.461 174.700 -0.153 0.000 1.000 70 T CA -0.136 61.911 62.100 -0.088 0.000 0.958 70 T CB 1.230 70.059 68.868 -0.064 0.000 0.944 70 T HN 0.845 nan 8.240 nan 0.000 0.442 71 T N 2.135 116.524 114.554 -0.274 0.000 2.899 71 T HA 0.659 5.009 4.350 0.001 0.000 0.284 71 T C 0.104 174.570 174.700 -0.390 0.000 1.004 71 T CA -0.318 61.557 62.100 -0.376 0.000 1.043 71 T CB 0.000 68.565 68.868 -0.505 0.000 1.013 71 T HN 1.018 nan 8.240 nan 0.000 0.518 72 C N 1.779 120.823 119.300 -0.427 0.000 3.259 72 C HA 0.775 5.235 4.460 0.001 0.000 0.344 72 C C -1.903 172.839 174.990 -0.412 0.000 1.401 72 C CA -1.464 57.377 59.018 -0.295 0.000 1.219 72 C CB -0.036 27.683 27.740 -0.035 0.000 1.521 72 C HN 0.768 nan 8.230 nan 0.000 0.455 73 F N 0.690 120.796 119.950 0.261 0.000 2.565 73 F HA 0.766 5.293 4.527 0.001 0.000 0.313 73 F C -0.469 175.579 175.800 0.413 0.000 1.091 73 F CA -0.376 57.807 58.000 0.305 0.000 0.915 73 F CB 1.808 41.020 39.000 0.354 0.000 1.208 73 F HN 0.877 nan 8.300 nan 0.000 0.453 74 W N 4.940 126.413 121.300 0.289 0.000 3.036 74 W HA 0.254 4.915 4.660 0.001 0.000 0.337 74 W C -0.892 175.683 176.519 0.093 0.000 1.055 74 W CA -1.133 56.286 57.345 0.123 0.000 1.248 74 W CB 1.548 31.020 29.460 0.021 0.000 1.335 74 W HN 0.605 nan 8.180 nan 0.000 0.446 75 K N 5.783 125.945 120.400 -0.396 0.000 3.278 75 K HA -0.247 4.074 4.320 0.001 0.000 0.270 75 K C -0.219 176.370 176.600 -0.017 0.000 0.955 75 K CA 1.570 57.644 56.287 -0.355 0.000 0.723 75 K CB -1.077 31.099 32.500 -0.539 0.000 1.382 75 K HN 0.699 nan 8.250 nan 0.000 0.461 76 D N -1.425 119.026 120.400 0.085 0.000 3.090 76 D HA -0.164 4.477 4.640 0.001 0.000 0.215 76 D C -0.197 176.284 176.300 0.300 0.000 1.140 76 D CA 1.288 55.382 54.000 0.157 0.000 0.937 76 D CB -1.031 39.826 40.800 0.095 0.000 1.108 76 D HN 0.656 nan 8.370 nan 0.000 0.420 77 H N -0.189 118.983 119.070 0.170 0.000 2.572 77 H HA 0.430 4.986 4.556 0.001 0.000 0.359 77 H C 0.338 175.851 175.328 0.307 0.000 1.134 77 H CA -0.815 55.342 56.048 0.182 0.000 1.187 77 H CB 2.099 31.935 29.762 0.123 0.000 1.597 77 H HN -0.126 nan 8.280 nan 0.000 0.524 78 R N 3.442 124.124 120.500 0.303 0.000 2.221 78 R HA 0.315 4.656 4.340 0.001 0.000 0.327 78 R C -0.938 175.373 176.300 0.018 0.000 1.033 78 R CA -0.461 55.705 56.100 0.110 0.000 0.887 78 R CB 0.267 30.606 30.300 0.065 0.000 1.057 78 R HN 0.514 nan 8.270 nan 0.000 0.455 79 I N 4.742 125.276 120.570 -0.060 0.000 2.354 79 I HA 0.192 4.362 4.170 0.001 0.000 0.286 79 I C -0.452 175.590 176.117 -0.124 0.000 1.007 79 I CA -0.782 60.483 61.300 -0.059 0.000 1.167 79 I CB 1.457 39.436 38.000 -0.035 0.000 1.320 79 I HN 0.478 nan 8.210 nan 0.000 0.458 80 N N 7.914 126.552 118.700 -0.103 0.000 2.420 80 N HA 0.374 5.115 4.740 0.001 0.000 0.249 80 N C -0.450 175.005 175.510 -0.092 0.000 1.033 80 N CA -0.178 52.809 53.050 -0.106 0.000 0.944 80 N CB 1.599 40.036 38.487 -0.083 0.000 1.113 80 N HN 0.478 nan 8.380 nan 0.000 0.502 81 I N 3.625 124.139 120.570 -0.093 0.000 2.281 81 I HA 0.200 4.370 4.170 0.001 0.000 0.293 81 I C 0.198 176.269 176.117 -0.077 0.000 1.085 81 I CA -0.603 60.646 61.300 -0.086 0.000 1.257 81 I CB 0.303 38.252 38.000 -0.085 0.000 1.430 81 I HN 0.225 nan 8.210 nan 0.000 0.489 82 I N 6.518 127.038 120.570 -0.083 0.000 2.396 82 I HA 0.168 4.338 4.170 0.001 0.000 0.289 82 I C 0.181 176.254 176.117 -0.073 0.000 1.056 82 I CA 0.765 62.017 61.300 -0.079 0.000 1.365 82 I CB 0.385 38.299 38.000 -0.144 0.000 1.407 82 I HN 0.564 nan 8.210 nan 0.000 0.509 83 D N 3.883 124.247 120.400 -0.061 0.000 3.009 83 D HA 0.846 5.487 4.640 0.001 0.000 0.318 83 D C -0.065 176.197 176.300 -0.063 0.000 1.273 83 D CA 0.182 54.144 54.000 -0.063 0.000 1.001 83 D CB 1.606 42.362 40.800 -0.073 0.000 1.411 83 D HN 0.401 nan 8.370 nan 0.000 0.577 84 A N -1.509 121.266 122.820 -0.076 0.000 2.552 84 A HA 0.101 4.421 4.320 0.001 0.000 0.217 84 A C -2.385 175.156 177.584 -0.072 0.000 2.789 84 A CA 0.073 52.052 52.037 -0.097 0.000 1.616 84 A CB -1.612 17.297 19.000 -0.151 0.000 0.181 84 A HN 0.454 nan 8.150 nan 0.000 0.542 85 P HA 0.415 nan 4.420 nan 0.000 0.271 85 P C 0.824 178.085 177.300 -0.066 0.000 1.216 85 P CA 1.845 64.927 63.100 -0.031 0.000 0.776 85 P CB 0.416 32.119 31.700 0.004 0.000 0.881 86 G N 1.647 110.339 108.800 -0.180 0.000 2.372 86 G HA2 -0.203 3.758 3.960 0.001 0.000 0.297 86 G HA3 -0.203 3.758 3.960 0.001 0.000 0.297 86 G C -0.336 174.703 174.900 0.231 0.000 1.005 86 G CA 0.190 45.138 45.100 -0.253 0.000 1.173 86 G HN 0.763 nan 8.290 nan 0.000 0.511 87 H N -1.969 117.216 119.070 0.192 0.000 2.927 87 H HA 0.687 5.244 4.556 0.001 0.000 0.316 87 H C 0.756 176.141 175.328 0.096 0.000 1.403 87 H CA -0.398 55.729 56.048 0.132 0.000 1.288 87 H CB 1.658 31.506 29.762 0.143 0.000 1.944 87 H HN 0.707 nan 8.280 nan 0.000 0.629 88 V N 1.959 121.967 119.914 0.157 0.000 6.356 88 V HA -0.246 3.874 4.120 0.001 0.000 0.325 88 V C -0.374 175.818 176.094 0.163 0.000 0.504 88 V CA 1.443 63.833 62.300 0.149 0.000 0.668 88 V CB -1.801 30.093 31.823 0.118 0.000 0.306 88 V HN 1.089 nan 8.190 nan 0.000 0.878 89 D N -2.074 118.383 120.400 0.094 0.000 2.330 89 D HA -0.195 4.445 4.640 0.001 0.000 0.168 89 D C 0.172 176.492 176.300 0.033 0.000 0.992 89 D CA 1.596 55.601 54.000 0.009 0.000 1.025 89 D CB -1.077 39.686 40.800 -0.061 0.000 1.089 89 D HN 0.695 nan 8.370 nan 0.000 0.487 90 F N 1.950 121.902 119.950 0.002 0.000 2.541 90 F HA 0.143 4.670 4.527 0.001 0.000 0.347 90 F C 2.011 177.804 175.800 -0.010 0.000 1.242 90 F CA 0.617 58.611 58.000 -0.010 0.000 1.123 90 F CB 0.455 39.489 39.000 0.055 0.000 1.354 90 F HN 0.016 nan 8.300 nan 0.000 0.621 91 T N 1.571 116.287 114.554 0.270 0.000 2.867 91 T HA -0.194 4.156 4.350 0.001 0.000 0.268 91 T C 1.960 176.761 174.700 0.168 0.000 1.057 91 T CA 0.967 63.156 62.100 0.148 0.000 1.136 91 T CB -0.225 68.648 68.868 0.008 0.000 0.874 91 T HN 0.598 nan 8.240 nan 0.000 0.466 92 I N 1.213 121.895 120.570 0.187 0.000 2.091 92 I HA -0.171 3.999 4.170 0.001 0.000 0.239 92 I C 3.120 179.192 176.117 -0.076 0.000 1.061 92 I CA 1.730 63.050 61.300 0.035 0.000 1.317 92 I CB -0.347 37.599 38.000 -0.090 0.000 1.031 92 I HN 0.253 nan 8.210 nan 0.000 0.401 93 E N 0.246 120.328 120.200 -0.197 0.000 2.204 93 E HA -0.143 4.207 4.350 0.001 0.000 0.194 93 E C 2.252 178.821 176.600 -0.051 0.000 0.989 93 E CA 1.039 57.352 56.400 -0.145 0.000 0.824 93 E CB 0.172 29.759 29.700 -0.189 0.000 0.756 93 E HN 0.345 nan 8.360 nan 0.000 0.477 94 V N 0.850 120.759 119.914 -0.009 0.000 2.331 94 V HA -0.217 3.904 4.120 0.001 0.000 0.242 94 V C 2.426 178.440 176.094 -0.134 0.000 1.034 94 V CA 1.872 64.159 62.300 -0.023 0.000 1.027 94 V CB -0.431 31.423 31.823 0.052 0.000 0.667 94 V HN 0.243 nan 8.190 nan 0.000 0.457 95 E N 1.230 121.369 120.200 -0.101 0.000 2.048 95 E HA -0.324 4.027 4.350 0.001 0.000 0.202 95 E C 2.317 178.701 176.600 -0.361 0.000 1.021 95 E CA 2.358 58.583 56.400 -0.292 0.000 0.825 95 E CB -0.439 29.281 29.700 0.033 0.000 0.756 95 E HN 0.414 nan 8.360 nan 0.000 0.454 96 R N -0.117 120.288 120.500 -0.158 0.000 2.096 96 R HA -0.098 4.242 4.340 0.001 0.000 0.235 96 R C 2.543 178.739 176.300 -0.174 0.000 1.127 96 R CA 1.601 57.635 56.100 -0.110 0.000 0.968 96 R CB -0.326 29.973 30.300 -0.002 0.000 0.861 96 R HN 0.451 nan 8.270 nan 0.000 0.440 97 S N -0.549 115.048 115.700 -0.172 0.000 2.481 97 S HA -0.069 4.401 4.470 0.001 0.000 0.231 97 S C 1.903 176.337 174.600 -0.277 0.000 0.996 97 S CA 0.631 58.699 58.200 -0.220 0.000 0.942 97 S CB 0.048 63.180 63.200 -0.115 0.000 0.768 97 S HN 0.192 nan 8.310 nan 0.000 0.520 98 M N 1.328 120.731 119.600 -0.328 0.000 2.287 98 M HA 0.189 4.670 4.480 0.001 0.000 0.266 98 M C 2.325 178.464 176.300 -0.269 0.000 1.079 98 M CA 0.916 56.011 55.300 -0.342 0.000 1.146 98 M CB -0.900 31.336 32.600 -0.607 0.000 1.374 98 M HN 0.363 nan 8.290 nan 0.000 0.435 99 R N -0.526 119.807 120.500 -0.279 0.000 2.152 99 R HA -0.064 4.276 4.340 0.001 0.000 0.232 99 R C 2.156 178.436 176.300 -0.034 0.000 1.117 99 R CA 0.844 56.877 56.100 -0.111 0.000 0.981 99 R CB -0.199 30.049 30.300 -0.086 0.000 0.870 99 R HN 0.167 nan 8.270 nan 0.000 0.451 100 V N 1.355 121.150 119.914 -0.198 0.000 2.725 100 V HA -0.011 4.109 4.120 0.001 0.000 0.247 100 V C 0.681 176.592 176.094 -0.305 0.000 1.058 100 V CA 0.586 62.682 62.300 -0.339 0.000 1.080 100 V CB -0.019 31.298 31.823 -0.843 0.000 0.713 100 V HN 0.132 nan 8.190 nan 0.000 0.465 101 L N -2.342 118.736 121.223 -0.241 0.000 2.439 101 L HA 0.575 4.916 4.340 0.001 0.000 0.259 101 L C 0.658 177.472 176.870 -0.093 0.000 1.129 101 L CA 0.305 55.047 54.840 -0.164 0.000 0.803 101 L CB 0.049 42.020 42.059 -0.148 0.000 1.161 101 L HN -0.160 nan 8.230 nan 0.000 0.462 102 D N -0.080 120.280 120.400 -0.066 0.000 2.431 102 D HA 0.290 4.930 4.640 0.001 0.000 0.227 102 D C 0.550 176.837 176.300 -0.022 0.000 1.030 102 D CA 0.931 54.914 54.000 -0.028 0.000 0.897 102 D CB 1.045 41.834 40.800 -0.018 0.000 1.058 102 D HN 0.806 nan 8.370 nan 0.000 0.500 103 G N -0.448 108.333 108.800 -0.033 0.000 2.690 103 G HA2 0.654 4.615 3.960 0.001 0.000 0.291 103 G HA3 0.654 4.615 3.960 0.001 0.000 0.291 103 G C -1.674 173.205 174.900 -0.036 0.000 1.403 103 G CA -0.287 44.800 45.100 -0.023 0.000 0.864 103 G HN 0.152 nan 8.290 nan 0.000 0.480 104 A N -0.019 122.785 122.820 -0.028 0.000 2.498 104 A HA 0.822 5.143 4.320 0.001 0.000 0.298 104 A C -1.011 176.572 177.584 -0.001 0.000 1.075 104 A CA -0.633 51.385 52.037 -0.032 0.000 0.714 104 A CB 1.317 20.287 19.000 -0.051 0.000 1.299 104 A HN 0.697 nan 8.150 nan 0.000 0.407 105 I N 1.829 122.395 120.570 -0.006 0.000 2.330 105 I HA 0.338 4.508 4.170 0.001 0.000 0.289 105 I C -0.743 175.396 176.117 0.036 0.000 1.001 105 I CA -0.790 60.529 61.300 0.031 0.000 1.193 105 I CB 1.735 39.721 38.000 -0.023 0.000 1.345 105 I HN 0.283 nan 8.210 nan 0.000 0.461 106 V N 7.586 127.550 119.914 0.083 0.000 2.348 106 V HA 0.230 4.351 4.120 0.001 0.000 0.270 106 V C 0.213 176.267 176.094 -0.066 0.000 1.037 106 V CA -0.615 61.672 62.300 -0.022 0.000 0.872 106 V CB 1.441 33.291 31.823 0.046 0.000 1.002 106 V HN 0.383 nan 8.190 nan 0.000 0.464 107 V N 6.318 126.168 119.914 -0.107 0.000 2.406 107 V HA 0.440 4.561 4.120 0.001 0.000 0.272 107 V C -0.290 175.681 176.094 -0.206 0.000 1.043 107 V CA -0.258 62.048 62.300 0.011 0.000 0.915 107 V CB 0.923 32.817 31.823 0.117 0.000 0.988 107 V HN 0.616 nan 8.190 nan 0.000 0.466 108 F N 2.232 122.221 119.950 0.066 0.000 2.450 108 F HA 0.386 4.913 4.527 0.001 0.000 0.332 108 F C 0.511 176.286 175.800 -0.042 0.000 1.093 108 F CA -0.842 57.165 58.000 0.012 0.000 1.003 108 F CB 1.228 40.211 39.000 -0.029 0.000 1.151 108 F HN 0.408 nan 8.300 nan 0.000 0.474 109 D N 1.522 122.013 120.400 0.152 0.000 2.338 109 D HA 0.068 4.708 4.640 0.001 0.000 0.255 109 D C 0.869 177.178 176.300 0.014 0.000 1.237 109 D CA 0.406 54.439 54.000 0.055 0.000 0.883 109 D CB 1.220 42.053 40.800 0.055 0.000 1.087 109 D HN 0.453 nan 8.370 nan 0.000 0.485 110 S N 1.886 117.550 115.700 -0.062 0.000 2.419 110 S HA -0.160 4.311 4.470 0.001 0.000 0.235 110 S C 1.805 176.350 174.600 -0.091 0.000 1.019 110 S CA 1.412 59.542 58.200 -0.116 0.000 0.982 110 S CB 0.034 63.115 63.200 -0.198 0.000 0.789 110 S HN 0.676 nan 8.310 nan 0.000 0.490 111 S N -0.029 115.633 115.700 -0.064 0.000 2.517 111 S HA 0.164 4.634 4.470 0.001 0.000 0.214 111 S C 0.580 175.165 174.600 -0.026 0.000 0.991 111 S CA -0.287 57.885 58.200 -0.046 0.000 0.906 111 S CB -0.133 63.044 63.200 -0.038 0.000 0.789 111 S HN 0.427 nan 8.310 nan 0.000 0.513 112 Q N 1.662 121.452 119.800 -0.016 0.000 2.323 112 Q HA 0.503 4.843 4.340 0.001 0.000 0.257 112 Q C 1.228 177.214 176.000 -0.024 0.000 1.022 112 Q CA 0.027 55.824 55.803 -0.011 0.000 0.919 112 Q CB 0.515 29.253 28.738 0.001 0.000 1.220 112 Q HN 0.393 nan 8.270 nan 0.000 0.427 113 G N 3.432 112.217 108.800 -0.025 0.000 2.808 113 G HA2 -0.301 3.659 3.960 0.001 0.000 0.211 113 G HA3 -0.301 3.659 3.960 0.001 0.000 0.211 113 G C 1.255 176.134 174.900 -0.035 0.000 1.364 113 G CA 1.063 46.145 45.100 -0.029 0.000 0.824 113 G HN 0.702 nan 8.290 nan 0.000 0.630 114 V N 0.795 120.689 119.914 -0.032 0.000 2.255 114 V HA -0.012 4.108 4.120 0.001 0.000 0.247 114 V C 1.574 177.642 176.094 -0.044 0.000 1.051 114 V CA 3.444 65.724 62.300 -0.034 0.000 1.018 114 V CB -0.811 30.996 31.823 -0.027 0.000 0.641 114 V HN 1.055 nan 8.190 nan 0.000 0.445 115 E N -0.447 119.714 120.200 -0.064 0.000 2.340 115 E HA -0.205 4.145 4.350 0.001 0.000 0.240 115 E C -1.253 175.283 176.600 -0.108 0.000 1.154 115 E CA 0.634 56.972 56.400 -0.105 0.000 0.717 115 E CB -2.554 27.133 29.700 -0.022 0.000 1.250 115 E HN 0.611 nan 8.360 nan 0.000 0.386 116 P HA -0.190 nan 4.420 nan 0.000 0.217 116 P C 1.217 178.506 177.300 -0.019 0.000 1.150 116 P CA 1.124 64.200 63.100 -0.039 0.000 0.832 116 P CB 0.092 31.777 31.700 -0.025 0.000 0.787 117 Q N -0.834 118.910 119.800 -0.093 0.000 2.425 117 Q HA 0.078 4.419 4.340 0.001 0.000 0.204 117 Q C 2.138 178.233 176.000 0.157 0.000 0.933 117 Q CA 0.290 56.134 55.803 0.069 0.000 0.939 117 Q CB -0.302 28.581 28.738 0.241 0.000 1.044 117 Q HN 0.182 nan 8.270 nan 0.000 0.513 118 S N 1.073 116.771 115.700 -0.003 0.000 2.442 118 S HA -0.178 4.293 4.470 0.001 0.000 0.236 118 S C 1.740 176.475 174.600 0.225 0.000 1.007 118 S CA 1.104 59.387 58.200 0.139 0.000 0.965 118 S CB 0.107 63.401 63.200 0.158 0.000 0.773 118 S HN 0.454 nan 8.310 nan 0.000 0.504 119 E N 0.047 120.362 120.200 0.193 0.000 2.077 119 E HA -0.122 4.229 4.350 0.001 0.000 0.193 119 E C 1.809 178.565 176.600 0.259 0.000 0.989 119 E CA 1.566 58.101 56.400 0.224 0.000 0.800 119 E CB -0.249 29.539 29.700 0.146 0.000 0.746 119 E HN 0.448 nan 8.360 nan 0.000 0.452 120 T N 0.695 115.373 114.554 0.207 0.000 2.699 120 T HA -0.193 4.157 4.350 0.001 0.000 0.268 120 T C 1.934 176.743 174.700 0.182 0.000 1.036 120 T CA 1.861 64.072 62.100 0.185 0.000 1.147 120 T CB -0.345 68.623 68.868 0.167 0.000 0.862 120 T HN 0.332 nan 8.240 nan 0.000 0.446 121 V N -1.188 118.838 119.914 0.188 0.000 2.591 121 V HA 0.028 4.149 4.120 0.001 0.000 0.249 121 V C 2.072 178.262 176.094 0.160 0.000 1.053 121 V CA 0.778 63.162 62.300 0.140 0.000 1.068 121 V CB -1.023 30.855 31.823 0.092 0.000 0.689 121 V HN 0.633 nan 8.190 nan 0.000 0.462 122 W N 1.657 123.000 121.300 0.071 0.000 2.338 122 W HA -0.135 4.525 4.660 0.001 0.000 0.304 122 W C 2.604 179.175 176.519 0.087 0.000 1.212 122 W CA 1.988 59.390 57.345 0.094 0.000 1.264 122 W CB -0.168 29.379 29.460 0.146 0.000 1.142 122 W HN 0.212 nan 8.180 nan 0.000 0.512 123 R N 0.531 121.182 120.500 0.250 0.000 2.096 123 R HA -0.160 4.180 4.340 0.001 0.000 0.235 123 R C 2.126 178.436 176.300 0.017 0.000 1.127 123 R CA 1.460 57.645 56.100 0.142 0.000 0.968 123 R CB -1.065 29.338 30.300 0.172 0.000 0.861 123 R HN 0.451 nan 8.270 nan 0.000 0.440 124 Q N -0.073 119.755 119.800 0.046 0.000 2.050 124 Q HA -0.081 4.259 4.340 0.001 0.000 0.202 124 Q C 2.138 178.164 176.000 0.043 0.000 0.980 124 Q CA 1.967 57.816 55.803 0.077 0.000 0.840 124 Q CB -0.196 28.616 28.738 0.124 0.000 0.898 124 Q HN 0.376 nan 8.270 nan 0.000 0.424 125 A N 0.781 123.546 122.820 -0.093 0.000 1.902 125 A HA -0.246 4.075 4.320 0.001 0.000 0.217 125 A C 1.822 179.273 177.584 -0.222 0.000 1.181 125 A CA 1.575 53.508 52.037 -0.174 0.000 0.623 125 A CB -0.474 18.315 19.000 -0.353 0.000 0.818 125 A HN 0.360 nan 8.150 nan 0.000 0.443 126 E N -0.629 119.375 120.200 -0.327 0.000 2.110 126 E HA -0.220 4.130 4.350 0.001 0.000 0.193 126 E C 2.072 178.590 176.600 -0.136 0.000 0.988 126 E CA 1.437 57.703 56.400 -0.223 0.000 0.804 126 E CB -0.076 29.533 29.700 -0.151 0.000 0.745 126 E HN 0.670 nan 8.360 nan 0.000 0.458 127 K N -0.117 120.184 120.400 -0.164 0.000 2.026 127 K HA -0.160 4.160 4.320 0.001 0.000 0.208 127 K C 1.036 177.401 176.600 -0.392 0.000 1.048 127 K CA 1.332 57.440 56.287 -0.299 0.000 0.929 127 K CB -0.034 32.216 32.500 -0.418 0.000 0.713 127 K HN 0.119 nan 8.250 nan 0.000 0.439 128 Y N 1.134 121.405 120.300 -0.048 0.000 2.493 128 Y HA 0.254 4.804 4.550 0.001 0.000 0.275 128 Y C -0.412 175.458 175.900 -0.051 0.000 1.183 128 Y CA -0.150 57.925 58.100 -0.043 0.000 1.258 128 Y CB 0.366 38.802 38.460 -0.040 0.000 1.108 128 Y HN -0.028 nan 8.280 nan 0.000 0.521 129 K N 0.123 120.532 120.400 0.015 0.000 3.150 129 K HA -0.155 4.165 4.320 0.001 0.000 0.267 129 K C -0.408 176.189 176.600 -0.005 0.000 1.028 129 K CA 0.662 56.945 56.287 -0.007 0.000 0.753 129 K CB -1.834 30.670 32.500 0.008 0.000 1.288 129 K HN 0.209 nan 8.250 nan 0.000 0.473 130 V N -0.405 119.490 119.914 -0.031 0.000 2.347 130 V HA 0.414 4.534 4.120 0.001 0.000 0.280 130 V C -2.297 173.759 176.094 -0.064 0.000 1.021 130 V CA -2.108 60.172 62.300 -0.034 0.000 0.847 130 V CB 1.239 33.046 31.823 -0.028 0.000 0.990 130 V HN -0.001 nan 8.190 nan 0.000 0.444 131 P HA 0.210 nan 4.420 nan 0.000 0.265 131 P C -0.875 176.416 177.300 -0.016 0.000 1.187 131 P CA 0.273 63.362 63.100 -0.018 0.000 0.766 131 P CB 0.241 31.946 31.700 0.009 0.000 0.820 132 R N 3.382 123.883 120.500 0.003 0.000 2.774 132 R HA 0.688 5.029 4.340 0.001 0.000 0.272 132 R C -0.819 175.565 176.300 0.140 0.000 1.000 132 R CA -0.957 55.169 56.100 0.042 0.000 0.906 132 R CB 1.250 31.536 30.300 -0.023 0.000 1.227 132 R HN 0.471 nan 8.270 nan 0.000 0.468 133 I N -1.730 118.951 120.570 0.186 0.000 2.863 133 I HA 0.896 5.067 4.170 0.001 0.000 0.311 133 I C -0.587 175.731 176.117 0.335 0.000 1.026 133 I CA -1.248 60.225 61.300 0.289 0.000 1.077 133 I CB 2.283 40.505 38.000 0.372 0.000 1.262 133 I HN 0.805 nan 8.210 nan 0.000 0.461 134 A N 2.806 125.874 122.820 0.414 0.000 2.354 134 A HA 0.832 5.153 4.320 0.001 0.000 0.321 134 A C -1.507 176.394 177.584 0.528 0.000 1.125 134 A CA -0.422 51.893 52.037 0.463 0.000 0.799 134 A CB 1.445 20.737 19.000 0.487 0.000 1.293 134 A HN 0.702 nan 8.150 nan 0.000 0.452 135 F N 1.506 121.625 119.950 0.282 0.000 2.745 135 F HA 0.588 5.116 4.527 0.001 0.000 0.343 135 F C 0.093 176.001 175.800 0.180 0.000 1.196 135 F CA -0.813 57.310 58.000 0.205 0.000 1.021 135 F CB 1.220 40.295 39.000 0.124 0.000 1.297 135 F HN 0.732 nan 8.300 nan 0.000 0.486 136 A N 5.144 127.791 122.820 -0.288 0.000 2.376 136 A HA 0.191 4.511 4.320 0.001 0.000 0.298 136 A C 0.865 178.043 177.584 -0.676 0.000 1.271 136 A CA -0.055 51.787 52.037 -0.326 0.000 0.926 136 A CB -0.300 18.519 19.000 -0.301 0.000 1.141 136 A HN 0.922 nan 8.150 nan 0.000 0.539 137 N N 1.790 120.185 118.700 -0.509 0.000 2.299 137 N HA 0.025 4.766 4.740 0.001 0.000 0.187 137 N C 0.124 175.478 175.510 -0.259 0.000 1.099 137 N CA 0.327 53.052 53.050 -0.542 0.000 0.867 137 N CB 0.062 38.482 38.487 -0.111 0.000 0.974 137 N HN 0.602 nan 8.380 nan 0.000 0.477 138 K N 0.941 121.213 120.400 -0.213 0.000 3.205 138 K HA 0.280 4.601 4.320 0.001 0.000 0.202 138 K C 0.780 177.266 176.600 -0.190 0.000 1.160 138 K CA -0.376 55.831 56.287 -0.134 0.000 0.995 138 K CB 0.652 33.109 32.500 -0.072 0.000 1.041 138 K HN 0.071 nan 8.250 nan 0.000 0.507 139 M N 1.087 120.497 119.600 -0.317 0.000 2.213 139 M HA -0.175 4.305 4.480 0.001 0.000 0.263 139 M C 1.533 177.609 176.300 -0.374 0.000 1.062 139 M CA 1.677 56.647 55.300 -0.551 0.000 1.105 139 M CB -0.523 31.355 32.600 -1.204 0.000 1.385 139 M HN 0.465 nan 8.290 nan 0.000 0.417 140 D N 0.064 120.408 120.400 -0.094 0.000 2.149 140 D HA -0.166 4.474 4.640 0.001 0.000 0.198 140 D C 0.969 177.275 176.300 0.010 0.000 0.990 140 D CA 0.814 54.859 54.000 0.075 0.000 0.839 140 D CB -0.226 40.655 40.800 0.135 0.000 0.948 140 D HN 0.275 nan 8.370 nan 0.000 0.460 141 K N 0.698 121.080 120.400 -0.030 0.000 2.276 141 K HA 0.076 4.396 4.320 0.001 0.000 0.259 141 K C -0.297 176.286 176.600 -0.028 0.000 1.001 141 K CA -0.122 56.152 56.287 -0.022 0.000 0.927 141 K CB 0.677 33.159 32.500 -0.030 0.000 0.969 141 K HN -0.110 nan 8.250 nan 0.000 0.490 142 T N 1.537 116.083 114.554 -0.012 0.000 2.888 142 T HA 0.212 4.562 4.350 0.001 0.000 0.301 142 T C 0.968 175.655 174.700 -0.022 0.000 1.001 142 T CA 0.782 62.875 62.100 -0.011 0.000 1.147 142 T CB 0.685 69.553 68.868 -0.000 0.000 0.931 142 T HN 0.844 nan 8.240 nan 0.000 0.541 143 G N 1.964 110.750 108.800 -0.024 0.000 2.175 143 G HA2 -0.109 3.851 3.960 0.001 0.000 0.244 143 G HA3 -0.109 3.851 3.960 0.001 0.000 0.244 143 G C 0.343 175.209 174.900 -0.056 0.000 0.982 143 G CA -0.148 44.934 45.100 -0.030 0.000 0.641 143 G HN 1.233 nan 8.290 nan 0.000 0.527 144 A N 0.313 123.085 122.820 -0.081 0.000 2.545 144 A HA 0.454 4.774 4.320 0.001 0.000 0.253 144 A C 0.200 177.698 177.584 -0.143 0.000 1.074 144 A CA 1.269 53.222 52.037 -0.139 0.000 0.760 144 A CB 0.226 19.108 19.000 -0.196 0.000 1.005 144 A HN 0.458 nan 8.150 nan 0.000 0.506 145 D N 3.062 123.363 120.400 -0.165 0.000 2.364 145 D HA 0.143 4.784 4.640 0.001 0.000 0.251 145 D C 0.869 177.014 176.300 -0.258 0.000 1.282 145 D CA -0.473 53.437 54.000 -0.152 0.000 0.927 145 D CB 0.471 41.233 40.800 -0.063 0.000 1.267 145 D HN 0.407 nan 8.370 nan 0.000 0.531 146 L N 2.179 123.129 121.223 -0.455 0.000 2.013 146 L HA -0.149 4.192 4.340 0.001 0.000 0.212 146 L C 1.379 177.902 176.870 -0.579 0.000 1.073 146 L CA 1.668 56.110 54.840 -0.663 0.000 0.753 146 L CB -0.016 41.394 42.059 -1.082 0.000 0.890 146 L HN 0.491 nan 8.230 nan 0.000 0.432 147 W N -0.743 120.480 121.300 -0.128 0.000 2.388 147 W HA -0.215 4.445 4.660 0.001 0.000 0.294 147 W C 2.297 178.747 176.519 -0.116 0.000 1.212 147 W CA 0.061 57.340 57.345 -0.110 