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 1by3_1_A DATA FIRST_RESID 20 DATA SEQUENCE SAWGPAATIA ARQSATGTKT DTPIQKVPQS ISVVTAEEMA LHQPKSVKEA DATA SEQUENCE LSYTPGVSVG TRGASNTYDH LIIRGFAAEG QSQNNYLNGL KLQGNFYNDA DATA SEQUENCE VIDPYMLERA EIMRGPVSVL YGKSSPGGLL NMVSKRPTTE PLKEVQFKAG DATA SEQUENCE TDSLFQTGFD FSDSLDDDGV YSYRLTGLAR SANAQQKGSE EQRYAIAPAF DATA SEQUENCE TWRPDDKTNF TFLSYFQNEP ETGYYGWLPK EGTVEPLPNG KRLPTDFNEG DATA SEQUENCE AKNNTYSRNE KMVGYSFDHE FNDTFTVRQN LRFAENKTSQ NSVYGYGVcS DATA SEQUENCE DPANAYSKQc AALAPADKGH YLARKYVVDD EKLQNFSVDT QLQSKFATGD DATA SEQUENCE IDHTLLTGVD FMRMRNDINA WFGYDDSVPL LNLYNPVNTD FDFNAKDPAN DATA SEQUENCE SGPYRILNKQ KQTGVYVQDQ AQWDKVLVTL GGRYDWADQE SLNRVAGTTD DATA SEQUENCE KRDDKQFTWR GGVNYLFDNG VTPYFSYSES FEPSSQVGKD GNIFAPSKGK DATA SEQUENCE QYEVGVKYVP EDRPIVVTGA VYNLTKTNNL MADPEGSFFS VEGGEIRARG DATA SEQUENCE VEIEAKRPLS ASVNVVGSYT YTDAEYTTDT TYKGNTPAQV PKHMASLWAD DATA SEQUENCE YTFFDGPLSG LTLGTGGRYT GSSYGDPANS FKVGSYTVVD ALVRYDLARV DATA SEQUENCE GMAGSNVALH VNNLFDREYV AScFNTYGcF WGAERQVVAT ATFRF 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 20 S HA 0.000 nan 4.470 nan 0.000 0.327 20 S C 0.000 174.303 174.600 -0.495 0.000 1.055 20 S CA 0.000 57.931 58.200 -0.448 0.000 1.107 20 S CB 0.000 62.616 63.200 -0.973 0.000 0.593 21 A N 2.574 125.274 122.820 -0.200 0.000 1.957 21 A HA -0.230 4.090 4.320 -0.000 0.000 0.224 21 A C 1.644 179.231 177.584 0.005 0.000 1.287 21 A CA 2.695 54.709 52.037 -0.038 0.000 0.682 21 A CB -1.559 17.501 19.000 0.100 0.000 0.833 21 A HN 1.821 nan 8.150 nan 0.000 0.482 22 W N -0.406 120.896 121.300 0.002 0.000 2.800 22 W HA 0.345 5.005 4.660 -0.000 0.000 0.249 22 W C 1.660 178.191 176.519 0.020 0.000 1.294 22 W CA 0.393 57.741 57.345 0.004 0.000 1.402 22 W CB -0.947 28.509 29.460 -0.008 0.000 1.126 22 W HN 0.199 nan 8.180 nan 0.000 0.652 23 G N 2.896 111.427 108.800 -0.448 0.000 2.484 23 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.215 23 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.215 23 G C -0.246 174.601 174.900 -0.090 0.000 1.219 23 G CA 1.536 46.474 45.100 -0.270 0.000 0.791 23 G HN 0.244 nan 8.290 nan 0.000 0.550 24 P HA 0.060 nan 4.420 nan 0.000 0.222 24 P C 1.917 179.206 177.300 -0.018 0.000 1.153 24 P CA 1.612 64.680 63.100 -0.054 0.000 0.798 24 P CB 0.020 31.680 31.700 -0.066 0.000 0.796 25 A N 1.267 124.091 122.820 0.007 0.000 1.877 25 A HA -0.041 4.278 4.320 -0.000 0.000 0.216 25 A C 2.498 180.109 177.584 0.045 0.000 1.186 25 A CA 2.139 54.197 52.037 0.034 0.000 0.620 25 A CB -1.586 17.457 19.000 0.071 0.000 0.822 25 A HN 0.223 nan 8.150 nan 0.000 0.443 26 A N -0.846 122.022 122.820 0.079 0.000 2.121 26 A HA 0.018 4.338 4.320 -0.000 0.000 0.218 26 A C 2.177 179.788 177.584 0.046 0.000 1.154 26 A CA 2.270 54.354 52.037 0.078 0.000 0.679 26 A CB -0.781 18.296 19.000 0.129 0.000 0.795 26 A HN 0.809 nan 8.150 nan 0.000 0.458 27 T N -4.880 109.689 114.554 0.025 0.000 2.969 27 T HA 0.292 4.642 4.350 -0.000 0.000 0.250 27 T C 1.379 176.066 174.700 -0.022 0.000 1.021 27 T CA 0.447 62.547 62.100 0.001 0.000 1.003 27 T CB 0.044 68.909 68.868 -0.005 0.000 1.040 27 T HN 0.110 nan 8.240 nan 0.000 0.492 28 I N 1.448 122.006 120.570 -0.021 0.000 3.393 28 I HA 0.461 4.630 4.170 -0.000 0.000 0.250 28 I C 2.943 179.043 176.117 -0.028 0.000 1.122 28 I CA 0.885 62.166 61.300 -0.032 0.000 1.484 28 I CB -1.389 36.589 38.000 -0.036 0.000 1.468 28 I HN 0.304 nan 8.210 nan 0.000 0.461 29 A N 1.333 124.142 122.820 -0.020 0.000 1.908 29 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 29 A C 2.275 179.848 177.584 -0.019 0.000 1.181 29 A CA 1.971 53.996 52.037 -0.019 0.000 0.627 29 A CB -0.898 18.095 19.000 -0.011 0.000 0.818 29 A HN 0.399 nan 8.150 nan 0.000 0.445 30 A N -0.728 122.086 122.820 -0.010 0.000 2.272 30 A HA -0.093 4.226 4.320 -0.000 0.000 0.213 30 A C 1.994 179.565 177.584 -0.022 0.000 1.183 30 A CA 1.163 53.194 52.037 -0.010 0.000 0.719 30 A CB -0.519 18.484 19.000 0.005 0.000 0.771 30 A HN 0.580 nan 8.150 nan 0.000 0.484 31 R N -0.980 119.503 120.500 -0.029 0.000 2.246 31 R HA 0.067 4.407 4.340 -0.000 0.000 0.199 31 R C 0.136 176.410 176.300 -0.043 0.000 0.984 31 R CA 0.253 56.330 56.100 -0.038 0.000 1.015 31 R CB 0.106 30.380 30.300 -0.044 0.000 0.930 31 R HN 0.456 nan 8.270 nan 0.000 0.475 32 Q N 0.786 120.562 119.800 -0.041 0.000 2.235 32 Q HA 0.241 4.581 4.340 -0.000 0.000 0.250 32 Q C -0.251 175.722 176.000 -0.046 0.000 0.909 32 Q CA 0.014 55.791 55.803 -0.044 0.000 0.910 32 Q CB 2.041 30.754 28.738 -0.042 0.000 1.223 32 Q HN 0.138 nan 8.270 nan 0.000 0.432 33 S N -0.874 114.796 115.700 -0.050 0.000 2.615 33 S HA 0.827 5.297 4.470 -0.000 0.000 0.269 33 S C -0.617 173.953 174.600 -0.049 0.000 1.161 33 S CA -0.134 58.036 58.200 -0.051 0.000 0.817 33 S CB 1.501 64.666 63.200 -0.058 0.000 1.131 33 S HN 0.525 nan 8.310 nan 0.000 0.467 34 A N 0.007 122.800 122.820 -0.044 0.000 2.710 34 A HA 0.377 4.697 4.320 -0.000 0.000 0.212 34 A C 1.321 178.895 177.584 -0.017 0.000 1.358 34 A CA 0.612 52.629 52.037 -0.034 0.000 1.048 34 A CB -0.506 18.477 19.000 -0.028 0.000 1.345 34 A HN 0.745 nan 8.150 nan 0.000 0.583 35 T N -0.008 114.533 114.554 -0.022 0.000 2.962 35 T HA 0.002 4.352 4.350 -0.000 0.000 0.270 35 T C 1.792 176.508 174.700 0.026 0.000 1.088 35 T CA 1.663 63.768 62.100 0.008 0.000 1.127 35 T CB -0.095 68.721 68.868 -0.087 0.000 0.883 35 T HN 0.526 nan 8.240 nan 0.000 0.493 36 G N 1.128 109.907 108.800 -0.035 0.000 2.494 36 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.216 36 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.216 36 G C 1.547 176.407 174.900 -0.067 0.000 1.140 36 G CA 1.200 46.266 45.100 -0.057 0.000 0.801 36 G HN 0.601 nan 8.290 nan 0.000 0.536 37 T N -4.251 110.264 114.554 -0.065 0.000 3.016 37 T HA 0.288 4.638 4.350 -0.000 0.000 0.271 37 T C 1.216 175.874 174.700 -0.070 0.000 0.968 37 T CA 0.610 62.667 62.100 -0.071 0.000 0.891 37 T CB 0.356 69.189 68.868 -0.059 0.000 1.149 37 T HN 0.198 nan 8.240 nan 0.000 0.524 38 K N 0.821 121.181 120.400 -0.067 0.000 3.606 38 K HA -0.167 4.152 4.320 -0.000 0.000 0.289 38 K C 0.118 176.706 176.600 -0.020 0.000 1.221 38 K CA 1.715 57.970 56.287 -0.054 0.000 1.028 38 K CB -2.325 30.122 32.500 -0.089 0.000 1.299 38 K HN 0.761 nan 8.250 nan 0.000 0.454 39 T N -1.340 113.199 114.554 -0.025 0.000 2.940 39 T HA 0.341 4.691 4.350 -0.000 0.000 0.288 39 T C -0.226 174.453 174.700 -0.035 0.000 1.033 39 T CA -0.970 61.117 62.100 -0.022 0.000 1.033 39 T CB 2.102 70.958 68.868 -0.021 0.000 1.079 39 T HN -0.030 nan 8.240 nan 0.000 0.496 40 D N 2.275 122.653 120.400 -0.037 0.000 2.389 40 D HA 0.224 4.863 4.640 -0.000 0.000 0.263 40 D C -0.417 175.853 176.300 -0.050 0.000 1.255 40 D CA 0.734 54.707 54.000 -0.044 0.000 0.914 40 D CB 0.539 41.312 40.800 -0.045 0.000 1.116 40 D HN 0.541 nan 8.370 nan 0.000 0.502 41 T N 3.587 118.108 114.554 -0.054 0.000 2.921 41 T HA 0.367 4.717 4.350 -0.000 0.000 0.297 41 T C -2.555 172.107 174.700 -0.064 0.000 1.013 41 T CA -1.338 60.726 62.100 -0.061 0.000 0.990 41 T CB 2.443 71.271 68.868 -0.066 0.000 1.023 41 T HN 0.037 nan 8.240 nan 0.000 0.447 42 P HA 0.246 nan 4.420 nan 0.000 0.275 42 P C 1.138 178.395 177.300 -0.072 0.000 1.228 42 P CA -0.628 62.434 63.100 -0.062 0.000 0.786 42 P CB 0.434 32.099 31.700 -0.059 0.000 0.927 43 I N 1.610 122.139 120.570 -0.068 0.000 2.181 43 I HA -0.308 3.862 4.170 -0.000 0.000 0.247 43 I C 1.801 177.859 176.117 -0.098 0.000 1.081 43 I CA 2.106 63.358 61.300 -0.079 0.000 1.340 43 I CB -1.792 36.174 38.000 -0.057 0.000 1.036 43 I HN 0.476 nan 8.210 nan 0.000 0.417 44 Q N 0.888 120.647 119.800 -0.068 0.000 2.226 44 Q HA -0.134 4.206 4.340 -0.000 0.000 0.204 44 Q C 1.740 177.692 176.000 -0.080 0.000 0.975 44 Q CA 1.156 56.928 55.803 -0.052 0.000 0.866 44 Q CB -0.366 28.366 28.738 -0.011 0.000 0.915 44 Q HN 0.512 nan 8.270 nan 0.000 0.440 45 K N 0.281 120.626 120.400 -0.091 0.000 2.417 45 K HA 0.170 4.489 4.320 -0.000 0.000 0.196 45 K C -0.649 175.875 176.600 -0.128 0.000 1.023 45 K CA -0.048 56.182 56.287 -0.094 0.000 1.122 45 K CB 0.818 33.270 32.500 -0.080 0.000 0.850 45 K HN -0.021 nan 8.250 nan 0.000 0.521 46 V N 3.524 123.331 119.914 -0.178 0.000 2.350 46 V HA 0.130 4.250 4.120 -0.000 0.000 0.276 46 V C -1.877 174.007 176.094 -0.350 0.000 1.028 46 V CA -1.711 60.466 62.300 -0.206 0.000 0.860 46 V CB 1.196 32.913 31.823 -0.178 0.000 0.990 46 V HN 0.049 nan 8.190 nan 0.000 0.453 47 P HA 0.140 nan 4.420 nan 0.000 0.254 47 P C -0.095 177.080 177.300 -0.207 0.000 