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 2ww8_1_A DATA FIRST_RESID 46 DATA SEQUENCE AIGKVVIKET GEGGALLGDA VFELKNNTDG TTVSQRTEAQ TGEAIFSNIK DATA SEQUENCE PGTYTLTEAQ PPVGYKPSTK QWTVEVEKNG RTTVQGEQVE NREEALSDQY DATA SEQUENCE PQTGTYPDVQ TPYQIIKVDG SEKNGQHKAL NPNPYERVIP EGTLSKRIYQ DATA SEQUENCE VNNLDDNQYG IELTVSGKTV YEQKDKSVPL DVVILLDNSN SMSNIRNKNA DATA SEQUENCE RRAERAGEAT RSLIDKITSD SENRVALVTY ASTIFDGTEF TVEKGVADKN DATA SEQUENCE GKRLNDSLFW NYDQTSFTTN TKDYSYLKLT NDKNDIVELK NKVPTEAEDH DATA SEQUENCE DGNRLMYQFG ATFTQKALMK ADEILTQQAR QNSQKVIFHI TDGVPTMSYP DATA SEQUENCE INFNHATFAP SYQNQLNAFF SKSPNKDGIL LSDFITQATS GEHTIVRGDG DATA SEQUENCE QSYQMFTDKT VYEKGAPAAF PVKPEKYSEM KAAGYAVIGD PINGGYIWLN DATA SEQUENCE WRESILAYPF NSNTAKITNH GDPTRWYYNG NIAPDGYDVF TVGIGINGDP DATA SEQUENCE GTDEATATSF MQSISSKPEN YTNVTDTTKI LEQLNRYFHT IVTEKKSIEN DATA SEQUENCE GTITDPMGEL IDLQLGTDGR FDPADYTLTA NDGSRLENGQ AVGGPQNDGG DATA SEQUENCE LLKNAKVLYD TTEKRIRVTG LYLGTDEKVT LTYNVRLNDE FVSNKFYDTN DATA SEQUENCE GRTTLHPKEV EQNTVRDFPI PKIRDVRKYP EITISKEKKL GDIEFIKVNK DATA SEQUENCE NDKKPLRGAV FSLQKQHPDY PDIYGAIDQN GTYQNVRTGE DGKLTFKNLS DATA SEQUENCE DGKYRLFENS EPAGYKPVQN KPIVAFQIVN GEVRDVTSIV PQDIPAGYEF DATA SEQUENCE TNDKHYITNE PIPPK 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 46 A HA 0.000 nan 4.320 nan 0.000 0.244 46 A C 0.000 177.585 177.584 0.001 0.000 1.274 46 A CA 0.000 52.045 52.037 0.014 0.000 0.836 46 A CB 0.000 19.008 19.000 0.013 0.000 0.831 47 I N -0.701 119.866 120.570 -0.005 0.000 4.541 47 I HA 0.315 4.488 4.170 0.006 0.000 0.337 47 I C 0.845 176.947 176.117 -0.025 0.000 1.338 47 I CA 0.408 61.701 61.300 -0.011 0.000 1.244 47 I CB 0.447 38.446 38.000 -0.002 0.000 1.417 47 I HN 0.287 nan 8.210 nan 0.000 0.501 48 G N 2.274 111.050 108.800 -0.041 0.000 2.554 48 G HA2 0.121 4.085 3.960 0.006 0.000 0.238 48 G HA3 0.121 4.085 3.960 0.006 0.000 0.238 48 G C -0.573 174.279 174.900 -0.080 0.000 1.259 48 G CA 0.019 45.077 45.100 -0.070 0.000 0.843 48 G HN 0.317 nan 8.290 nan 0.000 0.582 49 K N -0.308 120.046 120.400 -0.076 0.000 2.557 49 K HA 0.508 4.831 4.320 0.006 0.000 0.257 49 K C -2.094 174.464 176.600 -0.070 0.000 0.933 49 K CA -0.728 55.506 56.287 -0.088 0.000 0.820 49 K CB 2.621 35.048 32.500 -0.122 0.000 1.330 49 K HN 0.514 nan 8.250 nan 0.000 0.432 50 V N 4.066 123.929 119.914 -0.084 0.000 2.888 50 V HA 0.637 4.761 4.120 0.006 0.000 0.309 50 V C -1.689 174.366 176.094 -0.066 0.000 1.114 50 V CA -0.551 61.711 62.300 -0.062 0.000 0.940 50 V CB 2.241 33.990 31.823 -0.123 0.000 1.021 50 V HN 0.556 nan 8.190 nan 0.000 0.426 51 V N 6.832 126.706 119.914 -0.067 0.000 2.656 51 V HA 0.630 4.754 4.120 0.006 0.000 0.307 51 V C -0.851 175.142 176.094 -0.169 0.000 1.051 51 V CA -0.523 61.712 62.300 -0.107 0.000 0.893 51 V CB 1.900 33.680 31.823 -0.072 0.000 0.999 51 V HN 0.734 nan 8.190 nan 0.000 0.426 52 I N 4.106 124.514 120.570 -0.269 0.000 2.436 52 I HA 0.501 4.674 4.170 0.006 0.000 0.289 52 I C -0.059 175.916 176.117 -0.236 0.000 1.010 52 I CA -0.319 60.745 61.300 -0.392 0.000 1.098 52 I CB 1.666 39.145 38.000 -0.867 0.000 1.266 52 I HN 0.416 nan 8.210 nan 0.000 0.434 53 K N 5.384 125.692 120.400 -0.153 0.000 2.164 53 K HA 0.593 4.916 4.320 0.006 0.000 0.258 53 K C -0.780 175.797 176.600 -0.039 0.000 0.951 53 K CA -0.822 55.422 56.287 -0.070 0.000 0.844 53 K CB 1.801 34.270 32.500 -0.051 0.000 1.099 53 K HN 0.524 nan 8.250 nan 0.000 0.435 54 E N 1.855 122.052 120.200 -0.005 0.000 2.199 54 E HA 0.184 4.537 4.350 0.006 0.000 0.265 54 E C -0.665 175.895 176.600 -0.068 0.000 0.882 54 E CA -0.608 55.786 56.400 -0.011 0.000 0.759 54 E CB 2.070 31.783 29.700 0.021 0.000 1.148 54 E HN 0.641 nan 8.360 nan 0.000 0.412 55 T N -0.501 114.010 114.554 -0.072 0.000 2.950 55 T HA 0.807 5.160 4.350 0.006 0.000 0.288 55 T C 0.414 175.026 174.700 -0.145 0.000 1.035 55 T CA -0.377 61.670 62.100 -0.089 0.000 1.028 55 T CB 2.133 70.981 68.868 -0.033 0.000 1.109 55 T HN 0.494 nan 8.240 nan 0.000 0.514 56 G N -0.121 108.610 108.800 -0.116 0.000 3.433 56 G HA2 0.423 4.387 3.960 0.006 0.000 0.173 56 G HA3 0.423 4.387 3.960 0.006 0.000 0.173 56 G C -0.541 174.429 174.900 0.117 0.000 1.196 56 G CA -0.696 44.391 45.100 -0.021 0.000 1.062 56 G HN 0.730 nan 8.290 nan 0.000 0.699 57 E N 1.366 121.689 120.200 0.205 0.000 3.355 57 E HA 0.180 4.534 4.350 0.006 0.000 0.234 57 E C 1.456 178.104 176.600 0.081 0.000 0.952 57 E CA 1.786 58.272 56.400 0.144 0.000 0.928 57 E CB -0.949 28.832 29.700 0.134 0.000 0.873 57 E HN 1.430 nan 8.360 nan 0.000 0.525 58 G N 2.921 111.764 108.800 0.072 0.000 4.861 58 G HA2 -0.355 3.609 3.960 0.006 0.000 0.226 58 G HA3 -0.355 3.609 3.960 0.006 0.000 0.226 58 G C 0.851 175.775 174.900 0.040 0.000 1.350 58 G CA 0.342 45.471 45.100 0.048 0.000 1.018 58 G HN 1.370 nan 8.290 nan 0.000 0.712 59 G N -0.541 108.278 108.800 0.032 0.000 5.310 59 G HA2 0.654 4.617 3.960 0.006 0.000 0.203 59 G HA3 0.654 4.617 3.960 0.006 0.000 0.203 59 G C 0.185 175.089 174.900 0.007 0.000 0.800 59 G CA 1.260 46.371 45.100 0.018 0.000 0.754 59 G HN 1.818 nan 8.290 nan 0.000 0.308 60 A N 0.274 123.102 122.820 0.012 0.000 2.425 60 A HA 0.688 5.011 4.320 0.006 0.000 0.242 60 A C 0.287 177.859 177.584 -0.021 0.000 1.077 60 A CA 0.089 52.128 52.037 0.004 0.000 0.781 60 A CB 0.429 19.440 19.000 0.019 0.000 1.020 60 A HN 0.447 nan 8.150 nan 0.000 0.494 61 L N 1.145 122.355 121.223 -0.021 0.000 2.349 61 L HA 0.268 4.612 4.340 0.006 0.000 0.275 61 L C -0.550 176.292 176.870 -0.046 0.000 1.115 61 L CA -0.383 54.437 54.840 -0.035 0.000 0.820 61 L CB 0.818 42.864 42.059 -0.021 0.000 1.135 61 L HN 0.505 nan 8.230 nan 0.000 0.445 62 L N 2.675 123.853 121.223 -0.075 0.000 2.307 62 L HA 0.594 4.938 4.340 0.006 0.000 0.284 62 L C 0.568 177.415 176.870 -0.038 0.000 1.023 62 L CA 0.092 54.876 54.840 -0.093 0.000 0.810 62 L CB 1.348 43.280 42.059 -0.211 0.000 1.231 62 L HN 0.578 nan 8.230 nan 0.000 0.423 63 G N 0.435 109.226 108.800 -0.016 0.000 2.502 63 G HA2 0.501 4.464 3.960 0.006 0.000 0.305 63 G HA3 0.501 4.464 3.960 0.006 0.000 0.305 63 G C -0.317 174.588 174.900 0.009 0.000 1.190 63 G CA -0.320 44.781 45.100 0.002 0.000 0.933 63 G HN 0.740 nan 8.290 nan 0.000 0.503 64 D N -2.123 118.285 120.400 0.013 0.000 3.028 64 D HA -0.157 4.487 4.640 0.006 0.000 0.207 64 D C 1.018 177.318 176.300 -0.001 0.000 1.100 64 D CA 1.100 55.105 54.000 0.010 0.000 0.995 64 D CB -1.633 39.175 40.800 0.013 0.000 1.108 64 D HN 0.857 nan 8.370 nan 0.000 0.421 65 A N -0.067 122.755 122.820 0.003 0.000 2.406 65 A HA 0.506 4.830 4.320 0.006 0.000 0.243 65 A C 0.388 177.912 177.584 -0.100 0.000 1.082 65 A CA 0.101 52.099 52.037 -0.065 0.000 0.786 65 A CB 0.963 19.947 19.000 -0.027 0.000 1.029 65 A HN 0.192 nan 8.150 nan 0.000 0.495 66 V N 2.022 121.755 119.914 -0.303 0.000 2.482 66 V HA 0.488 4.611 4.120 0.006 0.000 0.295 66 V C -1.182 174.710 176.094 -0.337 0.000 1.026 66 V CA -0.123 62.067 62.300 -0.183 0.000 0.856 66 V CB 0.977 32.753 31.823 -0.078 0.000 1.001 66 V HN 0.727 nan 8.190 nan 0.000 0.424 67 F N 2.277 122.310 119.950 0.137 0.000 2.538 67 F HA 0.647 5.176 4.527 0.005 0.000 0.325 67 F C 0.508 176.510 175.800 0.336 0.000 1.066 67 F CA -0.678 57.469 58.000 0.246 0.000 0.946 67 F CB 1.925 41.131 39.000 0.343 0.000 1.199 67 F HN 0.351 nan 8.300 nan 0.000 0.473 68 E N 2.186 122.660 120.200 0.456 0.000 2.224 68 E HA 0.450 4.803 4.350 0.006 0.000 0.265 68 E C -1.688 174.991 176.600 0.132 0.000 0.878 68 E CA -0.979 55.606 56.400 0.307 0.000 0.759 68 E CB 2.985 32.800 29.700 0.191 0.000 1.164 68 E HN 0.316 nan 8.360 nan 0.000 0.414 69 L N 3.935 125.175 121.223 0.028 0.000 2.298 69 L HA 0.358 4.701 4.340 0.006 0.000 0.284 69 L C -1.086 175.846 176.870 0.103 0.000 1.013 69 L CA -0.363 54.405 54.840 -0.121 0.000 0.824 69 L CB 0.703 42.400 42.059 -0.603 0.000 1.221 69 L HN 0.430 nan 8.230 nan 0.000 0.418 70 K N 2.898 123.375 120.400 0.128 0.000 2.397 70 K HA 0.446 4.769 4.320 0.006 0.000 0.253 70 K C -0.691 175.895 176.600 -0.024 0.000 0.932 70 K CA -0.674 55.663 56.287 0.083 0.000 0.795 70 K CB 1.348 33.877 32.500 0.048 0.000 1.159 70 K HN 0.443 nan 8.250 nan 0.000 0.424 71 N N 3.115 121.723 118.700 -0.154 0.000 2.438 71 N HA -0.001 4.743 4.740 0.006 0.000 0.267 71 N C -0.504 174.841 175.510 -0.276 0.000 1.222 71 N CA 0.041 52.812 53.050 -0.466 0.000 0.930 71 N CB 0.481 38.741 38.487 -0.379 0.000 1.083 71 N HN 0.604 nan 8.380 nan 0.000 0.476 72 N N 1.539 120.065 118.700 -0.290 0.000 2.626 72 N HA -0.076 4.668 4.740 0.006 0.000 0.193 72 N C 1.149 176.583 175.510 -0.127 0.000 1.213 72 N CA 0.613 53.569 53.050 -0.156 0.000 0.914 72 N CB 0.199 38.616 38.487 -0.116 0.000 0.994 72 N HN 0.659 nan 8.380 nan 0.000 0.447 73 T N -3.982 110.485 114.554 -0.146 0.000 2.989 73 T HA 0.025 4.379 4.350 0.006 0.000 0.250 73 T C 1.084 175.739 174.700 -0.075 0.000 0.981 73 T CA 0.024 62.067 62.100 -0.095 0.000 0.980 73 T CB 0.157 68.973 68.868 -0.087 0.000 1.133 73 T HN 0.066 nan 8.240 nan 0.000 0.489 74 D N 0.857 121.204 120.400 -0.088 0.000 2.423 74 D HA 0.274 4.918 4.640 0.006 0.000 0.208 74 D C 1.869 178.143 176.300 -0.044 0.000 1.068 74 D CA 0.938 54.904 54.000 -0.057 0.000 0.860 74 D CB -0.379 40.392 40.800 -0.048 0.000 0.992 74 D HN 0.606 nan 8.370 nan 0.000 0.504 75 G N 0.169 108.936 108.800 -0.057 0.000 2.304 75 G HA2 -0.318 3.646 3.960 0.006 0.000 0.252 75 G HA3 -0.318 3.646 3.960 0.006 0.000 0.252 75 G C 0.638 175.529 174.900 -0.014 0.000 1.014 75 G CA 0.532 45.612 45.100 -0.033 0.000 0.619 75 G HN 0.514 nan 8.290 nan 0.000 0.525 76 T N 1.189 115.737 114.554 -0.010 0.000 2.860 76 T HA 0.341 4.694 4.350 0.006 0.000 0.295 76 T C 0.444 175.170 174.700 0.042 0.000 1.041 76 T CA 1.558 63.669 62.100 0.018 0.000 1.132 76 T CB 0.893 69.774 68.868 0.023 0.000 1.072 76 T HN 0.860 nan 8.240 nan 0.000 0.504 77 T N 1.474 116.067 114.554 0.066 0.000 2.900 77 T HA 0.645 4.998 4.350 0.006 0.000 0.295 77 T C -1.007 173.767 174.700 0.123 0.000 1.044 77 T CA -0.660 61.497 62.100 0.095 0.000 0.995 77 T CB 1.072 69.989 68.868 0.081 0.000 1.072 77 T HN 0.718 nan 8.240 nan 0.000 0.473 78 V N 1.652 121.672 119.914 0.177 0.000 2.841 78 V HA 0.977 5.101 4.120 0.006 0.000 0.310 78 V C -0.479 175.809 176.094 0.324 0.000 1.090 78 V CA -0.683 61.746 62.300 0.217 0.000 0.930 78 V CB 1.582 33.549 31.823 0.241 0.000 1.014 78 V HN 1.069 nan 8.190 nan 0.000 0.425 79 S N 2.971 118.816 115.700 0.243 0.000 2.536 79 S HA 0.886 5.359 4.470 0.006 0.000 0.298 79 S C -0.842 173.807 174.600 0.081 0.000 1.083 79 S CA -0.565 57.791 58.200 0.260 0.000 0.995 79 S CB 2.172 65.471 63.200 0.164 0.000 1.058 79 S HN 1.212 nan 8.310 nan 0.000 0.488 80 Q N 0.715 120.520 119.800 0.008 0.000 2.421 80 Q HA 0.574 4.918 4.340 0.006 0.000 0.280 80 Q C -1.407 174.565 176.000 -0.046 0.000 1.085 80 Q CA -0.545 55.103 55.803 -0.258 0.000 0.807 80 Q CB 2.163 30.301 28.738 -1.001 0.000 1.405 80 Q HN 0.847 nan 8.270 nan 0.000 0.419 81 R N 0.812 121.274 120.500 -0.063 0.000 2.480 81 R HA 0.505 4.848 4.340 0.006 0.000 0.306 81 R C -0.915 175.390 176.300 0.009 0.000 0.958 81 R CA -0.366 55.739 56.100 0.009 0.000 0.861 81 R CB 1.280 31.572 30.300 -0.013 0.000 1.171 81 R HN 0.823 nan 8.270 nan 0.000 0.445 82 T N 1.416 116.013 114.554 0.072 0.000 2.758 82 T HA 0.022 4.376 4.350 0.006 0.000 0.281 82 T C 0.076 174.776 174.700 0.001 0.000 0.963 82 T CA -0.131 61.997 62.100 0.047 0.000 1.201 82 T CB 0.221 69.146 68.868 0.096 0.000 0.906 82 T HN 0.639 nan 8.240 nan 0.000 0.528 83 E N 2.354 122.538 120.200 -0.027 0.000 2.418 83 E HA 0.385 4.739 4.350 0.006 0.000 0.261 83 E C 1.339 177.927 176.600 -0.020 0.000 1.070 83 E CA 0.206 56.587 56.400 -0.032 0.000 0.931 83 E CB 0.445 30.115 29.700 -0.050 0.000 0.954 83 E HN 0.811 nan 8.360 nan 0.000 0.439 84 A N 2.316 125.126 122.820 -0.018 0.000 1.840 84 A HA -0.227 4.097 4.320 0.006 0.000 0.214 84 A C 1.996 179.575 177.584 -0.010 0.000 1.198 84 A CA 1.509 53.540 52.037 -0.011 0.000 0.608 84 A CB -0.458 18.536 19.000 -0.009 0.000 0.839 84 A HN 0.588 nan 8.150 nan 0.000 0.443 85 Q N -0.092 119.701 119.800 -0.012 0.000 1.965 85 Q HA -0.116 4.228 4.340 0.006 0.000 0.200 85 Q C 2.255 178.249 176.000 -0.010 0.000 0.981 85 Q CA 3.062 58.859 55.803 -0.010 0.000 0.834 85 Q CB -0.956 27.776 28.738 -0.010 0.000 0.900 85 Q HN 0.685 nan 8.270 nan 0.000 0.426 86 T N -2.809 111.736 114.554 -0.014 0.000 3.025 86 T HA 0.024 4.378 4.350 0.006 0.000 0.270 86 T C 1.373 176.063 174.700 -0.015 0.000 1.126 86 T CA 1.028 63.120 62.100 -0.014 0.000 1.105 86 T CB -0.730 68.127 68.868 -0.018 0.000 0.884 86 T HN 0.645 nan 8.240 nan 0.000 0.522 87 G N 0.871 109.661 108.800 -0.015 0.000 2.187 87 G HA2 -0.258 3.706 3.960 0.006 0.000 0.261 87 G HA3 -0.258 3.706 3.960 0.006 0.000 0.261 87 G C -0.269 174.621 174.900 -0.017 0.000 1.000 87 G CA 0.442 45.534 45.100 -0.014 0.000 0.718 87 G HN 0.701 nan 8.290 nan 0.000 0.519 88 E N -0.259 119.923 120.200 -0.029 0.000 2.195 88 E HA 0.665 5.019 4.350 0.006 0.000 0.271 88 E C 0.145 176.705 176.600 -0.067 0.000 0.923 88 E CA -0.251 56.120 56.400 -0.049 0.000 0.790 88 E CB 1.726 31.392 29.700 -0.056 0.000 1.155 88 E HN 0.552 nan 8.360 nan 0.000 0.402 89 A N 3.678 126.442 122.820 -0.093 0.000 2.271 89 A HA 0.535 4.858 4.320 0.006 0.000 0.317 89 A C -0.583 176.867 177.584 -0.223 0.000 1.245 89 A CA -0.510 51.444 52.037 -0.137 0.000 0.857 89 A CB 0.033 19.011 19.000 -0.036 0.000 1.175 89 A HN 0.568 nan 8.150 nan 0.000 0.512 90 I N 2.428 122.825 120.570 -0.288 0.000 2.382 90 I HA 0.331 4.504 4.170 0.006 0.000 0.286 90 I C -1.149 174.741 176.117 -0.378 0.000 1.002 90 I CA -0.208 60.931 61.300 -0.269 0.000 1.135 90 I CB 1.321 39.178 38.000 -0.239 0.000 1.288 90 I HN 0.542 nan 8.210 nan 0.000 0.448 91 F N 4.362 124.204 119.950 -0.180 0.000 2.391 91 F HA 0.406 4.935 4.527 0.003 0.000 0.359 91 F C 0.805 176.502 175.800 -0.173 0.000 1.122 91 F CA -0.042 57.865 58.000 -0.154 0.000 1.120 91 F CB 1.198 40.103 39.000 -0.158 0.000 1.142 91 F HN 0.385 nan 8.300 nan 0.000 0.483 92 S N 1.470 117.165 115.700 -0.009 0.000 2.745 92 S HA 0.304 4.778 4.470 0.006 0.000 0.292 92 S C -0.062 174.526 174.600 -0.021 0.000 1.133 92 S CA -1.007 57.163 58.200 -0.050 0.000 0.998 92 S CB 0.953 64.110 63.200 -0.072 0.000 1.087 92 S HN 0.726 nan 8.310 nan 0.000 0.551 93 N N 0.112 118.794 118.700 -0.031 0.000 2.716 93 N HA -0.165 4.579 4.740 0.006 0.000 0.250 93 N C -1.069 174.437 175.510 -0.007 0.000 1.033 93 N CA 0.469 53.511 53.050 -0.014 0.000 0.727 93 N CB -1.490 36.995 38.487 -0.003 0.000 0.950 93 N HN 0.474 nan 8.380 nan 0.000 0.541 94 I N -0.024 120.519 120.570 -0.046 0.000 2.395 94 I HA 0.131 4.304 4.170 0.006 0.000 0.289 94 I C 0.798 176.900 176.117 -0.025 0.000 1.023 94 I CA -0.422 60.822 61.300 -0.094 0.000 1.350 94 I CB 0.929 38.752 38.000 -0.294 0.000 1.409 94 I HN -0.013 nan 8.210 nan 0.000 0.507 95 K N 6.756 127.206 120.400 0.084 0.000 2.185 95 K HA 0.352 4.675 4.320 0.006 0.000 0.271 95 K C -2.334 174.371 176.600 0.176 0.000 1.013 95 K CA -1.565 54.794 56.287 0.120 0.000 0.943 95 K CB 0.173 32.754 32.500 0.134 0.000 0.998 95 K HN 0.242 nan 8.250 nan 0.000 0.468 96 P HA -0.142 nan 4.420 nan 0.000 0.266 96 P C 0.043 177.438 177.300 0.159 0.000 1.162 96 P CA 0.919 64.084 63.100 0.108 0.000 0.758 96 P CB 0.355 32.090 31.700 0.059 0.000 0.774 97 G N 1.106 110.001 108.800 0.159 0.000 2.315 97 G HA2 0.158 4.122 3.960 0.006 0.000 0.296 97 G HA3 0.158 4.122 3.960 0.006 0.000 0.296 97 G C -1.416 173.577 174.900 0.154 0.000 1.289 97 G CA -0.695 44.460 45.100 0.093 0.000 0.996 97 G HN 0.512 nan 8.290 nan 0.000 0.487 98 T N 0.509 115.036 114.554 -0.045 0.000 2.829 98 T HA 0.715 5.069 4.350 0.006 0.000 0.280 98 T C -1.385 173.222 174.700 -0.154 0.000 0.999 98 T CA -0.114 62.001 62.100 0.025 0.000 0.983 98 T CB 1.352 70.212 68.868 -0.014 0.000 0.968 98 T HN 0.509 nan 8.240 nan 0.000 0.446 99 Y N 0.460 120.747 120.300 -0.020 0.000 2.512 99 Y HA 0.529 5.082 4.550 0.004 0.000 0.348 99 Y C 0.528 176.421 175.900 -0.011 0.000 0.990 99 Y CA -1.083 56.998 58.100 -0.031 0.000 1.033 99 Y CB 1.883 40.301 38.460 -0.070 0.000 1.259 99 Y HN 0.482 nan 8.280 nan 0.000 0.461 100 T N 4.288 118.918 114.554 0.127 0.000 2.771 100 T HA 0.428 4.782 4.350 0.006 0.000 0.281 100 T C -0.867 173.908 174.700 0.125 0.000 0.982 100 T CA -0.604 61.565 62.100 0.114 0.000 0.978 100 T CB 0.652 69.561 68.868 0.068 0.000 0.930 100 T HN 0.394 nan 8.240 nan 0.000 0.447 101 L N 4.811 126.138 121.223 0.172 0.000 2.296 101 L HA 0.622 4.965 4.340 0.006 0.000 0.286 101 L C -0.243 176.874 176.870 0.411 0.000 1.023 101 L CA -0.404 54.557 54.840 0.203 0.000 0.812 101 L CB 1.145 43.286 42.059 0.136 0.000 1.223 101 L HN 0.853 nan 8.230 nan 0.000 0.421 102 T N 0.265 115.043 114.554 0.372 0.000 2.893 102 T HA 0.320 4.674 4.350 0.006 0.000 0.293 102 T C -0.447 174.494 174.700 0.403 0.000 1.027 102 T CA -0.810 61.511 62.100 0.368 0.000 0.988 102 T CB 2.077 71.053 68.868 0.179 0.000 1.043 102 T HN 0.594 nan 8.240 nan 0.000 0.461 103 E N 1.174 121.583 120.200 0.349 0.000 2.166 103 E HA 0.409 4.762 4.350 0.006 0.000 0.279 103 E C 0.928 177.497 176.600 -0.051 0.000 1.095 103 E CA -0.355 56.023 56.400 -0.037 0.000 0.888 103 E CB 0.690 30.386 29.700 -0.008 0.000 1.041 103 E HN 0.794 nan 8.360 nan 0.000 0.414 104 A N 4.731 127.489 122.820 -0.103 0.000 1.861 104 A HA -0.099 4.224 4.320 0.006 0.000 0.212 104 A C 0.767 178.313 177.584 -0.064 0.000 1.199 104 A CA 0.899 52.911 52.037 -0.040 0.000 0.613 104 A CB 0.026 19.023 19.000 -0.005 0.000 0.846 104 A HN 0.719 nan 8.150 nan 0.000 0.446 105 Q N -0.347 119.383 119.800 -0.115 0.000 2.356 105 Q HA 0.626 4.969 4.340 0.006 0.000 0.270 105 Q C -3.181 172.739 176.000 -0.134 0.000 1.058 105 Q CA -2.418 53.332 55.803 -0.088 0.000 0.802 105 Q CB 2.843 31.553 28.738 -0.048 0.000 1.303 105 Q HN 0.160 nan 8.270 nan 0.000 0.444 106 P HA 0.352 nan 4.420 nan 0.000 0.278 106 P C -2.535 174.772 177.300 0.013 0.000 1.266 106 P CA -1.617 61.465 63.100 -0.030 0.000 0.807 106 P CB -0.081 31.646 31.700 0.047 0.000 1.094 107 P HA -0.001 nan 4.420 nan 0.000 0.270 107 P C -0.409 176.987 177.300 0.160 0.000 1.223 107 P CA -0.092 63.057 63.100 0.082 0.000 0.785 107 P CB -0.032 31.701 31.700 0.055 0.000 0.923 108 V N -1.298 118.694 119.914 0.131 0.000 2.585 108 V HA 0.481 4.604 4.120 0.006 0.000 0.296 108 V C 1.394 177.579 176.094 0.152 0.000 1.035 108 V CA 0.541 62.907 62.300 0.110 0.000 1.084 108 V CB -0.442 31.421 31.823 0.067 0.000 0.953 108 V HN 0.992 nan 8.190 nan 0.000 0.483 109 G N 2.952 111.786 108.800 0.057 0.000 2.259 109 G HA2 -0.217 3.747 3.960 0.006 0.000 0.217 109 G HA3 -0.217 3.747 3.960 0.006 0.000 0.217 109 G C -0.251 174.455 174.900 -0.324 0.000 1.001 109 G CA 0.169 45.197 45.100 -0.119 0.000 0.627 109 G HN 0.873 nan 8.290 nan 0.000 0.501 110 Y N 1.177 121.492 120.300 0.024 0.000 2.409 110 Y HA 0.637 5.191 4.550 0.006 0.000 0.339 110 Y C 0.894 176.810 175.900 0.026 0.000 1.033 110 Y CA -0.883 57.234 58.100 0.029 0.000 1.094 110 Y CB 1.280 39.761 38.460 0.035 0.000 1.210 110 Y HN 0.013 nan 8.280 nan 0.000 0.456 111 K N 4.655 125.141 120.400 0.144 0.000 2.469 111 K HA 0.037 4.360 4.320 0.006 0.000 0.274 111 K C -2.298 174.367 176.600 0.108 0.000 0.983 111 K CA -1.217 55.130 56.287 0.099 0.000 0.974 111 K CB 0.090 32.642 32.500 0.086 0.000 0.913 111 K HN 0.349 nan 8.250 nan 0.000 0.493 112 P HA -0.020 nan 4.420 nan 0.000 0.274 112 P C -0.775 176.567 177.300 0.070 0.000 1.246 112 P CA -0.370 62.766 63.100 0.058 0.000 0.795 112 P CB 0.975 32.694 31.700 0.031 0.000 1.006 113 S N -0.407 115.343 115.700 0.082 0.000 2.499 113 S HA 0.230 4.704 4.470 0.006 0.000 0.279 113 S C 1.117 175.722 174.600 0.008 0.000 1.219 113 S CA -0.296 57.956 58.200 0.086 0.000 1.062 113 S CB -0.315 63.006 63.200 0.201 0.000 0.978 113 S HN 0.494 nan 8.310 nan 0.000 0.489 114 T N 1.695 116.232 114.554 -0.028 0.000 3.148 114 T HA 0.227 4.581 4.350 0.006 0.000 0.253 114 T C 0.445 175.054 174.700 -0.152 0.000 1.134 114 T CA 0.156 62.216 62.100 -0.067 0.000 1.051 114 T CB -0.216 68.623 68.868 -0.048 0.000 0.959 114 T HN 0.515 nan 8.240 nan 0.000 0.525 115 K N 1.387 121.625 120.400 -0.269 0.000 2.221 115 K HA 0.327 4.651 4.320 0.006 0.000 0.258 115 K C -0.801 175.323 176.600 -0.794 0.000 0.944 115 K CA -0.558 55.396 56.287 -0.554 0.000 0.823 115 K CB 1.139 33.218 32.500 -0.703 0.000 1.113 115 K HN 0.170 nan 8.250 nan 0.000 0.431 116 Q N 3.461 122.890 119.800 -0.618 0.000 2.322 116 Q HA 0.274 4.618 4.340 0.006 0.000 0.265 116 Q C -1.058 174.711 176.000 -0.384 0.000 0.985 116 Q CA -0.682 54.895 55.803 -0.377 0.000 0.849 116 Q CB 1.728 30.381 28.738 -0.142 0.000 1.274 116 Q HN 0.484 nan 8.270 nan 0.000 0.449 117 W N 1.659 122.979 121.300 0.034 0.000 2.496 117 W HA 0.297 4.960 4.660 0.005 0.000 0.327 117 W C -0.158 176.367 176.519 0.009 0.000 1.086 117 W CA -0.619 56.736 57.345 0.016 0.000 1.222 117 W CB 1.832 31.295 29.460 0.005 0.000 1.304 117 W HN 0.403 nan 8.180 nan 0.000 0.547 118 T N 2.223 116.907 114.554 0.216 0.000 2.806 118 T HA 0.353 4.706 4.350 0.006 0.000 0.290 118 T C -0.232 174.547 174.700 0.132 0.000 0.966 118 T CA -0.331 61.855 62.100 0.142 0.000 1.060 118 T CB 1.427 70.347 68.868 0.087 0.000 0.927 118 T HN 0.093 nan 8.240 nan 0.000 0.485 119 V N 4.423 124.409 119.914 0.121 0.000 2.357 119 V HA 0.276 4.399 4.120 0.006 0.000 0.281 119 V C -0.073 176.098 176.094 0.128 0.000 1.015 119 V CA -1.036 61.304 62.300 0.068 0.000 0.827 119 V CB 1.107 32.905 31.823 -0.041 0.000 1.018 119 V HN 0.965 nan 8.190 nan 0.000 0.432 120 E N 4.342 124.593 120.200 0.084 0.000 2.200 120 E HA 0.621 4.975 4.350 0.006 0.000 0.283 120 E C -0.980 175.650 176.600 0.049 0.000 1.015 120 E CA -0.676 55.782 56.400 0.097 0.000 0.819 120 E CB 1.907 31.644 29.700 0.061 0.000 1.081 120 E HN 0.298 nan 8.360 nan 0.000 0.397 121 V N 4.020 123.983 119.914 0.082 0.000 2.347 121 V HA 0.140 4.264 4.120 0.006 0.000 0.280 121 V C 0.258 176.377 176.094 0.041 0.000 1.021 121 V CA -0.883 61.433 62.300 0.028 0.000 0.847 121 V CB 0.983 32.799 31.823 -0.011 0.000 0.990 121 V HN 0.722 nan 8.190 nan 0.000 0.444 122 E N 3.467 123.671 120.200 0.006 0.000 2.392 122 E HA 0.164 4.518 4.350 0.006 0.000 0.256 122 E C 0.897 177.499 176.600 0.003 0.000 1.145 122 E CA -0.344 56.056 56.400 0.000 0.000 0.929 122 E CB 1.011 30.696 29.700 -0.026 0.000 0.998 122 E HN 0.496 nan 8.360 nan 0.000 0.442 123 K N 1.149 121.553 120.400 0.006 0.000 2.173 123 K HA -0.206 4.118 4.320 0.006 0.000 0.207 123 K C 1.170 177.773 176.600 0.005 0.000 1.046 123 K CA 1.623 57.916 56.287 0.010 0.000 0.929 123 K CB -0.196 32.312 32.500 0.013 0.000 0.720 123 K HN 0.390 nan 8.250 nan 0.000 0.453 124 N N -0.116 118.576 118.700 -0.013 0.000 2.383 124 N HA 0.006 4.749 4.740 0.006 0.000 0.192 124 N C 0.859 176.340 175.510 -0.047 0.000 1.141 124 N CA 0.825 53.859 53.050 -0.025 0.000 0.851 124 N CB 0.473 38.926 38.487 -0.057 0.000 0.976 124 N HN 0.270 nan 8.380 nan 0.000 0.465 125 G N 0.486 109.264 108.800 -0.036 0.000 2.143 125 G HA2 -0.362 3.602 3.960 0.006 0.000 0.249 125 G HA3 -0.362 3.602 3.960 0.006 0.000 0.249 125 G C 0.002 174.865 174.900 -0.060 0.000 0.981 125 G CA 0.159 45.236 45.100 -0.039 0.000 0.665 125 G HN 0.735 nan 8.290 nan 0.000 0.528 126 R N 1.087 121.537 120.500 -0.082 0.000 2.351 126 R HA 0.507 4.851 4.340 0.006 0.000 0.318 126 R C -0.205 176.062 176.300 -0.056 0.000 1.055 126 R CA 0.565 56.610 56.100 -0.092 0.000 0.968 126 R CB 0.245 30.476 30.300 -0.114 0.000 0.974 126 R HN 0.047 nan 8.270 nan 0.000 0.439 127 T N 4.758 119.284 114.554 -0.046 0.000 2.743 127 T HA 0.321 4.674 4.350 0.006 0.000 0.292 127 T C -0.746 173.934 174.700 -0.033 0.000 0.972 127 T CA -0.408 61.665 62.100 -0.044 0.000 0.967 127 T CB 1.353 70.194 68.868 -0.045 0.000 0.926 127 T HN 0.621 nan 8.240 nan 0.000 0.459 128 T N 2.672 117.211 114.554 -0.026 0.000 2.841 128 T HA 0.458 4.811 4.350 0.006 0.000 0.283 128 T C -0.128 174.569 174.700 -0.004 0.000 1.000 128 T CA -0.609 61.483 62.100 -0.014 0.000 0.977 128 T CB 1.427 70.292 68.868 -0.005 0.000 0.979 128 T HN 0.304 nan 8.240 nan 0.000 0.446 129 V N 4.438 124.352 119.914 -0.001 0.000 2.334 129 V HA 0.230 4.353 4.120 0.006 0.000 0.267 129 V C 0.412 176.546 176.094 0.066 0.000 1.040 129 V CA -0.869 61.446 62.300 0.026 0.000 0.866 129 V CB 0.888 32.703 31.823 -0.014 0.000 1.019 129 V HN 0.764 nan 8.190 nan 0.000 0.468 130 Q N 2.645 122.495 119.800 0.083 0.000 2.330 130 Q HA 0.163 4.506 4.340 0.006 0.000 0.279 130 Q C 1.336 177.384 176.000 0.081 0.000 1.024 130 Q CA 0.947 56.791 55.803 0.069 0.000 0.900 130 Q CB 0.779 29.552 28.738 0.059 0.000 1.221 130 Q HN 1.145 nan 8.270 nan 0.000 0.396 131 G N 2.626 111.459 108.800 0.056 0.000 2.421 131 G HA2 -0.286 3.678 3.960 0.006 0.000 0.300 131 G HA3 -0.286 3.678 3.960 0.006 0.000 0.300 131 G C -0.110 174.838 174.900 0.080 0.000 0.974 131 G CA 1.081 46.213 45.100 0.054 0.000 1.062 131 G HN 0.515 nan 8.290 nan 0.000 0.514 132 E N -1.003 119.248 120.200 0.085 0.000 2.290 132 E HA 0.489 4.843 4.350 0.006 0.000 0.274 132 E C -0.000 176.634 176.600 0.058 0.000 0.889 132 E CA -0.786 55.677 56.400 0.105 0.000 0.760 132 E CB 0.901 30.708 29.700 0.179 0.000 1.206 132 E HN 0.432 nan 8.360 nan 0.000 0.419 133 Q N 3.033 122.865 119.800 0.052 0.000 2.313 133 Q HA 0.480 4.823 4.340 0.006 0.000 0.266 133 Q C -0.690 175.315 176.000 0.007 0.000 0.989 133 Q CA -0.355 55.463 55.803 0.025 0.000 0.890 133 Q CB 0.677 29.431 28.738 0.026 0.000 1.200 133 Q HN 0.386 nan 8.270 nan 0.000 0.396 134 V N 0.032 119.939 119.914 -0.013 0.000 3.188 134 V HA 0.532 4.656 4.120 0.006 0.000 0.305 134 V C -1.125 174.944 176.094 -0.042 0.000 1.232 134 V CA -1.233 61.046 62.300 -0.035 0.000 1.043 134 V CB 2.087 33.882 31.823 -0.047 0.000 1.068 134 V HN 0.792 nan 8.190 nan 0.000 0.439 135 E N 2.140 122.306 120.200 -0.056 0.000 2.249 135 E HA 0.402 4.756 4.350 0.006 0.000 0.280 135 E C -0.910 175.624 176.600 -0.111 0.000 1.016 135 E CA -0.429 55.926 56.400 -0.074 0.000 0.830 135 E CB 1.077 30.732 29.700 -0.075 0.000 1.081 135 E HN 0.701 nan 8.360 nan 0.000 0.395 136 N N 2.557 121.182 118.700 -0.124 0.000 2.434 136 N HA 0.214 4.958 4.740 0.006 0.000 0.272 136 N C -0.098 175.246 175.510 -0.277 0.000 1.040 136 N CA -0.340 52.598 53.050 -0.186 0.000 0.956 136 N CB 1.420 39.833 38.487 -0.124 0.000 1.108 136 N HN 0.170 nan 8.380 nan 0.000 0.481 137 R N 0.968 121.146 120.500 -0.536 0.000 2.532 137 R HA 0.159 4.502 4.340 0.006 0.000 0.295 137 R C -0.259 175.738 176.300 -0.505 0.000 0.968 137 R CA -0.574 55.179 56.100 -0.579 0.000 0.916 137 R CB 0.807 30.637 30.300 -0.783 0.000 1.124 137 R HN 0.368 nan 8.270 nan 0.000 0.463 138 E N 2.049 122.103 120.200 -0.244 0.000 2.558 138 E HA -0.109 4.245 4.350 0.006 0.000 0.255 138 E C -0.514 176.057 176.600 -0.048 0.000 0.968 138 E CA 0.608 56.938 56.400 -0.117 0.000 0.939 138 E CB 0.751 30.416 29.700 -0.058 0.000 0.921 138 E HN 0.385 nan 8.360 nan 0.000 0.477 139 E N 1.031 121.245 120.200 0.023 0.000 2.207 139 E HA 0.500 4.853 4.350 0.006 0.000 0.270 139 E C -1.186 175.455 176.600 0.068 0.000 0.927 139 E CA -0.818 55.657 56.400 0.125 0.000 0.799 139 E CB 1.390 31.199 29.700 0.181 0.000 1.172 139 E HN 0.466 nan 8.360 nan 0.000 0.404 140 A N 3.942 126.801 122.820 0.065 0.000 2.354 140 A HA 0.413 4.737 4.320 0.006 0.000 0.269 140 A C -0.325 177.274 177.584 0.026 0.000 1.109 140 A CA -0.449 51.611 52.037 0.038 0.000 0.800 140 A CB 0.150 19.172 19.000 0.035 0.000 1.045 140 A HN 0.696 nan 8.150 nan 0.000 0.489 141 L N 1.952 123.184 121.223 0.015 0.000 2.417 141 L HA 0.249 4.593 4.340 0.006 0.000 0.268 141 L C 1.306 178.168 176.870 -0.013 0.000 1.158 141 L CA -0.263 54.572 54.840 -0.009 0.000 0.819 141 L CB 1.199 43.256 42.059 -0.004 0.000 1.112 141 L HN 0.965 nan 8.230 nan 0.000 0.458 142 S N -0.258 115.406 115.700 -0.059 0.000 2.600 142 S HA 0.053 4.527 4.470 0.006 0.000 0.265 142 S C 0.284 174.833 174.600 -0.085 0.000 1.325 142 S CA -0.459 57.703 58.200 -0.064 0.000 1.002 142 S CB 1.002 64.148 63.200 -0.089 0.000 0.921 142 S HN 0.702 nan 8.310 nan 0.000 0.554 143 D N -0.528 119.852 120.400 -0.034 0.000 2.395 143 D HA 0.061 4.704 4.640 0.006 0.000 0.226 143 D C -0.247 176.031 176.300 -0.037 0.000 1.146 143 D CA -0.216 53.815 54.000 0.053 0.000 0.830 143 D CB -0.192 40.694 40.800 0.143 0.000 0.958 143 D HN 0.373 nan 8.370 nan 0.000 0.501 144 Q N 0.720 120.374 119.800 -0.242 0.000 2.296 144 Q HA 0.292 4.636 4.340 0.006 0.000 0.257 144 Q C -1.019 174.760 176.000 -0.369 0.000 0.942 144 Q CA -0.268 55.426 55.803 -0.181 0.000 0.939 144 Q CB 