0.000 1.271 147 W CB -0.375 29.042 29.460 -0.071 0.000 1.126 147 W HN 0.141 nan 8.180 nan 0.000 0.535 148 L N 0.278 121.535 121.223 0.057 0.000 2.083 148 L HA -0.164 4.176 4.340 0.001 0.000 0.209 148 L C 2.116 178.917 176.870 -0.115 0.000 1.083 148 L CA 1.659 56.487 54.840 -0.021 0.000 0.752 148 L CB -0.842 41.196 42.059 -0.036 0.000 0.899 148 L HN -0.139 nan 8.230 nan 0.000 0.433 149 V N -0.294 119.505 119.914 -0.192 0.000 2.343 149 V HA -0.272 3.848 4.120 0.001 0.000 0.247 149 V C 2.461 178.354 176.094 -0.335 0.000 1.051 149 V CA 1.568 63.672 62.300 -0.327 0.000 1.036 149 V CB -0.592 31.008 31.823 -0.371 0.000 0.654 149 V HN 0.354 nan 8.190 nan 0.000 0.451 150 I N -0.123 120.321 120.570 -0.210 0.000 2.202 150 I HA -0.162 4.009 4.170 0.001 0.000 0.242 150 I C 2.620 178.677 176.117 -0.100 0.000 1.091 150 I CA 1.594 62.813 61.300 -0.134 0.000 1.368 150 I CB -1.229 36.789 38.000 0.030 0.000 1.058 150 I HN 0.295 nan 8.210 nan 0.000 0.410 151 R N -0.077 120.396 120.500 -0.045 0.000 2.066 151 R HA -0.150 4.190 4.340 0.001 0.000 0.232 151 R C 2.377 178.618 176.300 -0.100 0.000 1.131 151 R CA 1.956 58.032 56.100 -0.041 0.000 0.955 151 R CB -0.636 29.661 30.300 -0.006 0.000 0.851 151 R HN 0.314 nan 8.270 nan 0.000 0.432 152 T N 0.406 114.878 114.554 -0.135 0.000 2.788 152 T HA -0.135 4.216 4.350 0.001 0.000 0.268 152 T C 1.862 176.418 174.700 -0.240 0.000 1.044 152 T CA 1.236 63.238 62.100 -0.164 0.000 1.139 152 T CB -0.011 68.760 68.868 -0.162 0.000 0.867 152 T HN 0.121 nan 8.240 nan 0.000 0.454 153 M N 0.213 119.612 119.600 -0.335 0.000 2.159 153 M HA -0.126 4.355 4.480 0.001 0.000 0.263 153 M C 2.539 178.651 176.300 -0.313 0.000 1.063 153 M CA 1.823 56.864 55.300 -0.431 0.000 1.110 153 M CB -0.247 32.066 32.600 -0.477 0.000 1.374 153 M HN 0.348 nan 8.290 nan 0.000 0.411 154 Q N -0.306 119.375 119.800 -0.197 0.000 2.016 154 Q HA -0.171 4.170 4.340 0.001 0.000 0.200 154 Q C 2.127 178.063 176.000 -0.106 0.000 0.978 154 Q CA 1.369 57.099 55.803 -0.121 0.000 0.833 154 Q CB 0.117 28.813 28.738 -0.070 0.000 0.895 154 Q HN 0.317 nan 8.270 nan 0.000 0.427 155 E N -0.010 120.129 120.200 -0.101 0.000 2.033 155 E HA -0.067 4.284 4.350 0.001 0.000 0.189 155 E C 2.048 178.598 176.600 -0.083 0.000 0.979 155 E CA 0.981 57.335 56.400 -0.076 0.000 0.802 155 E CB 0.129 29.792 29.700 -0.062 0.000 0.763 155 E HN 0.243 nan 8.360 nan 0.000 0.449 156 R N 0.031 120.469 120.500 -0.104 0.000 2.080 156 R HA 0.110 4.450 4.340 0.001 0.000 0.222 156 R C 2.456 178.691 176.300 -0.107 0.000 1.107 156 R CA 0.665 56.714 56.100 -0.086 0.000 0.980 156 R CB -0.071 30.186 30.300 -0.073 0.000 0.879 156 R HN 0.135 nan 8.270 nan 0.000 0.439 157 L N -0.434 120.658 121.223 -0.219 0.000 2.529 157 L HA 0.272 4.613 4.340 0.001 0.000 0.223 157 L C 0.981 177.738 176.870 -0.190 0.000 1.113 157 L CA 0.233 54.871 54.840 -0.336 0.000 0.861 157 L CB -0.087 41.421 42.059 -0.918 0.000 1.012 157 L HN 0.340 nan 8.230 nan 0.000 0.461 158 G N 1.139 109.861 108.800 -0.130 0.000 2.366 158 G HA2 -0.306 3.655 3.960 0.001 0.000 0.299 158 G HA3 -0.306 3.655 3.960 0.001 0.000 0.299 158 G C 0.845 175.747 174.900 0.003 0.000 1.020 158 G CA 0.481 45.559 45.100 -0.037 0.000 1.026 158 G HN 0.494 nan 8.290 nan 0.000 0.512 159 A N -0.209 122.545 122.820 -0.110 0.000 2.178 159 A HA 0.537 4.858 4.320 0.001 0.000 0.211 159 A C 1.653 179.288 177.584 0.086 0.000 1.157 159 A CA 1.337 53.365 52.037 -0.014 0.000 0.780 159 A CB -0.021 18.699 19.000 -0.467 0.000 0.828 159 A HN 1.460 nan 8.150 nan 0.000 0.476 160 R N -0.607 119.913 120.500 0.032 0.000 3.022 160 R HA -0.126 4.215 4.340 0.001 0.000 0.248 160 R C -2.514 173.815 176.300 0.047 0.000 0.874 160 R CA 0.426 56.556 56.100 0.049 0.000 0.626 160 R CB -1.195 29.159 30.300 0.091 0.000 1.255 160 R HN 0.319 nan 8.270 nan 0.000 0.496 161 P HA 0.077 nan 4.420 nan 0.000 0.271 161 P C -0.595 176.708 177.300 0.005 0.000 1.218 161 P CA -0.120 62.974 63.100 -0.010 0.000 0.780 161 P CB 1.476 33.136 31.700 -0.068 0.000 0.901 162 V N 4.052 123.951 119.914 -0.025 0.000 2.487 162 V HA 0.226 4.347 4.120 0.001 0.000 0.298 162 V C -0.506 175.535 176.094 -0.089 0.000 1.028 162 V CA -0.990 61.299 62.300 -0.019 0.000 0.860 162 V CB 2.052 33.863 31.823 -0.020 0.000 0.991 162 V HN 0.194 nan 8.190 nan 0.000 0.427 163 V N 9.330 129.233 119.914 -0.018 0.000 2.397 163 V HA 0.120 4.241 4.120 0.001 0.000 0.262 163 V C 1.152 177.184 176.094 -0.103 0.000 1.047 163 V CA 0.136 62.384 62.300 -0.086 0.000 1.003 163 V CB 0.955 32.768 31.823 -0.017 0.000 1.037 163 V HN 0.901 nan 8.190 nan 0.000 0.480 164 M N 3.293 122.729 119.600 -0.273 0.000 2.492 164 M HA 0.275 4.756 4.480 0.001 0.000 0.255 164 M C 0.558 176.808 176.300 -0.083 0.000 1.139 164 M CA 0.693 55.843 55.300 -0.251 0.000 1.096 164 M CB -0.108 32.072 32.600 -0.701 0.000 1.360 164 M HN 0.609 nan 8.290 nan 0.000 0.480 165 Q N -0.096 119.641 119.800 -0.104 0.000 2.462 165 Q HA 0.627 4.968 4.340 0.001 0.000 0.285 165 Q C -1.768 174.190 176.000 -0.070 0.000 1.035 165 Q CA -0.705 55.099 55.803 0.003 0.000 0.799 165 Q CB 3.187 31.980 28.738 0.092 0.000 1.452 165 Q HN -0.026 nan 8.270 nan 0.000 0.404 166 L N 2.379 123.598 121.223 -0.006 0.000 2.386 166 L HA 0.611 4.952 4.340 0.001 0.000 0.271 166 L C -2.448 174.418 176.870 -0.007 0.000 0.993 166 L CA -2.083 52.737 54.840 -0.033 0.000 0.819 166 L CB 1.665 43.769 42.059 0.075 0.000 1.294 166 L HN 0.462 nan 8.230 nan 0.000 0.414 167 P HA 0.314 nan 4.420 nan 0.000 0.279 167 P C -0.687 176.583 177.300 -0.050 0.000 1.239 167 P CA -0.239 62.907 63.100 0.076 0.000 0.789 167 P CB 1.185 32.840 31.700 -0.074 0.000 0.933 168 I N 1.991 122.536 120.570 -0.041 0.000 2.321 168 I HA 0.488 4.658 4.170 0.001 0.000 0.291 168 I C 1.005 177.188 176.117 0.109 0.000 0.998 168 I CA 0.201 61.286 61.300 -0.358 0.000 1.227 168 I CB 0.717 38.517 38.000 -0.334 0.000 1.368 168 I HN 0.662 nan 8.210 nan 0.000 0.466 169 G N 5.843 114.798 108.800 0.257 0.000 2.829 169 G HA2 -0.181 3.780 3.960 0.001 0.000 0.628 169 G HA3 -0.181 3.780 3.960 0.001 0.000 0.628 169 G C -0.787 174.287 174.900 0.290 0.000 1.412 169 G CA -0.837 44.446 45.100 0.304 0.000 0.864 169 G HN 0.678 nan 8.290 nan 0.000 0.544 170 R N 0.371 121.001 120.500 0.215 0.000 2.604 170 R HA 0.619 4.959 4.340 0.001 0.000 0.281 170 R C 0.602 176.963 176.300 0.101 0.000 1.020 170 R CA -0.198 55.972 56.100 0.115 0.000 0.899 170 R CB 2.113 32.469 30.300 0.093 0.000 1.205 170 R HN 0.938 nan 8.270 nan 0.000 0.450 171 E N 0.634 120.854 120.200 0.034 0.000 3.289 171 E HA -0.375 3.976 4.350 0.001 0.000 0.386 171 E C 0.195 176.860 176.600 0.109 0.000 1.526 171 E CA 1.575 57.998 56.400 0.039 0.000 1.519 171 E CB -0.719 28.997 29.700 0.026 0.000 1.657 171 E HN 0.704 nan 8.360 nan 0.000 0.479 172 D N -0.107 120.345 120.400 0.087 0.000 2.116 172 D HA -0.121 4.519 4.640 0.001 0.000 0.193 172 D C 1.996 178.366 176.300 0.117 0.000 0.998 172 D CA 2.481 56.535 54.000 0.090 0.000 0.836 172 D CB -0.695 40.143 40.800 0.063 0.000 0.951 172 D HN 0.561 nan 8.370 nan 0.000 0.449 173 T N -1.777 112.851 114.554 0.124 0.000 3.215 173 T HA -0.048 4.302 4.350 0.001 0.000 0.254 173 T C 0.653 175.465 174.700 0.186 0.000 1.149 173 T CA -0.543 61.635 62.100 0.130 0.000 1.042 173 T CB -0.809 68.129 68.868 0.116 0.000 0.966 173 T HN -0.073 nan 8.240 nan 0.000 0.534 174 F N 3.870 123.844 119.950 0.039 0.000 2.519 174 F HA 0.334 4.861 4.527 0.001 0.000 0.381 174 F C 1.239 177.069 175.800 0.050 0.000 1.076 174 F CA -0.791 57.227 58.000 0.030 0.000 1.095 174 F CB 0.287 39.286 39.000 -0.002 0.000 1.046 174 F HN 0.256 nan 8.300 nan 0.000 0.559 175 S N 3.244 118.836 115.700 -0.180 0.000 2.559 175 S HA 0.556 5.027 4.470 0.001 0.000 0.226 175 S C 0.472 174.990 174.600 -0.137 0.000 1.030 175 S CA 0.256 58.360 58.200 -0.160 0.000 0.956 175 S CB -0.058 63.134 63.200 -0.014 0.000 0.900 175 S HN 0.936 nan 8.310 nan 0.000 0.510 176 G N 0.359 109.020 108.800 -0.233 0.000 2.608 176 G HA2 0.639 4.599 3.960 0.001 0.000 0.291 176 G HA3 0.639 4.599 3.960 0.001 0.000 0.291 176 G C -2.075 172.883 174.900 0.097 0.000 1.425 176 G CA -0.791 44.321 45.100 0.020 0.000 0.787 176 G HN 0.307 nan 8.290 nan 0.000 0.484 177 I N 0.324 121.034 120.570 0.233 0.000 2.607 177 I HA 0.364 4.534 4.170 0.001 0.000 0.290 177 I C -0.773 175.486 176.117 0.237 0.000 1.129 177 I CA -0.624 60.835 61.300 0.264 0.000 1.042 177 I CB 2.482 40.694 38.000 0.353 0.000 1.242 177 I HN 0.254 nan 8.210 nan 0.000 0.421 178 I N 4.644 125.300 120.570 0.143 0.000 2.304 178 I HA 0.154 4.325 4.170 0.001 0.000 0.291 178 I C -0.138 176.084 176.117 0.176 0.000 1.018 178 I CA -0.293 61.082 61.300 0.125 0.000 1.260 178 I CB 0.948 38.987 38.000 0.066 0.000 1.390 178 I HN 0.499 nan 8.210 nan 0.000 0.475 179 D N 6.453 126.990 120.400 0.229 0.000 2.325 179 D HA 0.059 4.699 4.640 0.001 0.000 0.251 179 D C 0.801 177.181 176.300 0.132 0.000 1.196 179 D CA -0.276 53.861 54.000 0.230 0.000 0.866 179 D CB 1.670 42.663 40.800 0.322 0.000 1.101 179 D HN 0.368 nan 8.370 nan 0.000 0.476 180 V N 3.375 123.362 119.914 0.122 0.000 3.506 180 V HA 0.023 4.143 4.120 0.001 0.000 0.263 180 V C 1.721 177.836 176.094 0.035 0.000 1.203 180 V CA 0.116 62.471 62.300 0.092 0.000 1.133 180 V CB -0.155 31.775 31.823 0.178 0.000 0.802 180 V HN 0.471 nan 8.190 nan 0.000 0.459 181 L N 1.829 123.112 121.223 0.100 0.000 2.005 181 L HA 0.079 4.419 4.340 0.001 0.000 0.207 181 L C 2.525 179.378 176.870 -0.029 0.000 1.072 181 L CA 2.071 56.985 54.840 0.125 0.000 0.744 181 L CB -1.065 41.124 42.059 0.217 0.000 0.895 181 L HN 0.323 nan 8.230 nan 0.000 0.433 182 R N -1.375 119.127 120.500 0.003 0.000 2.312 182 R HA 0.166 4.506 4.340 0.001 0.000 0.205 182 R C 0.080 176.327 176.300 -0.088 0.000 0.904 182 R CA -0.106 55.986 56.100 -0.013 0.000 1.052 182 R CB 0.168 30.507 30.300 0.066 0.000 1.014 182 R HN 0.216 nan 8.270 nan 0.000 0.503 183 M N 1.700 121.216 119.600 -0.140 0.000 2.450 183 M HA -0.204 4.277 4.480 0.001 0.000 0.192 183 M C -0.966 175.295 176.300 -0.065 0.000 0.753 183 M CA 1.382 56.610 55.300 -0.120 0.000 0.532 183 M CB -2.049 30.454 32.600 -0.161 0.000 1.263 183 M HN 0.257 nan 8.290 nan 0.000 0.885 184 K N -0.897 119.469 120.400 -0.057 0.000 2.533 184 K HA 0.980 5.301 4.320 0.001 0.000 0.272 184 K C -0.705 175.788 176.600 -0.179 0.000 0.985 184 K CA -0.697 55.506 56.287 -0.139 0.000 0.876 184 K CB 2.365 34.744 32.500 -0.202 0.000 1.452 184 K HN 0.219 nan 8.250 nan 0.000 0.439 185 A N 0.649 123.263 122.820 -0.343 0.000 2.532 185 A HA 0.790 5.110 4.320 0.001 0.000 0.290 185 A C -1.943 175.292 177.584 -0.581 0.000 1.143 185 A CA -0.825 51.043 52.037 -0.283 0.000 0.728 185 A CB 1.095 20.033 19.000 -0.104 0.000 1.317 185 A HN 0.629 nan 8.150 nan 0.000 0.414 186 Y N -0.810 119.441 120.300 -0.081 0.000 2.433 186 Y HA 0.614 5.164 4.550 0.001 0.000 0.337 186 Y C 0.312 176.010 175.900 -0.337 0.000 1.026 186 Y CA -0.399 57.567 58.100 -0.223 0.000 1.037 186 Y CB 2.654 40.974 38.460 -0.233 0.000 1.245 186 Y HN 0.635 nan 8.280 nan 0.000 0.443 187 T N 2.464 116.844 114.554 -0.289 0.000 2.856 187 T HA 0.551 4.902 4.350 0.001 0.000 0.283 187 T C -1.629 172.806 174.700 -0.441 0.000 1.008 187 T CA -0.563 61.377 62.100 -0.267 0.000 0.997 187 T CB 0.434 69.233 68.868 -0.115 0.000 0.992 187 T HN 0.436 nan 8.240 nan 0.000 0.454 188 Y N 2.165 122.441 120.300 -0.040 0.000 2.464 188 Y HA 0.403 4.954 4.550 0.001 0.000 0.326 188 Y C 1.343 177.227 175.900 -0.026 0.000 0.969 188 Y CA -0.940 57.141 58.100 -0.032 0.000 1.270 188 Y CB 1.322 39.734 38.460 -0.081 0.000 1.103 188 Y HN 0.838 nan 8.280 nan 0.000 0.491 189 G N 2.153 111.002 108.800 0.082 0.000 2.708 189 G HA2 -0.068 3.893 3.960 0.001 0.000 0.210 189 G HA3 -0.068 3.893 3.960 0.001 0.000 0.210 189 G C 0.168 175.107 174.900 0.064 0.000 1.141 189 G CA 0.524 45.657 45.100 0.055 0.000 0.788 189 G HN 0.678 nan 8.290 nan 0.000 0.531 190 N N -2.149 116.605 118.700 0.090 0.000 3.179 190 N HA 0.203 4.943 4.740 0.001 0.000 0.250 190 N C -0.933 174.619 175.510 0.070 0.000 1.507 190 N CA -0.810 52.280 53.050 0.067 0.000 0.883 190 N CB 0.403 38.924 38.487 0.057 0.000 1.435 190 N HN -0.227 nan 8.380 nan 0.000 0.532 191 D N -0.447 119.977 120.400 0.041 0.000 2.363 191 D HA 0.248 4.888 4.640 0.001 0.000 0.214 191 D C 0.835 177.145 176.300 0.016 0.000 1.093 191 D CA 0.213 54.227 54.000 0.024 0.000 0.837 191 D CB 0.220 41.029 40.800 0.015 0.000 0.948 191 D HN 0.461 nan 8.370 nan 0.000 0.507 192 L N -0.649 120.590 121.223 0.026 0.000 2.529 192 L HA 0.244 4.585 4.340 0.001 0.000 0.223 192 L C 1.397 178.270 176.870 0.006 0.000 1.113 192 L CA 0.286 55.120 54.840 -0.010 0.000 0.861 192 L CB 0.056 42.110 42.059 -0.008 0.000 1.012 192 L HN 0.047 nan 8.230 nan 0.000 0.461 193 G N 1.099 109.972 108.800 0.121 0.000 2.160 193 G HA2 -0.291 3.669 3.960 0.001 0.000 0.244 193 G HA3 -0.291 3.669 3.960 0.001 0.000 0.244 193 G C 0.614 175.688 174.900 0.290 0.000 1.022 193 G CA 0.579 45.846 45.100 0.278 0.000 0.741 193 G HN 0.406 nan 8.290 nan 0.000 0.508 194 T N -3.700 110.971 114.554 0.195 0.000 3.170 194 T HA 0.473 4.824 4.350 0.001 0.000 0.288 194 T C -0.242 174.536 174.700 0.130 0.000 0.992 194 T CA 0.573 62.770 62.100 0.162 0.000 0.909 194 T CB 1.099 70.031 68.868 0.108 0.000 1.133 194 T HN 0.321 nan 8.240 nan 0.000 0.530 195 D N 0.750 121.237 120.400 0.144 0.000 2.763 195 D HA 0.456 5.096 4.640 0.001 0.000 0.235 195 D C -1.569 174.785 176.300 0.091 0.000 1.334 195 D CA -0.453 53.605 54.000 0.098 0.000 0.950 195 D CB 1.670 42.512 40.800 0.070 0.000 1.433 195 D HN 0.439 nan 8.370 nan 0.000 0.580 196 I N 3.027 123.618 120.570 0.035 0.000 2.607 196 I HA 0.516 4.687 4.170 0.001 0.000 0.290 196 I C -1.442 174.633 176.117 -0.069 0.000 1.129 196 I CA -0.620 60.627 61.300 -0.089 0.000 1.042 196 I CB 1.243 39.221 38.000 -0.036 0.000 1.242 196 I HN 0.276 nan 8.210 nan 0.000 0.421 197 R N 5.373 125.800 120.500 -0.122 0.000 2.515 197 R HA 0.277 4.617 4.340 0.001 0.000 0.291 197 R C -1.055 175.193 176.300 -0.087 0.000 1.046 197 R CA -0.856 55.205 56.100 -0.065 0.000 0.914 197 R CB 1.998 32.259 30.300 -0.065 0.000 1.191 197 R HN 0.557 nan 8.270 nan 0.000 0.435 198 E N 3.926 124.084 120.200 -0.070 0.000 2.562 198 E HA -0.037 4.314 4.350 0.001 0.000 0.241 198 E C -0.034 176.448 176.600 -0.196 0.000 1.136 198 E CA 0.159 56.417 56.400 -0.236 0.000 0.952 198 E CB 0.137 29.729 29.700 -0.179 0.000 0.975 198 E HN 0.375 nan 8.360 nan 0.000 0.494 199 I N 2.047 122.483 120.570 -0.223 0.000 2.676 199 I HA 0.602 4.772 4.170 0.001 0.000 0.309 199 I C -2.164 173.864 176.117 -0.149 0.000 0.990 199 I CA -2.810 58.403 61.300 -0.145 0.000 1.168 199 I CB 1.236 39.175 38.000 -0.102 0.000 1.343 199 I HN 0.242 nan 8.210 nan 0.000 0.482 200 P HA 0.271 nan 4.420 nan 0.000 0.274 200 P C -0.407 176.869 177.300 -0.040 0.000 1.231 200 P CA -0.139 62.923 63.100 -0.064 0.000 0.790 200 P CB 0.751 32.432 31.700 -0.032 0.000 0.951 201 I N 3.927 124.485 120.570 -0.019 0.000 2.741 201 I HA 0.008 4.178 4.170 0.001 0.000 0.288 201 I C -1.143 175.012 176.117 0.063 0.000 1.192 201 I CA -1.034 60.281 61.300 0.026 0.000 1.426 201 I CB -0.542 37.492 38.000 0.056 0.000 1.367 201 I HN 0.322 nan 8.210 nan 0.000 0.563 202 P HA 0.002 nan 4.420 nan 0.000 0.274 202 P C 0.421 177.808 177.300 0.144 0.000 1.264 202 P CA -0.161 63.016 63.100 0.128 0.000 0.795 202 P CB 0.813 32.627 31.700 0.190 0.000 1.064 203 E N 0.199 120.464 120.200 0.110 0.000 2.028 203 E HA -0.193 4.158 4.350 0.001 0.000 0.191 203 E C 1.785 178.422 176.600 0.062 0.000 0.988 203 E CA 1.302 57.746 56.400 0.074 0.000 0.799 203 E CB -0.463 29.265 29.700 0.046 0.000 0.755 203 E HN 0.515 nan 8.360 nan 0.000 0.447 204 E N -0.612 119.607 120.200 0.032 0.000 2.515 204 E HA -0.193 4.157 4.350 0.001 0.000 0.201 204 E C 0.672 177.120 176.600 -0.254 0.000 1.071 204 E CA 0.831 57.162 56.400 -0.116 0.000 0.880 204 E CB -0.132 29.453 29.700 -0.191 0.000 0.828 204 E HN 0.481 nan 8.360 nan 0.000 0.540 205 Y N -0.211 120.131 120.300 0.071 0.000 2.430 205 Y HA 0.243 4.793 4.550 0.001 0.000 0.248 205 Y C 1.922 177.879 175.900 0.095 0.000 1.108 205 Y CA -0.269 57.886 58.100 0.092 0.000 1.264 205 Y CB 0.438 38.957 38.460 0.097 0.000 1.172 205 Y HN 0.005 nan 8.280 nan 0.000 0.520 206 L N -0.161 121.178 121.223 0.193 0.000 2.109 206 L HA -0.148 4.192 4.340 0.001 0.000 0.207 206 L C 1.670 178.621 176.870 0.134 0.000 1.086 206 L CA 1.609 56.541 54.840 0.152 0.000 0.760 206 L CB -0.094 42.029 42.059 0.106 0.000 0.910 206 L HN 0.061 nan 8.230 nan 0.000 0.437 207 D N -0.566 119.897 120.400 0.106 0.000 2.097 207 D HA -0.261 4.380 4.640 0.001 0.000 0.195 207 D C 1.991 178.364 176.300 0.123 0.000 0.989 207 D CA 1.259 55.311 54.000 0.087 0.000 0.827 207 D CB -0.087 40.742 40.800 0.049 0.000 0.966 207 D HN 0.458 nan 8.370 nan 0.000 0.456 208 Q N 0.094 119.995 119.800 0.168 0.000 2.135 208 Q HA -0.150 4.191 4.340 0.001 0.000 0.204 208 Q C 1.973 178.184 176.000 0.352 0.000 0.981 208 Q CA 1.500 57.463 55.803 0.267 0.000 0.856 208 Q CB -0.012 28.913 28.738 0.312 0.000 0.902 208 Q HN 0.209 nan 8.270 nan 0.000 0.425 209 A N 0.927 123.918 122.820 0.286 0.000 1.930 209 A HA -0.151 4.169 4.320 0.001 0.000 0.217 209 A C 2.008 179.750 177.584 0.263 0.000 1.175 209 A CA 1.033 53.233 52.037 0.273 0.000 0.627 209 A CB -0.348 18.772 19.000 0.200 0.000 0.815 209 A HN 0.286 nan 8.150 nan 0.000 0.443 210 R N -0.353 120.269 120.500 0.204 0.000 2.081 210 R HA -0.149 4.191 4.340 0.001 0.000 0.235 210 R C 2.200 178.586 176.300 0.142 0.000 1.131 210 R CA 1.429 57.639 56.100 0.184 0.000 0.960 210 R CB -0.544 29.829 30.300 0.123 0.000 0.856 210 R HN 0.826 nan 8.270 nan 0.000 0.436 211 E N 0.386 120.639 120.200 0.087 0.000 2.038 211 E HA -0.220 4.131 4.350 0.001 0.000 0.195 211 E C 1.546 178.082 176.600 -0.107 0.000 1.000 211 E CA 1.429 57.791 56.400 -0.062 0.000 0.803 211 E CB -0.130 29.461 29.700 -0.182 0.000 0.750 211 E HN 0.346 nan 8.360 nan 0.000 0.448 212 Y N -0.841 119.537 120.300 0.130 0.000 2.439 212 Y HA -0.110 4.441 4.550 0.001 0.000 0.292 212 Y C 2.311 178.315 175.900 0.173 0.000 1.130 212 Y CA 1.354 59.539 58.100 0.143 0.000 1.254 212 Y CB -0.292 38.274 38.460 0.176 0.000 1.000 212 Y HN 0.331 nan 8.280 nan 0.000 0.554 213 H N 0.967 120.155 119.070 0.196 0.000 2.389 213 H HA -0.134 4.422 4.556 0.001 0.000 0.299 213 H C 1.912 177.312 175.328 0.120 0.000 1.081 213 H CA 1.991 58.128 56.048 0.149 0.000 1.345 213 H CB -0.072 29.771 29.762 0.134 0.000 1.393 213 H HN 0.565 nan 8.280 nan 0.000 0.520 214 E N 0.081 120.263 120.200 -0.031 0.000 2.371 214 E HA -0.060 4.290 4.350 0.001 0.000 0.194 214 E C 1.791 178.401 176.600 0.016 0.000 1.012 214 E CA 0.204 56.574 56.400 -0.050 0.000 0.860 214 E CB 0.032 29.745 29.700 0.023 0.000 0.811 214 E HN 0.323 nan 8.360 nan 0.000 0.502 215 K N 0.757 121.162 120.400 0.007 0.000 2.057 215 K HA -0.072 4.249 4.320 0.001 0.000 0.206 215 K C 2.246 178.849 176.600 0.005 0.000 1.050 215 K CA 1.081 57.364 56.287 -0.006 0.000 0.935 215 K CB -0.161 32.333 32.500 -0.010 0.000 0.715 215 K HN 0.194 nan 8.250 nan 0.000 0.439 216 L N 1.054 122.316 121.223 0.066 0.000 2.017 216 L HA -0.186 4.155 4.340 0.001 0.000 0.208 216 L C 2.122 178.994 176.870 0.004 0.000 1.073 216 L CA 1.059 55.944 54.840 0.074 0.000 0.745 216 L CB -0.116 42.046 42.059 0.170 0.000 0.894 216 L HN -0.091 nan 8.230 nan 0.000 0.432 217 V N 0.023 119.902 119.914 -0.059 0.000 2.407 217 V HA -0.314 3.806 4.120 0.001 0.000 0.248 217 V C 2.461 178.351 176.094 -0.340 0.000 1.055 217 V CA 2.111 64.337 62.300 -0.124 0.000 1.049 217 V CB -0.673 31.086 31.823 -0.107 0.000 0.662 217 V HN 0.597 nan 8.190 nan 0.000 0.455 218 E N 0.226 120.122 120.200 -0.506 0.000 2.058 218 E HA -0.205 4.145 4.350 0.001 0.000 0.194 218 E C 2.157 178.531 176.600 -0.377 0.000 0.997 218 E CA 1.856 57.795 56.400 -0.770 0.000 0.801 218 E CB -0.050 29.368 29.700 -0.470 0.000 0.746 218 E HN 0.427 nan 8.360 nan 0.000 0.450 219 V N 1.162 120.973 119.914 -0.171 0.000 2.427 219 V HA -0.212 3.909 4.120 0.001 0.000 0.248 219 V C 2.463 178.580 176.094 0.038 0.000 1.051 219 V CA 1.662 63.936 62.300 -0.043 0.000 1.048 219 V CB -0.691 31.167 31.823 0.057 0.000 0.666 219 V HN 0.454 nan 8.190 nan 0.000 0.456 220 A N 0.121 122.971 122.820 0.051 0.000 1.972 220 A HA -0.061 4.260 4.320 0.001 0.000 0.219 220 A C 2.360 179.984 177.584 0.066 0.000 1.169 220 A CA 1.754 53.883 52.037 0.154 0.000 0.635 220 A CB -0.619 18.447 19.000 0.110 0.000 0.810 220 A HN 0.570 nan 8.150 nan 0.000 0.446 221 A N -0.156 122.604 122.820 -0.100 0.000 2.121 221 A HA -0.120 4.201 4.320 0.001 0.000 0.218 221 A C 1.541 179.014 177.584 -0.184 0.000 1.154 221 A CA 1.598 53.558 52.037 -0.129 0.000 0.679 221 A CB -0.412 18.457 19.000 -0.218 0.000 0.795 221 A HN 0.445 nan 8.150 nan 0.000 0.458 222 D N -0.828 119.360 120.400 -0.354 0.000 2.269 222 D HA -0.042 4.599 4.640 0.001 0.000 0.208 222 D C 0.399 176.261 176.300 -0.730 0.000 0.963 222 D CA 0.999 54.625 54.000 -0.622 0.000 0.864 222 D CB -0.170 40.063 40.800 -0.945 0.000 0.936 222 D HN 0.602 nan 8.370 nan 0.000 0.505 223 F N -0.265 119.686 119.950 0.002 0.000 2.698 223 F HA 0.300 4.827 4.527 0.000 0.000 0.304 223 F C 0.149 175.963 175.800 0.023 0.000 1.108 223 F CA -0.671 57.340 58.000 0.018 0.000 1.263 223 F CB 0.743 39.759 39.000 0.027 0.000 1.013 223 F HN -0.339 nan 8.300 nan 0.000 0.532 224 D N 0.381 120.844 120.400 0.105 0.000 2.738 224 D HA 0.126 4.767 4.640 0.001 0.000 0.218 224 D C 0.520 176.845 176.300 0.042 0.000 1.345 224 D CA -0.112 53.940 54.000 0.086 0.000 0.943 