1.631 47 P CA 0.314 63.241 63.100 -0.287 0.000 0.861 47 P CB 0.327 31.960 31.700 -0.112 0.000 1.663 48 Q N -1.166 118.445 119.800 -0.316 0.000 2.575 48 Q HA 0.322 4.662 4.340 -0.000 0.000 0.290 48 Q C -0.807 175.110 176.000 -0.138 0.000 0.963 48 Q CA -0.736 54.994 55.803 -0.122 0.000 0.783 48 Q CB 1.949 30.619 28.738 -0.113 0.000 1.467 48 Q HN -0.145 nan 8.270 nan 0.000 0.402 49 S N 1.268 116.951 115.700 -0.030 0.000 2.481 49 S HA 0.476 4.946 4.470 -0.000 0.000 0.276 49 S C -0.651 173.907 174.600 -0.070 0.000 1.247 49 S CA -0.175 58.014 58.200 -0.017 0.000 1.053 49 S CB 0.067 63.277 63.200 0.017 0.000 0.925 49 S HN 0.378 nan 8.310 nan 0.000 0.491 50 I N 2.679 123.208 120.570 -0.068 0.000 2.607 50 I HA 0.510 4.680 4.170 -0.000 0.000 0.290 50 I C -0.821 175.264 176.117 -0.053 0.000 1.129 50 I CA 0.021 61.274 61.300 -0.077 0.000 1.042 50 I CB 1.974 39.918 38.000 -0.094 0.000 1.242 50 I HN 0.473 nan 8.210 nan 0.000 0.421 51 S N 5.656 121.325 115.700 -0.053 0.000 2.532 51 S HA 0.858 5.328 4.470 -0.000 0.000 0.301 51 S C -1.154 173.421 174.600 -0.042 0.000 1.083 51 S CA -0.575 57.604 58.200 -0.034 0.000 1.025 51 S CB 2.013 65.199 63.200 -0.023 0.000 1.056 51 S HN 0.860 nan 8.310 nan 0.000 0.494 52 V N 1.944 121.841 119.914 -0.028 0.000 2.623 52 V HA 0.786 4.905 4.120 -0.000 0.000 0.304 52 V C -1.379 174.705 176.094 -0.017 0.000 1.054 52 V CA -0.518 61.763 62.300 -0.032 0.000 0.882 52 V CB 1.579 33.381 31.823 -0.035 0.000 1.002 52 V HN 0.581 nan 8.190 nan 0.000 0.424 53 V N 5.772 125.673 119.914 -0.022 0.000 2.398 53 V HA 0.591 4.711 4.120 -0.000 0.000 0.286 53 V C 0.859 176.947 176.094 -0.011 0.000 1.026 53 V CA 0.224 62.518 62.300 -0.011 0.000 0.868 53 V CB 1.683 33.492 31.823 -0.022 0.000 0.982 53 V HN 1.139 nan 8.190 nan 0.000 0.443 54 T N 2.091 116.649 114.554 0.007 0.000 2.816 54 T HA 0.541 4.891 4.350 -0.000 0.000 0.282 54 T C 1.322 176.027 174.700 0.008 0.000 0.993 54 T CA 0.111 62.216 62.100 0.008 0.000 0.994 54 T CB 1.590 70.475 68.868 0.028 0.000 1.025 54 T HN 0.738 nan 8.240 nan 0.000 0.529 55 A N 0.413 123.234 122.820 0.002 0.000 1.897 55 A HA 0.018 4.338 4.320 -0.000 0.000 0.215 55 A C 2.182 179.778 177.584 0.021 0.000 1.181 55 A CA 1.370 53.407 52.037 -0.001 0.000 0.620 55 A CB -1.070 17.919 19.000 -0.017 0.000 0.821 55 A HN 0.906 nan 8.150 nan 0.000 0.443 56 E N 0.585 120.815 120.200 0.050 0.000 2.070 56 E HA -0.219 4.130 4.350 -0.000 0.000 0.197 56 E C 1.889 178.539 176.600 0.083 0.000 1.004 56 E CA 1.873 58.334 56.400 0.103 0.000 0.805 56 E CB -0.319 29.480 29.700 0.166 0.000 0.744 56 E HN 0.781 nan 8.360 nan 0.000 0.451 57 E N -0.044 120.203 120.200 0.078 0.000 2.051 57 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 57 E C 2.153 178.746 176.600 -0.011 0.000 0.991 57 E CA 1.230 57.652 56.400 0.036 0.000 0.799 57 E CB -0.219 29.525 29.700 0.073 0.000 0.748 57 E HN 0.263 nan 8.360 nan 0.000 0.449 58 M N 0.556 120.155 119.600 -0.001 0.000 2.149 58 M HA -0.181 4.299 4.480 -0.000 0.000 0.261 58 M C 2.493 178.762 176.300 -0.052 0.000 1.064 58 M CA 1.392 56.682 55.300 -0.018 0.000 1.102 58 M CB -0.281 32.310 32.600 -0.015 0.000 1.369 58 M HN 0.158 nan 8.290 nan 0.000 0.408 59 A N 0.252 123.044 122.820 -0.047 0.000 1.933 59 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 59 A C 2.062 179.555 177.584 -0.153 0.000 1.175 59 A CA 1.470 53.472 52.037 -0.059 0.000 0.628 59 A CB -0.771 18.220 19.000 -0.015 0.000 0.814 59 A HN 0.467 nan 8.150 nan 0.000 0.444 60 L N -0.934 120.117 121.223 -0.288 0.000 1.976 60 L HA -0.160 4.179 4.340 -0.000 0.000 0.209 60 L C 2.344 178.978 176.870 -0.394 0.000 1.071 60 L CA 2.252 56.761 54.840 -0.551 0.000 0.746 60 L CB -0.684 40.751 42.059 -1.039 0.000 0.890 60 L HN 0.515 nan 8.230 nan 0.000 0.432 61 H N -0.537 118.355 119.070 -0.297 0.000 2.502 61 H HA 0.067 4.623 4.556 -0.000 0.000 0.283 61 H C 0.256 175.348 175.328 -0.393 0.000 1.015 61 H CA 0.774 56.646 56.048 -0.293 0.000 1.298 61 H CB 0.133 29.686 29.762 -0.347 0.000 1.411 61 H HN 0.408 nan 8.280 nan 0.000 0.556 62 Q N 0.174 119.820 119.800 -0.256 0.000 2.452 62 Q HA -0.122 4.218 4.340 -0.000 0.000 0.318 62 Q C -2.242 173.611 176.000 -0.246 0.000 1.386 62 Q CA 0.262 55.868 55.803 -0.327 0.000 0.872 62 Q CB -1.550 26.811 28.738 -0.628 0.000 1.151 62 Q HN 0.536 nan 8.270 nan 0.000 0.417 63 P HA -0.051 nan 4.420 nan 0.000 0.269 63 P C 0.680 177.915 177.300 -0.107 0.000 1.209 63 P CA 0.166 63.199 63.100 -0.112 0.000 0.776 63 P CB 0.582 32.229 31.700 -0.088 0.000 0.876 64 K N 0.849 121.192 120.400 -0.096 0.000 2.365 64 K HA 0.078 4.397 4.320 -0.000 0.000 0.197 64 K C 0.771 177.327 176.600 -0.073 0.000 1.042 64 K CA 0.219 56.454 56.287 -0.088 0.000 0.987 64 K CB 0.038 32.490 32.500 -0.080 0.000 0.779 64 K HN 0.525 nan 8.250 nan 0.000 0.484 65 S N -1.202 114.456 115.700 -0.069 0.000 2.705 65 S HA 0.239 4.709 4.470 -0.000 0.000 0.280 65 S C 0.794 175.356 174.600 -0.065 0.000 1.174 65 S CA -0.657 57.504 58.200 -0.065 0.000 0.823 65 S CB 1.401 64.560 63.200 -0.069 0.000 1.162 65 S HN -0.164 nan 8.310 nan 0.000 0.487 66 V N 1.978 121.853 119.914 -0.065 0.000 2.667 66 V HA -0.062 4.057 4.120 -0.000 0.000 0.252 66 V C 2.478 178.532 176.094 -0.067 0.000 1.065 66 V CA 1.788 64.048 62.300 -0.066 0.000 1.083 66 V CB -1.122 30.660 31.823 -0.069 0.000 0.692 66 V HN 0.810 nan 8.190 nan 0.000 0.468 67 K N 0.563 120.925 120.400 -0.063 0.000 1.991 67 K HA -0.245 4.075 4.320 -0.000 0.000 0.212 67 K C 2.088 178.642 176.600 -0.077 0.000 1.049 67 K CA 2.038 58.288 56.287 -0.061 0.000 0.932 67 K CB -0.298 32.173 32.500 -0.048 0.000 0.717 67 K HN 0.407 nan 8.250 nan 0.000 0.441 68 E N 0.490 120.643 120.200 -0.078 0.000 2.333 68 E HA -0.127 4.223 4.350 -0.000 0.000 0.198 68 E C 1.526 178.053 176.600 -0.122 0.000 1.007 68 E CA 0.936 57.276 56.400 -0.099 0.000 0.845 68 E CB -0.114 29.537 29.700 -0.082 0.000 0.766 68 E HN 0.363 nan 8.360 nan 0.000 0.507 69 A N -0.017 122.743 122.820 -0.101 0.000 2.206 69 A HA 0.046 4.366 4.320 -0.000 0.000 0.211 69 A C 1.585 179.114 177.584 -0.093 0.000 1.158 69 A CA 0.483 52.460 52.037 -0.100 0.000 0.761 69 A CB -0.046 18.909 19.000 -0.075 0.000 0.801 69 A HN 0.219 nan 8.150 nan 0.000 0.473 70 L N -1.053 120.112 121.223 -0.098 0.000 2.693 70 L HA 0.087 4.426 4.340 -0.000 0.000 0.235 70 L C 1.996 178.794 176.870 -0.121 0.000 1.127 70 L CA 0.071 54.860 54.840 -0.085 0.000 0.914 70 L CB 0.023 42.036 42.059 -0.078 0.000 1.193 70 L HN 0.202 nan 8.230 nan 0.000 0.502 71 S N 0.291 115.867 115.700 -0.206 0.000 2.378 71 S HA -0.241 4.228 4.470 -0.000 0.000 0.229 71 S C 1.235 175.548 174.600 -0.478 0.000 1.052 71 S CA 1.919 59.876 58.200 -0.405 0.000 1.084 71 S CB -0.383 62.417 63.200 -0.666 0.000 0.950 71 S HN 0.468 nan 8.310 nan 0.000 0.440 72 Y N 2.086 122.340 120.300 -0.077 0.000 2.537 72 Y HA 0.236 4.786 4.550 -0.000 0.000 0.303 72 Y C 1.087 176.989 175.900 0.003 0.000 1.176 72 Y CA -0.289 57.803 58.100 -0.014 0.000 1.273 72 Y CB -0.669 37.787 38.460 -0.007 0.000 1.110 72 Y HN 0.189 nan 8.280 nan 0.000 0.518 73 T N -1.253 113.330 114.554 0.049 0.000 2.888 73 T HA 0.511 4.860 4.350 -0.000 0.000 0.284 73 T C -2.806 171.899 174.700 0.008 0.000 1.017 73 T CA -2.635 59.489 62.100 0.039 0.000 1.022 73 T CB 2.590 71.461 68.868 0.005 0.000 1.013 73 T HN -0.162 nan 8.240 nan 0.000 0.465 74 P HA 0.368 nan 4.420 nan 0.000 0.276 74 P C 0.882 178.165 177.300 -0.027 0.000 1.252 74 P CA 0.284 63.385 63.100 0.001 0.000 0.802 74 P CB 0.505 32.229 31.700 0.039 0.000 1.035 75 G N -1.011 107.763 108.800 -0.044 0.000 2.168 75 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.257 75 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.257 75 G C -0.248 174.608 174.900 -0.074 0.000 0.997 75 G CA 0.238 45.306 45.100 -0.055 0.000 0.708 75 G HN 0.719 nan 8.290 nan 0.000 0.520 76 V N -0.433 119.434 119.914 -0.078 0.000 2.851 76 V HA 0.737 4.857 4.120 -0.000 0.000 0.307 76 V C -0.327 175.717 176.094 -0.084 0.000 1.129 76 V CA -0.067 62.186 62.300 -0.079 0.000 0.932 76 V CB 2.312 34.090 31.823 -0.075 0.000 1.024 76 V HN 0.458 nan 8.190 nan 0.000 0.426 77 S N 4.298 119.953 115.700 -0.076 0.000 2.434 77 S HA 0.238 4.708 4.470 -0.000 0.000 0.318 77 S C 0.732 175.304 174.600 -0.046 0.000 1.062 77 S CA 0.030 58.191 58.200 -0.066 0.000 1.116 77 S CB 1.144 64.307 63.200 -0.062 0.000 0.977 77 S HN 1.106 nan 8.310 nan 0.000 0.480 78 V N 1.370 121.254 119.914 -0.049 0.000 3.541 78 V HA 0.365 4.485 4.120 -0.000 0.000 0.267 78 V C 1.090 177.177 176.094 -0.012 0.000 1.213 78 V CA 1.106 63.382 62.300 -0.040 0.000 