1.081 29.765 28.738 -0.090 0.000 1.198 144 Q HN 0.311 nan 8.270 nan 0.000 0.429 145 Y N 2.203 122.572 120.300 0.116 0.000 2.406 145 Y HA 0.362 4.916 4.550 0.007 0.000 0.340 145 Y C -1.843 174.015 175.900 -0.071 0.000 0.975 145 Y CA -2.181 55.938 58.100 0.032 0.000 1.056 145 Y CB 1.553 39.984 38.460 -0.047 0.000 1.210 145 Y HN 0.476 nan 8.280 nan 0.000 0.448 146 P HA 0.165 nan 4.420 nan 0.000 0.274 146 P C -0.615 176.627 177.300 -0.096 0.000 1.231 146 P CA -0.265 62.792 63.100 -0.072 0.000 0.790 146 P CB 1.539 33.164 31.700 -0.124 0.000 0.951 147 Q N -0.199 119.547 119.800 -0.090 0.000 2.350 147 Q HA 0.112 4.455 4.340 0.006 0.000 0.225 147 Q C 0.460 176.381 176.000 -0.132 0.000 0.878 147 Q CA 0.647 56.394 55.803 -0.094 0.000 0.935 147 Q CB 0.695 29.397 28.738 -0.060 0.000 1.099 147 Q HN 0.699 nan 8.270 nan 0.000 0.527 148 T N -2.606 111.840 114.554 -0.181 0.000 2.900 148 T HA 0.696 5.049 4.350 0.006 0.000 0.303 148 T C -0.136 174.301 174.700 -0.439 0.000 1.142 148 T CA -0.595 61.333 62.100 -0.285 0.000 1.007 148 T CB 2.185 70.912 68.868 -0.235 0.000 1.156 148 T HN 0.080 nan 8.240 nan 0.000 0.490 149 G N 0.154 108.417 108.800 -0.895 0.000 2.597 149 G HA2 0.660 4.623 3.960 0.006 0.000 0.317 149 G HA3 0.660 4.623 3.960 0.006 0.000 0.317 149 G C -1.072 173.188 174.900 -1.067 0.000 1.230 149 G CA -0.885 43.554 45.100 -1.103 0.000 0.996 149 G HN 0.878 nan 8.290 nan 0.000 0.490 150 T N 0.365 114.571 114.554 -0.581 0.000 2.840 150 T HA 0.336 4.690 4.350 0.006 0.000 0.287 150 T C -1.219 173.496 174.700 0.024 0.000 0.991 150 T CA -0.167 61.801 62.100 -0.221 0.000 0.964 150 T CB 0.868 69.674 68.868 -0.103 0.000 0.954 150 T HN 0.288 nan 8.240 nan 0.000 0.438 151 Y N 4.020 124.466 120.300 0.242 0.000 2.569 151 Y HA 0.169 4.723 4.550 0.006 0.000 0.332 151 Y C -1.485 174.475 175.900 0.101 0.000 1.120 151 Y CA -1.693 56.529 58.100 0.204 0.000 1.416 151 Y CB 0.318 38.864 38.460 0.143 0.000 1.210 151 Y HN 0.536 nan 8.280 nan 0.000 0.528 152 P HA -0.155 nan 4.420 nan 0.000 0.217 152 P C 0.914 178.278 177.300 0.106 0.000 1.150 152 P CA 1.773 64.957 63.100 0.140 0.000 0.832 152 P CB 0.289 32.058 31.700 0.116 0.000 0.787 153 D N -0.278 120.179 120.400 0.096 0.000 2.104 153 D HA -0.144 4.499 4.640 0.006 0.000 0.194 153 D C 1.488 177.803 176.300 0.024 0.000 0.994 153 D CA 1.864 55.882 54.000 0.029 0.000 0.830 153 D CB -1.257 39.526 40.800 -0.028 0.000 0.959 153 D HN 0.247 nan 8.370 nan 0.000 0.452 154 V N -5.165 114.775 119.914 0.043 0.000 3.346 154 V HA 0.309 4.433 4.120 0.006 0.000 0.309 154 V C 0.132 176.268 176.094 0.070 0.000 1.457 154 V CA -0.456 61.864 62.300 0.034 0.000 1.069 154 V CB 0.112 31.935 31.823 -0.001 0.000 0.944 154 V HN 0.055 nan 8.190 nan 0.000 0.449 155 Q N 1.394 121.261 119.800 0.112 0.000 2.504 155 Q HA -0.141 4.203 4.340 0.006 0.000 0.274 155 Q C 0.459 176.518 176.000 0.098 0.000 1.103 155 Q CA 1.403 57.262 55.803 0.093 0.000 0.962 155 Q CB -2.527 26.242 28.738 0.052 0.000 1.322 155 Q HN 1.078 nan 8.270 nan 0.000 0.500 156 T N -1.772 112.882 114.554 0.167 0.000 2.859 156 T HA 0.728 5.081 4.350 0.006 0.000 0.281 156 T C -2.406 172.386 174.700 0.152 0.000 1.005 156 T CA -1.879 60.313 62.100 0.154 0.000 1.025 156 T CB 2.698 71.671 68.868 0.175 0.000 0.977 156 T HN -0.123 nan 8.240 nan 0.000 0.458 157 P HA 0.270 nan 4.420 nan 0.000 0.275 157 P C -1.312 175.992 177.300 0.006 0.000 1.228 157 P CA -0.321 62.742 63.100 -0.062 0.000 0.786 157 P CB 0.143 31.802 31.700 -0.069 0.000 0.927 158 Y N -1.283 118.932 120.300 -0.142 0.000 2.545 158 Y HA 0.548 5.101 4.550 0.007 0.000 0.348 158 Y C -0.005 175.835 175.900 -0.101 0.000 1.002 158 Y CA -1.531 56.499 58.100 -0.116 0.000 1.039 158 Y CB 0.732 39.057 38.460 -0.224 0.000 1.271 158 Y HN 0.165 nan 8.280 nan 0.000 0.467 159 Q N 2.349 122.212 119.800 0.104 0.000 2.368 159 Q HA 0.400 4.743 4.340 0.006 0.000 0.237 159 Q C -0.856 175.184 176.000 0.065 0.000 0.987 159 Q CA -0.395 55.422 55.803 0.024 0.000 0.896 159 Q CB 1.730 30.481 28.738 0.021 0.000 1.241 159 Q HN 0.627 nan 8.270 nan 0.000 0.485 160 I N 2.521 123.079 120.570 -0.021 0.000 2.499 160 I HA 0.451 4.624 4.170 0.006 0.000 0.288 160 I C -0.063 176.005 176.117 -0.083 0.000 1.048 160 I CA -0.825 60.453 61.300 -0.036 0.000 1.062 160 I CB 1.447 39.380 38.000 -0.113 0.000 1.238 160 I HN 0.605 nan 8.210 nan 0.000 0.426 161 I N 2.050 122.572 120.570 -0.080 0.000 2.785 161 I HA 0.583 4.756 4.170 0.006 0.000 0.302 161 I C -0.285 175.736 176.117 -0.159 0.000 1.069 161 I CA -1.095 60.128 61.300 -0.128 0.000 1.045 161 I CB 2.137 40.086 38.000 -0.085 0.000 1.236 161 I HN 0.339 nan 8.210 nan 0.000 0.429 162 K N 2.792 123.035 120.400 -0.261 0.000 2.448 162 K HA 0.316 4.640 4.320 0.006 0.000 0.278 162 K C -0.761 175.754 176.600 -0.142 0.000 1.009 162 K CA -0.381 55.722 56.287 -0.306 0.000 0.995 162 K CB 1.187 33.218 32.500 -0.782 0.000 0.917 162 K HN 0.390 nan 8.250 nan 0.000 0.481 163 V N 4.179 124.102 119.914 0.014 0.000 2.432 163 V HA 0.016 4.139 4.120 0.006 0.000 0.275 163 V C 0.079 176.268 176.094 0.160 0.000 1.043 163 V CA -0.627 61.714 62.300 0.068 0.000 0.925 163 V CB 1.124 32.995 31.823 0.080 0.000 0.985 163 V HN 0.706 nan 8.190 nan 0.000 0.466 164 D N 3.773 124.234 120.400 0.102 0.000 2.389 164 D HA 0.376 5.020 4.640 0.006 0.000 0.247 164 D C 1.163 177.516 176.300 0.089 0.000 1.128 164 D CA 1.358 55.428 54.000 0.118 0.000 0.884 164 D CB 1.521 42.361 40.800 0.067 0.000 1.194 164 D HN 0.926 nan 8.370 nan 0.000 0.441 165 G N 1.373 110.216 108.800 0.071 0.000 2.195 165 G HA2 -0.330 3.634 3.960 0.006 0.000 0.246 165 G HA3 -0.330 3.634 3.960 0.006 0.000 0.246 165 G C 0.877 175.797 174.900 0.033 0.000 0.984 165 G CA 0.577 45.694 45.100 0.028 0.000 0.633 165 G HN 0.578 nan 8.290 nan 0.000 0.525 166 S N -0.294 115.462 115.700 0.092 0.000 2.540 166 S HA 0.395 4.869 4.470 0.006 0.000 0.218 166 S C 0.531 175.098 174.600 -0.055 0.000 0.977 166 S CA 0.649 58.914 58.200 0.109 0.000 0.918 166 S CB 0.494 63.853 63.200 0.265 0.000 0.806 166 S HN 0.573 nan 8.310 nan 0.000 0.496 167 E N 1.941 121.983 120.200 -0.264 0.000 2.376 167 E HA 0.144 4.498 4.350 0.006 0.000 0.266 167 E C -0.822 175.654 176.600 -0.207 0.000 1.009 167 E CA 0.177 56.275 56.400 -0.503 0.000 0.902 167 E CB 0.494 29.910 29.700 -0.474 0.000 0.972 167 E HN 0.253 nan 8.360 nan 0.000 0.439 168 K N 4.459 124.766 120.400 -0.155 0.000 2.664 168 K HA 0.169 4.493 4.320 0.006 0.000 0.234 168 K C -1.042 175.532 176.600 -0.045 0.000 0.980 168 K CA -0.418 55.825 56.287 -0.073 0.000 0.996 168 K CB 0.159 32.632 32.500 -0.045 0.000 1.190 168 K HN 0.521 nan 8.250 nan 0.000 0.479 169 N N 3.334 122.010 118.700 -0.040 0.000 2.756 169 N HA -0.189 4.555 4.740 0.006 0.000 0.248 169 N C 0.414 175.926 175.510 0.004 0.000 1.062 169 N CA 1.541 54.583 53.050 -0.014 0.000 0.696 169 N CB -1.082 37.402 38.487 -0.004 0.000 0.946 169 N HN 1.082 nan 8.380 nan 0.000 0.548 170 G N -1.696 107.101 108.800 -0.003 0.000 2.199 170 G HA2 -0.307 3.657 3.960 0.006 0.000 0.254 170 G HA3 -0.307 3.657 3.960 0.006 0.000 0.254 170 G C -0.060 174.898 174.900 0.095 0.000 0.982 170 G CA 0.729 45.852 45.100 0.039 0.000 0.632 170 G HN 0.466 nan 8.290 nan 0.000 0.529 171 Q N -0.463 119.386 119.800 0.081 0.000 2.445 171 Q HA 0.685 5.028 4.340 0.006 0.000 0.281 171 Q C -0.951 175.136 176.000 0.145 0.000 1.101 171 Q CA -0.632 55.310 55.803 0.232 0.000 0.833 171 Q CB 1.480 30.355 28.738 0.227 0.000 1.416 171 Q HN 0.523 nan 8.270 nan 0.000 0.451 172 H N -0.369 118.897 119.070 0.328 0.000 2.569 172 H HA 0.345 4.904 4.556 0.006 0.000 0.357 172 H C 0.074 175.613 175.328 0.351 0.000 1.153 172 H CA -0.429 55.788 56.048 0.281 0.000 1.193 172 H CB 1.567 31.451 29.762 0.204 0.000 1.602 172 H HN 0.336 nan 8.280 nan 0.000 0.523 173 K N 0.967 121.566 120.400 0.332 0.000 2.361 173 K HA 0.474 4.798 4.320 0.006 0.000 0.194 173 K C -0.294 176.515 176.600 0.347 0.000 1.032 173 K CA 0.235 56.667 56.287 0.242 0.000 1.048 173 K CB 0.917 33.507 32.500 0.150 0.000 0.842 173 K HN 0.537 nan 8.250 nan 0.000 0.526 174 A N 0.980 124.041 122.820 0.401 0.000 2.549 174 A HA 0.680 5.004 4.320 0.006 0.000 0.297 174 A C -1.617 176.065 177.584 0.164 0.000 1.061 174 A CA -0.772 51.406 52.037 0.236 0.000 0.690 174 A CB 1.210 20.207 19.000 -0.004 0.000 1.287 174 A HN 0.074 nan 8.150 nan 0.000 0.402 175 L N 1.773 123.011 121.223 0.024 0.000 2.408 175 L HA 0.538 4.881 4.340 0.006 0.000 0.268 175 L C -0.717 176.120 176.870 -0.056 0.000 0.986 175 L CA -0.954 53.838 54.840 -0.081 0.000 0.820 175 L CB 2.288 44.199 42.059 -0.248 0.000 1.303 175 L HN 0.638 nan 8.230 nan 0.000 0.411 176 N N 2.056 120.734 118.700 -0.037 0.000 2.384 176 N HA 0.539 5.283 4.740 0.006 0.000 0.301 176 N C -2.659 172.879 175.510 0.046 0.000 1.133 176 N CA -1.723 51.328 53.050 0.002 0.000 0.853 176 N CB 2.146 40.629 38.487 -0.007 0.000 1.241 176 N HN 0.240 nan 8.380 nan 0.000 0.502 177 P HA 0.116 nan 4.420 nan 0.000 0.269 177 P C -0.831 176.554 177.300 0.141 0.000 1.215 177 P CA -0.008 63.182 63.100 0.150 0.000 0.780 177 P CB 0.554 32.281 31.700 0.045 0.000 0.898 178 N N 1.371 120.152 118.700 0.135 0.000 2.454 178 N HA 0.346 5.090 4.740 0.006 0.000 0.291 178 N C -2.712 172.850 175.510 0.086 0.000 1.079 178 N CA -1.956 51.159 53.050 0.109 0.000 0.893 178 N CB 1.067 39.598 38.487 0.074 0.000 1.512 178 N HN 0.163 nan 8.380 nan 0.000 0.497 179 P HA 0.084 nan 4.420 nan 0.000 0.272 179 P C -0.070 177.253 177.300 0.038 0.000 1.240 179 P CA -0.016 63.099 63.100 0.025 0.000 0.791 179 P CB 0.498 32.162 31.700 -0.060 0.000 0.978 180 Y N -1.843 118.462 120.300 0.009 0.000 2.510 180 Y HA 0.353 4.906 4.550 0.006 0.000 0.273 180 Y C 0.722 176.629 175.900 0.012 0.000 1.119 180 Y CA -0.324 57.781 58.100 0.008 0.000 1.286 180 Y CB -0.027 38.449 38.460 0.027 0.000 1.061 180 Y HN 0.285 nan 8.280 nan 0.000 0.542 181 E N 2.294 122.223 120.200 -0.451 0.000 2.174 181 E HA 0.287 4.641 4.350 0.006 0.000 0.282 181 E C -0.881 175.608 176.600 -0.185 0.000 0.992 181 E CA -0.864 55.342 56.400 -0.324 0.000 0.803 181 E CB 0.854 30.278 29.700 -0.460 0.000 1.090 181 E HN 0.294 nan 8.360 nan 0.000 0.396 182 R N 4.036 124.439 120.500 -0.161 0.000 2.445 182 R HA 0.319 4.662 4.340 0.006 0.000 0.308 182 R C -1.136 175.051 176.300 -0.188 0.000 0.961 182 R CA -0.704 55.293 56.100 -0.171 0.000 0.862 182 R CB 1.369 31.526 30.300 -0.239 0.000 1.144 182 R HN 0.380 nan 8.270 nan 0.000 0.447 183 V N 6.798 126.619 119.914 -0.156 0.000 2.555 183 V HA 0.209 4.333 4.120 0.006 0.000 0.286 183 V C 0.642 176.634 176.094 -0.169 0.000 1.044 183 V CA -0.003 62.212 62.300 -0.142 0.000 1.026 183 V CB 0.544 32.305 31.823 -0.103 0.000 0.981 183 V HN 0.645 nan 8.190 nan 0.000 0.480 184 I N 2.330 122.802 120.570 -0.164 0.000 3.145 184 I HA 0.570 4.743 4.170 0.006 0.000 0.313 184 I C -2.295 173.749 176.117 -0.121 0.000 1.122 184 I CA -2.590 58.611 61.300 -0.165 0.000 0.987 184 I CB 1.893 39.770 38.000 -0.206 0.000 1.236 184 I HN 0.237 nan 8.210 nan 0.000 0.453 185 P HA -0.078 nan 4.420 nan 0.000 0.220 185 P C 0.654 177.907 177.300 -0.077 0.000 1.148 185 P CA 1.345 64.396 63.100 -0.081 0.000 0.803 185 P CB 0.165 31.821 31.700 -0.074 0.000 0.782 186 E N -1.507 118.639 120.200 -0.090 0.000 2.489 186 E HA 0.264 4.618 4.350 0.006 0.000 0.193 186 E C 1.267 177.821 176.600 -0.078 0.000 1.057 186 E CA 0.578 56.930 56.400 -0.080 0.000 0.866 186 E CB -0.110 29.540 29.700 -0.083 0.000 0.916 186 E HN 0.210 nan 8.360 nan 0.000 0.500 187 G N -0.255 108.492 108.800 -0.087 0.000 2.174 187 G HA2 -0.027 3.937 3.960 0.006 0.000 0.070 187 G HA3 -0.027 3.937 3.960 0.006 0.000 0.070 187 G C -0.501 174.339 174.900 -0.101 0.000 1.120 187 G CA -0.271 44.782 45.100 -0.079 0.000 1.194 187 G HN 0.324 nan 8.290 nan 0.000 0.435 188 T N -1.131 113.360 114.554 -0.106 0.000 2.883 188 T HA 0.843 5.197 4.350 0.006 0.000 0.301 188 T C -0.903 173.701 174.700 -0.159 0.000 1.158 188 T CA 0.027 62.046 62.100 -0.134 0.000 1.007 188 T CB 1.952 70.755 68.868 -0.107 0.000 1.186 188 T HN 1.981 nan 8.240 nan 0.000 0.499 189 L N -1.101 119.988 121.223 -0.223 0.000 2.409 189 L HA 1.030 5.374 4.340 0.006 0.000 0.255 189 L C -0.528 176.257 176.870 -0.141 0.000 1.027 189 L CA -0.986 53.692 54.840 -0.270 0.000 0.834 189 L CB 1.732 43.339 42.059 -0.754 0.000 1.426 189 L HN 1.162 nan 8.230 nan 0.000 0.411 190 S N -0.330 115.437 115.700 0.111 0.000 2.537 190 S HA 0.827 5.300 4.470 0.006 0.000 0.271 190 S C -1.289 173.603 174.600 0.486 0.000 1.148 190 S CA -0.752 57.598 58.200 0.251 0.000 0.868 190 S CB 1.859 65.170 63.200 0.184 0.000 1.115 190 S HN 1.048 nan 8.310 nan 0.000 0.461 191 K N 1.000 121.661 120.400 0.435 0.000 2.535 191 K HA 0.663 4.987 4.320 0.006 0.000 0.251 191 K C -1.211 175.512 176.600 0.205 0.000 0.942 191 K CA -0.539 55.926 56.287 0.296 0.000 0.798 191 K CB 1.479 34.142 32.500 0.271 0.000 1.267 191 K HN 1.023 nan 8.250 nan 0.000 0.434 192 R N 2.713 123.252 120.500 0.065 0.000 2.716 192 R HA 0.432 4.776 4.340 0.006 0.000 0.271 192 R C -1.265 175.012 176.300 -0.039 0.000 1.028 192 R CA -0.972 55.097 56.100 -0.052 0.000 0.883 192 R CB 0.543 30.618 30.300 -0.374 0.000 1.250 192 R HN 0.354 nan 8.270 nan 0.000 0.465 193 I N 3.084 123.623 120.570 -0.052 0.000 2.452 193 I HA 0.096 4.270 4.170 0.006 0.000 0.287 193 I C 0.265 176.375 176.117 -0.011 0.000 1.079 193 I CA -0.347 60.937 61.300 -0.027 0.000 1.387 193 I CB 0.657 38.623 38.000 -0.056 0.000 1.404 193 I HN 0.742 nan 8.210 nan 0.000 0.522 194 Y N 4.775 125.009 120.300 -0.110 0.000 2.444 194 Y HA 0.340 4.893 4.550 0.006 0.000 0.249 194 Y C 0.259 176.128 175.900 -0.051 0.000 1.134 194 Y CA -0.489 57.541 58.100 -0.116 0.000 1.261 194 Y CB -0.029 38.359 38.460 -0.120 0.000 1.143 194 Y HN 0.579 nan 8.280 nan 0.000 0.523 195 Q N -0.640 118.815 119.800 -0.576 0.000 2.527 195 Q HA 0.576 4.920 4.340 0.006 0.000 0.280 195 Q C -2.100 173.760 176.000 -0.233 0.000 0.977 195 Q CA -1.188 54.367 55.803 -0.413 0.000 0.837 195 Q CB 2.094 30.498 28.738 -0.558 0.000 1.454 195 Q HN -0.042 nan 8.270 nan 0.000 0.387 196 V N 3.183 123.005 119.914 -0.153 0.000 2.364 196 V HA 0.156 4.280 4.120 0.006 0.000 0.272 196 V C 0.155 176.094 176.094 -0.258 0.000 1.036 196 V CA -0.531 61.643 62.300 -0.210 0.000 0.880 196 V CB 0.782 32.527 31.823 -0.130 0.000 0.991 196 V HN 0.769 nan 8.190 nan 0.000 0.460 197 N N 3.131 121.645 118.700 -0.309 0.000 2.251 197 N HA -0.003 4.741 4.740 0.006 0.000 0.181 197 N C 0.605 175.988 175.510 -0.211 0.000 1.019 197 N CA 0.769 53.685 53.050 -0.224 0.000 0.862 197 N CB 0.031 38.410 38.487 -0.180 0.000 0.992 197 N HN 0.644 nan 8.380 nan 0.000 0.429 198 N N 0.192 118.722 118.700 -0.283 0.000 2.655 198 N HA 0.053 4.797 4.740 0.006 0.000 0.277 198 N C 0.084 175.424 175.510 -0.283 0.000 1.177 198 N CA -0.266 52.651 53.050 -0.220 0.000 0.882 198 N CB 1.011 39.405 38.487 -0.155 0.000 1.481 198 N HN -0.111 nan 8.380 nan 0.000 0.547 199 L N 3.121 124.203 121.223 -0.234 0.000 2.017 199 L HA 0.050 4.394 4.340 0.006 0.000 0.208 199 L C 1.231 178.008 176.870 -0.155 0.000 1.073 199 L CA 2.038 56.746 54.840 -0.219 0.000 0.745 199 L CB -0.227 41.752 42.059 -0.133 0.000 0.894 199 L HN 0.505 nan 8.230 nan 0.000 0.432 200 D N -0.758 119.573 120.400 -0.116 0.000 2.218 200 D HA -0.180 4.464 4.640 0.006 0.000 0.204 200 D C 1.343 177.595 176.300 -0.081 0.000 0.976 200 D CA 1.400 55.350 54.000 -0.083 0.000 0.853 200 D CB -0.115 40.646 40.800 -0.065 0.000 0.939 200 D HN 0.455 nan 8.370 nan 0.000 0.481 201 D N -0.476 119.863 120.400 -0.101 0.000 2.363 201 D HA -0.001 4.642 4.640 0.006 0.000 0.214 201 D C -0.459 175.784 176.300 -0.095 0.000 1.093 201 D CA -0.144 53.808 54.000 -0.080 0.000 0.837 201 D CB -0.115 40.643 40.800 -0.070 0.000 0.948 201 D HN -0.122 nan 8.370 nan 0.000 0.507 202 N N 1.247 119.862 118.700 -0.141 0.000 2.738 202 N HA -0.209 4.535 4.740 0.006 0.000 0.249 202 N C -0.894 174.565 175.510 -0.086 0.000 1.047 202 N CA 0.579 53.583 53.050 -0.077 0.000 0.707 202 N CB -1.350 37.132 38.487 -0.009 0.000 0.937 202 N HN 0.562 nan 8.380 nan 0.000 0.545 203 Q N 0.058 119.628 119.800 -0.384 0.000 2.331 203 Q HA 0.546 4.889 4.340 0.006 0.000 0.267 203 Q C -0.969 174.718 176.000 -0.523 0.000 1.006 203 Q CA -0.369 55.285 55.803 -0.249 0.000 0.818 203 Q CB 1.276 29.906 28.738 -0.180 0.000 1.276 203 Q HN 0.237 nan 8.270 nan 0.000 0.450 204 Y N -0.678 119.586 120.300 -0.061 0.000 2.553 204 Y HA 0.580 5.133 4.550 0.006 0.000 0.347 204 Y C 0.460 176.280 175.900 -0.133 0.000 1.019 204 Y CA -1.079 56.958 58.100 -0.106 0.000 1.032 204 Y CB 1.959 40.373 38.460 -0.077 0.000 1.284 204 Y HN 0.661 nan 8.280 nan 0.000 0.466 205 G N 2.585 111.323 108.800 -0.103 0.000 2.356 205 G HA2 0.603 4.567 3.960 0.006 0.000 0.298 205 G HA3 0.603 4.567 3.960 0.006 0.000 0.298 205 G C -1.036 173.824 174.900 -0.066 0.000 1.145 205 G CA -0.415 44.578 45.100 -0.179 0.000 0.850 205 G HN 0.358 nan 8.290 nan 0.000 0.487 206 I N 1.034 121.567 120.570 -0.062 0.000 2.474 206 I HA 0.455 4.628 4.170 0.006 0.000 0.294 206 I C -0.128 175.909 176.117 -0.133 0.000 1.005 206 I CA -0.845 60.339 61.300 -0.193 0.000 1.113 206 I CB 1.855 39.434 38.000 -0.701 0.000 1.289 206 I HN 0.556 nan 8.210 nan 0.000 0.436 207 E N 5.686 125.856 120.200 -0.050 0.000 2.234 207 E HA 0.602 4.955 4.350 0.006 0.000 0.266 207 E C -2.014 174.574 176.600 -0.019 0.000 0.877 207 E CA -0.630 55.692 56.400 -0.131 0.000 0.758 207 E CB 2.224 31.751 29.700 -0.289 0.000 1.170 207 E HN 0.349 nan 8.360 nan 0.000 0.415 208 L N 2.810 124.048 121.223 0.025 0.000 2.365 208 L HA 0.507 4.850 4.340 0.006 0.000 0.273 208 L C -0.074 176.892 176.870 0.159 0.000 1.000 208 L CA -0.367 54.537 54.840 0.106 0.000 0.819 208 L CB 2.063 44.102 42.059 -0.033 0.000 1.284 208 L HN 0.691 nan 8.230 nan 0.000 0.418 209 T N -0.085 114.624 114.554 0.259 0.000 2.906 209 T HA 0.923 5.277 4.350 0.006 0.000 0.295 209 T C -1.019 173.812 174.700 0.220 0.000 1.075 209 T CA -0.767 61.448 62.100 0.191 0.000 1.005 209 T CB 1.849 70.794 68.868 0.129 0.000 1.136 209 T HN 0.233 nan 8.240 nan 0.000 0.498 210 V N 1.332 121.327 119.914 0.135 0.000 2.733 210 V HA 0.760 4.883 4.120 0.006 0.000 0.306 210 V C -0.483 175.632 176.094 0.036 0.000 1.084 210 V CA -0.758 61.589 62.300 0.079 0.000 0.905 210 V CB 2.008 33.898 31.823 0.113 0.000 1.010 210 V HN 1.152 nan 8.190 nan 0.000 0.424 211 S N 2.239 117.936 115.700 -0.004 0.000 2.526 211 S HA 0.864 5.337 4.470 0.006 0.000 0.293 211 S C 0.114 174.700 174.600 -0.024 0.000 1.092 211 S CA 0.187 58.383 58.200 -0.008 0.000 0.980 211 S CB 1.776 64.966 63.200 -0.016 0.000 1.048 211 S HN 1.145 nan 8.310 nan 0.000 0.483 212 G N 1.888 110.679 108.800 -0.015 0.000 2.583 212 G HA2 0.641 4.605 3.960 0.006 0.000 0.280 212 G HA3 0.641 4.605 3.960 0.006 0.000 0.280 212 G C -1.182 173.699 174.900 -0.032 0.000 1.376 212 G CA -0.573 44.513 45.100 -0.025 0.000 1.043 212 G HN 0.725 nan 8.290 nan 0.000 0.538 213 K N -0.863 119.512 120.400 -0.040 0.000 2.501 213 K HA 0.464 4.788 4.320 0.006 0.000 0.252 213 K C -1.211 175.343 176.600 -0.077 0.000 0.934 213 K CA -0.505 55.751 56.287 -0.050 0.000 0.797 213 K CB 1.900 34.367 32.500 -0.054 0.000 1.270 213 K HN 0.421 nan 8.250 nan 0.000 0.431 214 T N 2.716 117.207 114.554 -0.105 0.000 2.771 214 T HA 0.303 4.657 4.350 0.006 0.000 0.291 214 T C -0.629 173.861 174.700 -0.350 0.000 0.954 214 T CA -0.518 61.447 62.100 -0.225 0.000 1.045 214 T CB 0.953 69.683 68.868 -0.229 0.000 0.917 214 T HN 0.256 nan 8.240 nan 0.000 0.484 215 V N 4.564 124.259 119.914 -0.365 0.000 2.417 215 V HA 0.402 4.526 4.120 0.006 0.000 0.291 215 V C -0.967 174.891 176.094 -0.394 0.000 1.024 215 V CA -1.011 61.123 62.300 -0.278 0.000 0.861 215 V CB 0.628 32.377 31.823 -0.124 0.000 0.985 215 V HN 0.758 nan 8.190 nan 0.000 0.436 216 Y N 2.417 122.724 120.300 0.010 0.000 2.342 216 Y HA 0.594 5.147 4.550 0.006 0.000 0.334 216 Y C 0.521 176.390 175.900 -0.052 0.000 1.067 216 Y CA -0.717 57.352 58.100 -0.051 0.000 1.128 216 Y CB 1.340 39.781 38.460 -0.033 0.000 1.200 216 Y HN 0.615 nan 8.280 nan 0.000 0.464 217 E N 2.335 122.565 120.200 0.050 0.000 2.248 217 E HA 0.374 4.728 4.350 0.006 0.000 0.267 217 E C -1.173 175.427 176.600 -0.001 0.000 0.877 217 E CA -1.242 55.173 56.400 0.025 0.000 0.759 217 E CB 1.810 31.516 29.700 0.009 0.000 1.182 217 E HN 0.526 nan 8.360 nan 0.000 0.418 218 Q N 1.600 121.406 119.800 0.009 0.000 2.382 218 Q HA 0.115 4.458 4.340 0.006 0.000 0.229 218 Q C 0.966 176.969 176.000 0.005 0.000 1.006 218 Q CA -0.343 55.460 55.803 0.001 0.000 0.916 218 Q CB 0.741 29.492 28.738 0.023 0.000 1.235 218 Q HN 0.309 nan 8.270 nan 0.000 0.512 219 K N 0.524 120.929 120.400 0.007 0.000 2.281 219 K HA -0.119 4.205 4.320 0.006 0.000 0.203 219 K C -0.138 176.471 176.600 0.015 0.000 1.046 219 K CA 0.901 57.196 56.287 0.013 0.000 0.938 219 K CB 0.106 32.617 32.500 0.018 0.000 0.737 219 K HN 0.542 nan 8.250 nan 0.000 0.458 220 D N 0.334 120.744 120.400 0.018 0.000 2.469 220 D HA 0.163 4.807 4.640 0.006 0.000 0.251 220 D C 0.171 176.483 176.300 0.020 0.000 1.173 220 D CA -0.310 53.701 54.000 0.018 0.000 0.882 220 D CB 1.314 42.125 40.800 0.019 0.000 1.129 220 D HN -0.318 nan 8.370 nan 0.000 0.549 221 K N 0.563 120.973 120.400 0.018 0.000 2.152 221 K HA -0.114 4.210 4.320 0.006 0.000 0.206 221 K C 1.801 178.414 176.600 0.022 0.000 1.048 221 K CA 1.391 57.690 56.287 0.019 0.000 0.933 221 K CB -0.082 32.427 32.500 0.015 0.000 0.721 221 K HN 0.408 nan 8.250 nan 0.000 0.447 222 S N -0.643 115.069 115.700 0.019 0.000 2.603 222 S HA 0.027 4.501 4.470 0.006 0.000 0.229 222 S C 0.468 175.082 174.600 0.023 0.000 0.972 222 S CA -0.184 58.027 58.200 0.019 0.000 0.935 222 S CB 0.003 63.212 63.200 0.015 0.000 0.769 222 S HN -0.092 nan 8.310 nan 0.000 0.536 223 V N 4.727 124.657 119.914 0.027 0.000 2.284 223 V HA 0.434 4.558 4.120 0.006 0.000 0.274 223 V C -2.080 174.038 176.094 0.041 0.000 1.023 223 V CA -2.011 60.308 62.300 0.032 0.000 0.808 223 V CB 1.181 33.023 31.823 0.030 0.000 1.035 223 V HN 0.299 nan 8.190 nan 0.000 0.445 224 P HA 0.363 nan 4.420 nan 0.000 0.277 224 P C -0.799 176.539 177.300 0.063 0.000 1.271 224 P CA -0.475 62.657 63.100 0.054 0.000 0.795 224 P CB 1.533 33.261 31.700 0.047 0.000 1.101 225 L N 0.641 121.913 121.223 0.081 0.000 2.309 225 L HA 0.426 4.770 4.340 0.006 0.000 0.282 225 L C 0.156 177.072 176.870 0.075 0.000 1.036 225 L CA -0.412 54.485 54.840 0.095 0.000 0.806 225 L CB 0.831 42.980 42.059 0.150 0.000 1.220 225 L HN 0.186 nan 8.230 nan 0.000 0.429 226 D N 2.551 122.986 120.400 0.058 0.000 2.440 226 D HA 0.443 5.087 4.640 0.006 0.000 0.239 226 D C -0.873 175.442 176.300 0.025 0.000 1.084 226 D CA -0.052 53.968 54.000 0.033 0.000 0.843 226 D CB 2.422 43.227 40.800 0.009 0.000 1.097 226 D HN 0.026 nan 8.370 nan 0.000 0.531 227 V N 2.483 122.427 119.914 0.051 0.000 2.540 227 V HA 0.429 4.552 4.120 0.006 0.000 0.302 227 V C 0.101 176.233 176.094 0.063 0.000 1.035 227 V CA -0.858 61.495 62.300 0.090 0.000 0.873 227 V CB 2.207 34.143 31.823 0.189 0.000 0.992 227 V HN 0.212 nan 8.190 nan 0.000 0.428 228 V N 5.867 125.805 119.914 0.040 0.000 2.435 228 V HA 0.515 4.639 4.120 0.006 0.000 0.290 228 V C -0.143 176.022 176.094 0.119 0.000 1.030 228 V CA -0.464 61.861 62.300 0.042 0.000 0.881 228 V CB 1.871 33.674 31.823 -0.034 0.000 0.983 228 V HN 0.679 nan 8.190 nan 0.000 0.445 229 I N 5.625 126.268 120.570 0.123 0.000 2.336 229 I HA 0.408 4.581 4.170 0.006 0.000 0.292 229 I C -0.536 175.663 176.117 0.137 0.000 0.991 229 I CA -0.311 61.089 61.300 0.166 0.000 1.227 229 I CB 1.316 39.385 38.000 0.114 0.000 1.366 229 I HN 0.334 nan 8.210 nan 0.000 0.466 230 L N 7.159 128.484 121.223 0.170 0.000 2.296 230 L HA 0.523 4.867 4.340 0.006 0.000 0.286 230 L C -0.864 176.201 176.870 0.325 0.000 1.023 230 L CA -0.747 54.192 54.840 0.166 0.000 0.812 230 L CB 1.788 43.817 42.059 -0.050 0.000 1.223 230 L HN 0.406 nan 8.230 nan 0.000 0.421 231 L N 3.564 124.964 121.223 0.295 0.000 2.404 231 L HA 0.423 4.766 4.340 0.006 0.000 0.272 231 L C -0.527 176.322 176.870 -0.035 0.000 0.980 231 L CA -0.293 54.650 54.840 0.172 0.000 0.836 231 L CB 1.513 43.620 42.059 0.081 0.000 1.238 231 L HN 0.412 nan 8.230 nan 0.000 0.408 232 D N 3.477 123.767 120.400 -0.182 0.000 2.401 232 D HA -0.001 4.643 4.640 0.006 0.000 0.254 232 D C -0.086 176.000 176.300 -0.358 0.000 1.192 232 D CA 0.707 54.340 54.000 -0.612 0.000 0.885 232 D CB 0.561 41.142 40.800 -0.364 0.000 1.147 232 D HN 0.720 nan 8.370 nan 0.000 0.478 233 N N 2.622 121.072 118.700 -0.417 0.000 2.416 233 N HA -0.011 4.733 4.740 0.006 0.000 0.267 233 N C -0.325 175.116 175.510 -0.115 0.000 1.294 233 N CA -0.400 52.550 53.050 -0.165 0.000 0.891 233 N CB 0.280 38.777 38.487 0.016 0.000 1.238 233 N HN 0.388 nan 8.380 nan 0.000 0.508 234 S N 0.030 115.611 115.700 -0.200 0.000 2.580 234 S HA 0.135 4.609 4.470 0.006 0.000 0.266 234 S C 1.287 175.855 174.600 -0.054 0.000 1.354 234 S CA -0.394 57.731 58.200 -0.126 0.000 1.008 234 S CB 0.844 63.958 63.200 -0.142 0.000 0.898 234 S HN 0.193 nan 8.310 nan 0.000 0.555 235 N N 1.863 120.520 118.700 -0.071 0.000 2.149 235 N HA -0.141 4.603 4.740 0.006 0.000 0.188 235 N C 2.037 177.542 175.510 -0.008 0.000 1.019 235 N CA 1.690 54.707 53.050 -0.055 0.000 0.857 235 N CB -1.115 37.242 38.487 -0.216 0.000 0.997 235 N HN 0.883 nan 8.380 nan 0.000 0.426 236 S N 0.276 115.965 115.700 -0.018 0.000 2.440 236 S HA -0.079 4.394 4.470 0.006 0.000 0.238 236 S C 1.730 176.328 174.600 -0.003 0.000 1.010 236 S CA 0.768 58.970 58.200 0.003 0.000 0.972 236 S CB -0.238 62.960 63.200 -0.003 0.000 0.774 236 S HN 0.171 nan 8.310 nan 0.000 0.501 237 M N 1.949 121.539 119.600 -0.017 0.000 2.562 237 M HA 0.185 4.669 4.480 0.006 0.000 0.257 237 M C 1.279 177.574 176.300 -0.008 0.000 1.099 237 M CA 0.298 55.587 55.300 -0.020 0.000 1.099 237 M CB -1.481 31.095 32.600 -0.040 0.000 1.427 237 M HN 0.473 nan 8.290 nan 0.000 0.489 238 S N 2.187 117.891 115.700 0.007 0.000 2.715 238 S HA -0.098 4.376 4.470 0.006 0.000 0.318 238 S C 1.230 175.828 174.600 -0.002 0.000 1.242 238 S CA 0.016 58.221 58.200 0.009 0.000 1.044 238 S CB 0.366 63.579 63.200 0.022 0.000 0.760 238 S HN 0.341 nan 8.310 nan 0.000 0.501 239 N N 3.714 122.408 118.700 -0.010 0.000 2.223 239 N HA -0.097 4.646 4.740 0.006 0.000 0.185 239 N C 1.606 177.110 175.510 -0.011 0.000 1.016 239 N CA 1.846 54.888 53.050 -0.013 0.000 0.863 239 N CB -0.494 37.983 38.487 -0.017 0.000 0.983 239 N HN 0.900 nan 8.380 nan 0.000 0.429 240 I N -1.910 118.652 120.570 -0.013 0.000 3.059 240 I HA 0.076 4.250 4.170 0.006 0.000 0.270 240 I C 0.817 176.933 176.117 -0.002 0.000 1.238 240 I CA 0.055 61.348 61.300 -0.012 0.000 1.478 240 I CB 0.060 38.047 38.000 -0.022 0.000 1.097 240 I HN -0.159 nan 8.210 nan 0.000 0.455 241 R N 2.173 122.675 120.500 0.004 0.000 2.738 241 R HA 0.151 4.495 4.340 0.006 0.000 0.275 241 R C 0.185 176.492 176.300 0.012 0.000 1.121 241 R CA 0.006 56.115 56.100 0.015 0.000 1.207 241 R CB -0.014 30.302 30.300 0.027 0.000 1.141 241 R HN 0.355 nan 8.270 nan 0.000 0.571 242 N N 1.270 119.981 118.700 0.018 0.000 2.758 242 N HA -0.187 4.557 4.740 0.006 0.000 0.248 242 N C -1.092 174.425 175.510 0.010 0.000 1.076 242 N CA 1.241 54.300 53.050 0.015 0.000 0.696 242 N CB -0.894 37.600 38.487 0.012 0.000 0.979 242 N HN 0.711 nan 8.380 nan 0.000 0.550 243 K N -1.205 119.202 120.400 0.011 0.000 3.162 243 K HA -0.250 4.074 4.320 0.006 0.000 0.268 243 K C 0.174 176.775 176.600 0.003 0.000 1.062 243 K CA 0.852 57.143 56.287 0.007 0.000 0.769 243 K CB -1.406 31.098 32.500 0.007 0.000 1.274 243 K HN 0.557 nan 8.250 nan 0.000 0.478 244 N N -1.629 117.072 118.700 0.002 0.000 2.754 244 N HA -0.253 4.491 4.740 0.006 0.000 0.248 244 N C 0.661 176.169 175.510 -0.004 0.000 1.093 244 N CA 1.013 54.062 53.050 -0.003 0.000 0.699 244 N CB -0.880 37.605 38.487 -0.004 0.000 1.016 244 N HN 0.596 nan 8.380 nan 0.000 0.552 245 A N 0.401 123.220 122.820 -0.003 0.000 2.172 245 A HA -0.026 4.298 4.320 0.006 0.000 0.216 245 A C 1.036 178.615 177.584 -0.009 0.000 1.154 245 A CA 1.288 53.322 52.037 -0.005 0.000 0.701 245 A CB 0.016 19.015 19.000 -0.003 0.000 0.789 245 A HN 0.451 nan 8.150 nan 0.000 0.465 246 R N -1.454 119.040 120.500 -0.011 0.000 3.531 246 R HA -0.205 4.138 4.340 0.006 0.000 0.280 246 R C 0.705 176.994 176.300 -0.018 0.000 1.130 246 R CA 1.060 57.151 56.100 -0.015 0.000 0.757 246 R CB -2.629 27.662 30.300 -0.016 0.000 1.218 246 R HN 0.766 nan 8.270 nan 0.000 0.454 247 R N 0.376 120.867 120.500 -0.016 0.000 2.080 247 R HA -0.103 4.240 4.340 0.006 0.000 0.236 247 R C 2.259 178.542 