224 D CB 1.255 42.118 40.800 0.105 0.000 1.514 224 D HN 0.160 nan 8.370 nan 0.000 0.585 225 E N 1.617 121.839 120.200 0.037 0.000 2.150 225 E HA -0.107 4.243 4.350 0.001 0.000 0.193 225 E C 1.065 177.687 176.600 0.036 0.000 0.985 225 E CA 0.728 57.144 56.400 0.027 0.000 0.814 225 E CB 0.240 29.955 29.700 0.025 0.000 0.752 225 E HN 0.521 nan 8.360 nan 0.000 0.466 226 N N 0.709 119.435 118.700 0.044 0.000 2.120 226 N HA -0.131 4.609 4.740 0.001 0.000 0.188 226 N C 1.904 177.448 175.510 0.055 0.000 1.024 226 N CA 0.815 53.894 53.050 0.047 0.000 0.852 226 N CB -0.060 38.457 38.487 0.049 0.000 1.003 226 N HN 0.073 nan 8.380 nan 0.000 0.424 227 I N 0.342 120.947 120.570 0.059 0.000 2.394 227 I HA -0.207 3.964 4.170 0.001 0.000 0.251 227 I C 2.322 178.482 176.117 0.073 0.000 1.136 227 I CA 0.596 61.935 61.300 0.066 0.000 1.425 227 I CB -0.027 38.009 38.000 0.060 0.000 1.079 227 I HN 0.219 nan 8.210 nan 0.000 0.425 228 M N 0.983 120.614 119.600 0.053 0.000 2.086 228 M HA -0.180 4.300 4.480 0.001 0.000 0.261 228 M C 2.061 178.426 176.300 0.109 0.000 1.067 228 M CA 2.017 57.359 55.300 0.069 0.000 1.116 228 M CB -0.500 32.117 32.600 0.029 0.000 1.348 228 M HN 0.096 nan 8.290 nan 0.000 0.407 229 L N -0.545 120.721 121.223 0.072 0.000 2.131 229 L HA -0.216 4.124 4.340 0.001 0.000 0.210 229 L C 2.371 179.279 176.870 0.063 0.000 1.092 229 L CA 1.283 56.158 54.840 0.058 0.000 0.759 229 L CB -0.740 41.343 42.059 0.040 0.000 0.903 229 L HN 0.300 nan 8.230 nan 0.000 0.435 230 K N -1.038 119.410 120.400 0.081 0.000 2.062 230 K HA -0.192 4.128 4.320 0.001 0.000 0.205 230 K C 2.187 178.849 176.600 0.102 0.000 1.051 230 K CA 1.297 57.631 56.287 0.079 0.000 0.941 230 K CB -0.303 32.246 32.500 0.082 0.000 0.719 230 K HN 0.120 nan 8.250 nan 0.000 0.440 231 Y N 1.978 122.274 120.300 -0.007 0.000 2.165 231 Y HA -0.264 4.287 4.550 0.001 0.000 0.286 231 Y C 1.809 177.697 175.900 -0.021 0.000 1.155 231 Y CA 1.183 59.271 58.100 -0.020 0.000 1.164 231 Y CB -0.301 38.145 38.460 -0.023 0.000 0.978 231 Y HN -0.099 nan 8.280 nan 0.000 0.513 232 L N 0.436 121.654 121.223 -0.007 0.000 1.990 232 L HA -0.239 4.102 4.340 0.001 0.000 0.213 232 L C 2.291 179.086 176.870 -0.125 0.000 1.072 232 L CA 2.131 56.910 54.840 -0.102 0.000 0.755 232 L CB -1.316 40.737 42.059 -0.011 0.000 0.889 232 L HN 0.166 nan 8.230 nan 0.000 0.432 233 E N -0.987 119.177 120.200 -0.060 0.000 2.347 233 E HA 0.085 4.436 4.350 0.001 0.000 0.196 233 E C 1.617 178.177 176.600 -0.066 0.000 1.008 233 E CA 0.831 57.200 56.400 -0.051 0.000 0.852 233 E CB -0.270 29.420 29.700 -0.017 0.000 0.783 233 E HN 0.514 nan 8.360 nan 0.000 0.505 234 G N 1.004 109.750 108.800 -0.089 0.000 2.175 234 G HA2 -0.378 3.583 3.960 0.001 0.000 0.244 234 G HA3 -0.378 3.583 3.960 0.001 0.000 0.244 234 G C 0.125 175.015 174.900 -0.017 0.000 0.982 234 G CA 0.217 45.270 45.100 -0.079 0.000 0.641 234 G HN 0.363 nan 8.290 nan 0.000 0.527 235 E N 1.097 121.300 120.200 0.005 0.000 2.406 235 E HA 0.325 4.676 4.350 0.001 0.000 0.258 235 E C 0.606 177.238 176.600 0.054 0.000 1.043 235 E CA -0.108 56.310 56.400 0.031 0.000 0.929 235 E CB 0.214 29.934 29.700 0.033 0.000 0.969 235 E HN 0.382 nan 8.360 nan 0.000 0.462 236 E N 5.843 126.082 120.200 0.064 0.000 2.417 236 E HA 0.073 4.423 4.350 0.001 0.000 0.261 236 E C -2.301 174.356 176.600 0.096 0.000 1.000 236 E CA -1.275 55.181 56.400 0.093 0.000 0.919 236 E CB 0.583 30.360 29.700 0.127 0.000 0.955 236 E HN 0.248 nan 8.360 nan 0.000 0.455 237 P HA 0.108 nan 4.420 nan 0.000 0.274 237 P C -0.846 176.519 177.300 0.108 0.000 1.246 237 P CA -0.508 62.652 63.100 0.100 0.000 0.795 237 P CB 0.527 32.288 31.700 0.102 0.000 1.006 238 T N -2.760 111.849 114.554 0.091 0.000 2.930 238 T HA 0.021 4.371 4.350 0.001 0.000 0.306 238 T C 1.185 175.946 174.700 0.102 0.000 1.045 238 T CA -0.320 61.831 62.100 0.086 0.000 1.134 238 T CB 0.395 69.304 68.868 0.068 0.000 0.961 238 T HN 0.563 nan 8.240 nan 0.000 0.545 239 E N 1.457 121.717 120.200 0.100 0.000 2.130 239 E HA -0.264 4.087 4.350 0.001 0.000 0.196 239 E C 1.878 178.540 176.600 0.103 0.000 0.998 239 E CA 1.800 58.265 56.400 0.108 0.000 0.806 239 E CB 0.032 29.784 29.700 0.086 0.000 0.738 239 E HN 0.879 nan 8.360 nan 0.000 0.459 240 E N -0.192 120.056 120.200 0.080 0.000 2.072 240 E HA -0.175 4.176 4.350 0.001 0.000 0.190 240 E C 2.150 178.800 176.600 0.083 0.000 0.982 240 E CA 1.357 57.799 56.400 0.070 0.000 0.803 240 E CB -0.712 29.018 29.700 0.050 0.000 0.755 240 E HN 0.471 nan 8.360 nan 0.000 0.453 241 E N 2.204 122.455 120.200 0.085 0.000 2.160 241 E HA -0.090 4.261 4.350 0.001 0.000 0.195 241 E C 2.253 178.923 176.600 0.117 0.000 0.991 241 E CA 1.350 57.806 56.400 0.092 0.000 0.810 241 E CB -0.880 28.870 29.700 0.084 0.000 0.742 241 E HN 0.304 nan 8.360 nan 0.000 0.466 242 L N -0.287 121.016 121.223 0.133 0.000 2.044 242 L HA -0.093 4.248 4.340 0.001 0.000 0.205 242 L C 2.789 179.784 176.870 0.208 0.000 1.075 242 L CA 0.907 55.846 54.840 0.164 0.000 0.747 242 L CB -0.260 41.909 42.059 0.183 0.000 0.903 242 L HN 0.273 nan 8.230 nan 0.000 0.435 243 V N 0.299 120.341 119.914 0.213 0.000 2.332 243 V HA -0.331 3.789 4.120 0.001 0.000 0.248 243 V C 2.700 178.938 176.094 0.240 0.000 1.055 243 V CA 1.967 64.431 62.300 0.272 0.000 1.038 243 V CB -0.863 31.023 31.823 0.104 0.000 0.651 243 V HN 0.503 nan 8.190 nan 0.000 0.450 244 A N -0.593 122.316 122.820 0.148 0.000 2.015 244 A HA 0.030 4.351 4.320 0.001 0.000 0.219 244 A C 2.325 179.984 177.584 0.125 0.000 1.163 244 A CA 1.804 53.911 52.037 0.116 0.000 0.646 244 A CB -0.478 18.574 19.000 0.086 0.000 0.806 244 A HN 0.563 nan 8.150 nan 0.000 0.448 245 A N -0.094 122.814 122.820 0.148 0.000 1.903 245 A HA 0.106 4.426 4.320 0.001 0.000 0.213 245 A C 1.917 179.557 177.584 0.094 0.000 1.185 245 A CA 1.192 53.324 52.037 0.157 0.000 0.628 245 A CB -0.359 18.762 19.000 0.201 0.000 0.830 245 A HN 0.343 nan 8.150 nan 0.000 0.446 246 I N 0.190 120.836 120.570 0.128 0.000 2.286 246 I HA -0.202 3.969 4.170 0.001 0.000 0.248 246 I C 2.487 178.619 176.117 0.025 0.000 1.115 246 I CA 1.674 62.990 61.300 0.026 0.000 1.392 246 I CB -1.226 36.767 38.000 -0.010 0.000 1.065 246 I HN 0.453 nan 8.210 nan 0.000 0.418 247 R N 1.417 122.058 120.500 0.235 0.000 2.073 247 R HA -0.227 4.113 4.340 0.001 0.000 0.234 247 R C 2.365 178.681 176.300 0.026 0.000 1.134 247 R CA 1.927 58.163 56.100 0.226 0.000 0.952 247 R CB -0.171 30.248 30.300 0.198 0.000 0.850 247 R HN 0.263 nan 8.270 nan 0.000 0.433 248 K N -0.636 119.740 120.400 -0.039 0.000 2.057 248 K HA -0.095 4.225 4.320 0.001 0.000 0.207 248 K C 1.929 178.345 176.600 -0.307 0.000 1.049 248 K CA 1.745 57.969 56.287 -0.105 0.000 0.931 248 K CB -0.381 32.096 32.500 -0.038 0.000 0.714 248 K HN 0.347 nan 8.250 nan 0.000 0.440 249 G N -0.338 108.045 108.800 -0.694 0.000 2.422 249 G HA2 -0.167 3.794 3.960 0.001 0.000 0.218 249 G HA3 -0.167 3.794 3.960 0.001 0.000 0.218 249 G C 1.338 175.960 174.900 -0.463 0.000 1.140 249 G CA 1.111 45.500 45.100 -1.184 0.000 0.775 249 G HN 0.334 nan 8.290 nan 0.000 0.545 250 T N 1.122 115.524 114.554 -0.253 0.000 2.777 250 T HA 0.023 4.373 4.350 0.001 0.000 0.266 250 T C 2.313 176.986 174.700 -0.045 0.000 1.040 250 T CA 0.621 62.669 62.100 -0.086 0.000 1.141 250 T CB -0.087 68.781 68.868 0.000 0.000 0.868 250 T HN 0.218 nan 8.240 nan 0.000 0.444 251 I N 0.984 121.528 120.570 -0.044 0.000 2.761 251 I HA -0.055 4.115 4.170 0.001 0.000 0.261 251 I C 1.168 177.273 176.117 -0.020 0.000 1.198 251 I CA 0.957 62.249 61.300 -0.013 0.000 1.482 251 I CB -0.031 37.972 38.000 0.004 0.000 1.100 251 I HN 0.125 nan 8.210 nan 0.000 0.445 252 D N 0.628 121.000 120.400 -0.048 0.000 2.388 252 D HA 0.169 4.810 4.640 0.001 0.000 0.221 252 D C 0.433 176.734 176.300 0.001 0.000 1.133 252 D CA -0.008 53.983 54.000 -0.016 0.000 0.831 252 D CB 1.033 41.830 40.800 -0.005 0.000 0.962 252 D HN 0.003 nan 8.370 nan 0.000 0.502 253 L N 0.255 121.473 121.223 -0.009 0.000 4.140 253 L HA -0.226 4.115 4.340 0.001 0.000 0.406 253 L C 1.265 178.176 176.870 0.067 0.000 1.175 253 L CA 0.659 55.514 54.840 0.024 0.000 0.939 253 L CB -1.653 40.419 42.059 0.022 0.000 2.105 253 L HN 0.076 nan 8.230 nan 0.000 0.803 254 K N -0.388 120.046 120.400 0.057 0.000 2.367 254 K HA 0.470 4.790 4.320 0.001 0.000 0.195 254 K C 0.775 177.468 176.600 0.156 0.000 1.060 254 K CA 0.685 57.058 56.287 0.142 0.000 1.022 254 K CB 1.161 33.821 32.500 0.267 0.000 0.894 254 K HN 0.636 nan 8.250 nan 0.000 0.540 255 I N -2.888 117.730 120.570 0.080 0.000 3.095 255 I HA 0.396 4.566 4.170 0.001 0.000 0.310 255 I C -1.072 175.105 176.117 0.100 0.000 1.196 255 I CA -0.876 60.481 61.300 0.095 0.000 0.985 255 I CB 2.541 40.581 38.000 0.068 0.000 1.250 255 I HN -0.323 nan 8.210 nan 0.000 0.446 256 T N 2.790 117.414 114.554 0.116 0.000 3.068 256 T HA 0.421 4.772 4.350 0.001 0.000 0.364 256 T C -2.699 172.029 174.700 0.046 0.000 1.161 256 T CA -1.067 61.126 62.100 0.155 0.000 1.155 256 T CB 0.784 69.841 68.868 0.314 0.000 1.060 256 T HN 0.393 nan 8.240 nan 0.000 0.513 257 P HA 0.102 nan 4.420 nan 0.000 0.263 257 P C -0.651 176.534 177.300 -0.192 0.000 1.175 257 P CA -0.096 62.881 63.100 -0.205 0.000 0.761 257 P CB 0.474 32.035 31.700 -0.233 0.000 0.794 258 V N 4.860 124.525 119.914 -0.415 0.000 2.495 258 V HA 0.498 4.618 4.120 0.001 0.000 0.298 258 V C -0.080 175.679 176.094 -0.558 0.000 1.031 258 V CA -0.237 61.900 62.300 -0.273 0.000 0.871 258 V CB 0.926 32.637 31.823 -0.186 0.000 0.988 258 V HN 0.360 nan 8.190 nan 0.000 0.432 259 F N 4.321 124.338 119.950 0.113 0.000 2.639 259 F HA 0.833 5.360 4.527 0.001 0.000 0.339 259 F C -0.096 175.750 175.800 0.077 0.000 1.071 259 F CA -0.965 57.129 58.000 0.157 0.000 0.994 259 F CB 1.810 40.980 39.000 0.283 0.000 1.341 259 F HN 0.392 nan 8.300 nan 0.000 0.498 260 L N -0.440 120.931 121.223 0.247 0.000 2.540 260 L HA 1.068 5.408 4.340 0.001 0.000 0.256 260 L C -0.920 175.922 176.870 -0.046 0.000 1.001 260 L CA -0.581 54.156 54.840 -0.170 0.000 0.843 260 L CB 1.777 43.702 42.059 -0.223 0.000 1.436 260 L HN 0.839 nan 8.230 nan 0.000 0.410 261 G N 0.136 108.753 108.800 -0.305 0.000 2.313 261 G HA2 0.353 4.314 3.960 0.001 0.000 0.296 261 G HA3 0.353 4.314 3.960 0.001 0.000 0.296 261 G C -1.905 172.995 174.900 -0.000 0.000 1.356 261 G CA 0.004 45.154 45.100 0.083 0.000 0.833 261 G HN 0.841 nan 8.290 nan 0.000 0.552 262 S N -0.439 115.390 115.700 0.215 0.000 2.594 262 S HA 0.597 5.068 4.470 0.001 0.000 0.322 262 S C 1.347 176.045 174.600 0.164 0.000 1.085 262 S CA 0.761 59.044 58.200 0.139 0.000 1.116 262 S CB 0.855 64.155 63.200 0.167 0.000 0.979 262 S HN 1.871 nan 8.310 nan 0.000 0.465 263 A N 5.590 128.535 122.820 0.208 0.000 1.892 263 A HA -0.068 4.253 4.320 0.001 0.000 0.218 263 A C 2.021 179.664 177.584 0.098 0.000 1.188 263 A CA 1.472 53.614 52.037 0.175 0.000 0.631 263 A CB -0.920 18.186 19.000 0.176 0.000 0.822 263 A HN 0.830 nan 8.150 nan 0.000 0.447 264 L N -0.973 120.293 121.223 0.072 0.000 2.042 264 L HA -0.159 4.181 4.340 0.001 0.000 0.210 264 L C 1.517 178.403 176.870 0.027 0.000 1.076 264 L CA 1.682 56.544 54.840 0.037 0.000 0.749 264 L CB -0.224 41.854 42.059 0.031 0.000 0.893 264 L HN 0.339 nan 8.230 nan 0.000 0.432 265 K N 0.211 120.636 120.400 0.042 0.000 2.446 265 K HA 0.087 4.408 4.320 0.001 0.000 0.203 265 K C -0.129 176.473 176.600 0.004 0.000 1.027 265 K CA -0.129 56.173 56.287 0.024 0.000 1.166 265 K CB 0.131 32.655 32.500 0.040 0.000 0.869 265 K HN 0.321 nan 8.250 nan 0.000 0.504 266 N N 2.156 120.878 118.700 0.036 0.000 2.727 266 N HA -0.171 4.570 4.740 0.001 0.000 0.249 266 N C -1.036 174.424 175.510 -0.083 0.000 1.048 266 N CA 1.093 54.196 53.050 0.088 0.000 0.714 266 N CB -0.955 37.607 38.487 0.125 0.000 0.959 266 N HN 0.369 nan 8.380 nan 0.000 0.544 267 K N -0.053 120.210 120.400 -0.229 0.000 2.450 267 K HA 0.502 4.822 4.320 0.001 0.000 0.257 267 K C 1.038 177.460 176.600 -0.296 0.000 0.953 267 K CA 0.000 55.866 56.287 -0.702 0.000 0.844 267 K CB 1.879 33.925 32.500 -0.758 0.000 1.103 267 K HN 0.215 nan 8.250 nan 0.000 0.429 268 G N 1.053 109.656 108.800 -0.328 0.000 2.195 268 G HA2 -0.259 3.701 3.960 0.001 0.000 0.224 268 G HA3 -0.259 3.701 3.960 0.001 0.000 0.224 268 G C 0.716 175.574 174.900 -0.070 0.000 0.990 268 G CA 0.123 45.222 45.100 -0.002 0.000 0.639 268 G HN 0.380 nan 8.290 nan 0.000 0.514 269 V N 0.562 120.348 119.914 -0.213 0.000 2.591 269 V HA -0.088 4.032 4.120 0.001 0.000 0.249 269 V C 2.692 178.431 176.094 -0.591 0.000 1.053 269 V CA 2.663 64.734 62.300 -0.381 0.000 1.068 269 V CB -0.134 31.558 31.823 -0.220 0.000 0.689 269 V HN 0.540 nan 8.190 nan 0.000 0.462 270 Q N -0.308 119.105 119.800 -0.645 0.000 2.123 270 Q HA -0.074 4.267 4.340 0.001 0.000 0.199 270 Q C 2.233 178.047 176.000 -0.310 0.000 0.966 270 Q CA 1.305 56.782 55.803 -0.543 0.000 0.845 270 Q CB -0.146 28.400 28.738 -0.320 0.000 0.907 270 Q HN 0.537 nan 8.270 nan 0.000 0.439 271 L N -0.006 121.062 121.223 -0.259 0.000 2.141 271 L HA -0.160 4.181 4.340 0.001 0.000 0.209 271 L C 2.203 178.885 176.870 -0.314 0.000 1.094 271 L CA 0.343 55.064 54.840 -0.199 0.000 0.763 271 L CB -0.327 41.670 42.059 -0.105 0.000 0.908 271 L HN 0.241 nan 8.230 nan 0.000 0.437 272 L N -0.606 120.373 121.223 -0.407 0.000 2.131 272 L HA -0.188 4.153 4.340 0.001 0.000 0.210 272 L C 2.207 178.743 176.870 -0.557 0.000 1.092 272 L CA 1.634 56.124 54.840 -0.584 0.000 0.759 272 L CB -0.362 41.265 42.059 -0.720 0.000 0.903 272 L HN 0.094 nan 8.230 nan 0.000 0.435 273 L N -0.608 120.256 121.223 -0.597 0.000 2.109 273 L HA -0.147 4.194 4.340 0.001 0.000 0.207 273 L C 2.181 178.826 176.870 -0.374 0.000 1.086 273 L CA 1.445 55.846 54.840 -0.732 0.000 0.760 273 L CB -1.439 39.671 42.059 -1.583 0.000 0.910 273 L HN 0.306 nan 8.230 nan 0.000 0.437 274 D N -0.327 119.991 120.400 -0.138 0.000 2.144 274 D HA -0.134 4.507 4.640 0.001 0.000 0.199 274 D C 2.183 178.383 176.300 -0.166 0.000 0.984 274 D CA 1.387 55.388 54.000 0.001 0.000 0.834 274 D CB 0.086 40.900 40.800 0.022 0.000 0.955 274 D HN 0.301 nan 8.370 nan 0.000 0.465 275 A N 0.453 123.092 122.820 -0.301 0.000 1.968 275 A HA -0.079 4.242 4.320 0.001 0.000 0.217 275 A C 2.488 179.983 177.584 -0.147 0.000 1.169 275 A CA 0.757 52.625 52.037 -0.280 0.000 0.638 275 A CB -0.533 17.920 19.000 -0.912 0.000 0.812 275 A HN 0.129 nan 8.150 nan 0.000 0.446 276 V N -0.084 119.711 119.914 -0.198 0.000 2.287 276 V HA -0.252 3.869 4.120 0.001 0.000 0.248 276 V C 2.695 178.741 176.094 -0.080 0.000 1.053 276 V CA 2.144 64.375 62.300 -0.115 0.000 1.027 276 V CB -0.843 30.891 31.823 -0.148 0.000 0.646 276 V HN 0.560 nan 8.190 nan 0.000 0.447 277 V N -0.252 119.592 119.914 -0.117 0.000 2.323 277 V HA -0.210 3.911 4.120 0.001 0.000 0.244 277 V C 2.155 178.130 176.094 -0.199 0.000 1.041 277 V CA 2.484 64.686 62.300 -0.164 0.000 1.025 277 V CB -0.711 30.837 31.823 -0.458 0.000 0.656 277 V HN 0.512 nan 8.190 nan 0.000 0.451 278 D N -0.512 119.689 120.400 -0.331 0.000 2.123 278 D HA -0.146 4.494 4.640 0.001 0.000 0.196 278 D C 1.841 177.790 176.300 -0.585 0.000 0.992 278 D CA 2.429 56.069 54.000 -0.599 0.000 0.833 278 D CB -0.173 39.992 40.800 -1.059 0.000 0.954 278 D HN 0.727 nan 8.370 nan 0.000 0.455 279 Y N -1.091 119.233 120.300 0.039 0.000 2.452 279 Y HA 0.240 4.790 4.550 0.001 0.000 0.262 279 Y C 0.579 176.500 175.900 0.036 0.000 1.089 279 Y CA -0.641 57.492 58.100 0.055 0.000 1.262 279 Y CB 0.217 38.743 38.460 0.109 0.000 1.236 279 Y HN -0.156 nan 8.280 nan 0.000 0.512 280 L N 3.688 124.993 121.223 0.137 0.000 2.418 280 L HA 0.346 4.686 4.340 0.001 0.000 0.265 280 L C -2.273 174.632 176.870 0.058 0.000 1.143 280 L CA -2.691 52.200 54.840 0.085 0.000 0.809 280 L CB 0.138 42.225 42.059 0.046 0.000 1.124 280 L HN -0.106 nan 8.230 nan 0.000 0.456 281 P HA 0.168 nan 4.420 nan 0.000 0.278 281 P C -0.716 176.599 177.300 0.025 0.000 1.238 281 P CA -0.483 62.638 63.100 0.034 0.000 0.794 281 P CB 1.023 32.739 31.700 0.026 0.000 0.955 282 S N 2.502 118.214 115.700 0.021 0.000 2.624 282 S HA 0.307 4.777 4.470 0.001 0.000 0.263 282 S C -1.697 172.908 174.600 0.007 0.000 1.287 282 S CA -1.069 57.134 58.200 0.005 0.000 0.990 282 S CB -0.138 63.053 63.200 -0.014 0.000 0.950 282 S HN 0.252 nan 8.310 nan 0.000 0.561 283 P HA 0.055 nan 4.420 nan 0.000 0.234 283 P C 1.094 178.418 177.300 0.040 0.000 1.167 283 P CA 0.197 63.311 63.100 0.024 0.000 0.763 283 P CB -0.012 31.700 31.700 0.020 0.000 0.835 284 L N 0.078 121.314 121.223 0.022 0.000 2.179 284 L HA -0.047 4.293 4.340 0.001 0.000 0.208 284 L C 1.705 178.591 176.870 0.027 0.000 1.096 284 L CA 1.831 56.684 54.840 0.022 0.000 0.779 284 L CB -1.440 40.620 42.059 0.001 0.000 0.922 284 L HN -0.007 nan 8.230 nan 0.000 0.443 285 D N -0.182 120.233 120.400 0.025 0.000 2.277 285 D HA 0.021 4.662 4.640 0.001 0.000 0.208 285 D C 0.871 177.190 176.300 0.031 0.000 0.962 285 D CA 0.482 54.497 54.000 0.025 0.000 0.865 285 D CB 0.440 41.254 40.800 0.024 0.000 0.939 285 D HN 0.348 nan 8.370 nan 0.000 0.510 286 I N -1.580 119.014 120.570 0.039 0.000 2.676 286 I HA 0.414 4.584 4.170 0.001 0.000 0.309 286 I C -2.515 173.636 176.117 0.058 0.000 0.990 286 I CA -2.521 58.805 61.300 0.043 0.000 1.168 286 I CB 0.012 38.038 38.000 0.043 0.000 1.343 286 I HN -0.384 nan 8.210 nan 0.000 0.482 287 P HA 0.189 nan 4.420 nan 0.000 0.267 287 P C -2.491 174.855 177.300 0.077 0.000 1.200 287 P CA -0.502 62.636 63.100 0.064 0.000 0.772 287 P CB -0.524 31.203 31.700 0.046 0.000 0.855 288 P HA 0.035 nan 4.420 nan 0.000 0.266 288 P C 0.045 177.347 177.300 0.003 0.000 1.195 288 P CA -0.073 63.078 63.100 0.085 0.000 0.768 288 P CB 0.217 31.966 31.700 0.082 0.000 0.838 289 I N 2.798 123.344 120.570 -0.041 0.000 2.752 289 I HA 0.000 4.170 4.170 0.001 0.000 0.287 289 I C 0.475 176.489 176.117 -0.171 0.000 1.188 289 I CA 0.038 61.236 61.300 -0.170 0.000 1.427 289 I CB -0.075 37.615 38.000 -0.517 0.000 1.365 289 I HN 0.201 nan 8.210 nan 0.000 0.585 290 K N 4.438 124.750 120.400 -0.146 0.000 2.156 290 K HA 0.692 5.013 4.320 0.001 0.000 0.271 290 K C -0.178 176.344 176.600 -0.131 0.000 0.995 290 K CA -0.410 55.807 56.287 -0.116 0.000 0.890 290 K CB 1.383 33.839 32.500 -0.072 0.000 1.073 290 K HN 0.844 nan 8.250 nan 0.000 0.454 291 G N 0.513 109.246 108.800 -0.110 0.000 2.658 291 G HA2 0.510 4.471 3.960 0.001 0.000 0.292 291 G HA3 0.510 4.471 3.960 0.001 0.000 0.292 291 G C -1.235 173.629 174.900 -0.060 0.000 1.320 291 G CA -0.603 44.442 45.100 -0.091 0.000 0.933 291 G HN 0.454 nan 8.290 nan 0.000 0.476 292 T N 0.308 114.836 114.554 -0.043 0.000 2.792 292 T HA 0.554 4.904 4.350 0.001 0.000 0.280 292 T C 0.685 175.375 174.700 -0.016 0.000 0.990 292 T CA -0.450 61.634 62.100 -0.028 0.000 0.960 292 T CB 1.320 70.175 68.868 -0.022 0.000 0.939 292 T HN 0.904 nan 8.240 nan 0.000 0.439 293 T N 0.874 115.420 114.554 -0.013 0.000 2.795 293 T HA 0.160 4.511 4.350 0.001 0.000 0.314 293 T C -1.628 173.074 174.700 0.004 0.000 1.069 293 T CA -1.196 60.902 62.100 -0.003 0.000 1.071 293 T CB -0.027 68.838 68.868 -0.005 0.000 0.988 293 T HN 0.187 nan 8.240 nan 0.000 0.543 294 P HA -0.070 nan 4.420 nan 0.000 0.221 294 P C 1.179 178.484 177.300 0.009 0.000 1.145 294 P CA 1.035 64.145 63.100 0.016 0.000 0.795 294 P CB -0.017 31.697 31.700 0.023 0.000 0.775 295 E N -1.678 118.524 120.200 0.004 0.000 2.285 295 E HA 0.072 4.422 4.350 0.001 0.000 0.194 295 E C 1.489 178.088 176.600 -0.001 0.000 0.997 295 E CA 0.848 57.249 56.400 0.001 0.000 0.845 295 E CB -0.385 29.315 29.700 -0.001 0.000 0.782 295 E HN 0.246 nan 8.360 nan 0.000 0.491 296 G N 2.476 111.274 108.800 -0.003 0.000 2.179 296 G HA2 -0.311 3.650 3.960 0.001 0.000 0.220 296 G HA3 -0.311 3.650 3.960 0.001 0.000 0.220 296 G C 0.106 175.000 174.900 -0.010 0.000 0.990 296 G CA 0.223 45.319 45.100 -0.006 0.000 0.646 296 G HN 0.377 nan 8.290 nan 0.000 0.517 297 E N 1.081 121.274 120.200 -0.010 0.000 2.366 297 E HA 0.378 4.728 4.350 0.001 0.000 0.266 297 E C 0.279 176.868 176.600 -0.020 0.000 1.015 297 E CA -0.423 55.969 56.400 -0.013 0.000 0.906 297 E CB 0.815 30.508 29.700 -0.012 0.000 0.979 297 E HN 0.129 nan 8.360 nan 0.000 0.443 298 V N 5.279 125.179 119.914 -0.023 0.000 2.614 298 V HA 0.219 4.339 4.120 0.001 0.000 0.291 298 V C 0.024 176.094 176.094 -0.039 0.000 1.049 298 V CA -0.182 62.099 62.300 -0.032 0.000 1.038 298 V CB 1.344 33.149 31.823 -0.030 0.000 0.980 298 V HN 0.591 nan 8.190 nan 0.000 0.481 299 V N 5.088 124.970 119.914 -0.054 0.000 2.925 299 V HA 0.510 4.631 4.120 0.001 0.000 0.311 299 V C -0.339 175.692 176.094 -0.105 0.000 1.104 299 V CA -0.606 61.651 62.300 -0.071 0.000 0.954 299 V CB 2.350 34.133 31.823 -0.065 0.000 1.022 299 V HN 0.969 nan 8.190 nan 0.000 0.427 300 E N 5.164 125.276 120.200 -0.146 0.000 2.313 300 E HA 0.372 4.723 4.350 0.001 0.000 0.276 300 E C -0.948 175.463 176.600 -0.315 0.000 1.031 300 E CA -0.504 55.766 56.400 -0.218 0.000 0.857 300 E CB 1.401 30.955 29.700 -0.244 0.000 1.040 300 E HN 0.419 nan 8.360 nan 0.000 0.408 301 I N 4.519 124.947 120.570 -0.237 0.000 2.330 301 I HA 0.151 4.322 4.170 0.001 0.000 0.286 301 I C 0.059 176.133 176.117 -0.072 0.000 1.025 301 I CA -0.558 60.648 61.300 -0.157 0.000 1.197 301 I CB 0.183 38.131 38.000 -0.085 0.000 1.358 301 I HN 0.379 nan 8.210 nan 0.000 0.467 302 H N 7.465 126.561 119.070 0.044 0.000 2.582 302 H HA 0.237 4.793 4.556 0.001 0.000 0.345 302 H C -1.884 173.489 175.328 0.076 0.000 1.104 302 H CA -2.001 54.079 56.048 0.054 0.000 1.390 302 H CB 0.769 30.556 29.762 