1.149 78 V CB -0.282 31.500 31.823 -0.068 0.000 0.822 78 V HN 0.737 nan 8.190 nan 0.000 0.462 79 G N 0.452 109.264 108.800 0.020 0.000 4.379 79 G HA2 0.179 4.138 3.960 -0.000 0.000 0.290 79 G HA3 0.179 4.138 3.960 -0.000 0.000 0.290 79 G C 0.979 175.929 174.900 0.083 0.000 1.065 79 G CA 0.655 45.790 45.100 0.058 0.000 0.833 79 G HN 0.494 nan 8.290 nan 0.000 0.512 80 T N -0.934 113.647 114.554 0.046 0.000 2.833 80 T HA -0.154 4.195 4.350 -0.000 0.000 0.269 80 T C 2.000 176.688 174.700 -0.019 0.000 1.054 80 T CA 1.047 63.179 62.100 0.054 0.000 1.135 80 T CB -0.011 68.869 68.868 0.019 0.000 0.869 80 T HN 0.181 nan 8.240 nan 0.000 0.466 81 R N 1.461 121.871 120.500 -0.151 0.000 2.363 81 R HA 0.399 4.739 4.340 -0.000 0.000 0.236 81 R C 1.396 177.561 176.300 -0.226 0.000 0.966 81 R CA 0.390 56.205 56.100 -0.476 0.000 1.100 81 R CB -1.038 29.045 30.300 -0.361 0.000 1.125 81 R HN 0.620 nan 8.270 nan 0.000 0.514 82 G N 0.087 108.892 108.800 0.009 0.000 2.596 82 G HA2 -0.443 3.517 3.960 -0.000 0.000 0.295 82 G HA3 -0.443 3.517 3.960 -0.000 0.000 0.295 82 G C 1.024 175.977 174.900 0.087 0.000 1.240 82 G CA 0.714 45.878 45.100 0.108 0.000 0.985 82 G HN 0.538 nan 8.290 nan 0.000 0.555 83 A N -0.466 122.430 122.820 0.128 0.000 2.019 83 A HA 0.349 4.669 4.320 -0.000 0.000 0.219 83 A C 2.025 179.678 177.584 0.115 0.000 1.164 83 A CA 2.333 54.435 52.037 0.108 0.000 0.644 83 A CB -0.713 18.356 19.000 0.115 0.000 0.805 83 A HN 2.112 nan 8.150 nan 0.000 0.449 84 S N -0.353 115.444 115.700 0.161 0.000 2.552 84 S HA 0.090 4.559 4.470 -0.000 0.000 0.289 84 S C 0.572 175.187 174.600 0.025 0.000 1.304 84 S CA 0.281 58.560 58.200 0.133 0.000 1.063 84 S CB 0.137 63.438 63.200 0.167 0.000 0.848 84 S HN 0.521 nan 8.310 nan 0.000 0.499 85 N N 2.185 120.861 118.700 -0.040 0.000 2.241 85 N HA 0.198 4.938 4.740 -0.000 0.000 0.238 85 N C 1.038 176.412 175.510 -0.226 0.000 1.244 85 N CA 0.021 53.009 53.050 -0.103 0.000 0.880 85 N CB 0.268 38.702 38.487 -0.088 0.000 1.179 85 N HN 0.558 nan 8.380 nan 0.000 0.513 86 T N -0.310 114.037 114.554 -0.343 0.000 2.720 86 T HA -0.077 4.273 4.350 -0.000 0.000 0.268 86 T C -0.231 173.941 174.700 -0.879 0.000 1.037 86 T CA 1.690 63.346 62.100 -0.741 0.000 1.144 86 T CB -0.147 68.007 68.868 -1.191 0.000 0.864 86 T HN 0.180 nan 8.240 nan 0.000 0.444 87 Y N -0.077 119.999 120.300 -0.372 0.000 2.570 87 Y HA 0.425 4.975 4.550 -0.000 0.000 0.345 87 Y C -0.396 175.297 175.900 -0.346 0.000 1.014 87 Y CA -1.881 55.951 58.100 -0.446 0.000 1.063 87 Y CB 1.177 39.125 38.460 -0.853 0.000 1.272 87 Y HN -0.161 nan 8.280 nan 0.000 0.477 88 D N 0.655 121.001 120.400 -0.089 0.000 2.973 88 D HA 0.120 4.760 4.640 -0.000 0.000 0.263 88 D C -0.701 175.610 176.300 0.018 0.000 1.266 88 D CA -0.040 53.930 54.000 -0.050 0.000 0.975 88 D CB -0.608 40.165 40.800 -0.045 0.000 1.032 88 D HN 0.574 nan 8.370 nan 0.000 0.510 89 H N 0.378 119.455 119.070 0.010 0.000 2.767 89 H HA 0.307 4.862 4.556 -0.000 0.000 0.316 89 H C 0.131 175.429 175.328 -0.051 0.000 1.059 89 H CA -0.194 55.833 56.048 -0.035 0.000 1.461 89 H CB 1.194 30.930 29.762 -0.043 0.000 1.475 89 H HN 0.044 nan 8.280 nan 0.000 0.531 90 L N 4.978 126.236 121.223 0.059 0.000 2.386 90 L HA 0.426 4.766 4.340 -0.000 0.000 0.271 90 L C -0.456 176.391 176.870 -0.039 0.000 0.993 90 L CA -0.685 54.151 54.840 -0.007 0.000 0.819 90 L CB 2.216 44.258 42.059 -0.029 0.000 1.294 90 L HN 0.547 nan 8.230 nan 0.000 0.414 91 I N 4.257 124.797 120.570 -0.050 0.000 2.330 91 I HA 0.380 4.550 4.170 -0.000 0.000 0.286 91 I C -0.402 175.679 176.117 -0.060 0.000 1.025 91 I CA -0.293 60.969 61.300 -0.063 0.000 1.197 91 I CB 1.184 39.136 38.000 -0.080 0.000 1.358 91 I HN 0.401 nan 8.210 nan 0.000 0.467 92 I N 6.628 127.172 120.570 -0.044 0.000 2.336 92 I HA 0.353 4.523 4.170 -0.000 0.000 0.292 92 I C 0.450 176.564 176.117 -0.005 0.000 0.991 92 I CA -0.833 60.436 61.300 -0.051 0.000 1.227 92 I CB 0.969 38.922 38.000 -0.079 0.000 1.366 92 I HN 0.579 nan 8.210 nan 0.000 0.466 93 R N 4.361 124.840 120.500 -0.034 0.000 3.322 93 R HA -0.224 4.116 4.340 -0.000 0.000 0.253 93 R C 0.905 177.242 176.300 0.062 0.000 0.987 93 R CA 0.677 56.788 56.100 0.019 0.000 0.666 93 R CB -2.311 27.949 30.300 -0.066 0.000 1.072 93 R HN 1.249 nan 8.270 nan 0.000 0.447 94 G N -1.167 107.573 108.800 -0.099 0.000 2.168 94 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.263 94 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.263 94 G C -0.032 174.558 174.900 -0.517 0.000 0.977 94 G CA 0.691 45.601 45.100 -0.316 0.000 0.659 94 G HN 0.398 nan 8.290 nan 0.000 0.533 95 F N 0.617 120.487 119.950 -0.133 0.000 2.532 95 F HA 0.788 5.315 4.527 -0.000 0.000 0.321 95 F C 0.486 176.202 175.800 -0.139 0.000 1.089 95 F CA -0.337 57.580 58.000 -0.138 0.000 0.926 95 F CB 2.112 41.031 39.000 -0.136 0.000 1.168 95 F HN 0.290 nan 8.300 nan 0.000 0.459 96 A N 1.318 124.161 122.820 0.037 0.000 2.313 96 A HA 0.925 5.245 4.320 -0.000 0.000 0.323 96 A C -0.640 176.916 177.584 -0.046 0.000 1.133 96 A CA -0.533 51.471 52.037 -0.054 0.000 0.847 96 A CB 0.820 19.744 19.000 -0.127 0.000 1.308 96 A HN 0.927 nan 8.150 nan 0.000 0.475 97 A N -0.114 122.645 122.820 -0.101 0.000 2.287 97 A HA 0.573 4.893 4.320 -0.000 0.000 0.273 97 A C 0.315 177.839 177.584 -0.101 0.000 1.091 97 A CA -0.082 51.895 52.037 -0.100 0.000 0.817 97 A CB -0.073 18.860 19.000 -0.112 0.000 1.069 97 A HN 1.014 nan 8.150 nan 0.000 0.492 98 E N 0.194 120.344 120.200 -0.084 0.000 2.481 98 E HA 0.319 4.669 4.350 -0.000 0.000 0.263 98 E C 1.144 177.700 176.600 -0.074 0.000 0.992 98 E CA 1.371 57.734 56.400 -0.062 0.000 0.938 98 E CB -0.139 29.532 29.700 -0.048 0.000 0.933 98 E HN 1.851 nan 8.360 nan 0.000 0.453 99 G N 3.853 112.616 108.800 -0.061 0.000 2.187 99 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.261 99 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.261 99 G C 0.284 175.093 174.900 -0.152 0.000 1.000 99 G CA 0.582 45.639 45.100 -0.073 0.000 0.718 99 G HN 0.641 nan 8.290 nan 0.000 0.519 100 Q N -2.199 117.486 119.800 -0.191 0.000 2.439 100 Q HA -0.201 4.139 4.340 -0.000 0.000 0.247 100 Q C 0.832 176.577 176.000 -0.425 0.000 0.899 100 Q CA 1.526 57.140 55.803 -0.316 0.000 1.201 100 Q CB -2.398 26.143 28.738 -0.327 0.000 1.608 100 Q HN 0.914 nan 8.270 nan 0.000 0.563 101 S N 0.380 115.920 115.700 -0.268 0.000 2.603 101 S HA 0.266 4.736 4.470 -0.000 0.000 0.268 101 S C 0.734 175.233 174.600 -0.168 0.000 1.317 101 S CA -0.568 57.511 58.200 -0.201 0.000 1.012 101 S CB 1.035 64.165 63.200 -0.116 0.000 0.926 101 S HN 0.212 nan 8.310 nan 0.000 0.539 102 Q N 0.910 120.691 119.800 -0.032 0.000 2.535 102 Q HA 0.152 4.492 4.340 -0.000 0.000 0.228 102 Q C -0.197 175.781 176.000 -0.036 0.000 1.062 102 Q CA 0.109 55.936 55.803 0.040 0.000 0.967 102 Q CB 0.208 28.989 28.738 0.073 0.000 1.273 102 Q HN 0.509 nan 8.270 nan 0.000 0.554 103 N N 0.909 119.594 118.700 -0.024 0.000 2.687 103 N HA 0.154 4.894 4.740 -0.000 0.000 0.275 103 N C -1.881 173.648 175.510 0.032 0.000 1.789 103 N CA -0.197 52.844 53.050 -0.016 0.000 0.806 103 N CB 0.286 38.750 38.487 -0.038 0.000 1.256 103 N HN 0.377 nan 8.380 nan 0.000 0.500 104 N N 0.710 119.413 118.700 0.006 0.000 2.314 104 N HA 0.350 5.090 4.740 -0.000 0.000 0.304 104 N C -1.335 174.182 175.510 0.012 0.000 1.073 104 N CA -0.160 52.910 53.050 0.033 0.000 0.822 104 N CB 1.159 39.626 38.487 -0.034 0.000 1.280 104 N HN 0.143 nan 8.380 nan 0.000 0.489 105 Y N 0.312 120.495 120.300 -0.194 0.000 2.468 105 Y HA 0.397 4.947 4.550 -0.000 0.000 0.342 105 Y C 0.946 176.742 175.900 -0.172 0.000 1.021 105 Y CA -0.743 57.241 58.100 -0.193 0.000 1.079 105 Y CB 1.807 40.113 38.460 -0.257 0.000 1.226 105 Y HN 0.346 nan 8.280 nan 0.000 0.460 106 L N 1.101 122.294 121.223 -0.051 0.000 2.334 106 L HA 0.219 4.559 4.340 -0.000 0.000 0.195 106 L C 0.186 177.017 176.870 -0.065 0.000 1.281 106 L CA 0.250 55.031 54.840 -0.099 0.000 1.004 106 L CB 0.129 42.091 42.059 -0.161 0.000 1.119 106 L HN 0.584 nan 8.230 nan 0.000 0.575 107 N N 0.517 119.175 118.700 -0.070 0.000 3.228 107 N HA 0.206 4.946 4.740 -0.000 0.000 0.289 107 N C 0.380 175.887 175.510 -0.004 0.000 1.419 107 N CA 0.765 53.785 53.050 -0.050 0.000 1.088 107 N CB 0.814 39.255 38.487 -0.078 0.000 1.357 107 N HN 0.674 nan 8.380 nan 0.000 0.504 108 G N 0.160 108.998 108.800 0.063 0.000 2.176 108 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.253 108 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.253 108 G C -0.123 174.930 174.900 0.255 0.000 0.979 108 G CA -0.057 45.143 45.100 0.166 0.000 0.641 108 G HN 0.392 nan 8.290 nan 0.000 0.530 109 L N 0.002 121.312 121.223 0.145 0.000 2.365 109 L HA 0.541 4.881 4.340 -0.000 0.000 0.273 109 L C 0.453 177.207 176.870 -0.194 0.000 1.000 109 L CA -1.069 53.788 54.840 0.029 0.000 0.819 109 L CB 2.059 44.055 42.059 -0.105 0.000 1.284 109 L HN 0.099 nan 8.230 nan 0.000 0.418 110 K N 2.879 122.920 120.400 -0.600 0.000 2.322 110 K HA 0.313 4.633 4.320 -0.000 0.000 0.283 110 K C -0.486 175.802 176.600 -0.521 0.000 1.042 110 K CA -0.443 55.177 56.287 -1.111 0.000 0.958 110 K CB 0.639 32.290 32.500 -1.415 0.000 0.984 110 K HN 0.565 nan 8.250 nan 0.000 0.473 111 L N 5.016 125.989 121.223 -0.417 0.000 2.384 111 L HA 0.068 4.408 4.340 -0.000 0.000 0.258 111 L C 0.169 176.904 176.870 -0.225 0.000 1.266 111 L CA -0.444 54.246 54.840 -0.250 0.000 1.162 111 L CB -0.030 41.916 42.059 -0.188 0.000 1.375 111 L HN 0.599 nan 8.230 nan 0.000 0.420 112 Q N 1.935 121.607 119.800 -0.214 0.000 2.262 112 Q HA 0.307 4.646 4.340 -0.000 0.000 0.272 112 Q C 0.275 176.227 176.000 -0.081 0.000 1.076 112 Q CA 0.261 55.973 55.803 -0.151 0.000 0.905 112 Q CB 1.240 29.907 28.738 -0.118 0.000 1.182 112 Q HN 0.543 nan 8.270 nan 0.000 0.390 113 G N 2.984 111.749 108.800 -0.059 0.000 2.938 113 G HA2 0.593 4.553 3.960 -0.000 0.000 0.258 113 G HA3 0.593 4.553 3.960 -0.000 0.000 0.258 113 G C -1.130 173.781 174.900 0.018 0.000 1.356 113 G CA -0.719 44.374 45.100 -0.011 0.000 1.052 113 G HN 0.715 nan 8.290 nan 0.000 0.550 114 N N -2.587 116.151 118.700 0.062 0.000 2.827 114 N HA 0.352 5.092 4.740 -0.000 0.000 0.248 114 N C -0.388 175.256 175.510 0.224 0.000 1.074 114 N CA -0.421 52.697 53.050 0.113 0.000 1.042 114 N CB 0.730 39.285 38.487 0.114 0.000 1.684 114 N HN 0.626 nan 8.380 nan 0.000 0.542 115 F N 1.787 121.728 119.950 -0.015 0.000 2.169 115 F HA -0.437 4.089 4.527 -0.000 0.000 0.314 115 F C 0.646 176.386 175.800 -0.101 0.000 0.318 115 F CA 1.954 59.926 58.000 -0.047 0.000 0.904 115 F CB -0.854 38.216 39.000 0.116 0.000 4.078 115 F HN 0.710 nan 8.300 nan 0.000 0.173 116 Y N 0.076 120.391 120.300 0.025 0.000 2.571 116 Y HA 0.043 4.592 4.550 -0.000 0.000 0.294 116 Y C 1.284 177.274 175.900 0.151 0.000 1.141 116 Y CA 1.278 59.389 58.100 0.018 0.000 1.308 116 Y CB -0.557 37.938 38.460 0.059 0.000 1.002 116 Y HN 0.249 nan 8.280 nan 0.000 0.551 117 N N 1.692 120.572 118.700 0.299 0.000 2.549 117 N HA -0.020 4.720 4.740 -0.000 0.000 0.267 117 N C -1.369 174.232 175.510 0.152 0.000 1.182 117 N CA -0.053 53.133 53.050 0.228 0.000 1.019 117 N CB -0.016 38.584 38.487 0.189 0.000 1.380 117 N HN 0.050 nan 8.380 nan 0.000 0.505 118 D N 1.562 122.089 120.400 0.211 0.000 2.696 118 D HA 0.286 4.926 4.640 -0.000 0.000 0.251 118 D C -0.689 175.716 176.300 0.174 0.000 1.188 118 D CA -0.324 53.764 54.000 0.147 0.000 0.876 118 D CB 1.711 42.535 40.800 0.040 0.000 1.334 118 D HN 0.393 nan 8.370 nan 0.000 0.540 119 A N 1.886 124.744 122.820 0.064 0.000 2.332 119 A HA 0.624 4.944 4.320 -0.000 0.000 0.258 119 A C -0.278 177.305 177.584 -0.003 0.000 1.087 119 A CA -0.292 51.758 52.037 0.022 0.000 0.802 119 A CB 0.939 19.923 19.000 -0.028 0.000 1.042 119 A HN 0.372 nan 8.150 nan 0.000 0.489 120 V N 2.151 122.051 119.914 -0.024 0.000 2.925 120 V HA 0.491 4.611 4.120 -0.000 0.000 0.311 120 V C -1.312 174.740 176.094 -0.070 0.000 1.104 120 V CA -0.605 61.662 62.300 -0.054 0.000 0.954 120 V CB 2.038 33.819 31.823 -0.070 0.000 1.022 120 V HN 0.726 nan 8.190 nan 0.000 0.427 121 I N 3.478 123.975 120.570 -0.122 0.000 2.447 121 I HA 0.356 4.526 4.170 -0.000 0.000 0.287 121 I C -0.107 175.967 176.117 -0.071 0.000 1.023 121 I CA -0.486 60.695 61.300 -0.199 0.000 1.083 121 I CB 1.620 39.402 38.000 -0.363 0.000 1.245 121 I HN 0.648 nan 8.210 nan 0.000 0.434 122 D N 8.674 129.105 120.400 0.051 0.000 2.443 122 D HA 0.071 4.711 4.640 -0.000 0.000 0.239 122 D C -1.465 174.851 176.300 0.027 0.000 1.136 122 D CA -1.005 53.028 54.000 0.054 0.000 0.879 122 D CB 2.054 42.926 40.800 0.120 0.000 1.195 122 D HN 0.270 nan 8.370 nan 0.000 0.443 123 P HA -0.183 nan 4.420 nan 0.000 0.220 123 P C 1.204 178.539 177.300 0.058 0.000 1.148 123 P CA 0.800 63.904 63.100 0.006 0.000 0.803 123 P CB -0.085 31.607 31.700 -0.013 0.000 0.782 124 Y N 0.534 120.804 120.300 -0.050 0.000 2.632 124 Y HA 0.029 4.579 4.550 -0.000 0.000 0.301 124 Y C 1.900 177.781 175.900 -0.031 0.000 1.172 124 Y CA 0.795 58.865 58.100 -0.050 0.000 1.328 124 Y CB -0.437 37.987 38.460 -0.060 0.000 1.016 124 Y HN -0.160 nan 8.280 nan 0.000 0.529 125 M N -0.376 119.195 119.600 -0.049 0.000 2.333 125 M HA 0.202 4.682 4.480 -0.000 0.000 0.257 125 M C -0.232 176.006 176.300 -0.104 0.000 1.078 125 M CA 0.276 55.525 55.300 -0.086 0.000 1.005 125 M CB 0.074 32.727 32.600 0.089 0.000 1.444 125 M HN -0.032 nan 8.290 nan 0.000 0.496 126 L N 0.295 121.461 121.223 -0.095 0.000 2.343 126 L HA 0.215 4.555 4.340 -0.000 0.000 0.275 126 L C 1.306 178.125 176.870 -0.085 0.000 1.056 126 L CA -0.132 54.653 54.840 -0.091 0.000 0.804 126 L CB 1.498 43.509 42.059 -0.079 0.000 1.203 126 L HN 0.033 nan 8.230 nan 0.000 0.440 127 E N 1.103 121.258 120.200 -0.076 0.000 2.244 127 E HA 0.171 4.521 4.350 -0.000 0.000 0.196 127 E C 0.291 176.861 176.600 -0.050 0.000 0.939 127 E CA 0.408 56.770 56.400 -0.062 0.000 0.884 127 E CB 0.729 30.394 29.700 -0.059 0.000 0.850 127 E HN 0.449 nan 8.360 nan 0.000 0.481 128 R N -1.158 119.309 120.500 -0.055 0.000 2.817 128 R HA 0.783 5.123 4.340 -0.000 0.000 0.268 128 R C -1.802 174.463 176.300 -0.059 0.000 1.027 128 R CA -0.552 55.518 56.100 -0.050 0.000 0.928 128 R CB 2.162 32.432 30.300 -0.049 0.000 1.228 128 R HN -0.010 nan 8.270 nan 0.000 0.469 129 A N 2.023 124.809 122.820 -0.056 0.000 2.509 129 A HA 0.370 4.690 4.320 -0.000 0.000 0.282 129 A C -1.495 176.050 177.584 -0.065 0.000 1.054 129 A CA -0.656 51.342 52.037 -0.065 0.000 0.820 129 A CB 1.216 20.178 19.000 -0.062 0.000 1.333 129 A HN 0.671 nan 8.150 nan 0.000 0.409 130 E N 1.394 121.547 120.200 -0.078 0.000 2.212 130 E HA 0.630 4.980 4.350 -0.000 0.000 0.268 130 E C -1.255 175.282 176.600 -0.106 0.000 0.902 130 E CA -0.610 55.740 56.400 -0.083 0.000 0.779 130 E CB 2.954 32.604 29.700 -0.084 0.000 1.172 130 E HN 0.626 nan 8.360 nan 0.000 0.409 131 I N 2.808 123.316 120.570 -0.102 0.000 2.466 131 I HA 0.297 4.466 4.170 -0.000 0.000 0.289 131 I C -1.130 174.909 176.117 -0.131 0.000 1.026 131 I CA -0.793 60.434 61.300 -0.122 0.000 1.078 131 I CB 0.992 38.932 38.000 -0.101 0.000 1.249 131 I HN 0.401 nan 8.210 nan 0.000 0.429 132 M N 6.838 126.337 119.600 -0.169 0.000 2.277 132 M HA 0.454 4.934 4.480 -0.000 0.000 0.350 132 M C -0.395 175.801 176.300 -0.173 0.000 1.180 132 M CA -0.198 54.999 55.300 -0.172 0.000 1.103 132 M CB 1.373 33.846 32.600 -0.211 0.000 1.577 132 M HN 0.546 nan 8.290 nan 0.000 0.459 133 R N 0.320 120.721 120.500 -0.165 0.000 2.562 133 R HA 0.686 5.025 4.340 -0.000 0.000 0.298 133 R C 0.053 176.218 176.300 -0.226 0.000 0.961 133 R CA 0.075 56.060 56.100 -0.192 0.000 0.881 133 R CB 1.724 31.916 30.300 -0.181 0.000 1.159 133 R HN 0.971 nan 8.270 nan 0.000 0.450 134 G N 3.413 112.054 108.800 -0.264 0.000 2.728 134 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.294 134 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.294 134 G C -2.853 171.885 174.900 -0.270 0.000 1.342 134 G CA -1.288 43.641 45.100 -0.285 0.000 0.866 134 G HN 0.403 nan 8.290 nan 0.000 0.534 135 P HA 0.426 nan 4.420 nan 0.000 0.271 135 P C 0.655 177.808 177.300 -0.245 0.000 1.218 135 P CA 0.730 63.660 63.100 -0.283 0.000 0.780 135 P CB 1.098 32.600 31.700 -0.330 0.000 0.901 136 V N -1.626 118.167 119.914 -0.203 0.000 3.823 136 V HA 0.132 4.251 4.120 -0.000 0.000 0.511 136 V C 0.982 177.023 176.094 -0.089 0.000 1.722 136 V CA -0.041 62.175 62.300 -0.140 0.000 2.032 136 V CB -0.456 31.319 31.823 -0.080 0.000 1.128 136 V HN 0.273 nan 8.190 nan 0.000 0.581 137 S N 1.249 116.879 115.700 -0.116 0.000 2.465 137 S HA -0.126 4.344 4.470 -0.000 0.000 0.241 137 S C 1.949 176.491 174.600 -0.096 0.000 1.000 137 S CA 1.736 59.898 58.200 -0.063 0.000 0.964 137 S CB -0.084 63.120 63.200 0.007 0.000 0.763 137 S HN 0.685 nan 8.310 nan 0.000 0.512 138 V N 0.707 120.532 119.914 -0.149 0.000 2.380 138 V HA -0.165 3.955 4.120 -0.000 0.000 0.251 138 V C 1.901 177.839 176.094 -0.261 0.000 1.063 138 V CA 1.484 63.681 62.300 -0.170 0.000 1.055 138 V CB -0.556 31.176 31.823 -0.151 0.000 0.657 138 V HN 0.379 nan 8.190 nan 0.000 0.455 139 L N -2.474 118.519 121.223 -0.384 0.000 2.642 