176.300 -0.029 0.000 1.137 247 R CA 2.100 58.188 56.100 -0.019 0.000 0.943 247 R CB -0.230 30.061 30.300 -0.015 0.000 0.846 247 R HN 0.424 nan 8.270 nan 0.000 0.431 248 A N 1.861 124.662 122.820 -0.033 0.000 1.877 248 A HA -0.237 4.087 4.320 0.006 0.000 0.216 248 A C 2.121 179.672 177.584 -0.056 0.000 1.186 248 A CA 1.812 53.819 52.037 -0.050 0.000 0.620 248 A CB -0.562 18.408 19.000 -0.050 0.000 0.822 248 A HN 0.593 nan 8.150 nan 0.000 0.443 249 E N -0.190 119.983 120.200 -0.044 0.000 2.106 249 E HA -0.213 4.141 4.350 0.006 0.000 0.192 249 E C 2.062 178.636 176.600 -0.043 0.000 0.984 249 E CA 1.124 57.497 56.400 -0.045 0.000 0.806 249 E CB -0.332 29.347 29.700 -0.035 0.000 0.750 249 E HN 0.604 nan 8.360 nan 0.000 0.458 250 R N 0.585 121.063 120.500 -0.036 0.000 2.090 250 R HA 0.047 4.391 4.340 0.006 0.000 0.228 250 R C 2.527 178.805 176.300 -0.038 0.000 1.110 250 R CA 1.126 57.206 56.100 -0.034 0.000 0.973 250 R CB -0.293 29.991 30.300 -0.028 0.000 0.869 250 R HN 0.274 nan 8.270 nan 0.000 0.440 251 A N 0.817 123.615 122.820 -0.037 0.000 1.930 251 A HA -0.043 4.281 4.320 0.006 0.000 0.217 251 A C 2.336 179.892 177.584 -0.047 0.000 1.175 251 A CA 1.633 53.650 52.037 -0.033 0.000 0.627 251 A CB -0.972 18.012 19.000 -0.026 0.000 0.815 251 A HN 0.446 nan 8.150 nan 0.000 0.443 252 G N -0.254 108.511 108.800 -0.060 0.000 2.404 252 G HA2 -0.194 3.770 3.960 0.006 0.000 0.215 252 G HA3 -0.194 3.770 3.960 0.006 0.000 0.215 252 G C 1.398 176.259 174.900 -0.066 0.000 1.174 252 G CA 0.966 46.023 45.100 -0.072 0.000 0.780 252 G HN 0.639 nan 8.290 nan 0.000 0.537 253 E N 0.644 120.809 120.200 -0.059 0.000 2.110 253 E HA -0.033 4.321 4.350 0.006 0.000 0.193 253 E C 2.876 179.436 176.600 -0.066 0.000 0.988 253 E CA 0.805 57.171 56.400 -0.056 0.000 0.804 253 E CB -0.187 29.485 29.700 -0.046 0.000 0.745 253 E HN 0.411 nan 8.360 nan 0.000 0.458 254 A N 0.910 123.691 122.820 -0.066 0.000 1.902 254 A HA -0.178 4.145 4.320 0.006 0.000 0.217 254 A C 2.381 179.898 177.584 -0.112 0.000 1.181 254 A CA 1.854 53.842 52.037 -0.081 0.000 0.623 254 A CB -0.899 18.061 19.000 -0.066 0.000 0.818 254 A HN 0.180 nan 8.150 nan 0.000 0.443 255 T N -0.072 114.424 114.554 -0.096 0.000 2.652 255 T HA -0.179 4.175 4.350 0.006 0.000 0.267 255 T C 2.047 176.668 174.700 -0.131 0.000 1.039 255 T CA 1.708 63.741 62.100 -0.111 0.000 1.153 255 T CB -0.286 68.542 68.868 -0.067 0.000 0.863 255 T HN 0.534 nan 8.240 nan 0.000 0.428 256 R N 0.956 121.394 120.500 -0.103 0.000 2.103 256 R HA -0.066 4.277 4.340 0.006 0.000 0.242 256 R C 2.919 179.146 176.300 -0.121 0.000 1.142 256 R CA 1.645 57.684 56.100 -0.101 0.000 0.960 256 R CB -0.424 29.831 30.300 -0.076 0.000 0.858 256 R HN 0.265 nan 8.270 nan 0.000 0.439 257 S N 1.037 116.663 115.700 -0.124 0.000 2.368 257 S HA -0.103 4.371 4.470 0.006 0.000 0.224 257 S C 1.804 176.278 174.600 -0.210 0.000 1.029 257 S CA 0.871 58.992 58.200 -0.131 0.000 0.988 257 S CB -0.213 62.925 63.200 -0.102 0.000 0.838 257 S HN 0.169 nan 8.310 nan 0.000 0.462 258 L N 2.117 123.173 121.223 -0.279 0.000 2.046 258 L HA -0.007 4.337 4.340 0.006 0.000 0.208 258 L C 1.890 178.489 176.870 -0.452 0.000 1.077 258 L CA 1.527 56.090 54.840 -0.462 0.000 0.747 258 L CB -0.615 41.125 42.059 -0.532 0.000 0.896 258 L HN 0.273 nan 8.230 nan 0.000 0.432 259 I N -0.235 120.157 120.570 -0.297 0.000 2.151 259 I HA -0.341 3.833 4.170 0.006 0.000 0.243 259 I C 2.109 178.104 176.117 -0.203 0.000 1.080 259 I CA 1.607 62.772 61.300 -0.226 0.000 1.339 259 I CB -0.645 37.261 38.000 -0.157 0.000 1.039 259 I HN 0.311 nan 8.210 nan 0.000 0.409 260 D N 1.002 121.300 120.400 -0.170 0.000 2.123 260 D HA -0.186 4.458 4.640 0.006 0.000 0.196 260 D C 2.187 178.419 176.300 -0.114 0.000 0.992 260 D CA 1.379 55.311 54.000 -0.112 0.000 0.833 260 D CB -0.199 40.557 40.800 -0.073 0.000 0.954 260 D HN 0.370 nan 8.370 nan 0.000 0.455 261 K N 0.127 120.388 120.400 -0.232 0.000 2.025 261 K HA -0.008 4.315 4.320 0.006 0.000 0.207 261 K C 2.373 178.765 176.600 -0.347 0.000 1.049 261 K CA 0.504 56.613 56.287 -0.296 0.000 0.933 261 K CB -0.052 32.034 32.500 -0.690 0.000 0.714 261 K HN 0.122 nan 8.250 nan 0.000 0.438 262 I N 1.165 121.433 120.570 -0.504 0.000 2.208 262 I HA -0.257 3.917 4.170 0.006 0.000 0.245 262 I C 2.270 178.363 176.117 -0.040 0.000 1.097 262 I CA 1.593 62.742 61.300 -0.251 0.000 1.363 262 I CB -0.361 37.487 38.000 -0.252 0.000 1.051 262 I HN 0.307 nan 8.210 nan 0.000 0.413 263 T N -3.061 111.457 114.554 -0.061 0.000 3.086 263 T HA 0.070 4.423 4.350 0.006 0.000 0.250 263 T C 1.728 176.440 174.700 0.020 0.000 1.074 263 T CA 0.391 62.481 62.100 -0.015 0.000 0.988 263 T CB -0.208 68.633 68.868 -0.046 0.000 0.988 263 T HN 0.375 nan 8.240 nan 0.000 0.530 264 S N 0.937 116.672 115.700 0.059 0.000 2.419 264 S HA -0.091 4.382 4.470 0.006 0.000 0.233 264 S C 0.792 175.450 174.600 0.097 0.000 1.016 264 S CA 0.424 58.679 58.200 0.092 0.000 0.974 264 S CB -0.562 62.739 63.200 0.167 0.000 0.786 264 S HN 0.553 nan 8.310 nan 0.000 0.492 265 D N 2.182 122.656 120.400 0.124 0.000 2.316 265 D HA 0.247 4.891 4.640 0.006 0.000 0.245 265 D C 1.226 177.561 176.300 0.058 0.000 1.171 265 D CA 0.304 54.359 54.000 0.092 0.000 0.856 265 D CB 1.580 42.452 40.800 0.119 0.000 1.090 265 D HN 0.292 nan 8.370 nan 0.000 0.476 266 S N 3.256 118.978 115.700 0.037 0.000 2.469 266 S HA -0.152 4.322 4.470 0.006 0.000 0.238 266 S C 1.103 175.719 174.600 0.026 0.000 0.998 266 S CA 0.614 58.828 58.200 0.024 0.000 0.957 266 S CB -0.138 63.070 63.200 0.014 0.000 0.764 266 S HN 0.576 nan 8.310 nan 0.000 0.514 267 E N 1.436 121.656 120.200 0.035 0.000 2.347 267 E HA 0.082 4.436 4.350 0.006 0.000 0.196 267 E C -0.117 176.508 176.600 0.041 0.000 1.008 267 E CA 0.160 56.581 56.400 0.035 0.000 0.852 267 E CB -0.277 29.445 29.700 0.036 0.000 0.783 267 E HN 0.564 nan 8.360 nan 0.000 0.505 268 N N 1.407 120.137 118.700 0.049 0.000 2.493 268 N HA 0.245 4.989 4.740 0.006 0.000 0.275 268 N C -0.207 175.327 175.510 0.039 0.000 1.186 268 N CA -0.023 53.061 53.050 0.058 0.000 0.978 268 N CB 1.026 39.560 38.487 0.080 0.000 1.184 268 N HN -0.060 nan 8.380 nan 0.000 0.487 269 R N -0.143 120.381 120.500 0.040 0.000 2.795 269 R HA 0.749 5.092 4.340 0.006 0.000 0.275 269 R C -1.111 175.207 176.300 0.030 0.000 0.981 269 R CA -0.852 55.266 56.100 0.030 0.000 0.917 269 R CB 1.829 32.149 30.300 0.033 0.000 1.202 269 R HN 0.214 nan 8.270 nan 0.000 0.469 270 V N 0.440 120.365 119.914 0.019 0.000 3.007 270 V HA 0.906 5.029 4.120 0.006 0.000 0.311 270 V C -0.806 175.316 176.094 0.047 0.000 1.120 270 V CA -0.914 61.400 62.300 0.022 0.000 0.980 270 V CB 1.996 33.810 31.823 -0.016 0.000 1.033 270 V HN 0.940 nan 8.190 nan 0.000 0.429 271 A N 2.275 125.136 122.820 0.069 0.000 2.532 271 A HA 1.023 5.347 4.320 0.006 0.000 0.290 271 A C -1.830 175.817 177.584 0.105 0.000 1.143 271 A CA -0.661 51.452 52.037 0.127 0.000 0.728 271 A CB 2.014 21.075 19.000 0.102 0.000 1.317 271 A HN 1.270 nan 8.150 nan 0.000 0.414 272 L N 0.525 121.833 121.223 0.142 0.000 2.470 272 L HA 0.722 5.065 4.340 0.006 0.000 0.268 272 L C -1.723 175.221 176.870 0.124 0.000 0.964 272 L CA -0.284 54.630 54.840 0.123 0.000 0.839 272 L CB 2.029 44.167 42.059 0.131 0.000 1.276 272 L HN 0.456 nan 8.230 nan 0.000 0.403 273 V N 3.920 123.896 119.914 0.103 0.000 2.407 273 V HA 0.557 4.681 4.120 0.006 0.000 0.291 273 V C 0.009 176.193 176.094 0.149 0.000 1.018 273 V CA -0.345 62.013 62.300 0.096 0.000 0.842 273 V CB 1.732 33.572 31.823 0.028 0.000 0.996 273 V HN 0.849 nan 8.190 nan 0.000 0.426 274 T N 5.643 120.299 114.554 0.171 0.000 2.829 274 T HA 0.691 5.045 4.350 0.006 0.000 0.282 274 T C -0.821 173.931 174.700 0.087 0.000 0.990 274 T CA -0.173 62.025 62.100 0.164 0.000 1.028 274 T CB 0.817 69.835 68.868 0.251 0.000 0.951 274 T HN 0.694 nan 8.240 nan 0.000 0.460 275 Y N 0.664 120.813 120.300 -0.251 0.000 2.588 275 Y HA 0.891 5.445 4.550 0.006 0.000 0.343 275 Y C -0.262 175.246 175.900 -0.654 0.000 1.065 275 Y CA -1.318 56.507 58.100 -0.459 0.000 1.038 275 Y CB 0.884 39.188 38.460 -0.260 0.000 1.297 275 Y HN 0.697 nan 8.280 nan 0.000 0.467 276 A N 0.786 123.208 122.820 -0.663 0.000 1.905 276 A HA 0.353 4.677 4.320 0.006 0.000 0.173 276 A C 0.982 178.543 177.584 -0.038 0.000 1.379 276 A CA 0.245 52.029 52.037 -0.423 0.000 2.322 276 A CB -0.438 18.278 19.000 -0.474 0.000 2.641 276 A HN 0.675 nan 8.150 nan 0.000 1.109 277 S N -0.299 115.439 115.700 0.063 0.000 2.481 277 S HA 0.196 4.669 4.470 0.006 0.000 0.231 277 S C 0.666 175.399 174.600 0.221 0.000 0.996 277 S CA 1.523 59.830 58.200 0.177 0.000 0.942 277 S CB -0.214 63.103 63.200 0.194 0.000 0.768 277 S HN 0.921 nan 8.310 nan 0.000 0.520 278 T N 0.100 114.692 114.554 0.063 0.000 2.731 278 T HA 0.443 4.796 4.350 0.006 0.000 0.300 278 T C -1.528 173.097 174.700 -0.125 0.000 1.283 278 T CA -0.825 61.166 62.100 -0.181 0.000 1.005 278 T CB 0.542 68.894 68.868 -0.861 0.000 1.420 278 T HN -0.173 nan 8.240 nan 0.000 0.503 279 I N 3.122 123.603 120.570 -0.149 0.000 2.533 279 I HA 0.229 4.403 4.170 0.006 0.000 0.284 279 I C 0.022 176.248 176.117 0.181 0.000 1.109 279 I CA -0.278 61.004 61.300 -0.030 0.000 1.412 279 I CB -0.290 37.672 38.000 -0.064 0.000 1.396 279 I HN 0.504 nan 8.210 nan 0.000 0.543 280 F N 6.278 126.236 119.950 0.013 0.000 2.566 280 F HA 0.150 4.681 4.527 0.006 0.000 0.349 280 F C 1.026 176.809 175.800 -0.028 0.000 1.245 280 F CA -0.961 57.035 58.000 -0.006 0.000 1.169 280 F CB -0.451 38.601 39.000 0.086 0.000 1.470 280 F HN 0.513 nan 8.300 nan 0.000 0.634 281 D N -1.056 119.399 120.400 0.091 0.000 2.527 281 D HA 0.217 4.861 4.640 0.006 0.000 0.224 281 D C 1.554 177.830 176.300 -0.039 0.000 1.217 281 D CA 0.424 54.438 54.000 0.022 0.000 0.819 281 D CB 0.277 41.086 40.800 0.014 0.000 1.061 281 D HN 0.552 nan 8.370 nan 0.000 0.515 282 G N 0.489 109.234 108.800 -0.093 0.000 2.217 282 G HA2 -0.276 3.687 3.960 0.006 0.000 0.246 282 G HA3 -0.276 3.687 3.960 0.006 0.000 0.246 282 G C 0.569 175.421 174.900 -0.080 0.000 0.990 282 G CA 0.464 45.494 45.100 -0.117 0.000 0.627 282 G HN 0.817 nan 8.290 nan 0.000 0.522 283 T N -1.258 113.274 114.554 -0.036 0.000 2.849 283 T HA 0.576 4.930 4.350 0.006 0.000 0.284 283 T C 0.201 174.923 174.700 0.036 0.000 1.004 283 T CA 0.205 62.310 62.100 0.009 0.000 1.021 283 T CB 2.233 71.129 68.868 0.048 0.000 1.013 283 T HN 0.420 nan 8.240 nan 0.000 0.527 284 E N 0.392 120.629 120.200 0.061 0.000 2.360 284 E HA 0.386 4.740 4.350 0.006 0.000 0.269 284 E C -1.362 175.381 176.600 0.237 0.000 1.022 284 E CA -0.435 56.017 56.400 0.086 0.000 0.887 284 E CB 0.342 30.074 29.700 0.053 0.000 0.990 284 E HN 0.528 nan 8.360 nan 0.000 0.426 285 F N 1.752 121.740 119.950 0.064 0.000 2.626 285 F HA 0.405 4.935 4.527 0.006 0.000 0.311 285 F C -0.983 174.999 175.800 0.304 0.000 1.088 285 F CA -0.471 57.646 58.000 0.195 0.000 0.949 285 F CB 2.371 41.532 39.000 0.269 0.000 1.322 285 F HN 0.267 nan 8.300 nan 0.000 0.461 286 T N 3.851 118.083 114.554 -0.537 0.000 2.848 286 T HA 0.643 4.997 4.350 0.006 0.000 0.285 286 T C -1.109 173.268 174.700 -0.538 0.000 0.995 286 T CA -0.585 61.274 62.100 -0.401 0.000 0.970 286 T CB 1.391 69.899 68.868 -0.601 0.000 0.976 286 T HN 0.588 nan 8.240 nan 0.000 0.441 287 V N 0.681 120.400 119.914 -0.325 0.000 2.864 287 V HA 0.745 4.869 4.120 0.006 0.000 0.314 287 V C -0.531 175.456 176.094 -0.179 0.000 1.073 287 V CA -1.050 61.099 62.300 -0.252 0.000 0.956 287 V CB 1.994 33.588 31.823 -0.381 0.000 1.023 287 V HN 0.833 nan 8.190 nan 0.000 0.435 288 E N 1.962 122.119 120.200 -0.072 0.000 2.202 288 E HA 0.660 5.014 4.350 0.006 0.000 0.272 288 E C -1.028 175.588 176.600 0.027 0.000 0.951 288 E CA -0.999 55.382 56.400 -0.031 0.000 0.813 288 E CB 2.025 31.735 29.700 0.018 0.000 1.151 288 E HN 0.580 nan 8.360 nan 0.000 0.398 289 K N 0.296 120.730 120.400 0.057 0.000 2.466 289 K HA 0.728 5.051 4.320 0.006 0.000 0.260 289 K C -0.181 176.481 176.600 0.102 0.000 1.011 289 K CA -0.629 55.730 56.287 0.120 0.000 0.871 289 K CB 1.986 34.630 32.500 0.239 0.000 1.404 289 K HN 0.801 nan 8.250 nan 0.000 0.450 290 G N -0.576 108.309 108.800 0.142 0.000 2.525 290 G HA2 -0.006 3.958 3.960 0.006 0.000 0.685 290 G HA3 -0.006 3.958 3.960 0.006 0.000 0.685 290 G C -0.651 174.324 174.900 0.125 0.000 1.290 290 G CA -0.430 44.738 45.100 0.112 0.000 0.915 290 G HN 0.662 nan 8.290 nan 0.000 0.548 291 V N -2.729 117.223 119.914 0.064 0.000 3.417 291 V HA 1.092 5.216 4.120 0.006 0.000 0.297 291 V C 0.749 176.855 176.094 0.020 0.000 1.271 291 V CA 0.162 62.486 62.300 0.040 0.000 1.012 291 V CB 1.076 32.855 31.823 -0.074 0.000 1.241 291 V HN 2.864 nan 8.190 nan 0.000 0.477 292 A N 0.307 123.125 122.820 -0.002 0.000 2.587 292 A HA 0.769 5.093 4.320 0.006 0.000 0.293 292 A C -1.054 176.542 177.584 0.021 0.000 1.087 292 A CA -0.149 51.903 52.037 0.026 0.000 0.692 292 A CB 1.426 20.443 19.000 0.029 0.000 1.291 292 A HN 1.211 nan 8.150 nan 0.000 0.407 293 D N 0.100 120.542 120.400 0.070 0.000 2.447 293 D HA 0.238 4.881 4.640 0.006 0.000 0.265 293 D C 0.512 176.844 176.300 0.054 0.000 1.250 293 D CA -0.287 53.762 54.000 0.082 0.000 1.046 293 D CB 0.417 41.302 40.800 0.143 0.000 1.095 293 D HN 0.422 nan 8.370 nan 0.000 0.555 294 K N -1.081 119.364 120.400 0.075 0.000 2.362 294 K HA 0.002 4.325 4.320 0.006 0.000 0.200 294 K C 0.725 177.336 176.600 0.018 0.000 1.046 294 K CA 0.604 56.917 56.287 0.042 0.000 0.952 294 K CB -0.123 32.415 32.500 0.063 0.000 0.753 294 K HN 0.309 nan 8.250 nan 0.000 0.466 295 N N 0.005 118.715 118.700 0.017 0.000 2.322 295 N HA 0.027 4.770 4.740 0.006 0.000 0.194 295 N C 0.730 176.230 175.510 -0.018 0.000 1.126 295 N CA 0.789 53.836 53.050 -0.005 0.000 0.845 295 N CB 1.172 39.651 38.487 -0.013 0.000 0.976 295 N HN 0.309 nan 8.380 nan 0.000 0.475 296 G N 1.280 110.073 108.800 -0.011 0.000 2.148 296 G HA2 -0.337 3.626 3.960 0.006 0.000 0.254 296 G HA3 -0.337 3.626 3.960 0.006 0.000 0.254 296 G C 0.193 175.084 174.900 -0.015 0.000 0.981 296 G CA 0.484 45.575 45.100 -0.015 0.000 0.670 296 G HN 0.441 nan 8.290 nan 0.000 0.528 297 K N 1.269 121.654 120.400 -0.024 0.000 2.379 297 K HA 0.457 4.780 4.320 0.006 0.000 0.284 297 K C 0.903 177.530 176.600 0.044 0.000 1.044 297 K CA -0.466 55.781 56.287 -0.067 0.000 0.974 297 K CB 0.395 32.772 32.500 -0.206 0.000 0.962 297 K HN 0.175 nan 8.250 nan 0.000 0.474 298 R N 3.870 124.391 120.500 0.036 0.000 2.490 298 R HA 0.474 4.818 4.340 0.006 0.000 0.278 298 R C -0.311 176.102 176.300 0.188 0.000 1.069 298 R CA -0.599 55.550 56.100 0.082 0.000 1.080 298 R CB 0.119 30.439 30.300 0.034 0.000 1.030 298 R HN 0.825 nan 8.270 nan 0.000 0.491 299 L N -0.691 120.593 121.223 0.102 0.000 2.556 299 L HA 0.495 4.839 4.340 0.006 0.000 0.257 299 L C -1.039 175.802 176.870 -0.048 0.000 0.955 299 L CA -1.123 53.743 54.840 0.044 0.000 0.850 299 L CB 2.189 44.144 42.059 -0.174 0.000 1.398 299 L HN 0.273 nan 8.230 nan 0.000 0.412 300 N N 1.926 120.607 118.700 -0.032 0.000 2.439 300 N HA 0.183 4.927 4.740 0.006 0.000 0.249 300 N C -0.155 175.334 175.510 -0.035 0.000 1.003 300 N CA -0.203 52.859 53.050 0.019 0.000 0.942 300 N CB 1.283 39.823 38.487 0.087 0.000 1.115 300 N HN 0.876 nan 8.380 nan 0.000 0.505 301 D N 0.833 121.210 120.400 -0.038 0.000 2.336 301 D HA -0.058 4.585 4.640 0.006 0.000 0.229 301 D C 0.288 176.707 176.300 0.199 0.000 1.061 301 D CA -0.052 53.962 54.000 0.023 0.000 0.875 301 D CB -0.172 40.664 40.800 0.059 0.000 0.904 301 D HN 0.248 nan 8.370 nan 0.000 0.525 302 S N 0.662 116.491 115.700 0.214 0.000 2.549 302 S HA 0.151 4.624 4.470 0.006 0.000 0.279 302 S C 1.337 175.982 174.600 0.075 0.000 1.321 302 S CA -0.818 57.496 58.200 0.190 0.000 1.054 302 S CB 0.575 64.028 63.200 0.421 0.000 0.899 302 S HN 0.304 nan 8.310 nan 0.000 0.497 303 L N 3.076 124.170 121.223 -0.216 0.000 2.551 303 L HA 0.299 4.643 4.340 0.006 0.000 0.228 303 L C 0.954 177.624 176.870 -0.334 0.000 1.153 303 L CA 1.197 55.869 54.840 -0.280 0.000 0.851 303 L CB -0.616 41.210 42.059 -0.387 0.000 0.959 303 L HN 0.558 nan 8.230 nan 0.000 0.451 304 F N -0.989 118.911 119.950 -0.083 0.000 2.743 304 F HA 0.276 4.806 4.527 0.006 0.000 0.297 304 F C 0.285 175.686 175.800 -0.666 0.000 1.131 304 F CA -0.510 57.219 58.000 -0.453 0.000 1.426 304 F CB -0.510 38.100 39.000 -0.650 0.000 1.116 304 F HN 0.097 nan 8.300 nan 0.000 0.583 305 W N -1.060 120.371 121.300 0.218 0.000 3.033 305 W HA 0.356 5.019 4.660 0.006 0.000 0.336 305 W C -0.095 176.482 176.519 0.097 0.000 1.173 305 W CA -1.182 56.272 57.345 0.182 0.000 1.185 305 W CB 0.433 30.047 29.460 0.256 0.000 1.425 305 W HN -0.466 nan 8.180 nan 0.000 0.536 306 N N 0.756 119.621 118.700 0.275 0.000 2.381 306 N HA -0.079 4.664 4.740 0.006 0.000 0.241 306 N C 0.884 176.401 175.510 0.012 0.000 1.279 306 N CA 0.133 53.227 53.050 0.074 0.000 0.896 306 N CB 0.439 38.867 38.487 -0.099 0.000 1.118 306 N HN 0.495 nan 8.380 nan 0.000 0.438 307 Y N -0.081 120.252 120.300 0.055 0.000 2.403 307 Y HA -0.056 4.497 4.550 0.006 0.000 0.291 307 Y C 1.131 177.009 175.900 -0.037 0.000 1.143 307 Y CA 1.100 59.154 58.100 -0.077 0.000 1.257 307 Y CB -0.511 37.808 38.460 -0.234 0.000 0.984 307 Y HN 0.510 nan 8.280 nan 0.000 0.550 308 D N 0.054 120.182 120.400 -0.454 0.000 2.328 308 D HA -0.041 4.602 4.640 0.006 0.000 0.226 308 D C 0.398 176.585 176.300 -0.187 0.000 1.066 308 D CA 0.046 53.919 54.000 -0.212 0.000 0.861 308 D CB -0.414 40.224 40.800 -0.269 0.000 0.912 308 D HN 0.478 nan 8.370 nan 0.000 0.521 309 Q N 1.165 120.850 119.800 -0.193 0.000 2.844 309 Q HA 0.175 4.519 4.340 0.006 0.000 0.235 309 Q C 0.526 176.260 176.000 -0.442 0.000 1.336 309 Q CA 0.010 55.610 55.803 -0.337 0.000 1.026 309 Q CB -0.142 28.441 28.738 -0.257 0.000 1.513 309 Q HN 0.189 nan 8.270 nan 0.000 0.577 310 T N -2.078 112.265 114.554 -0.351 0.000 3.086 310 T HA 0.215 4.569 4.350 0.006 0.000 0.250 310 T C 0.531 175.028 174.700 -0.337 0.000 1.074 310 T CA 0.261 62.211 62.100 -0.250 0.000 0.988 310 T CB 0.164 68.965 68.868 -0.111 0.000 0.988 310 T HN 0.362 nan 8.240 nan 0.000 0.530 311 S N 0.049 115.415 115.700 -0.558 0.000 2.618 311 S HA 0.801 5.275 4.470 0.006 0.000 0.277 311 S C -1.660 172.454 174.600 -0.810 0.000 1.138 311 S CA -0.991 56.897 58.200 -0.519 0.000 0.844 311 S CB 1.460 64.442 63.200 -0.362 0.000 1.127 311 S HN 0.157 nan 8.310 nan 0.000 0.474 312 F N 0.095 119.891 119.950 -0.258 0.000 2.569 312 F HA 0.656 5.187 4.527 0.006 0.000 0.312 312 F C 0.007 175.825 175.800 0.030 0.000 1.109 312 F CA -0.343 57.566 58.000 -0.151 0.000 0.919 312 F CB 2.873 41.762 39.000 -0.185 0.000 1.211 312 F HN 0.659 nan 8.300 nan 0.000 0.446 313 T N 1.277 115.985 114.554 0.257 0.000 2.881 313 T HA 0.683 5.036 4.350 0.006 0.000 0.290 313 T C -0.744 174.050 174.700 0.157 0.000 1.000 313 T CA -0.683 61.541 62.100 0.206 0.000 0.978 313 T CB 2.013 70.898 68.868 0.028 0.000 0.997 313 T HN 0.747 nan 8.240 nan 0.000 0.443 314 T N 2.067 116.652 114.554 0.052 0.000 2.700 314 T HA 0.396 4.749 4.350 0.006 0.000 0.307 314 T C -1.525 173.066 174.700 -0.181 0.000 1.580 314 T CA -0.781 61.248 62.100 -0.118 0.000 0.992 314 T CB 0.957 69.684 68.868 -0.235 0.000 1.577 314 T HN 0.493 nan 8.240 nan 0.000 0.496 315 N N 1.932 120.525 118.700 -0.178 0.000 2.514 315 N HA 0.428 5.171 4.740 0.006 0.000 0.277 315 N C 0.236 175.549 175.510 -0.330 0.000 1.126 315 N CA -0.152 52.788 53.050 -0.183 0.000 0.978 315 N CB 1.213 39.618 38.487 -0.137 0.000 1.106 315 N HN 0.734 nan 8.380 nan 0.000 0.461 316 T N -0.581 113.772 114.554 -0.336 0.000 2.788 316 T HA 0.253 4.607 4.350 0.006 0.000 0.287 316 T C 0.362 174.754 174.700 -0.513 0.000 1.007 316 T CA -0.699 61.081 62.100 -0.533 0.000 1.005 316 T CB 0.604 69.204 68.868 -0.447 0.000 1.012 316 T HN 0.067 nan 8.240 nan 0.000 0.530 317 K N 1.378 121.335 120.400 -0.739 0.000 2.295 317 K HA 0.160 4.483 4.320 0.006 0.000 0.270 317 K C -0.276 175.951 176.600 -0.622 0.000 1.011 317 K CA -0.365 55.466 56.287 -0.761 0.000 0.953 317 K CB 0.548 32.291 32.500 -1.261 0.000 0.956 317 K HN 0.744 nan 8.250 nan 0.000 0.477 318 D N 2.310 122.426 120.400 -0.474 0.000 2.494 318 D HA 0.044 4.688 4.640 0.006 0.000 0.217 318 D C -0.531 175.711 176.300 -0.097 0.000 1.153 318 D CA -0.206 53.667 54.000 -0.212 0.000 0.954 318 D CB -0.105 40.629 40.800 -0.110 0.000 1.034 318 D HN 0.248 nan 8.370 nan 0.000 0.518 319 Y N 0.709 121.067 120.300 0.097 0.000 2.658 319 Y HA 0.310 4.864 4.550 0.006 0.000 0.276 319 Y C 0.476 176.452 175.900 0.127 0.000 1.167 319 Y CA -0.601 57.570 58.100 0.118 0.000 1.230 319 Y CB 0.142 38.703 38.460 0.169 0.000 1.144 319 Y HN 0.082 nan 8.280 nan 0.000 0.529 320 S N -0.683 115.159 115.700 0.237 0.000 2.621 320 S HA 0.471 4.945 4.470 0.006 0.000 0.302 320 S C -1.706 173.010 174.600 0.194 0.000 1.093 320 S CA -0.548 57.765 58.200 0.189 0.000 1.017 320 S CB 1.752 65.028 63.200 0.127 0.000 1.077 320 S HN 0.165 nan 8.310 nan 0.000 0.517 321 Y N 1.890 122.223 120.300 0.055 0.000 2.535 321 Y HA 0.414 4.968 4.550 0.006 0.000 0.341 321 Y C -0.340 175.572 175.900 0.021 0.000 1.041 321 Y CA -0.381 57.740 58.100 0.034 0.000 1.307 321 Y CB 0.190 38.668 38.460 0.031 0.000 1.095 321 Y HN 0.567 nan 8.280 nan 0.000 0.534 322 L N 4.942 126.077 121.223 -0.147 0.000 2.715 322 L HA 0.251 4.595 4.340 0.006 0.000 0.238 322 L C 0.221 177.053 176.870 -0.062 0.000 1.212 322 L CA 0.284 55.088 54.840 -0.061 0.000 1.017 322 L CB -0.131 41.882 42.059 -0.077 0.000 1.269 322 L HN 0.344 nan 8.230 nan 0.000 0.452 323 K N 1.127 121.511 120.400 -0.027 0.000 2.507 323 K HA 0.387 4.711 4.320 0.006 0.000 0.252 323 K C -0.621 176.089 176.600 0.183 0.000 0.943 323 K CA -0.700 55.611 56.287 0.039 0.000 0.808 323 K CB 1.742 34.216 32.500 -0.044 0.000 1.142 323 K HN 0.022 nan 8.250 nan 0.000 0.426 324 L N 3.057 124.341 121.223 0.102 0.000 2.513 324 L HA 0.079 4.422 4.340 0.006 0.000 0.272 324 L C 0.405 177.336 176.870 0.101 0.000 1.187 324 L CA 0.716 55.609 54.840 0.088 0.000 0.895 324 L CB 0.815 42.900 42.059 0.045 0.000 1.147 324 L HN 0.672 nan 8.230 nan 0.000 0.483 325 T N 1.761 116.368 114.554 0.087 0.000 2.923 325 T HA 0.361 4.715 4.350 0.006 0.000 0.311 325 T C -0.005 174.707 174.700 0.019 0.000 1.183 325 T CA -0.783 61.359 62.100 0.069 0.000 1.020 325 T CB 1.132 70.061 68.868 0.101 0.000 1.165 325 T HN 0.713 nan 8.240 nan 0.000 0.482 326 N N 1.977 120.686 118.700 0.015 0.000 2.194 326 N HA 0.127 4.871 4.740 0.006 0.000 0.231 326 N C -0.359 175.147 175.510 -0.005 0.000 1.247 326 N CA -0.462 52.589 53.050 0.001 0.000 0.884 326 N CB 0.380 38.874 38.487 0.012 0.000 1.146 326 N HN 0.654 nan 8.380 nan 0.000 0.516 327 D N 1.448 121.846 120.400 -0.003 0.000 2.348 327 D HA 0.050 4.694 4.640 0.006 0.000 0.253 327 D C 0.553 176.838 176.300 -0.025 0.000 1.161 327 D CA -0.177 53.821 54.000 -0.004 0.000 0.876 327 D CB 1.218 42.027 40.800 0.014 0.000 1.160 327 D HN -0.182 nan 8.370 nan 0.000 0.459 328 K N 3.569 123.956 120.400 -0.022 0.000 2.113 328 K HA -0.175 4.148 4.320 0.006 0.000 0.208 328 K C 1.508 178.085 176.600 -0.039 0.000 1.047 328 K CA 1.241 57.509 56.287 -0.032 0.000 0.928 328 K CB -0.482 32.005 32.500 -0.023 0.000 0.716 328 K HN 0.572 nan 8.250 nan 0.000 0.446 329 N N 0.653 119.337 118.700 -0.025 0.000 2.142 329 N HA -0.118 4.626 4.740 0.006 0.000 0.186 329 N C 1.251 176.739 175.510 -0.036 0.000 1.023 329 N CA 1.101 54.138 53.050 -0.021 0.000 0.852 329 N CB -0.031 38.455 38.487 -0.001 0.000 0.998 329 N HN 0.127 nan 8.380 nan 0.000 0.424 330 D N 0.760 121.136 120.400 -0.040 0.000 2.117 330 D HA -0.089 4.555 4.640 0.006 0.000 0.197 330 D C 1.839 177.971 176.300 -0.281 0.000 0.987 330 D CA 0.770 54.712 54.000 -0.096 0.000 0.829 330 D CB -0.186 40.592 40.800 -0.036 0.000 0.961 330 D HN 0.286 nan 8.370 nan 0.000 0.460 331 I N 0.202 120.651 120.570 -0.202 0.000 2.226 331 I HA -0.227 3.946 4.170 0.006 0.000 0.245 331 I C 2.352 178.364 176.117 -0.175 0.000 1.100 331 I CA 0.521 61.694 61.300 -0.212 0.000 1.374 331 I CB -0.127 37.795 38.000 -0.129 0.000 1.057 331 I HN -0.106 nan 8.210 nan 0.000 0.413 332 V N 0.695 120.540 119.914 -0.114 0.000 2.324 332 V HA -0.340 3.784 4.120 0.006 0.000 0.250 332 V C 2.483 178.532 176.094 -0.076 0.000 1.060 332 V CA 2.298 64.552 62.300 -0.078 0.000 1.042 332 V CB -0.654 31.142 31.823 -0.046 0.000 0.650 332 V HN 0.516 nan 8.190 nan 0.000 0.450 333 E N -0.147 119.998 120.200 -0.090 0.000 2.072 333 E HA -0.201 4.152 4.350 0.006 0.000 0.190 333 E C 2.292 178.850 176.600 -0.071 0.000 0.982 333 E CA 1.236 57.613 56.400 -0.037 0.000 0.803 333 E CB -0.083 29.636 29.700 0.031 0.000 0.755 333 E HN 0.595 nan 8.360 nan 0.000 0.453 334 L N 0.992 122.038 121.223 -0.296 0.000 2.012 334 L HA -0.216 4.127 4.340 0.006 0.000 0.210 334 L C 2.242 179.052 176.870 -0.099 0.000 1.073 334 L CA 1.648 56.310 54.840 -0.296 0.000 0.748 334 L CB -0.163 41.505 42.059 -0.652 0.000 0.891 334 L HN 0.040 nan 8.230 nan 0.000 0.431 335 K N -0.140 120.194 120.400 -0.110 0.000 2.097 335 K HA -0.133 4.191 4.320 0.006 0.000 0.206 335 K C 1.716 178.299 176.600 -0.029 0.000 1.049 335 K CA 1.446 57.693 56.287 -0.067 0.000 0.933 335 K CB -0.208 32.248 32.500 -0.074 0.000 0.717 335 K HN 0.384 nan 8.250 nan 0.000 0.442 336 N N 0.995 119.687 118.700 -0.012 0.000 2.520 336 N HA -0.101 4.643 4.740 0.006 0.000 0.185 336 N C 0.973 176.523 175.510 0.066 0.000 1.068 336 N CA 0.994 54.056 53.050 0.020 0.000 0.911 336 N CB 0.157 38.660 38.487 0.026 0.000 0.961 336 N HN 0.225 nan 8.380 nan 0.000 0.446 337 K N 0.021 120.474 120.400 0.089 0.000 2.356 337 K HA 0.139 4.462 4.320 0.006 0.000 0.195 337 K C 0.064 176.755 176.600 0.151 0.000 1.037 337 K CA -0.045 56.349 56.287 0.179 0.000 1.014 337 K CB 0.608 33.239 32.500 0.218 0.000 0.815 337 K HN -0.102 nan 8.250 nan 0.000 0.507 338 V N 5.301 125.240 119.914 0.040 0.000 2.509 338 V HA -0.020 4.103 4.120 0.006 0.000 0.297 338 V C -1.963 174.028 176.094 -0.171 0.000 1.014 338 V CA -0.971 61.303 62.300 -0.043 0.000 1.127 338 V CB -0.102 31.691 31.823 -0.050 0.000 0.925 338 V HN 0.159 nan 8.190 nan 0.000 0.480 339 P HA 0.201 nan 4.420 nan 0.000 0.279 339 P C 0.288 177.405 177.300 -0.305 0.000 1.239 339 P CA -0.181 62.516 63.100 -0.672 0.000 0.789 339 P CB 1.069 32.076 31.700 -1.155 0.000 0.933 340 T N -2.051 112.375 114.554 -0.213 0.000 3.132 340 T HA 0.273 4.627 4.350 0.006 0.000 0.274 340 T C 0.170 174.819 174.700 -0.085 0.000 1.011 340 T CA -0.244 61.785 62.100 -0.118 0.000 0.899 340 T CB 0.087 68.912 68.868 -0.073 0.000 1.089 340 T HN 0.294 nan 8.240 nan 0.000 0.543 341 E N 0.444 120.584 120.200 -0.099 0.000 2.429 341 E HA 0.795 5.149 4.350 0.006 0.000 0.276 341 E C -0.978 175.612 176.600 -0.016 0.000 0.953 341 E CA -0.930 55.450 56.400 -0.033 0.000 0.787 341 E CB 2.376 32.084 29.700 0.013 0.000 1.307 341 E HN 0.293 nan 8.360 nan 0.000 0.458 342 A N 0.589 123.428 122.820 0.033 0.000 2.483 342 A HA 0.552 4.876 4.320 0.006 0.000 0.286 342 A C -0.753 176.895 177.584 0.107 0.000 1.207 342 A CA -0.595 51.495 52.037 0.088 0.000 0.764 342 A CB 1.181 20.213 19.000 0.054 0.000 1.341 342 A HN 0.474 nan 8.150 nan 0.000 0.428 343 E N 0.331 120.616 120.200 0.142 0.000 2.265 343 E HA 0.220 4.574 4.350 0.006 0.000 0.272 343 E C -0.437 176.248 176.600 0.141 0.000 1.067 343 E CA 0.087 56.592 56.400 0.175 0.000 0.900 343 E CB 0.411 30.239 29.700 0.212 0.000 1.017 343 E HN 0.434 nan 8.360 nan 0.000 0.431 344 D N 3.047 123.478 120.400 0.053 0.000 2.249 344 D HA -0.027 4.616 4.640 0.006 0.000 0.205 344 D C -0.066 176.139 176.300 -0.158 0.000 0.962 344 D CA 0.665 54.605 54.000 -0.100 0.000 0.860 344 D CB -0.119 40.527 40.800 -0.256 0.000 0.955 344 D HN 0.585 nan 8.370 nan 0.000 0.505 345 H N 0.582 119.702 119.070 0.082 0.000 2.581 345 H HA 0.159 4.719 4.556 0.006 0.000 0.369 345 H C 0.567 175.896 175.328 0.001 0.000 1.351 345 H CA -0.143 55.909 56.048 0.006 0.000 1.434 345 H CB 0.623 30.361 29.762 -0.040 0.000 1.558 345 H HN -0.151 nan 8.280 nan 0.000 0.608 346 D N -0.570 119.763 120.400 -0.112 0.000 2.453 346 D HA 0.100 4.743 4.640 0.006 0.000 0.282 346 D C 1.732 177.443 176.300 -0.982 0.000 1.222 346 D CA -0.001 53.691 54.000 -0.513 0.000 1.079 346 D CB -0.145 40.463 40.800 -0.319 0.000 1.128 346 D HN 0.739 nan 8.370 nan 0.000 0.568 347 G N 0.118 108.206 108.800 -1.187 0.000 2.653 347 G HA2 -0.205 3.758 3.960 0.006 0.000 0.212 347 G HA3 -0.205 3.758 3.960 0.006 0.000 0.212 347 G C 0.981 175.652 174.900 -0.382 0.000 1.138 347 G CA 0.304 44.971 45.100 -0.723 0.000 0.782 347 G HN 0.471 nan 8.290 nan 0.000 0.535 348 N N 0.067 118.153 118.700 -1.024 0.000 2.457 348 N HA -0.014 4.730 4.740 0.006 0.000 0.180 348 N C 0.532 175.830 175.510 -0.354 0.000 1.050 348 N CA 0.210 52.725 53.050 -0.891 0.000 0.906 348 N CB 0.082 37.924 38.487 -1.076 0.000 0.968 348 N HN 0.006 nan 8.380 nan 0.000 0.445 349 R N 1.168 121.580 120.500 -0.147 0.000 2.357 349 R HA 0.131 4.475 4.340 0.006 0.000 0.296 349 R C 1.322 177.793 176.300 0.285 0.000 1.052 349 R CA -0.636 55.491 56.100 0.045 0.000 0.988 349 R CB 1.082 31.403 30.300 0.035 0.000 1.025 349 R HN 0.142 nan 8.270 nan 0.000 0.469 350 L N 3.226 124.648 121.223 0.332 0.000 2.013 350 L HA -0.196 4.147 4.340 0.006 0.000 0.212 350 L C 1.602 178.608 176.870 0.227 0.000 1.073 350 L CA 1.943 56.936 54.840 0.255 0.000 0.753 350 L CB -0.215 42.005 42.059 0.268 0.000 0.890 350 L HN 0.508 nan 8.230 nan 0.000 0.432 351 M N -1.797 117.924 119.600 0.200 0.000 2.374 351 M HA -0.183 4.301 4.480 0.006 0.000 0.264 351 M C 2.226 178.710 176.300 0.306 0.000 1.067 351 M CA 1.183 56.608 55.300 0.207 0.000 1.103 351 M CB -1.437 31.203 32.600 0.066 0.000 1.402 351 M HN 0.429 nan 8.290 nan 0.000 0.444 352 Y N 2.517 122.905 120.300 0.147 0.000 2.256 352 Y HA -0.238 4.316 4.550 0.006 0.000 0.288 352 Y C 2.207 178.153 175.900 0.077 0.000 1.155 352 Y CA 1.669 59.843 58.100 0.123 0.000 1.203 352 Y CB -0.083 38.432 38.460 0.093 0.000 0.980 352 Y HN 0.270 nan 8.280 nan 0.000 0.530 353 Q N -0.893 118.983 119.800 0.128 0.000 2.437 353 Q HA -0.127 4.217 4.340 0.006 0.000 0.210 353 Q C 1.076 176.904 176.000 -0.287 0.000 0.972 353 Q CA 1.121 56.798 55.803 -0.211 0.000 0.903 353 Q CB -0.505 27.764 28.738 -0.780 0.000 0.967 353 Q HN 0.583 nan 8.270 nan 0.000 0.486 354 F N -0.677 119.297 119.950 0.039 0.000 2.641 354 F HA 0.312 4.843 4.527 0.006 0.000 0.302 354 F C 1.549 177.474 175.800 0.208 0.000 1.098 354 F CA -0.133 57.972 58.000 0.175 0.000 1.318 354 F CB 0.622 39.757 39.000 0.224 0.000 1.035 354 F HN -0.048 nan 8.300 nan 0.000 0.551 355 G N -0.014 108.862 108.800 0.127 0.000 3.820 355 G HA2 0.526 4.490 3.960 0.006 0.000 0.293 355 G HA3 0.526 4.490 3.960 0.006 0.000 0.293 355 G C 0.490 175.341 174.900 -0.082 0.000 1.152 355 G CA 0.226 45.355 45.100 0.048 0.000 0.921 355 G HN 0.299 nan 8.290 nan 0.000 0.544 356 A N -0.054 122.731 122.820 -0.059 0.000 2.529 356 A HA 0.785 5.109 4.320 0.006 0.000 0.269 356 A C 0.380 177.940 177.584 -0.039 0.000 1.509 356 A CA -0.151 51.843 52.037 -0.071 0.000 0.857 356 A CB 0.506 19.457 19.000 -0.082 0.000 1.531 356 A HN 0.172 nan 8.150 nan 0.000 0.541 357 T N 0.754 115.299 114.554 -0.014 0.000 3.150 357 T HA 0.347 4.701 4.350 0.006 0.000 0.383 357 T C -1.131 173.669 174.700 0.167 0.000 1.313 357 T CA 0.043 62.194 62.100 0.084 0.000 1.235 357 T CB -0.091 68.813 68.868 0.059 0.000 1.088 357 T HN 0.389 nan 8.240 nan 0.000 0.556 358 F N 3.322 123.307 119.950 0.059 0.000 2.441 358 F HA 0.331 4.862 4.527 0.006 0.000 0.337 358 F C 1.323 177.061 175.800 -0.103 0.000 1.182 358 F CA -1.393 56.564 58.000 -0.072 0.000 1.279 358 F CB -0.386 38.528 39.000 -0.144 0.000 1.614 358 F HN 0.354 nan 8.300 nan 0.000 0.574 359 T N 1.394 116.099 114.554 0.251 0.000 2.746 359 T HA -0.243 4.111 4.350 0.006 0.000 0.267 359 T C 1.921 176.527 174.700 -0.156 0.000 1.039 359 T CA 1.678 63.795 62.100 0.029 0.000 1.142 359 T CB -0.089 68.948 68.868 0.281 0.000 0.866 359 T HN 0.589 nan 8.240 nan 0.000 0.444 360 Q N 0.892 120.676 119.800 -0.027 0.000 2.135 360 Q HA -0.175 4.168 4.340 0.006 0.000 0.204 360 Q C 2.317 177.982 176.000 -0.558 0.000 0.981 360 Q CA 1.555 57.220 55.803 -0.229 0.000 0.856 360 Q CB -0.099 28.581 28.738 -0.097 0.000 0.902 360 Q HN 0.446 nan 8.270 nan 0.000 0.425 361 K N -0.586 119.273 120.400 -0.902 0.000 2.097 361 K HA -0.115 4.208 4.320 0.006 0.000 0.205 361 K C 1.869 178.110 176.600 -0.599 0.000 1.050 361 K CA 1.014 56.748 56.287 -0.920 0.000 0.938 361 K CB -0.131 31.422 32.500 -1.580 0.000 0.718 361 K HN 0.265 nan 8.250 nan 0.000 0.442 362 A N 1.197 123.614 122.820 -0.671 0.000 1.873 362 A HA -0.091 4.232 4.320 0.006 0.000 0.215 362 A C 2.073 179.392 177.584 -0.442 0.000 1.186 362 A CA 1.096 52.737 52.037 -0.660 0.000 0.616 362 A CB -0.592 17.583 19.000 -1.375 0.000 0.823 362 A HN 0.289 nan 8.150 nan 0.000 0.442 363 L N -1.062 119.942 121.223 -0.364 0.000 2.042 363 L HA -0.251 4.093 4.340 0.006 0.000 0.210 363 L C 2.867 179.716 176.870 -0.035 0.000 1.076 363 L CA 1.695 56.470 54.840 -0.109 0.000 0.749 363 L CB -0.532 41.611 42.059 0.140 0.000 0.893 363 L HN 0.425 nan 8.230 nan 0.000 0.432 364 M N -0.568 118.927 119.600 -0.175 0.000 2.108 364 M HA -0.251 4.232 4.480 0.006 0.000 0.261 364 M C 2.328 178.571 176.300 -0.096 0.000 1.066 364 M CA 1.674 56.895 55.300 -0.132 0.000 1.107 364 M CB -0.343 32.078 32.600 -0.298 0.000 1.356 364 M HN 0.002 nan 8.290 nan 0.000 0.406 365 K N 0.812 121.120 120.400 -0.153 0.000 2.057 365 K HA -0.029 4.295 4.320 0.006 0.000 0.206 365 K C 1.851 178.399 176.600 -0.087 0.000 1.050 365 K CA 1.809 58.026 56.287 -0.117 0.000 0.935 365 K CB -0.581 31.837 32.500 -0.138 0.000 0.715 365 K HN 0.266 nan 8.250 nan 0.000 0.439 366 A N 0.709 123.469 122.820 -0.101 0.000 1.877 366 A HA -0.190 4.134 4.320 0.006 0.000 0.216 366 A C 2.063 179.595 177.584 -0.086 0.000 1.186 366 A CA 2.154 54.133 52.037 -0.098 0.000 0.620 366 A CB -1.000 17.931 19.000 -0.115 0.000 0.822 366 A HN 0.522 nan 8.150 nan 0.000 0.443 367 D N -0.570 119.825 120.400 -0.008 0.000 2.117 367 D HA -0.195 4.449 4.640 0.006 0.000 0.197 367 D C 1.932 178.257 176.300 0.042 0.000 0.987 367 D CA 1.564 55.611 54.000 0.078 0.000 0.829 367 D CB -0.214 40.674 40.800 0.146 0.000 0.961 367 D HN 0.648 nan 8.370 nan 0.000 0.460 368 E N -0.212 119.992 120.200 0.007 0.000 2.038 368 E HA -0.181 4.172 4.350 0.006 0.000 0.195 368 E C 2.357 178.949 176.600 -0.015 0.000 1.000 368 E CA 1.097 57.493 56.400 -0.005 0.000 0.803 368 E CB -0.214 29.471 29.700 -0.026 0.000 0.750 368 E HN 0.364 nan 8.360 nan 0.000 0.448 369 I N 0.827 121.377 120.570 -0.033 0.000 2.127 369 I HA -0.323 3.851 4.170 0.006 0.000 0.241 369 I C 2.536 178.630 176.117 -0.038 0.000 1.075 369 I CA 1.107 62.386 61.300 -0.034 0.000 1.334 369 I CB -0.266 37.711 38.000 -0.037 0.000 1.040 369 I HN 0.232 nan 8.210 nan 0.000 0.405 370 L N -0.202 120.975 121.223 -0.076 0.000 2.056 370 L HA -0.191 4.153 4.340 0.006 0.000 0.207 370 L C 2.647 179.523 176.870 0.010 0.000 1.078 370 L CA 1.499 56.284 54.840 -0.092 0.000 0.749 370 L CB -0.869 41.002 42.059 -0.314 0.000 0.901 370 L HN 0.257 nan 8.230 nan 0.000 0.433 371 T N -0.919 113.665 114.554 0.050 0.000 2.684 371 T HA -0.239 4.114 4.350 0.006 0.000 0.267 371 T C 1.895 176.612 174.700 0.028 0.000 1.036 371 T CA 1.435 63.572 62.100 0.062 0.000 1.148 371 T CB -0.129 68.774 68.868 0.059 0.000 0.863 371 T HN 0.392 nan 8.240 nan 0.000 0.436 372 Q N 0.011 119.818 119.800 0.013 0.000 2.212 372 Q HA 0.078 4.422 4.340 0.006 0.000 0.199 372 Q C 2.131 178.134 176.000 0.005 0.000 0.950 372 Q CA 0.791 56.597 55.803 0.006 0.000 0.863 372 Q CB 0.153 28.890 28.738 -0.002 0.000 0.944 372 Q HN 0.578 nan 8.270 nan 0.000 0.465 373 Q N -0.741 119.061 119.800 0.003 0.000 2.280 373 Q HA 0.292 4.636 4.340 0.006 0.000 0.244 373 Q C -0.026 175.980 176.000 0.009 0.000 0.847 373 Q CA -0.195 55.612 55.803 0.006 0.000 0.945 373 Q CB 1.022 29.763 28.738 0.005 0.000 1.115 373 Q HN 0.098 nan 8.270 nan 0.000 0.513 374 A N 1.654 124.478 122.820 0.007 0.000 2.445 374 A HA 0.246 4.570 4.320 0.006 0.000 0.242 374 A C -0.075 177.520 177.584 0.019 0.000 1.075 374 A CA -0.199 51.844 52.037 0.010 0.000 0.777 374 A CB 0.279 19.283 19.000 0.007 0.000 1.013 374 A HN 0.197 nan 8.150 nan 0.000 0.493 375 R N 0.618 121.131 120.500 0.021 0.000 2.694 375 R HA 0.067 4.411 4.340 0.006 0.000 0.268 375 R C 1.379 177.694 176.300 0.026 0.000 1.061 375 R CA 0.130 56.244 56.100 0.023 0.000 1.133 375 R CB 0.391 30.705 30.300 0.023 0.000 1.020 375 R HN 0.973 nan 8.270 nan 0.000 0.475 376 Q N 1.612 121.425 119.800 0.022 0.000 2.030 376 Q HA -0.175 4.169 4.340 0.006 0.000 0.204 376 Q C -0.184 175.830 176.000 0.023 0.000 0.986 376 Q CA 1.404 57.220 55.803 0.021 0.000 0.843 376 Q CB 0.199 28.946 28.738 0.015 0.000 0.904 376 Q HN 0.461 nan 8.270 nan 0.000 0.420 377 N N 1.473 120.186 118.700 0.022 0.000 2.949 377 N HA 0.115 4.858 4.740 0.006 0.000 0.243 377 N C -1.336 174.190 175.510 0.028 0.000 1.113 377 N CA 0.207 53.270 53.050 0.023 0.000 0.980 377 N CB 1.237 39.736 38.487 0.019 0.000 1.256 377 N HN 0.210 nan 8.380 nan 0.000 0.508 378 S N -0.020 115.700 115.700 0.033 0.000 2.547 378 S HA 0.272 4.746 4.470 0.006 0.000 0.270 378 S C -0.992 173.635 174.600 0.046 0.000 1.150 378 S CA -0.971 57.252 58.200 0.039 0.000 0.850 378 S CB 2.482 65.704 63.200 0.037 0.000 1.118 378 S HN 0.339 nan 8.310 nan 0.000 0.461 379 Q N 0.886 120.717 119.800 0.052 0.000 2.296 379 Q HA 0.439 4.783 4.340 0.006 0.000 0.257 379 Q C -1.202 174.832 176.000 0.055 0.000 0.942 379 Q CA -0.330 55.508 55.803 0.058 0.000 0.939 379 Q CB 0.552 29.330 28.738 0.066 0.000 1.198 379 Q HN 0.583 nan 8.270 nan 0.000 0.429 380 K N 2.481 122.915 120.400 0.056 0.000 2.213 380 K HA 0.504 4.827 4.320 0.006 0.000 0.270 380 K C -1.310 175.255 176.600 -0.058 0.000 1.002 380 K CA -0.506 55.774 56.287 -0.012 0.000 0.868 380 K CB 1.817 34.312 32.500 -0.007 0.000 1.093 380 K HN 0.310 nan 8.250 nan 0.000 0.454 381 V N 4.410 124.266 119.914 -0.097 0.000 2.789 381 V HA 0.497 4.621 4.120 0.006 0.000 0.311 381 V C -0.583 175.428 176.094 -0.137 0.000 1.073 381 V CA -0.905 61.333 62.300 -0.102 0.000 0.921 381 V CB 1.848 33.693 31.823 0.036 0.000 1.009 381 V HN 0.626 nan 8.190 nan 0.000 0.426 382 I N 3.629 124.087 120.570 -0.186 0.000 2.436 382 I HA 0.487 4.660 4.170 0.006 0.000 0.289 382 I C -1.217 174.852 176.117 -0.079 0.000 1.010 382 I CA -0.241 61.011 61.300 -0.079 0.000 1.098 382 I CB 1.761 39.715 38.000 -0.077 0.000 1.266 382 I HN 0.415 nan 8.210 nan 0.000 0.434 383 F N 4.642 124.703 119.950 0.184 0.000 2.385 383 F HA 0.347 4.877 4.527 0.006 0.000 0.360 383 F C 0.317 176.267 175.800 0.251 0.000 1.122 383 F CA -0.356 57.794 58.000 0.249 0.000 1.090 383 F CB 0.696 39.806 39.000 0.183 0.000 1.150 383 F HN 0.437 nan 8.300 nan 0.000 0.472 384 H N 4.719 123.965 119.070 0.294 0.000 2.539 384 H HA 0.588 5.148 4.556 0.006 0.000 0.332 384 H C -1.033 174.448 175.328 0.254 0.000 1.031 384 H CA -0.834 55.358 56.048 0.240 0.000 1.206 384 H CB 1.003 30.874 29.762 0.182 0.000 1.446 384 H HN 0.560 nan 8.280 nan 0.000 0.496 385 I N 4.795 125.599 120.570 0.389 0.000 2.339 385 I HA 0.197 4.370 4.170 0.006 0.000 0.290 385 I C 0.050 176.235 176.117 0.114 0.000 0.994 385 I CA -0.145 61.266 61.300 0.184 0.000 1.191 385 I CB 1.907 39.996 38.000 0.148 0.000 1.343 385 I HN 0.523 nan 8.210 nan 0.000 0.458 386 T N 2.725 117.274 114.554 -0.009 0.000 2.883 386 T HA 0.303 4.657 4.350 0.006 0.000 0.301 386 T C -0.693 174.014 174.700 0.012 0.000 1.158 386 T CA -0.607 61.486 62.100 -0.011 0.000 1.007 386 T CB 1.514 70.341 68.868 -0.068 0.000 1.186 386 T HN 0.710 nan 8.240 nan 0.000 0.499 387 D N 0.657 121.058 120.400 0.002 0.000 2.571 387 D HA 0.394 5.038 4.640 0.006 0.000 0.239 387 D C 0.403 176.715 176.300 0.020 0.000 1.267 387 D CA -0.241 53.768 54.000 0.015 0.000 0.823 387 D CB 0.214 41.013 40.800 -0.001 0.000 1.056 387 D HN 0.847 nan 8.370 nan 0.000 0.494 388 G N -0.186 108.633 108.800 0.032 0.000 2.616 388 G HA2 0.444 4.407 3.960 0.006 0.000 0.294 388 G HA3 0.444 4.407 3.960 0.006 0.000 0.294 388 G C -0.554 174.374 174.900 0.046 0.000 1.489 388 G CA -0.376 44.740 45.100 0.027 0.000 0.836 388 G HN 0.390 nan 8.290 nan 0.000 0.527 389 V N -0.652 119.257 119.914 -0.009 0.000 3.096 389 V HA 0.621 4.744 4.120 0.006 0.000 0.306 389 V C -1.891 174.205 176.094 0.003 0.000 1.088 389 V CA -1.424 60.836 62.300 -0.066 0.000 1.129 389 V CB 0.745 32.416 31.823 -0.253 0.000 1.014 389 V HN 0.632 nan 8.190 nan 0.000 0.486 390 P HA 0.228 nan 4.420 nan 0.000 0.271 390 P C 0.226 177.497 177.300 -0.049 0.000 1.218 390 P CA 0.262 63.352 63.100 -0.017 0.000 0.780 390 P CB 0.953 32.620 31.700 -0.056 0.000 0.901 391 T N -2.225 112.206 114.554 -0.205 0.000 3.209 391 T HA 0.448 4.802 4.350 0.006 0.000 0.295 391 T C 0.340 174.518 174.700 -0.871 0.000 0.977 391 T CA -0.194 61.681 62.100 -0.374 0.000 0.922 391 T CB -0.227 68.537 68.868 -0.174 0.000 1.152 391 T HN 0.280 nan 8.240 nan 0.000 0.527 392 M N 1.575 120.642 119.600 -0.888 0.000 2.520 392 M HA 0.662 5.146 4.480 0.006 0.000 0.283 392 M C -1.321 174.507 176.300 -0.786 0.000 1.237 392 M CA -0.599 54.069 55.300 -1.053 0.000 0.885 392 M CB 2.812 34.794 32.600 -1.031 0.000 1.727 392 M HN 0.290 nan 8.290 nan 0.000 0.468 393 S N -0.351 114.958 115.700 -0.652 0.000 2.587 393 S HA 0.664 5.138 4.470 0.006 0.000 0.269 393 S C -1.756 172.765 174.600 -0.130 0.000 1.154 393 S CA -0.979 57.133 58.200 -0.146 0.000 0.824 393 S CB 1.006 64.344 63.200 0.231 0.000 1.118 393 S HN 0.530 nan 8.310 nan 0.000 0.462 394 Y N 2.107 122.558 120.300 0.250 0.000 2.309 394 Y HA 0.485 5.039 4.550 0.006 0.000 0.327 394 Y C -2.055 174.061 175.900 0.359 0.000 1.172 394 Y CA -1.674 56.572 58.100 0.244 0.000 1.280 394 Y CB 0.646 39.209 38.460 0.171 0.000 1.234 394 Y HN 0.446 nan 8.280 nan 0.000 0.512 395 P HA 0.150 nan 4.420 nan 0.000 0.275 395 P C -0.383 177.101 177.300 0.305 0.000 1.227 395 P CA -0.000 63.228 63.100 0.213 0.000 0.781 395 P CB 0.970 32.611 31.700 -0.100 0.000 0.906 396 I N 2.555 123.245 120.570 0.200 0.000 2.588 396 I HA -0.007 4.167 4.170 0.006 0.000 0.283 396 I C 1.394 177.329 176.117 -0.304 0.000 1.119 396 I CA 0.066 61.131 61.300 -0.392 0.000 1.419 396 I CB -0.085 37.614 38.000 -0.502 0.000 1.394 396 I HN 0.325 nan 8.210 nan 0.000 0.562 397 N N 6.557 124.980 118.700 -0.462 0.000 3.178 397 N HA 0.128 4.871 4.740 0.006 0.000 0.300 397 N C -0.715 174.750 175.510 -0.074 0.000 1.242 397 N CA -0.197 52.733 53.050 -0.200 0.000 1.192 397 N CB -0.295 38.077 38.487 -0.193 0.000 1.463 397 N HN 0.214 nan 8.380 nan 0.000 0.539 398 F N 0.618 120.646 119.950 0.130 0.000 2.563 398 F HA 0.101 4.631 4.527 0.006 0.000 0.363 398 F C 1.328 177.015 175.800 -0.189 0.000 1.123 398 F CA -0.182 57.859 58.000 0.068 0.000 1.307 398 F CB 0.230 39.258 39.000 0.046 0.000 1.115 398 F HN 0.267 nan 8.300 nan 0.000 0.592 399 N N 2.475 121.243 118.700 0.113 0.000 2.419 399 N HA 0.080 4.823 4.740 0.006 0.000 0.264 399 N C 0.061 175.551 175.510 -0.032 0.000 1.031 399 N CA -0.115 52.932 53.050 -0.005 0.000 0.951 399 N CB 0.197 38.719 38.487 0.058 0.000 1.101 399 N HN 0.440 nan 8.380 nan 0.000 0.488 400 H N 1.091 120.305 119.070 0.240 0.000 2.542 400 H HA 0.284 4.843 4.556 0.006 0.000 0.283 400 H C 0.297 175.706 175.328 0.136 0.000 1.059 400 H CA -0.327 55.858 56.048 0.228 0.000 1.162 400 H CB 0.120 30.016 29.762 0.224 0.000 1.539 400 H HN 0.534 nan 8.280 nan 0.000 0.543 401 A N 1.268 124.187 122.820 0.165 0.000 2.448 401 A HA 0.122 4.445 4.320 0.006 0.000 0.239 401 A C 1.845 179.500 177.584 0.119 0.000 1.080 401 A CA 0.418 52.522 52.037 0.112 0.000 0.779 401 A CB 0.327 19.364 19.000 0.061 0.000 1.026 401 A HN 0.417 nan 8.150 nan 0.000 0.499 402 T N -0.828 113.791 114.554 0.108 0.000 2.720 402 T HA -0.142 4.212 4.350 0.006 0.000 0.268 402 T C 0.758 175.680 174.700 0.371 0.000 1.037 402 T CA 1.690 63.907 62.100 0.195 0.000 1.144 402 T CB -0.401 68.571 68.868 0.172 0.000 0.864 402 T HN 0.401 nan 8.240 nan 0.000 0.444 403 F N 2.592 122.535 119.950 -0.012 0.000 2.663 403 F HA 0.691 5.221 4.527 0.006 0.000 0.299 403 F C 1.299 177.073 175.800 -0.043 0.000 1.143 403 F CA -2.138 55.845 58.000 -0.028 0.000 1.387 403 F CB -1.429 37.558 39.000 -0.021 0.000 1.019 403 F HN 0.288 nan 8.300 nan 0.000 0.523 404 A N 1.152 124.044 122.820 0.120 0.000 2.386 404 A HA 0.501 4.825 4.320 0.006 0.000 0.248 404 A C -1.823 175.725 177.584 -0.061 0.000 1.082 404 A CA -1.017 51.035 52.037 0.024 0.000 0.789 404 A CB -0.337 18.669 19.000 0.010 0.000 1.025 404 A HN 0.021 nan 8.150 nan 0.000 0.490 405 P HA 0.174 nan 4.420 nan 0.000 0.271 405 P C 0.254 177.420 177.300 -0.224 0.000 1.244 405 P CA -0.218 62.803 63.100 -0.131 0.000 0.793 405 P CB 0.220 31.850 31.700 -0.117 0.000 0.984 406 S N 0.102 115.669 115.700 -0.221 0.000 2.566 406 S HA -0.028 4.445 4.470 0.006 0.000 0.280 406 S C 0.834 175.272 174.600 -0.271 0.000 1.343 406 S CA -0.012 58.010 58.200 -0.297 0.000 1.036 406 S CB -0.240 62.854 63.200 -0.176 0.000 0.866 406 S HN 0.285 nan 8.310 nan 0.000 0.526 407 Y N 1.261 121.482 120.300 -0.132 0.000 2.151 407 Y HA -0.144 4.410 4.550 0.006 0.000 0.284 407 Y C 2.861 178.684 175.900 -0.128 0.000 1.166 407 Y CA 1.810 59.778 58.100 -0.219 0.000 1.163 407 Y CB -1.178 36.998 38.460 -0.474 0.000 0.974 407 Y HN 0.770 nan 8.280 nan 0.000 0.511 408 Q N 0.636 120.444 119.800 0.014 0.000 2.050 408 Q HA -0.158 4.185 4.340 0.006 0.000 0.202 408 Q C 1.866 177.826 176.000 -0.066 0.000 0.980 408 Q CA 1.840 57.637 55.803 -0.010 0.000 0.840 408 Q CB -0.414 28.319 28.738 -0.008 0.000 0.898 408 Q HN 0.326 nan 8.270 nan 0.000 0.424 409 N N 0.102 118.749 118.700 -0.089 0.000 2.094 409 N HA -0.192 4.552 4.740 0.006 0.000 0.191 409 N C 1.679 177.065 175.510 -0.207 0.000 1.023 409 N CA 1.608 54.583 53.050 -0.125 0.000 0.857 409 N CB -0.214 38.203 38.487 -0.115 0.000 1.013 409 N HN 0.465 nan 8.380 nan 0.000 0.426 410 Q N -0.182 119.493 119.800 -0.208 0.000 2.084 410 Q HA -0.088 4.256 4.340 0.006 0.000 0.202 410 Q C 2.004 177.548 176.000 -0.761 0.000 0.978 410 Q CA 0.818 56.373 55.803 -0.415 0.000 0.844 410 Q CB -0.162 28.490 28.738 -0.143 0.000 0.898 410 Q HN 0.216 nan 8.270 nan 0.000 0.426 411 L N 1.216 122.212 121.223 -0.378 0.000 2.109 411 L HA -0.113 4.231 4.340 0.006 0.000 0.207 411 L C 1.557 178.014 176.870 -0.689 0.000 1.086 411 L CA 1.543 56.067 54.840 -0.528 0.000 0.760 411 L CB -0.402 41.488 42.059 -0.283 0.000 0.910 411 L HN 0.109 nan 8.230 nan 0.000 0.437 412 N N 0.094 118.572 118.700 -0.371 0.000 2.223 412 N HA -0.101 4.643 4.740 0.006 0.000 0.185 412 N C 1.822 177.228 175.510 -0.172 0.000 1.016 412 N CA 1.375 54.324 53.050 -0.167 0.000 0.863 412 N CB -0.374 38.078 38.487 -0.058 0.000 0.983 412 N HN 0.504 nan 8.380 nan 0.000 0.429 413 A N 0.445 123.095 122.820 -0.284 0.000 1.898 413 A HA -0.057 4.266 4.320 0.006 0.000 0.216 413 A C 1.777 179.279 177.584 -0.138 0.000 1.181 413 A CA 0.838 52.745 52.037 -0.215 0.000 0.620 413 A CB -0.724 18.126 19.000 -0.250 0.000 0.819 413 A HN 0.120 nan 8.150 nan 0.000 0.442 414 F N -0.743 119.061 119.950 -0.244 0.000 2.126 414 F HA -0.128 4.402 4.527 0.006 0.000 0.299 414 F C 2.036 177.720 175.800 -0.192 0.000 1.096 414 F CA 0.652 58.481 58.000 -0.284 0.000 1.255 414 F CB -1.373 37.344 39.000 -0.472 0.000 0.997 414 F HN 0.217 nan 8.300 nan 0.000 0.479 415 F N 0.138 120.084 119.950 -0.007 0.000 2.234 415 F HA -0.127 4.404 4.527 0.006 0.000 0.299 415 F C 2.621 178.396 175.800 -0.041 0.000 1.087 415 F CA 0.967 58.919 58.000 -0.080 0.000 1.340 415 F CB -1.616 37.296 39.000 -0.147 0.000 1.031 415 F HN -0.141 nan 8.300 nan 0.000 0.500 416 S N -0.295 115.491 115.700 0.143 0.000 2.399 416 S HA -0.178 4.296 4.470 0.006 0.000 0.231 416 S C 1.859 176.494 174.600 0.057 0.000 1.022 416 S CA 1.124 59.369 58.200 0.075 0.000 0.983 416 S CB -0.241 62.977 63.200 0.030 0.000 0.803 416 S HN 0.382 nan 8.310 nan 0.000 0.480 417 K N 1.645 122.085 120.400 0.067 0.000 2.365 417 K HA 0.068 4.392 4.320 0.006 0.000 0.197 417 K C 0.835 177.462 176.600 0.045 0.000 1.042 417 K CA 0.261 56.578 56.287 0.051 0.000 0.987 417 K CB 0.054 32.589 32.500 0.059 0.000 0.779 417 K HN 0.358 nan 8.250 nan 0.000 0.484 418 S N 0.990 116.729 115.700 0.065 0.000 2.576 418 S HA 0.128 4.601 4.470 0.006 0.000 0.276 418 S C -2.062 172.550 174.600 0.019 0.000 1.339 418 S CA -1.300 56.930 58.200 0.049 0.000 1.039 418 S CB 1.168 64.419 63.200 0.086 0.000 0.902 418 S HN -0.190 nan 8.310 nan 0.000 0.516 419 P HA -0.064 nan 4.420 nan 0.000 0.216 419 P C 0.516 177.803 177.300 -0.021 0.000 1.150 419 P CA 1.154 64.240 63.100 -0.024 0.000 0.843 419 P CB 0.018 31.687 31.700 -0.051 0.000 0.787 420 N N -1.570 117.118 118.700 -0.019 0.000 2.204 420 N HA 0.051 4.795 4.740 0.006 0.000 0.219 420 N C -0.177 175.321 175.510 -0.021 0.000 1.151 420 N CA 0.032 53.069 53.050 -0.022 0.000 0.867 420 N CB 0.195 38.666 38.487 -0.027 0.000 1.043 420 N HN -0.124 nan 8.380 nan 0.000 0.516 421 K N 0.995 121.392 120.400 -0.005 0.000 3.088 421 K HA -0.171 4.153 4.320 0.006 0.000 0.273 421 K C -0.175 176.380 176.600 -0.075 0.000 1.111 421 K CA 1.252 57.538 56.287 -0.002 0.000 0.803 421 K CB -1.893 30.602 32.500 -0.008 0.000 1.226 421 K HN 0.531 nan 8.250 nan 0.000 0.485 422 D N -2.078 118.275 120.400 -0.079 0.000 2.556 422 D HA 0.285 4.929 4.640 0.006 0.000 0.237 422 D C 0.773 177.016 176.300 -0.094 0.000 1.296 422 D CA 0.459 54.349 54.000 -0.184 0.000 0.807 422 D CB 0.469 41.227 40.800 -0.070 0.000 1.084 422 D HN 0.272 nan 8.370 nan 0.000 0.510 423 G N -0.334 108.512 108.800 0.077 0.000 2.706 423 G HA2 0.632 4.596 3.960 0.006 0.000 0.307 423 G HA3 0.632 4.596 3.960 0.006 0.000 0.307 423 G C -1.736 173.363 174.900 0.332 0.000 1.307 423 G CA -0.915 44.353 45.100 0.279 0.000 0.790 423 G HN 0.075 nan 8.290 nan 0.000 0.503 424 I N 0.822 121.592 120.570 0.333 0.000 2.499 424 I HA 0.331 4.505 4.170 0.006 0.000 0.288 424 I C -0.080 176.187 176.117 0.250 0.000 1.048 424 I CA -0.602 60.815 61.300 0.195 0.000 1.062 424 I CB 2.098 40.105 38.000 0.011 0.000 1.238 424 I HN 0.202 nan 8.210 nan 0.000 0.426 425 L N 5.008 126.299 121.223 0.112 0.000 2.483 425 L HA -0.005 4.338 4.340 0.006 0.000 0.276 425 L C 1.373 178.384 176.870 0.234 0.000 1.213 425 L CA -0.155 54.754 54.840 0.116 0.000 0.843 425 L CB 0.546 42.627 42.059 0.036 0.000 1.107 425 L HN 0.619 nan 8.230 nan 0.000 0.487 426 L N 2.649 124.015 121.223 0.239 0.000 2.127 426 L HA -0.211 4.133 4.340 0.006 0.000 0.211 426 L C 2.540 179.518 176.870 0.180 0.000 1.089 426 L CA 2.100 57.111 54.840 0.284 0.000 0.757 426 L CB -0.484 41.674 42.059 0.165 0.000 0.899 426 L HN 0.878 nan 8.230 nan 0.000 0.434 427 S N -2.367 113.375 115.700 0.069 0.000 2.507 427 S HA -0.079 4.394 4.470 0.006 0.000 0.235 427 S C 1.231 175.779 174.600 -0.086 0.000 0.988 427 S CA 0.847 59.045 58.200 -0.004 0.000 0.944 427 S CB -0.494 62.699 63.200 -0.012 0.000 0.762 427 S HN 0.505 nan 8.310 nan 0.000 0.526 428 D N 0.280 120.572 120.400 -0.181 0.000 2.342 428 D HA 0.316 4.960 4.640 0.006 0.000 0.221 428 D C -0.615 175.287 176.300 -0.662 0.000 1.101 428 D CA 0.014 53.667 54.000 -0.577 0.000 0.837 428 D CB 0.042 40.172 40.800 -1.116 0.000 0.938 428 D HN 0.376 nan 8.370 nan 0.000 0.508 429 F N 0.289 120.089 119.950 -0.251 0.000 2.440 429 F HA 0.420 4.951 4.527 0.006 0.000 0.328 429 F C 0.832 176.544 175.800 -0.146 0.000 1.070 429 F CA -1.040 56.868 58.000 -0.153 0.000 1.011 429 F CB 1.348 40.312 39.000 -0.060 0.000 1.226 429 F HN -0.333 nan 8.300 nan 0.000 0.491 430 I N 1.402 122.043 120.570 0.118 0.000 2.337 430 I HA 0.171 4.345 4.170 0.006 0.000 0.291 430 I C 0.585 176.663 176.117 -0.065 0.000 1.046 430 I CA 0.105 61.421 61.300 0.028 0.000 1.324 430 I CB 0.838 38.864 38.000 0.044 0.000 1.409 430 I HN 0.748 nan 8.210 nan 0.000 0.494 431 T N 1.184 115.596 114.554 -0.236 0.000 3.091 431 T HA 0.327 4.681 4.350 0.006 0.000 0.277 431 T C 0.343 174.868 174.700 -0.292 0.000 0.996 431 T CA -0.249 61.455 62.100 -0.661 0.000 0.897 431 T CB 0.221 68.592 68.868 -0.829 0.000 1.109 431 T HN 0.560 nan 8.240 nan 0.000 0.534 432 Q N 0.116 119.853 119.800 -0.104 0.000 2.377 432 Q HA 0.750 5.094 4.340 0.006 0.000 0.279 432 Q C -1.868 174.133 176.000 0.002 0.000 1.049 432 Q CA -1.078 54.712 55.803 -0.022 0.000 0.825 432 Q CB 2.712 31.430 28.738 -0.033 0.000 1.401 432 Q HN 0.415 nan 8.270 nan 0.000 0.404 433 A N 0.014 122.843 122.820 0.014 0.000 2.517 433 A HA 0.478 4.802 4.320 0.006 0.000 0.297 433 A C 0.449 178.028 177.584 -0.008 0.000 1.050 433 A CA -0.302 51.733 52.037 -0.004 0.000 0.694 433 A CB 1.121 20.108 19.000 -0.021 0.000 1.277 433 A HN 0.802 nan 8.150 nan 0.000 0.400 434 T N -0.835 113.713 114.554 -0.011 0.000 2.833 434 T HA -0.097 4.256 4.350 0.006 0.000 0.269 434 T C 1.510 176.201 174.700 -0.016 0.000 1.054 434 T CA 2.220 64.316 62.100 -0.007 0.000 1.135 434 T CB -0.295 68.571 68.868 -0.005 0.000 0.869 434 T HN 0.493 nan 8.240 nan 0.000 0.466 435 S N 0.865 116.540 115.700 -0.043 0.000 2.561 435 S HA 0.475 4.949 4.470 0.006 0.000 0.225 435 S C 1.071 175.583 174.600 -0.147 0.000 0.977 435 S CA 0.215 58.370 58.200 -0.075 0.000 0.926 435 S CB -0.507 62.630 63.200 -0.104 0.000 0.769 435 S HN 1.206 nan 8.310 nan 0.000 0.533 436 G N 1.231 109.959 108.800 -0.120 0.000 2.539 436 G HA2 -0.101 3.863 3.960 0.006 0.000 0.686 436 G HA3 -0.101 3.863 3.960 0.006 0.000 0.686 436 G C 0.068 174.875 174.900 -0.155 0.000 1.258 436 G CA -0.174 44.864 45.100 -0.104 0.000 0.846 436 G HN 0.123 nan 8.290 nan 0.000 0.647 437 E N -0.322 119.904 120.200 0.043 0.000 2.118 437 E HA -0.246 4.108 4.350 0.006 0.000 0.195 437 E C 2.041 178.687 176.600 0.078 0.000 0.992 437 E CA 2.233 58.732 56.400 0.165 0.000 0.804 437 E CB -0.196 29.757 29.700 0.422 0.000 0.741 437 E HN 0.890 nan 8.360 nan 0.000 0.458 438 H N -1.133 117.920 119.070 -0.028 0.000 2.489 438 H HA -0.059 4.501 4.556 0.006 0.000 0.295 438 H C 1.966 177.278 175.328 -0.027 0.000 1.082 438 H CA 1.600 57.615 56.048 -0.055 0.000 1.295 438 H CB -0.669 29.009 29.762 -0.139 0.000 1.380 438 H HN 0.203 nan 8.280 nan 0.000 0.548 439 T N -1.134 113.151 114.554 -0.449 0.000 3.088 439 T HA 0.034 4.387 4.350 0.006 0.000 0.259 439 T C 1.626 176.266 174.700 -0.101 0.000 1.122 439 T CA 0.701 62.644 62.100 -0.263 0.000 1.095 439 T CB -0.284 68.399 68.868 -0.310 0.000 0.930 439 T HN 0.741 nan 8.240 nan 0.000 0.508 440 I N -1.952 118.591 120.570 -0.045 0.000 4.312 440 I HA 0.492 4.666 4.170 0.006 0.000 0.324 440 I C 0.825 176.963 176.117 0.036 0.000 1.298 440 I CA -0.683 60.624 61.300 0.013 0.000 1.231 440 I CB 0.029 38.066 38.000 0.062 0.000 1.152 440 I HN -0.044 nan 8.210 nan 0.000 0.421 441 V N 3.917 123.860 119.914 0.049 0.000 2.901 441 V HA 0.133 4.256 4.120 0.006 0.000 0.307 441 V C 0.234 176.258 176.094 -0.116 0.000 1.084 441 V CA 0.182 62.456 62.300 -0.043 0.000 1.184 441 V CB 0.339 32.090 31.823 -0.119 0.000 0.941 441 V HN 0.302 nan 8.190 nan 0.000 0.493 442 R N 4.216 124.614 120.500 -0.170 0.000 2.428 442 R HA 0.653 4.996 4.340 0.006 0.000 0.294 442 R C 0.376 176.587 176.300 -0.149 0.000 1.000 442 R CA 0.388 56.441 56.100 -0.079 0.000 0.960 442 R CB 0.663 30.995 30.300 0.053 0.000 1.076 442 R HN 1.378 nan 8.270 nan 0.000 0.475 443 G N 1.922 110.690 108.800 -0.053 0.000 2.814 443 G HA2 -0.240 3.724 3.960 0.006 0.000 0.677 443 G HA3 -0.240 3.724 3.960 0.006 0.000 0.677 443 G C -0.503 174.262 174.900 -0.225 0.000 1.429 443 G CA 0.149 45.130 45.100 -0.197 0.000 0.868 443 G HN 0.767 nan 8.290 nan 0.000 0.553 444 D N -1.831 118.457 120.400 -0.186 0.000 2.640 444 D HA 0.483 5.127 4.640 0.006 0.000 0.282 444 D C 1.429 177.670 176.300 -0.098 0.000 1.558 444 D CA 1.348 55.279 54.000 -0.117 0.000 0.820 444 D CB -0.163 40.626 40.800 -0.019 0.000 1.243 444 D HN 2.313 nan 8.370 nan 0.000 0.456 445 G N 0.810 109.519 108.800 -0.151 0.000 2.194 445 G HA2 -0.403 3.560 3.960 0.006 0.000 0.236 445 G HA3 -0.403 3.560 3.960 0.006 0.000 0.236 445 G C 1.023 175.907 174.900 -0.026 0.000 0.987 445 G CA 0.597 45.645 45.100 -0.087 0.000 0.635 445 G HN 0.413 nan 8.290 nan 0.000 0.520 446 Q N 0.683 120.476 119.800 -0.012 0.000 2.050 446 Q HA 0.340 4.684 4.340 0.006 0.000 0.202 446 Q C 1.261 177.273 176.000 0.021 0.000 0.980 446 Q CA 2.322 58.151 55.803 0.044 0.000 0.840 446 Q CB -0.015 28.739 28.738 0.028 0.000 0.898 446 Q HN 0.926 nan 8.270 nan 0.000 0.424 447 S N -2.914 112.749 115.700 -0.062 0.000 2.567 447 S HA 0.186 4.659 4.470 0.006 0.000 0.270 447 S C -0.463 174.145 174.600 0.013 0.000 1.152 447 S CA -0.613 57.568 58.200 -0.031 0.000 0.835 447 S CB -0.113 63.001 63.200 -0.145 0.000 1.115 447 S HN 0.283 nan 8.310 nan 0.000 0.459 448 Y N 2.533 122.793 120.300 -0.068 0.000 2.274 448 Y HA 0.071 4.624 4.550 0.006 0.000 0.290 448 Y C 1.142 176.977 175.900 -0.109 0.000 1.145 448 Y CA 1.658 59.732 58.100 -0.045 0.000 1.203 448 Y CB 0.119 38.516 38.460 -0.105 0.000 0.984 448 Y HN 0.553 nan 8.280 nan 0.000 0.533 449 Q N 0.953 120.669 119.800 -0.140 0.000 2.354 449 Q HA 0.193 4.537 4.340 0.006 0.000 0.244 449 Q C -0.715 174.887 176.000 -0.665 0.000 0.969 449 Q CA 0.301 55.885 55.803 -0.365 0.000 0.885 449 Q CB 1.138 29.746 28.738 -0.217 