0.041 0.000 1.461 302 H HN 0.285 nan 8.280 nan 0.000 0.551 303 P HA 0.040 nan 4.420 nan 0.000 0.252 303 P C -0.493 176.889 177.300 0.137 0.000 1.727 303 P CA -0.107 63.091 63.100 0.164 0.000 1.134 303 P CB -0.178 31.606 31.700 0.140 0.000 1.876 304 D N 4.238 124.716 120.400 0.131 0.000 2.440 304 D HA 0.192 4.832 4.640 0.001 0.000 0.239 304 D C -1.505 174.845 176.300 0.083 0.000 1.084 304 D CA -2.630 51.432 54.000 0.103 0.000 0.843 304 D CB 1.639 42.498 40.800 0.098 0.000 1.097 304 D HN 0.072 nan 8.370 nan 0.000 0.531 305 P HA -0.030 nan 4.420 nan 0.000 0.226 305 P C 0.151 177.453 177.300 0.002 0.000 1.153 305 P CA 0.549 63.665 63.100 0.028 0.000 0.777 305 P CB 0.471 32.194 31.700 0.039 0.000 0.794 306 N N -0.391 118.325 118.700 0.026 0.000 2.230 306 N HA 0.101 4.842 4.740 0.001 0.000 0.202 306 N C 1.202 176.727 175.510 0.025 0.000 1.119 306 N CA 0.152 53.212 53.050 0.017 0.000 0.851 306 N CB 0.342 38.842 38.487 0.021 0.000 0.990 306 N HN 0.117 nan 8.380 nan 0.000 0.497 307 G N 1.849 110.671 108.800 0.037 0.000 2.563 307 G HA2 0.300 4.260 3.960 0.001 0.000 0.283 307 G HA3 0.300 4.260 3.960 0.001 0.000 0.283 307 G C -2.394 172.526 174.900 0.035 0.000 1.309 307 G CA -0.817 44.308 45.100 0.042 0.000 1.022 307 G HN -0.036 nan 8.290 nan 0.000 0.501 308 P HA 0.137 nan 4.420 nan 0.000 0.271 308 P C -0.282 177.044 177.300 0.043 0.000 1.216 308 P CA -0.490 62.630 63.100 0.034 0.000 0.776 308 P CB 1.236 32.955 31.700 0.030 0.000 0.881 309 L N 2.830 124.078 121.223 0.042 0.000 2.453 309 L HA 0.395 4.735 4.340 0.001 0.000 0.272 309 L C -0.242 176.669 176.870 0.068 0.000 1.182 309 L CA 0.461 55.331 54.840 0.051 0.000 0.858 309 L CB -0.386 41.700 42.059 0.045 0.000 1.120 309 L HN 0.578 nan 8.230 nan 0.000 0.474 310 A N 4.539 127.412 122.820 0.088 0.000 2.437 310 A HA 0.923 5.244 4.320 0.001 0.000 0.293 310 A C -1.121 176.562 177.584 0.165 0.000 1.038 310 A CA 0.056 52.159 52.037 0.109 0.000 0.708 310 A CB 1.302 20.358 19.000 0.094 0.000 1.251 310 A HN 1.329 nan 8.150 nan 0.000 0.409 311 A N 1.884 124.803 122.820 0.164 0.000 2.594 311 A HA 0.773 5.093 4.320 0.001 0.000 0.295 311 A C -1.703 176.002 177.584 0.202 0.000 1.071 311 A CA -0.388 51.764 52.037 0.191 0.000 0.685 311 A CB 1.335 20.395 19.000 0.101 0.000 1.285 311 A HN 1.296 nan 8.150 nan 0.000 0.405 312 L N 2.022 123.400 121.223 0.258 0.000 2.333 312 L HA 0.712 5.053 4.340 0.001 0.000 0.280 312 L C 0.322 177.335 176.870 0.238 0.000 1.004 312 L CA -0.509 54.478 54.840 0.246 0.000 0.820 312 L CB 1.322 43.590 42.059 0.348 0.000 1.247 312 L HN 1.012 nan 8.230 nan 0.000 0.416 313 A N 4.417 127.331 122.820 0.157 0.000 2.409 313 A HA 0.324 4.645 4.320 0.001 0.000 0.267 313 A C -0.041 177.651 177.584 0.180 0.000 1.127 313 A CA -0.244 51.862 52.037 0.115 0.000 0.795 313 A CB -0.083 18.933 19.000 0.027 0.000 1.061 313 A HN 0.778 nan 8.150 nan 0.000 0.502 314 F N 0.258 120.236 119.950 0.047 0.000 2.817 314 F HA 0.566 5.093 4.527 0.001 0.000 0.333 314 F C 0.114 175.915 175.800 0.002 0.000 1.085 314 F CA -0.503 57.505 58.000 0.015 0.000 1.170 314 F CB 0.664 39.665 39.000 0.002 0.000 1.066 314 F HN 0.308 nan 8.300 nan 0.000 0.564 315 K N 1.981 122.079 120.400 -0.502 0.000 2.571 315 K HA 0.337 4.657 4.320 0.001 0.000 0.252 315 K C -1.460 175.075 176.600 -0.108 0.000 0.956 315 K CA -0.337 55.767 56.287 -0.304 0.000 0.822 315 K CB 2.493 34.719 32.500 -0.458 0.000 1.286 315 K HN -0.000 nan 8.250 nan 0.000 0.439 316 I N 3.207 123.748 120.570 -0.047 0.000 2.499 316 I HA 0.461 4.632 4.170 0.001 0.000 0.296 316 I C 0.097 176.242 176.117 0.046 0.000 0.992 316 I CA -0.716 60.586 61.300 0.003 0.000 1.297 316 I CB 1.102 39.093 38.000 -0.014 0.000 1.410 316 I HN 0.632 nan 8.210 nan 0.000 0.507 317 M N 4.164 123.812 119.600 0.080 0.000 2.182 317 M HA 0.509 4.989 4.480 0.001 0.000 0.266 317 M C -0.617 175.723 176.300 0.065 0.000 0.989 317 M CA -0.196 55.168 55.300 0.106 0.000 1.003 317 M CB 1.784 34.547 32.600 0.271 0.000 1.812 317 M HN 0.686 nan 8.290 nan 0.000 0.472 318 A N 2.763 125.611 122.820 0.048 0.000 2.462 318 A HA 0.439 4.759 4.320 0.001 0.000 0.243 318 A C -0.690 176.907 177.584 0.022 0.000 1.076 318 A CA 0.303 52.357 52.037 0.029 0.000 0.773 318 A CB 0.133 19.152 19.000 0.032 0.000 1.010 318 A HN 0.778 nan 8.150 nan 0.000 0.493 319 D N 0.931 121.331 120.400 0.001 0.000 2.738 319 D HA 0.582 5.223 4.640 0.001 0.000 0.237 319 D C -2.185 174.058 176.300 -0.096 0.000 1.123 319 D CA -1.382 52.611 54.000 -0.011 0.000 0.856 319 D CB 1.836 42.663 40.800 0.045 0.000 1.552 319 D HN 0.158 nan 8.370 nan 0.000 0.480 320 P HA 0.119 nan 4.420 nan 0.000 0.245 320 P C -0.326 176.633 177.300 -0.569 0.000 1.212 320 P CA 0.643 63.478 63.100 -0.442 0.000 0.774 320 P CB 0.176 31.513 31.700 -0.605 0.000 0.999 321 Y N -1.504 118.795 120.300 -0.002 0.000 2.886 321 Y HA 0.074 4.624 4.550 0.001 0.000 0.244 321 Y C 2.108 178.002 175.900 -0.010 0.000 1.017 321 Y CA 0.100 58.198 58.100 -0.004 0.000 1.389 321 Y CB -0.761 37.698 38.460 -0.001 0.000 1.477 321 Y HN -0.281 nan 8.280 nan 0.000 0.466 322 V N -1.216 118.801 119.914 0.171 0.000 3.541 322 V HA 0.644 4.765 4.120 0.001 0.000 0.267 322 V C 0.974 177.082 176.094 0.023 0.000 1.213 322 V CA 0.490 62.834 62.300 0.072 0.000 1.149 322 V CB -0.614 31.236 31.823 0.045 0.000 0.822 322 V HN 0.680 nan 8.190 nan 0.000 0.462 323 G N 1.098 109.907 108.800 0.016 0.000 2.542 323 G HA2 -0.298 3.662 3.960 0.001 0.000 0.235 323 G HA3 -0.298 3.662 3.960 0.001 0.000 0.235 323 G C -0.013 174.880 174.900 -0.012 0.000 1.286 323 G CA 0.083 45.180 45.100 -0.005 0.000 0.904 323 G HN 0.837 nan 8.290 nan 0.000 0.577 324 R N 0.214 120.703 120.500 -0.018 0.000 2.458 324 R HA 0.345 4.685 4.340 0.001 0.000 0.303 324 R C -0.248 176.018 176.300 -0.057 0.000 1.013 324 R CA 0.134 56.219 56.100 -0.025 0.000 1.026 324 R CB -0.431 29.855 30.300 -0.023 0.000 0.948 324 R HN 0.436 nan 8.270 nan 0.000 0.417 325 L N 4.395 125.577 121.223 -0.068 0.000 2.325 325 L HA 0.254 4.595 4.340 0.001 0.000 0.281 325 L C 0.135 176.902 176.870 -0.172 0.000 1.004 325 L CA -0.652 54.084 54.840 -0.173 0.000 0.823 325 L CB 2.039 43.956 42.059 -0.237 0.000 1.236 325 L HN 0.666 nan 8.230 nan 0.000 0.415 326 T N 2.458 116.884 114.554 -0.212 0.000 2.743 326 T HA 0.465 4.815 4.350 0.001 0.000 0.292 326 T C -0.431 174.105 174.700 -0.273 0.000 0.972 326 T CA -0.275 61.728 62.100 -0.163 0.000 0.967 326 T CB 0.025 68.831 68.868 -0.105 0.000 0.926 326 T HN 0.154 nan 8.240 nan 0.000 0.459 327 F N 5.358 125.130 119.950 -0.296 0.000 2.427 327 F HA 0.545 5.073 4.527 0.001 0.000 0.352 327 F C 0.636 176.228 175.800 -0.347 0.000 1.100 327 F CA -0.755 57.017 58.000 -0.380 0.000 1.191 327 F CB 0.818 39.417 39.000 -0.668 0.000 1.128 327 F HN 0.627 nan 8.300 nan 0.000 0.533 328 I N 0.512 121.150 120.570 0.113 0.000 2.934 328 I HA 0.748 4.918 4.170 0.001 0.000 0.306 328 I C -0.973 175.336 176.117 0.320 0.000 1.110 328 I CA -1.348 60.093 61.300 0.235 0.000 1.019 328 I CB 2.219 40.269 38.000 0.083 0.000 1.227 328 I HN 0.384 nan 8.210 nan 0.000 0.434 329 R N 3.513 124.133 120.500 0.200 0.000 2.388 329 R HA 0.608 4.948 4.340 0.001 0.000 0.314 329 R C -1.873 174.304 176.300 -0.205 0.000 0.959 329 R CA -0.685 55.356 56.100 -0.098 0.000 0.851 329 R CB 1.228 31.327 30.300 -0.336 0.000 1.168 329 R HN 0.635 nan 8.270 nan 0.000 0.472 330 V N 7.283 127.101 119.914 -0.159 0.000 2.439 330 V HA 0.088 4.209 4.120 0.001 0.000 0.271 330 V C 0.337 176.308 176.094 -0.205 0.000 1.040 330 V CA 0.179 62.420 62.300 -0.100 0.000 1.002 330 V CB 0.328 32.122 31.823 -0.048 0.000 1.000 330 V HN 0.788 nan 8.190 nan 0.000 0.477 331 Y N 2.432 122.750 120.300 0.030 0.000 2.343 331 Y HA 0.130 4.681 4.550 0.001 0.000 0.294 331 Y C 1.677 177.602 175.900 0.041 0.000 1.122 331 Y CA 1.063 59.181 58.100 0.030 0.000 1.173 331 Y CB 0.396 38.867 38.460 0.018 0.000 1.077 331 Y HN 0.594 nan 8.280 nan 0.000 0.542 332 S N -1.207 114.606 115.700 0.189 0.000 2.634 332 S HA 0.608 5.079 4.470 0.001 0.000 0.296 332 S C 0.089 174.733 174.600 0.074 0.000 1.104 332 S CA -0.131 58.142 58.200 0.122 0.000 0.920 332 S CB 0.948 64.213 63.200 0.110 0.000 1.111 332 S HN 0.764 nan 8.310 nan 0.000 0.493 333 G N 1.762 110.593 108.800 0.053 0.000 2.601 333 G HA2 -0.159 3.802 3.960 0.001 0.000 0.261 333 G HA3 -0.159 3.802 3.960 0.001 0.000 0.261 333 G C -0.405 174.485 174.900 -0.017 0.000 1.289 333 G CA 0.079 45.192 45.100 0.021 0.000 0.920 333 G HN 1.149 nan 8.290 nan 0.000 0.571 334 T N 0.122 114.658 114.554 -0.030 0.000 2.886 334 T HA 0.544 4.895 4.350 0.001 0.000 0.292 334 T C -0.734 173.941 174.700 -0.041 0.000 1.012 334 T CA -0.259 61.801 62.100 -0.066 0.000 0.982 334 T CB 1.806 70.621 68.868 -0.089 0.000 1.018 334 T HN 1.030 nan 8.240 nan 0.000 0.451 335 L N 2.960 124.153 121.223 -0.049 0.000 2.296 335 L HA 0.689 5.029 4.340 0.001 0.000 0.286 335 L C -0.207 176.634 176.870 -0.049 0.000 1.023 335 L CA 0.185 55.004 54.840 -0.035 0.000 0.812 335 L CB 1.519 43.559 42.059 -0.031 0.000 1.223 335 L HN 0.586 nan 8.230 nan 0.000 0.421 336 T N 2.969 117.497 114.554 -0.042 0.000 2.823 336 T HA 0.438 4.788 4.350 0.001 0.000 0.279 336 T C -0.392 174.273 174.700 -0.058 0.000 0.998 336 T CA -0.391 61.680 62.100 -0.048 0.000 0.994 336 T CB 1.022 69.867 68.868 -0.038 0.000 0.960 336 T HN 0.794 nan 8.240 nan 0.000 0.448 337 S N 2.287 117.950 115.700 -0.061 0.000 2.549 337 S HA 0.489 4.960 4.470 0.001 0.000 0.279 337 S C 1.295 175.848 174.600 -0.079 0.000 1.321 337 S CA 0.273 58.430 58.200 -0.072 0.000 1.054 337 S CB 0.444 63.605 63.200 -0.064 0.000 0.899 337 S HN 1.429 nan 8.310 nan 0.000 0.497 338 G N 1.886 110.621 108.800 -0.108 0.000 2.132 338 G HA2 -0.227 3.734 3.960 0.001 0.000 0.234 338 G HA3 -0.227 3.734 3.960 0.001 0.000 0.234 338 G C 0.156 174.956 174.900 -0.166 0.000 0.989 338 G CA 0.218 45.238 45.100 -0.133 0.000 0.676 338 G HN 1.766 nan 8.290 nan 0.000 0.522 339 S N -1.033 114.572 115.700 -0.159 0.000 2.747 339 S HA 0.830 5.301 4.470 0.001 0.000 0.300 339 S C -0.438 174.027 174.600 -0.225 0.000 1.121 339 S CA -0.948 57.179 58.200 -0.120 0.000 0.995 339 S CB 1.772 64.953 63.200 -0.031 0.000 1.113 339 S HN 0.430 nan 8.310 nan 0.000 0.547 340 Y N 0.155 120.460 120.300 0.009 0.000 2.360 340 Y HA 0.563 5.114 4.550 0.001 0.000 0.337 340 Y C 0.308 176.229 175.900 0.035 0.000 1.039 340 Y CA -0.743 57.370 58.100 0.021 0.000 1.109 340 Y CB 1.861 40.338 38.460 0.028 0.000 1.201 340 Y HN 0.715 nan 8.280 nan 0.000 0.458 341 V N 0.574 120.603 119.914 0.191 0.000 2.815 341 V HA 0.531 4.652 4.120 0.001 0.000 0.314 341 V C -1.555 174.655 176.094 0.194 0.000 1.064 341 V CA -1.231 61.161 62.300 0.155 0.000 0.952 341 V CB 1.892 33.765 31.823 0.084 0.000 1.020 341 V HN 0.641 nan 8.190 nan 0.000 0.439 342 Y N 3.267 123.598 120.300 0.051 0.000 2.341 342 Y HA 0.468 5.019 4.550 0.001 0.000 0.340 342 Y C 0.441 176.359 175.900 0.029 0.000 0.997 342 Y CA -0.652 57.469 58.100 0.036 0.000 1.149 342 Y CB 1.040 39.513 38.460 0.023 0.000 1.171 342 Y HN 0.904 nan 8.280 nan 0.000 0.494 343 N N 3.986 122.397 118.700 -0.483 0.000 2.415 343 N HA -0.024 4.717 4.740 0.001 0.000 0.250 343 N C 0.906 176.057 175.510 -0.598 0.000 1.127 343 N CA 0.622 53.438 53.050 -0.391 0.000 0.945 343 N CB 0.991 39.322 38.487 -0.260 0.000 1.196 343 N HN 0.908 nan 8.380 nan 0.000 0.499 344 T N -0.063 114.317 114.554 -0.289 0.000 2.995 344 T HA -0.085 4.266 4.350 0.001 0.000 0.269 344 T C 1.454 176.110 174.700 -0.073 0.000 1.091 344 T CA 1.330 63.365 62.100 -0.107 0.000 1.128 344 T CB -0.155 68.765 68.868 0.087 0.000 0.891 344 T HN 0.362 nan 8.240 nan 0.000 0.492 345 T N 1.250 115.751 114.554 -0.088 0.000 2.698 345 T HA 0.122 4.472 4.350 0.001 0.000 0.260 345 T C 1.120 175.781 174.700 -0.064 0.000 1.044 345 T CA 0.711 62.780 62.100 -0.052 0.000 1.149 345 T CB -0.105 68.738 68.868 -0.042 0.000 0.864 345 T HN 0.305 nan 8.240 nan 0.000 0.419 346 K N 0.854 121.191 120.400 -0.103 0.000 2.614 346 K HA 0.527 4.847 4.320 0.001 0.000 0.275 346 K C 0.762 177.275 176.600 -0.146 0.000 1.055 346 K CA 0.133 56.359 56.287 -0.103 0.000 0.961 346 K CB -0.122 32.314 32.500 -0.108 0.000 1.220 346 K HN 0.327 nan 8.250 nan 0.000 0.491 347 G N 0.490 109.216 108.800 -0.124 0.000 4.142 347 G HA2 0.432 4.393 3.960 0.001 0.000 0.310 347 G HA3 0.432 4.393 3.960 0.001 0.000 0.310 347 G C -1.191 173.680 174.900 -0.048 0.000 1.384 347 G CA -0.563 44.482 45.100 -0.091 0.000 0.838 347 G HN 0.431 nan 8.290 nan 0.000 0.512 348 R N -0.592 119.776 120.500 -0.221 0.000 2.680 348 R HA 0.573 4.914 4.340 0.001 0.000 0.269 348 R C -0.995 175.283 176.300 -0.038 0.000 1.026 348 R CA -1.113 54.965 56.100 -0.037 0.000 0.889 348 R CB 1.643 31.928 30.300 -0.026 0.000 1.241 348 R HN 0.005 nan 8.270 nan 0.000 0.463 349 K N 1.340 121.815 120.400 0.125 0.000 2.326 349 K HA 0.154 4.474 4.320 0.001 0.000 0.275 349 K C -0.485 176.190 176.600 0.124 0.000 1.018 349 K CA -0.056 56.325 56.287 0.156 0.000 0.962 349 K CB 0.805 33.356 32.500 0.086 0.000 0.953 349 K HN 0.488 nan 8.250 nan 0.000 0.475 350 E N 1.696 121.994 120.200 0.163 0.000 2.336 350 E HA 0.229 4.579 4.350 0.001 0.000 0.267 350 E C -0.976 175.733 176.600 0.182 0.000 0.906 350 E CA -1.107 55.376 56.400 0.139 0.000 0.781 350 E CB 2.199 31.922 29.700 0.040 0.000 1.261 350 E HN 0.196 nan 8.360 nan 0.000 0.436 351 R N 1.460 121.997 120.500 0.062 0.000 2.207 351 R HA 0.192 4.532 4.340 0.001 0.000 0.334 351 R C -1.075 175.134 176.300 -0.152 0.000 1.013 351 R CA -0.577 55.419 56.100 -0.173 0.000 0.858 351 R CB 0.477 30.674 30.300 -0.172 0.000 1.094 351 R HN 0.309 nan 8.270 nan 0.000 0.457 352 V N 4.904 124.709 119.914 -0.181 0.000 2.405 352 V HA 0.495 4.615 4.120 0.001 0.000 0.264 352 V C 0.625 176.627 176.094 -0.152 0.000 1.048 352 V CA 0.673 62.893 62.300 -0.133 0.000 0.966 352 V CB 0.540 32.305 31.823 -0.098 0.000 1.015 352 V HN 0.901 nan 8.190 nan 0.000 0.477 353 A N 6.954 129.701 122.820 -0.121 0.000 1.861 353 A HA 0.400 4.721 4.320 0.001 0.000 0.212 353 A C 1.341 178.870 177.584 -0.091 0.000 1.199 353 A CA 0.549 52.522 52.037 -0.107 0.000 0.613 353 A CB 0.078 19.028 19.000 -0.084 0.000 0.846 353 A HN 0.807 nan 8.150 nan 0.000 0.446 354 R N -2.069 118.379 120.500 -0.088 0.000 2.739 354 R HA 0.699 5.039 4.340 0.001 0.000 0.271 354 R C -1.823 174.422 176.300 -0.090 0.000 1.010 354 R CA -0.545 55.508 56.100 -0.079 0.000 0.897 354 R CB 1.688 31.947 30.300 -0.068 0.000 1.236 354 R HN 0.252 nan 8.270 nan 0.000 0.466 355 L N 2.463 123.637 121.223 -0.082 0.000 2.362 355 L HA 0.667 5.007 4.340 0.001 0.000 0.271 355 L C -1.038 175.780 176.870 -0.087 0.000 1.002 355 L CA -0.832 53.952 54.840 -0.093 0.000 0.818 355 L CB 1.776 43.789 42.059 -0.077 0.000 1.298 355 L HN 0.336 nan 8.230 nan 0.000 0.420 356 L N 2.184 123.340 121.223 -0.112 0.000 2.409 356 L HA 0.613 4.953 4.340 0.001 0.000 0.262 356 L C -0.705 176.111 176.870 -0.090 0.000 0.992 356 L CA -0.728 54.055 54.840 -0.094 0.000 0.817 356 L CB 2.630 44.621 42.059 -0.113 0.000 1.350 356 L HN 0.538 nan 8.230 nan 0.000 0.411 357 R N 2.220 122.685 120.500 -0.059 0.000 2.589 357 R HA 0.639 4.979 4.340 0.001 0.000 0.293 357 R C -1.085 175.157 176.300 -0.096 0.000 0.963 357 R CA -0.957 55.083 56.100 -0.100 0.000 0.905 357 R CB 1.923 32.133 30.300 -0.150 0.000 1.144 357 R HN 0.376 nan 8.270 nan 0.000 0.459 358 M N 3.813 123.354 119.600 -0.098 0.000 2.080 358 M HA 0.298 4.779 4.480 0.001 0.000 0.350 358 M C 0.047 176.235 176.300 -0.186 0.000 1.173 358 M CA -0.155 55.118 55.300 -0.045 0.000 1.052 358 M CB 0.658 33.310 32.600 0.087 0.000 1.577 358 M HN 0.494 nan 8.290 nan 0.000 0.455 359 H N 0.942 119.936 119.070 -0.125 0.000 2.530 359 H HA 0.466 5.022 4.556 0.001 0.000 0.342 359 H C 0.817 176.165 175.328 0.033 0.000 1.312 359 H CA -0.394 55.607 56.048 -0.077 0.000 1.376 359 H CB 1.101 30.753 29.762 -0.182 0.000 1.692 359 H HN 0.746 nan 8.280 nan 0.000 0.622 360 A N 0.611 123.566 122.820 0.225 0.000 1.930 360 A HA -0.188 4.132 4.320 0.001 0.000 0.217 360 A C 1.399 179.082 177.584 0.165 0.000 1.175 360 A CA 1.932 54.061 52.037 0.154 0.000 0.627 360 A CB -0.274 18.810 19.000 0.140 0.000 0.815 360 A HN 0.640 nan 8.150 nan 0.000 0.443 361 N N -1.761 117.086 118.700 0.246 0.000 2.257 361 N HA 0.124 4.865 4.740 0.001 0.000 0.200 361 N C 0.070 175.730 175.510 0.249 0.000 1.163 361 N CA 0.581 53.747 53.050 0.193 0.000 0.891 361 N CB 0.538 39.095 38.487 0.117 0.000 1.067 361 N HN 0.809 nan 8.380 nan 0.000 0.497 362 H N -1.762 117.349 119.070 0.069 0.000 2.990 362 H HA 0.563 5.119 4.556 0.001 0.000 0.343 362 H C -0.900 174.483 175.328 0.092 0.000 1.270 362 H CA -0.825 55.243 56.048 0.034 0.000 1.118 362 H CB 0.828 30.576 29.762 -0.023 0.000 1.861 362 H HN -0.248 nan 8.280 nan 0.000 0.544 363 R N 0.056 120.532 120.500 -0.040 0.000 2.598 363 R HA 0.416 4.756 4.340 0.001 0.000 0.279 363 R C -0.437 175.802 176.300 -0.101 0.000 0.984 363 R CA -0.749 55.314 56.100 -0.062 0.000 0.999 363 R CB 1.649 31.931 30.300 -0.031 0.000 1.114 363 R HN 0.726 nan 8.270 nan 0.000 0.493 364 E N 1.646 121.826 120.200 -0.034 0.000 2.241 364 E HA 0.102 4.452 4.350 0.001 0.000 0.263 364 E C -1.267 175.331 176.600 -0.002 0.000 0.882 364 E CA -0.428 55.964 56.400 -0.013 0.000 0.769 364 E CB 1.642 31.379 29.700 0.061 0.000 1.185 364 E HN 0.480 nan 8.360 nan 0.000 0.415 365 E N 2.761 122.954 120.200 -0.010 0.000 2.316 365 E HA 0.255 4.605 4.350 0.001 0.000 0.275 365 E C -0.601 175.995 176.600 -0.008 0.000 1.029 365 E CA -0.426 55.963 56.400 -0.018 0.000 0.871 365 E CB 1.212 30.899 29.700 -0.022 0.000 1.022 365 E HN 0.370 nan 8.360 nan 0.000 0.418 366 V N 0.930 120.834 119.914 -0.017 0.000 2.962 366 V HA 0.336 4.456 4.120 0.001 0.000 0.313 366 V C 0.477 176.555 176.094 -0.027 0.000 1.099 366 V CA -0.622 61.672 62.300 -0.011 0.000 0.971 366 V CB 1.936 33.758 31.823 -0.001 0.000 1.028 366 V HN 0.787 nan 8.190 nan 0.000 0.430 367 E N 1.754 121.939 120.200 -0.024 0.000 2.216 367 E HA 0.073 4.424 4.350 0.001 0.000 0.192 367 E C 0.367 176.940 176.600 -0.045 0.000 0.988 367 E CA 1.227 57.607 56.400 -0.033 0.000 0.834 367 E CB 0.346 30.030 29.700 -0.027 0.000 0.772 367 E HN 0.933 nan 8.360 nan 0.000 0.479 368 E N -0.186 119.985 120.200 -0.049 0.000 2.401 368 E HA 0.348 4.699 4.350 0.001 0.000 0.280 368 E C -1.562 174.993 176.600 -0.075 0.000 1.039 368 E CA -0.760 55.599 56.400 -0.067 0.000 0.814 368 E CB 1.101 30.751 29.700 -0.084 0.000 1.275 368 E HN -0.164 nan 8.360 nan 0.000 0.448 369 L N 2.127 123.299 121.223 -0.086 0.000 2.342 369 L HA 0.463 4.804 4.340 0.001 0.000 0.276 369 L C -0.121 176.671 176.870 -0.131 0.000 0.997 369 L CA -0.539 54.250 54.840 -0.086 0.000 0.838 369 L CB 1.166 43.192 42.059 -0.055 0.000 1.224 369 L HN 0.573 nan 8.230 nan 0.000 0.416 370 K N 1.394 121.652 120.400 -0.236 0.000 2.209 370 K HA 0.745 5.066 4.320 0.001 0.000 0.238 370 K C 0.047 176.573 176.600 -0.123 0.000 1.028 370 K CA -0.837 55.255 56.287 -0.325 0.000 0.935 370 K CB 0.783 32.740 32.500 -0.905 0.000 1.162 370 K HN 0.634 nan 8.250 nan 0.000 0.485 371 A N 0.136 122.929 122.820 -0.045 0.000 2.540 371 A HA 0.340 4.660 4.320 0.001 0.000 0.239 371 A C 1.123 178.787 177.584 0.134 0.000 1.061 371 A CA 1.026 53.099 52.037 0.060 0.000 0.758 371 A CB -0.958 18.101 19.000 0.099 0.000 0.991 371 A HN 0.880 nan 8.150 nan 0.000 0.502 372 G N 1.255 110.076 108.800 0.036 0.000 2.217 372 G HA2 -0.198 3.763 3.960 0.001 0.000 0.246 372 G HA3 -0.198 3.763 3.960 0.001 0.000 0.246 372 G C 0.136 175.027 174.900 -0.015 0.000 0.990 372 G CA 0.512 45.620 45.100 0.013 0.000 0.627 372 G HN 0.899 nan 8.290 nan 0.000 0.522 373 D N -0.382 120.020 120.400 0.004 0.000 2.442 373 D HA 0.809 5.449 4.640 0.001 0.000 0.254 373 D C -0.060 176.219 176.300 -0.037 0.000 1.069 373 D CA -0.154 53.850 54.000 0.007 0.000 1.017 373 D CB 1.613 42.451 40.800 0.063 0.000 1.172 373 D HN 0.166 nan 8.370 nan 0.000 0.561 374 L N -0.291 120.928 121.223 -0.007 0.000 2.434 374 L HA 0.758 5.099 4.340 0.001 0.000 0.260 374 L C 0.488 177.388 176.870 0.050 0.000 0.983 374 L CA -0.417 54.449 54.840 0.043 0.000 0.820 374 L CB 2.424 44.529 42.059 0.076 0.000 1.361 374 L HN 0.565 nan 8.230 nan 0.000 0.410 375 G N 0.315 109.161 108.800 0.077 0.000 2.500 375 G HA2 0.755 4.716 3.960 0.001 0.000 0.299 375 G HA3 0.755 4.716 3.960 0.001 0.000 0.299 375 G C -2.193 172.626 174.900 -0.134 0.000 1.242 375 G CA 0.050 45.154 45.100 0.007 0.000 0.859 375 G HN 0.774 nan 8.290 nan 0.000 0.481 376 A N -0.842 121.784 122.820 -0.322 0.000 2.371 376 A HA 0.817 5.137 4.320 0.001 0.000 0.311 376 A C -0.628 176.747 177.584 -0.349 0.000 1.068 376 A CA -0.212 51.451 52.037 -0.623 0.000 0.744 376 A CB 1.720 20.145 19.000 -0.958 0.000 1.239 376 A HN 2.141 nan 8.150 nan 0.000 0.435 377 V N 2.874 122.604 119.914 -0.307 0.000 2.417 377 V HA 0.722 4.843 4.120 0.001 0.000 0.291 377 V C -0.473 175.512 176.094 -0.183 0.000 1.024 377 V CA -0.441 61.742 62.300 -0.194 0.000 0.861 377 V CB 1.141 32.883 31.823 -0.134 0.000 0.985 377 V HN 0.735 nan 8.190 nan 0.000 0.436 378 V N 6.872 126.700 119.914 -0.143 0.000 2.785 378 V HA 0.941 5.062 4.120 0.001 0.000 0.300 378 V C 1.230 177.269 176.094 -0.090 0.000 1.062 378 V CA 0.983 63.219 62.300 -0.108 0.000 1.029 378 V CB 0.440 32.212 31.823 -0.084 0.000 1.024 378 V HN 1.824 nan 8.190 nan 0.000 0.477 379 G N 2.442 111.199 108.800 -0.072 0.000 2.445 379 G HA2 0.122 4.083 3.960 0.001 0.000 0.212 379 G HA3 0.122 4.083 3.960 0.001 0.000 0.212 379 G C -0.658 174.208 174.900 -0.056 0.000 1.217 379 G CA -0.642 44.420 45.100 -0.063 0.000 1.002 379 G HN 