139 L HA 0.283 4.622 4.340 -0.000 0.000 0.233 139 L C 1.467 177.726 176.870 -1.019 0.000 1.077 139 L CA 1.073 55.431 54.840 -0.803 0.000 0.879 139 L CB -0.101 41.445 42.059 -0.854 0.000 1.151 139 L HN 0.384 nan 8.230 nan 0.000 0.495 140 Y N -1.115 119.004 120.300 -0.301 0.000 2.588 140 Y HA 0.588 5.137 4.550 -0.000 0.000 0.247 140 Y C 1.465 177.325 175.900 -0.066 0.000 1.157 140 Y CA -0.057 57.930 58.100 -0.187 0.000 1.215 140 Y CB 0.139 38.454 38.460 -0.242 0.000 1.245 140 Y HN 0.079 nan 8.280 nan 0.000 0.534 141 G N 1.818 110.645 108.800 0.045 0.000 2.593 141 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.237 141 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.237 141 G C -0.369 174.504 174.900 -0.045 0.000 1.312 141 G CA -0.474 44.695 45.100 0.115 0.000 0.896 141 G HN 0.414 nan 8.290 nan 0.000 0.574 142 K N -0.569 119.653 120.400 -0.297 0.000 2.473 142 K HA 0.427 4.747 4.320 -0.000 0.000 0.277 142 K C 0.097 176.445 176.600 -0.419 0.000 1.052 142 K CA 0.926 56.680 56.287 -0.888 0.000 1.114 142 K CB 0.630 32.649 32.500 -0.803 0.000 0.869 142 K HN 1.088 nan 8.250 nan 0.000 0.481 143 S N 1.939 117.383 115.700 -0.426 0.000 2.607 143 S HA 0.287 4.757 4.470 -0.000 0.000 0.273 143 S C -1.197 173.253 174.600 -0.251 0.000 1.148 143 S CA -0.794 57.259 58.200 -0.246 0.000 0.833 143 S CB 1.816 64.902 63.200 -0.191 0.000 1.130 143 S HN 0.755 nan 8.310 nan 0.000 0.470 144 S N 1.972 117.553 115.700 -0.199 0.000 2.565 144 S HA 0.408 4.878 4.470 -0.000 0.000 0.276 144 S C -1.774 172.672 174.600 -0.256 0.000 1.326 144 S CA -0.988 57.095 58.200 -0.195 0.000 1.045 144 S CB 0.622 63.738 63.200 -0.139 0.000 0.918 144 S HN 0.509 nan 8.310 nan 0.000 0.505 145 P HA -0.076 nan 4.420 nan 0.000 0.216 145 P C 1.575 178.600 177.300 -0.457 0.000 1.157 145 P CA 1.713 64.509 63.100 -0.507 0.000 0.880 145 P CB -0.317 30.838 31.700 -0.908 0.000 0.791 146 G N -1.529 107.054 108.800 -0.362 0.000 2.450 146 G HA2 0.168 4.128 3.960 -0.000 0.000 0.220 146 G HA3 0.168 4.128 3.960 -0.000 0.000 0.220 146 G C 0.766 175.553 174.900 -0.189 0.000 1.130 146 G CA 0.974 45.972 45.100 -0.171 0.000 0.760 146 G HN 0.699 nan 8.290 nan 0.000 0.557 147 G N -1.495 107.186 108.800 -0.199 0.000 2.325 147 G HA2 0.486 4.446 3.960 -0.000 0.000 0.285 147 G HA3 0.486 4.446 3.960 -0.000 0.000 0.285 147 G C -1.599 173.179 174.900 -0.204 0.000 1.303 147 G CA -0.298 44.677 45.100 -0.207 0.000 0.970 147 G HN 1.278 nan 8.290 nan 0.000 0.490 148 L N -2.524 118.557 121.223 -0.236 0.000 2.540 148 L HA 0.989 5.329 4.340 -0.000 0.000 0.256 148 L C -1.113 175.613 176.870 -0.239 0.000 1.001 148 L CA -1.243 53.447 54.840 -0.251 0.000 0.843 148 L CB 1.585 43.392 42.059 -0.420 0.000 1.436 148 L HN 1.402 nan 8.230 nan 0.000 0.410 149 L N 1.673 122.793 121.223 -0.172 0.000 2.325 149 L HA 0.657 4.996 4.340 -0.000 0.000 0.278 149 L C -0.912 175.872 176.870 -0.142 0.000 1.023 149 L CA 0.034 54.789 54.840 -0.142 0.000 0.811 149 L CB 1.543 43.549 42.059 -0.088 0.000 1.249 149 L HN 0.937 nan 8.230 nan 0.000 0.431 150 N N 5.216 123.827 118.700 -0.147 0.000 2.480 150 N HA 0.431 5.171 4.740 -0.000 0.000 0.289 150 N C -1.624 173.831 175.510 -0.091 0.000 1.073 150 N CA -0.515 52.464 53.050 -0.119 0.000 0.885 150 N CB 1.250 39.626 38.487 -0.185 0.000 1.421 150 N HN 0.688 nan 8.380 nan 0.000 0.503 151 M N 2.736 122.288 119.600 -0.080 0.000 2.238 151 M HA 0.334 4.814 4.480 -0.000 0.000 0.350 151 M C -0.411 175.835 176.300 -0.091 0.000 1.138 151 M CA -0.853 54.392 55.300 -0.091 0.000 1.040 151 M CB 2.108 34.641 32.600 -0.111 0.000 1.639 151 M HN 0.075 nan 8.290 nan 0.000 0.451 152 V N 2.730 122.594 119.914 -0.084 0.000 2.383 152 V HA 0.253 4.373 4.120 -0.000 0.000 0.275 152 V C 0.254 176.295 176.094 -0.088 0.000 1.036 152 V CA -0.469 61.783 62.300 -0.079 0.000 0.889 152 V CB 1.436 33.221 31.823 -0.064 0.000 0.985 152 V HN 0.920 nan 8.190 nan 0.000 0.459 153 S N 4.200 119.842 115.700 -0.095 0.000 2.579 153 S HA 0.225 4.695 4.470 -0.000 0.000 0.275 153 S C 0.221 174.779 174.600 -0.071 0.000 1.345 153 S CA -0.504 57.639 58.200 -0.095 0.000 1.031 153 S CB 0.392 63.534 63.200 -0.096 0.000 0.892 153 S HN 0.626 nan 8.310 nan 0.000 0.529 154 K N 2.106 122.465 120.400 -0.068 0.000 2.412 154 K HA 0.181 4.501 4.320 -0.000 0.000 0.281 154 K C 0.025 176.605 176.600 -0.033 0.000 1.027 154 K CA -0.180 56.069 56.287 -0.062 0.000 0.989 154 K CB 0.372 32.820 32.500 -0.088 0.000 0.935 154 K HN 0.339 nan 8.250 nan 0.000 0.475 155 R N 2.500 122.982 120.500 -0.030 0.000 2.758 155 R HA 0.404 4.743 4.340 -0.000 0.000 0.265 155 R C -2.549 173.746 176.300 -0.008 0.000 1.016 155 R CA -2.838 53.255 56.100 -0.011 0.000 1.040 155 R CB -0.030 30.257 30.300 -0.022 0.000 1.152 155 R HN 0.389 nan 8.270 nan 0.000 0.503 156 P HA 0.029 nan 4.420 nan 0.000 0.267 156 P C -0.193 177.094 177.300 -0.023 0.000 1.205 156 P CA 0.190 63.286 63.100 -0.007 0.000 0.765 156 P CB 0.441 32.166 31.700 0.041 0.000 0.828 157 T N -1.050 113.479 114.554 -0.042 0.000 2.909 157 T HA 0.182 4.532 4.350 -0.000 0.000 0.289 157 T C 0.990 175.680 174.700 -0.017 0.000 1.005 157 T CA -0.309 61.773 62.100 -0.030 0.000 1.084 157 T CB 0.797 69.645 68.868 -0.032 0.000 0.975 157 T HN 0.214 nan 8.240 nan 0.000 0.509 158 T N 1.124 115.675 114.554 -0.004 0.000 3.129 158 T HA 0.146 4.496 4.350 -0.000 0.000 0.251 158 T C -0.260 174.452 174.700 0.020 0.000 1.117 158 T CA 0.078 62.186 62.100 0.013 0.000 1.034 158 T CB -0.277 68.597 68.868 0.010 0.000 0.968 158 T HN 0.722 nan 8.240 nan 0.000 0.526 159 E N 3.374 123.580 120.200 0.010 0.000 2.145 159 E HA 0.364 4.713 4.350 -0.000 0.000 0.270 159 E C -2.488 174.122 176.600 0.017 0.000 0.906 159 E CA -2.618 53.793 56.400 0.017 0.000 0.761 159 E CB 1.091 30.796 29.700 0.009 0.000 1.116 159 E HN 0.161 nan 8.360 nan 0.000 0.408 160 P HA -0.063 nan 4.420 nan 0.000 0.264 160 P C -0.849 176.471 177.300 0.034 0.000 1.179 160 P CA -0.194 62.936 63.100 0.049 0.000 0.763 160 P CB 0.636 32.385 31.700 0.083 0.000 0.806 161 L N 2.955 124.195 121.223 0.029 0.000 2.476 161 L HA 0.467 4.806 4.340 -0.000 0.000 0.269 161 L C -1.046 175.801 176.870 -0.038 0.000 0.965 161 L CA -0.293 54.541 54.840 -0.011 0.000 0.845 161 L CB 1.928 43.959 42.059 -0.046 0.000 1.259 161 L HN 0.257 nan 8.230 nan 0.000 0.403 162 K N 4.772 125.123 120.400 -0.081 0.000 2.656 162 K HA 0.498 4.818 4.320 -0.000 0.000 0.241 162 K C -1.315 175.114 176.600 -0.285 0.000 0.967 162 K CA -0.501 55.619 56.287 -0.278 0.000 0.946 162 K CB 2.067 34.688 32.500 0.202 0.000 1.164 162 K HN 0.590 nan 8.250 nan 0.000 0.459 163 E N 2.925 122.748 120.200 -0.629 0.000 2.272 163 E HA 0.436 4.786 4.350 -0.000 0.000 0.269 163 E C -1.409 175.156 176.600 -0.058 0.000 0.877 163 E CA -0.894 55.389 56.400 -0.194 0.000 0.755 163 E CB 1.933 31.566 29.700 -0.112 0.000 1.192 163 E HN 0.216 nan 8.360 nan 0.000 0.422 164 V N 3.491 123.477 119.914 0.120 0.000 2.735 164 V HA 0.430 4.550 4.120 -0.000 0.000 0.310 164 V C -0.661 175.315 176.094 -0.198 0.000 1.061 164 V CA -0.742 61.616 62.300 0.096 0.000 0.913 164 V CB 1.831 33.800 31.823 0.244 0.000 1.005 164 V HN 0.728 nan 8.190 nan 0.000 0.428 165 Q N 2.605 122.181 119.800 -0.374 0.000 2.331 165 Q HA 0.673 5.013 4.340 -0.000 0.000 0.272 165 Q C -2.312 173.381 176.000 -0.512 0.000 1.062 165 Q CA -0.528 54.985 55.803 -0.483 0.000 0.806 165 Q CB 2.207 30.742 28.738 -0.338 0.000 1.312 165 Q HN 0.573 nan 8.270 nan 0.000 0.431 166 F N 1.862 121.771 119.950 -0.070 0.000 2.507 166 F HA 0.567 5.094 4.527 -0.000 0.000 0.325 166 F C -0.175 175.591 175.800 -0.058 0.000 1.116 166 F CA -0.694 57.302 58.000 -0.006 0.000 0.930 166 F CB 1.967 41.009 39.000 0.071 0.000 1.146 166 F HN 0.349 nan 8.300 nan 0.000 0.447 167 K N 1.922 122.412 120.400 0.150 0.000 2.316 167 K HA 0.946 5.265 4.320 -0.000 0.000 0.251 167 K C -1.260 175.333 176.600 -0.012 0.000 0.934 167 K CA -1.032 55.267 56.287 0.021 0.000 0.802 167 K CB 2.641 35.107 32.500 -0.056 0.000 1.171 167 K HN 0.733 nan 8.250 nan 0.000 0.426 168 A N 1.259 124.020 122.820 -0.099 0.000 2.540 168 A HA 0.842 5.162 4.320 -0.000 0.000 0.297 168 A C -0.912 176.522 177.584 -0.250 0.000 1.056 168 A CA -0.300 51.573 52.037 -0.273 0.000 0.700 168 A CB 1.901 20.794 19.000 -0.179 0.000 1.280 168 A HN 0.802 nan 8.150 nan 0.000 0.398 169 G N -0.446 108.140 108.800 -0.356 0.000 2.428 169 G HA2 0.584 4.544 3.960 -0.000 0.000 0.304 169 G HA3 0.584 4.544 3.960 -0.000 0.000 0.304 169 G C -0.385 174.389 174.900 -0.211 0.000 1.303 169 G CA 0.186 45.156 45.100 -0.217 0.000 0.825 169 G HN 1.058 nan 8.290 