0.000 1.241 449 Q HN 0.365 nan 8.270 nan 0.000 0.461 450 M N 2.480 121.726 119.600 -0.590 0.000 2.066 450 M HA 0.329 4.813 4.480 0.006 0.000 0.340 450 M C -0.830 175.272 176.300 -0.329 0.000 1.053 450 M CA -0.494 54.494 55.300 -0.519 0.000 0.983 450 M CB 0.594 32.998 32.600 -0.326 0.000 1.520 450 M HN 0.306 nan 8.290 nan 0.000 0.428 451 F N 1.120 121.042 119.950 -0.046 0.000 2.471 451 F HA 0.141 4.671 4.527 0.006 0.000 0.353 451 F C 1.844 177.750 175.800 0.177 0.000 1.113 451 F CA -0.201 57.811 58.000 0.020 0.000 1.262 451 F CB 0.468 39.435 39.000 -0.054 0.000 1.146 451 F HN 0.605 nan 8.300 nan 0.000 0.578 452 T N -3.136 111.611 114.554 0.322 0.000 3.086 452 T HA 0.060 4.413 4.350 0.006 0.000 0.250 452 T C -0.004 174.855 174.700 0.265 0.000 1.074 452 T CA -0.051 62.144 62.100 0.159 0.000 0.988 452 T CB -0.199 68.661 68.868 -0.014 0.000 0.988 452 T HN 0.425 nan 8.240 nan 0.000 0.530 453 D N 0.748 121.399 120.400 0.419 0.000 2.408 453 D HA 0.337 4.981 4.640 0.006 0.000 0.243 453 D C 0.664 177.266 176.300 0.504 0.000 1.075 453 D CA -0.682 53.576 54.000 0.431 0.000 0.832 453 D CB 1.855 42.865 40.800 0.349 0.000 1.162 453 D HN -0.022 nan 8.370 nan 0.000 0.515 454 K N 1.174 121.833 120.400 0.432 0.000 2.362 454 K HA 0.023 4.346 4.320 0.006 0.000 0.200 454 K C 0.422 177.113 176.600 0.151 0.000 1.046 454 K CA 0.597 57.058 56.287 0.290 0.000 0.952 454 K CB 0.068 32.602 32.500 0.057 0.000 0.753 454 K HN 0.404 nan 8.250 nan 0.000 0.466 455 T N 1.908 116.487 114.554 0.042 0.000 2.834 455 T HA 0.100 4.454 4.350 0.006 0.000 0.298 455 T C 0.070 174.486 174.700 -0.474 0.000 0.966 455 T CA -0.307 61.611 62.100 -0.304 0.000 1.141 455 T CB 1.331 69.900 68.868 -0.498 0.000 0.905 455 T HN -0.211 nan 8.240 nan 0.000 0.535 456 V N 4.672 124.184 119.914 -0.670 0.000 2.530 456 V HA 0.265 4.389 4.120 0.006 0.000 0.282 456 V C -0.502 175.275 176.094 -0.529 0.000 1.048 456 V CA -0.502 61.382 62.300 -0.692 0.000 0.997 456 V CB -0.097 31.214 31.823 -0.853 0.000 0.987 456 V HN 0.722 nan 8.190 nan 0.000 0.477 457 Y N 2.671 122.933 120.300 -0.063 0.000 2.446 457 Y HA 0.656 5.210 4.550 0.006 0.000 0.338 457 Y C 0.280 176.186 175.900 0.010 0.000 1.055 457 Y CA -0.652 57.444 58.100 -0.006 0.000 1.101 457 Y CB 1.746 40.218 38.460 0.020 0.000 1.221 457 Y HN 0.619 nan 8.280 nan 0.000 0.460 458 E N 1.599 121.903 120.200 0.173 0.000 2.321 458 E HA 0.320 4.674 4.350 0.006 0.000 0.278 458 E C -1.070 175.594 176.600 0.106 0.000 0.902 458 E CA -0.780 55.689 56.400 0.115 0.000 0.758 458 E CB 1.006 30.744 29.700 0.063 0.000 1.213 458 E HN 0.633 nan 8.360 nan 0.000 0.426 459 K N 1.880 122.330 120.400 0.083 0.000 3.088 459 K HA -0.280 4.044 4.320 0.006 0.000 0.273 459 K C 0.548 177.188 176.600 0.065 0.000 1.111 459 K CA 0.724 57.047 56.287 0.060 0.000 0.803 459 K CB -1.577 30.949 32.500 0.042 0.000 1.226 459 K HN 0.994 nan 8.250 nan 0.000 0.485 460 G N -1.578 107.271 108.800 0.083 0.000 2.157 460 G HA2 -0.142 3.822 3.960 0.006 0.000 0.239 460 G HA3 -0.142 3.822 3.960 0.006 0.000 0.239 460 G C 0.046 175.017 174.900 0.119 0.000 0.982 460 G CA 0.232 45.369 45.100 0.062 0.000 0.650 460 G HN 1.083 nan 8.290 nan 0.000 0.527 461 A N -0.803 122.138 122.820 0.202 0.000 2.594 461 A HA 0.912 5.235 4.320 0.006 0.000 0.291 461 A C -3.020 174.702 177.584 0.230 0.000 1.105 461 A CA -1.232 50.940 52.037 0.225 0.000 0.694 461 A CB 1.248 20.322 19.000 0.123 0.000 1.291 461 A HN 0.072 nan 8.150 nan 0.000 0.410 462 P HA 0.310 nan 4.420 nan 0.000 0.264 462 P C -0.392 176.976 177.300 0.112 0.000 1.183 462 P CA 0.506 63.508 63.100 -0.163 0.000 0.763 462 P CB 0.622 32.097 31.700 -0.375 0.000 0.807 463 A N 2.793 125.644 122.820 0.052 0.000 2.306 463 A HA 0.718 5.042 4.320 0.006 0.000 0.314 463 A C -0.265 177.435 177.584 0.194 0.000 1.164 463 A CA -0.289 51.800 52.037 0.087 0.000 0.822 463 A CB 0.590 19.575 19.000 -0.025 0.000 1.130 463 A HN 0.535 nan 8.150 nan 0.000 0.496 464 A N 1.148 124.013 122.820 0.075 0.000 2.386 464 A HA 0.663 4.987 4.320 0.006 0.000 0.311 464 A C -0.954 176.653 177.584 0.038 0.000 1.068 464 A CA -0.486 51.559 52.037 0.013 0.000 0.743 464 A CB 0.743 19.541 19.000 -0.336 0.000 1.258 464 A HN 1.126 nan 8.150 nan 0.000 0.429 465 F N 3.811 123.709 119.950 -0.086 0.000 2.445 465 F HA 0.511 5.042 4.527 0.006 0.000 0.359 465 F C -2.149 173.594 175.800 -0.095 0.000 1.101 465 F CA -2.149 55.791 58.000 -0.100 0.000 1.177 465 F CB 1.018 39.938 39.000 -0.135 0.000 1.110 465 F HN 0.271 nan 8.300 nan 0.000 0.522 466 P HA 0.189 nan 4.420 nan 0.000 0.275 466 P C -1.254 175.787 177.300 -0.432 0.000 1.227 466 P CA -0.154 62.716 63.100 -0.382 0.000 0.781 466 P CB 1.232 32.727 31.700 -0.341 0.000 0.906 467 V N 3.768 123.571 119.914 -0.185 0.000 2.409 467 V HA 0.229 4.353 4.120 0.006 0.000 0.290 467 V C 0.569 176.631 176.094 -0.055 0.000 1.017 467 V CA -0.798 61.434 62.300 -0.113 0.000 0.841 467 V CB 1.027 32.831 31.823 -0.032 0.000 1.003 467 V HN 0.548 nan 8.190 nan 0.000 0.426 468 K N 4.916 125.277 120.400 -0.064 0.000 2.168 468 K HA 0.389 4.713 4.320 0.006 0.000 0.258 468 K C -2.059 174.547 176.600 0.010 0.000 1.010 468 K CA -1.184 55.080 56.287 -0.038 0.000 0.929 468 K CB 0.713 33.183 32.500 -0.050 0.000 0.998 468 K HN 0.182 nan 8.250 nan 0.000 0.479 469 P HA -0.211 nan 4.420 nan 0.000 0.216 469 P C 0.228 177.559 177.300 0.051 0.000 1.154 469 P CA 1.544 64.648 63.100 0.007 0.000 0.865 469 P CB 0.096 31.780 31.700 -0.027 0.000 0.789 470 E N -1.127 119.092 120.200 0.033 0.000 2.418 470 E HA -0.097 4.256 4.350 0.006 0.000 0.197 470 E C 1.418 178.052 176.600 0.056 0.000 1.026 470 E CA 0.828 57.252 56.400 0.041 0.000 0.862 470 E CB -0.327 29.389 29.700 0.025 0.000 0.799 470 E HN 0.153 nan 8.360 nan 0.000 0.518 471 K N -1.001 119.435 120.400 0.060 0.000 2.374 471 K HA 0.092 4.416 4.320 0.006 0.000 0.202 471 K C 1.110 177.729 176.600 0.031 0.000 1.040 471 K CA -0.114 56.201 56.287 0.045 0.000 1.085 471 K CB 0.112 32.626 32.500 0.023 0.000 0.873 471 K HN 0.196 nan 8.250 nan 0.000 0.539 472 Y N 2.019 122.297 120.300 -0.038 0.000 2.114 472 Y HA -0.254 4.300 4.550 0.006 0.000 0.284 472 Y C 2.120 178.002 175.900 -0.031 0.000 1.143 472 Y CA 2.026 60.097 58.100 -0.049 0.000 1.135 472 Y CB -0.093 38.337 38.460 -0.050 0.000 0.980 472 Y HN -0.045 nan 8.280 nan 0.000 0.499 473 S N 0.137 115.855 115.700 0.030 0.000 2.356 473 S HA -0.263 4.211 4.470 0.006 0.000 0.223 473 S C 1.948 176.492 174.600 -0.093 0.000 1.032 473 S CA 1.475 59.645 58.200 -0.048 0.000 1.005 473 S CB -0.515 62.721 63.200 0.060 0.000 0.867 473 S HN 0.654 nan 8.310 nan 0.000 0.449 474 E N 0.731 120.910 120.200 -0.035 0.000 2.058 474 E HA -0.189 4.164 4.350 0.006 0.000 0.194 474 E C 1.922 178.499 176.600 -0.037 0.000 0.997 474 E CA 1.223 57.623 56.400 -0.001 0.000 0.801 474 E CB -0.095 29.640 29.700 0.058 0.000 0.746 474 E HN 0.314 nan 8.360 nan 0.000 0.450 475 M N 0.579 120.100 119.600 -0.132 0.000 2.175 475 M HA -0.094 4.390 4.480 0.006 0.000 0.264 475 M C 2.303 178.544 176.300 -0.099 0.000 1.063 475 M CA 1.354 56.559 55.300 -0.157 0.000 1.119 475 M CB -0.822 31.599 32.600 -0.299 0.000 1.377 475 M HN -0.003 nan 8.290 nan 0.000 0.415 476 K N 0.932 121.160 120.400 -0.287 0.000 2.057 476 K HA -0.009 4.314 4.320 0.006 0.000 0.206 476 K C 1.895 178.407 176.600 -0.146 0.000 1.050 476 K CA 1.689 57.799 56.287 -0.294 0.000 0.935 476 K CB -0.274 31.886 32.500 -0.567 0.000 0.715 476 K HN 0.189 nan 8.250 nan 0.000 0.439 477 A N 0.367 123.121 122.820 -0.109 0.000 2.014 477 A HA 0.093 4.416 4.320 0.006 0.000 0.218 477 A C 2.230 179.786 177.584 -0.046 0.000 1.163 477 A CA 1.414 53.415 52.037 -0.060 0.000 0.652 477 A CB -0.717 18.263 19.000 -0.033 0.000 0.808 477 A HN 0.430 nan 8.150 nan 0.000 0.449 478 A N -1.735 121.072 122.820 -0.022 0.000 2.168 478 A HA 0.367 4.691 4.320 0.006 0.000 0.215 478 A C 1.799 179.275 177.584 -0.180 0.000 1.152 478 A CA 1.462 53.479 52.037 -0.034 0.000 0.716 478 A CB -0.726 18.338 19.000 0.108 0.000 0.794 478 A HN 1.811 nan 8.150 nan 0.000 0.465 479 G N -3.021 105.678 108.800 -0.168 0.000 2.168 479 G HA2 -0.213 3.751 3.960 0.006 0.000 0.197 479 G HA3 -0.213 3.751 3.960 0.006 0.000 0.197 479 G C -0.046 174.713 174.900 -0.236 0.000 0.997 479 G CA -0.059 44.919 45.100 -0.203 0.000 0.658 479 G HN 0.366 nan 8.290 nan 0.000 0.513 480 Y N 0.573 120.802 120.300 -0.118 0.000 2.379 480 Y HA 0.444 4.998 4.550 0.006 0.000 0.337 480 Y C 1.265 177.094 175.900 -0.118 0.000 1.238 480 Y CA 0.336 58.362 58.100 -0.123 0.000 1.405 480 Y CB 0.889 39.248 38.460 -0.169 0.000 1.310 480 Y HN 0.372 nan 8.280 nan 0.000 0.569 481 A N 3.186 126.059 122.820 0.088 0.000 3.026 481 A HA 0.398 4.722 4.320 0.006 0.000 0.272 481 A C -0.529 177.037 177.584 -0.031 0.000 1.782 481 A CA -0.462 51.589 52.037 0.023 0.000 1.451 481 A CB -1.555 17.477 19.000 0.053 0.000 1.081 481 A HN 0.502 nan 8.150 nan 0.000 0.611 482 V N 3.105 122.974 119.914 -0.075 0.000 2.488 482 V HA 0.195 4.318 4.120 0.006 0.000 0.277 482 V C 0.316 176.321 176.094 -0.148 0.000 1.046 482 V CA 0.078 62.295 62.300 -0.138 0.000 0.986 482 V CB 0.718 32.425 31.823 -0.194 0.000 0.989 482 V HN 0.609 nan 8.190 nan 0.000 0.475 483 I N 4.627 124.975 120.570 -0.370 0.000 2.336 483 I HA 0.785 4.959 4.170 0.006 0.000 0.292 483 I C 0.822 176.723 176.117 -0.359 0.000 0.991 483 I CA 0.454 61.493 61.300 -0.435 0.000 1.227 483 I CB 1.235 38.751 38.000 -0.807 0.000 1.366 483 I HN 0.922 nan 8.210 nan 0.000 0.466 484 G N 5.265 113.981 108.800 -0.141 0.000 2.288 484 G HA2 0.173 4.137 3.960 0.006 0.000 0.227 484 G HA3 0.173 4.137 3.960 0.006 0.000 0.227 484 G C -2.069 172.655 174.900 -0.294 0.000 1.339 484 G CA -0.275 44.726 45.100 -0.165 0.000 1.057 484 G HN 0.784 nan 8.290 nan 0.000 0.470 485 D N -1.694 118.312 120.400 -0.657 0.000 2.639 485 D HA 0.618 5.262 4.640 0.006 0.000 0.271 485 D C -2.502 173.087 176.300 -1.186 0.000 1.254 485 D CA -1.197 52.236 54.000 -0.945 0.000 0.810 485 D CB 1.635 42.197 40.800 -0.396 0.000 1.351 485 D HN 0.257 nan 8.370 nan 0.000 0.427 486 P HA 0.104 nan 4.420 nan 0.000 0.226 486 P C 0.933 178.110 177.300 -0.206 0.000 1.153 486 P CA 0.729 63.604 63.100 -0.375 0.000 0.777 486 P CB 0.221 31.865 31.700 -0.095 0.000 0.794 487 I N -0.974 119.470 120.570 -0.211 0.000 2.429 487 I HA -0.055 4.119 4.170 0.006 0.000 0.247 487 I C 1.689 177.736 176.117 -0.117 0.000 1.099 487 I CA 0.977 62.202 61.300 -0.126 0.000 1.422 487 I CB -0.179 37.759 38.000 -0.103 0.000 1.112 487 I HN -0.089 nan 8.210 nan 0.000 0.430 488 N N 0.540 119.150 118.700 -0.149 0.000 2.325 488 N HA 0.125 4.868 4.740 0.006 0.000 0.182 488 N C 0.935 176.378 175.510 -0.111 0.000 1.088 488 N CA 0.899 53.882 53.050 -0.112 0.000 0.879 488 N CB 0.819 39.246 38.487 -0.101 0.000 0.983 488 N HN 0.407 nan 8.380 nan 0.000 0.471 489 G N -0.154 108.548 108.800 -0.164 0.000 2.598 489 G HA2 0.014 3.978 3.960 0.006 0.000 0.244 489 G HA3 0.014 3.978 3.960 0.006 0.000 0.244 489 G C 0.035 174.884 174.900 -0.085 0.000 1.302 489 G CA -0.214 44.830 45.100 -0.093 0.000 0.903 489 G HN 0.665 nan 8.290 nan 0.000 0.575 490 G N -2.552 106.250 108.800 0.003 0.000 2.474 490 G HA2 0.877 4.841 3.960 0.006 0.000 0.234 490 G HA3 0.877 4.841 3.960 0.006 0.000 0.234 490 G C -0.964 173.956 174.900 0.034 0.000 1.204 490 G CA 0.502 45.599 45.100 -0.005 0.000 0.939 490 G HN 2.444 nan 8.290 nan 0.000 0.491 491 Y N -1.688 118.518 120.300 -0.157 0.000 2.641 491 Y HA 0.803 5.356 4.550 0.006 0.000 0.333 491 Y C -1.471 174.274 175.900 -0.257 0.000 1.174 491 Y CA -1.615 56.334 58.100 -0.251 0.000 1.057 491 Y CB 1.167 39.393 38.460 -0.390 0.000 1.322 491 Y HN 0.536 nan 8.280 nan 0.000 0.457 492 I N 2.381 122.908 120.570 -0.072 0.000 2.439 492 I HA 0.237 4.411 4.170 0.006 0.000 0.285 492 I C -1.203 174.936 176.117 0.037 0.000 1.021 492 I CA -0.495 60.763 61.300 -0.069 0.000 1.091 492 I CB 1.132 39.118 38.000 -0.023 0.000 1.242 492 I HN 0.645 nan 8.210 nan 0.000 0.439 493 W N 6.830 128.202 121.300 0.121 0.000 2.264 493 W HA 0.271 4.935 4.660 0.006 0.000 0.331 493 W C -0.231 176.275 176.519 -0.021 0.000 1.364 493 W CA -0.380 57.007 57.345 0.070 0.000 1.253 493 W CB 0.376 29.865 29.460 0.048 0.000 1.215 493 W HN 0.232 nan 8.180 nan 0.000 0.561 494 L N 4.429 125.772 121.223 0.200 0.000 2.325 494 L HA 0.433 4.776 4.340 0.006 0.000 0.279 494 L C -0.057 176.719 176.870 -0.157 0.000 1.054 494 L CA -0.884 53.945 54.840 -0.018 0.000 0.804 494 L CB 0.736 42.731 42.059 -0.108 0.000 1.200 494 L HN 0.427 nan 8.230 nan 0.000 0.436 495 N N 0.696 119.286 118.700 -0.182 0.000 2.262 495 N HA 0.381 5.125 4.740 0.006 0.000 0.295 495 N C -1.311 174.055 175.510 -0.240 0.000 1.161 495 N CA -0.632 52.284 53.050 -0.223 0.000 0.767 495 N CB 1.420 39.859 38.487 -0.079 0.000 1.499 495 N HN 0.339 nan 8.380 nan 0.000 0.476 496 W N 1.567 122.882 121.300 0.026 0.000 2.181 496 W HA 0.177 4.841 4.660 0.006 0.000 0.335 496 W C 1.472 178.022 176.519 0.051 0.000 1.310 496 W CA -0.627 56.771 57.345 0.088 0.000 1.226 496 W CB 0.440 30.030 29.460 0.216 0.000 1.155 496 W HN 0.301 nan 8.180 nan 0.000 0.565 497 R N 2.575 123.251 120.500 0.292 0.000 2.694 497 R HA -0.000 4.344 4.340 0.006 0.000 0.268 497 R C 1.306 177.683 176.300 0.128 0.000 1.061 497 R CA -0.507 55.685 56.100 0.153 0.000 1.133 497 R CB 0.677 31.049 30.300 0.120 0.000 1.020 497 R HN 0.607 nan 8.270 nan 0.000 0.475 498 E N 1.566 121.792 120.200 0.043 0.000 2.108 498 E HA -0.280 4.074 4.350 0.006 0.000 0.203 498 E C 1.509 178.132 176.600 0.038 0.000 1.022 498 E CA 2.564 58.966 56.400 0.003 0.000 0.823 498 E CB -0.167 29.520 29.700 -0.022 0.000 0.744 498 E HN 0.805 nan 8.360 nan 0.000 0.456 499 S N -0.407 115.314 115.700 0.035 0.000 2.547 499 S HA -0.062 4.412 4.470 0.006 0.000 0.235 499 S C 1.712 176.335 174.600 0.039 0.000 0.980 499 S CA 0.534 58.742 58.200 0.014 0.000 0.941 499 S CB -0.085 63.112 63.200 -0.004 0.000 0.763 499 S HN 0.211 nan 8.310 nan 0.000 0.532 500 I N 0.896 121.516 120.570 0.084 0.000 3.645 500 I HA 0.366 4.540 4.170 0.006 0.000 0.300 500 I C 0.968 177.098 176.117 0.021 0.000 1.260 500 I CA -0.170 61.166 61.300 0.060 0.000 1.365 500 I CB -1.085 37.007 38.000 0.152 0.000 1.077 500 I HN 0.317 nan 8.210 nan 0.000 0.439 501 L N 0.528 121.828 121.223 0.128 0.000 2.468 501 L HA 0.453 4.797 4.340 0.006 0.000 0.254 501 L C 0.965 177.975 176.870 0.234 0.000 1.171 501 L CA -0.612 54.356 54.840 0.213 0.000 0.809 501 L CB 0.338 42.539 42.059 0.236 0.000 1.155 501 L HN 0.040 nan 8.230 nan 0.000 0.473 502 A N 0.746 123.733 122.820 0.278 0.000 2.448 502 A HA 0.319 4.642 4.320 0.006 0.000 0.239 502 A C -0.851 176.939 177.584 0.343 0.000 1.080 502 A CA 0.312 52.458 52.037 0.181 0.000 0.779 502 A CB -0.101 18.935 19.000 0.059 0.000 1.026 502 A HN 0.630 nan 8.150 nan 0.000 0.499 503 Y N -1.828 118.511 120.300 0.064 0.000 2.571 503 Y HA 0.663 5.216 4.550 0.006 0.000 0.341 503 Y C -3.284 172.554 175.900 -0.104 0.000 1.076 503 Y CA -3.304 54.822 58.100 0.045 0.000 1.029 503 Y CB 0.583 39.104 38.460 0.102 0.000 1.308 503 Y HN 0.405 nan 8.280 nan 0.000 0.461 504 P HA 0.043 nan 4.420 nan 0.000 0.263 504 P C 0.305 177.562 177.300 -0.071 0.000 1.195 504 P CA 0.246 63.215 63.100 -0.217 0.000 0.762 504 P CB 0.246 31.476 31.700 -0.784 0.000 0.799 505 F N 4.272 124.193 119.950 -0.049 0.000 2.216 505 F HA -0.154 4.377 4.527 0.006 0.000 0.300 505 F C 1.063 176.859 175.800 -0.007 0.000 1.085 505 F CA 1.689 59.685 58.000 -0.006 0.000 1.326 505 F CB -0.193 38.828 39.000 0.035 0.000 1.027 505 F HN 0.305 nan 8.300 nan 0.000 0.497 506 N N -0.672 118.080 118.700 0.086 0.000 2.251 506 N HA 0.045 4.788 4.740 0.006 0.000 0.217 506 N C -0.144 175.380 175.510 0.024 0.000 1.124 506 N CA -0.097 52.970 53.050 0.028 0.000 0.843 506 N CB 0.296 38.858 38.487 0.124 0.000 1.024 506 N HN -0.008 nan 8.380 nan 0.000 0.501 507 S N 0.767 116.465 115.700 -0.004 0.000 2.546 507 S HA 0.023 4.497 4.470 0.006 0.000 0.290 507 S C 0.982 175.599 174.600 0.028 0.000 1.290 507 S CA -0.245 58.004 58.200 0.081 0.000 1.069 507 S CB 0.267 63.442 63.200 -0.041 0.000 0.846 507 S HN 0.263 nan 8.310 nan 0.000 0.495 508 N N 2.876 121.608 118.700 0.052 0.000 2.383 508 N HA 0.061 4.805 4.740 0.006 0.000 0.192 508 N C 0.965 176.479 175.510 0.006 0.000 1.141 508 N CA 0.717 53.772 53.050 0.009 0.000 0.851 508 N CB 0.325 38.812 38.487 0.000 0.000 0.976 508 N HN 0.845 nan 8.380 nan 0.000 0.465 509 T N -2.927 111.644 114.554 0.028 0.000 1.832 509 T HA 0.538 4.892 4.350 0.006 0.000 0.171 509 T C 0.299 175.002 174.700 0.005 0.000 0.718 509 T CA -0.291 61.817 62.100 0.013 0.000 0.980 509 T CB 0.014 68.884 68.868 0.003 0.000 3.173 509 T HN -0.054 nan 8.240 nan 0.000 0.399 510 A N 1.384 124.209 122.820 0.009 0.000 2.462 510 A HA 0.592 4.916 4.320 0.006 0.000 0.243 510 A C 0.068 177.569 177.584 -0.138 0.000 1.076 510 A CA -0.151 51.872 52.037 -0.023 0.000 0.773 510 A CB -0.303 18.703 19.000 0.010 0.000 1.010 510 A HN 0.786 nan 8.150 nan 0.000 0.493 511 K N 2.647 122.976 120.400 -0.117 0.000 2.553 511 K HA 0.431 4.755 4.320 0.006 0.000 0.250 511 K C -1.428 175.077 176.600 -0.157 0.000 0.953 511 K CA -0.704 55.459 56.287 -0.206 0.000 0.800 511 K CB 0.981 33.376 32.500 -0.174 0.000 1.243 511 K HN 0.561 nan 8.250 nan 0.000 0.435 512 I N 4.210 124.602 120.570 -0.297 0.000 2.371 512 I HA 0.138 4.312 4.170 0.006 0.000 0.290 512 I C 1.247 177.210 176.117 -0.257 0.000 1.028 512 I CA -0.133 61.005 61.300 -0.269 0.000 1.345 512 I CB 0.805 38.490 38.000 -0.526 0.000 1.407 512 I HN 0.862 nan 8.210 nan 0.000 0.501 513 T N 1.435 115.868 114.554 -0.202 0.000 3.058 513 T HA 0.252 4.605 4.350 0.006 0.000 0.278 513 T C 0.079 174.594 174.700 -0.307 0.000 0.974 513 T CA -0.402 61.580 62.100 -0.198 0.000 0.893 513 T CB -0.260 68.539 68.868 -0.115 0.000 1.138 513 T HN 0.675 nan 8.240 nan 0.000 0.529 514 N N -0.966 117.476 118.700 -0.429 0.000 2.927 514 N HA 0.301 5.044 4.740 0.006 0.000 0.248 514 N C -0.153 174.867 175.510 -0.817 0.000 1.443 514 N CA -0.962 51.665 53.050 -0.705 0.000 0.870 514 N CB 0.281 38.330 38.487 -0.730 0.000 1.444 514 N HN -0.117 nan 8.380 nan 0.000 0.519 515 H N -0.789 117.848 119.070 -0.723 0.000 2.551 515 H HA 0.196 4.756 4.556 0.006 0.000 0.266 515 H C 1.479 176.513 175.328 -0.491 0.000 0.977 515 H CA 1.092 56.853 56.048 -0.479 0.000 1.163 515 H CB 0.104 29.624 29.762 -0.404 0.000 1.381 515 H HN 0.788 nan 8.280 nan 0.000 0.581 516 G N 1.003 109.366 108.800 -0.727 0.000 2.394 516 G HA2 -0.192 3.772 3.960 0.006 0.000 0.214 516 G HA3 -0.192 3.772 3.960 0.006 0.000 0.214 516 G C 1.340 176.182 174.900 -0.098 0.000 1.176 516 G CA 0.414 45.306 45.100 -0.347 0.000 0.786 516 G HN 0.268 nan 8.290 nan 0.000 0.533 517 D N 1.209 121.403 120.400 -0.343 0.000 2.092 517 D HA -0.100 4.543 4.640 0.006 0.000 0.193 517 D C 0.213 176.051 176.300 -0.769 0.000 0.994 517 D CA 1.518 55.063 54.000 -0.759 0.000 0.828 517 D CB -1.219 38.980 40.800 -1.001 0.000 0.963 517 D HN 0.270 nan 8.370 nan 0.000 0.450 518 P HA -0.081 nan 4.420 nan 0.000 0.217 518 P C 1.350 178.916 177.300 0.443 0.000 1.150 518 P CA 1.490 64.790 63.100 0.333 0.000 0.832 518 P CB -0.136 31.858 31.700 0.489 0.000 0.787 519 T N 0.213 114.944 114.554 0.296 0.000 2.746 519 T HA -0.141 4.212 4.350 0.006 0.000 0.267 519 T C 2.050 177.017 174.700 0.444 0.000 1.039 519 T CA 1.332 63.670 62.100 0.397 0.000 1.142 519 T CB -0.477 68.647 68.868 0.428 0.000 0.866 519 T HN 0.179 nan 8.240 nan 0.000 0.444 520 R N -0.386 120.303 120.500 0.316 0.000 2.075 520 R HA -0.098 4.246 4.340 0.006 0.000 0.232 520 R C 2.200 178.692 176.300 0.320 0.000 1.126 520 R CA 1.382 57.590 56.100 0.179 0.000 0.963 520 R CB -0.209 30.101 30.300 0.016 0.000 0.858 520 R HN 0.382 nan 8.270 nan 0.000 0.435 521 W N 0.226 121.736 121.300 0.350 0.000 2.363 521 W HA -0.204 4.460 4.660 0.006 0.000 0.296 521 W C 2.108 178.851 176.519 0.373 0.000 1.212 521 W CA 0.565 58.127 57.345 0.362 0.000 1.260 521 W CB -1.373 28.363 29.460 0.459 0.000 1.131 521 W HN 0.223 nan 8.180 nan 0.000 0.530 522 Y N 0.115 120.773 120.300 0.597 0.000 2.128 522 Y HA -0.360 4.193 4.550 0.006 0.000 0.284 522 Y C 2.710 178.752 175.900 0.236 0.000 1.154 522 Y CA 2.284 60.590 58.100 0.344 0.000 1.149 522 Y CB -1.460 37.002 38.460 0.002 0.000 0.976 522 Y HN -0.028 nan 8.280 nan 0.000 0.505 523 Y N 1.394 121.603 120.300 -0.153 0.000 2.114 523 Y HA -0.268 4.286 4.550 0.006 0.000 0.284 523 Y C 2.299 178.068 175.900 -0.218 0.000 1.143 523 Y CA 2.266 60.205 58.100 -0.270 0.000 1.135 523 Y CB -0.768 37.661 38.460 -0.050 0.000 0.980 523 Y HN 0.185 nan 8.280 nan 0.000 0.499 524 N N 0.063 118.864 118.700 0.169 0.000 2.149 524 N HA -0.148 4.595 4.740 0.006 0.000 0.188 524 N C 1.949 177.431 175.510 -0.047 0.000 1.019 524 N CA 1.526 54.632 53.050 0.094 0.000 0.857 524 N CB -1.006 37.596 38.487 0.192 0.000 0.997 524 N HN 0.568 nan 8.380 nan 0.000 0.426 525 G N -0.364 108.418 108.800 -0.031 0.000 2.464 525 G HA2 -0.098 3.865 3.960 0.006 0.000 0.217 525 G HA3 -0.098 3.865 3.960 0.006 0.000 0.217 525 G C 1.268 176.067 174.900 -0.167 0.000 1.138 525 G CA 0.354 45.430 45.100 -0.040 0.000 0.793 525 G HN 0.310 nan 8.290 nan 0.000 0.539 526 N N -0.977 117.501 118.700 -0.370 0.000 2.129 526 N HA 0.231 4.975 4.740 0.006 0.000 0.222 526 N C 1.348 176.586 175.510 -0.452 0.000 1.303 526 N CA -0.051 52.770 53.050 -0.381 0.000 0.897 526 N CB 1.015 39.238 38.487 -0.440 0.000 1.093 526 N HN 0.278 nan 8.380 nan 0.000 0.501 527 I N 0.506 120.693 120.570 -0.639 0.000 3.673 527 I HA 0.158 4.331 4.170 0.006 0.000 0.281 527 I C 2.209 177.883 176.117 -0.738 0.000 1.182 527 I CA 0.283 61.171 61.300 -0.687 0.000 1.391 527 I CB -0.026 37.454 38.000 -0.867 0.000 1.383 527 I HN -0.120 nan 8.210 nan 0.000 0.456 528 A N 2.170 124.537 122.820 -0.754 0.000 1.917 528 A HA -0.146 4.178 4.320 0.006 0.000 0.219 528 A C -0.276 177.118 177.584 -0.317 0.000 1.182 528 A CA 1.993 53.776 52.037 -0.423 0.000 0.633 528 A CB -2.016 16.873 19.000 -0.185 0.000 0.819 528 A HN 0.308 nan 8.150 nan 0.000 0.448 529 P HA 0.006 nan 4.420 nan 0.000 0.233 529 P C 0.054 177.177 177.300 -0.295 0.000 1.167 529 P CA 0.865 63.824 63.100 -0.235 0.000 0.770 529 P CB 0.032 31.619 31.700 -0.188 0.000 0.837 530 D N -1.097 119.021 120.400 -0.470 0.000 2.323 530 D HA 0.082 4.726 4.640 0.006 0.000 0.209 530 D C 1.675 177.654 176.300 -0.535 0.000 0.973 530 D CA 1.133 54.768 54.000 -0.608 0.000 0.874 530 D CB -0.390 39.723 40.800 -1.146 0.000 0.930 530 D HN 0.159 nan 8.370 nan 0.000 0.521 531 G N 0.149 108.706 108.800 -0.406 0.000 2.141 531 G HA2 -0.280 3.683 3.960 0.006 0.000 0.242 531 G HA3 -0.280 3.683 3.960 0.006 0.000 0.242 531 G C -0.111 174.733 174.900 -0.094 0.000 0.982 531 G CA -0.334 44.648 45.100 -0.197 0.000 0.662 531 G HN 0.166 nan 8.290 nan 0.000 0.527 532 Y N 1.724 121.947 120.300 -0.127 0.000 2.578 532 Y HA 0.305 4.858 4.550 0.006 0.000 0.339 532 Y C 1.029 176.812 175.900 -0.195 0.000 1.231 532 Y CA -1.249 56.766 58.100 -0.142 0.000 1.461 532 Y CB 0.373 38.744 38.460 -0.148 0.000 1.323 532 Y HN 0.150 nan 8.280 nan 0.000 0.590 533 D N 2.246 122.604 120.400 -0.070 0.000 2.317 533 D HA 0.271 4.915 4.640 0.006 0.000 0.252 533 D C -0.848 175.135 176.300 -0.530 0.000 1.174 533 D CA 0.118 53.889 54.000 -0.382 0.000 0.866 533 D CB 1.530 42.082 40.800 -0.413 0.000 1.127 533 D HN 0.148 nan 8.370 nan 0.000 0.467 534 V N 3.949 123.487 119.914 -0.627 0.000 2.443 534 V HA 0.321 4.444 4.120 0.006 0.000 0.293 534 V C -0.624 175.075 176.094 -0.658 0.000 1.021 534 V CA -0.802 61.236 62.300 -0.436 0.000 0.848 534 V CB 0.931 32.727 31.823 -0.045 0.000 0.998 534 V HN 0.302 nan 8.190 nan 0.000 0.424 535 F N 1.842 121.616 119.950 -0.294 0.000 2.469 535 F HA 0.705 5.235 4.527 0.006 0.000 0.332 535 F C 0.616 176.361 175.800 -0.091 0.000 1.103 535 F CA -0.578 57.180 58.000 -0.404 0.000 0.979 535 F CB 2.291 40.946 39.000 -0.575 0.000 1.137 535 F HN 0.306 nan 8.300 nan 0.000 0.463 536 T N 2.900 117.556 114.554 0.170 0.000 2.840 536 T HA 0.502 4.855 4.350 0.006 0.000 0.287 536 T C -0.828 174.088 174.700 0.361 0.000 0.991 536 T CA -0.581 61.677 62.100 0.264 0.000 0.964 536 T CB 1.428 70.425 68.868 0.214 0.000 0.954 536 T HN 0.243 nan 8.240 nan 0.000 0.438 537 V N 3.356 123.449 119.914 0.297 0.000 2.311 537 V HA 0.608 4.732 4.120 0.006 0.000 0.275 537 V C 0.881 177.073 176.094 0.164 0.000 1.022 537 V CA -0.682 61.752 62.300 0.225 0.000 0.830 537 V CB 1.263 33.215 31.823 0.216 0.000 1.012 537 V HN 1.025 nan 8.190 nan 0.000 0.452 538 G N 4.690 113.602 108.800 0.187 0.000 2.420 538 G HA2 0.630 4.594 3.960 0.006 0.000 0.284 538 G HA3 0.630 4.594 3.960 0.006 0.000 0.284 538 G C -0.600 174.349 174.900 0.082 0.000 1.177 538 G CA -0.456 44.766 45.100 0.204 0.000 0.841 538 G HN 0.650 nan 8.290 nan 0.000 0.527 539 I N 1.751 122.361 120.570 0.066 0.000 2.371 539 I HA 0.363 4.537 4.170 0.006 0.000 0.282 539 I C 1.070 177.207 176.117 0.034 0.000 1.031 539 I CA -0.026 61.294 61.300 0.033 0.000 1.180 539 I CB 1.477 39.487 38.000 0.018 0.000 1.336 539 I HN 0.841 nan 8.210 nan 0.000 0.467 540 G N 6.289 115.106 108.800 0.029 0.000 2.249 540 G HA2 -0.224 3.739 3.960 0.006 0.000 0.273 540 G HA3 -0.224 3.739 3.960 0.006 0.000 0.273 540 G C 0.292 175.216 174.900 0.040 0.000 1.036 540 G CA -0.460 44.656 45.100 0.027 0.000 0.824 540 G HN 0.527 nan 8.290 nan 0.000 0.504 541 I N 0.933 121.545 120.570 0.071 0.000 2.533 541 I HA 0.113 4.286 4.170 0.006 0.000 0.284 541 I C 0.958 177.107 176.117 0.054 0.000 1.109 541 I CA 0.696 62.041 61.300 0.076 0.000 1.412 541 I CB 0.662 38.749 38.000 0.144 0.000 1.396 541 I HN 0.439 nan 8.210 nan 0.000 0.543 542 N N 3.712 122.422 118.700 0.018 0.000 2.082 542 N HA 0.145 4.889 4.740 0.006 0.000 0.228 542 N C 0.782 176.271 175.510 -0.035 0.000 1.341 542 N CA 0.347 53.398 53.050 0.003 0.000 0.873 542 N CB 1.027 39.519 38.487 0.009 0.000 1.137 542 N HN 0.781 nan 8.380 nan 0.000 0.505 543 G N -0.181 108.579 108.800 -0.067 0.000 2.195 543 G HA2 -0.236 3.728 3.960 0.006 0.000 0.224 543 G HA3 -0.236 3.728 3.960 0.006 0.000 0.224 543 G C -0.783 174.052 174.900 -0.109 0.000 0.990 543 G CA 0.016 45.028 45.100 -0.147 0.000 0.639 543 G HN 0.381 nan 8.290 nan 0.000 0.514 544 D N 2.525 122.900 120.400 -0.042 0.000 2.424 544 D HA 0.458 5.102 4.640 0.006 0.000 0.244 544 D C -1.648 174.652 176.300 -0.000 0.000 1.134 544 D CA -0.329 53.669 54.000 -0.005 0.000 0.881 544 D CB 1.356 42.166 40.800 0.016 0.000 1.191 544 D HN 0.287 nan 8.370 nan 0.000 0.445 545 P HA 0.356 nan 4.420 nan 0.000 0.294 545 P C 0.532 177.872 177.300 0.067 0.000 1.294 545 P CA -0.530 62.602 63.100 0.053 0.000 0.827 545 P CB 1.796 33.541 31.700 0.076 0.000 0.992 546 G N 0.389 109.232 108.800 0.072 0.000 2.218 546 G HA2 -0.165 3.799 3.960 0.006 0.000 0.216 546 G HA3 -0.165 3.799 3.960 0.006 0.000 0.216 546 G C 0.227 175.167 174.900 0.067 0.000 0.994 546 G CA 0.384 45.549 45.100 0.108 0.000 0.637 546 G HN 0.891 nan 8.290 nan 0.000 0.505 547 T N -0.069 114.456 114.554 -0.050 0.000 2.618 547 T HA 0.571 4.925 4.350 0.006 0.000 0.286 547 T C -1.311 173.322 174.700 -0.111 0.000 1.027 547 T CA 0.754 62.781 62.100 -0.122 0.000 1.063 547 T CB 1.620 70.256 68.868 -0.387 0.000 1.440 547 T HN 0.495 nan 8.240 nan 0.000 0.505 548 D N -0.233 120.098 120.400 -0.116 0.000 2.621 548 D HA 0.406 5.050 4.640 0.006 0.000 0.255 548 D C 0.789 177.045 176.300 -0.074 0.000 1.122 548 D CA -0.514 53.446 54.000 -0.068 0.000 1.096 548 D CB 0.635 41.417 40.800 -0.031 0.000 1.282 548 D HN 0.538 nan 8.370 nan 0.000 0.619 549 E N -0.132 120.049 120.200 -0.031 0.000 2.112 549 E HA 0.012 4.365 4.350 0.006 0.000 0.190 549 E C 1.857 178.456 176.600 -0.002 0.000 0.979 549 E CA 1.563 57.957 56.400 -0.009 0.000 0.814 549 E CB -0.543 29.163 29.700 0.010 0.000 0.762 549 E HN 0.480 nan 8.360 nan 0.000 0.460 550 A N -0.088 122.731 122.820 -0.002 0.000 1.898 550 A HA -0.139 4.185 4.320 0.006 0.000 0.216 550 A C 2.425 180.007 177.584 -0.003 0.000 1.181 550 A CA 2.012 54.054 52.037 0.009 0.000 0.620 550 A CB -1.090 17.917 19.000 0.013 0.000 0.819 550 A HN 0.374 nan 8.150 nan 0.000 0.442 551 T N 0.426 114.960 114.554 -0.033 0.000 2.708 551 T HA -0.028 4.326 4.350 0.006 0.000 0.266 551 T C 2.259 176.915 174.700 -0.073 0.000 1.037 551 T CA 1.633 63.703 62.100 -0.049 0.000 1.146 551 T CB -0.529 68.271 68.868 -0.113 0.000 0.865 551 T HN 0.597 nan 8.240 nan 0.000 0.435 552 A N 1.368 124.107 122.820 -0.135 0.000 1.908 552 A HA -0.174 4.150 4.320 0.006 0.000 0.218 552 A C 2.564 180.128 177.584 -0.035 0.000 1.181 552 A CA 2.269 54.238 52.037 -0.114 0.000 0.627 552 A CB -1.354 17.580 19.000 -0.111 0.000 0.818 552 A