1.436 nan 8.290 nan 0.000 0.574 380 L N -0.715 120.480 121.223 -0.047 0.000 3.339 380 L HA -0.153 4.188 4.340 0.001 0.000 0.610 380 L C 1.508 178.356 176.870 -0.035 0.000 1.015 380 L CA 1.869 56.685 54.840 -0.039 0.000 1.223 380 L CB -1.016 41.011 42.059 -0.052 0.000 1.327 380 L HN 0.873 nan 8.230 nan 0.000 0.716 381 K N 0.910 121.296 120.400 -0.024 0.000 2.244 381 K HA 0.140 4.460 4.320 0.001 0.000 0.200 381 K C 1.136 177.721 176.600 -0.024 0.000 1.052 381 K CA 0.731 57.005 56.287 -0.021 0.000 0.980 381 K CB 0.293 32.786 32.500 -0.012 0.000 0.838 381 K HN 0.440 nan 8.250 nan 0.000 0.481 382 E N 0.730 120.914 120.200 -0.026 0.000 2.481 382 E HA 0.073 4.423 4.350 0.001 0.000 0.198 382 E C -0.333 176.241 176.600 -0.043 0.000 1.027 382 E CA 0.296 56.676 56.400 -0.033 0.000 0.900 382 E CB 0.885 30.566 29.700 -0.031 0.000 0.993 382 E HN 0.080 nan 8.360 nan 0.000 0.482 383 T N 2.608 117.136 114.554 -0.043 0.000 2.780 383 T HA 0.401 4.751 4.350 0.001 0.000 0.294 383 T C 0.747 175.422 174.700 -0.041 0.000 0.949 383 T CA -0.286 61.787 62.100 -0.046 0.000 1.074 383 T CB 0.660 69.502 68.868 -0.044 0.000 0.910 383 T HN 0.118 nan 8.240 nan 0.000 0.501 384 I N -0.170 120.376 120.570 -0.039 0.000 3.205 384 I HA 0.658 4.828 4.170 0.001 0.000 0.310 384 I C 0.519 176.619 176.117 -0.029 0.000 1.089 384 I CA -1.031 60.247 61.300 -0.037 0.000 1.023 384 I CB 1.333 39.307 38.000 -0.042 0.000 1.269 384 I HN 0.353 nan 8.210 nan 0.000 0.512 385 T N 1.010 115.546 114.554 -0.030 0.000 2.930 385 T HA 0.398 4.748 4.350 0.001 0.000 0.306 385 T C 0.986 175.687 174.700 0.002 0.000 1.045 385 T CA 1.097 63.186 62.100 -0.017 0.000 1.134 385 T CB 0.135 68.982 68.868 -0.035 0.000 0.961 385 T HN 1.399 nan 8.240 nan 0.000 0.545 386 G N 3.861 112.683 108.800 0.036 0.000 2.205 386 G HA2 -0.197 3.764 3.960 0.001 0.000 0.261 386 G HA3 -0.197 3.764 3.960 0.001 0.000 0.261 386 G C -0.062 174.857 174.900 0.031 0.000 0.980 386 G CA 0.172 45.296 45.100 0.040 0.000 0.632 386 G HN 0.757 nan 8.290 nan 0.000 0.533 387 D N 1.262 121.674 120.400 0.020 0.000 2.382 387 D HA 0.520 5.160 4.640 0.001 0.000 0.245 387 D C 0.664 176.978 176.300 0.023 0.000 1.120 387 D CA 0.583 54.586 54.000 0.004 0.000 0.890 387 D CB 0.976 41.765 40.800 -0.018 0.000 1.201 387 D HN 0.085 nan 8.370 nan 0.000 0.433 388 T N 2.418 116.980 114.554 0.013 0.000 2.845 388 T HA 0.406 4.756 4.350 0.001 0.000 0.288 388 T C -0.299 174.412 174.700 0.019 0.000 0.980 388 T CA -0.574 61.545 62.100 0.032 0.000 1.071 388 T CB 0.635 69.519 68.868 0.028 0.000 0.941 388 T HN 0.005 nan 8.240 nan 0.000 0.487 389 L N 4.346 125.597 121.223 0.047 0.000 2.356 389 L HA 0.663 5.003 4.340 0.001 0.000 0.277 389 L C 0.053 176.971 176.870 0.079 0.000 0.996 389 L CA -0.693 54.173 54.840 0.044 0.000 0.822 389 L CB 1.345 43.427 42.059 0.039 0.000 1.256 389 L HN 0.565 nan 8.230 nan 0.000 0.413 390 V N 0.081 120.062 119.914 0.111 0.000 3.181 390 V HA 1.022 5.142 4.120 0.001 0.000 0.314 390 V C 0.445 176.615 176.094 0.126 0.000 1.173 390 V CA -0.657 61.714 62.300 0.118 0.000 1.052 390 V CB 1.291 33.191 31.823 0.128 0.000 1.123 390 V HN 0.731 nan 8.190 nan 0.000 0.454 391 G N -0.422 108.433 108.800 0.093 0.000 2.667 391 G HA2 0.301 4.262 3.960 0.001 0.000 0.250 391 G HA3 0.301 4.262 3.960 0.001 0.000 0.250 391 G C 0.306 175.257 174.900 0.086 0.000 1.212 391 G CA 0.247 45.395 45.100 0.080 0.000 0.874 391 G HN 0.976 nan 8.290 nan 0.000 0.561 392 E N -0.568 119.675 120.200 0.072 0.000 2.077 392 E HA -0.096 4.254 4.350 0.001 0.000 0.193 392 E C 0.518 177.096 176.600 -0.036 0.000 0.989 392 E CA 1.156 57.578 56.400 0.037 0.000 0.800 392 E CB 0.189 29.912 29.700 0.038 0.000 0.746 392 E HN 0.460 nan 8.360 nan 0.000 0.452 393 D N -0.631 119.758 120.400 -0.019 0.000 2.670 393 D HA 0.213 4.854 4.640 0.001 0.000 0.255 393 D C -0.613 175.673 176.300 -0.022 0.000 1.286 393 D CA -0.004 53.974 54.000 -0.038 0.000 0.830 393 D CB 0.911 41.695 40.800 -0.027 0.000 1.065 393 D HN 0.017 nan 8.370 nan 0.000 0.486 394 A N 1.438 124.253 122.820 -0.008 0.000 2.282 394 A HA 0.604 4.924 4.320 0.001 0.000 0.319 394 A C -2.377 175.209 177.584 0.003 0.000 1.121 394 A CA -1.361 50.681 52.037 0.009 0.000 0.836 394 A CB 0.434 19.453 19.000 0.033 0.000 1.146 394 A HN -0.151 nan 8.150 nan 0.000 0.494 395 P HA 0.094 nan 4.420 nan 0.000 0.261 395 P C -0.680 176.635 177.300 0.025 0.000 1.165 395 P CA 0.459 63.564 63.100 0.008 0.000 0.759 395 P CB 0.225 31.930 31.700 0.008 0.000 0.772 396 R N 2.336 122.851 120.500 0.025 0.000 2.210 396 R HA 0.373 4.713 4.340 0.001 0.000 0.338 396 R C -0.118 176.210 176.300 0.046 0.000 1.062 396 R CA -0.438 55.700 56.100 0.063 0.000 0.902 396 R CB -0.018 30.329 30.300 0.078 0.000 1.050 396 R HN 0.325 nan 8.270 nan 0.000 0.461 397 V N 0.734 120.676 119.914 0.047 0.000 2.960 397 V HA 0.704 4.824 4.120 0.001 0.000 0.315 397 V C -0.241 175.866 176.094 0.021 0.000 1.087 397 V CA -1.043 61.269 62.300 0.019 0.000 0.982 397 V CB 2.231 34.053 31.823 -0.001 0.000 1.039 397 V HN 0.572 nan 8.190 nan 0.000 0.437 398 I N 3.426 123.996 120.570 0.001 0.000 2.410 398 I HA 0.362 4.533 4.170 0.001 0.000 0.286 398 I C 0.330 176.429 176.117 -0.029 0.000 1.009 398 I CA -0.545 60.752 61.300 -0.004 0.000 1.111 398 I CB 1.751 39.751 38.000 -0.000 0.000 1.262 398 I HN 0.505 nan 8.210 nan 0.000 0.443 399 L N 3.941 125.141 121.223 -0.038 0.000 2.034 399 L HA 0.131 4.472 4.340 0.001 0.000 0.203 399 L C 1.166 177.999 176.870 -0.061 0.000 1.074 399 L CA 1.401 56.192 54.840 -0.082 0.000 0.748 399 L CB -0.669 41.325 42.059 -0.107 0.000 0.905 399 L HN 0.585 nan 8.230 nan 0.000 0.439 400 E N -0.012 120.170 120.200 -0.030 0.000 2.289 400 E HA 0.096 4.447 4.350 0.001 0.000 0.278 400 E C -0.003 176.587 176.600 -0.016 0.000 1.032 400 E CA -0.176 56.213 56.400 -0.019 0.000 0.854 400 E CB 0.845 30.545 29.700 0.001 0.000 1.046 400 E HN 0.135 nan 8.360 nan 0.000 0.409 401 S N 4.843 120.532 115.700 -0.019 0.000 2.549 401 S HA 0.068 4.538 4.470 0.001 0.000 0.286 401 S C 0.354 174.949 174.600 -0.008 0.000 1.314 401 S CA -0.878 57.311 58.200 -0.018 0.000 1.062 401 S CB 0.187 63.370 63.200 -0.028 0.000 0.865 401 S HN 0.393 nan 8.310 nan 0.000 0.498 402 I N 3.966 124.535 120.570 -0.002 0.000 2.529 402 I HA 0.338 4.509 4.170 0.001 0.000 0.284 402 I C 0.318 176.444 176.117 0.015 0.000 1.082 402 I CA 0.067 61.371 61.300 0.007 0.000 1.406 402 I CB -0.043 37.962 38.000 0.009 0.000 1.405 402 I HN 0.856 nan 8.210 nan 0.000 0.548 403 E N 4.402 124.617 120.200 0.026 0.000 2.406 403 E HA 0.373 4.723 4.350 0.001 0.000 0.297 403 E C -1.748 174.886 176.600 0.057 0.000 0.917 403 E CA -0.787 55.642 56.400 0.048 0.000 0.795 403 E CB 0.937 30.669 29.700 0.052 0.000 1.285 403 E HN 0.131 nan 8.360 nan 0.000 0.400 404 V N 4.597 124.551 119.914 0.067 0.000 2.397 404 V HA 0.293 4.414 4.120 0.001 0.000 0.262 404 V C -1.703 174.437 176.094 0.077 0.000 1.047 404 V CA -0.870 61.464 62.300 0.057 0.000 1.003 404 V CB 0.023 31.878 31.823 0.053 0.000 1.037 404 V HN 0.681 nan 8.190 nan 0.000 0.480 405 P HA 0.360 nan 4.420 nan 0.000 0.292 405 P C -0.488 176.789 177.300 -0.038 0.000 1.287 405 P CA -0.533 62.602 63.100 0.059 0.000 0.800 405 P CB 1.232 32.963 31.700 0.052 0.000 0.945 406 E N 4.213 124.307 120.200 -0.177 0.000 2.283 406 E HA 0.218 4.569 4.350 0.001 0.000 0.278 406 E C -2.020 174.444 176.600 -0.226 0.000 1.027 406 E CA -2.129 54.046 56.400 -0.376 0.000 0.843 406 E CB 0.654 29.685 29.700 -1.115 0.000 1.062 406 E HN 0.359 nan 8.360 nan 0.000 0.401 407 P HA 0.005 nan 4.420 nan 0.000 0.268 407 P C 0.723 177.992 177.300 -0.052 0.000 1.485 407 P CA 0.105 63.187 63.100 -0.030 0.000 1.102 407 P CB 0.065 31.779 31.700 0.023 0.000 1.501 408 V N 1.226 121.095 119.914 -0.076 0.000 3.621 408 V HA 0.311 4.431 4.120 0.001 0.000 0.285 408 V C 0.598 176.665 176.094 -0.045 0.000 1.346 408 V CA 0.392 62.640 62.300 -0.087 0.000 1.104 408 V CB -0.188 31.547 31.823 -0.147 0.000 0.913 408 V HN 0.197 nan 8.190 nan 0.000 0.432 409 I N 2.041 122.614 120.570 0.005 0.000 2.512 409 I HA 0.581 4.752 4.170 0.001 0.000 0.287 409 I C -1.405 174.749 176.117 0.062 0.000 1.069 409 I CA -0.184 61.138 61.300 0.038 0.000 1.056 409 I CB 1.984 40.004 38.000 0.033 0.000 1.229 409 I HN 0.241 nan 8.210 nan 0.000 0.429 410 D N 5.973 126.423 120.400 0.083 0.000 2.252 410 D HA 0.578 5.218 4.640 0.001 0.000 0.245 410 D C -0.548 175.788 176.300 0.061 0.000 1.009 410 D CA -0.407 53.635 54.000 0.069 0.000 0.870 410 D CB 3.434 44.285 40.800 0.086 0.000 1.251 410 D HN 0.047 nan 8.370 nan 0.000 0.460 411 V N 1.042 120.969 119.914 0.022 0.000 2.525 411 V HA 0.494 4.614 4.120 0.001 0.000 0.299 411 V C 0.072 176.164 176.094 -0.003 0.000 1.034 411 V CA -0.870 61.436 62.300 0.009 0.000 0.863 411 V CB 1.593 33.404 31.823 -0.020 0.000 0.999 411 V HN 0.756 nan 8.190 nan 0.000 0.423 412 A N 5.458 128.286 122.820 0.013 0.000 2.371 412 A HA 0.818 5.138 4.320 0.001 0.000 0.257 412 A C -0.506 177.068 177.584 -0.015 0.000 1.089 412 A CA -0.070 51.972 52.037 0.008 0.000 0.794 412 A CB 0.396 19.411 19.000 0.026 0.000 1.029 412 A HN 1.038 nan 8.150 nan 0.000 0.488 413 I N 0.674 121.229 120.570 -0.024 0.000 2.627 413 I HA 0.461 4.632 4.170 0.001 0.000 0.288 413 I C -1.371 174.727 176.117 -0.032 0.000 1.202 413 I CA -0.174 61.105 61.300 -0.036 0.000 1.050 413 I CB 1.811 39.776 38.000 -0.058 0.000 1.264 413 I HN 0.697 nan 8.210 nan 0.000 0.429 414 E N 9.017 129.201 120.200 -0.027 0.000 2.235 414 E HA 0.406 4.757 4.350 0.001 0.000 0.252 414 E C -2.568 174.019 176.600 -0.021 0.000 0.886 414 E CA -1.816 54.569 56.400 -0.023 0.000 0.767 414 E CB 1.531 31.219 29.700 -0.021 0.000 1.205 414 E HN 0.317 nan 8.360 nan 0.000 0.421 415 P HA 0.012 nan 4.420 nan 0.000 0.267 415 P C -0.001 177.292 177.300 -0.012 0.000 1.205 415 P CA -0.087 63.003 63.100 -0.016 0.000 0.765 415 P CB 1.133 32.824 31.700 -0.016 0.000 0.828 416 K N 0.789 121.183 120.400 -0.009 0.000 2.211 416 K HA -0.070 4.251 4.320 0.001 0.000 0.204 416 K C 1.257 177.853 176.600 -0.007 0.000 1.047 416 K CA 1.509 57.791 56.287 -0.008 0.000 0.935 416 K CB -0.173 32.324 32.500 -0.006 0.000 0.728 416 K HN 0.686 nan 8.250 nan 0.000 0.452 417 T N -3.813 110.737 114.554 -0.005 0.000 2.742 417 T HA 0.300 4.651 4.350 0.001 0.000 0.282 417 T C 0.513 175.211 174.700 -0.005 0.000 1.025 417 T CA -1.033 61.064 62.100 -0.005 0.000 1.020 417 T CB 1.443 70.310 68.868 -0.002 0.000 1.317 417 T HN -0.209 nan 8.240 nan 0.000 0.538 418 K N -0.046 120.352 120.400 -0.004 0.000 2.217 418 K HA 0.108 4.428 4.320 0.001 0.000 0.202 418 K C 2.398 178.998 176.600 -0.000 0.000 1.051 418 K CA 1.005 57.290 56.287 -0.003 0.000 0.952 418 K CB -0.415 32.083 32.500 -0.003 0.000 0.736 418 K HN 0.640 nan 8.250 nan 0.000 0.453 419 A N 1.540 124.360 122.820 0.002 0.000 2.015 419 A HA -0.162 4.158 4.320 0.001 0.000 0.219 419 A C 1.276 178.865 177.584 0.008 0.000 1.163 419 A CA 1.641 53.681 52.037 0.005 0.000 0.646 419 A CB -0.251 18.753 19.000 0.006 0.000 0.806 419 A HN 0.206 nan 8.150 nan 0.000 0.448 420 D N -1.503 118.900 120.400 0.005 0.000 2.323 420 D HA -0.054 4.586 4.640 0.001 0.000 0.209 420 D C 2.081 178.380 176.300 -0.001 0.000 0.973 420 D CA 0.309 54.312 54.000 0.005 0.000 0.874 420 D CB 0.112 40.913 40.800 0.001 0.000 0.930 420 D HN 0.206 nan 8.370 nan 0.000 0.521 421 Q N 0.608 120.406 119.800 -0.004 0.000 2.079 421 Q HA -0.121 4.219 4.340 0.001 0.000 0.200 421 Q C 1.558 177.553 176.000 -0.008 0.000 0.974 421 Q CA 1.316 57.113 55.803 -0.010 0.000 0.840 421 Q CB 0.088 28.820 28.738 -0.009 0.000 0.898 421 Q HN 0.447 nan 8.270 nan 0.000 0.430 422 E N 0.192 120.392 120.200 0.000 0.000 2.216 422 E HA -0.112 4.238 4.350 0.001 0.000 0.192 422 E C 1.661 178.269 176.600 0.014 0.000 0.988 422 E CA 0.868 57.272 56.400 0.005 0.000 0.834 422 E CB 0.030 29.735 29.700 0.009 0.000 0.772 422 E HN 0.338 nan 8.360 nan 0.000 0.479 423 K N 0.591 121.005 120.400 0.022 0.000 2.400 423 K HA 0.046 4.367 4.320 0.001 0.000 0.194 423 K C 1.855 178.470 176.600 0.025 0.000 1.033 423 K CA 0.288 56.605 56.287 0.050 0.000 1.021 423 K CB 0.243 32.785 32.500 0.071 0.000 0.808 423 K HN 0.070 nan 8.250 nan 0.000 0.505 424 L N 1.351 122.565 121.223 -0.016 0.000 2.209 424 L HA 0.067 4.407 4.340 0.001 0.000 0.207 424 L C 1.881 178.697 176.870 -0.090 0.000 1.094 424 L CA 1.050 55.849 54.840 -0.068 0.000 0.790 424 L CB -0.009 42.015 42.059 -0.059 0.000 0.932 424 L HN 0.066 nan 8.230 nan 0.000 0.447 425 S N -0.643 115.028 115.700 -0.049 0.000 2.423 425 S HA -0.180 4.290 4.470 0.001 0.000 0.231 425 S C 1.846 176.422 174.600 -0.039 0.000 1.014 425 S CA 1.108 59.285 58.200 -0.039 0.000 0.965 425 S CB -0.134 63.057 63.200 -0.016 0.000 0.785 425 S HN 0.445 nan 8.310 nan 0.000 0.495 426 Q N 0.936 120.719 119.800 -0.028 0.000 2.212 426 Q HA 0.297 4.637 4.340 0.001 0.000 0.199 426 Q C 2.228 178.156 176.000 -0.120 0.000 0.950 426 Q CA 1.043 56.845 55.803 -0.001 0.000 0.863 426 Q CB -0.491 28.296 28.738 0.082 0.000 0.944 426 Q HN 0.527 nan 8.270 nan 0.000 0.465 427 A N -0.290 122.350 122.820 -0.300 0.000 2.019 427 A HA -0.102 4.218 4.320 0.001 0.000 0.219 427 A C 1.726 178.941 177.584 -0.615 0.000 1.164 427 A CA 1.139 52.638 52.037 -0.896 0.000 0.644 427 A CB -0.324 18.261 19.000 -0.692 0.000 0.805 427 A HN 0.359 nan 8.150 nan 0.000 0.449 428 L N -1.963 119.091 121.223 -0.281 0.000 2.316 428 L HA 0.167 4.507 4.340 0.001 0.000 0.207 428 L C 2.823 179.732 176.870 0.064 0.000 1.070 428 L CA 0.717 55.486 54.840 -0.118 0.000 0.820 428 L CB -0.329 41.665 42.059 -0.109 0.000 0.992 428 L HN 0.282 nan 8.230 nan 0.000 0.466 429 A N 0.105 122.932 122.820 0.012 0.000 2.015 429 A HA -0.160 4.160 4.320 0.001 0.000 0.219 429 A C 2.334 179.943 177.584 0.043 0.000 1.163 429 A CA 1.423 53.484 52.037 0.040 0.000 0.646 429 A CB -0.310 18.703 19.000 0.022 0.000 0.806 429 A HN 0.223 nan 8.150 nan 0.000 0.448 430 R N -1.419 119.097 120.500 0.027 0.000 2.173 430 R HA 0.172 4.512 4.340 0.001 0.000 0.208 430 R C 1.418 177.773 176.300 0.092 0.000 1.035 430 R CA 0.587 56.731 56.100 0.074 0.000 1.004 430 R CB -0.292 30.100 30.300 0.153 0.000 0.917 430 R HN 0.380 nan 8.270 nan 0.000 0.462 431 L N -0.260 121.000 121.223 0.062 0.000 2.592 431 L HA 0.392 4.733 4.340 0.001 0.000 0.227 431 L C 1.155 178.195 176.870 0.282 0.000 1.127 431 L CA 0.652 55.584 54.840 0.153 0.000 0.884 431 L CB 0.141 42.238 42.059 0.063 0.000 1.065 431 L HN 0.160 nan 8.230 nan 0.000 0.457 432 A N -1.338 121.601 122.820 0.199 0.000 2.218 432 A HA 0.044 4.365 4.320 0.001 0.000 0.209 432 A C 1.893 179.395 177.584 -0.135 0.000 1.168 432 A CA 0.534 52.506 52.037 -0.107 0.000 0.804 432 A CB -0.142 18.825 19.000 -0.055 0.000 0.834 432 A HN 0.541 nan 8.150 nan 0.000 0.482 433 E N -0.397 119.787 120.200 -0.027 0.000 2.127 433 E HA -0.095 4.255 4.350 0.001 0.000 0.191 433 E C 1.790 178.378 176.600 -0.020 0.000 0.964 433 E CA 0.819 57.203 56.400 -0.026 0.000 0.832 433 E CB -0.165 29.538 29.700 0.005 0.000 0.790 433 E HN 0.752 nan 8.360 nan 0.000 0.465 434 E N 1.146 121.355 120.200 0.015 0.000 2.072 434 E HA -0.146 4.205 4.350 0.001 0.000 0.191 434 E C 0.376 176.979 176.600 0.006 0.000 0.985 434 E CA 0.876 57.290 56.400 0.024 0.000 0.801 434 E CB 0.331 30.070 29.700 0.065 0.000 0.750 434 E HN -0.065 nan 8.360 nan 0.000 0.452 435 D N -0.166 120.235 120.400 0.002 0.000 2.438 435 D HA 0.120 4.761 4.640 0.001 0.000 0.257 435 D C -2.255 173.886 176.300 -0.266 0.000 1.148 435 D CA -2.078 51.906 54.000 -0.028 0.000 0.902 435 D CB 1.540 42.439 40.800 0.164 0.000 1.062 435 D HN 0.065 nan 8.370 nan 0.000 0.518 436 P HA 0.128 nan 4.420 nan 0.000 0.253 436 P C 0.488 177.628 177.300 -0.267 0.000 1.508 436 P CA 0.028 62.954 63.100 -0.290 0.000 0.883 436 P CB 0.101 31.706 31.700 -0.159 0.000 1.519 437 T N -2.558 111.851 114.554 -0.242 0.000 2.985 437 T HA 0.186 4.536 4.350 0.001 0.000 0.254 437 T C 0.623 175.354 174.700 0.053 0.000 1.021 437 T CA -0.163 61.890 62.100 -0.079 0.000 0.957 437 T CB -0.408 68.434 68.868 -0.044 0.000 1.047 437 T HN 0.132 nan 8.240 nan 0.000 0.511 438 F N 1.231 121.284 119.950 0.172 0.000 2.375 438 F HA 0.867 5.395 4.527 0.001 0.000 0.317 438 F C 0.030 175.863 175.800 0.056 0.000 1.124 438 F CA -1.721 56.366 58.000 0.146 0.000 1.050 438 F CB 0.673 39.744 39.000 0.118 0.000 1.314 438 F HN -0.303 nan 8.300 nan 0.000 0.511 439 R N 1.209 121.954 120.500 0.409 0.000 2.514 439 R HA 0.572 4.912 4.340 0.001 0.000 0.296 439 R C -1.978 174.451 176.300 0.214 0.000 1.012 439 R CA -0.621 55.618 56.100 0.232 0.000 0.897 439 R CB 1.652 32.016 30.300 0.106 0.000 1.184 439 R HN 0.712 nan 8.270 nan 0.000 0.440 440 V N 3.402 123.431 119.914 0.192 0.000 2.644 440 V HA 0.740 4.861 4.120 0.001 0.000 0.295 440 V C 0.270 176.388 176.094 0.040 0.000 1.053 440 V CA -0.037 62.319 62.300 0.093 0.000 0.987 440 V CB 1.364 33.243 31.823 0.093 0.000 1.006 440 V HN 1.032 nan 8.190 nan 0.000 0.472 441 S N 2.316 118.020 115.700 0.006 0.000 2.873 441 S HA 0.680 5.150 4.470 0.001 0.000 0.303 441 S C -0.779 173.809 174.600 -0.020 0.000 1.222 441 S CA -0.613 57.578 58.200 -0.014 0.000 0.923 441 S CB 2.178 65.358 63.200 -0.032 0.000 1.286 441 S HN 0.632 nan 8.310 nan 0.000 0.571 442 T N 1.623 116.159 114.554 -0.029 0.000 3.109 442 T HA 0.402 4.752 4.350 0.001 0.000 0.311 442 T C -1.549 173.149 174.700 -0.003 0.000 1.011 442 T CA -0.453 61.642 62.100 -0.009 0.000 1.026 442 T CB 0.884 69.747 68.868 -0.008 0.000 1.047 442 T HN 0.682 nan 8.240 nan 0.000 0.448 443 H N 5.937 124.967 119.070 -0.067 0.000 3.046 443 H HA 0.109 4.665 4.556 0.001 0.000 0.303 443 H C -1.511 173.767 175.328 -0.083 0.000 1.002 443 H CA -1.471 54.522 56.048 -0.091 0.000 1.460 443 H CB 1.347 31.051 29.762 -0.096 0.000 1.493 443 H HN 0.300 nan 8.280 nan 0.000 0.559 444 P HA -0.156 nan 4.420 nan 0.000 0.215 444 P C 0.795 178.154 177.300 0.099 0.000 1.157 444 P CA 1.220 64.375 63.100 0.091 0.000 0.874 444 P CB 0.566 32.275 31.700 0.015 0.000 0.790 445 E N -1.198 119.093 120.200 0.151 0.000 2.474 445 E HA 0.045 4.396 4.350 0.001 0.000 0.195 445 E C 1.319 177.834 176.600 -0.143 0.000 1.039 445 E CA 0.652 57.038 56.400 -0.025 0.000 0.881 445 E CB 0.178 29.859 29.700 -0.032 0.000 0.970 445 E HN 0.422 nan 8.360 nan 0.000 0.486 446 T N -3.205 111.233 114.554 -0.194 0.000 3.478 446 T HA 0.396 4.746 4.350 0.001 0.000 0.223 446 T C 1.358 176.016 174.700 -0.070 0.000 0.958 446 T CA 0.380 62.374 62.100 -0.176 0.000 1.324 446 T CB 0.581 69.282 68.868 -0.278 0.000 1.262 446 T HN 0.065 nan 8.240 nan 0.000 0.379 447 G N 1.388 110.172 108.800 -0.026 0.000 2.207 447 G HA2 0.040 4.000 3.960 0.001 0.000 0.193 447 G HA3 0.040 4.000 3.960 0.001 0.000 0.193 447 G C -0.479 174.421 174.900 -0.000 0.000 1.050 447 G CA -0.572 44.525 45.100 -0.005 0.000 0.780 447 G HN 0.648 nan 8.290 nan 0.000 0.504 448 Q N 0.361 120.170 119.800 0.015 0.000 2.204 448 Q HA 0.712 5.052 4.340 0.001 0.000 0.254 448 Q C -0.080 175.926 176.000 0.010 0.000 0.981 448 Q CA -0.707 55.099 55.803 0.005 0.000 0.897 448 Q CB 1.044 29.782 28.738 -0.001 0.000 1.273 448 Q HN 0.108 nan 8.270 nan 0.000 0.464 449 T N 1.408 115.957 114.554 -0.009 0.000 2.814 449 T HA 0.363 4.713 4.350 0.001 0.000 0.297 449 T C -0.167 174.519 174.700 -0.023 0.000 0.956 449 T CA -0.258 61.829 62.100 -0.021 0.000 1.123 449 T CB 0.113 68.958 68.868 -0.039 0.000 0.902 449 T HN 0.312 nan 8.240 nan 0.000 0.528 450 I N 4.504 125.060 120.570 -0.024 0.000 2.466 450 I HA 0.323 4.494 4.170 0.001 0.000 0.279 450 I C -0.062 176.035 176.117 -0.033 0.000 1.033 450 I CA -0.710 60.577 61.300 -0.023 0.000 1.123 450 I CB 0.963 38.950 38.000 -0.021 0.000 1.237 450 I HN 0.587 nan 8.210 nan 0.000 0.460 451 I N 4.866 125.396 120.570 -0.066 0.000 2.496 451 I HA 0.110 4.280 4.170 0.001 0.000 0.285 451 I C 0.459 176.560 176.117 -0.027 0.000 1.080 451 I CA 0.698 61.941 61.300 -0.095 0.000 1.404 451 I CB 0.785 38.645 38.000 -0.233 0.000 1.403 451 I HN 0.488 nan 8.210 nan 0.000 0.539 452 S N 3.788 119.514 115.700 0.043 0.000 2.521 452 S HA 0.874 5.344 4.470 0.001 0.000 0.295 452 S C -0.022 174.673 174.600 0.157 0.000 1.098 452 S CA -0.727 57.520 58.200 0.079 0.000 0.999 452 S CB 1.933 65.176 63.200 0.072 0.000 1.034 452 S HN 0.869 nan 8.310 nan 0.000 0.483 453 G N 0.468 109.365 108.800 0.161 0.000 2.721 453 G HA2 0.504 4.464 3.960 0.001 0.000 0.296 453 G HA3 0.504 4.464 3.960 0.001 0.000 0.296 453 G C 0.041 175.048 174.900 0.178 0.000 1.383 453 G CA -0.822 44.459 45.100 0.302 0.000 0.788 453 G HN 0.581 nan 8.290 nan 0.000 0.500 454 M N -0.049 119.648 119.600 0.161 0.000 2.476 454 M HA 0.233 4.714 4.480 0.001 0.000 0.262 454 M C 1.127 177.429 176.300 0.003 0.000 1.079 454 M CA 1.737 57.051 55.300 0.023 0.000 1.104 454 M CB 0.097 32.675 32.600 -0.037 0.000 1.409 454 M HN 0.667 nan 8.290 nan 0.000 0.467 455 G N -1.407 107.413 108.800 0.033 0.000 2.550 455 G HA2 0.221 4.181 3.960 0.001 0.000 0.293 455 G HA3 0.221 4.181 3.960 0.001 0.000 0.293 455 G C -0.373 174.509 174.900 -0.031 0.000 1.402 455 G CA -0.636 44.439 45.100 -0.042 0.000 0.784 455 G HN 0.086 nan 8.290 nan 0.000 0.482 456 E N -0.887 119.281 120.200 -0.053 0.000 2.058 456 E HA -0.140 4.210 4.350 0.001 0.000 0.194 456 E C 2.308 178.854 176.600 -0.089 0.000 0.997 456 E CA 1.136 57.523 56.400 -0.022 0.000 0.801 456 E CB -0.013 29.700 29.700 0.023 0.000 0.746 456 E HN 0.238 nan 8.360 nan 0.000 0.450 457 L N -0.117 121.000 121.223 -0.177 0.000 2.418 457 L HA -0.080 4.260 4.340 0.001 0.000 0.218 457 L C 2.146 178.780 176.870 -0.395 0.000 1.125 457 L CA 0.976 55.639 54.840 -0.294 0.000 0.835 