nan 0.000 0.484 170 T N 1.349 115.829 114.554 -0.124 0.000 2.902 170 T HA 0.197 4.547 4.350 -0.000 0.000 0.317 170 T C 0.356 174.999 174.700 -0.094 0.000 1.064 170 T CA 1.873 63.919 62.100 -0.090 0.000 1.130 170 T CB -0.018 68.814 68.868 -0.059 0.000 1.073 170 T HN 0.747 nan 8.240 nan 0.000 0.524 171 D N 0.682 121.045 120.400 -0.061 0.000 2.870 171 D HA -0.177 4.463 4.640 -0.000 0.000 0.228 171 D C 0.547 176.830 176.300 -0.029 0.000 1.147 171 D CA 1.193 55.169 54.000 -0.039 0.000 0.757 171 D CB -1.580 39.196 40.800 -0.039 0.000 1.091 171 D HN 0.777 nan 8.370 nan 0.000 0.429 172 S N -1.880 113.794 115.700 -0.044 0.000 3.641 172 S HA -0.263 4.207 4.470 -0.000 0.000 0.346 172 S C 0.265 174.812 174.600 -0.089 0.000 1.074 172 S CA 0.591 58.806 58.200 0.025 0.000 1.026 172 S CB -0.990 62.329 63.200 0.198 0.000 0.908 172 S HN 0.515 nan 8.310 nan 0.000 0.479 173 L N 1.874 122.921 121.223 -0.293 0.000 2.369 173 L HA 0.650 4.990 4.340 -0.000 0.000 0.279 173 L C -0.546 176.007 176.870 -0.529 0.000 1.108 173 L CA 0.570 55.256 54.840 -0.257 0.000 0.852 173 L CB -0.257 41.683 42.059 -0.199 0.000 1.169 173 L HN 0.130 nan 8.230 nan 0.000 0.452 174 F N 4.495 124.440 119.950 -0.008 0.000 2.539 174 F HA 0.582 5.109 4.527 -0.000 0.000 0.318 174 F C 0.004 175.808 175.800 0.006 0.000 1.135 174 F CA -0.427 57.579 58.000 0.009 0.000 0.915 174 F CB 1.710 40.721 39.000 0.019 0.000 1.176 174 F HN 0.544 nan 8.300 nan 0.000 0.440 175 Q N 1.784 121.681 119.800 0.163 0.000 2.377 175 Q HA 0.636 4.976 4.340 -0.000 0.000 0.279 175 Q C -1.660 174.437 176.000 0.162 0.000 1.049 175 Q CA -0.610 55.254 55.803 0.102 0.000 0.825 175 Q CB 2.832 31.563 28.738 -0.012 0.000 1.401 175 Q HN 0.696 nan 8.270 nan 0.000 0.404 176 T N 0.826 115.478 114.554 0.163 0.000 2.909 176 T HA 0.908 5.258 4.350 -0.000 0.000 0.299 176 T C -1.135 173.646 174.700 0.134 0.000 1.073 176 T CA 0.093 62.335 62.100 0.237 0.000 0.999 176 T CB 1.664 70.762 68.868 0.384 0.000 1.098 176 T HN 0.812 nan 8.240 nan 0.000 0.477 177 G N 2.170 111.028 108.800 0.096 0.000 2.646 177 G HA2 0.696 4.656 3.960 -0.000 0.000 0.291 177 G HA3 0.696 4.656 3.960 -0.000 0.000 0.291 177 G C -1.764 173.298 174.900 0.271 0.000 1.445 177 G CA -0.732 44.433 45.100 0.109 0.000 0.814 177 G HN 0.931 nan 8.290 nan 0.000 0.495 178 F N -0.851 119.290 119.950 0.318 0.000 2.626 178 F HA 0.865 5.392 4.527 -0.000 0.000 0.311 178 F C -1.763 174.220 175.800 0.305 0.000 1.088 178 F CA -1.416 56.782 58.000 0.330 0.000 0.949 178 F CB 2.712 42.031 39.000 0.532 0.000 1.322 178 F HN 0.437 nan 8.300 nan 0.000 0.461 179 D N 1.769 122.318 120.400 0.248 0.000 2.478 179 D HA 0.411 5.051 4.640 -0.000 0.000 0.240 179 D C -2.048 174.216 176.300 -0.060 0.000 1.364 179 D CA -0.131 53.907 54.000 0.063 0.000 0.987 179 D CB 1.148 41.863 40.800 -0.142 0.000 1.328 179 D HN 0.452 nan 8.370 nan 0.000 0.584 180 F N 1.440 121.550 119.950 0.267 0.000 2.507 180 F HA 0.609 5.135 4.527 -0.000 0.000 0.325 180 F C 0.393 176.202 175.800 0.015 0.000 1.116 180 F CA -0.676 57.449 58.000 0.209 0.000 0.930 180 F CB 2.411 41.609 39.000 0.331 0.000 1.146 180 F HN 0.098 nan 8.300 nan 0.000 0.447 181 S N 2.125 117.828 115.700 0.005 0.000 2.540 181 S HA 0.716 5.185 4.470 -0.000 0.000 0.275 181 S C -1.875 172.558 174.600 -0.279 0.000 1.123 181 S CA -0.317 57.684 58.200 -0.333 0.000 0.907 181 S CB 1.605 64.704 63.200 -0.169 0.000 1.081 181 S HN 0.727 nan 8.310 nan 0.000 0.476 182 D N 0.467 120.580 120.400 -0.479 0.000 2.725 182 D HA 0.440 5.080 4.640 -0.000 0.000 0.292 182 D C -1.336 175.035 176.300 0.119 0.000 1.288 182 D CA -0.186 53.794 54.000 -0.034 0.000 0.784 182 D CB 1.818 42.743 40.800 0.209 0.000 1.308 182 D HN 0.431 nan 8.370 nan 0.000 0.429 183 S N 0.394 116.212 115.700 0.197 0.000 2.541 183 S HA 0.443 4.913 4.470 -0.000 0.000 0.283 183 S C 1.122 175.902 174.600 0.301 0.000 1.196 183 S CA -0.598 57.747 58.200 0.242 0.000 1.062 183 S CB 1.198 64.499 63.200 0.169 0.000 1.009 183 S HN 0.373 nan 8.310 nan 0.000 0.502 184 L N 0.924 122.356 121.223 0.348 0.000 2.316 184 L HA 0.140 4.480 4.340 -0.000 0.000 0.207 184 L C 1.117 178.133 176.870 0.244 0.000 1.070 184 L CA 0.300 55.312 54.840 0.288 0.000 0.820 184 L CB -0.257 41.982 42.059 0.299 0.000 0.992 184 L HN 0.643 nan 8.230 nan 0.000 0.466 185 D N -1.097 119.490 120.400 0.310 0.000 2.469 185 D HA -0.036 4.604 4.640 -0.000 0.000 0.278 185 D C 0.367 176.778 176.300 0.184 0.000 1.231 185 D CA -0.266 53.897 54.000 0.272 0.000 1.075 185 D CB 0.854 41.878 40.800 0.373 0.000 1.121 185 D HN -0.183 nan 8.370 nan 0.000 0.571 186 D N -1.735 118.754 120.400 0.148 0.000 2.380 186 D HA -0.010 4.629 4.640 -0.000 0.000 0.212 186 D C 0.510 176.865 176.300 0.091 0.000 1.021 186 D CA 0.233 54.298 54.000 0.108 0.000 0.884 186 D CB 0.389 41.242 40.800 0.089 0.000 1.001 186 D HN 0.305 nan 8.370 nan 0.000 0.506 187 D N -0.498 119.956 120.400 0.091 0.000 2.367 187 D HA 0.117 4.757 4.640 -0.000 0.000 0.207 187 D C 1.161 177.492 176.300 0.052 0.000 1.034 187 D CA 0.589 54.627 54.000 0.062 0.000 0.861 187 D CB 1.362 42.192 40.800 0.051 0.000 0.943 187 D HN 0.291 nan 8.370 nan 0.000 0.515 188 G N 0.901 109.745 108.800 0.075 0.000 2.145 188 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.176 188 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.176 188 G C 1.054 175.966 174.900 0.019 0.000 1.013 188 G CA 0.207 45.345 45.100 0.062 0.000 0.689 188 G HN 0.242 nan 8.290 nan 0.000 0.506 189 V N -0.916 118.988 119.914 -0.016 0.000 2.591 189 V HA 0.170 4.289 4.120 -0.000 0.000 0.249 189 V C 0.864 176.763 176.094 -0.325 0.000 1.053 189 V CA 1.395 63.564 62.300 -0.218 0.000 1.068 189 V CB -0.328 31.283 31.823 -0.353 0.000 0.689 189 V HN 0.434 nan 8.190 nan 0.000 0.462 190 Y N 0.148 120.617 120.300 0.282 0.000 2.338 190 Y HA 0.620 5.170 4.550 -0.000 0.000 0.333 190 Y C 0.189 176.291 175.900 0.336 0.000 0.968 190 Y CA -0.678 57.638 58.100 0.359 0.000 1.123 190 Y CB 1.779 40.513 38.460 0.457 0.000 1.165 190 Y HN 0.066 nan 8.280 nan 0.000 0.452 191 S N 2.572 118.521 115.700 0.415 0.000 2.661 191 S HA 0.890 5.360 4.470 -0.000 0.000 0.285 191 S C -1.416 173.485 174.600 0.503 0.000 1.138 191 S CA -0.701 57.720 58.200 0.369 0.000 0.855 191 S CB 2.353 65.651 63.200 0.163 0.000 1.136 191 S HN 0.695 nan 8.310 nan 0.000 0.484 192 Y N -0.762 119.732 120.300 0.323 0.000 2.705 192 Y HA 0.838 5.388 4.550 -0.000 0.000 0.332 192 Y C -1.032 175.028 175.900 0.266 0.000 1.221 192 Y CA -1.212 57.104 58.100 0.360 0.000 1.059 192 Y CB 1.188 39.877 38.460 0.382 0.000 1.298 192 Y HN 1.037 nan 8.280 nan 0.000 0.459 193 R N 2.022 122.634 120.500 0.186 0.000 2.522 193 R HA 0.613 4.953 4.340 -0.000 0.000 0.273 193 R C -2.755 173.771 176.300 0.376 0.000 1.133 193 R CA -0.734 55.419 56.100 0.088 0.000 0.969 193 R CB 1.719 32.046 30.300 0.044 0.000 1.235 193 R HN 0.870 nan 8.270 nan 0.000 0.433 194 L N 3.438 124.941 121.223 0.466 0.000 2.372 194 L HA 0.576 4.915 4.340 -0.000 0.000 0.274 194 L C -1.283 175.847 176.870 0.434 0.000 0.988 194 L CA 0.041 55.178 54.840 0.496 0.000 0.833 194 L CB 2.061 44.483 42.059 0.604 0.000 1.236 194 L HN 0.687 nan 8.230 nan 0.000 0.410 195 T N 2.685 117.330 114.554 0.152 0.000 2.928 195 T HA 0.892 5.242 4.350 -0.000 0.000 0.296 195 T C -0.472 174.000 174.700 -0.380 0.000 1.000 195 T CA 0.066 62.059 62.100 -0.179 0.000 0.989 195 T CB 1.103 69.857 68.868 -0.190 0.000 1.005 195 T HN 0.891 nan 8.240 nan 0.000 0.442 196 G N 3.609 111.831 108.800 -0.964 0.000 2.694 196 G HA2 0.779 4.738 3.960 -0.000 0.000 0.290 196 G HA3 0.779 4.738 3.960 -0.000 0.000 0.290 196 G C -1.444 173.259 174.900 -0.329 0.000 1.386 196 G CA -0.863 43.915 45.100 -0.537 0.000 0.872 196 G HN 1.176 nan 8.290 nan 0.000 0.475 197 L N -2.206 118.988 121.223 -0.048 0.000 2.540 197 L HA 0.975 5.315 4.340 -0.000 0.000 0.256 197 L C -1.145 175.768 176.870 0.072 0.000 1.001 197 L CA -1.428 53.434 54.840 0.037 0.000 0.843 197 L CB 1.225 43.304 42.059 0.034 0.000 1.436 197 L HN 1.405 nan 8.230 nan 0.000 0.410 198 A N 2.069 124.935 122.820 0.077 0.000 2.375 198 A HA 0.844 5.164 4.320 -0.000 0.000 0.295 198 A C -0.764 176.787 177.584 -0.055 0.000 1.066 198 A CA -0.610 51.447 52.037 0.033 0.000 0.722 198 A CB 1.471 20.633 19.000 0.270 0.000 1.206 198 A HN 0.898 nan 8.150 nan 0.000 0.435 199 R N 1.282 121.643 120.500 -0.231 0.000 2.744 199 R HA 0.765 5.105 4.340 -0.000 0.000 0.279 199 R C -1.154 175.052 176.300 -0.157 0.000 0.977 199 R CA -0.169 55.850 56.100 -0.135 0.000 0.906 199 R CB 1.976 32.199 30.300 -0.127 0.000 1.197 199 R HN 0.738 