HN 0.480 nan 8.150 nan 0.000 0.445 553 T N -0.725 113.827 114.554 -0.003 0.000 2.708 553 T HA -0.135 4.219 4.350 0.006 0.000 0.266 553 T C 2.295 176.958 174.700 -0.063 0.000 1.037 553 T CA 1.716 63.828 62.100 0.020 0.000 1.146 553 T CB -0.379 68.573 68.868 0.141 0.000 0.865 553 T HN 0.561 nan 8.240 nan 0.000 0.435 554 S N 0.569 116.261 115.700 -0.013 0.000 2.370 554 S HA -0.147 4.327 4.470 0.006 0.000 0.226 554 S C 1.788 176.344 174.600 -0.074 0.000 1.033 554 S CA 1.390 59.576 58.200 -0.023 0.000 1.011 554 S CB -0.590 62.619 63.200 0.015 0.000 0.852 554 S HN 0.488 nan 8.310 nan 0.000 0.457 555 F N 1.711 121.574 119.950 -0.144 0.000 2.102 555 F HA -0.038 4.493 4.527 0.006 0.000 0.298 555 F C 2.147 177.804 175.800 -0.238 0.000 1.105 555 F CA 1.719 59.636 58.000 -0.138 0.000 1.239 555 F CB -0.361 38.595 39.000 -0.073 0.000 0.991 555 F HN 0.191 nan 8.300 nan 0.000 0.474 556 M N 0.289 119.588 119.600 -0.501 0.000 2.175 556 M HA -0.195 4.289 4.480 0.006 0.000 0.264 556 M C 2.158 178.032 176.300 -0.711 0.000 1.063 556 M CA 1.495 56.322 55.300 -0.788 0.000 1.119 556 M CB -1.419 30.378 32.600 -1.339 0.000 1.377 556 M HN 0.335 nan 8.290 nan 0.000 0.415 557 Q N -0.153 119.336 119.800 -0.518 0.000 2.135 557 Q HA -0.154 4.189 4.340 0.006 0.000 0.204 557 Q C 2.060 177.859 176.000 -0.334 0.000 0.981 557 Q CA 2.126 57.780 55.803 -0.249 0.000 0.856 557 Q CB -0.245 28.437 28.738 -0.093 0.000 0.902 557 Q HN 0.648 nan 8.270 nan 0.000 0.425 558 S N 0.386 115.819 115.700 -0.444 0.000 2.522 558 S HA -0.039 4.435 4.470 0.006 0.000 0.227 558 S C 1.540 175.659 174.600 -0.802 0.000 0.986 558 S CA 0.400 58.329 58.200 -0.453 0.000 0.929 558 S CB -0.344 62.644 63.200 -0.353 0.000 0.769 558 S HN 0.506 nan 8.310 nan 0.000 0.529 559 I N -0.684 119.298 120.570 -0.982 0.000 3.856 559 I HA 0.490 4.663 4.170 0.006 0.000 0.333 559 I C -0.273 175.295 176.117 -0.915 0.000 1.525 559 I CA -0.603 59.883 61.300 -1.357 0.000 1.173 559 I CB 0.257 37.754 38.000 -0.838 0.000 1.175 559 I HN -0.015 nan 8.210 nan 0.000 0.424 560 S N 0.235 115.570 115.700 -0.607 0.000 2.638 560 S HA 0.344 4.818 4.470 0.006 0.000 0.302 560 S C 1.065 175.572 174.600 -0.156 0.000 1.096 560 S CA -0.132 57.912 58.200 -0.260 0.000 0.953 560 S CB 1.974 65.079 63.200 -0.157 0.000 1.107 560 S HN 0.466 nan 8.310 nan 0.000 0.503 561 S N 0.290 115.923 115.700 -0.110 0.000 2.489 561 S HA 0.061 4.535 4.470 0.006 0.000 0.228 561 S C 0.369 174.929 174.600 -0.067 0.000 0.995 561 S CA 0.304 58.471 58.200 -0.055 0.000 0.934 561 S CB -0.583 62.534 63.200 -0.139 0.000 0.771 561 S HN 0.753 nan 8.310 nan 0.000 0.522 562 K N -0.972 119.379 120.400 -0.083 0.000 2.555 562 K HA 0.489 4.812 4.320 0.006 0.000 0.279 562 K C -3.152 173.439 176.600 -0.014 0.000 0.986 562 K CA -1.941 54.324 56.287 -0.036 0.000 0.880 562 K CB 0.882 33.374 32.500 -0.014 0.000 1.474 562 K HN -0.298 nan 8.250 nan 0.000 0.433 563 P HA -0.121 nan 4.420 nan 0.000 0.217 563 P C 0.295 177.662 177.300 0.111 0.000 1.150 563 P CA 1.267 64.394 63.100 0.046 0.000 0.832 563 P CB 0.118 31.841 31.700 0.038 0.000 0.787 564 E N -0.720 119.548 120.200 0.113 0.000 2.333 564 E HA -0.132 4.222 4.350 0.006 0.000 0.198 564 E C 1.266 178.027 176.600 0.268 0.000 1.007 564 E CA 0.719 57.222 56.400 0.172 0.000 0.845 564 E CB -0.905 28.890 29.700 0.157 0.000 0.766 564 E HN 0.229 nan 8.360 nan 0.000 0.507 565 N N -0.462 118.327 118.700 0.149 0.000 2.398 565 N HA -0.027 4.717 4.740 0.006 0.000 0.188 565 N C -0.867 174.650 175.510 0.011 0.000 1.122 565 N CA 0.145 53.179 53.050 -0.026 0.000 0.866 565 N CB 0.169 38.544 38.487 -0.187 0.000 0.970 565 N HN 0.171 nan 8.380 nan 0.000 0.462 566 Y N 0.445 120.790 120.300 0.073 0.000 2.341 566 Y HA 0.486 5.039 4.550 0.006 0.000 0.337 566 Y C -0.669 175.377 175.900 0.243 0.000 1.014 566 Y CA -0.682 57.493 58.100 0.124 0.000 1.111 566 Y CB 1.099 39.574 38.460 0.025 0.000 1.194 566 Y HN -0.247 nan 8.280 nan 0.000 0.462 567 T N 5.956 120.294 114.554 -0.359 0.000 2.886 567 T HA 0.205 4.559 4.350 0.006 0.000 0.292 567 T C -1.277 172.976 174.700 -0.745 0.000 1.012 567 T CA -0.880 60.909 62.100 -0.518 0.000 0.982 567 T CB 0.894 69.668 68.868 -0.157 0.000 1.018 567 T HN 0.594 nan 8.240 nan 0.000 0.451 568 N N 2.108 120.406 118.700 -0.670 0.000 2.414 568 N HA 0.388 5.132 4.740 0.006 0.000 0.256 568 N C -0.770 174.656 175.510 -0.141 0.000 1.029 568 N CA -0.264 52.607 53.050 -0.298 0.000 0.948 568 N CB 0.659 39.081 38.487 -0.108 0.000 1.102 568 N HN 0.300 nan 8.380 nan 0.000 0.496 569 V N 3.229 123.097 119.914 -0.077 0.000 2.465 569 V HA 0.228 4.352 4.120 0.006 0.000 0.279 569 V C 1.101 177.178 176.094 -0.027 0.000 1.045 569 V CA -0.230 62.039 62.300 -0.052 0.000 0.938 569 V CB 1.379 33.179 31.823 -0.038 0.000 0.986 569 V HN 0.789 nan 8.190 nan 0.000 0.467 570 T N 1.389 115.927 114.554 -0.027 0.000 3.034 570 T HA 0.035 4.388 4.350 0.006 0.000 0.248 570 T C 0.575 175.267 174.700 -0.014 0.000 1.040 570 T CA 0.332 62.423 62.100 -0.015 0.000 1.107 570 T CB 0.021 68.880 68.868 -0.015 0.000 0.932 570 T HN 0.713 nan 8.240 nan 0.000 0.474 571 D N 2.264 122.652 120.400 -0.020 0.000 2.396 571 D HA 0.120 4.763 4.640 0.006 0.000 0.225 571 D C 1.410 177.697 176.300 -0.021 0.000 1.121 571 D CA -0.068 53.921 54.000 -0.019 0.000 0.853 571 D CB 1.363 42.150 40.800 -0.023 0.000 1.043 571 D HN 0.225 nan 8.370 nan 0.000 0.500 572 T N -0.178 114.366 114.554 -0.016 0.000 2.996 572 T HA -0.204 4.149 4.350 0.006 0.000 0.271 572 T C 1.608 176.296 174.700 -0.021 0.000 1.126 572 T CA 1.575 63.664 62.100 -0.017 0.000 1.103 572 T CB -0.537 68.323 68.868 -0.014 0.000 0.870 572 T HN 0.411 nan 8.240 nan 0.000 0.528 573 T N -1.078 113.462 114.554 -0.022 0.000 3.118 573 T HA 0.152 4.505 4.350 0.006 0.000 0.260 573 T C 1.429 176.111 174.700 -0.029 0.000 1.139 573 T CA 0.086 62.172 62.100 -0.024 0.000 1.085 573 T CB -0.144 68.711 68.868 -0.022 0.000 0.934 573 T HN 0.264 nan 8.240 nan 0.000 0.518 574 K N 0.402 120.783 120.400 -0.032 0.000 2.387 574 K HA 0.430 4.753 4.320 0.006 0.000 0.203 574 K C 1.547 178.122 176.600 -0.042 0.000 1.030 574 K CA -0.174 56.089 56.287 -0.040 0.000 1.099 574 K CB -0.024 32.448 32.500 -0.045 0.000 0.863 574 K HN 0.411 nan 8.250 nan 0.000 0.529 575 I N 0.793 121.344 120.570 -0.033 0.000 2.163 575 I HA -0.320 3.853 4.170 0.006 0.000 0.243 575 I C 2.173 178.269 176.117 -0.035 0.000 1.085 575 I CA 1.050 62.335 61.300 -0.026 0.000 1.347 575 I CB -0.309 37.680 38.000 -0.017 0.000 1.044 575 I HN 0.044 nan 8.210 nan 0.000 0.408 576 L N 1.071 122.267 121.223 -0.046 0.000 2.042 576 L HA -0.251 4.093 4.340 0.006 0.000 0.210 576 L C 2.514 179.351 176.870 -0.055 0.000 1.076 576 L CA 2.005 56.809 54.840 -0.060 0.000 0.749 576 L CB -0.855 41.169 42.059 -0.058 0.000 0.893 576 L HN 0.332 nan 8.230 nan 0.000 0.432 577 E N -1.183 118.985 120.200 -0.053 0.000 2.085 577 E HA -0.334 4.020 4.350 0.006 0.000 0.194 577 E C 2.130 178.680 176.600 -0.084 0.000 0.994 577 E CA 1.523 57.886 56.400 -0.061 0.000 0.801 577 E CB -0.084 29.577 29.700 -0.065 0.000 0.743 577 E HN 0.592 nan 8.360 nan 0.000 0.453 578 Q N 0.515 120.261 119.800 -0.090 0.000 2.123 578 Q HA -0.039 4.305 4.340 0.006 0.000 0.199 578 Q C 2.207 178.146 176.000 -0.103 0.000 0.966 578 Q CA 1.161 56.876 55.803 -0.147 0.000 0.845 578 Q CB -0.188 28.474 28.738 -0.127 0.000 0.907 578 Q HN 0.396 nan 8.270 nan 0.000 0.439 579 L N 0.395 121.616 121.223 -0.004 0.000 2.012 579 L HA -0.205 4.138 4.340 0.006 0.000 0.210 579 L C 2.233 179.112 176.870 0.015 0.000 1.073 579 L CA 1.428 56.289 54.840 0.034 0.000 0.748 579 L CB -0.634 41.356 42.059 -0.114 0.000 0.891 579 L HN 0.304 nan 8.230 nan 0.000 0.431 580 N N 0.354 119.052 118.700 -0.004 0.000 2.104 580 N HA -0.231 4.513 4.740 0.006 0.000 0.190 580 N C 1.927 177.579 175.510 0.238 0.000 1.024 580 N CA 1.368 54.499 53.050 0.136 0.000 0.853 580 N CB -0.113 38.431 38.487 0.096 0.000 1.008 580 N HN 0.120 nan 8.380 nan 0.000 0.424 581 R N -1.201 119.310 120.500 0.018 0.000 2.083 581 R HA -0.175 4.169 4.340 0.006 0.000 0.237 581 R C 1.651 177.938 176.300 -0.022 0.000 1.137 581 R CA 1.543 57.602 56.100 -0.069 0.000 0.951 581 R CB -0.321 29.828 30.300 -0.251 0.000 0.851 581 R HN 0.308 nan 8.270 nan 0.000 0.434 582 Y N -0.686 119.588 120.300 -0.044 0.000 2.263 582 Y HA -0.162 4.392 4.550 0.006 0.000 0.292 582 Y C 1.927 177.653 175.900 -0.289 0.000 1.130 582 Y CA 0.790 58.675 58.100 -0.358 0.000 1.179 582 Y CB -0.724 37.310 38.460 -0.711 0.000 0.998 582 Y HN 0.081 nan 8.280 nan 0.000 0.532 583 F N 0.702 120.668 119.950 0.026 0.000 2.091 583 F HA -0.280 4.251 4.527 0.006 0.000 0.299 583 F C 2.028 177.805 175.800 -0.037 0.000 1.103 583 F CA 1.980 59.991 58.000 0.019 0.000 1.228 583 F CB -0.858 38.060 39.000 -0.136 0.000 0.984 583 F HN 0.130 nan 8.300 nan 0.000 0.477 584 H N -1.075 117.942 119.070 -0.088 0.000 2.563 584 H HA 0.010 4.570 4.556 0.006 0.000 0.272 584 H C 2.094 177.386 175.328 -0.060 0.000 1.005 584 H CA 1.347 57.320 56.048 -0.125 0.000 1.171 584 H CB -0.434 29.309 29.762 -0.031 0.000 1.351 584 H HN 0.349 nan 8.280 nan 0.000 0.602 585 T N -2.117 112.481 114.554 0.074 0.000 3.081 585 T HA 0.001 4.354 4.350 0.006 0.000 0.255 585 T C 1.584 176.337 174.700 0.089 0.000 1.113 585 T CA 0.677 62.847 62.100 0.116 0.000 1.082 585 T CB -0.166 68.835 68.868 0.221 0.000 0.939 585 T HN 0.578 nan 8.240 nan 0.000 0.506 586 I N -0.693 119.886 120.570 0.016 0.000 4.227 586 I HA 0.466 4.640 4.170 0.006 0.000 0.334 586 I C -0.016 176.033 176.117 -0.112 0.000 1.341 586 I CA -0.761 60.549 61.300 0.015 0.000 1.123 586 I CB 0.806 38.881 38.000 0.126 0.000 1.097 586 I HN 0.118 nan 8.210 nan 0.000 0.399 587 V N -0.399 119.346 119.914 -0.282 0.000 2.914 587 V HA 0.748 4.871 4.120 0.006 0.000 0.314 587 V C 0.051 176.040 176.094 -0.176 0.000 1.084 587 V CA -0.075 62.050 62.300 -0.291 0.000 0.963 587 V CB 1.417 32.898 31.823 -0.569 0.000 1.025 587 V HN 0.303 nan 8.190 nan 0.000 0.432 588 T N -0.235 114.277 114.554 -0.069 0.000 2.902 588 T HA 0.628 4.981 4.350 0.006 0.000 0.283 588 T C -0.401 174.311 174.700 0.021 0.000 1.009 588 T CA -0.383 61.719 62.100 0.003 0.000 1.051 588 T CB 1.653 70.532 68.868 0.019 0.000 0.999 588 T HN 1.183 nan 8.240 nan 0.000 0.474 589 E N 1.803 122.052 120.200 0.081 0.000 2.191 589 E HA 0.459 4.812 4.350 0.006 0.000 0.278 589 E C -1.024 175.560 176.600 -0.026 0.000 0.972 589 E CA -0.869 55.540 56.400 0.015 0.000 0.804 589 E CB 0.894 30.723 29.700 0.215 0.000 1.110 589 E HN 0.629 nan 8.360 nan 0.000 0.394 590 K N 3.102 123.440 120.400 -0.103 0.000 2.468 590 K HA 0.341 4.664 4.320 0.006 0.000 0.252 590 K C -1.010 175.541 176.600 -0.080 0.000 0.932 590 K CA -0.857 55.397 56.287 -0.055 0.000 0.794 590 K CB 2.146 34.622 32.500 -0.040 0.000 1.241 590 K HN 0.374 nan 8.250 nan 0.000 0.428 591 K N 0.722 121.102 120.400 -0.033 0.000 2.144 591 K HA 0.092 4.415 4.320 0.006 0.000 0.270 591 K C 1.040 177.620 176.600 -0.033 0.000 1.005 591 K CA -0.180 56.088 56.287 -0.031 0.000 0.932 591 K CB 1.316 33.827 32.500 0.019 0.000 1.021 591 K HN 0.714 nan 8.250 nan 0.000 0.462 592 S N 1.923 117.596 115.700 -0.046 0.000 2.436 592 S HA 0.003 4.477 4.470 0.006 0.000 0.228 592 S C 0.854 175.425 174.600 -0.048 0.000 1.014 592 S CA 0.366 58.537 58.200 -0.049 0.000 0.950 592 S CB -0.130 63.037 63.200 -0.056 0.000 0.784 592 S HN 0.484 nan 8.310 nan 0.000 0.504 593 I N 1.866 122.409 120.570 -0.044 0.000 2.328 593 I HA 0.431 4.604 4.170 0.006 0.000 0.287 593 I C -0.419 175.633 176.117 -0.108 0.000 1.012 593 I CA -0.239 61.020 61.300 -0.067 0.000 1.195 593 I CB 1.442 39.411 38.000 -0.050 0.000 1.350 593 I HN 0.233 nan 8.210 nan 0.000 0.464 594 E N 6.786 126.880 120.200 -0.176 0.000 2.373 594 E HA 0.218 4.571 4.350 0.006 0.000 0.251 594 E C -0.269 176.023 176.600 -0.514 0.000 0.923 594 E CA -0.530 55.696 56.400 -0.290 0.000 0.798 594 E CB 0.630 30.289 29.700 -0.067 0.000 1.303 594 E HN 0.512 nan 8.360 nan 0.000 0.412 595 N N 2.838 120.823 118.700 -1.191 0.000 2.714 595 N HA -0.154 4.589 4.740 0.006 0.000 0.253 595 N C -0.511 174.790 175.510 -0.349 0.000 1.024 595 N CA 1.129 53.695 53.050 -0.806 0.000 0.726 595 N CB -0.868 37.409 38.487 -0.350 0.000 0.908 595 N HN 0.650 nan 8.380 nan 0.000 0.542 596 G N -0.280 108.340 108.800 -0.299 0.000 2.569 596 G HA2 0.485 4.448 3.960 0.006 0.000 0.249 596 G HA3 0.485 4.448 3.960 0.006 0.000 0.249 596 G C -0.379 174.490 174.900 -0.050 0.000 1.216 596 G CA 0.247 45.279 45.100 -0.113 0.000 0.845 596 G HN 0.307 nan 8.290 nan 0.000 0.568 597 T N 0.980 115.549 114.554 0.026 0.000 2.848 597 T HA 0.433 4.787 4.350 0.006 0.000 0.285 597 T C -0.048 174.726 174.700 0.123 0.000 0.995 597 T CA -0.159 61.968 62.100 0.046 0.000 0.970 597 T CB 1.277 70.144 68.868 -0.002 0.000 0.976 597 T HN 0.350 nan 8.240 nan 0.000 0.441 598 I N 2.692 123.321 120.570 0.099 0.000 2.353 598 I HA 0.365 4.538 4.170 0.006 0.000 0.293 598 I C 0.232 176.380 176.117 0.052 0.000 0.992 598 I CA -0.464 60.910 61.300 0.123 0.000 1.268 598 I CB 1.474 39.516 38.000 0.071 0.000 1.387 598 I HN 0.501 nan 8.210 nan 0.000 0.478 599 T N 3.875 118.475 114.554 0.076 0.000 2.786 599 T HA 0.269 4.622 4.350 0.006 0.000 0.283 599 T C -0.746 173.946 174.700 -0.013 0.000 0.992 599 T CA -0.396 61.720 62.100 0.026 0.000 0.954 599 T CB 1.082 69.995 68.868 0.076 0.000 0.934 599 T HN 0.461 nan 8.240 nan 0.000 0.440 600 D N 4.278 124.640 120.400 -0.064 0.000 2.405 600 D HA 0.326 4.970 4.640 0.006 0.000 0.264 600 D C -2.698 173.563 176.300 -0.065 0.000 1.240 600 D CA -2.054 51.898 54.000 -0.080 0.000 0.893 600 D CB 1.231 41.952 40.800 -0.131 0.000 1.198 600 D HN 0.140 nan 8.370 nan 0.000 0.514 601 P HA 0.196 nan 4.420 nan 0.000 0.276 601 P C 0.240 177.553 177.300 0.022 0.000 1.230 601 P CA -0.567 62.525 63.100 -0.014 0.000 0.776 601 P CB 0.540 32.242 31.700 0.002 0.000 0.888 602 M N 1.944 121.565 119.600 0.035 0.000 2.249 602 M HA 0.148 4.631 4.480 0.006 0.000 0.340 602 M C 1.398 177.745 176.300 0.078 0.000 1.166 602 M CA 0.273 55.617 55.300 0.075 0.000 1.115 602 M CB -0.469 32.185 32.600 0.090 0.000 1.606 602 M HN 0.443 nan 8.290 nan 0.000 0.448 603 G N 2.456 111.316 108.800 0.100 0.000 2.614 603 G HA2 0.104 4.067 3.960 0.006 0.000 0.239 603 G HA3 0.104 4.067 3.960 0.006 0.000 0.239 603 G C 0.050 175.012 174.900 0.103 0.000 1.240 603 G CA -0.578 44.589 45.100 0.112 0.000 0.842 603 G HN 0.671 nan 8.290 nan 0.000 0.584 604 E N 0.410 120.683 120.200 0.123 0.000 2.502 604 E HA -0.050 4.304 4.350 0.006 0.000 0.261 604 E C 1.143 177.779 176.600 0.059 0.000 0.974 604 E CA 0.306 56.773 56.400 0.111 0.000 0.936 604 E CB 0.479 30.273 29.700 0.158 0.000 0.926 604 E HN 0.486 nan 8.360 nan 0.000 0.459 605 L N 1.648 122.856 121.223 -0.025 0.000 4.001 605 L HA -0.238 4.106 4.340 0.006 0.000 0.413 605 L C -0.198 176.597 176.870 -0.124 0.000 1.185 605 L CA 0.384 55.135 54.840 -0.148 0.000 0.963 605 L CB -1.200 40.594 42.059 -0.442 0.000 1.976 605 L HN 0.499 nan 8.230 nan 0.000 0.939 606 I N 0.661 121.224 120.570 -0.012 0.000 2.410 606 I HA 0.340 4.514 4.170 0.006 0.000 0.286 606 I C 0.148 176.301 176.117 0.061 0.000 1.009 606 I CA -0.110 61.212 61.300 0.037 0.000 1.111 606 I CB 1.655 39.704 38.000 0.082 0.000 1.262 606 I HN -0.050 nan 8.210 nan 0.000 0.443 607 D N 6.255 126.694 120.400 0.064 0.000 2.280 607 D HA 0.240 4.883 4.640 0.006 0.000 0.236 607 D C -0.016 176.335 176.300 0.085 0.000 1.082 607 D CA -0.595 53.447 54.000 0.071 0.000 0.834 607 D CB 2.766 43.600 40.800 0.057 0.000 1.100 607 D HN 0.228 nan 8.370 nan 0.000 0.486 608 L N 2.782 124.045 121.223 0.068 0.000 2.499 608 L HA -0.042 4.302 4.340 0.006 0.000 0.273 608 L C 0.178 177.068 176.870 0.032 0.000 1.195 608 L CA 0.353 55.217 54.840 0.040 0.000 0.882 608 L CB 0.293 42.254 42.059 -0.163 0.000 1.133 608 L HN 0.175 nan 8.230 nan 0.000 0.483 609 Q N 6.412 126.263 119.800 0.085 0.000 2.307 609 Q HA 0.169 4.512 4.340 0.006 0.000 0.261 609 Q C 0.232 176.261 176.000 0.049 0.000 1.051 609 Q CA 0.275 56.116 55.803 0.063 0.000 0.911 609 Q CB 0.898 29.680 28.738 0.073 0.000 1.227 609 Q HN 0.726 nan 8.270 nan 0.000 0.418 610 L N 1.169 122.407 121.223 0.024 0.000 2.667 610 L HA 0.206 4.550 4.340 0.006 0.000 0.232 610 L C 1.078 177.955 176.870 0.010 0.000 1.138 610 L CA -0.071 54.781 54.840 0.021 0.000 0.921 610 L CB -0.204 41.869 42.059 0.023 0.000 1.180 610 L HN 0.839 nan 8.230 nan 0.000 0.487 611 G N 0.701 109.507 108.800 0.010 0.000 2.726 611 G HA2 -0.340 3.624 3.960 0.006 0.000 0.261 611 G HA3 -0.340 3.624 3.960 0.006 0.000 0.261 611 G C 0.726 175.628 174.900 0.005 0.000 1.352 611 G CA 0.193 45.294 45.100 0.002 0.000 0.906 611 G HN 0.189 nan 8.290 nan 0.000 0.566 612 T N 0.927 115.481 114.554 0.000 0.000 2.803 612 T HA -0.144 4.210 4.350 0.006 0.000 0.269 612 T C 2.007 176.712 174.700 0.009 0.000 1.052 612 T CA 2.201 64.304 62.100 0.004 0.000 1.136 612 T CB -0.401 68.466 68.868 -0.001 0.000 0.864 612 T HN 0.863 nan 8.240 nan 0.000 0.467 613 D N 1.271 121.675 120.400 0.007 0.000 2.350 613 D HA 0.026 4.670 4.640 0.006 0.000 0.216 613 D C 1.687 178.004 176.300 0.027 0.000 0.968 613 D CA 0.801 54.809 54.000 0.014 0.000 0.894 613 D CB -1.057 39.748 40.800 0.009 0.000 0.909 613 D HN 0.485 nan 8.370 nan 0.000 0.520 614 G N 0.672 109.490 108.800 0.030 0.000 2.233 614 G HA2 -0.355 3.609 3.960 0.006 0.000 0.270 614 G HA3 -0.355 3.609 3.960 0.006 0.000 0.270 614 G C 0.132 175.074 174.900 0.070 0.000 1.011 614 G CA 0.369 45.497 45.100 0.046 0.000 0.762 614 G HN 0.481 nan 8.290 nan 0.000 0.511 615 R N -1.326 119.217 120.500 0.070 0.000 2.621 615 R HA 0.480 4.823 4.340 0.006 0.000 0.292 615 R C -0.558 175.817 176.300 0.125 0.000 0.969 615 R CA -1.048 55.119 56.100 0.113 0.000 0.887 615 R CB 1.204 31.558 30.300 0.090 0.000 1.180 615 R HN 0.103 nan 8.270 nan 0.000 0.450 616 F N 4.772 124.737 119.950 0.026 0.000 2.541 616 F HA 0.037 4.568 4.527 0.006 0.000 0.378 616 F C 0.186 176.037 175.800 0.085 0.000 1.068 616 F CA 0.635 58.640 58.000 0.009 0.000 1.199 616 F CB 0.267 39.270 39.000 0.006 0.000 1.091 616 F HN 0.557 nan 8.300 nan 0.000 0.555 617 D N 5.803 125.940 120.400 -0.439 0.000 2.665 617 D HA 0.220 4.863 4.640 0.006 0.000 0.287 617 D C -2.840 173.257 176.300 -0.339 0.000 1.266 617 D CA -1.527 52.330 54.000 -0.237 0.000 0.830 617 D CB 1.514 42.256 40.800 -0.097 0.000 1.356 617 D HN 0.136 nan 8.370 nan 0.000 0.437 618 P HA -0.027 nan 4.420 nan 0.000 0.219 618 P C 1.271 178.244 177.300 -0.546 0.000 1.146 618 P CA 2.185 64.978 63.100 -0.510 0.000 0.808 618 P CB -0.052 31.481 31.700 -0.278 0.000 0.779 619 A N -0.238 122.393 122.820 -0.314 0.000 2.131 619 A HA -0.182 4.142 4.320 0.006 0.000 0.220 619 A C 1.547 179.005 177.584 -0.210 0.000 1.158 619 A CA 1.702 53.602 52.037 -0.228 0.000 0.665 619 A CB -0.939 17.978 19.000 -0.138 0.000 0.795 619 A HN 0.132 nan 8.150 nan 0.000 0.460 620 D N -2.362 117.881 120.400 -0.262 0.000 2.349 620 D HA 0.240 4.883 4.640 0.006 0.000 0.214 620 D C -0.012 176.332 176.300 0.073 0.000 1.063 620 D CA 0.434 54.372 54.000 -0.103 0.000 0.847 620 D CB 0.134 40.848 40.800 -0.142 0.000 0.933 620 D HN 0.710 nan 8.370 nan 0.000 0.513 621 Y N -1.285 118.964 120.300 -0.086 0.000 2.638 621 Y HA 0.548 5.102 4.550 0.006 0.000 0.335 621 Y C -0.703 175.219 175.900 0.037 0.000 1.155 621 Y CA -1.389 56.749 58.100 0.064 0.000 1.046 621 Y CB 0.842 39.385 38.460 0.137 0.000 1.303 621 Y HN -0.212 nan 8.280 nan 0.000 0.460 622 T N 0.602 115.272 114.554 0.193 0.000 2.887 622 T HA 0.730 5.084 4.350 0.006 0.000 0.288 622 T C -1.851 173.029 174.700 0.300 0.000 1.021 622 T CA -0.671 61.490 62.100 0.101 0.000 1.000 622 T CB 1.840 70.725 68.868 0.029 0.000 1.034 622 T HN 0.941 nan 8.240 nan 0.000 0.467 623 L N 2.970 124.337 121.223 0.240 0.000 2.446 623 L HA 0.704 5.048 4.340 0.006 0.000 0.268 623 L C -0.223 176.719 176.870 0.120 0.000 0.975 623 L CA 0.113 55.080 54.840 0.211 0.000 0.848 623 L CB 1.849 44.069 42.059 0.270 0.000 1.225 623 L HN 1.226 nan 8.230 nan 0.000 0.410 624 T N 1.728 116.332 114.554 0.083 0.000 2.901 624 T HA 1.017 5.370 4.350 0.006 0.000 0.293 624 T C -0.568 174.164 174.700 0.053 0.000 1.084 624 T CA -0.321 61.812 62.100 0.054 0.000 1.008 624 T CB 2.010 70.897 68.868 0.030 0.000 1.170 624 T HN 0.861 nan 8.240 nan 0.000 0.509 625 A N 1.146 123.992 122.820 0.043 0.000 2.566 625 A HA 0.684 5.008 4.320 0.006 0.000 0.292 625 A C 0.566 178.168 177.584 0.030 0.000 1.112 625 A CA -0.784 51.278 52.037 0.041 0.000 0.707 625 A CB 1.241 20.270 19.000 0.049 0.000 1.302 625 A HN 0.913 nan 8.150 nan 0.000 0.409 626 N N 0.183 118.899 118.700 0.028 0.000 2.449 626 N HA -0.084 4.659 4.740 0.006 0.000 0.191 626 N C 0.067 175.588 175.510 0.018 0.000 1.161 626 N CA 1.020 54.083 53.050 0.021 0.000 0.863 626 N CB 0.046 38.545 38.487 0.019 0.000 0.980 626 N HN 0.654 nan 8.380 nan 0.000 0.458 627 D N -1.078 119.334 120.400 0.020 0.000 2.328 627 D HA 0.125 4.768 4.640 0.006 0.000 0.226 627 D C 1.160 177.468 176.300 0.013 0.000 1.066 627 D CA 0.399 54.408 54.000 0.016 0.000 0.861 627 D CB -0.562 40.249 40.800 0.017 0.000 0.912 627 D HN 0.289 nan 8.370 nan 0.000 0.521 628 G N 0.441 109.249 108.800 0.015 0.000 2.159 628 G HA2 -0.294 3.670 3.960 0.006 0.000 0.256 628 G HA3 -0.294 3.670 3.960 0.006 0.000 0.256 628 G C 0.394 175.303 174.900 0.014 0.000 0.977 628 G CA 0.483 45.590 45.100 0.012 0.000 0.652 628 G HN 0.806 nan 8.290 nan 0.000 0.531 629 S N -0.230 115.482 115.700 0.020 0.000 2.614 629 S HA 0.799 5.273 4.470 0.006 0.000 0.265 629 S C 0.226 174.844 174.600 0.030 0.000 1.303 629 S CA 0.414 58.628 58.200 0.024 0.000 1.000 629 S CB 1.599 64.816 63.200 0.028 0.000 0.935 629 S HN 1.441 nan 8.310 nan 0.000 0.551 630 R N 0.410 120.929 120.500 0.032 0.000 2.680 630 R HA 0.496 4.840 4.340 0.006 0.000 0.269 630 R C -1.626 174.703 176.300 0.047 0.000 1.026 630 R CA -1.025 55.097 56.100 0.037 0.000 0.889 630 R CB 0.674 30.985 30.300 0.018 0.000 1.241 630 R HN 0.586 nan 8.270 nan 0.000 0.463 631 L N 1.484 122.750 121.223 0.070 0.000 2.319 631 L HA 0.363 4.707 4.340 0.006 0.000 0.280 631 L C 0.021 176.901 176.870 0.016 0.000 1.099 631 L CA -0.050 54.835 54.840 0.076 0.000 0.828 631 L CB 1.004 43.165 42.059 0.170 0.000 1.150 631 L HN 0.718 nan 8.230 nan 0.000 0.442 632 E N 3.942 124.146 120.200 0.007 0.000 2.216 632 E HA 0.114 4.468 4.350 0.006 0.000 0.260 632 E C -0.234 176.351 176.600 -0.025 0.000 0.880 632 E CA -0.630 55.754 56.400 -0.026 0.000 0.765 632 E CB 0.867 30.557 29.700 -0.017 0.000 1.174 632 E HN 0.581 nan 8.360 nan 0.000 0.417 633 N N 3.626 122.291 118.700 -0.059 0.000 2.710 633 N HA -0.256 4.487 4.740 0.006 0.000 0.249 633 N C 0.522 176.033 175.510 0.001 0.000 1.059 633 N CA 1.907 54.930 53.050 -0.045 0.000 0.720 633 N CB -1.173 37.295 38.487 -0.031 0.000 0.983 633 N HN 0.963 nan 8.380 nan 0.000 0.544 634 G N -2.442 106.378 108.800 0.034 0.000 2.199 634 G HA2 -0.306 3.657 3.960 0.006 0.000 0.254 634 G HA3 -0.306 3.657 3.960 0.006 0.000 0.254 634 G C -0.336 174.613 174.900 0.082 0.000 0.982 634 G CA 0.632 45.792 45.100 0.100 0.000 0.632 634 G HN 0.541 nan 8.290 nan 0.000 0.529 635 Q N 0.118 119.949 119.800 0.052 0.000 2.309 635 Q HA 0.736 5.080 4.340 0.006 0.000 0.264 635 Q C 0.151 176.176 176.000 0.043 0.000 1.008 635 Q CA 0.029 55.858 55.803 0.043 0.000 0.853 635 Q CB 1.815 30.569 28.738 0.026 0.000 1.314 635 Q HN 0.858 nan 8.270 nan 0.000 0.448 636 A N 2.033 124.878 122.820 0.043 0.000 2.309 636 A HA 0.580 4.904 4.320 0.006 0.000 0.290 636 A C 0.129 177.728 177.584 0.025 0.000 1.206 636 A CA -0.387 51.674 52.037 0.041 0.000 0.850 636 A CB 0.093 19.120 19.000 0.045 0.000 1.118 636 A HN 0.518 nan 8.150 nan 0.000 0.523 637 V N 0.403 120.330 119.914 0.022 0.000 3.102 637 V HA 1.009 5.133 4.120 0.006 0.000 0.312 637 V C 0.531 176.631 176.094 0.011 0.000 1.135 637 V CA -0.015 62.293 62.300 0.012 0.000 1.022 637 V CB 0.831 32.658 31.823 0.007 0.000 1.056 637 V HN 2.708 nan 8.190 nan 0.000 0.436 638 G N 0.131 108.935 108.800 0.006 0.000 2.632 638 G HA2 0.458 4.421 3.960 0.006 0.000 0.224 638 G HA3 0.458 4.421 3.960 0.006 0.000 0.224 638 G C 0.861 175.765 174.900 0.006 0.000 1.341 638 G CA 0.221 45.324 45.100 0.005 0.000 0.880 638 G HN 3.292 nan 8.290 nan 0.000 0.566 639 G N -1.917 106.887 108.800 0.007 0.000 2.758 639 G HA2 0.286 4.249 3.960 0.006 0.000 0.686 639 G HA3 0.286 4.249 3.960 0.006 0.000 0.686 639 G C -0.797 174.104 174.900 0.001 0.000 1.389 639 G CA 0.488 45.591 45.100 0.006 0.000 0.845 639 G HN 1.325 nan 8.290 nan 0.000 0.572 640 P HA -0.068 nan 4.420 nan 0.000 0.222 640 P C 1.038 178.334 177.300 -0.006 0.000 1.147 640 P CA 1.333 64.432 63.100 -0.003 0.000 0.790 640 P CB 0.197 31.895 31.700 -0.003 0.000 0.780 641 Q N -1.196 118.600 119.800 -0.007 0.000 2.282 641 Q HA 0.105 4.449 4.340 0.006 0.000 0.206 641 Q C 0.359 176.354 176.000 -0.008 0.000 0.878 641 Q CA -0.328 55.470 55.803 -0.009 0.000 0.944 641 Q CB -1.028 27.702 28.738 -0.013 0.000 1.100 641 Q HN 0.116 nan 8.270 nan 0.000 0.509 642 N N 2.260 120.957 118.700 -0.005 0.000 2.740 642 N HA -0.163 4.581 4.740 0.006 0.000 0.248 642 N C -0.998 174.509 175.510 -0.004 0.000 1.062 642 N CA 1.077 54.125 53.050 -0.004 0.000 0.704 642 N CB -0.738 37.746 38.487 -0.004 0.000 0.968 642 N HN 0.434 nan 8.380 nan 0.000 0.547 643 D N -2.366 118.031 120.400 -0.005 0.000 2.540 643 D HA 0.343 4.987 4.640 0.006 0.000 0.229 643 D C 1.301 177.599 176.300 -0.003 0.000 1.250 643 D CA 0.533 54.529 54.000 -0.007 0.000 0.817 643 D CB -0.270 40.522 40.800 -0.013 0.000 1.060 643 D HN 0.393 nan 8.370 nan 0.000 0.508 644 G N 0.015 108.817 108.800 0.003 0.000 2.195 644 G HA2 -0.116 3.848 3.960 0.006 0.000 0.246 644 G HA3 -0.116 3.848 3.960 0.006 0.000 0.246 644 G C 1.143 176.051 174.900 0.014 0.000 0.984 644 G CA 0.544 45.651 45.100 0.012 0.000 0.633 644 G HN 1.182 nan 8.290 nan 0.000 0.525 645 G N 0.249 109.052 108.800 0.005 0.000 2.627 645 G HA2 -0.306 3.657 3.960 0.006 0.000 0.312 645 G HA3 -0.306 3.657 3.960 0.006 0.000 0.312 645 G C 1.252 176.161 174.900 0.015 0.000 1.299 645 G CA 1.098 46.203 45.100 0.007 0.000 0.989 645 G HN 1.291 nan 8.290 nan 0.000 0.547 646 L N 0.163 121.405 121.223 0.031 0.000 2.261 646 L HA 0.023 4.367 4.340 0.006 0.000 0.216 646 L C 2.475 179.391 176.870 0.076 0.000 1.114 646 L CA 0.958 55.831 54.840 0.055 0.000 0.777 646 L CB -0.376 41.719 42.059 0.060 0.000 0.910 646 L HN 0.389 nan 8.230 nan 0.000 0.440 647 L N -0.658 120.602 121.223 0.062 0.000 2.628 647 L HA 0.013 4.356 4.340 0.006 0.000 0.229 647 L C 2.208 179.117 176.870 0.065 0.000 1.137 647 L CA -0.025 54.860 54.840 0.076 0.000 0.909 647 L CB -0.279 41.825 42.059 0.075 0.000 1.137 647 L HN 0.196 nan 8.230 nan 0.000 0.470 648 K N 1.467 121.890 120.400 0.038 0.000 2.127 648 K HA -0.212 4.112 4.320 0.006 0.000 0.208 648 K C 0.842 177.459 176.600 0.028 0.000 1.047 648 K CA 2.007 58.303 56.287 0.015 0.000 0.927 648 K CB 0.056 32.541 32.500 -0.026 0.000 0.716 648 K HN 0.420 nan 8.250 nan 0.000 0.450 649 N N -0.760 117.973 118.700 0.056 0.000 2.200 649 N HA 0.179 4.923 4.740 0.006 0.000 0.224 649 N C -1.151 174.434 175.510 0.125 0.000 1.179 649 N CA -0.360 52.743 53.050 0.087 0.000 0.877 649 N CB 1.392 39.938 38.487 0.098 0.000 1.072 649 N HN 0.143 nan 8.380 nan 0.000 0.519 650 A N 0.928 123.816 122.820 0.113 0.000 2.354 650 A HA 0.550 4.874 4.320 0.006 0.000 0.269 650 A C -0.038 177.596 177.584 0.084 0.000 1.109 650 A CA 0.136 52.235 52.037 0.104 0.000 0.800 650 A CB 0.557 19.619 19.000 0.104 0.000 1.045 650 A HN 0.103 nan 8.150 nan 0.000 0.489 651 K N 0.607 121.045 120.400 0.063 0.000 2.426 651 K HA 0.598 4.921 4.320 0.006 0.000 0.251 651 K C -1.477 175.129 176.600 0.010 0.000 0.941 651 K CA -0.457 55.860 56.287 0.050 0.000 0.808 651 K CB 2.533 35.059 32.500 0.044 0.000 1.265 651 K HN 0.391 nan 8.250 nan 0.000 0.432 652 V N 4.429 124.327 119.914 -0.026 0.000 2.357 652 V HA 0.480 4.604 4.120 0.006 0.000 0.284 652 V C -0.631 175.443 176.094 -0.034 0.000 1.018 652 V CA -0.787 61.433 62.300 -0.133 0.000 0.841 652 V CB 0.672 32.207 31.823 -0.480 0.000 0.991 652 V HN 0.539 nan 8.190 nan 0.000 0.437 653 L N 4.531 125.704 121.223 -0.084 0.000 2.341 653 L HA 0.654 4.997 4.340 0.006 0.000 0.267 653 L C -1.244 175.456 176.870 -0.283 0.000 1.009 653 L CA -0.937 53.853 54.840 -0.084 0.000 0.819 653 L CB 2.139 44.156 42.059 -0.070 0.000 1.323 653 L HN 0.616 nan 8.230 nan 0.000 0.425 654 Y N 0.970 120.992 120.300 -0.463 0.000 2.331 654 Y HA 0.372 4.926 4.550 0.006 0.000 0.326 654 Y C -1.249 174.466 175.900 -0.309 0.000 1.020 654 Y CA -1.188 56.525 58.100 -0.645 0.000 1.136 654 Y CB 