457 L CB -0.193 41.645 42.059 -0.367 0.000 0.953 457 L HN 0.141 nan 8.230 nan 0.000 0.454 458 H N -1.260 117.539 119.070 -0.452 0.000 2.363 458 H HA -0.083 4.474 4.556 0.001 0.000 0.301 458 H C 1.892 177.159 175.328 -0.102 0.000 1.074 458 H CA 1.733 57.603 56.048 -0.296 0.000 1.354 458 H CB 0.151 29.845 29.762 -0.113 0.000 1.397 458 H HN 0.148 nan 8.280 nan 0.000 0.516 459 L N 0.357 121.465 121.223 -0.192 0.000 2.341 459 L HA 0.040 4.380 4.340 0.001 0.000 0.214 459 L C 2.394 179.166 176.870 -0.163 0.000 1.115 459 L CA 1.233 55.945 54.840 -0.213 0.000 0.820 459 L CB -0.386 41.607 42.059 -0.110 0.000 0.944 459 L HN 0.380 nan 8.230 nan 0.000 0.452 460 E N 0.010 120.126 120.200 -0.140 0.000 2.152 460 E HA -0.195 4.155 4.350 0.001 0.000 0.192 460 E C 2.050 178.593 176.600 -0.095 0.000 0.983 460 E CA 1.293 57.630 56.400 -0.104 0.000 0.818 460 E CB 0.090 29.727 29.700 -0.104 0.000 0.758 460 E HN 0.620 nan 8.360 nan 0.000 0.467 461 I N -2.496 118.001 120.570 -0.122 0.000 3.645 461 I HA 0.096 4.266 4.170 0.001 0.000 0.300 461 I C 1.762 177.866 176.117 -0.021 0.000 1.260 461 I CA 0.370 61.647 61.300 -0.038 0.000 1.365 461 I CB 0.091 38.075 38.000 -0.027 0.000 1.077 461 I HN -0.022 nan 8.210 nan 0.000 0.439 462 I N 0.543 121.046 120.570 -0.112 0.000 2.315 462 I HA -0.172 3.998 4.170 0.001 0.000 0.248 462 I C 2.432 178.473 176.117 -0.127 0.000 1.117 462 I CA 0.994 62.202 61.300 -0.154 0.000 1.404 462 I CB -0.110 37.696 38.000 -0.324 0.000 1.071 462 I HN 0.133 nan 8.210 nan 0.000 0.419 463 V N 0.476 120.323 119.914 -0.113 0.000 2.427 463 V HA -0.303 3.818 4.120 0.001 0.000 0.248 463 V C 1.992 178.067 176.094 -0.032 0.000 1.051 463 V CA 2.214 64.465 62.300 -0.081 0.000 1.048 463 V CB -0.527 31.253 31.823 -0.071 0.000 0.666 463 V HN 0.439 nan 8.190 nan 0.000 0.456 464 D N -0.424 119.970 120.400 -0.009 0.000 2.183 464 D HA -0.115 4.526 4.640 0.001 0.000 0.203 464 D C 2.386 178.717 176.300 0.051 0.000 0.969 464 D CA 0.747 54.762 54.000 0.025 0.000 0.842 464 D CB 0.045 40.871 40.800 0.044 0.000 0.957 464 D HN 0.200 nan 8.370 nan 0.000 0.484 465 R N -0.262 120.275 120.500 0.061 0.000 2.189 465 R HA -0.037 4.304 4.340 0.001 0.000 0.218 465 R C 1.807 178.207 176.300 0.166 0.000 1.074 465 R CA 0.310 56.482 56.100 0.121 0.000 0.991 465 R CB -0.243 30.136 30.300 0.131 0.000 0.883 465 R HN 0.279 nan 8.270 nan 0.000 0.457 466 L N 1.137 122.396 121.223 0.059 0.000 2.034 466 L HA -0.049 4.291 4.340 0.001 0.000 0.203 466 L C 2.150 179.071 176.870 0.085 0.000 1.074 466 L CA 1.787 56.647 54.840 0.032 0.000 0.748 466 L CB -0.378 41.637 42.059 -0.074 0.000 0.905 466 L HN -0.054 nan 8.230 nan 0.000 0.439 467 K N -1.459 118.967 120.400 0.044 0.000 2.217 467 K HA -0.062 4.259 4.320 0.001 0.000 0.202 467 K C 2.130 178.760 176.600 0.050 0.000 1.051 467 K CA 0.747 57.057 56.287 0.038 0.000 0.952 467 K CB 0.196 32.705 32.500 0.016 0.000 0.736 467 K HN 0.168 nan 8.250 nan 0.000 0.453 468 R N 0.052 120.589 120.500 0.062 0.000 2.064 468 R HA 0.032 4.373 4.340 0.001 0.000 0.210 468 R C 1.885 178.209 176.300 0.041 0.000 1.221 468 R CA 0.725 56.851 56.100 0.044 0.000 1.055 468 R CB -0.018 30.304 30.300 0.037 0.000 0.946 468 R HN -0.010 nan 8.270 nan 0.000 0.459 469 E N -0.175 120.066 120.200 0.069 0.000 2.152 469 E HA -0.056 4.295 4.350 0.001 0.000 0.192 469 E C 0.961 177.481 176.600 -0.134 0.000 0.983 469 E CA 1.126 57.521 56.400 -0.009 0.000 0.818 469 E CB 0.135 29.863 29.700 0.045 0.000 0.758 469 E HN 0.174 nan 8.360 nan 0.000 0.467 470 F N -0.099 119.845 119.950 -0.009 0.000 2.678 470 F HA 0.277 4.804 4.527 0.001 0.000 0.305 470 F C 0.266 176.059 175.800 -0.012 0.000 1.090 470 F CA -0.279 57.715 58.000 -0.010 0.000 1.272 470 F CB 0.482 39.474 39.000 -0.012 0.000 1.060 470 F HN -0.283 nan 8.300 nan 0.000 0.576 471 K N 1.607 122.075 120.400 0.114 0.000 3.419 471 K HA -0.165 4.155 4.320 0.001 0.000 0.272 471 K C -1.346 175.294 176.600 0.067 0.000 0.973 471 K CA 0.012 56.336 56.287 0.062 0.000 0.749 471 K CB -1.028 31.488 32.500 0.027 0.000 1.403 471 K HN 0.068 nan 8.250 nan 0.000 0.456 472 V N 2.764 122.719 119.914 0.069 0.000 2.276 472 V HA 0.167 4.288 4.120 0.001 0.000 0.268 472 V C -0.064 176.040 176.094 0.017 0.000 1.032 472 V CA -0.767 61.558 62.300 0.042 0.000 0.810 472 V CB 1.205 33.049 31.823 0.035 0.000 1.060 472 V HN 0.262 nan 8.190 nan 0.000 0.446 473 D N 4.348 124.755 120.400 0.012 0.000 2.312 473 D HA 0.641 5.281 4.640 0.001 0.000 0.252 473 D C 0.134 176.431 176.300 -0.004 0.000 1.150 473 D CA 0.465 54.467 54.000 0.003 0.000 0.870 473 D CB 2.321 43.123 40.800 0.004 0.000 1.153 473 D HN 0.672 nan 8.370 nan 0.000 0.457 474 A N 2.942 125.756 122.820 -0.010 0.000 2.589 474 A HA 0.275 4.596 4.320 0.001 0.000 0.296 474 A C -0.635 176.939 177.584 -0.017 0.000 1.062 474 A CA -0.945 51.083 52.037 -0.016 0.000 0.686 474 A CB 1.163 20.149 19.000 -0.023 0.000 1.282 474 A HN 0.402 nan 8.150 nan 0.000 0.404 475 N N 1.371 120.061 118.700 -0.017 0.000 2.406 475 N HA 0.246 4.987 4.740 0.001 0.000 0.269 475 N C -0.542 174.956 175.510 -0.019 0.000 1.210 475 N CA 0.336 53.376 53.050 -0.017 0.000 0.966 475 N CB 0.797 39.274 38.487 -0.016 0.000 1.293 475 N HN 0.385 nan 8.380 nan 0.000 0.491 476 V N 1.188 121.091 119.914 -0.019 0.000 2.407 476 V HA 0.447 4.567 4.120 0.001 0.000 0.278 476 V C 1.215 177.299 176.094 -0.016 0.000 1.037 476 V CA -0.894 61.393 62.300 -0.022 0.000 0.900 476 V CB 1.276 33.083 31.823 -0.027 0.000 0.983 476 V HN 0.541 nan 8.190 nan 0.000 0.459 477 G N 3.536 112.328 108.800 -0.012 0.000 2.528 477 G HA2 0.376 4.337 3.960 0.001 0.000 0.289 477 G HA3 0.376 4.337 3.960 0.001 0.000 0.289 477 G C -0.178 174.720 174.900 -0.003 0.000 1.192 477 G CA -0.742 44.355 45.100 -0.005 0.000 0.921 477 G HN 0.531 nan 8.290 nan 0.000 0.512 478 K N 0.798 121.195 120.400 -0.006 0.000 2.485 478 K HA 0.105 4.425 4.320 0.001 0.000 0.277 478 K C -2.206 174.396 176.600 0.002 0.000 0.990 478 K CA -0.984 55.291 56.287 -0.019 0.000 0.994 478 K CB 0.689 33.162 32.500 -0.045 0.000 0.906 478 K HN 0.185 nan 8.250 nan 0.000 0.488 479 P HA 0.113 nan 4.420 nan 0.000 0.268 479 P C -0.821 176.535 177.300 0.093 0.000 1.204 479 P CA -0.055 63.093 63.100 0.079 0.000 0.768 479 P CB 0.609 32.404 31.700 0.160 0.000 0.842 480 Q N 1.008 120.899 119.800 0.150 0.000 2.305 480 Q HA 0.439 4.780 4.340 0.001 0.000 0.271 480 Q C -1.084 175.007 176.000 0.152 0.000 1.046 480 Q CA -0.948 54.956 55.803 0.168 0.000 0.798 480 Q CB 2.059 30.919 28.738 0.203 0.000 1.286 480 Q HN 0.333 nan 8.270 nan 0.000 0.435 481 V N 1.131 121.078 119.914 0.055 0.000 2.811 481 V HA 0.714 4.835 4.120 0.001 0.000 0.302 481 V C -0.174 175.731 176.094 -0.315 0.000 1.063 481 V CA 0.053 62.227 62.300 -0.210 0.000 1.088 481 V CB 1.077 32.608 31.823 -0.485 0.000 0.982 481 V HN 0.868 nan 8.190 nan 0.000 0.485 482 A N 5.581 128.288 122.820 -0.188 0.000 3.004 482 A HA 0.489 4.810 4.320 0.001 0.000 0.286 482 A C -0.218 177.354 177.584 -0.020 0.000 1.632 482 A CA -0.408 51.643 52.037 0.023 0.000 1.339 482 A CB -1.115 17.950 19.000 0.108 0.000 1.136 482 A HN 0.872 nan 8.150 nan 0.000 0.577 483 Y N 1.123 121.298 120.300 -0.208 0.000 2.385 483 Y HA 0.374 4.924 4.550 0.001 0.000 0.346 483 Y C 1.251 177.153 175.900 0.003 0.000 1.270 483 Y CA 0.410 58.382 58.100 -0.212 0.000 1.472 483 Y CB 0.549 38.616 38.460 -0.654 0.000 1.354 483 Y HN 0.503 nan 8.280 nan 0.000 0.611 484 R N 0.606 121.228 120.500 0.204 0.000 2.855 484 R HA 0.474 4.814 4.340 0.001 0.000 0.266 484 R C -1.215 175.139 176.300 0.091 0.000 1.034 484 R CA -1.056 55.098 56.100 0.091 0.000 0.944 484 R CB 2.237 32.444 30.300 -0.155 0.000 1.219 484 R HN 0.715 nan 8.270 nan 0.000 0.474 485 E N 0.163 120.403 120.200 0.066 0.000 2.343 485 E HA 0.548 4.898 4.350 0.001 0.000 0.270 485 E C -0.853 175.770 176.600 0.040 0.000 0.895 485 E CA -0.688 55.747 56.400 0.059 0.000 0.767 485 E CB 2.954 32.699 29.700 0.074 0.000 1.248 485 E HN 0.426 nan 8.360 nan 0.000 0.440 486 T N 0.343 114.921 114.554 0.041 0.000 2.718 486 T HA 0.503 4.853 4.350 0.001 0.000 0.306 486 T C -1.403 173.321 174.700 0.041 0.000 1.485 486 T CA -0.659 61.466 62.100 0.041 0.000 0.997 486 T CB 0.964 69.854 68.868 0.038 0.000 1.504 486 T HN 0.514 nan 8.240 nan 0.000 0.497 487 I N -0.045 120.550 120.570 0.042 0.000 2.924 487 I HA 0.757 4.927 4.170 0.001 0.000 0.316 487 I C 0.928 177.065 176.117 0.032 0.000 1.014 487 I CA -0.655 60.667 61.300 0.037 0.000 1.106 487 I CB 2.079 40.103 38.000 0.039 0.000 1.311 487 I HN 0.750 nan 8.210 nan 0.000 0.502 488 T N -1.241 113.329 114.554 0.027 0.000 3.058 488 T HA 0.321 4.671 4.350 0.001 0.000 0.278 488 T C 0.123 174.833 174.700 0.017 0.000 0.974 488 T CA -0.311 61.802 62.100 0.022 0.000 0.893 488 T CB -0.197 68.684 68.868 0.021 0.000 1.138 488 T HN 0.841 nan 8.240 nan 0.000 0.529 489 K N 0.379 120.789 120.400 0.017 0.000 2.512 489 K HA 0.781 5.102 4.320 0.001 0.000 0.263 489 K C -3.547 173.060 176.600 0.012 0.000 0.966 489 K CA -2.330 53.964 56.287 0.012 0.000 0.851 489 K CB 1.161 33.667 32.500 0.010 0.000 1.395 489 K HN -0.242 nan 8.250 nan 0.000 0.440 490 P HA 0.069 nan 4.420 nan 0.000 0.271 490 P C -0.871 176.432 177.300 0.006 0.000 1.218 490 P CA -0.584 62.516 63.100 0.000 0.000 0.780 490 P CB 0.868 32.560 31.700 -0.014 0.000 0.901 491 V N -1.435 118.486 119.914 0.011 0.000 3.078 491 V HA 0.742 4.862 4.120 0.001 0.000 0.311 491 V C -1.234 174.876 176.094 0.026 0.000 1.138 491 V CA -0.857 61.455 62.300 0.020 0.000 1.007 491 V CB 2.629 34.471 31.823 0.031 0.000 1.045 491 V HN 0.343 nan 8.190 nan 0.000 0.432 492 D N 1.662 122.086 120.400 0.039 0.000 2.473 492 D HA 0.653 5.293 4.640 0.001 0.000 0.253 492 D C -0.685 175.673 176.300 0.098 0.000 1.233 492 D CA -0.026 54.016 54.000 0.071 0.000 0.908 492 D CB 1.639 42.465 40.800 0.043 0.000 1.170 492 D HN 1.146 nan 8.370 nan 0.000 0.558 493 V N 0.225 120.208 119.914 0.114 0.000 3.130 493 V HA 0.721 4.842 4.120 0.001 0.000 0.310 493 V C -0.425 175.703 176.094 0.057 0.000 1.158 493 V CA -0.847 61.500 62.300 0.078 0.000 1.029 493 V CB 2.187 34.044 31.823 0.058 0.000 1.057 493 V HN 0.344 nan 8.190 nan 0.000 0.436 494 E N 0.453 120.661 120.200 0.013 0.000 2.222 494 E HA 0.705 5.056 4.350 0.001 0.000 0.267 494 E C -0.504 176.072 176.600 -0.040 0.000 0.963 494 E CA -0.573 55.795 56.400 -0.053 0.000 0.837 494 E CB 2.216 31.876 29.700 -0.066 0.000 1.183 494 E HN 1.164 nan 8.360 nan 0.000 0.403 495 G N 1.765 110.518 108.800 -0.078 0.000 2.683 495 G HA2 0.417 4.377 3.960 0.001 0.000 0.299 495 G HA3 0.417 4.377 3.960 0.001 0.000 0.299 495 G C -0.836 174.018 174.900 -0.077 0.000 1.432 495 G CA -0.510 44.563 45.100 -0.044 0.000 0.978 495 G HN 0.195 nan 8.290 nan 0.000 0.513 496 K N 2.353 122.730 120.400 -0.038 0.000 2.559 496 K HA 0.233 4.554 4.320 0.001 0.000 0.249 496 K C -1.788 174.789 176.600 -0.039 0.000 0.958 496 K CA -0.699 55.552 56.287 -0.060 0.000 0.901 496 K CB 2.361 34.840 32.500 -0.034 0.000 1.124 496 K HN 0.408 nan 8.250 nan 0.000 0.437 497 F N 5.248 125.052 119.950 -0.243 0.000 2.332 497 F HA 0.450 4.978 4.527 0.001 0.000 0.368 497 F C -0.641 174.982 175.800 -0.296 0.000 1.110 497 F CA -0.804 57.064 58.000 -0.219 0.000 1.087 497 F CB 0.420 39.308 39.000 -0.186 0.000 1.235 497 F HN 0.342 nan 8.300 nan 0.000 0.470 498 I N 7.078 127.262 120.570 -0.643 0.000 2.503 498 I HA 0.451 4.622 4.170 0.001 0.000 0.282 498 I C -0.603 175.187 176.117 -0.546 0.000 1.059 498 I CA -0.532 60.444 61.300 -0.540 0.000 1.081 498 I CB 1.692 39.433 38.000 -0.432 0.000 1.210 498 I HN 0.518 nan 8.210 nan 0.000 0.450 499 R N 3.737 123.916 120.500 -0.535 0.000 2.668 499 R HA 0.403 4.743 4.340 0.001 0.000 0.272 499 R C -1.148 175.017 176.300 -0.225 0.000 1.019 499 R CA -0.777 55.072 56.100 -0.419 0.000 0.894 499 R CB 2.645 32.576 30.300 -0.615 0.000 1.228 499 R HN 0.500 nan 8.270 nan 0.000 0.460 500 Q N 1.765 121.475 119.800 -0.151 0.000 2.456 500 Q HA 0.248 4.588 4.340 0.001 0.000 0.234 500 Q C -1.054 174.908 176.000 -0.063 0.000 1.061 500 Q CA -0.098 55.651 55.803 -0.089 0.000 0.896 500 Q CB 1.287 29.982 28.738 -0.072 0.000 1.233 500 Q HN 0.514 nan 8.270 nan 0.000 0.506 501 T N -1.109 113.424 114.554 -0.034 0.000 2.863 501 T HA 0.530 4.880 4.350 0.001 0.000 0.285 501 T C 0.621 175.332 174.700 0.019 0.000 1.009 501 T CA -0.398 61.705 62.100 0.004 0.000 0.989 501 T CB 1.774 70.675 68.868 0.054 0.000 1.004 501 T HN 0.670 nan 8.240 nan 0.000 0.455 502 G N 0.881 109.692 108.800 0.017 0.000 2.393 502 G HA2 0.124 4.085 3.960 0.001 0.000 0.299 502 G HA3 0.124 4.085 3.960 0.001 0.000 0.299 502 G C 1.194 176.103 174.900 0.015 0.000 0.990 502 G CA 0.475 45.586 45.100 0.018 0.000 1.118 502 G HN 2.237 nan 8.290 nan 0.000 0.513 503 G N -1.311 107.493 108.800 0.006 0.000 2.179 503 G HA2 -0.084 3.877 3.960 0.001 0.000 0.260 503 G HA3 -0.084 3.877 3.960 0.001 0.000 0.260 503 G C 0.367 175.269 174.900 0.003 0.000 0.977 503 G CA 1.307 46.410 45.100 0.005 0.000 0.641 503 G HN 2.111 nan 8.290 nan 0.000 0.533 504 R N -0.903 119.599 120.500 0.003 0.000 2.739 504 R HA 0.674 5.015 4.340 0.001 0.000 0.271 504 R C 0.302 176.592 176.300 -0.016 0.000 1.010 504 R CA -0.520 55.580 56.100 -0.000 0.000 0.897 504 R CB 0.590 30.901 30.300 0.018 0.000 1.236 504 R HN 0.794 nan 8.270 nan 0.000 0.466 505 G N 1.085 109.862 108.800 -0.038 0.000 2.442 505 G HA2 0.316 4.276 3.960 0.001 0.000 0.249 505 G HA3 0.316 4.276 3.960 0.001 0.000 0.249 505 G C -0.742 174.139 174.900 -0.031 0.000 1.263 505 G CA -0.365 44.693 45.100 -0.071 0.000 0.846 505 G HN 0.371 nan 8.290 nan 0.000 0.555 506 Q N 0.167 119.948 119.800 -0.032 0.000 2.356 506 Q HA 0.393 4.733 4.340 0.001 0.000 0.270 506 Q C -1.909 174.113 176.000 0.036 0.000 1.058 506 Q CA -0.761 55.070 55.803 0.047 0.000 0.802 506 Q CB 2.944 31.770 28.738 0.147 0.000 1.303 506 Q HN 0.627 nan 8.270 nan 0.000 0.444 507 Y N -0.329 119.932 120.300 -0.064 0.000 2.358 507 Y HA 0.597 5.147 4.550 0.001 0.000 0.324 507 Y C -1.067 174.656 175.900 -0.296 0.000 1.123 507 Y CA -0.546 57.482 58.100 -0.120 0.000 1.067 507 Y CB 1.915 40.336 38.460 -0.065 0.000 1.230 507 Y HN 0.651 nan 8.280 nan 0.000 0.429 508 G N 4.514 113.060 108.800 -0.423 0.000 2.753 508 G HA2 0.441 4.401 3.960 0.001 0.000 0.297 508 G HA3 0.441 4.401 3.960 0.001 0.000 0.297 508 G C -2.579 171.989 174.900 -0.554 0.000 1.430 508 G CA -0.674 43.831 45.100 -0.991 0.000 1.040 508 G HN 0.761 nan 8.290 nan 0.000 0.530 509 H N 1.349 120.127 119.070 -0.487 0.000 3.181 509 H HA 0.510 5.067 4.556 0.001 0.000 0.331 509 H C -1.299 174.122 175.328 0.155 0.000 0.988 509 H CA -0.444 55.553 56.048 -0.085 0.000 1.449 509 H CB 1.834 31.623 29.762 0.045 0.000 1.749 509 H HN 0.691 nan 8.280 nan 0.000 0.501 510 V N 2.253 122.076 119.914 -0.152 0.000 2.864 510 V HA 0.653 4.773 4.120 0.001 0.000 0.314 510 V C -0.743 175.216 176.094 -0.224 0.000 1.073 510 V CA -0.971 61.294 62.300 -0.059 0.000 0.956 510 V CB 2.381 34.266 31.823 0.104 0.000 1.023 510 V HN 0.579 nan 8.190 nan 0.000 0.435 511 K N 4.173 124.446 120.400 -0.212 0.000 2.345 511 K HA 0.759 5.079 4.320 0.001 0.000 0.255 511 K C -1.141 175.439 176.600 -0.033 0.000 0.934 511 K CA -0.538 55.608 56.287 -0.235 0.000 0.801 511 K CB 2.423 34.576 32.500 -0.580 0.000 1.137 511 K HN 0.944 nan 8.250 nan 0.000 0.424 512 I N -1.050 119.645 120.570 0.209 0.000 2.686 512 I HA 0.478 4.648 4.170 0.001 0.000 0.295 512 I C -1.038 175.254 176.117 0.291 0.000 1.114 512 I CA -1.132 60.352 61.300 0.307 0.000 1.038 512 I CB 2.089 40.204 38.000 0.192 0.000 1.238 512 I HN 0.259 nan 8.210 nan 0.000 0.420 513 K N 4.571 125.069 120.400 0.163 0.000 2.248 513 K HA 0.630 4.950 4.320 0.001 0.000 0.281 513 K C -1.004 175.607 176.600 0.017 0.000 1.054 513 K CA -0.622 55.665 56.287 -0.000 0.000 0.903 513 K CB 2.056 34.454 32.500 -0.170 0.000 1.077 513 K HN 0.465 nan 8.250 nan 0.000 0.474 514 V N 3.078 123.012 119.914 0.034 0.000 2.581 514 V HA 0.383 4.504 4.120 0.001 0.000 0.303 514 V C -0.207 175.899 176.094 0.020 0.000 1.041 514 V CA -0.759 61.567 62.300 0.043 0.000 0.907 514 V CB 1.498 33.367 31.823 0.077 0.000 0.994 514 V HN 0.895 nan 8.190 nan 0.000 0.442 515 E N 4.756 124.965 120.200 0.016 0.000 2.408 515 E HA 0.605 4.956 4.350 0.001 0.000 0.275 515 E C -3.158 173.454 176.600 0.019 0.000 0.935 515 E CA -2.311 54.093 56.400 0.007 0.000 0.775 515 E CB 2.943 32.634 29.700 -0.016 0.000 1.277 515 E HN 0.411 nan 8.360 nan 0.000 0.455 516 P HA 0.169 nan 4.420 nan 0.000 0.279 516 P C -0.881 176.430 177.300 0.018 0.000 1.239 516 P CA -0.531 62.584 63.100 0.026 0.000 0.789 516 P CB 0.695 32.409 31.700 0.023 0.000 0.933 517 L N 5.703 126.942 121.223 0.026 0.000 2.352 517 L HA 0.557 4.898 4.340 0.001 0.000 0.269 517 L C -2.079 174.804 176.870 0.023 0.000 1.034 517 L CA -2.541 52.310 54.840 0.019 0.000 0.806 517 L CB 0.004 42.078 42.059 0.025 0.000 1.244 517 L HN 0.258 nan 8.230 nan 0.000 0.447 518 P HA 0.023 nan 4.420 nan 0.000 0.264 518 P C -0.661 176.658 177.300 0.032 0.000 1.179 518 P CA -0.272 62.840 63.100 0.020 0.000 0.763 518 P CB 0.292 32.001 31.700 0.015 0.000 0.806 519 R N 2.611 123.133 120.500 0.036 0.000 2.583 519 R HA 0.265 4.605 4.340 0.001 0.000 0.274 519 R C 1.493 177.834 176.300 0.068 0.000 0.998 519 R CA 1.749 57.883 56.100 0.056 0.000 1.081 519 R CB -1.146 29.192 30.300 0.064 0.000 0.940 519 R HN 0.798 nan 8.270 nan 0.000 0.413 520 G N 1.857 110.704 108.800 0.078 0.000 2.179 520 G HA2 -0.311 3.649 3.960 0.001 0.000 0.260 520 G HA3 -0.311 3.649 3.960 0.001 0.000 0.260 520 G C 0.897 175.839 174.900 0.069 0.000 0.977 520 G CA 0.595 45.749 45.100 0.090 0.000 0.641 520 G HN 0.579 nan 8.290 nan 0.000 0.533 521 S N -0.078 115.655 115.700 0.056 0.000 2.470 521 S HA 0.403 4.873 4.470 0.001 0.000 0.225 521 S C 2.069 176.704 174.600 0.059 0.000 1.006 521 S CA 1.716 59.945 58.200 0.048 0.000 0.934 521 S CB -0.076 63.145 63.200 0.034 0.000 0.778 521 S HN 2.247 nan 8.310 nan 0.000 0.517 522 G N 1.098 109.942 108.800 0.074 0.000 2.754 522 G HA2 -0.203 3.758 3.960 0.001 0.000 0.241 522 G HA3 -0.203 3.758 3.960 0.001 0.000 0.241 522 G C -0.586 174.429 174.900 0.192 0.000 1.281 522 G CA -0.088 45.079 45.100 0.111 0.000 0.971 522 G HN 0.433 nan 8.290 nan 0.000 0.569 523 F N 2.189 122.155 119.950 0.027 0.000 2.576 523 F HA 0.794 5.322 4.527 0.001 0.000 0.313 523 F C -0.586 175.249 175.800 0.059 0.000 1.078 523 F CA -0.481 57.546 58.000 0.044 0.000 0.921 523 F CB 2.344 41.370 39.000 0.043 0.000 1.232 523 F HN 0.771 nan 8.300 nan 0.000 0.459 524 E N 5.602 125.310 120.200 -0.820 0.000 2.313 524 E HA 0.316 4.667 4.350 0.001 0.000 0.280 524 E C -2.325 173.877 176.600 -0.663 0.000 0.898 524 E CA -0.484 55.591 56.400 -0.542 0.000 0.803 524 E CB 1.259 30.815 29.700 -0.239 0.000 1.286 524 E HN 0.558 nan 8.360 nan 0.000 0.401 525 F N 4.716 124.297 119.950 -0.615 0.000 2.495 525 F HA 0.672 5.200 4.527 0.001 0.000 0.327 525 F C -1.529 174.173 175.800 -0.163 0.000 1.103 525 F CA -0.544 57.236 58.000 -0.368 0.000 0.949 525 F CB 1.401 40.267 39.000 -0.222 0.000 1.142 525 F HN 0.233 nan 8.300 nan 0.000 0.457 526 V N 4.979 124.337 119.914 -0.927 0.000 2.638 526 V HA 0.298 4.418 4.120 0.001 0.000 0.306 526 V C -1.051 174.664 176.094 -0.631 0.000 1.052 526 V CA -0.932 61.046 62.300 -0.536 0.000 0.885 526 V CB 1.841 33.480 31.823 -0.307 0.000 0.999 526 V HN 0.704 nan 8.190 nan 0.000 0.424 527 N N 3.446 121.987 118.700 -0.266 0.000 2.589 527 N HA 0.450 5.191 4.740 0.001 0.000 0.232 527 N C 0.381 175.863 175.510 -0.046 0.000 1.015 527 N CA -0.099 52.889 53.050 -0.103 0.000 0.931 527 N CB 1.657 40.193 38.487 0.082 0.000 1.150 527 N HN 0.792 nan 8.380 nan 0.000 0.512 528 A N 4.289 127.088 122.820 -0.034 0.000 2.370 528 A HA 0.219 4.539 4.320 0.001 0.000 0.238 528 A C 0.515 178.134 177.584 0.057 0.000 1.289 528 A CA -0.294 51.753 52.037 0.017 0.000 0.885 528 A CB -0.302 18.718 19.000 0.034 0.000 0.961 528 A HN 0.560 nan 8.150 nan 0.000 0.499 529 I N 0.625 121.226 120.570 0.051 0.000 2.587 529 I HA -0.020 4.150 4.170 0.001 0.000 0.284 529 I C 1.290 177.432 176.117 0.041 0.000 1.134 529 I CA 0.570 61.903 61.300 0.054 0.000 1.410 529 I CB 1.087 39.116 38.000 0.049 0.000 1.392 529 I HN 0.083 nan 8.210 nan 0.000 0.545 530 V N 6.308 126.250 119.914 0.047 0.000 3.621 530 V HA 0.356 4.476 4.120 0.001 0.000 0.263 530 V C 1.040 177.154 176.094 0.033 0.000 1.272 530 V CA 0.884 63.208 62.300 0.039 0.000 1.080 530 V CB 0.910 32.762 31.823 0.048 0.000 0.816 530 V HN 0.915 nan 8.190 nan 0.000 0.451 531 G N -1.377 107.445 108.800 0.037 0.000 5.338 531 G HA2 0.434 4.395 3.960 0.001 0.000 0.198 531 G HA3 0.434 4.395 3.960 0.001 0.000 0.198 531 G C 0.757 175.679 174.900 0.037 0.000 0.708 531 G CA 0.303 45.423 45.100 0.033 0.000 0.626 531 G HN 1.003 nan 8.290 nan 0.000 0.419 532 G N -0.523 108.286 108.800 0.015 0.000 2.166 532 G HA2 -0.294 3.667 3.960 0.001 0.000 0.260 532 G HA3 -0.294 3.667 3.960 0.001 0.000 0.260 532 G C 1.417 176.343 174.900 0.044 0.000 0.986 532 G CA 0.779 45.873 45.100 -0.010 0.000 0.683 532 G HN 1.043 nan 8.290 nan 0.000 0.527 533 V N -0.190 119.780 119.914 0.094 0.000 2.332 533 V HA -0.009 4.111 4.120 0.001 0.000 0.248 533 V C 1.676 177.916 176.094 0.243 0.000 1.055 533 V CA 2.082 64.490 62.300 0.180 0.000 1.038 533 V CB -0.150 31.754 31.823 0.134 0.000 0.651 533 V HN 0.523 nan 8.190 nan 0.000 0.450 534 I N 0.868 121.504 120.570 0.110 0.000 2.362 534 I HA 0.330 4.500 4.170 0.001 0.000 0.289 534 I C -2.452 173.565 176.117 -0.165 0.000 0.994 534 I CA -2.162 59.143 61.300 0.009 0.000 1.158 534 I CB 1.864 39.846 38.000 -0.031 0.000 1.315 534 I HN 0.077 nan 8.210 nan 0.000 0.451 535 P HA -0.003 nan 4.420 nan 0.000 0.265 535 P C 0.395 177.520 177.300 -0.292 0.000 1.193 535 P CA -0.266 62.624 63.100 -0.350 0.000 0.765 535 P CB 0.444 31.864 31.700 -0.467 0.000 0.823 536 K N 2.910 123.174 120.400 -0.227 0.000 2.160 536 K HA -0.238 4.082 4.320 0.001 0.000 0.206 536 K C 0.799 177.264 176.600 -0.225 0.000 1.047 536 K CA 1.846 58.028 56.287 -0.174 0.000 0.930 536 K CB -0.460 31.966 32.500 -0.123 0.000 0.720 536 K HN 0.326 nan 8.250 nan 0.000 0.450 537 E N 0.360 120.342 120.200 -0.363 0.000 2.265 537 E HA -0.151 4.199 4.350 0.001 0.000 0.196 537 E C 0.954 177.294 176.600 -0.433 0.000 0.996 537 E CA 1.148 57.288 56.400 -0.433 0.000 0.832 537 E CB -0.217 29.117 29.700 -0.610 0.000 0.756 537 E HN 0.486 nan 8.360 nan 0.000 0.491 538 Y N -0.377 119.793 120.300 -0.217 0.000 2.457 538 Y HA 0.151 4.701 4.550 0.001 0.000 0.263 538 Y C 1.590 177.357 175.900 -0.220 0.000 1.164 538 Y CA -0.481 57.464 58.100 -0.258 0.000 1.274 538 Y CB 0.148 38.240 38.460 -0.613 0.000 1.097 538 Y HN 0.040 nan 8.280 nan 0.000 0.523 539 I N 1.008 121.537 120.570 -0.068 0.000 2.226 539 I HA -0.146 4.024 4.170 0.001 0.000 0.245 539 I C -0.491 175.610 176.117 -0.027 0.000 1.100 539 I CA 1.169 62.456 61.300 -0.022 0.000 1.374 539 I CB -2.091 35.909 38.000 0.001 0.000 1.057 539 I HN 0.106 nan 8.210 nan 0.000 0.413 540 P HA -0.100 nan 4.420 nan 0.000 0.216 540 P C 1.739 179.022 177.300 -0.028 0.000 1.150 540 P CA 1.818 64.888 63.100 -0.050 0.000 0.837 540 P CB -0.003 31.676 31.700 -0.035 0.000 0.786 541 A N -0.203 122.637 122.820 0.033 0.000 1.908 541 A HA -0.189 4.131 4.320 0.001 0.000 0.218 541 A C 2.376 179.996 177.584 0.060 0.000 1.181 541 A CA 2.236 54.317 52.037 0.074 0.000 0.627 541 A CB -1.835 17.271 19.000 0.176 0.000 0.818 541 A HN 0.214 nan 8.150 nan 0.000 0.445 542 V N -0.622 119.336 119.914 0.074 0.000 2.453 542 V HA -0.251 3.870 4.120 0.001 0.000 0.247 542 V C 2.117 178.196 176.094 -0.026 0.000 1.048 542 V CA 2.464 64.817 62.300 0.089 0.000 1.049 542 V CB -0.765 31.173 31.823 0.192 0.000 0.672 542 V HN 0.670 nan 8.190 nan 0.000 0.457 543 Q N 0.013 119.712 119.800 -0.169 0.000 2.084 543 Q HA -0.228 4.113 4.340 0.001 0.000 0.202 543 Q C 2.434 178.343 176.000 -0.152 0.000 0.978 543 Q CA 2.130 57.741 55.803 -0.320 0.000 0.844 543 Q CB -0.297 28.166 28.738 -0.458 0.000 0.898 543 Q HN 0.612 nan 8.270 nan 0.000 0.426 544 K N -0.040 120.301 120.400 -0.098 0.000 2.097 544 K HA -0.135 4.185 4.320 0.001 0.000 0.206 544 K C 2.021 178.583 176.600 -0.063 0.000 1.049 544 K CA 1.212 57.456 56.287 -0.071 0.000 0.933 544 K CB -0.213 32.259 32.500 -0.046 0.000 0.717 544 K HN 0.298 nan 8.250 nan 0.000 0.442 545 G N 1.291 110.065 108.800 -0.043 0.000 2.404 545 G HA2 -0.215 3.746 3.960 0.001 0.000 0.215 545 G HA3 -0.215 3.746 3.960 0.001 0.000 0.215 545 G C 1.520 176.398 174.900 -0.035 0.000 1.174 545 G CA 0.561 45.639 45.100 -0.037 0.000 0.780 545 G HN 0.189 nan 8.290 nan 0.000 0.537 546 I N 0.531 121.091 120.570 -0.016 0.000 2.118 546 I HA -0.230 3.941 4.170 0.001 0.000 0.241 546 I C 2.695 178.756 176.117 -0.093 0.000 1.070 546 I CA 1.790 63.090 61.300 -0.000 0.000 1.327 546 I CB -0.204 37.849 38.000 0.088 0.000 1.034 546 I HN 0.330 nan 8.210 nan 0.000 0.405 547 E N 0.993 121.106 120.200 -0.145 0.000 2.049 547 E HA -0.299 4.051 4.350 0.001 0.000 0.198 547 E C 2.052 178.556 176.600 -0.160 0.000 1.007 547 E CA 1.882 58.151 56.400 -0.218 0.000 0.809 547 E CB -0.052 29.545 29.700 -0.172 0.000 0.749 547 E HN 0.502 nan 8.360 nan 0.000 0.450 548 E N -0.317 119.819 120.200 -0.107 0.000 2.153 548 E HA -0.160 4.191 4.350 0.001 0.000 0.194 548 E C 1.889 178.444 176.600 -0.075 0.000 0.988 548 E CA 0.827 57.176 56.400 -0.085 0.000 0.811 548 E CB -0.073 29.587 29.700 -0.067 0.000 0.746 548 E HN 0.362 nan 8.360 nan 0.000 0.466 549 A N 0.595 123.375 122.820 -0.068 0.000 2.067 549 A HA -0.040 4.281 4.320 0.001 0.000 0.217 549 A C 2.004 179.559 177.584 -0.049 0.000 1.156 549 A CA 0.618 52.627 52.037 -0.046 0.000 0.683 549 A CB -0.214 18.769 19.000 -0.028 0.000 0.808 549 A HN 0.130 nan 8.150 nan 0.000 0.455 550 M N -0.741 118.809 119.600 -0.083 0.000 2.476 550 M HA -0.136 4.344 4.480 0.001 0.000 0.262 550 M C 1.963 178.211 176.300 -0.086 0.000 1.079 550 M CA 0.870 56.113 55.300 -0.094 0.000 1.104 550 M CB -0.310 32.181 32.600 -0.183 0.000 1.409 550 M HN 0.506 nan 8.290 nan 0.000 0.467 551 Q N -0.598 119.147 119.800 -0.092 0.000 2.291 551 Q HA -0.032 4.309 4.340 0.001 0.000 0.206 551 Q C 0.388 176.340 176.000 -0.080 0.000 0.976 551 Q CA 0.621 56.367 55.803 -0.093 0.000 0.875 551 Q CB 0.148 28.829 28.738 -0.096 0.000 0.927 551 Q HN 0.156 nan 8.270 nan 0.000 0.450 552 S N -0.378 115.295 115.700 -0.044 0.000 2.733 552 S HA 0.539 5.009 4.470 0.001 0.000 0.294 552 S C -0.425 174.185 174.600 0.016 0.000 1.149 552 S CA -0.741 57.450 58.200 -0.015 0.000 1.034 552 S CB 1.254 64.452 63.200 -0.004 0.000 1.015 552 S HN 0.319 nan 8.310 nan 0.000 0.486 553 G N 3.713 112.542 108.800 0.049 0.000 2.528 553 G HA2 0.476 4.437 3.960 0.001 0.000 0.289 553 G HA3 0.476 4.437 3.960 0.001 0.000 0.289 553 G C -1.663 173.271 174.900 0.056 0.000 1.192 553 G CA -1.323 43.810 45.100 0.056 0.000 0.921 553 G HN 0.500 nan 8.290 nan 0.000 0.512 554 P HA -0.006 nan 4.420 nan 0.000 0.224 554 P C 1.854 179.178 177.300 0.041 0.000 1.157 554 P CA 0.575 63.697 63.100 0.038 0.000 0.799 554 P CB 0.360 32.078 31.700 0.030 0.000 0.809 555 L N -0.117 121.132 121.223 0.045 0.000 1.982 555 L HA -0.014 4.326 4.340 0.001 0.000 0.206 555 L C 2.301 179.199 176.870 0.047 0.000 1.078 555 L CA 1.648 56.507 54.840 0.032 0.000 0.749 555 L CB -0.652 41.416 42.059 0.015 0.000 0.894 555 L HN -0.096 nan 8.230 nan 0.000 0.436 556 I N -4.412 116.213 120.570 0.092 0.000 4.102 556 I HA 0.486 4.656 4.170 0.001 0.000 0.325 556 I C 0.881 177.171 176.117 0.289 0.000 1.471 556 I CA 0.141 61.537 61.300 0.160 0.000 1.133 556 I CB 0.751 38.816 38.000 0.110 0.000 1.184 556 I HN 0.258 nan 8.210 nan 0.000 0.451 557 G N 1.302 110.220 108.800 0.197 0.000 2.160 557 G HA2 -0.287 3.673 3.960 0.001 0.000 0.251 557 G HA3 -0.287 3.673 3.960 0.001 0.000 0.251 557 G C -0.201 174.736 174.900 0.063 0.000 1.008 557 G CA 0.087 45.263 45.100 0.125 0.000 0.724 557 G HN 0.421 nan 8.290 nan 0.000 0.514 558 F N 0.154 120.130 119.950 0.043 0.000 2.483 558 F HA 0.577 5.105 4.527 0.001 0.000 0.329 558 F C -1.638 174.161 175.800 -0.001 0.000 1.064 558 F CA -2.489 55.529 58.000 0.030 0.000 0.986 558 F CB 1.638 40.696 39.000 0.097 0.000 1.218 558 F HN -0.164 nan 8.300 nan 0.000 0.484 559 P HA -0.029 nan 4.420 nan 0.000 0.266 559 P C -1.062 176.259 177.300 0.035 0.000 1.186 559 P CA 0.064 63.180 63.100 0.027 0.000 0.767 559 P CB 0.318 32.016 31.700 -0.003 0.000 0.820 560 V N 3.683 123.593 119.914 -0.007 0.000 2.407 560 V HA 0.422 4.543 4.120 0.001 0.000 0.278 560 V C 0.690 176.776 176.094 -0.014 0.000 1.037 560 V CA -0.309 61.992 62.300 0.002 0.000 0.900 560 V CB 1.166 32.992 31.823 0.005 0.000 0.983 560 V HN 0.444 nan 8.190 nan 0.000 0.459 561 V N 0.511 120.426 119.914 0.001 0.000 3.155 561 V HA 0.732 4.852 4.120 0.001 0.000 0.313 561 V C -0.343 175.782 176.094 0.052 0.000 1.162 561 V CA -0.998 61.309 62.300 0.011 0.000 1.048 561 V CB 1.929 33.719 31.823 -0.055 0.000 1.092 561 V HN 0.757 nan 8.190 nan 0.000 0.447 562 D N 0.628 121.074 120.400 0.076 0.000 2.705 562 D HA -0.152 4.488 4.640 0.001 0.000 0.240 562 D C -0.381 175.972 176.300 0.090 0.000 1.137 562 D CA 1.676 55.721 54.000 0.075 0.000 0.677 562 D CB -1.144 39.682 40.800 0.044 0.000 1.049 562 D HN 1.083 nan 8.370 nan 0.000 0.427 563 I N -3.600 117.057 120.570 0.145 0.000 2.894 563 I HA 0.590 4.760 4.170 0.001 0.000 0.302 563 I C -0.565 175.620 176.117 0.113 0.000 1.188 563 I CA -1.232 60.149 61.300 0.134 0.000 1.014 563 I CB 2.645 40.745 38.000 0.167 0.000 1.242 563 I HN -0.127 nan 8.210 nan 0.000 0.430 564 K N 4.128 124.548 120.400 0.034 0.000 2.358 564 K HA 0.727 5.048 4.320 0.001 0.000 0.260 564 K C -1.883 174.698 176.600 -0.032 0.000 0.956 564 K CA -0.573 55.675 56.287 -0.065 0.000 0.834 564 K CB 2.072 34.523 32.500 -0.083 0.000 1.102 564 K HN 0.638 nan 8.250 nan 0.000 0.431 565 V N 3.101 122.982 119.914 -0.054 0.000 2.513 565 V HA 0.427 4.548 4.120 0.001 0.000 0.299 565 V C -0.525 175.443 176.094 -0.210 0.000 1.035 565 V CA -0.708 61.601 62.300 0.014 0.000 0.889 565 V CB 1.816 33.806 31.823 0.278 0.000 0.988 565 V HN 0.885 nan 8.190 nan 0.000 0.440 566 T N 5.635 120.098 114.554 -0.152 0.000 2.892 566 T HA 0.396 4.747 4.350 0.001 0.000 0.311 566 T C -0.627 174.046 174.700 -0.046 0.000 1.033 566 T CA -0.270 61.695 62.100 -0.226 0.000 0.991 566 T CB 1.008 69.784 68.868 -0.153 0.000 0.981 566 T HN 0.443 nan 8.240 nan 0.000 0.457 567 L N 5.285 126.422 121.223 -0.142 0.000 2.360 567 L HA 0.400 4.740 4.340 0.001 0.000 0.276 567 L C 0.169 177.122 176.870 0.138 0.000 1.121 567 L CA 0.230 55.117 54.840 0.078 0.000 0.845 567 L CB -0.049 42.100 42.059 0.150 0.000 1.143 567 L HN 0.774 nan 8.230 nan 0.000 0.452 568 Y N 1.319 121.624 120.300 0.009 0.000 2.648 568 Y HA 0.556 5.107 4.550 0.001 0.000 0.270 568 Y C -0.384 175.547 175.900 0.050 0.000 1.043 568 Y CA -0.737 57.370 58.100 0.013 0.000 1.238 568 Y CB 0.213 38.668 38.460 -0.007 0.000 1.385 568 Y HN 0.522 nan 8.280 nan 0.000 0.569 569 D N -0.494 119.599 120.400 -0.511 0.000 2.692 569 D HA 0.604 5.244 4.640 0.001 0.000 0.290 569 D C -0.388 175.822 176.300 -0.149 0.000 1.281 569 D CA 0.628 54.427 54.000 -0.335 0.000 0.804 569 D CB 1.904 42.397 40.800 -0.512 0.000 1.331 569 D HN 0.553 nan 8.370 nan 0.000 0.432 570 G N -0.443 108.402 108.800 0.075 0.000 2.333 570 G HA2 0.554 4.515 3.960 0.001 0.000 0.288 570 G HA3 0.554 4.515 3.960 0.001 0.000 0.288 570 G C -1.555 173.697 174.900 0.586 0.000 1.286 570 G CA 0.188 45.495 45.100 0.344 0.000 0.865 570 G HN 1.117 nan 8.290 nan 0.000 0.506 571 S N -1.633 114.519 115.700 0.755 0.000 2.643 571 S HA 0.871 5.341 4.470 0.001 0.000 0.270 571 S C -1.128 173.899 174.600 0.713 0.000 1.166 571 S CA -0.398 58.098 58.200 0.493 0.000 0.815 571 S CB 1.865 65.146 63.200 0.135 0.000 1.139 571 S HN 2.267 nan 8.310 nan 0.000 0.472 572 Y N -1.237 119.197 120.300 0.224 0.000 2.644 572 Y HA 0.764 5.314 4.550 0.001 0.000 0.338 572 Y C -0.871 174.782 175.900 -0.411 0.000 1.119 572 Y CA -1.131 57.044 58.100 0.125 0.000 1.060 572 Y CB 0.696 39.370 38.460 0.358 0.000 1.294 572 Y HN 0.984 nan 8.280 nan 0.000 0.472 573 H N 2.099 120.865 119.070 -0.505 0.000 2.492 573 H HA 0.228 4.784 4.556 0.001 0.000 0.345 573 H C 0.662 175.949 175.328 -0.068 0.000 1.136 573 H CA 0.155 55.891 56.048 -0.520 0.000 1.202 573 H CB 2.257 31.697 29.762 -0.536 0.000 1.524 573 H HN 1.051 nan 8.280 nan 0.000 0.506 574 E N 2.516 122.505 120.200 -0.351 0.000 2.118 574 E HA -0.156 4.195 4.350 0.001 0.000 0.195 574 E C 1.120 177.836 176.600 0.194 0.000 0.992 574 E CA 2.211 58.603 56.400 -0.014 0.000 0.804 574 E CB 0.016 29.619 29.700 -0.160 0.000 0.741 574 E HN 0.370 nan 8.360 nan 0.000 0.458 575 V N -2.440 117.670 119.914 0.326 0.000 3.484 575 V HA 0.116 4.236 4.120 0.001 0.000 0.252 575 V C 1.220 177.451 176.094 0.228 0.000 1.282 575 V CA 0.575 63.031 62.300 0.260 0.000 1.104 575 V CB 0.412 32.345 31.823 0.183 0.000 0.868 575 V HN -0.121 nan 8.190 nan 0.000 0.457 576 D N 1.632 122.171 120.400 0.231 0.000 2.317 576 D HA 0.131 4.771 4.640 0.001 0.000 0.211 576 D C 1.193 177.578 176.300 0.143 0.000 0.966 576 D CA 0.673 54.703 54.000 0.050 0.000 0.876 576 D CB 0.136 40.800 40.800 -0.225 0.000 0.927 576 D HN 0.470 nan 8.370 nan 0.000 0.519 577 S N -0.125 115.707 115.700 0.220 0.000 2.593 577 S HA 0.420 4.891 4.470 0.001 0.000 0.269 577 S C 0.428 175.069 174.600 0.069 0.000 1.334 577 S CA -0.404 57.895 58.200 0.165 0.000 1.015 577 S CB 1.083 64.468 63.200 0.307 0.000 0.912 577 S HN 0.311 nan 8.310 nan 0.000 0.541 578 S N 0.671 116.293 115.700 -0.130 0.000 2.615 578 S HA 0.330 4.800 4.470 0.001 0.000 0.268 578 S C 0.189 174.790 174.600 0.002 0.000 1.146 578 S CA -0.892 57.320 58.200 0.020 0.000 0.818 578 S CB 0.642 63.908 63.200 0.110 0.000 1.111 578 S HN 0.586 nan 8.310 nan 0.000 0.465 579 E N 0.479 120.833 120.200 0.256 0.000 2.072 579 E HA -0.143 4.207 4.350 0.001 0.000 0.191 579 E C 1.846 178.521 176.600 0.124 0.000 0.985 579 E CA 1.172 57.729 56.400 0.262 0.000 0.801 579 E CB -0.206 29.630 29.700 0.225 0.000 0.750 579 E HN 0.622 nan 8.360 nan 0.000 0.452 580 M N 1.154 120.794 119.600 0.068 0.000 2.106 580 M HA -0.217 4.264 4.480 0.001 0.000 0.259 580 M C 2.248 178.486 176.300 -0.103 0.000 1.068 580 M CA 1.973 57.261 55.300 -0.019 0.000 1.100 580 M CB -0.329 32.269 32.600 -0.003 0.000 1.351 580 M HN 0.122 nan 8.290 nan 0.000 0.404 581 A N -0.636 122.163 122.820 -0.036 0.000 1.897 581 A HA -0.125 4.196 4.320 0.001 0.000 0.215 581 A C 1.803 179.295 177.584 -0.154 0.000 1.181 581 A CA 1.171 53.173 52.037 -0.058 0.000 0.620 581 A CB -1.072 17.947 19.000 0.031 0.000 0.821 581 A HN 0.540 nan 8.150 nan 0.000 0.443 582 F N 0.169 120.078 119.950 -0.068 0.000 2.325 582 F HA -0.037 4.491 4.527 0.001 0.000 0.299 582 F C 2.286 178.067 175.800 -0.031 0.000 1.090 582 F CA 1.591 59.575 58.000 -0.027 0.000 1.392 582 F CB 0.110 39.099 39.000 -0.018 0.000 1.053 582 F HN 0.178 nan 8.300 nan 0.000 0.521 583 K N 1.086 121.540 120.400 0.091 0.000 2.001 583 K HA -0.174 4.146 4.320 0.001 0.000 0.208 583 K C 2.066 178.622 176.600 -0.074 0.000 1.048 583 K CA 1.667 57.959 56.287 0.008 0.000 0.932 583 K CB -0.416 32.069 32.500 -0.025 0.000 0.715 583 K HN 0.232 nan 8.250 nan 0.000 0.437 584 I N 1.330 121.776 120.570 -0.207 0.000 2.208 584 I HA -0.275 3.895 4.170 0.001 0.000 0.245 584 I C 2.509 178.533 176.117 -0.156 0.000 1.097 584 I CA 1.286 62.401 61.300 -0.309 0.000 1.363 584 I CB -0.347 37.162 38.000 -0.818 0.000 1.051 584 I HN 0.277 nan 8.210 nan 0.000 0.413 585 A N 0.751 123.510 122.820 -0.102 0.000 1.972 585 A HA -0.120 4.200 4.320 0.001 0.000 0.219 585 A C 2.405 179.999 177.584 0.017 0.000 1.169 585 A CA 1.833 53.854 52.037 -0.026 0.000 0.635 585 A CB -1.297 17.660 19.000 -0.071 0.000 0.810 585 A HN 0.481 nan 8.150 nan 0.000 0.446 586 G N -0.847 107.979 108.800 0.043 0.000 2.404 586 G HA2 -0.119 3.842 3.960 0.001 0.000 0.215 586 G HA3 -0.119 3.842 3.960 0.001 0.000 0.215 586 G C 1.831 176.753 174.900 0.036 0.000 1.174 586 G CA 1.196 46.336 45.100 0.068 0.000 0.780 586 G HN 0.471 nan 8.290 nan 0.000 0.537 587 S N 0.490 116.187 115.700 -0.005 0.000 2.359 587 S HA -0.139 4.332 4.470 0.001 0.000 0.224 587 S C 2.443 177.043 174.600 0.001 0.000 1.035 587 S CA 1.624 59.815 58.200 -0.015 0.000 1.018 587 S CB -0.306 62.867 63.200 -0.046 0.000 0.876 587 S HN 0.358 nan 8.310 nan 0.000 0.448 588 M N 0.992 120.591 119.600 -0.000 0.000 2.108 588 M HA -0.152 4.328 4.480 0.001 0.000 0.261 588 M C 2.468 178.782 176.300 0.023 0.000 1.066 588 M CA 1.597 56.906 55.300 0.014 0.000 1.107 588 M CB -0.568 32.045 32.600 0.022 0.000 1.356 588 M HN 0.405 nan 8.290 nan 0.000 0.406 589 A N 0.244 123.082 122.820 0.030 0.000 1.933 589 A HA -0.133 4.187 4.320 0.001 0.000 0.218 589 A C 2.103 179.722 177.584 0.059 0.000 1.175 589 A CA 1.245 53.309 52.037 0.044 0.000 0.628 589 A CB -0.632 18.404 19.000 0.059 0.000 0.814 589 A HN 0.374 nan 8.150 nan 0.000 0.444 590 I N -0.444 120.162 120.570 0.061 0.000 2.233 590 I HA -0.135 4.035 4.170 0.001 0.000 0.243 590 I C 2.120 178.264 176.117 0.045 0.000 1.093 590 I CA 1.370 62.709 61.300 0.065 0.000 1.380 590 I CB -0.776 37.260 38.000 0.060 0.000 1.067 590 I HN 0.178 nan 8.210 nan 0.000 0.413 591 K N 0.715 121.133 120.400 0.030 0.000 2.001 591 K HA -0.254 4.066 4.320 0.001 0.000 0.214 591 K C 1.948 178.565 176.600 0.030 0.000 1.050 591 K CA 1.629 57.931 56.287 0.025 0.000 0.934 591 K CB -0.837 31.673 32.500 0.018 0.000 0.718 591 K HN 0.243 nan 8.250 nan 0.000 0.443 592 E N 0.783 121.002 120.200 0.030 0.000 2.070 592 E HA -0.170 4.181 4.350 0.001 0.000 0.197 592 E C 1.760 178.382 176.600 0.037 0.000 1.004 592 E CA 1.866 58.285 56.400 0.031 0.000 0.805 592 E CB -0.378 29.340 29.700 0.029 0.000 0.744 592 E HN 0.266 nan 8.360 nan 0.000 0.451 593 A N -0.085 122.762 122.820 0.046 0.000 1.898 593 A HA -0.104 4.216 4.320 0.001 0.000 0.216 593 A C 2.527 180.138 177.584 0.045 0.000 1.181 593 A CA 1.614 53.681 52.037 0.051 0.000 0.620 593 A CB -0.655 18.385 19.000 0.067 0.000 0.819 593 A HN 0.205 nan 8.150 nan 0.000 0.442 594 V N 0.221 120.162 119.914 0.045 0.000 2.427 594 V HA -0.279 3.841 4.120 0.001 0.000 0.248 594 V C 2.565 178.680 176.094 0.034 0.000 1.051 594 V CA 2.087 64.412 62.300 0.042 0.000 1.048 594 V CB -0.910 30.937 31.823 0.040 0.000 0.666 594 V HN 0.640 nan 8.190 nan 0.000 0.456 595 Q N -0.432 119.387 119.800 0.031 0.000 2.172 595 Q HA -0.112 4.228 4.340 0.001 0.000 0.200 595 Q C 2.186 178.200 176.000 0.025 0.000 0.964 595 Q CA 0.768 56.587 55.803 0.026 0.000 0.855 595 Q CB -0.153 28.600 28.738 0.024 0.000 0.918 595 Q HN 0.485 nan 8.270 nan 0.000 0.444 596 K N 0.231 120.648 120.400 0.027 0.000 2.366 596 K HA 0.000 4.321 4.320 0.001 0.000 0.198 596 K C 1.429 178.043 176.600 0.025 0.000 1.044 596 K CA 0.703 57.005 56.287 0.025 0.000 0.973 596 K CB 0.215 32.732 32.500 0.028 0.000 0.767 596 K HN 0.177 nan 8.250 nan 0.000 0.475 597 G N 1.366 110.182 108.800 0.027 0.000 3.496 597 G HA2 -0.004 3.956 3.960 0.001 0.000 0.273 597 G HA3 -0.004 3.956 3.960 0.001 0.000 0.273 597 G C -0.740 174.174 174.900 0.024 0.000 1.279 597 G CA -0.321 44.795 45.100 0.027 0.000 1.041 597 G HN 0.183 nan 8.290 nan 0.000 0.539 598 D N 0.475 120.887 120.400 0.021 0.000 2.803 598 D HA -0.121 4.520 4.640 0.001 0.000 0.233 598 D C -1.912 174.401 176.300 0.021 0.000 1.182 598 D CA 0.595 54.606 54.000 0.019 0.000 0.726 598 D CB -0.257 40.553 40.800 0.017 0.000 0.987 598 D HN 0.337 nan 8.370 nan 0.000 0.412 599 P HA 0.307 nan 4.420 nan 0.000 0.273 599 P C -0.290 177.024 177.300 0.022 0.000 1.250 599 P CA -0.411 62.705 63.100 0.026 0.000 0.793 599 P CB 1.190 32.906 31.700 0.027 0.000 1.011 600 V N 0.901 120.830 119.914 0.025 0.000 2.966 600 V HA 0.250 4.370 4.120 0.001 0.000 0.288 600 V C -0.585 175.526 176.094 0.029 0.000 1.380 600 V CA -0.714 61.600 62.300 0.023 0.000 0.966 600 V CB 1.848 33.688 31.823 0.029 0.000 1.115 600 V HN 0.308 nan 8.190 nan 0.000 0.436 601 I N 6.085 126.663 120.570 0.014 0.000 2.474 601 I HA 0.397 4.567 4.170 0.001 0.000 0.287 601 I C -0.413 175.753 176.117 0.082 0.000 1.048 601 I CA -0.157 61.153 61.300 0.018 0.000 1.383 601 I CB 1.024 38.972 38.000 -0.086 0.000 1.412 601 I HN 0.366 nan 8.210 nan 0.000 0.531 602 L N 6.562 127.876 121.223 0.152 0.000 2.322 602 L HA 0.499 4.839 4.340 0.001 0.000 0.281 602 L C -0.216 176.924 176.870 0.450 0.000 1.014 602 L CA -0.633 54.367 54.840 0.267 0.000 0.815 602 L CB 1.294 43.501 42.059 0.247 0.000 1.247 602 L HN 0.629 nan 8.230 nan 0.000 0.421 603 E N 3.279 123.711 120.200 0.387 0.000 2.244 603 E HA 0.595 4.945 4.350 0.001 0.000 0.266 603 E C -2.796 173.740 176.600 -0.106 0.000 0.914 603 E CA -2.472 54.086 56.400 0.263 0.000 0.794 603 E CB 1.861 31.722 29.700 0.269 0.000 1.210 603 E HN 0.199 nan 8.360 nan 0.000 0.414 604 P HA 0.117 nan 4.420 nan 0.000 0.271 604 P C -0.551 176.523 177.300 -0.376 0.000 1.216 604 P CA -0.149 62.586 63.100 -0.609 0.000 0.776 604 P CB 0.543 31.981 31.700 -0.437 0.000 0.881 605 I N 4.121 124.374 120.570 -0.527 0.000 2.406 605 I HA 0.343 4.513 4.170 0.001 0.000 0.290 605 I C 0.502 176.309 176.117 -0.518 0.000 0.999 605 I CA -0.973 59.991 61.300 -0.559 0.000 1.124 605 I CB 1.276 38.716 38.000 -0.934 0.000 1.289 605 I HN 0.217 nan 8.210 nan 0.000 0.441 606 M N 5.352 124.809 119.600 -0.239 0.000 2.363 606 M HA 0.436 4.916 4.480 0.001 0.000 0.343 606 M C 0.203 176.555 176.300 0.087 0.000 1.165 606 M CA -0.624 54.626 55.300 -0.083 0.000 1.046 606 M CB 0.891 33.469 32.600 -0.036 0.000 1.648 606 M HN 0.394 nan 8.290 nan 0.000 0.452 607 R N 1.149 121.762 120.500 0.188 0.000 2.347 607 R HA 0.491 4.832 4.340 0.001 0.000 0.304 607 R C -1.217 175.229 176.300 0.243 0.000 1.072 607 R CA -0.095 56.183 56.100 0.297 0.000 0.980 607 R CB 0.511 31.000 30.300 0.314 0.000 0.986 607 R HN 0.509 nan 8.270 nan 0.000 0.448 608 V N 4.255 124.267 119.914 0.163 0.000 2.483 608 V HA 0.226 4.346 4.120 0.001 0.000 0.297 608 V C -0.593 175.584 176.094 0.139 0.000 1.027 608 V CA -0.745 61.642 62.300 0.144 0.000 0.855 608 V CB 1.811 33.660 31.823 0.044 0.000 0.995 608 V HN 0.767 nan 8.190 nan 0.000 0.424 609 E N 3.405 123.721 120.200 0.194 0.000 2.092 609 E HA 0.515 4.865 4.350 0.001 0.000 0.271 609 E C -1.100 175.626 176.600 0.210 0.000 0.919 609 E CA -0.450 56.050 56.400 0.165 0.000 0.760 609 E CB 2.210 32.011 29.700 0.168 0.000 1.106 609 E HN 0.486 nan 8.360 nan 0.000 0.408 610 V N 3.409 123.433 119.914 0.184 0.000 2.370 610 V HA 0.219 4.339 4.120 0.001 0.000 0.279 610 V C 0.215 176.404 176.094 0.158 0.000 1.029 610 V CA -0.559 61.873 62.300 0.221 0.000 0.870 610 V CB 1.597 33.545 31.823 0.208 0.000 0.984 610 V HN 0.651 nan 8.190 nan 0.000 0.451 611 T N 3.944 118.596 114.554 0.163 0.000 2.767 611 T HA 0.536 4.887 4.350 0.001 0.000 0.288 611 T C 0.034 174.814 174.700 0.132 0.000 0.963 611 T CA -0.081 62.096 62.100 0.129 0.000 1.019 611 T CB 1.169 70.111 68.868 0.124 0.000 0.923 611 T HN 0.855 nan 8.240 nan 0.000 0.468 612 T N 3.855 118.479 114.554 0.117 0.000 2.923 612 T HA 0.525 4.876 4.350 0.001 0.000 0.311 612 T C -2.935 171.827 174.700 0.104 0.000 1.183 612 T CA -1.974 60.203 62.100 0.128 0.000 