1.280 39.031 38.460 -1.182 0.000 1.157 654 Y HN 0.490 nan 8.280 nan 0.000 0.444 655 D N 4.244 124.182 120.400 -0.771 0.000 2.313 655 D HA 0.114 4.757 4.640 0.006 0.000 0.239 655 D C 1.154 176.929 176.300 -0.874 0.000 1.142 655 D CA 0.214 53.864 54.000 -0.584 0.000 0.847 655 D CB 1.815 42.399 40.800 -0.361 0.000 1.082 655 D HN 0.780 nan 8.370 nan 0.000 0.480 656 T N -1.112 113.097 114.554 -0.575 0.000 2.951 656 T HA -0.117 4.237 4.350 0.006 0.000 0.268 656 T C 1.708 176.263 174.700 -0.240 0.000 1.073 656 T CA 0.889 62.745 62.100 -0.408 0.000 1.134 656 T CB -0.065 68.755 68.868 -0.080 0.000 0.884 656 T HN 0.195 nan 8.240 nan 0.000 0.479 657 T N 2.091 116.526 114.554 -0.198 0.000 2.770 657 T HA 0.014 4.367 4.350 0.006 0.000 0.263 657 T C 1.666 176.286 174.700 -0.133 0.000 1.039 657 T CA 1.411 63.438 62.100 -0.122 0.000 1.142 657 T CB -0.258 68.552 68.868 -0.097 0.000 0.868 657 T HN 0.485 nan 8.240 nan 0.000 0.435 658 E N 0.733 120.819 120.200 -0.190 0.000 2.478 658 E HA 0.169 4.523 4.350 0.006 0.000 0.194 658 E C 0.154 176.653 176.600 -0.169 0.000 1.045 658 E CA -0.017 56.291 56.400 -0.155 0.000 0.868 658 E CB -0.106 29.504 29.700 -0.149 0.000 0.885 658 E HN 0.350 nan 8.360 nan 0.000 0.505 659 K N 0.758 121.003 120.400 -0.258 0.000 3.451 659 K HA -0.268 4.056 4.320 0.006 0.000 0.273 659 K C -0.263 176.261 176.600 -0.127 0.000 0.944 659 K CA 0.399 56.583 56.287 -0.172 0.000 0.734 659 K CB -1.301 31.211 32.500 0.019 0.000 1.437 659 K HN 0.100 nan 8.250 nan 0.000 0.454 660 R N 1.138 121.441 120.500 -0.329 0.000 2.564 660 R HA 0.444 4.788 4.340 0.006 0.000 0.284 660 R C -0.908 175.264 176.300 -0.213 0.000 1.031 660 R CA -0.769 55.218 56.100 -0.188 0.000 0.904 660 R CB 1.194 31.392 30.300 -0.169 0.000 1.199 660 R HN 0.182 nan 8.270 nan 0.000 0.443 661 I N 3.944 124.411 120.570 -0.171 0.000 2.396 661 I HA 0.398 4.572 4.170 0.006 0.000 0.292 661 I C 0.102 176.106 176.117 -0.188 0.000 0.999 661 I CA -0.650 60.501 61.300 -0.249 0.000 1.310 661 I CB 1.531 39.310 38.000 -0.368 0.000 1.404 661 I HN 0.500 nan 8.210 nan 0.000 0.496 662 R N 4.450 124.845 120.500 -0.175 0.000 2.670 662 R HA 0.683 5.027 4.340 0.006 0.000 0.289 662 R C -1.436 174.809 176.300 -0.092 0.000 0.965 662 R CA -0.769 55.265 56.100 -0.110 0.000 0.899 662 R CB 2.488 32.733 30.300 -0.093 0.000 1.173 662 R HN 0.311 nan 8.270 nan 0.000 0.456 663 V N 2.308 122.192 119.914 -0.050 0.000 2.409 663 V HA 0.408 4.532 4.120 0.006 0.000 0.291 663 V C 0.150 176.243 176.094 -0.002 0.000 1.020 663 V CA -0.698 61.589 62.300 -0.022 0.000 0.848 663 V CB 1.489 33.315 31.823 0.004 0.000 0.990 663 V HN 0.966 nan 8.190 nan 0.000 0.430 664 T N 0.294 114.849 114.554 0.001 0.000 2.950 664 T HA 0.713 5.067 4.350 0.006 0.000 0.288 664 T C 0.712 175.430 174.700 0.030 0.000 1.035 664 T CA -0.030 62.072 62.100 0.003 0.000 1.028 664 T CB 1.716 70.581 68.868 -0.004 0.000 1.109 664 T HN 1.903 nan 8.240 nan 0.000 0.514 665 G N 0.959 109.768 108.800 0.015 0.000 2.204 665 G HA2 -0.152 3.812 3.960 0.006 0.000 0.244 665 G HA3 -0.152 3.812 3.960 0.006 0.000 0.244 665 G C -0.239 174.725 174.900 0.107 0.000 1.062 665 G CA -0.139 45.021 45.100 0.099 0.000 0.798 665 G HN 0.883 nan 8.290 nan 0.000 0.496 666 L N -0.084 121.095 121.223 -0.074 0.000 2.305 666 L HA 0.610 4.953 4.340 0.006 0.000 0.281 666 L C -0.136 176.607 176.870 -0.212 0.000 1.085 666 L CA -0.873 53.950 54.840 -0.027 0.000 0.813 666 L CB 0.864 42.909 42.059 -0.023 0.000 1.157 666 L HN 0.171 nan 8.230 nan 0.000 0.436 667 Y N 4.638 124.951 120.300 0.021 0.000 2.373 667 Y HA 0.584 5.138 4.550 0.006 0.000 0.327 667 Y C -0.554 175.351 175.900 0.009 0.000 1.036 667 Y CA -0.498 57.610 58.100 0.012 0.000 1.265 667 Y CB 1.267 39.733 38.460 0.010 0.000 1.108 667 Y HN 0.336 nan 8.280 nan 0.000 0.471 668 L N 2.556 123.838 121.223 0.100 0.000 2.464 668 L HA 0.859 5.203 4.340 0.006 0.000 0.266 668 L C 0.393 177.280 176.870 0.028 0.000 0.965 668 L CA -0.752 54.124 54.840 0.059 0.000 0.833 668 L CB 2.344 44.425 42.059 0.037 0.000 1.296 668 L HN 0.718 nan 8.230 nan 0.000 0.405 669 G N 0.653 109.467 108.800 0.024 0.000 2.828 669 G HA2 0.464 4.427 3.960 0.006 0.000 0.244 669 G HA3 0.464 4.427 3.960 0.006 0.000 0.244 669 G C -0.523 174.375 174.900 -0.004 0.000 1.365 669 G CA -0.466 44.633 45.100 -0.002 0.000 1.041 669 G HN 0.374 nan 8.290 nan 0.000 0.560 670 T N 1.228 115.777 114.554 -0.009 0.000 2.928 670 T HA 0.245 4.598 4.350 0.006 0.000 0.305 670 T C 0.057 174.763 174.700 0.010 0.000 1.035 670 T CA 1.076 63.175 62.100 -0.001 0.000 1.145 670 T CB 0.295 69.169 68.868 0.011 0.000 0.963 670 T HN 0.566 nan 8.240 nan 0.000 0.545 671 D N 1.413 121.816 120.400 0.005 0.000 3.059 671 D HA -0.134 4.509 4.640 0.006 0.000 0.220 671 D C -0.013 176.295 176.300 0.013 0.000 1.169 671 D CA 1.052 55.056 54.000 0.008 0.000 0.902 671 D CB -0.708 40.098 40.800 0.010 0.000 1.116 671 D HN 0.719 nan 8.370 nan 0.000 0.417 672 E N 0.478 120.687 120.200 0.015 0.000 2.145 672 E HA 0.483 4.836 4.350 0.006 0.000 0.270 672 E C 0.069 176.683 176.600 0.025 0.000 0.906 672 E CA -0.534 55.881 56.400 0.024 0.000 0.761 672 E CB 2.470 32.189 29.700 0.032 0.000 1.116 672 E HN 0.009 nan 8.360 nan 0.000 0.408 673 K N 2.482 122.900 120.400 0.030 0.000 2.513 673 K HA 0.450 4.774 4.320 0.006 0.000 0.251 673 K C -1.580 175.048 176.600 0.045 0.000 0.939 673 K CA -0.618 55.689 56.287 0.034 0.000 0.793 673 K CB 1.857 34.372 32.500 0.025 0.000 1.241 673 K HN 0.262 nan 8.250 nan 0.000 0.431 674 V N 2.317 122.266 119.914 0.059 0.000 2.667 674 V HA 0.514 4.637 4.120 0.006 0.000 0.308 674 V C -0.634 175.505 176.094 0.076 0.000 1.048 674 V CA -0.567 61.775 62.300 0.069 0.000 0.928 674 V CB 2.169 34.041 31.823 0.082 0.000 1.004 674 V HN 0.890 nan 8.190 nan 0.000 0.444 675 T N 5.024 119.618 114.554 0.067 0.000 2.841 675 T HA 0.599 4.953 4.350 0.006 0.000 0.285 675 T C -0.949 173.794 174.700 0.073 0.000 0.991 675 T CA -0.285 61.848 62.100 0.055 0.000 0.966 675 T CB 1.406 70.281 68.868 0.011 0.000 0.962 675 T HN 0.449 nan 8.240 nan 0.000 0.438 676 L N 3.997 125.272 121.223 0.086 0.000 2.322 676 L HA 0.821 5.165 4.340 0.006 0.000 0.281 676 L C 0.018 176.958 176.870 0.117 0.000 1.014 676 L CA -0.008 54.920 54.840 0.146 0.000 0.815 676 L CB 1.611 43.775 42.059 0.174 0.000 1.247 676 L HN 0.810 nan 8.230 nan 0.000 0.421 677 T N 1.555 116.205 114.554 0.160 0.000 2.907 677 T HA 0.843 5.196 4.350 0.006 0.000 0.292 677 T C -0.802 174.076 174.700 0.298 0.000 1.043 677 T CA -0.430 61.725 62.100 0.092 0.000 1.003 677 T CB 1.666 70.524 68.868 -0.017 0.000 1.084 677 T HN 0.760 nan 8.240 nan 0.000 0.483 678 Y N -1.161 119.264 120.300 0.209 0.000 2.750 678 Y HA 0.715 5.268 4.550 0.006 0.000 0.335 678 Y C -1.617 174.388 175.900 0.175 0.000 1.252 678 Y CA -1.445 56.774 58.100 0.198 0.000 1.064 678 Y CB 0.619 39.207 38.460 0.214 0.000 1.321 678 Y HN 0.625 nan 8.280 nan 0.000 0.451 679 N N 0.692 119.573 118.700 0.301 0.000 2.319 679 N HA 0.680 5.424 4.740 0.006 0.000 0.305 679 N C -1.226 174.430 175.510 0.243 0.000 1.103 679 N CA -0.513 52.638 53.050 0.167 0.000 0.815 679 N CB 2.637 41.186 38.487 0.104 0.000 1.288 679 N HN 0.820 nan 8.380 nan 0.000 0.493 680 V N -0.969 119.056 119.914 0.184 0.000 3.102 680 V HA 0.739 4.862 4.120 0.006 0.000 0.312 680 V C -0.501 175.690 176.094 0.161 0.000 1.135 680 V CA -0.979 61.436 62.300 0.191 0.000 1.022 680 V CB 2.643 34.595 31.823 0.214 0.000 1.056 680 V HN 0.682 nan 8.190 nan 0.000 0.436 681 R N 1.658 122.237 120.500 0.132 0.000 2.621 681 R HA 0.606 4.950 4.340 0.006 0.000 0.284 681 R C -1.528 174.823 176.300 0.086 0.000 0.998 681 R CA -0.925 55.239 56.100 0.108 0.000 0.895 681 R CB 1.950 32.286 30.300 0.060 0.000 1.195 681 R HN 0.927 nan 8.270 nan 0.000 0.450 682 L N 4.077 125.347 121.223 0.079 0.000 2.559 682 L HA 0.077 4.420 4.340 0.006 0.000 0.274 682 L C 0.141 177.023 176.870 0.019 0.000 1.205 682 L CA 0.645 55.486 54.840 0.002 0.000 0.907 682 L CB 0.238 42.255 42.059 -0.070 0.000 1.153 682 L HN 0.612 nan 8.230 nan 0.000 0.490 683 N N 3.091 121.789 118.700 -0.002 0.000 2.441 683 N HA -0.093 4.651 4.740 0.006 0.000 0.251 683 N C 0.267 175.860 175.510 0.139 0.000 1.242 683 N CA -0.208 52.863 53.050 0.035 0.000 0.898 683 N CB 0.821 39.299 38.487 -0.015 0.000 1.100 683 N HN 0.648 nan 8.380 nan 0.000 0.443 684 D N 1.344 121.814 120.400 0.117 0.000 2.311 684 D HA -0.115 4.528 4.640 0.006 0.000 0.212 684 D C 0.408 176.702 176.300 -0.010 0.000 0.972 684 D CA 1.118 55.197 54.000 0.131 0.000 0.887 684 D CB 0.238 41.067 40.800 0.049 0.000 0.915 684 D HN 0.584 nan 8.370 nan 0.000 0.497 685 E N 0.326 120.508 120.200 -0.030 0.000 2.444 685 E HA 0.027 4.381 4.350 0.006 0.000 0.191 685 E C 0.491 177.003 176.600 -0.146 0.000 1.041 685 E CA -0.399 55.927 56.400 -0.123 0.000 0.883 685 E CB -0.483 29.181 29.700 -0.061 0.000 1.024 685 E HN 0.357 nan 8.360 nan 0.000 0.470 686 F N -0.079 119.820 119.950 -0.085 0.000 2.650 686 F HA 0.030 4.561 4.527 0.006 0.000 0.355 686 F C 0.492 176.343 175.800 0.085 0.000 1.163 686 F CA -0.870 57.090 58.000 -0.066 0.000 1.374 686 F CB 0.037 38.996 39.000 -0.069 0.000 1.065 686 F HN -0.355 nan 8.300 nan 0.000 0.616 687 V N 2.784 122.953 119.914 0.425 0.000 2.461 687 V HA 0.116 4.239 4.120 0.006 0.000 0.275 687 V C 0.523 176.847 176.094 0.382 0.000 1.047 687 V CA -0.669 61.786 62.300 0.259 0.000 0.955 687 V CB 0.824 32.768 31.823 0.202 0.000 0.988 687 V HN 0.984 nan 8.190 nan 0.000 0.471 688 S N 5.112 120.961 115.700 0.248 0.000 2.593 688 S HA -0.002 4.472 4.470 0.006 0.000 0.300 688 S C 1.248 175.924 174.600 0.127 0.000 1.267 688 S CA 0.649 59.019 58.200 0.283 0.000 1.065 688 S CB -0.423 62.868 63.200 0.151 0.000 0.807 688 S HN 0.975 nan 8.310 nan 0.000 0.499 689 N N 0.574 119.295 118.700 0.036 0.000 2.967 689 N HA -0.167 4.576 4.740 0.006 0.000 0.212 689 N C -0.226 175.127 175.510 -0.261 0.000 0.884 689 N CA 1.350 54.320 53.050 -0.133 0.000 1.030 689 N CB -0.933 37.504 38.487 -0.084 0.000 1.018 689 N HN 0.757 nan 8.380 nan 0.000 0.596 690 K N 0.416 120.727 120.400 -0.148 0.000 2.276 690 K HA 0.239 4.563 4.320 0.006 0.000 0.283 690 K C -0.595 175.814 176.600 -0.318 0.000 1.044 690 K CA -0.225 55.937 56.287 -0.209 0.000 0.944 690 K CB 0.227 32.623 32.500 -0.173 0.000 1.012 690 K HN -0.129 nan 8.250 nan 0.000 0.472 691 F N 3.974 123.804 119.950 -0.200 0.000 2.420 691 F HA 0.218 4.748 4.527 0.006 0.000 0.352 691 F C -0.397 175.247 175.800 -0.260 0.000 1.108 691 F CA 0.015 57.938 58.000 -0.129 0.000 1.162 691 F CB 0.558 39.514 39.000 -0.074 0.000 1.118 691 F HN 0.414 nan 8.300 nan 0.000 0.510 692 Y N 2.000 122.413 120.300 0.187 0.000 2.341 692 Y HA 0.256 4.810 4.550 0.006 0.000 0.337 692 Y C 0.144 176.111 175.900 0.111 0.000 1.014 692 Y CA -1.224 56.949 58.100 0.121 0.000 1.111 692 Y CB 0.762 39.272 38.460 0.082 0.000 1.194 692 Y HN 0.458 nan 8.280 nan 0.000 0.462 693 D N 1.027 121.549 120.400 0.204 0.000 2.488 693 D HA -0.030 4.613 4.640 0.006 0.000 0.238 693 D C 1.281 177.675 176.300 0.157 0.000 1.138 693 D CA 0.446 54.535 54.000 0.150 0.000 0.873 693 D CB 1.104 41.978 40.800 0.122 0.000 1.183 693 D HN 0.730 nan 8.370 nan 0.000 0.458 694 T N -0.685 113.938 114.554 0.114 0.000 2.995 694 T HA -0.082 4.272 4.350 0.006 0.000 0.269 694 T C 0.576 175.351 174.700 0.126 0.000 1.091 694 T CA 0.403 62.566 62.100 0.106 0.000 1.128 694 T CB 0.063 68.970 68.868 0.066 0.000 0.891 694 T HN 0.229 nan 8.240 nan 0.000 0.492 695 N N 0.128 118.899 118.700 0.119 0.000 2.405 695 N HA 0.637 5.380 4.740 0.006 0.000 0.285 695 N C 0.166 175.736 175.510 0.100 0.000 1.262 695 N CA -0.473 52.642 53.050 0.108 0.000 0.773 695 N CB 1.199 39.745 38.487 0.099 0.000 1.490 695 N HN 0.257 nan 8.380 nan 0.000 0.486 696 G N -0.715 108.134 108.800 0.082 0.000 2.504 696 G HA2 0.176 4.140 3.960 0.006 0.000 0.257 696 G HA3 0.176 4.140 3.960 0.006 0.000 0.257 696 G C -0.280 174.672 174.900 0.087 0.000 1.451 696 G CA -0.515 44.632 45.100 0.078 0.000 1.059 696 G HN 0.524 nan 8.290 nan 0.000 0.550 697 R N 0.128 120.679 120.500 0.085 0.000 2.446 697 R HA 0.098 4.442 4.340 0.006 0.000 0.325 697 R C -0.635 175.730 176.300 0.109 0.000 0.997 697 R CA 0.302 56.465 56.100 0.105 0.000 1.010 697 R CB -0.541 29.815 30.300 0.094 0.000 0.946 697 R HN 0.305 nan 8.270 nan 0.000 0.422 698 T N 4.316 118.957 114.554 0.145 0.000 2.744 698 T HA 0.278 4.631 4.350 0.006 0.000 0.291 698 T C -0.176 174.720 174.700 0.326 0.000 0.957 698 T CA -0.461 61.727 62.100 0.145 0.000 1.002 698 T CB 1.418 70.317 68.868 0.052 0.000 0.919 698 T HN 0.707 nan 8.240 nan 0.000 0.468 699 T N 0.932 115.670 114.554 0.307 0.000 2.903 699 T HA 0.702 5.056 4.350 0.006 0.000 0.299 699 T C -1.092 173.835 174.700 0.378 0.000 1.093 699 T CA -1.023 61.253 62.100 0.293 0.000 1.002 699 T CB 1.554 70.482 68.868 0.099 0.000 1.127 699 T HN 0.349 nan 8.240 nan 0.000 0.488 700 L N 1.936 123.285 121.223 0.210 0.000 2.313 700 L HA 0.617 4.961 4.340 0.006 0.000 0.283 700 L C -1.237 175.620 176.870 -0.022 0.000 1.013 700 L CA -0.483 54.450 54.840 0.154 0.000 0.816 700 L CB 0.879 42.946 42.059 0.014 0.000 1.236 700 L HN 0.841 nan 8.230 nan 0.000 0.419 701 H N 6.244 125.330 119.070 0.026 0.000 2.690 701 H HA 0.358 4.917 4.556 0.006 0.000 0.289 701 H C -1.874 173.433 175.328 -0.035 0.000 1.089 701 H CA -1.614 54.428 56.048 -0.011 0.000 1.299 701 H CB 1.009 30.763 29.762 -0.014 0.000 1.405 701 H HN 0.493 nan 8.280 nan 0.000 0.463 702 P HA -0.113 nan 4.420 nan 0.000 0.220 702 P C -0.613 176.666 177.300 -0.035 0.000 1.148 702 P CA 1.278 64.364 63.100 -0.023 0.000 0.803 702 P CB 0.443 32.114 31.700 -0.049 0.000 0.782 703 K N -0.703 119.693 120.400 -0.007 0.000 2.565 703 K HA 0.185 4.509 4.320 0.006 0.000 0.249 703 K C 0.341 176.934 176.600 -0.011 0.000 0.958 703 K CA -0.552 55.713 56.287 -0.037 0.000 0.806 703 K CB 2.073 34.555 32.500 -0.031 0.000 1.194 703 K HN -0.201 nan 8.250 nan 0.000 0.434 704 E N 1.184 121.355 120.200 -0.048 0.000 2.160 704 E HA -0.158 4.196 4.350 0.006 0.000 0.195 704 E C 1.635 178.220 176.600 -0.025 0.000 0.991 704 E CA 1.094 57.465 56.400 -0.048 0.000 0.810 704 E CB 0.215 29.876 29.700 -0.065 0.000 0.742 704 E HN 0.377 nan 8.360 nan 0.000 0.466 705 V N 1.465 121.369 119.914 -0.017 0.000 2.392 705 V HA -0.221 3.903 4.120 0.006 0.000 0.249 705 V C 0.633 176.729 176.094 0.004 0.000 1.059 705 V CA 1.579 63.875 62.300 -0.005 0.000 1.051 705 V CB -0.140 31.682 31.823 -0.002 0.000 0.658 705 V HN 0.197 nan 8.190 nan 0.000 0.455 706 E N -0.144 120.064 120.200 0.014 0.000 2.167 706 E HA 0.138 4.491 4.350 0.006 0.000 0.247 706 E C 0.518 177.160 176.600 0.071 0.000 0.961 706 E CA -0.242 56.175 56.400 0.028 0.000 0.797 706 E CB 1.129 30.840 29.700 0.017 0.000 1.182 706 E HN 0.336 nan 8.360 nan 0.000 0.437 707 Q N 2.192 122.030 119.800 0.064 0.000 2.364 707 Q HA -0.112 4.231 4.340 0.006 0.000 0.209 707 Q C 0.506 176.605 176.000 0.165 0.000 0.977 707 Q CA 1.570 57.439 55.803 0.111 0.000 0.885 707 Q CB 0.049 28.808 28.738 0.034 0.000 0.941 707 Q HN 0.408 nan 8.270 nan 0.000 0.464 708 N N -1.381 117.372 118.700 0.087 0.000 2.230 708 N HA 0.069 4.813 4.740 0.006 0.000 0.202 708 N C -0.915 174.601 175.510 0.011 0.000 1.119 708 N CA 0.022 53.105 53.050 0.055 0.000 0.851 708 N CB 0.795 39.299 38.487 0.029 0.000 0.990 708 N HN -0.049 nan 8.380 nan 0.000 0.497 709 T N 1.474 116.033 114.554 0.007 0.000 2.762 709 T HA 0.349 4.703 4.350 0.006 0.000 0.303 709 T C -0.381 174.224 174.700 -0.158 0.000 0.977 709 T CA -0.245 61.822 62.100 -0.054 0.000 0.961 709 T CB 1.177 70.023 68.868 -0.036 0.000 0.944 709 T HN -0.242 nan 8.240 nan 0.000 0.481 710 V N 5.066 124.852 119.914 -0.214 0.000 2.638 710 V HA 0.597 4.721 4.120 0.006 0.000 0.306 710 V C -0.451 175.516 176.094 -0.213 0.000 1.052 710 V CA -1.175 60.915 62.300 -0.350 0.000 0.885 710 V CB 1.983 33.611 31.823 -0.325 0.000 0.999 710 V HN 0.633 nan 8.190 nan 0.000 0.424 711 R N 2.098 122.470 120.500 -0.213 0.000 2.437 711 R HA 0.492 4.836 4.340 0.006 0.000 0.310 711 R C -0.934 175.272 176.300 -0.155 0.000 0.955 711 R CA -0.733 55.247 56.100 -0.201 0.000 0.851 711 R CB 1.554 31.704 30.300 -0.250 0.000 1.161 711 R HN 0.664 nan 8.270 nan 0.000 0.446 712 D N 2.615 122.950 120.400 -0.109 0.000 2.350 712 D HA 0.161 4.804 4.640 0.006 0.000 0.249 712 D C -0.024 176.278 176.300 0.004 0.000 1.119 712 D CA 0.262 54.296 54.000 0.057 0.000 0.886 712 D CB 0.838 41.767 40.800 0.215 0.000 1.195 712 D HN 0.156 nan 8.370 nan 0.000 0.437 713 F N 2.572 122.568 119.950 0.077 0.000 2.382 713 F HA 0.231 4.761 4.527 0.006 0.000 0.331 713 F C -1.367 174.521 175.800 0.147 0.000 1.121 713 F CA -1.568 56.486 58.000 0.091 0.000 1.183 713 F CB 0.620 39.664 39.000 0.073 0.000 1.207 713 F HN 0.126 nan 8.300 nan 0.000 0.555 714 P HA 0.251 nan 4.420 nan 0.000 0.276 714 P C -0.926 176.385 177.300 0.020 0.000 1.252 714 P CA -0.120 62.852 63.100 -0.214 0.000 0.802 714 P CB 1.331 32.731 31.700 -0.500 0.000 1.035 715 I N 1.101 121.723 120.570 0.085 0.000 2.447 715 I HA 0.339 4.512 4.170 0.006 0.000 0.287 715 I C -2.506 173.688 176.117 0.130 0.000 1.023 715 I CA -2.883 58.505 61.300 0.148 0.000 1.083 715 I CB 1.392 39.495 38.000 0.173 0.000 1.245 715 I HN 0.091 nan 8.210 nan 0.000 0.434 716 P HA 0.396 nan 4.420 nan 0.000 0.274 716 P C -0.953 176.365 177.300 0.030 0.000 1.256 716 P CA -0.438 62.681 63.100 0.031 0.000 0.795 716 P CB 0.843 32.538 31.700 -0.010 0.000 1.038 717 K N 0.519 120.922 120.400 0.006 0.000 2.469 717 K HA 0.709 5.033 4.320 0.006 0.000 0.254 717 K C -0.657 176.028 176.600 0.142 0.000 0.939 717 K CA -0.574 55.768 56.287 0.091 0.000 0.812 717 K CB 1.623 34.156 32.500 0.055 0.000 1.301 717 K HN 0.441 nan 8.250 nan 0.000 0.433 718 I N -1.878 118.818 120.570 0.211 0.000 2.865 718 I HA 0.733 4.907 4.170 0.006 0.000 0.302 718 I C -0.963 175.236 176.117 0.137 0.000 1.140 718 I CA -1.088 60.270 61.300 0.097 0.000 1.021 718 I CB 2.437 40.290 38.000 -0.245 0.000 1.233 718 I HN 0.680 nan 8.210 nan 0.000 0.427 719 R N 1.478 121.935 120.500 -0.072 0.000 2.795 719 R HA 0.780 5.124 4.340 0.006 0.000 0.268 719 R C -1.896 174.224 176.300 -0.299 0.000 1.041 719 R CA -0.760 55.184 56.100 -0.259 0.000 0.927 719 R CB 1.720 31.571 30.300 -0.749 0.000 1.235 719 R HN 0.667 nan 8.270 nan 0.000 0.463 720 D N -0.568 119.566 120.400 -0.443 0.000 2.596 720 D HA 0.403 5.047 4.640 0.006 0.000 0.262 720 D C -1.821 174.339 176.300 -0.233 0.000 1.210 720 D CA -0.569 53.145 54.000 -0.478 0.000 0.873 720 D CB 2.841 43.108 40.800 -0.888 0.000 1.408 720 D HN 0.348 nan 8.370 nan 0.000 0.441 721 V N 1.726 121.611 119.914 -0.048 0.000 2.448 721 V HA 0.545 4.669 4.120 0.006 0.000 0.295 721 V C -0.386 175.861 176.094 0.256 0.000 1.025 721 V CA -0.642 61.731 62.300 0.122 0.000 0.859 721 V CB 1.527 33.376 31.823 0.043 0.000 0.988 721 V HN 0.561 nan 8.190 nan 0.000 0.431 722 R N 4.672 125.371 120.500 0.331 0.000 2.490 722 R HA 0.350 4.694 4.340 0.006 0.000 0.280 722 R C -0.038 176.338 176.300 0.127 0.000 1.077 722 R CA -0.317 55.929 56.100 0.243 0.000 1.065 722 R CB 0.652 30.982 30.300 0.050 0.000 1.003 722 R HN 0.717 nan 8.270 nan 0.000 0.470 723 K N 2.852 123.293 120.400 0.067 0.000 2.295 723 K HA 0.057 4.381 4.320 0.006 0.000 0.270 723 K C -0.848 175.738 176.600 -0.023 0.000 1.011 723 K CA -0.065 56.199 56.287 -0.039 0.000 0.953 723 K CB 0.554 32.993 32.500 -0.101 0.000 0.956 723 K HN 0.405 nan 8.250 nan 0.000 0.477 724 Y N 0.028 120.315 120.300 -0.023 0.000 2.420 724 Y HA 0.507 5.062 4.550 0.007 0.000 0.334 724 Y C -2.689 173.180 175.900 -0.052 0.000 1.094 724 Y CA -3.901 54.173 58.100 -0.042 0.000 1.126 724 Y CB 0.402 38.836 38.460 -0.044 0.000 1.217 724 Y HN 0.409 nan 8.280 nan 0.000 0.462 725 P HA 0.083 nan 4.420 nan 0.000 0.276 725 P C -0.991 176.370 177.300 0.101 0.000 1.235 725 P CA -0.086 63.032 63.100 0.029 0.000 0.772 725 P CB 1.363 33.058 31.700 -0.008 0.000 0.871 726 E N 3.960 124.168 120.200 0.012 0.000 2.141 726 E HA 0.299 4.653 4.350 0.006 0.000 0.259 726 E C -0.780 175.773 176.600 -0.078 0.000 0.883 726 E CA -0.795 55.606 56.400 0.002 0.000 0.744 726 E CB 0.492 30.213 29.700 0.035 0.000 1.150 726 E HN 0.329 nan 8.360 nan 0.000 0.420 727 I N 3.391 123.870 120.570 -0.152 0.000 2.441 727 I HA 0.104 4.278 4.170 0.006 0.000 0.287 727 I C 0.286 176.306 176.117 -0.162 0.000 1.049 727 I CA 0.081 61.263 61.300 -0.196 0.000 1.381 727 I CB 1.445 39.217 38.000 -0.379 0.000 1.409 727 I HN 0.365 nan 8.210 nan 0.000 0.523 728 T N 7.379 121.877 114.554 -0.095 0.000 2.749 728 T HA 0.546 4.899 4.350 0.006 0.000 0.287 728 T C -0.052 174.635 174.700 -0.022 0.000 0.970 728 T CA -0.275 61.791 62.100 -0.057 0.000 0.980 728 T CB 0.485 69.335 68.868 -0.031 0.000 0.924 728 T HN 0.255 nan 8.240 nan 0.000 0.456 729 I N 2.723 123.288 120.570 -0.008 0.000 2.312 729 I HA 0.211 4.384 4.170 0.006 0.000 0.290 729 I C 0.480 176.631 176.117 0.056 0.000 1.008 729 I CA -0.354 60.986 61.300 0.068 0.000 1.226 729 I CB 1.325 39.406 38.000 0.136 0.000 1.371 729 I HN 0.498 nan 8.210 nan 0.000 0.468 730 S N 6.839 122.582 115.700 0.072 0.000 2.430 730 S HA 0.234 4.707 4.470 0.006 0.000 0.282 730 S C 0.020 174.673 174.600 0.090 0.000 1.186 730 S CA -0.544 57.694 58.200 0.063 0.000 1.060 730 S CB 0.048 63.287 63.200 0.066 0.000 0.966 730 S HN 0.365 nan 8.310 nan 0.000 0.501 731 K N 2.867 123.307 120.400 0.067 0.000 2.110 731 K HA 0.257 4.581 4.320 0.006 0.000 0.263 731 K C -0.133 176.627 176.600 0.266 0.000 0.975 731 K CA -0.653 55.715 56.287 0.136 0.000 0.895 731 K CB 0.887 33.395 32.500 0.014 0.000 1.060 731 K HN 0.533 nan 8.250 nan 0.000 0.448 732 E N 2.392 122.752 120.200 0.266 0.000 2.146 732 E HA 0.103 4.456 4.350 0.006 0.000 0.282 732 E C -0.436 176.280 176.600 0.194 0.000 0.989 732 E CA -0.720 55.808 56.400 0.214 0.000 0.799 732 E CB 1.299 31.069 29.700 0.118 0.000 1.088 732 E HN 0.254 nan 8.360 nan 0.000 0.397 733 K N 2.761 123.183 120.400 0.036 0.000 2.504 733 K HA -0.129 4.195 4.320 0.006 0.000 0.278 733 K C -0.166 176.348 176.600 -0.142 0.000 1.025 733 K CA 0.281 56.378 56.287 -0.318 0.000 1.093 733 K CB 0.179 32.521 32.500 -0.265 0.000 0.873 733 K HN 0.335 nan 8.250 nan 0.000 0.483 734 K N 3.512 123.815 120.400 -0.162 0.000 2.218 734 K HA 0.354 4.677 4.320 0.006 0.000 0.276 734 K C -0.754 175.815 176.600 -0.052 0.000 1.022 734 K CA -0.373 55.877 56.287 -0.062 0.000 0.946 734 K CB 0.805 33.287 32.500 -0.029 0.000 1.000 734 K HN 0.309 nan 8.250 nan 0.000 0.468 735 L N 1.718 122.933 121.223 -0.014 0.000 2.330 735 L HA 0.529 4.873 4.340 0.006 0.000 0.271 735 L C 0.690 177.566 176.870 0.011 0.000 1.013 735 L CA -1.232 53.612 54.840 0.007 0.000 0.816 735 L CB 2.001 44.078 42.059 0.030 0.000 1.287 735 L HN 0.949 nan 8.230 nan 0.000 0.435 736 G N 0.364 109.175 108.800 0.017 0.000 2.527 736 G HA2 0.431 4.395 3.960 0.006 0.000 0.248 736 G HA3 0.431 4.395 3.960 0.006 0.000 0.248 736 G C -1.156 173.735 174.900 -0.015 0.000 1.231 736 G CA -0.182 44.914 45.100 -0.007 0.000 0.838 736 G HN 0.738 nan 8.290 nan 0.000 0.570 737 D N -0.723 119.644 120.400 -0.055 0.000 2.661 737 D HA 0.573 5.217 4.640 0.006 0.000 0.228 737 D C -1.198 175.005 176.300 -0.162 0.000 1.210 737 D CA -0.615 53.343 54.000 -0.070 0.000 0.826 737 D CB 2.277 43.053 40.800 -0.040 0.000 1.542 737 D HN 0.491 nan 8.370 nan 0.000 0.447 738 I N -0.426 120.024 120.570 -0.200 0.000 2.753 738 I HA 0.319 4.493 4.170 0.006 0.000 0.291 738 I C -2.128 173.775 176.117 -0.357 0.000 1.425 738 I CA -0.280 60.801 61.300 -0.366 0.000 1.039 738 I CB 2.329 39.914 38.000 -0.692 0.000 1.349 738 I HN 0.538 nan 8.210 nan 0.000 0.430 739 E N 6.027 125.963 120.200 -0.441 0.000 2.272 739 E HA 0.572 4.926 4.350 0.006 0.000 0.269 739 E C -2.009 174.301 176.600 -0.484 0.000 0.877 739 E CA -0.520 55.639 56.400 -0.402 0.000 0.755 739 E CB 1.741 31.274 29.700 -0.279 0.000 1.192 739 E HN 0.431 nan 8.360 nan 0.000 0.422 740 F N 2.911 122.719 119.950 -0.238 0.000 2.546 740 F HA 0.528 5.059 4.527 0.006 0.000 0.320 740 F C -0.234 175.413 175.800 -0.254 0.000 1.076 740 F CA -0.853 57.040 58.000 -0.178 0.000 0.928 740 F CB 1.431 40.342 39.000 -0.148 0.000 1.189 740 F HN 0.320 nan 8.300 nan 0.000 0.465 741 I N 2.346 122.868 120.570 -0.080 0.000 2.355 741 I HA 0.289 4.462 4.170 0.006 0.000 0.288 741 I C -0.436 175.703 176.117 0.036 0.000 0.999 741 I CA -0.804 60.443 61.300 -0.088 0.000 1.163 741 I CB 1.531 39.432 38.000 -0.165 0.000 1.316 741 I HN 0.356 nan 8.210 nan 0.000 0.454 742 K N 6.751 127.150 120.400 -0.001 0.000 2.339 742 K HA 0.535 4.859 4.320 0.006 0.000 0.286 742 K C -0.716 175.919 176.600 0.059 0.000 1.050 742 K CA -0.209 56.103 56.287 0.041 0.000 0.956 742 K CB 0.605 33.127 32.500 0.037 0.000 0.990 742 K HN 0.480 nan 8.250 nan 0.000 0.475 743 V N 1.306 121.266 119.914 0.077 0.000 3.130 743 V HA 0.522 4.646 4.120 0.006 0.000 0.310 743 V C -0.595 175.501 176.094 0.004 0.000 1.158 743 V CA -1.310 61.020 62.300 0.050 0.000 1.029 743 V CB 1.822 33.710 31.823 0.108 0.000 1.057 743 V HN 0.825 nan 8.190 nan 0.000 0.436 744 N N 1.990 120.705 118.700 0.025 0.000 2.447 744 N HA 0.026 4.769 4.740 0.006 0.000 0.263 744 N C 0.815 176.382 175.510 0.096 0.000 1.226 744 N CA 0.678 53.811 53.050 0.139 0.000 0.906 744 N CB 1.229 39.837 38.487 0.201 0.000 1.060 744 N HN 1.000 nan 8.380 nan 0.000 0.468 745 K N 3.717 124.189 120.400 0.120 0.000 2.032 745 K HA -0.170 4.153 4.320 0.006 0.000 0.209 745 K C 0.857 177.475 176.600 0.029 0.000 1.048 745 K CA 1.343 57.669 56.287 0.065 0.000 0.927 745 K CB 0.128 32.676 32.500 0.080 0.000 0.712 745 K HN 0.541 nan 8.250 nan 0.000 0.441 746 N N 1.161 119.889 118.700 0.046 0.000 2.216 746 N HA -0.126 4.617 4.740 0.006 0.000 0.183 746 N C 0.878 176.388 175.510 -0.000 0.000 1.017 746 N CA 1.662 54.723 53.050 0.019 0.000 0.861 746 N CB -0.051 38.450 38.487 0.023 0.000 0.986 746 N HN 0.495 nan 8.380 nan 0.000 0.428 747 D N -0.910 119.496 120.400 0.009 0.000 2.500 747 D HA 0.087 4.730 4.640 0.006 0.000 0.217 747 D C -0.084 176.199 176.300 -0.027 0.000 1.159 747 D CA -0.064 53.932 54.000 -0.007 0.000 0.828 747 D CB 0.268 41.074 40.800 0.010 0.000 1.039 747 D HN -0.270 nan 8.370 nan 0.000 0.512 748 K N -0.318 120.060 120.400 -0.038 0.000 3.020 748 K HA -0.226 4.098 4.320 0.006 0.000 0.266 748 K C -0.282 176.305 176.600 -0.022 0.000 1.067 748 K CA 0.648 56.886 56.287 -0.081 0.000 0.780 748 K CB -2.128 30.246 32.500 -0.211 0.000 1.220 748 K HN 0.330 nan 8.250 nan 0.000 0.483 749 K N 1.356 121.766 120.400 0.017 0.000 2.237 749 K HA 0.202 4.526 4.320 0.006 0.000 0.270 749 K C -2.159 174.468 176.600 0.045 0.000 1.015 749 K CA -1.668 54.640 56.287 0.035 0.000 0.949 749 K CB 0.436 32.962 32.500 0.042 0.000 0.976 749 K HN -0.072 nan 8.250 nan 0.000 0.472 750 P HA 0.093 nan 4.420 nan 0.000 0.275 750 P C -0.947 176.359 177.300 0.010 0.000 1.228 750 P CA 0.003 63.124 63.100 0.035 0.000 0.786 750 P CB 0.629 32.347 31.700 0.030 0.000 0.927 751 L N 2.617 123.829 121.223 -0.017 0.000 2.333 751 L HA 0.526 4.869 4.340 0.006 0.000 0.280 751 L C 0.878 177.738 176.870 -0.017 0.000 1.004 751 L CA -0.872 53.935 54.840 -0.054 0.000 0.820 751 L CB 2.150 44.087 42.059 -0.205 0.000 1.247 751 L HN 0.355 nan 8.230 nan 0.000 0.416 752 R N 1.734 122.236 120.500 0.004 0.000 2.404 752 R HA 0.554 4.898 4.340 0.006 0.000 0.291 752 R C 0.764 177.085 176.300 0.035 0.000 1.025 752 R CA 0.688 56.803 56.100 0.025 0.000 0.991 752 R CB 1.220 31.539 30.300 0.032 0.000 1.053 752 R HN 0.845 nan 8.270 nan 0.000 0.479 753 G N 1.535 110.366 108.800 0.053 0.000 2.157 753 G HA2 -0.250 3.714 3.960 0.006 0.000 0.239 753 G HA3 -0.250 3.714 3.960 0.006 0.000 0.239 753 G C -0.079 174.861 174.900 0.068 0.000 0.982 753 G CA 0.021 45.156 45.100 0.059 0.000 0.650 753 G HN 0.886 nan 8.290 nan 0.000 0.527 754 A N -0.552 122.328 122.820 0.099 0.000 2.322 754 A HA 0.793 5.117 4.320 0.006 0.000 0.269 754 A C 0.192 177.887 177.584 0.185 0.000 1.094 754 A CA 0.172 52.285 52.037 0.127 0.000 0.807 754 A CB 1.396 20.560 19.000 0.272 0.000 1.047 754 A HN 1.183 nan 8.150 nan 0.000 0.487 755 V N 1.709 121.650 119.914 0.046 0.000 2.487 755 V HA 0.605 4.728 4.120 0.006 0.000 0.298 755 V C -1.075 174.999 176.094 -0.032 0.000 1.028 755 V CA -0.137 62.221 62.300 0.097 0.000 0.860 755 V CB 0.945 32.792 31.823 0.040 0.000 0.991 755 V HN 0.740 nan 8.190 nan 0.000 0.427 756 F N 1.286 121.301 119.950 0.108 0.000 2.603 756 F HA 0.736 5.267 4.527 0.006 0.000 0.317 756 F C 0.364 176.262 175.800 0.163 0.000 1.066 756 F CA -0.562 57.519 58.000 0.135 0.000 0.941 756 F CB 2.599 41.690 39.000 0.152 0.000 1.291 756 F HN 0.328 nan 8.300 nan 0.000 0.472 