1.020 612 T CB 1.408 70.357 68.868 0.135 0.000 1.165 612 T HN 0.145 nan 8.240 nan 0.000 0.482 613 P HA 0.164 nan 4.420 nan 0.000 0.266 613 P C 0.444 177.728 177.300 -0.028 0.000 1.193 613 P CA 0.139 63.251 63.100 0.020 0.000 0.770 613 P CB 0.409 32.099 31.700 -0.016 0.000 0.836 614 E N 1.407 121.561 120.200 -0.076 0.000 2.216 614 E HA -0.156 4.195 4.350 0.001 0.000 0.192 614 E C 1.427 177.967 176.600 -0.101 0.000 0.988 614 E CA 0.510 56.876 56.400 -0.058 0.000 0.834 614 E CB -0.143 29.530 29.700 -0.044 0.000 0.772 614 E HN 0.585 nan 8.360 nan 0.000 0.479 615 E N 0.603 120.656 120.200 -0.245 0.000 2.274 615 E HA -0.119 4.232 4.350 0.001 0.000 0.194 615 E C 0.679 177.174 176.600 -0.175 0.000 0.996 615 E CA 0.691 56.922 56.400 -0.282 0.000 0.840 615 E CB 0.146 29.574 29.700 -0.453 0.000 0.772 615 E HN 0.485 nan 8.360 nan 0.000 0.491 616 Y N -0.768 119.537 120.300 0.009 0.000 2.493 616 Y HA 0.152 4.702 4.550 0.001 0.000 0.275 616 Y C 2.020 177.928 175.900 0.013 0.000 1.183 616 Y CA -0.512 57.593 58.100 0.009 0.000 1.258 616 Y CB 0.305 38.770 38.460 0.007 0.000 1.108 616 Y HN 0.032 nan 8.280 nan 0.000 0.521 617 M N -0.138 119.532 119.600 0.118 0.000 2.287 617 M HA 0.019 4.500 4.480 0.001 0.000 0.266 617 M C 2.122 178.461 176.300 0.066 0.000 1.079 617 M CA 1.408 56.758 55.300 0.082 0.000 1.146 617 M CB -0.179 32.448 32.600 0.044 0.000 1.374 617 M HN 0.428 nan 8.290 nan 0.000 0.435 618 G N 0.051 108.885 108.800 0.056 0.000 2.422 618 G HA2 -0.239 3.721 3.960 0.001 0.000 0.218 618 G HA3 -0.239 3.721 3.960 0.001 0.000 0.218 618 G C 1.226 176.156 174.900 0.051 0.000 1.140 618 G CA 0.893 46.019 45.100 0.045 0.000 0.775 618 G HN 0.444 nan 8.290 nan 0.000 0.545 619 D N 0.004 120.445 120.400 0.067 0.000 2.224 619 D HA -0.037 4.603 4.640 0.001 0.000 0.205 619 D C 2.639 178.971 176.300 0.054 0.000 0.965 619 D CA 0.380 54.415 54.000 0.058 0.000 0.852 619 D CB 0.279 41.118 40.800 0.066 0.000 0.947 619 D HN 0.215 nan 8.370 nan 0.000 0.494 620 V N 0.737 120.692 119.914 0.069 0.000 2.591 620 V HA -0.117 4.004 4.120 0.001 0.000 0.249 620 V C 2.523 178.658 176.094 0.067 0.000 1.053 620 V CA 0.684 63.028 62.300 0.075 0.000 1.068 620 V CB -0.103 31.774 31.823 0.091 0.000 0.689 620 V HN 0.157 nan 8.190 nan 0.000 0.462 621 I N 1.161 121.762 120.570 0.052 0.000 2.252 621 I HA -0.111 4.059 4.170 0.001 0.000 0.245 621 I C 2.596 178.731 176.117 0.029 0.000 1.102 621 I CA 1.716 63.037 61.300 0.035 0.000 1.385 621 I CB -0.815 37.201 38.000 0.027 0.000 1.064 621 I HN 0.387 nan 8.210 nan 0.000 0.414 622 G N 0.252 109.071 108.800 0.032 0.000 2.408 622 G HA2 -0.322 3.638 3.960 0.001 0.000 0.217 622 G HA3 -0.322 3.638 3.960 0.001 0.000 0.217 622 G C 1.267 176.184 174.900 0.028 0.000 1.150 622 G CA 1.202 46.318 45.100 0.027 0.000 0.776 622 G HN 0.443 nan 8.290 nan 0.000 0.542 623 D N -0.105 120.318 120.400 0.039 0.000 2.178 623 D HA -0.024 4.616 4.640 0.001 0.000 0.202 623 D C 2.388 178.714 176.300 0.044 0.000 0.974 623 D CA 0.447 54.476 54.000 0.048 0.000 0.841 623 D CB -0.159 40.682 40.800 0.068 0.000 0.953 623 D HN 0.326 nan 8.370 nan 0.000 0.478 624 L N -0.168 121.074 121.223 0.031 0.000 2.217 624 L HA 0.016 4.356 4.340 0.001 0.000 0.211 624 L C 1.937 178.800 176.870 -0.013 0.000 1.107 624 L CA 0.851 55.682 54.840 -0.015 0.000 0.783 624 L CB -0.330 41.715 42.059 -0.024 0.000 0.919 624 L HN 0.100 nan 8.230 nan 0.000 0.442 625 N N -0.175 118.528 118.700 0.005 0.000 2.300 625 N HA -0.076 4.664 4.740 0.001 0.000 0.179 625 N C 1.841 177.357 175.510 0.010 0.000 1.016 625 N CA 0.840 53.895 53.050 0.008 0.000 0.876 625 N CB -0.056 38.438 38.487 0.012 0.000 0.979 625 N HN 0.257 nan 8.380 nan 0.000 0.432 626 A N 0.867 123.695 122.820 0.013 0.000 2.119 626 A HA 0.024 4.345 4.320 0.001 0.000 0.217 626 A C 1.780 179.372 177.584 0.013 0.000 1.153 626 A CA 0.801 52.847 52.037 0.016 0.000 0.692 626 A CB -0.053 18.959 19.000 0.020 0.000 0.799 626 A HN 0.173 nan 8.150 nan 0.000 0.458 627 R N -1.518 118.983 120.500 0.001 0.000 2.363 627 R HA 0.257 4.598 4.340 0.001 0.000 0.236 627 R C 0.320 176.612 176.300 -0.013 0.000 0.966 627 R CA 0.014 56.106 56.100 -0.013 0.000 1.100 627 R CB -0.113 30.152 30.300 -0.057 0.000 1.125 627 R HN 0.438 nan 8.270 nan 0.000 0.514 628 R N -1.230 119.271 120.500 0.002 0.000 3.872 628 R HA -0.127 4.214 4.340 0.001 0.000 0.341 628 R C 0.128 176.437 176.300 0.015 0.000 1.172 628 R CA 0.481 56.588 56.100 0.012 0.000 0.901 628 R CB -1.678 28.631 30.300 0.016 0.000 1.422 628 R HN 0.438 nan 8.270 nan 0.000 0.523 629 G N 0.045 108.848 108.800 0.004 0.000 2.539 629 G HA2 0.277 4.237 3.960 0.001 0.000 0.258 629 G HA3 0.277 4.237 3.960 0.001 0.000 0.258 629 G C -0.761 174.163 174.900 0.039 0.000 1.202 629 G CA -0.329 44.780 45.100 0.015 0.000 0.851 629 G HN 0.144 nan 8.290 nan 0.000 0.556 630 Q N 0.096 119.936 119.800 0.067 0.000 2.331 630 Q HA 0.355 4.696 4.340 0.001 0.000 0.267 630 Q C -0.988 175.002 176.000 -0.016 0.000 1.006 630 Q CA -0.835 54.998 55.803 0.050 0.000 0.818 630 Q CB 1.754 30.562 28.738 0.117 0.000 1.276 630 Q HN 0.338 nan 8.270 nan 0.000 0.450 631 I N 4.197 124.750 120.570 -0.029 0.000 2.496 631 I HA -0.027 4.144 4.170 0.001 0.000 0.285 631 I C 0.743 176.804 176.117 -0.092 0.000 1.080 631 I CA 0.614 61.879 61.300 -0.058 0.000 1.404 631 I CB 1.077 39.060 38.000 -0.029 0.000 1.403 631 I HN 0.756 nan 8.210 nan 0.000 0.539 632 L N 5.110 126.246 121.223 -0.145 0.000 2.388 632 L HA 0.509 4.849 4.340 0.001 0.000 0.209 632 L C 0.860 177.669 176.870 -0.102 0.000 1.061 632 L CA 0.209 54.947 54.840 -0.171 0.000 0.834 632 L CB -0.249 41.627 42.059 -0.305 0.000 1.029 632 L HN 0.782 nan 8.230 nan 0.000 0.473 633 G N 0.674 109.427 108.800 -0.079 0.000 2.368 633 G HA2 0.371 4.332 3.960 0.001 0.000 0.301 633 G HA3 0.371 4.332 3.960 0.001 0.000 0.301 633 G C -1.286 173.594 174.900 -0.033 0.000 1.640 633 G CA -0.774 44.298 45.100 -0.048 0.000 0.941 633 G HN -0.015 nan 8.290 nan 0.000 0.695 634 M N 0.018 119.608 119.600 -0.017 0.000 2.383 634 M HA 0.920 5.401 4.480 0.001 0.000 0.325 634 M C -0.666 175.633 176.300 -0.002 0.000 1.092 634 M CA -0.783 54.515 55.300 -0.004 0.000 0.961 634 M CB 2.430 35.033 32.600 0.006 0.000 1.672 634 M HN 0.308 nan 8.290 nan 0.000 0.438 635 E N 2.795 122.995 120.200 0.001 0.000 2.263 635 E HA 0.662 5.012 4.350 0.001 0.000 0.264 635 E C -2.683 173.923 176.600 0.011 0.000 0.923 635 E CA -1.587 54.815 56.400 0.002 0.000 0.802 635 E CB 2.192 31.890 29.700 -0.004 0.000 1.228 635 E HN 0.468 nan 8.360 nan 0.000 0.417 636 P HA 0.302 nan 4.420 nan 0.000 0.286 636 P C -1.104 176.210 177.300 0.023 0.000 1.261 636 P CA -0.515 62.597 63.100 0.021 0.000 0.821 636 P CB 0.861 32.573 31.700 0.019 0.000 1.013 637 R N 1.715 122.236 120.500 0.035 0.000 2.545 637 R HA 0.483 4.823 4.340 0.001 0.000 0.289 637 R C 0.424 176.767 176.300 0.071 0.000 1.327 637 R CA 0.097 56.220 56.100 0.039 0.000 1.040 637 R CB 0.488 30.804 30.300 0.027 0.000 1.176 637 R HN 0.907 nan 8.270 nan 0.000 0.518 638 G N 3.353 112.199 108.800 0.077 0.000 2.509 638 G HA2 -0.392 3.568 3.960 0.001 0.000 0.259 638 G HA3 -0.392 3.568 3.960 0.001 0.000 0.259 638 G C 0.263 175.213 174.900 0.085 0.000 1.169 638 G CA 0.330 45.497 45.100 0.112 0.000 0.953 638 G HN 0.677 nan 8.290 nan 0.000 0.563 639 N N 1.939 120.692 118.700 0.088 0.000 2.322 639 N HA 0.513 5.254 4.740 0.001 0.000 0.194 639 N C 0.823 176.361 175.510 0.046 0.000 1.126 639 N CA 1.467 54.547 53.050 0.051 0.000 0.845 639 N CB -0.119 38.387 38.487 0.031 0.000 0.976 639 N HN 1.303 nan 8.380 nan 0.000 0.475 640 A N -0.041 122.820 122.820 0.069 0.000 2.517 640 A HA 0.676 4.996 4.320 0.001 0.000 0.280 640 A C -0.573 177.042 177.584 0.053 0.000 1.353 640 A CA -0.322 51.756 52.037 0.067 0.000 0.907 640 A CB 0.545 19.604 19.000 0.098 0.000 1.495 640 A HN 0.255 nan 8.150 nan 0.000 0.506 641 Q N -1.101 118.732 119.800 0.057 0.000 2.280 641 Q HA 0.498 4.838 4.340 0.001 0.000 0.259 641 Q C -1.977 174.056 176.000 0.054 0.000 0.964 641 Q CA -0.187 55.643 55.803 0.046 0.000 0.844 641 Q CB 2.068 30.829 28.738 0.037 0.000 1.334 641 Q HN 0.480 nan 8.270 nan 0.000 0.423 642 V N 5.672 125.612 119.914 0.044 0.000 2.318 642 V HA 0.440 4.560 4.120 0.001 0.000 0.271 642 V C 0.016 176.133 176.094 0.038 0.000 1.030 642 V CA -0.406 61.923 62.300 0.048 0.000 0.844 642 V CB 0.714 32.558 31.823 0.035 0.000 1.015 642 V HN 0.724 nan 8.190 nan 0.000 0.460 643 I N 5.838 126.439 120.570 0.051 0.000 2.352 643 I HA 0.384 4.555 4.170 0.001 0.000 0.290 643 I C 0.595 176.727 176.117 0.024 0.000 1.036 643 I CA -0.118 61.202 61.300 0.032 0.000 1.336 643 I CB 0.725 38.750 38.000 0.042 0.000 1.407 643 I HN 0.499 nan 8.210 nan 0.000 0.497 644 R N 5.120 125.612 120.500 -0.014 0.000 2.368 644 R HA 0.858 5.199 4.340 0.001 0.000 0.302 644 R C -0.725 175.511 176.300 -0.107 0.000 1.002 644 R CA -0.460 55.613 56.100 -0.046 0.000 0.929 644 R CB 1.777 32.033 30.300 -0.073 0.000 1.073 644 R HN 0.763 nan 8.270 nan 0.000 0.464 645 A N 2.275 125.016 122.820 -0.132 0.000 2.608 645 A HA 0.571 4.892 4.320 0.001 0.000 0.292 645 A C -1.742 175.759 177.584 -0.138 0.000 1.066 645 A CA -0.771 51.163 52.037 -0.170 0.000 0.676 645 A CB 0.887 19.843 19.000 -0.074 0.000 1.277 645 A HN 0.449 nan 8.150 nan 0.000 0.413 646 F N 0.632 120.572 119.950 -0.017 0.000 2.404 646 F HA 0.622 5.149 4.527 0.001 0.000 0.345 646 F C 0.484 176.240 175.800 -0.073 0.000 1.110 646 F CA -0.756 57.221 58.000 -0.040 0.000 1.130 646 F CB 1.835 40.835 39.000 -0.001 0.000 1.129 646 F HN 0.544 nan 8.300 nan 0.000 0.500 647 V N 5.023 124.990 119.914 0.088 0.000 2.888 647 V HA 0.612 4.733 4.120 0.001 0.000 0.309 647 V C -2.752 173.292 176.094 -0.083 0.000 1.114 647 V CA -2.737 59.548 62.300 -0.026 0.000 0.940 647 V CB 2.574 34.327 31.823 -0.117 0.000 1.021 647 V HN 0.432 nan 8.190 nan 0.000 0.426 648 P HA 0.071 nan 4.420 nan 0.000 0.261 648 P C 0.666 177.888 177.300 -0.130 0.000 1.183 648 P CA 0.203 63.244 63.100 -0.099 0.000 0.761 648 P CB 0.637 32.316 31.700 -0.036 0.000 0.785 649 L N 5.142 126.262 121.223 -0.173 0.000 2.187 649 L HA -0.218 4.122 4.340 0.001 0.000 0.213 649 L C 2.033 178.739 176.870 -0.273 0.000 1.100 649 L CA 2.216 56.910 54.840 -0.244 0.000 0.765 649 L CB -1.166 40.742 42.059 -0.252 0.000 0.904 649 L HN 0.404 nan 8.230 nan 0.000 0.437 650 A N -1.178 121.581 122.820 -0.101 0.000 2.015 650 A HA -0.121 4.200 4.320 0.001 0.000 0.219 650 A C 1.993 179.672 177.584 0.158 0.000 1.163 650 A CA 1.432 53.535 52.037 0.110 0.000 0.646 650 A CB -0.413 18.707 19.000 0.199 0.000 0.806 650 A HN 0.525 nan 8.150 nan 0.000 0.448 651 E N -0.829 119.390 120.200 0.031 0.000 2.489 651 E HA 0.079 4.430 4.350 0.001 0.000 0.193 651 E C 0.755 177.334 176.600 -0.035 0.000 1.057 651 E CA 0.190 56.606 56.400 0.026 0.000 0.866 651 E CB 0.149 29.843 29.700 -0.010 0.000 0.916 651 E HN 0.477 nan 8.360 nan 0.000 0.500 652 M N -0.148 119.370 119.600 -0.136 0.000 2.383 652 M HA 0.172 4.653 4.480 0.001 0.000 0.247 652 M C -0.130 176.100 176.300 -0.117 0.000 1.117 652 M CA -0.212 54.962 55.300 -0.209 0.000 0.995 652 M CB -0.291 32.132 32.600 -0.296 0.000 1.480 652 M HN -0.120 nan 8.290 nan 0.000 0.485 653 F N 1.173 121.137 119.950 0.023 0.000 2.495 653 F HA 0.398 4.926 4.527 0.001 0.000 0.365 653 F C 1.727 177.562 175.800 0.059 0.000 1.090 653 F CA 0.936 58.961 58.000 0.042 0.000 1.235 653 F CB 0.325 39.341 39.000 0.026 0.000 1.119 653 F HN 0.541 nan 8.300 nan 0.000 0.562 654 G N 2.742 111.704 108.800 0.270 0.000 2.179 654 G HA2 -0.411 3.550 3.960 0.001 0.000 0.257 654 G HA3 -0.411 3.550 3.960 0.001 0.000 0.257 654 G C 0.836 175.802 174.900 0.111 0.000 1.010 654 G CA 0.618 45.815 45.100 0.162 0.000 0.736 654 G HN 0.772 nan 8.290 nan 0.000 0.513 655 Y N 0.680 120.956 120.300 -0.041 0.000 2.200 655 Y HA 0.112 4.663 4.550 0.001 0.000 0.290 655 Y C 2.744 178.535 175.900 -0.181 0.000 1.137 655 Y CA 2.147 60.134 58.100 -0.189 0.000 1.163 655 Y CB -0.551 37.656 38.460 -0.421 0.000 0.988 655 Y HN 0.462 nan 8.280 nan 0.000 0.518 656 A N -0.517 122.256 122.820 -0.078 0.000 1.940 656 A HA -0.232 4.088 4.320 0.001 0.000 0.219 656 A C 2.266 179.788 177.584 -0.103 0.000 1.176 656 A CA 2.625 54.659 52.037 -0.005 0.000 0.631 656 A CB -1.401 17.743 19.000 0.241 0.000 0.814 656 A HN 0.600 nan 8.150 nan 0.000 0.446 657 T N -1.916 112.593 114.554 -0.074 0.000 2.851 657 T HA -0.102 4.248 4.350 0.001 0.000 0.262 657 T C 1.343 175.961 174.700 -0.137 0.000 1.043 657 T CA 1.207 63.264 62.100 -0.072 0.000 1.140 657 T CB -0.470 68.383 68.868 -0.024 0.000 0.872 657 T HN 0.397 nan 8.240 nan 0.000 0.446 658 D N 1.297 121.590 120.400 -0.179 0.000 2.178 658 D HA -0.022 4.619 4.640 0.001 0.000 0.201 658 D C 2.063 178.185 176.300 -0.297 0.000 0.980 658 D CA 0.427 54.313 54.000 -0.189 0.000 0.842 658 D CB -0.298 40.433 40.800 -0.115 0.000 0.948 658 D HN 0.250 nan 8.370 nan 0.000 0.472 659 L N 1.309 122.218 121.223 -0.524 0.000 2.072 659 L HA -0.110 4.230 4.340 0.001 0.000 0.205 659 L C 2.448 179.165 176.870 -0.255 0.000 1.079 659 L CA 1.250 55.785 54.840 -0.508 0.000 0.752 659 L CB -0.214 41.373 42.059 -0.787 0.000 0.906 659 L HN 0.005 nan 8.230 nan 0.000 0.436 660 R N -0.693 119.690 120.500 -0.195 0.000 2.152 660 R HA -0.136 4.204 4.340 0.001 0.000 0.232 660 R C 2.271 178.490 176.300 -0.136 0.000 1.117 660 R CA 1.670 57.700 56.100 -0.118 0.000 0.981 660 R CB -0.726 29.536 30.300 -0.063 0.000 0.870 660 R HN 0.272 nan 8.270 nan 0.000 0.451 661 S N 0.484 116.099 115.700 -0.143 0.000 2.387 661 S HA -0.037 4.433 4.470 0.001 0.000 0.226 661 S C 1.374 175.872 174.600 -0.172 0.000 1.026 661 S CA 0.918 59.039 58.200 -0.131 0.000 0.972 661 S CB 0.018 63.157 63.200 -0.101 0.000 0.814 661 S HN 0.536 nan 8.310 nan 0.000 0.477 662 K N 0.659 120.949 120.400 -0.183 0.000 2.404 662 K HA 0.119 4.439 4.320 0.001 0.000 0.194 662 K C 0.850 177.248 176.600 -0.338 0.000 1.023 662 K CA 0.830 56.996 56.287 -0.201 0.000 1.094 662 K CB 0.353 32.786 32.500 -0.112 0.000 0.841 662 K HN 0.574 nan 8.250 nan 0.000 0.523 663 T N -2.727 111.600 114.554 -0.379 0.000 3.170 663 T HA 0.078 4.429 4.350 0.001 0.000 0.288 663 T C 0.288 174.660 174.700 -0.546 0.000 0.992 663 T CA -0.487 61.318 62.100 -0.491 0.000 0.909 663 T CB 0.190 69.010 68.868 -0.080 0.000 1.133 663 T HN 0.061 nan 8.240 nan 0.000 0.530 664 Q N 0.606 120.123 119.800 -0.473 0.000 2.461 664 Q HA -0.254 4.087 4.340 0.001 0.000 0.273 664 Q C 1.169 177.110 176.000 -0.099 0.000 1.163 664 Q CA 0.858 56.519 55.803 -0.238 0.000 0.929 664 Q CB -2.027 26.604 28.738 -0.179 0.000 1.334 664 Q HN 1.200 nan 8.270 nan 0.000 0.499 665 G N -0.614 108.131 108.800 -0.092 0.000 2.176 665 G HA2 -0.347 3.614 3.960 0.001 0.000 0.253 665 G HA3 -0.347 3.614 3.960 0.001 0.000 0.253 665 G C 0.612 175.521 174.900 0.016 0.000 0.979 665 G CA 0.486 45.568 45.100 -0.031 0.000 0.641 665 G HN 0.442 nan 8.290 nan 0.000 0.530 666 R N 0.417 120.939 120.500 0.037 0.000 2.290 666 R HA 0.317 4.657 4.340 0.001 0.000 0.197 666 R C 1.809 178.174 176.300 0.108 0.000 0.913 666 R CA 0.403 56.558 56.100 0.091 0.000 1.040 666 R CB 0.290 30.676 30.300 0.143 0.000 0.992 666 R HN 0.395 nan 8.270 nan 0.000 0.500 667 G N 0.567 109.418 108.800 0.085 0.000 2.599 667 G HA2 0.304 4.265 3.960 0.001 0.000 0.264 667 G HA3 0.304 4.265 3.960 0.001 0.000 0.264 667 G C -0.401 174.573 174.900 0.123 0.000 1.200 667 G CA -0.136 45.023 45.100 0.099 0.000 0.896 667 G HN 0.203 nan 8.290 nan 0.000 0.536 668 S N -0.977 114.825 115.700 0.170 0.000 2.547 668 S HA 0.754 5.224 4.470 0.001 0.000 0.270 668 S C -1.005 173.791 174.600 0.327 0.000 1.150 668 S CA -0.863 57.468 58.200 0.219 0.000 0.850 668 S CB 1.656 64.949 63.200 0.155 0.000 1.118 668 S HN 1.681 nan 8.310 nan 0.000 0.461 669 F N 0.431 120.432 119.950 0.084 0.000 2.664 669 F HA 0.911 5.438 4.527 0.000 0.000 0.317 669 F C -1.223 174.603 175.800 0.042 0.000 1.108 669 F CA -1.005 57.055 58.000 0.100 0.000 0.957 669 F CB 1.152 40.274 39.000 0.202 0.000 1.365 669 F HN 0.837 nan 8.300 nan 0.000 0.475 670 V N 0.608 120.418 119.914 -0.172 0.000 2.925 670 V HA 0.785 4.905 4.120 0.001 0.000 0.311 670 V C -1.241 174.629 176.094 -0.374 0.000 1.104 670 V CA -0.939 61.103 62.300 -0.430 0.000 0.954 670 V CB 1.807 33.495 31.823 -0.224 0.000 1.022 670 V HN 1.207 nan 8.190 nan 0.000 0.427 671 M N 3.983 123.177 119.600 -0.676 0.000 2.271 671 M HA 0.752 5.233 4.480 0.001 0.000 0.285 671 M C -2.391 173.545 176.300 -0.607 0.000 1.059 671 M CA -0.209 54.855 55.300 -0.392 0.000 0.940 671 M CB 1.858 34.405 32.600 -0.088 0.000 1.636 671 M HN 0.762 nan 8.290 nan 0.000 0.460 672 F N 3.636 123.619 119.950 0.055 0.000 2.551 672 F HA 0.506 5.034 4.527 0.001 0.000 0.316 672 F C -0.506 175.338 175.800 0.073 0.000 1.089 672 F CA -0.770 57.272 58.000 0.071 0.000 0.915 672 F CB 1.325 40.366 39.000 0.068 0.000 1.186 672 F HN 0.449 nan 8.300 nan 0.000 0.456 673 F N 2.819 122.854 119.950 0.142 0.000 2.529 673 F HA 0.118 4.646 4.527 0.001 0.000 0.365 673 F C 0.786 176.614 175.800 0.048 0.000 1.102 673 F CA 0.500 58.511 58.000 0.019 0.000 1.271 673 F CB 0.488 39.481 39.000 -0.012 0.000 1.120 673 F HN 0.614 nan 8.300 nan 0.000 0.579 674 D N 2.216 122.014 120.400 -1.003 0.000 3.099 674 D HA 0.028 4.668 4.640 0.001 0.000 0.291 674 D C -0.356 175.310 176.300 -1.056 0.000 1.209 674 D CA 0.661 54.205 54.000 -0.761 0.000 1.032 674 D CB 0.426 41.029 40.800 -0.329 0.000 1.324 674 D HN 0.744 nan 8.370 nan 0.000 0.440 675 H N -2.434 115.916 119.070 -1.200 0.000 2.967 675 H HA 0.231 4.787 4.556 0.001 0.000 0.318 675 H C -1.687 173.450 175.328 -0.318 0.000 1.375 675 H CA -0.689 54.982 56.048 -0.628 0.000 1.132 675 H CB 0.125 29.674 29.762 -0.354 0.000 1.848 675 H HN -0.122 nan 8.280 nan 0.000 0.524 676 Y N 0.565 120.967 120.300 0.169 0.000 2.334 676 Y HA 0.379 4.929 4.550 0.001 0.000 0.328 676 Y C 0.493 176.506 175.900 0.189 0.000 1.130 676 Y CA 0.042 58.240 58.100 0.164 0.000 1.163 676 Y CB 2.022 40.594 38.460 0.187 0.000 1.207 676 Y HN 0.638 nan 8.280 nan 0.000 0.471 677 Q N 1.021 120.984 119.800 0.272 0.000 2.456 677 Q HA 0.365 4.706 4.340 0.001 0.000 0.284 677 Q C -1.647 174.451 176.000 0.163 0.000 1.061 677 Q CA -1.038 54.886 55.803 0.201 0.000 0.799 677 Q CB 1.696 30.532 28.738 0.162 0.000 1.445 677 Q HN 0.566 nan 8.270 nan 0.000 0.411 678 E N 0.840 121.109 120.200 0.115 0.000 2.299 678 E HA 0.178 4.529 4.350 0.001 0.000 0.272 678 E C -0.611 176.032 176.600 0.072 0.000 1.043 678 E CA -0.185 56.267 56.400 0.087 0.000 0.895 678 E CB 0.703 30.439 29.700 0.060 0.000 1.011 678 E HN 0.407 nan 8.360 nan 0.000 0.432 679 V N 1.920 121.874 119.914 0.067 0.000 2.843 679 V HA 0.305 4.425 4.120 0.001 0.000 0.305 679 V C -2.122 173.988 176.094 0.028 0.000 1.065 679 V CA -1.849 60.479 62.300 0.046 0.000 1.116 679 V CB 0.243 32.080 31.823 0.023 0.000 0.968 679 V HN 0.487 nan 8.190 nan 0.000 0.487 680 P HA 0.199 nan 4.420 nan 0.000 0.271 680 P C 0.687 177.991 177.300 0.007 0.000 1.216 680 P CA -0.501 62.609 63.100 0.017 0.000 0.776 680 P CB 0.515 32.226 31.700 0.019 0.000 0.881 681 K N 3.682 124.085 120.400 0.005 0.000 2.281 681 K HA -0.258 4.062 4.320 0.001 0.000 0.203 681 K C 1.573 178.170 176.600 -0.005 0.000 1.046 681 K CA 1.697 57.983 56.287 -0.002 0.000 0.938 681 K CB -0.688 31.813 32.500 0.002 0.000 0.737 681 K HN 0.492 nan 8.250 nan 0.000 0.458 682 Q N 1.299 121.099 119.800 -0.001 0.000 2.124 682 Q HA -0.115 4.226 4.340 0.001 0.000 0.202 682 Q C 1.976 177.972 176.000 -0.007 0.000 0.977 682 Q CA 1.723 57.526 55.803 -0.001 0.000 0.850 682 Q CB 0.098 28.839 28.738 0.005 0.000 0.901 682 Q HN 0.219 nan 8.270 nan 0.000 0.429 683 V N 0.460 120.368 119.914 -0.009 0.000 2.453 683 V HA -0.223 3.897 4.120 0.001 0.000 0.247 683 V C 2.281 178.342 176.094 -0.055 0.000 1.048 683 V CA 1.822 64.109 62.300 -0.022 0.000 1.049 683 V CB -0.786 31.032 31.823 -0.008 0.000 0.672 683 V HN 0.414 nan 8.190 nan 0.000 0.457 684 Q N 0.472 120.241 119.800 -0.051 0.000 2.096 684 Q HA -0.311 4.030 4.340 0.001 0.000 0.208 684 Q C 2.209 178.174 176.000 -0.059 0.000 0.993 684 Q CA 2.614 58.377 55.803 -0.066 0.000 0.862 684 Q CB -0.130 28.585 28.738 -0.038 0.000 0.915 684 Q HN 0.745 nan 8.270 nan 0.000 0.416 685 E N -0.201 119.977 120.200 -0.036 0.000 2.072 685 E HA -0.160 4.191 4.350 0.001 0.000 0.191 685 E C 1.891 178.474 176.600 -0.029 0.000 0.985 685 E CA 1.176 57.560 56.400 -0.026 0.000 0.801 685 E CB 0.034 29.725 29.700 -0.014 0.000 0.750 685 E HN 0.234 nan 8.360 nan 0.000 0.452 686 K N 0.388 120.770 120.400 -0.031 0.000 2.152 686 K HA -0.121 4.200 4.320 0.001 0.000 0.206 686 K C 1.847 178.423 176.600 -0.039 0.000 1.048 686 K CA 0.921 57.192 56.287 -0.027 0.000 0.933 686 K CB -0.046 32.443 32.500 -0.018 0.000 0.721 686 K HN 0.149 nan 8.250 nan 0.000 0.447 687 L N 0.564 121.740 121.223 -0.078 0.000 2.418 687 L HA 0.046 4.386 4.340 0.001 0.000 0.218 687 L C 0.424 177.260 176.870 -0.057 0.000 1.125 687 L CA -0.199 54.574 54.840 -0.112 0.000 0.835 687 L CB -0.045 41.848 42.059 -0.277 0.000 0.953 687 L HN 0.042 nan 8.230 nan 0.000 0.454 688 I N 0.973 121.522 120.570 -0.035 0.000 2.575 688 I HA 0.383 4.553 4.170 0.001 0.000 0.285 688 I C 0.479 176.599 176.117 0.005 0.000 1.085 688 I CA 0.857 62.154 61.300 -0.004 0.000 1.403 688 I CB 0.843 38.841 38.000 -0.004 0.000 1.409 688 I HN 0.032 nan 8.210 nan 0.000 0.557 689 K N 0.000 120.411 120.400 0.018 0.000 2.780 689 K HA 0.000 4.320 4.320 0.001 0.000 0.191 689 K CA 0.000 56.296 56.287 0.016 0.000 0.838 689 K CB 0.000 32.511 32.500 0.017 0.000 1.064 689 K HN 0.000 nan 8.250 nan 0.000 0.543