757 S N 1.904 117.812 115.700 0.346 0.000 2.557 757 S HA 0.523 4.996 4.470 0.006 0.000 0.291 757 S C -1.685 173.052 174.600 0.229 0.000 1.116 757 S CA -0.470 57.876 58.200 0.244 0.000 0.992 757 S CB 1.788 65.058 63.200 0.116 0.000 1.028 757 S HN 0.460 nan 8.310 nan 0.000 0.484 758 L N 4.506 125.811 121.223 0.136 0.000 2.260 758 L HA 0.430 4.774 4.340 0.006 0.000 0.289 758 L C -0.311 176.631 176.870 0.121 0.000 1.057 758 L CA 0.256 55.107 54.840 0.018 0.000 0.811 758 L CB 0.489 42.337 42.059 -0.352 0.000 1.184 758 L HN 0.558 nan 8.230 nan 0.000 0.429 759 Q N 4.404 124.302 119.800 0.163 0.000 2.214 759 Q HA 0.394 4.737 4.340 0.006 0.000 0.251 759 Q C -0.807 175.262 176.000 0.115 0.000 0.936 759 Q CA -0.492 55.396 55.803 0.143 0.000 0.894 759 Q CB 2.260 31.104 28.738 0.177 0.000 1.252 759 Q HN 0.511 nan 8.270 nan 0.000 0.448 760 K N 1.129 121.528 120.400 -0.002 0.000 2.316 760 K HA 0.187 4.511 4.320 0.006 0.000 0.251 760 K C -0.718 175.725 176.600 -0.261 0.000 0.934 760 K CA -0.497 55.614 56.287 -0.292 0.000 0.802 760 K CB 1.860 34.105 32.500 -0.424 0.000 1.171 760 K HN 0.519 nan 8.250 nan 0.000 0.426 761 Q N 3.094 122.567 119.800 -0.545 0.000 2.330 761 Q HA -0.077 4.266 4.340 0.006 0.000 0.279 761 Q C -0.649 175.112 176.000 -0.399 0.000 1.024 761 Q CA 0.045 55.314 55.803 -0.891 0.000 0.900 761 Q CB 0.480 28.651 28.738 -0.946 0.000 1.221 761 Q HN 0.598 nan 8.270 nan 0.000 0.396 762 H N 6.240 125.094 119.070 -0.360 0.000 2.803 762 H HA 0.037 4.597 4.556 0.006 0.000 0.330 762 H C -1.651 173.563 175.328 -0.189 0.000 1.057 762 H CA -1.488 54.444 56.048 -0.193 0.000 1.458 762 H CB 1.251 30.968 29.762 -0.076 0.000 1.470 762 H HN 0.635 nan 8.280 nan 0.000 0.560 763 P HA -0.201 nan 4.420 nan 0.000 0.216 763 P C 0.616 177.616 177.300 -0.500 0.000 1.153 763 P CA 1.237 64.041 63.100 -0.494 0.000 0.858 763 P CB 0.521 31.963 31.700 -0.430 0.000 0.789 764 D N -0.822 119.127 120.400 -0.752 0.000 2.121 764 D HA -0.068 4.576 4.640 0.006 0.000 0.209 764 D C 0.649 176.705 176.300 -0.407 0.000 0.981 764 D CA 0.962 54.632 54.000 -0.551 0.000 0.875 764 D CB -0.939 39.489 40.800 -0.620 0.000 1.016 764 D HN 0.185 nan 8.370 nan 0.000 0.452 765 Y N 1.059 121.380 120.300 0.034 0.000 2.335 765 Y HA 0.153 4.707 4.550 0.006 0.000 0.331 765 Y C -1.354 174.516 175.900 -0.050 0.000 1.094 765 Y CA -1.902 56.215 58.100 0.027 0.000 1.253 765 Y CB 0.540 39.046 38.460 0.077 0.000 1.203 765 Y HN -0.008 nan 8.280 nan 0.000 0.508 766 P HA -0.047 nan 4.420 nan 0.000 0.214 766 P C -0.545 176.760 177.300 0.009 0.000 1.162 766 P CA 1.035 64.130 63.100 -0.007 0.000 0.871 766 P CB 0.261 31.970 31.700 0.015 0.000 0.783 767 D N 0.730 121.185 120.400 0.091 0.000 2.498 767 D HA 0.378 5.021 4.640 0.006 0.000 0.229 767 D C 0.082 176.458 176.300 0.127 0.000 1.188 767 D CA 0.295 54.380 54.000 0.141 0.000 1.028 767 D CB -0.824 40.034 40.800 0.097 0.000 1.087 767 D HN 0.081 nan 8.370 nan 0.000 0.510 768 I N 1.354 122.014 120.570 0.149 0.000 2.764 768 I HA 0.071 4.245 4.170 0.006 0.000 0.270 768 I C -2.078 174.025 176.117 -0.024 0.000 1.551 768 I CA -0.439 60.919 61.300 0.097 0.000 1.262 768 I CB 0.088 38.118 38.000 0.049 0.000 1.639 768 I HN -0.008 nan 8.210 nan 0.000 0.402 769 Y N 5.366 125.672 120.300 0.010 0.000 2.420 769 Y HA 0.938 5.491 4.550 0.006 0.000 0.334 769 Y C 0.817 176.687 175.900 -0.050 0.000 1.094 769 Y CA -0.004 58.088 58.100 -0.013 0.000 1.126 769 Y CB 2.149 40.621 38.460 0.021 0.000 1.217 769 Y HN 0.596 nan 8.280 nan 0.000 0.462 770 G N -0.091 108.735 108.800 0.045 0.000 2.788 770 G HA2 0.633 4.596 3.960 0.006 0.000 0.293 770 G HA3 0.633 4.596 3.960 0.006 0.000 0.293 770 G C -1.281 173.613 174.900 -0.010 0.000 1.392 770 G CA -0.662 44.428 45.100 -0.016 0.000 0.810 770 G HN 0.791 nan 8.290 nan 0.000 0.508 771 A N -0.857 121.951 122.820 -0.021 0.000 2.475 771 A HA 0.439 4.763 4.320 0.006 0.000 0.239 771 A C 1.335 178.932 177.584 0.021 0.000 1.087 771 A CA 0.109 52.150 52.037 0.006 0.000 0.779 771 A CB -0.004 18.996 19.000 -0.000 0.000 1.036 771 A HN 0.565 nan 8.150 nan 0.000 0.506 772 I N 0.280 120.881 120.570 0.052 0.000 2.193 772 I HA -0.002 4.171 4.170 0.006 0.000 0.240 772 I C 0.824 176.962 176.117 0.036 0.000 1.084 772 I CA 1.878 63.216 61.300 0.063 0.000 1.365 772 I CB -0.651 37.432 38.000 0.139 0.000 1.064 772 I HN 0.850 nan 8.210 nan 0.000 0.410 773 D N -1.513 118.901 120.400 0.024 0.000 2.714 773 D HA 0.176 4.820 4.640 0.006 0.000 0.278 773 D C 0.209 176.511 176.300 0.003 0.000 1.102 773 D CA -0.687 53.320 54.000 0.011 0.000 1.108 773 D CB 0.142 40.944 40.800 0.003 0.000 1.444 773 D HN 0.118 nan 8.370 nan 0.000 0.568 774 Q N -0.376 119.424 119.800 -0.001 0.000 2.360 774 Q HA 0.150 4.493 4.340 0.006 0.000 0.202 774 Q C 0.007 176.003 176.000 -0.005 0.000 0.915 774 Q CA 0.067 55.867 55.803 -0.004 0.000 0.943 774 Q CB -0.324 28.410 28.738 -0.005 0.000 1.064 774 Q HN 0.318 nan 8.270 nan 0.000 0.511 775 N N 2.228 120.923 118.700 -0.008 0.000 2.063 775 N HA 0.005 4.749 4.740 0.006 0.000 0.192 775 N C 1.089 176.594 175.510 -0.008 0.000 1.071 775 N CA 2.109 55.152 53.050 -0.011 0.000 0.858 775 N CB -0.253 38.222 38.487 -0.020 0.000 1.050 775 N HN 0.439 nan 8.380 nan 0.000 0.434 776 G N -1.766 107.026 108.800 -0.013 0.000 5.310 776 G HA2 -0.000 3.963 3.960 0.006 0.000 0.203 776 G HA3 -0.000 3.963 3.960 0.006 0.000 0.203 776 G C -0.552 174.348 174.900 0.001 0.000 0.800 776 G CA -0.399 44.702 45.100 0.003 0.000 0.754 776 G HN 0.278 nan 8.290 nan 0.000 0.308 777 T N 1.126 115.656 114.554 -0.039 0.000 2.769 777 T HA 0.338 4.692 4.350 0.006 0.000 0.293 777 T C 0.648 175.337 174.700 -0.019 0.000 0.931 777 T CA 0.458 62.472 62.100 -0.145 0.000 1.139 777 T CB -0.268 68.450 68.868 -0.250 0.000 0.881 777 T HN 0.557 nan 8.240 nan 0.000 0.532 778 Y N 2.176 122.566 120.300 0.149 0.000 3.589 778 Y HA -0.166 4.388 4.550 0.006 0.000 0.218 778 Y C 0.607 176.601 175.900 0.157 0.000 1.234 778 Y CA 0.003 58.227 58.100 0.206 0.000 1.576 778 Y CB -2.324 36.246 38.460 0.185 0.000 1.487 778 Y HN 0.600 nan 8.280 nan 0.000 0.616 779 Q N 0.337 120.282 119.800 0.241 0.000 2.322 779 Q HA 0.407 4.751 4.340 0.006 0.000 0.265 779 Q C 0.435 176.530 176.000 0.160 0.000 0.985 779 Q CA -0.843 55.057 55.803 0.162 0.000 0.849 779 Q CB 1.534 30.325 28.738 0.089 0.000 1.274 779 Q HN 0.388 nan 8.270 nan 0.000 0.449 780 N N -0.404 118.389 118.700 0.155 0.000 2.738 780 N HA -0.170 4.573 4.740 0.006 0.000 0.249 780 N C -0.450 175.166 175.510 0.176 0.000 1.047 780 N CA 0.845 53.978 53.050 0.139 0.000 0.707 780 N CB -1.459 37.081 38.487 0.089 0.000 0.937 780 N HN 0.449 nan 8.380 nan 0.000 0.545 781 V N -1.881 118.184 119.914 0.251 0.000 2.461 781 V HA 0.478 4.602 4.120 0.006 0.000 0.275 781 V C 0.846 177.077 176.094 0.228 0.000 1.047 781 V CA -0.640 61.809 62.300 0.248 0.000 0.955 781 V CB 1.723 33.735 31.823 0.316 0.000 0.988 781 V HN 0.341 nan 8.190 nan 0.000 0.471 782 R N 3.883 124.480 120.500 0.162 0.000 2.294 782 R HA 0.513 4.857 4.340 0.006 0.000 0.319 782 R C 0.358 176.725 176.300 0.112 0.000 0.984 782 R CA -0.025 56.160 56.100 0.141 0.000 0.861 782 R CB 1.328 31.687 30.300 0.099 0.000 1.104 782 R HN 1.052 nan 8.270 nan 0.000 0.451 783 T N 1.109 115.733 114.554 0.118 0.000 2.926 783 T HA 0.349 4.703 4.350 0.006 0.000 0.307 783 T C 0.749 175.474 174.700 0.043 0.000 1.059 783 T CA -0.439 61.697 62.100 0.060 0.000 1.122 783 T CB 1.454 70.356 68.868 0.057 0.000 0.972 783 T HN 0.657 nan 8.240 nan 0.000 0.545 784 G N 0.724 109.536 108.800 0.020 0.000 2.583 784 G HA2 0.343 4.307 3.960 0.006 0.000 0.280 784 G HA3 0.343 4.307 3.960 0.006 0.000 0.280 784 G C 0.486 175.394 174.900 0.013 0.000 1.376 784 G CA -0.742 44.368 45.100 0.018 0.000 1.043 784 G HN 0.813 nan 8.290 nan 0.000 0.538 785 E N -0.107 120.101 120.200 0.012 0.000 2.204 785 E HA -0.133 4.221 4.350 0.006 0.000 0.195 785 E C 1.741 178.345 176.600 0.007 0.000 0.990 785 E CA 1.274 57.681 56.400 0.013 0.000 0.821 785 E CB 0.116 29.824 29.700 0.013 0.000 0.750 785 E HN 0.591 nan 8.360 nan 0.000 0.477 786 D N -0.878 119.521 120.400 -0.002 0.000 2.363 786 D HA -0.025 4.619 4.640 0.006 0.000 0.220 786 D C 1.379 177.671 176.300 -0.015 0.000 0.994 786 D CA 0.859 54.853 54.000 -0.010 0.000 0.890 786 D CB -0.095 40.691 40.800 -0.022 0.000 0.906 786 D HN 0.191 nan 8.370 nan 0.000 0.530 787 G N 0.060 108.851 108.800 -0.014 0.000 2.184 787 G HA2 -0.344 3.619 3.960 0.006 0.000 0.264 787 G HA3 -0.344 3.619 3.960 0.006 0.000 0.264 787 G C 0.139 175.005 174.900 -0.057 0.000 0.975 787 G CA 0.293 45.382 45.100 -0.018 0.000 0.642 787 G HN 0.481 nan 8.290 nan 0.000 0.536 788 K N 0.138 120.492 120.400 -0.076 0.000 2.322 788 K HA 0.528 4.852 4.320 0.006 0.000 0.283 788 K C 0.177 176.666 176.600 -0.185 0.000 1.042 788 K CA -0.164 56.045 56.287 -0.130 0.000 0.958 788 K CB 0.875 33.299 32.500 -0.127 0.000 0.984 788 K HN 0.209 nan 8.250 nan 0.000 0.473 789 L N 3.398 124.454 121.223 -0.278 0.000 2.301 789 L HA 0.226 4.569 4.340 0.006 0.000 0.278 789 L C -0.396 176.002 176.870 -0.788 0.000 1.022 789 L CA -0.449 54.098 54.840 -0.490 0.000 0.854 789 L CB 1.449 43.201 42.059 -0.512 0.000 1.226 789 L HN 0.570 nan 8.230 nan 0.000 0.429 790 T N 3.186 117.292 114.554 -0.747 0.000 2.770 790 T HA 0.527 4.881 4.350 0.006 0.000 0.297 790 T C -0.517 173.739 174.700 -0.740 0.000 0.997 790 T CA -0.248 61.489 62.100 -0.606 0.000 0.949 790 T CB 0.194 68.901 68.868 -0.269 0.000 0.941 790 T HN 0.027 nan 8.240 nan 0.000 0.457 791 F N 3.883 123.663 119.950 -0.283 0.000 2.436 791 F HA 0.638 5.168 4.527 0.006 0.000 0.340 791 F C 0.610 176.324 175.800 -0.144 0.000 1.113 791 F CA -1.296 56.440 58.000 -0.440 0.000 1.022 791 F CB 1.303 40.005 39.000 -0.496 0.000 1.128 791 F HN 0.395 nan 8.300 nan 0.000 0.466 792 K N 0.711 121.253 120.400 0.236 0.000 2.499 792 K HA 0.464 4.788 4.320 0.006 0.000 0.277 792 K C -0.647 176.090 176.600 0.228 0.000 1.025 792 K CA -0.918 55.470 56.287 0.168 0.000 0.900 792 K CB 1.456 34.023 32.500 0.111 0.000 1.494 792 K HN 0.483 nan 8.250 nan 0.000 0.442 793 N N 0.272 119.053 118.700 0.136 0.000 2.735 793 N HA -0.165 4.579 4.740 0.006 0.000 0.248 793 N C -0.921 174.676 175.510 0.146 0.000 1.083 793 N CA 0.776 53.899 53.050 0.122 0.000 0.703 793 N CB -1.485 37.070 38.487 0.114 0.000 1.005 793 N HN 0.532 nan 8.380 nan 0.000 0.550 794 L N 0.682 121.983 121.223 0.129 0.000 2.276 794 L HA 0.246 4.589 4.340 0.006 0.000 0.286 794 L C 0.906 177.868 176.870 0.152 0.000 1.061 794 L CA -0.384 54.542 54.840 0.143 0.000 0.807 794 L CB 1.125 43.178 42.059 -0.009 0.000 1.177 794 L HN 0.018 nan 8.230 nan 0.000 0.429 795 S N 1.307 117.137 115.700 0.217 0.000 2.589 795 S HA 0.076 4.550 4.470 0.006 0.000 0.265 795 S C -0.322 174.412 174.600 0.223 0.000 1.342 795 S CA -0.845 57.457 58.200 0.170 0.000 1.005 795 S CB 0.590 63.869 63.200 0.132 0.000 0.909 795 S HN 0.476 nan 8.310 nan 0.000 0.555 796 D N 0.700 121.175 120.400 0.126 0.000 2.423 796 D HA 0.537 5.181 4.640 0.006 0.000 0.238 796 D C 0.758 177.128 176.300 0.116 0.000 1.142 796 D CA 1.408 55.482 54.000 0.123 0.000 0.884 796 D CB 0.351 41.181 40.800 0.050 0.000 1.199 796 D HN 0.808 nan 8.370 nan 0.000 0.438 797 G N 0.690 109.569 108.800 0.132 0.000 2.325 797 G HA2 0.013 3.976 3.960 0.006 0.000 0.285 797 G HA3 0.013 3.976 3.960 0.006 0.000 0.285 797 G C -1.309 173.613 174.900 0.037 0.000 1.303 797 G CA -1.007 44.098 45.100 0.009 0.000 0.970 797 G HN 0.396 nan 8.290 nan 0.000 0.490 798 K N -0.146 120.181 120.400 -0.121 0.000 2.156 798 K HA 0.623 4.947 4.320 0.006 0.000 0.271 798 K C -1.420 175.055 176.600 -0.208 0.000 0.995 798 K CA -0.321 55.941 56.287 -0.042 0.000 0.890 798 K CB 1.628 34.163 32.500 0.060 0.000 1.073 798 K HN 0.432 nan 8.250 nan 0.000 0.454 799 Y N 0.552 120.719 120.300 -0.222 0.000 2.512 799 Y HA 0.432 4.986 4.550 0.006 0.000 0.348 799 Y C -0.194 175.412 175.900 -0.489 0.000 0.990 799 Y CA -0.970 56.880 58.100 -0.418 0.000 1.033 799 Y CB 2.214 40.063 38.460 -1.019 0.000 1.259 799 Y HN 0.326 nan 8.280 nan 0.000 0.461 800 R N 2.267 122.676 120.500 -0.151 0.000 2.502 800 R HA 0.460 4.804 4.340 0.006 0.000 0.298 800 R C -1.863 174.438 176.300 0.000 0.000 1.018 800 R CA -0.941 55.035 56.100 -0.207 0.000 0.899 800 R CB 2.056 32.172 30.300 -0.305 0.000 1.181 800 R HN 0.548 nan 8.270 nan 0.000 0.444 801 L N 3.754 124.931 121.223 -0.076 0.000 2.276 801 L HA 0.512 4.856 4.340 0.006 0.000 0.286 801 L C -1.403 175.489 176.870 0.036 0.000 1.061 801 L CA 0.144 55.009 54.840 0.043 0.000 0.807 801 L CB 0.403 42.420 42.059 -0.071 0.000 1.177 801 L HN 0.382 nan 8.230 nan 0.000 0.429 802 F N 2.874 122.864 119.950 0.066 0.000 2.469 802 F HA 0.396 4.927 4.527 0.006 0.000 0.332 802 F C 0.285 176.083 175.800 -0.003 0.000 1.103 802 F CA -0.640 57.371 58.000 0.019 0.000 0.979 802 F CB 1.544 40.531 39.000 -0.022 0.000 1.137 802 F HN 0.500 nan 8.300 nan 0.000 0.463 803 E N 2.036 122.201 120.200 -0.059 0.000 2.129 803 E HA 0.164 4.517 4.350 0.006 0.000 0.283 803 E C 0.024 176.453 176.600 -0.285 0.000 1.080 803 E CA 0.055 56.104 56.400 -0.586 0.000 0.867 803 E CB 0.397 29.746 29.700 -0.585 0.000 1.056 803 E HN 0.697 nan 8.360 nan 0.000 0.404 804 N N 2.053 120.584 118.700 -0.281 0.000 2.251 804 N HA -0.051 4.692 4.740 0.006 0.000 0.181 804 N C -0.492 174.946 175.510 -0.120 0.000 1.019 804 N CA 0.833 53.817 53.050 -0.110 0.000 0.862 804 N CB 0.350 38.807 38.487 -0.049 0.000 0.992 804 N HN 0.431 nan 8.380 nan 0.000 0.429 805 S N 0.120 115.713 115.700 -0.178 0.000 2.543 805 S HA 0.198 4.671 4.470 0.006 0.000 0.271 805 S C -0.951 173.573 174.600 -0.127 0.000 1.148 805 S CA -1.124 57.010 58.200 -0.110 0.000 0.914 805 S CB 1.850 65.022 63.200 -0.046 0.000 1.096 805 S HN 0.176 nan 8.310 nan 0.000 0.471 806 E N 1.910 122.070 120.200 -0.067 0.000 2.409 806 E HA 0.389 4.743 4.350 0.006 0.000 0.257 806 E C -2.647 173.968 176.600 0.025 0.000 1.150 806 E CA -1.192 55.198 56.400 -0.017 0.000 0.942 806 E CB -0.589 29.145 29.700 0.058 0.000 0.979 806 E HN 0.405 nan 8.360 nan 0.000 0.447 807 P HA 0.215 nan 4.420 nan 0.000 0.278 807 P C -0.843 176.575 177.300 0.197 0.000 1.258 807 P CA -0.421 62.722 63.100 0.071 0.000 0.811 807 P CB 0.541 32.230 31.700 -0.018 0.000 1.063 808 A N 0.918 123.836 122.820 0.163 0.000 2.565 808 A HA 0.392 4.715 4.320 0.006 0.000 0.237 808 A C 1.448 179.171 177.584 0.231 0.000 1.053 808 A CA 0.927 53.053 52.037 0.149 0.000 0.755 808 A CB -1.654 17.405 19.000 0.098 0.000 0.980 808 A HN 0.914 nan 8.150 nan 0.000 0.506 809 G N 0.190 109.056 108.800 0.111 0.000 2.176 809 G HA2 -0.233 3.731 3.960 0.006 0.000 0.253 809 G HA3 -0.233 3.731 3.960 0.006 0.000 0.253 809 G C -0.115 174.577 174.900 -0.347 0.000 0.979 809 G CA 0.717 45.779 45.100 -0.064 0.000 0.641 809 G HN 0.894 nan 8.290 nan 0.000 0.530 810 Y N 0.397 120.709 120.300 0.019 0.000 2.509 810 Y HA 0.585 5.139 4.550 0.006 0.000 0.341 810 Y C 0.910 176.818 175.900 0.014 0.000 1.038 810 Y CA -1.106 57.006 58.100 0.021 0.000 1.089 810 Y CB 1.112 39.591 38.460 0.030 0.000 1.241 810 Y HN -0.028 nan 8.280 nan 0.000 0.468 811 K N 3.635 124.101 120.400 0.110 0.000 2.491 811 K HA 0.040 4.364 4.320 0.006 0.000 0.279 811 K C -2.532 174.114 176.600 0.078 0.000 1.026 811 K CA -1.256 55.072 56.287 0.070 0.000 1.070 811 K CB -0.148 32.386 32.500 0.057 0.000 0.887 811 K HN 0.269 nan 8.250 nan 0.000 0.481 812 P HA -0.045 nan 4.420 nan 0.000 0.265 812 P C -0.904 176.410 177.300 0.024 0.000 1.193 812 P CA 0.010 63.131 63.100 0.034 0.000 0.765 812 P CB 0.538 32.251 31.700 0.021 0.000 0.823 813 V N 4.619 124.537 119.914 0.007 0.000 2.462 813 V HA 0.209 4.333 4.120 0.006 0.000 0.288 813 V C -0.397 175.677 176.094 -0.033 0.000 1.020 813 V CA -0.454 61.837 62.300 -0.014 0.000 0.857 813 V CB 1.417 33.220 31.823 -0.035 0.000 1.013 813 V HN 0.366 nan 8.190 nan 0.000 0.431 814 Q N 4.133 123.923 119.800 -0.015 0.000 2.394 814 Q HA 0.424 4.767 4.340 0.006 0.000 0.259 814 Q C -0.023 175.981 176.000 0.007 0.000 1.021 814 Q CA -0.355 55.441 55.803 -0.012 0.000 0.805 814 Q CB 1.252 29.988 28.738 -0.003 0.000 1.226 814 Q HN 0.779 nan 8.270 nan 0.000 0.476 815 N N 2.282 120.989 118.700 0.012 0.000 2.642 815 N HA -0.166 4.578 4.740 0.006 0.000 0.269 815 N C -0.836 174.782 175.510 0.180 0.000 1.073 815 N CA 0.916 54.018 53.050 0.087 0.000 0.748 815 N CB -0.276 38.239 38.487 0.046 0.000 0.894 815 N HN 0.400 nan 8.380 nan 0.000 0.548 816 K N 0.688 121.165 120.400 0.128 0.000 2.270 816 K HA 0.478 4.802 4.320 0.006 0.000 0.255 816 K C -2.280 174.212 176.600 -0.181 0.000 0.936 816 K CA -1.790 54.518 56.287 0.034 0.000 0.809 816 K CB 1.850 34.334 32.500 -0.026 0.000 1.131 816 K HN 0.017 nan 8.250 nan 0.000 0.427 817 P HA 0.107 nan 4.420 nan 0.000 0.267 817 P C 0.154 177.183 177.300 -0.452 0.000 1.205 817 P CA -0.136 62.361 63.100 -1.005 0.000 0.765 817 P CB 0.735 31.938 31.700 -0.828 0.000 0.828 818 I N 2.202 122.551 120.570 -0.369 0.000 3.345 818 I HA 0.132 4.306 4.170 0.006 0.000 0.258 818 I C 0.817 176.845 176.117 -0.148 0.000 1.134 818 I CA 0.556 61.767 61.300 -0.149 0.000 1.457 818 I CB -0.142 37.856 38.000 -0.003 0.000 1.425 818 I HN 0.065 nan 8.210 nan 0.000 0.461 819 V N 1.226 121.021 119.914 -0.199 0.000 2.789 819 V HA 0.795 4.918 4.120 0.006 0.000 0.311 819 V C -0.363 175.635 176.094 -0.161 0.000 1.073 819 V CA -0.881 61.309 62.300 -0.182 0.000 0.921 819 V CB 1.987 33.702 31.823 -0.181 0.000 1.009 819 V HN 0.308 nan 8.190 nan 0.000 0.426 820 A N 4.160 126.897 122.820 -0.139 0.000 2.340 820 A HA 1.067 5.391 4.320 0.006 0.000 0.331 820 A C -0.929 176.672 177.584 0.029 0.000 1.140 820 A CA -0.442 51.510 52.037 -0.142 0.000 0.801 820 A CB 1.175 20.080 19.000 -0.158 0.000 1.234 820 A HN 1.350 nan 8.150 nan 0.000 0.469 821 F N -1.300 118.642 119.950 -0.013 0.000 2.817 821 F HA 0.694 5.224 4.527 0.006 0.000 0.317 821 F C -1.007 174.850 175.800 0.095 0.000 1.168 821 F CA -0.878 57.116 58.000 -0.009 0.000 0.911 821 F CB 1.144 40.107 39.000 -0.062 0.000 1.337 821 F HN 0.514 nan 8.300 nan 0.000 0.464 822 Q N 1.350 121.346 119.800 0.326 0.000 2.394 822 Q HA 0.591 4.935 4.340 0.006 0.000 0.273 822 Q C -1.508 174.685 176.000 0.322 0.000 1.089 822 Q CA -1.156 54.806 55.803 0.265 0.000 0.812 822 Q CB 3.086 31.910 28.738 0.145 0.000 1.353 822 Q HN 0.536 nan 8.270 nan 0.000 0.438 823 I N 2.444 123.195 120.570 0.302 0.000 2.339 823 I HA 0.385 4.559 4.170 0.006 0.000 0.290 823 I C -0.498 175.698 176.117 0.131 0.000 0.994 823 I CA -0.543 60.875 61.300 0.197 0.000 1.191 823 I CB 1.294 39.408 38.000 0.192 0.000 1.343 823 I HN 0.277 nan 8.210 nan 0.000 0.458 824 V N 7.840 127.801 119.914 0.079 0.000 2.577 824 V HA 0.423 4.546 4.120 0.006 0.000 0.303 824 V C -0.096 176.014 176.094 0.025 0.000 1.042 824 V CA -0.456 61.873 62.300 0.049 0.000 0.872 824 V CB 1.576 33.424 31.823 0.043 0.000 0.998 824 V HN 0.862 nan 8.190 nan 0.000 0.423 825 N N 4.672 123.376 118.700 0.008 0.000 2.727 825 N HA -0.200 4.543 4.740 0.006 0.000 0.249 825 N C 1.083 176.579 175.510 -0.023 0.000 1.048 825 N CA 1.483 54.523 53.050 -0.017 0.000 0.714 825 N CB -1.140 37.346 38.487 -0.001 0.000 0.959 825 N HN 1.679 nan 8.380 nan 0.000 0.544 826 G N -0.914 107.878 108.800 -0.014 0.000 2.187 826 G HA2 -0.342 3.621 3.960 0.006 0.000 0.261 826 G HA3 -0.342 3.621 3.960 0.006 0.000 0.261 826 G C -0.122 174.777 174.900 -0.002 0.000 1.000 826 G CA 1.048 46.143 45.100 -0.008 0.000 0.718 826 G HN 0.645 nan 8.290 nan 0.000 0.519 827 E N -0.772 119.432 120.200 0.007 0.000 2.195 827 E HA 0.499 4.853 4.350 0.006 0.000 0.271 827 E C 0.214 176.819 176.600 0.007 0.000 0.923 827 E CA -1.084 55.316 56.400 -0.001 0.000 0.790 827 E CB 2.305 32.005 29.700 0.000 0.000 1.155 827 E HN 0.064 nan 8.360 nan 0.000 0.402 828 V N 4.034 123.929 119.914 -0.032 0.000 2.485 828 V HA 0.088 4.212 4.120 0.006 0.000 0.287 828 V C 0.310 176.395 176.094 -0.015 0.000 1.022 828 V CA 0.237 62.505 62.300 -0.054 0.000 1.067 828 V CB -0.221 31.482 31.823 -0.199 0.000 0.967 828 V HN 0.514 nan 8.190 nan 0.000 0.479 829 R N 2.623 123.151 120.500 0.047 0.000 2.807 829 R HA 0.372 4.715 4.340 0.006 0.000 0.276 829 R C -0.394 175.940 176.300 0.058 0.000 0.979 829 R CA -0.907 55.216 56.100 0.038 0.000 0.928 829 R CB 1.298 31.627 30.300 0.048 0.000 1.191 829 R HN 0.809 nan 8.270 nan 0.000 0.471 830 D N 0.260 120.672 120.400 0.019 0.000 2.697 830 D HA -0.131 4.513 4.640 0.006 0.000 0.238 830 D C -0.406 175.902 176.300 0.014 0.000 1.152 830 D CA 0.643 54.653 54.000 0.016 0.000 0.666 830 D CB -1.256 39.563 40.800 0.031 0.000 1.037 830 D HN 0.131 nan 8.370 nan 0.000 0.423 831 V N 1.076 120.964 119.914 -0.043 0.000 2.415 831 V HA 0.339 4.463 4.120 0.006 0.000 0.267 831 V C 1.170 177.152 176.094 -0.187 0.000 1.042 831 V CA 0.481 62.713 62.300 -0.113 0.000 1.000 831 V CB 1.111 32.774 31.823 -0.266 0.000 1.015 831 V HN 0.451 nan 8.190 nan 0.000 0.478 832 T N 1.162 115.601 114.554 -0.192 0.000 2.906 832 T HA 0.528 4.881 4.350 0.006 0.000 0.295 832 T C -0.272 174.305 174.700 -0.205 0.000 1.061 832 T CA -0.681 61.326 62.100 -0.155 0.000 1.000 832 T CB 1.831 70.664 68.868 -0.058 0.000 1.103 832 T HN 0.507 nan 8.240 nan 0.000 0.486 833 S N 1.005 116.656 115.700 -0.082 0.000 2.528 833 S HA 0.410 4.884 4.470 0.006 0.000 0.277 833 S C 0.779 175.348 174.600 -0.052 0.000 1.297 833 S CA -0.892 57.295 58.200 -0.021 0.000 1.052 833 S CB -0.582 62.697 63.200 0.131 0.000 0.917 833 S HN 0.772 nan 8.310 nan 0.000 0.492 834 I N 2.595 123.109 120.570 -0.094 0.000 3.833 834 I HA 0.425 4.599 4.170 0.006 0.000 0.328 834 I C -0.518 175.530 176.117 -0.114 0.000 1.554 834 I CA -0.710 60.519 61.300 -0.119 0.000 1.116 834 I CB 0.512 38.396 38.000 -0.194 0.000 1.182 834 I HN 0.208 nan 8.210 nan 0.000 0.459 835 V N 3.813 123.690 119.914 -0.062 0.000 2.540 835 V HA 0.106 4.230 4.120 0.006 0.000 0.297 835 V C -1.645 174.427 176.094 -0.037 0.000 1.024 835 V CA -0.599 61.673 62.300 -0.046 0.000 1.105 835 V CB -0.455 31.373 31.823 0.009 0.000 0.938 835 V HN 0.273 nan 8.190 nan 0.000 0.482 836 P HA 0.103 nan 4.420 nan 0.000 0.269 836 P C -0.287 177.009 177.300 -0.007 0.000 1.215 836 P CA -0.413 62.672 63.100 -0.026 0.000 0.780 836 P CB 0.319 32.003 31.700 -0.026 0.000 0.898 837 Q N 1.973 121.771 119.800 -0.002 0.000 2.304 837 Q HA -0.085 4.258 4.340 0.006 0.000 0.315 837 Q C 0.322 176.326 176.000 0.007 0.000 1.075 837 Q CA 1.436 57.242 55.803 0.005 0.000 0.988 837 Q CB -0.676 28.064 28.738 0.005 0.000 1.146 837 Q HN 0.421 nan 8.270 nan 0.000 0.383 838 D N 1.084 121.492 120.400 0.012 0.000 2.946 838 D HA -0.204 4.439 4.640 0.006 0.000 0.202 838 D C -0.322 175.987 176.300 0.015 0.000 1.068 838 D CA 0.820 54.828 54.000 0.013 0.000 1.011 838 D CB -0.805 40.001 40.800 0.010 0.000 1.105 838 D HN 0.430 nan 8.370 nan 0.000 0.425 839 I N 1.911 122.489 120.570 0.014 0.000 2.588 839 I HA 0.080 4.254 4.170 0.006 0.000 0.283 839 I C -1.184 174.950 176.117 0.028 0.000 1.119 839 I CA -1.418 59.891 61.300 0.016 0.000 1.419 839 I CB 0.018 38.022 38.000 0.006 0.000 1.394 839 I HN -0.180 nan 8.210 nan 0.000 0.562 840 P HA 0.252 nan 4.420 nan 0.000 0.228 840 P C -0.500 176.841 177.300 0.069 0.000 1.764 840 P CA -0.042 63.089 63.100 0.052 0.000 0.929 840 P CB 0.195 31.928 31.700 0.056 0.000 1.675 841 A N -0.294 122.564 122.820 0.062 0.000 2.356 841 A HA 0.853 5.177 4.320 0.006 0.000 0.323 841 A C 0.036 177.676 177.584 0.094 0.000 1.119 841 A CA -0.577 51.510 52.037 0.084 0.000 0.790 841 A CB 1.676 20.721 19.000 0.074 0.000 1.273 841 A HN 0.274 nan 8.150 nan 0.000 0.452 842 G N -1.118 107.756 108.800 0.123 0.000 2.695 842 G HA2 0.537 4.500 3.960 0.006 0.000 0.290 842 G HA3 0.537 4.500 3.960 0.006 0.000 0.290 842 G C -1.901 173.127 174.900 0.213 0.000 1.410 842 G CA -0.432 44.754 45.100 0.142 0.000 0.844 842 G HN 1.052 nan 8.290 nan 0.000 0.478 843 Y N 0.300 120.673 120.300 0.120 0.000 2.409 843 Y HA 0.723 5.277 4.550 0.006 0.000 0.339 843 Y C -0.233 175.789 175.900 0.203 0.000 1.033 843 Y CA -0.727 57.480 58.100 0.178 0.000 1.094 843 Y CB 1.733 40.292 38.460 0.165 0.000 1.210 843 Y HN 0.579 nan 8.280 nan 0.000 0.456 844 E N 5.054 124.892 120.200 -0.604 0.000 2.383 844 E HA 0.309 4.662 4.350 0.006 0.000 0.275 844 E C -2.210 174.109 176.600 -0.468 0.000 0.918 844 E CA -0.969 55.168 56.400 -0.439 0.000 0.764 844 E CB 2.683 32.312 29.700 -0.119 0.000 1.252 844 E HN 0.496 nan 8.360 nan 0.000 0.449 845 F N 1.645 121.379 119.950 -0.360 0.000 2.434 845 F HA 0.441 4.972 4.527 0.006 0.000 0.355 845 F C -1.181 174.595 175.800 -0.039 0.000 1.115 845 F CA -0.290 57.623 58.000 -0.146 0.000 1.010 845 F CB 1.356 40.360 39.000 0.007 0.000 1.234 845 F HN 0.239 nan 8.300 nan 0.000 0.439 846 T N 4.986 119.348 114.554 -0.319 0.000 2.928 846 T HA 0.238 4.592 4.350 0.006 0.000 0.296 846 T C -0.681 173.847 174.700 -0.287 0.000 1.000 846 T CA -0.838 61.103 62.100 -0.265 0.000 0.989 846 T CB 1.168 69.938 68.868 -0.163 0.000 1.005 846 T HN 0.462 nan 8.240 nan 0.000 0.442 847 N N 2.795 121.299 118.700 -0.327 0.000 2.714 847 N HA -0.170 4.573 4.740 0.006 0.000 0.253 847 N C 0.164 175.486 175.510 -0.314 0.000 1.024 847 N CA 1.333 54.237 53.050 -0.243 0.000 0.726 847 N CB -0.945 37.465 38.487 -0.129 0.000 0.908 847 N HN 0.937 nan 8.380 nan 0.000 0.542 848 D N -2.310 117.754 120.400 -0.561 0.000 3.046 848 D HA -0.202 4.442 4.640 0.006 0.000 0.210 848 D C -0.577 175.423 176.300 -0.499 0.000 1.124 848 D CA 1.538 55.227 54.000 -0.517 0.000 0.986 848 D CB -0.501 40.157 40.800 -0.237 0.000 1.118 848 D HN 0.689 nan 8.370 nan 0.000 0.416 849 K N -0.241 119.825 120.400 -0.556 0.000 2.375 849 K HA 0.391 4.715 4.320 0.006 0.000 0.249 849 K C -0.509 175.802 176.600 -0.481 0.000 0.942 849 K CA -0.796 55.185 56.287 -0.509 0.000 0.806 849 K CB 1.625 33.811 32.500 -0.523 0.000 1.227 849 K HN 0.092 nan 8.250 nan 0.000 0.430 850 H N 2.020 120.950 119.070 -0.232 0.000 2.552 850 H HA 0.206 4.765 4.556 0.006 0.000 0.311 850 H C -0.889 174.316 175.328 -0.205 0.000 1.071 850 H CA -0.052 55.990 56.048 -0.010 0.000 1.307 850 H CB 0.453 30.151 29.762 -0.107 0.000 1.416 850 H HN 0.432 nan 8.280 nan 0.000 0.464 851 Y N 1.958 122.358 120.300 0.167 0.000 2.429 851 Y HA 0.372 4.926 4.550 0.006 0.000 0.342 851 Y C 0.393 176.401 175.900 0.180 0.000 1.004 851 Y CA -0.700 57.465 58.100 0.108 0.000 1.075 851 Y CB 1.658 40.106 38.460 -0.019 0.000 1.214 851 Y HN 0.413 nan 8.280 nan 0.000 0.455 852 I N 2.913 123.665 120.570 0.303 0.000 2.389 852 I HA 0.313 4.487 4.170 0.006 0.000 0.288 852 I C -0.244 175.991 176.117 0.196 0.000 0.999 852 I CA -0.722 60.725 61.300 0.244 0.000 1.129 852 I CB 1.714 39.820 38.000 0.176 0.000 1.288 852 I HN 0.620 nan 8.210 nan 0.000 0.444 853 T N 2.396 117.050 114.554 0.166 0.000 2.909 853 T HA 0.454 4.807 4.350 0.006 0.000 0.286 853 T C -0.268 174.501 174.700 0.115 0.000 1.002 853 T CA -0.866 61.306 62.100 0.119 0.000 1.074 853 T CB 1.266 70.187 68.868 0.088 0.000 0.984 853 T HN 0.430 nan 8.240 nan 0.000 0.495 854 N N 1.979 120.735 118.700 0.093 0.000 2.284 854 N HA 0.262 5.006 4.740 0.006 0.000 0.300 854 N C -0.952 174.734 175.510 0.293 0.000 1.047 854 N CA -0.660 52.476 53.050 0.143 0.000 0.821 854 N CB 2.418 40.909 38.487 0.007 0.000 1.337 854 N HN 0.707 nan 8.380 nan 0.000 0.482 855 E N 2.244 122.605 120.200 0.268 0.000 2.200 855 E HA 0.238 4.592 4.350 0.006 0.000 0.283 855 E C -2.100 174.608 176.600 0.181 0.000 1.015 855 E CA -1.629 54.891 56.400 0.199 0.000 0.819 855 E CB 1.162 30.921 29.700 0.099 0.000 1.081 855 E HN 0.296 nan 8.360 nan 0.000 0.397 856 P HA 0.003 nan 4.420 nan 0.000 0.269 856 P C -0.149 177.017 177.300 -0.223 0.000 1.209 856 P CA 0.087 62.911 63.100 -0.459 0.000 0.776 856 P CB 0.715 32.181 31.700 -0.391 0.000 0.876 857 I N 4.197 124.617 120.570 -0.249 0.000 2.598 857 I HA 0.061 4.234 4.170 0.006 0.000 0.284 857 I C -1.419 174.631 176.117 -0.110 0.000 1.140 857 I CA -1.357 59.868 61.300 -0.125 0.000 1.420 857 I CB -0.280 37.657 38.000 -0.104 0.000 1.387 857 I HN 0.293 nan 8.210 nan 0.000 0.553 858 P HA 0.360 nan 4.420 nan 0.000 0.278 858 P C -2.492 174.781 177.300 -0.045 0.000 1.266 858 P CA -1.644 61.424 63.100 -0.053 0.000 0.807 858 P CB -0.423 31.257 31.700 -0.033 0.000 1.094 859 P HA -0.024 nan 4.420 nan 0.000 0.261 859 P C -0.492 176.794 177.300 -0.023 0.000 1.173 859 P CA 0.224 63.306 63.100 -0.029 0.000 0.760 859 P CB 0.314 32.000 31.700 -0.023 0.000 0.783 860 K N 0.000 120.387 120.400 -0.021 0.000 2.780 860 K HA 0.000 4.324 4.320 0.006 0.000 0.191 860 K CA 0.000 56.277 56.287 -0.016 0.000 0.838 860 K CB 0.000 32.491 32.500 -0.015 0.000 1.064 860 K HN 0.000 nan 8.250 nan 0.000 0.543