nan 8.270 nan 0.000 0.463 200 S N 1.534 117.226 115.700 -0.013 0.000 2.541 200 S HA 0.892 5.362 4.470 -0.000 0.000 0.280 200 S C -1.875 172.766 174.600 0.069 0.000 1.112 200 S CA -0.081 58.138 58.200 0.032 0.000 0.925 200 S CB 1.785 65.050 63.200 0.109 0.000 1.067 200 S HN 0.851 nan 8.310 nan 0.000 0.479 201 A N 3.517 126.363 122.820 0.043 0.000 2.586 201 A HA 0.679 4.999 4.320 -0.000 0.000 0.291 201 A C -1.614 175.986 177.584 0.027 0.000 1.062 201 A CA -0.912 51.145 52.037 0.033 0.000 0.666 201 A CB 0.891 19.881 19.000 -0.018 0.000 1.281 201 A HN 0.697 nan 8.150 nan 0.000 0.421 202 N N 0.299 119.013 118.700 0.023 0.000 2.509 202 N HA 0.654 5.394 4.740 -0.000 0.000 0.287 202 N C 0.352 175.864 175.510 0.003 0.000 1.121 202 N CA 0.603 53.664 53.050 0.019 0.000 0.977 202 N CB 1.665 40.164 38.487 0.019 0.000 1.167 202 N HN 1.019 nan 8.380 nan 0.000 0.476 203 A N 0.892 123.718 122.820 0.009 0.000 2.280 203 A HA 0.106 4.425 4.320 -0.000 0.000 0.268 203 A C 1.278 178.854 177.584 -0.014 0.000 1.111 203 A CA -0.127 51.916 52.037 0.010 0.000 0.814 203 A CB 0.179 19.206 19.000 0.045 0.000 1.093 203 A HN 0.824 nan 8.150 nan 0.000 0.498 204 Q N -0.851 118.936 119.800 -0.021 0.000 2.079 204 Q HA -0.127 4.213 4.340 -0.000 0.000 0.200 204 Q C 0.035 175.982 176.000 -0.089 0.000 0.974 204 Q CA 1.228 57.000 55.803 -0.051 0.000 0.840 204 Q CB -0.108 28.604 28.738 -0.043 0.000 0.898 204 Q HN 0.772 nan 8.270 nan 0.000 0.430 205 Q N 1.715 121.432 119.800 -0.138 0.000 2.337 205 Q HA 0.111 4.451 4.340 -0.000 0.000 0.270 205 Q C -0.993 174.933 176.000 -0.123 0.000 1.002 205 Q CA 0.386 56.060 55.803 -0.216 0.000 0.888 205 Q CB 0.845 29.279 28.738 -0.506 0.000 1.222 205 Q HN 0.037 nan 8.270 nan 0.000 0.400 206 K N 0.788 121.120 120.400 -0.114 0.000 2.489 206 K HA 0.131 4.450 4.320 -0.000 0.000 0.278 206 K C 0.889 177.459 176.600 -0.049 0.000 1.000 206 K CA 1.086 57.331 56.287 -0.070 0.000 1.012 206 K CB 0.086 32.544 32.500 -0.070 0.000 0.903 206 K HN 0.866 nan 8.250 nan 0.000 0.485 207 G N 1.707 110.498 108.800 -0.015 0.000 2.253 207 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.251 207 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.251 207 G C 0.037 174.958 174.900 0.035 0.000 0.998 207 G CA 0.250 45.357 45.100 0.011 0.000 0.621 207 G HN 0.566 nan 8.290 nan 0.000 0.524 208 S N 0.787 116.509 115.700 0.036 0.000 2.617 208 S HA 0.660 5.129 4.470 -0.000 0.000 0.283 208 S C -0.050 174.578 174.600 0.046 0.000 1.189 208 S CA 0.138 58.378 58.200 0.066 0.000 1.036 208 S CB 1.635 64.903 63.200 0.114 0.000 1.014 208 S HN 0.840 nan 8.310 nan 0.000 0.522 209 E N 0.644 120.873 120.200 0.048 0.000 2.433 209 E HA 0.543 4.893 4.350 -0.000 0.000 0.278 209 E C -1.818 174.792 176.600 0.017 0.000 0.976 209 E CA -1.130 55.289 56.400 0.032 0.000 0.793 209 E CB 1.414 31.137 29.700 0.038 0.000 1.311 209 E HN 0.590 nan 8.360 nan 0.000 0.460 210 E N 1.606 121.804 120.200 -0.002 0.000 2.256 210 E HA 0.372 4.722 4.350 -0.000 0.000 0.268 210 E C -1.039 175.532 176.600 -0.048 0.000 0.877 210 E CA -0.963 55.417 56.400 -0.034 0.000 0.757 210 E CB 2.197 31.860 29.700 -0.060 0.000 1.183 210 E HN 0.511 nan 8.360 nan 0.000 0.418 211 Q N 1.832 121.595 119.800 -0.062 0.000 2.375 211 Q HA 0.540 4.880 4.340 -0.000 0.000 0.271 211 Q C -1.049 174.809 176.000 -0.237 0.000 1.074 211 Q CA -0.880 54.843 55.803 -0.132 0.000 0.808 211 Q CB 3.245 31.998 28.738 0.026 0.000 1.327 211 Q HN 0.526 nan 8.270 nan 0.000 0.441 212 R N 1.759 121.938 120.500 -0.535 0.000 2.626 212 R HA 0.487 4.827 4.340 -0.000 0.000 0.274 212 R C -2.030 173.808 176.300 -0.771 0.000 1.031 212 R CA -0.409 55.430 56.100 -0.435 0.000 0.898 212 R CB 1.388 31.555 30.300 -0.223 0.000 1.222 212 R HN 0.636 nan 8.270 nan 0.000 0.455 213 Y N 1.593 121.901 120.300 0.012 0.000 2.332 213 Y HA 0.689 5.239 4.550 -0.000 0.000 0.325 213 Y C -0.415 175.475 175.900 -0.016 0.000 1.054 213 Y CA -0.576 57.533 58.100 0.016 0.000 1.119 213 Y CB 2.509 40.984 38.460 0.026 0.000 1.168 213 Y HN 0.756 nan 8.280 nan 0.000 0.439 214 A N 3.010 125.870 122.820 0.067 0.000 2.475 214 A HA 0.887 5.207 4.320 -0.000 0.000 0.301 214 A C -2.036 175.515 177.584 -0.055 0.000 1.059 214 A CA -0.710 51.280 52.037 -0.079 0.000 0.710 214 A CB 1.764 20.651 19.000 -0.189 0.000 1.288 214 A HN 0.623 nan 8.150 nan 0.000 0.408 215 I N 0.512 121.029 120.570 -0.087 0.000 2.656 215 I HA 0.726 4.896 4.170 -0.000 0.000 0.292 215 I C -0.418 175.724 176.117 0.042 0.000 1.144 215 I CA -0.323 60.995 61.300 0.031 0.000 1.038 215 I CB 2.086 40.174 38.000 0.147 0.000 1.244 215 I HN 1.036 nan 8.210 nan 0.000 0.420 216 A N 8.083 130.964 122.820 0.102 0.000 2.586 216 A HA 0.812 5.132 4.320 -0.000 0.000 0.320 216 A C -2.830 174.902 177.584 0.247 0.000 1.281 216 A CA -1.294 50.850 52.037 0.179 0.000 0.775 216 A CB 0.103 19.224 19.000 0.202 0.000 1.122 216 A HN 0.443 nan 8.150 nan 0.000 0.470 217 P HA 0.519 nan 4.420 nan 0.000 0.287 217 P C -0.414 177.126 177.300 0.400 0.000 1.281 217 P CA 0.095 63.431 63.100 0.392 0.000 0.781 217 P CB 1.694 33.664 31.700 0.450 0.000 0.903 218 A N 3.650 126.721 122.820 0.419 0.000 2.393 218 A HA 0.778 5.098 4.320 -0.000 0.000 0.306 218 A C -1.731 176.197 177.584 0.574 0.000 1.050 218 A CA -0.500 51.785 52.037 0.413 0.000 0.724 218 A CB 0.938 20.076 19.000 0.230 0.000 1.248 218 A HN 0.446 nan 8.150 nan 0.000 0.424 219 F N 1.362 121.583 119.950 0.451 0.000 2.561 219 F HA 0.713 5.240 4.527 -0.000 0.000 0.313 219 F C -0.582 175.460 175.800 0.403 0.000 1.126 219 F CA -0.207 58.053 58.000 0.433 0.000 0.918 219 F CB 2.283 41.536 39.000 0.422 0.000 1.199 219 F HN 0.435 nan 8.300 nan 0.000 0.444 220 T N 5.643 120.023 114.554 -0.289 0.000 2.792 220 T HA 0.259 4.609 4.350 -0.000 0.000 0.280 220 T C -1.991 172.484 174.700 -0.376 0.000 0.990 220 T CA -0.172 61.777 62.100 -0.253 0.000 0.960 220 T CB 0.689 69.523 68.868 -0.056 0.000 0.939 220 T HN 0.563 nan 8.240 nan 0.000 0.439 221 W N 4.607 125.711 121.300 -0.327 0.000 2.471 221 W HA 0.593 5.253 4.660 -0.000 0.000 0.318 221 W C -0.522 175.969 176.519 -0.046 0.000 1.034 221 W CA -1.631 55.608 57.345 -0.175 0.000 1.224 221 W CB 0.678 30.179 29.460 0.069 0.000 1.335 221 W HN 0.495 nan 8.180 nan 0.000 0.452 222 R N 8.253 128.559 120.500 -0.323 0.000 2.402 222 R HA 0.283 4.623 4.340 -0.000 0.000 0.290 222 R C -1.864 174.117 176.300 -0.532 0.000 1.321 222 R CA -1.413 54.434 56.100 -0.421 0.000 1.283 222 R CB 1.245 31.423 30.300 -0.204 0.000 1.111 222 R HN 0.201 nan 8.270 nan 0.000 0.578 223 P HA -0.178 nan 4.420 nan 0.000 0.214 223 P C -0.650 176.519 177.300 -0.219 0.000 1.163 223 P CA 1.510 64.302 63.100 -0.512 0.000 0.889 223 P CB 0.259 31.561 31.700 -0.662 0.000 0.790 224 D N -3.698 116.576 120.400 -0.210 0.000 2.798 224 D HA 0.109 4.749 4.640 -0.000 0.000 0.308 224 D C -0.059 176.167 176.300 -0.123 0.000 1.187 224 D CA -0.650 53.280 54.000 -0.117 0.000 1.033 224 D CB -0.422 40.334 40.800 -0.072 0.000 1.445 224 D HN -0.133 nan 8.370 nan 0.000 0.550 225 D N -1.072 119.274 120.400 -0.090 0.000 2.363 225 D HA -0.013 4.627 4.640 -0.000 0.000 0.226 225 D C 0.678 176.907 176.300 -0.118 0.000 1.020 225 D CA 0.460 54.403 54.000 -0.094 0.000 0.892 225 D CB 0.028 40.786 40.800 -0.068 0.000 0.900 225 D HN 0.167 nan 8.370 nan 0.000 0.531 226 K N -0.719 119.602 120.400 -0.132 0.000 2.374 226 K HA 0.235 4.554 4.320 -0.000 0.000 0.202 226 K C -0.384 176.093 176.600 -0.206 0.000 1.040 226 K CA 0.118 56.287 56.287 -0.196 0.000 1.085 226 K CB 1.364 33.718 32.500 -0.243 0.000 0.873 226 K HN -0.026 nan 8.250 nan 0.000 0.539 227 T N 0.316 114.775 114.554 -0.158 0.000 2.848 227 T HA 0.380 4.730 4.350 -0.000 0.000 0.285 227 T C -1.288 173.259 174.700 -0.255 0.000 0.995 227 T CA -0.859 61.129 62.100 -0.188 0.000 0.970 227 T CB 1.467 70.258 68.868 -0.128 0.000 0.976 227 T HN 0.081 nan 8.240 nan 0.000 0.441 228 N N 1.929 120.462 118.700 -0.279 0.000 2.480 228 N HA 0.523 5.263 4.740 -0.000 0.000 0.289 228 N C -1.774 173.753 175.510 0.027 0.000 1.073 228 N CA -0.639 52.316 53.050 -0.158 0.000 0.885 228 N CB 0.994 39.385 38.487 -0.160 0.000 1.421 228 N HN 0.524 nan 8.380 nan 0.000 0.503 229 F N 3.342 123.332 119.950 0.067 0.000 2.427 229 F HA 0.517 5.044 4.527 -0.000 0.000 0.348 229 F C -1.009 174.927 175.800 0.226 0.000 1.125 229 F CA -0.189 58.004 58.000 0.321 0.000 0.989 229 F CB 1.593 40.843 39.000 0.417 0.000 1.165 229 F HN 0.237 nan 8.300 nan 0.000 0.442 230 T N 7.662 121.971 114.554 -0.407 0.000 2.815 230 T HA 0.273 4.623 4.350 -0.000 0.000 0.289 230 T C -1.118 173.448 174.700 -0.224 0.000 1.000 230 T CA -0.296 61.673 62.100 -0.220 0.000 0.958 230 T CB 0.436 69.257 68.868 -0.078 0.000 0.944 230 T HN 0.441 nan 8.240 nan 0.000 0.442 231 F N 4.838 124.726 119.950 -0.104 0.000 2.438 231 F HA 0.603 5.129 4.527 -0.000 0.000 0.356 231 F C -0.949 174.950 175.800 0.166 0.000 1.099 231 F CA -1.034 57.045 58.000 0.133 0.000 1.185 231 F CB 0.321 39.584 39.000 0.438 0.000 1.115 231 F HN 0.389 nan 8.300 nan 0.000 0.526 232 L N 6.720 127.624 121.223 -0.533 0.000 2.372 232 L HA 0.454 4.794 4.340 -0.000 0.000 0.273 232 L C -0.640 175.911 176.870 -0.531 0.000 0.989 232 L CA -0.529 54.084 54.840 -0.377 0.000 0.841 232 L CB 1.599 43.540 42.059 -0.196 0.000 1.225 232 L HN 0.703 nan 8.230 nan 0.000 0.414 233 S N 1.925 117.414 115.700 -0.353 0.000 2.566 233 S HA 0.781 5.251 4.470 -0.000 0.000 0.298 233 S C -1.267 173.276 174.600 -0.095 0.000 1.083 233 S CA -0.768 57.278 58.200 -0.257 0.000 0.978 233 S CB 2.353 65.545 63.200 -0.012 0.000 1.073 233 S HN 0.482 nan 8.310 nan 0.000 0.491 234 Y N 1.055 121.043 120.300 -0.520 0.000 2.442 234 Y HA 0.645 5.195 4.550 -0.000 0.000 0.330 234 Y C -2.391 173.134 175.900 -0.625 0.000 1.100 234 Y CA -1.201 56.686 58.100 -0.354 0.000 1.034 234 Y CB 1.299 39.630 38.460 -0.215 0.000 1.285 234 Y HN 0.776 nan 8.280 nan 0.000 0.440 235 F N 4.672 124.424 119.950 -0.330 0.000 2.518 235 F HA 0.562 5.089 4.527 -0.000 0.000 0.323 235 F C -0.493 175.100 175.800 -0.344 0.000 1.129 235 F CA -0.634 57.248 58.000 -0.197 0.000 0.920 235 F CB 2.285 41.246 39.000 -0.064 0.000 1.160 235 F HN 0.441 nan 8.300 nan 0.000 0.440 236 Q N 2.531 122.318 119.800 -0.021 0.000 2.305 236 Q HA 0.420 4.760 4.340 -0.000 0.000 0.271 236 Q C -1.831 174.219 176.000 0.083 0.000 1.046 236 Q CA -0.866 54.926 55.803 -0.018 0.000 0.798 236 Q CB 2.296 31.035 28.738 0.002 0.000 1.286 236 Q HN 0.685 nan 8.270 nan 0.000 0.435 237 N N 2.396 121.168 118.700 0.120 0.000 2.448 237 N HA 0.242 4.982 4.740 -0.000 0.000 0.279 237 N C -1.836 173.783 175.510 0.183 0.000 1.025 237 N CA -0.262 52.876 53.050 0.147 0.000 0.898 237 N CB 1.407 39.983 38.487 0.149 0.000 1.303 237 N HN 0.493 nan 8.380 nan 0.000 0.495 238 E N 4.240 124.506 120.200 0.110 0.000 2.255 238 E HA 0.247 4.597 4.350 -0.000 0.000 0.245 238 E C -1.920 174.728 176.600 0.080 0.000 0.909 238 E CA -1.806 54.638 56.400 0.074 0.000 0.747 238 E CB 1.829 31.526 29.700 -0.006 0.000 1.215 238 E HN 0.490 nan 8.360 nan 0.000 0.424 239 P HA -0.160 nan 4.420 nan 0.000 0.216 239 P C -0.201 177.137 177.300 0.063 0.000 1.150 239 P CA 1.306 64.464 63.100 0.097 0.000 0.837 239 P CB 0.380 32.163 31.700 0.139 0.000 0.786 240 E N -2.051 118.177 120.200 0.047 0.000 2.260 240 E HA 0.159 4.509 4.350 -0.000 0.000 0.266 240 E C 0.343 176.925 176.600 -0.031 0.000 0.887 240 E CA -0.014 56.402 56.400 0.026 0.000 0.777 240 E CB 1.364 31.085 29.700 0.035 0.000 1.205 240 E HN -0.002 nan 8.360 nan 0.000 0.414 241 T N -0.596 113.908 114.554 -0.084 0.000 3.081 241 T HA 0.392 4.742 4.350 -0.000 0.000 0.250 241 T C 0.968 175.529 174.700 -0.232 0.000 1.100 241 T CA 0.442 62.403 62.100 -0.233 0.000 1.038 241 T CB 0.251 68.833 68.868 -0.476 0.000 0.962 241 T HN 0.721 nan 8.240 nan 0.000 0.516 242 G N 0.937 109.670 108.800 -0.111 0.000 2.500 242 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.209 242 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.209 242 G C -0.884 174.051 174.900 0.058 0.000 1.283 242 G CA -0.513 44.575 45.100 -0.021 0.000 0.960 242 G HN 0.561 nan 8.290 nan 0.000 0.528 243 Y N -0.031 120.278 120.300 0.015 0.000 2.304 243 Y HA 0.617 5.167 4.550 -0.000 0.000 0.327 243 Y C 0.353 176.373 175.900 0.200 0.000 1.209 243 Y CA 0.097 58.263 58.100 0.111 0.000 1.299 243 Y CB 1.129 39.663 38.460 0.122 0.000 1.249 243 Y HN 0.976 nan 8.280 nan 0.000 0.519 244 Y N 4.296 124.195 120.300 -0.668 0.000 3.148 244 Y HA 0.377 4.927 4.550 -0.000 0.000 0.225 244 Y C -0.087 175.558 175.900 -0.426 0.000 0.885 244 Y CA -0.453 57.391 58.100 -0.426 0.000 1.140 244 Y CB 0.014 38.370 38.460 -0.174 0.000 1.250 244 Y HN 0.763 nan 8.280 nan 0.000 0.671 245 G N -0.023 108.161 108.800 -1.027 0.000 2.568 245 G HA2 0.416 4.376 3.960 -0.000 0.000 0.293 245 G HA3 0.416 4.376 3.960 -0.000 0.000 0.293 245 G C -1.399 173.701 174.900 0.333 0.000 1.347 245 G CA -0.395 44.533 45.100 -0.286 0.000 1.039 245 G HN 0.154 nan 8.290 nan 0.000 0.523 246 W N -0.820 120.620 121.300 0.233 0.000 2.702 246 W HA 0.674 5.334 4.660 -0.000 0.000 0.331 246 W C -1.166 175.460 176.519 0.177 0.000 1.049 246 W CA -1.014 56.440 57.345 0.183 0.000 1.230 246 W CB 1.604 31.206 29.460 0.237 0.000 1.408 246 W HN 0.138 nan 8.180 nan 0.000 0.492 247 L N 5.776 127.126 121.223 0.211 0.000 2.362 247 L HA 0.616 4.956 4.340 -0.000 0.000 0.271 247 L C -1.946 174.871 176.870 -0.088 0.000 1.002 247 L CA -2.492 52.420 54.840 0.120 0.000 0.818 247 L CB 2.018 44.132 42.059 0.091 0.000 1.298 247 L HN 0.070 nan 8.230 nan 0.000 0.420 248 P HA 0.187 nan 4.420 nan 0.000 0.276 248 P C -0.338 176.804 177.300 -0.262 0.000 1.244 248 P CA -0.505 62.505 63.100 -0.149 0.000 0.801 248 P CB 0.787 32.451 31.700 -0.061 0.000 1.006 249 K N 0.511 120.703 120.400 -0.346 0.000 2.211 249 K HA -0.091 4.229 4.320 -0.000 0.000 0.203 249 K C -0.020 176.391 176.600 -0.316 0.000 1.050 249 K CA 1.158 57.197 56.287 -0.413 0.000 0.945 249 K CB -0.436 31.650 32.500 -0.690 0.000 0.732 249 K HN 0.292 nan 8.250 nan 0.000 0.451 250 E N 0.956 121.010 120.200 -0.243 0.000 1.944 250 E HA 0.228 4.578 4.350 -0.000 0.000 0.272 250 E C 0.368 176.889 176.600 -0.131 0.000 1.195 250 E CA 0.538 56.841 56.400 -0.161 0.000 0.926 250 E CB 0.768 30.397 29.700 -0.117 0.000 1.051 250 E HN 0.523 nan 8.360 nan 0.000 0.404 251 G N 1.889 110.621 108.800 -0.114 0.000 2.318 251 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.172 251 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.172 251 G C 0.876 175.740 174.900 -0.059 0.000 1.002 251 G CA 0.256 45.315 45.100 -0.069 0.000 0.697 251 G HN 0.579 nan 8.290 nan 0.000 0.483 252 T N -2.509 111.908 114.554 -0.230 0.000 3.426 252 T HA 0.368 4.718 4.350 -0.000 0.000 0.195 252 T C 2.277 176.770 174.700 -0.344 0.000 0.963 252 T CA 2.220 63.992 62.100 -0.546 0.000 1.154 252 T CB -0.594 67.754 68.868 -0.867 0.000 1.377 252 T HN 1.171 nan 8.240 nan 0.000 0.342 253 V N 0.749 120.482 119.914 -0.302 0.000 2.307 253 V HA 0.183 4.302 4.120 -0.000 0.000 0.245 253 V C 0.682 176.725 176.094 -0.086 0.000 1.045 253 V CA 0.995 63.208 62.300 -0.145 0.000 1.024 253 V CB -1.097 30.666 31.823 -0.098 0.000 0.651 253 V HN 0.618 nan 8.190 nan 0.000 0.449 254 E N 1.081 121.204 120.200 -0.129 0.000 2.202 254 E HA 0.496 4.846 4.350 -0.000 0.000 0.272 254 E C -2.718 173.853 176.600 -0.048 0.000 0.951 254 E CA -2.542 53.809 56.400 -0.082 0.000 0.813 254 E CB 1.520 31.147 29.700 -0.123 0.000 1.151 254 E HN 0.321 nan 8.360 nan 0.000 0.398 255 P HA 0.060 nan 4.420 nan 0.000 0.274 255 P C -0.554 176.755 177.300 0.015 0.000 1.231 255 P CA -0.182 62.928 63.100 0.016 0.000 0.790 255 P CB 0.592 32.309 31.700 0.027 0.000 0.951 256 L N 4.417 125.665 121.223 0.041 0.000 2.472 256 L HA 0.144 4.483 4.340 -0.000 0.000 0.260 256 L C -0.787 176.144 176.870 0.102 0.000 1.209 256 L CA -1.359 53.523 54.840 0.071 0.000 0.817 256 L CB 0.084 42.225 42.059 0.137 0.000 1.106 256 L HN 0.399 nan 8.230 nan 0.000 0.479 257 P HA -0.164 nan 4.420 nan 0.000 0.224 257 P C 0.186 177.576 177.300 0.149 0.000 1.142 257 P CA 1.236 64.419 63.100 0.138 0.000 0.778 257 P CB -0.126 31.672 31.700 0.163 0.000 0.764 258 N N -1.292 117.514 118.700 0.176 0.000 2.235 258 N HA 0.092 4.832 4.740 -0.000 0.000 0.209 258 N C 1.320 176.828 175.510 -0.003 0.000 1.122 258 N CA 0.320 53.386 53.050 0.028 0.000 0.845 258 N CB -0.634 37.728 38.487 -0.208 0.000 1.004 258 N HN 0.162 nan 8.380 nan 0.000 0.499 259 G N 0.255 109.075 108.800 0.034 0.000 2.212 259 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.266 259 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.266 259 G C -0.107 174.805 174.900 0.020 0.000 0.978 259 G CA 0.632 45.744 45.100 0.020 0.000 0.632 259 G HN 0.517 nan 8.290 nan 0.000 0.537 260 K N 0.037 120.450 120.400 0.021 0.000 2.090 260 K HA 0.717 5.037 4.320 -0.000 0.000 0.249 260 K C 0.481 177.111 176.600 0.050 0.000 0.995 260 K CA -0.678 55.622 56.287 0.022 0.000 0.914 260 K CB 1.072 33.566 32.500 -0.010 0.000 1.057 260 K HN 0.159 nan 8.250 nan 0.000 0.462 261 R N 1.193 121.730 120.500 0.061 0.000 2.711 261 R HA 0.359 4.699 4.340 -0.000 0.000 0.284 261 R C -0.380 175.984 176.300 0.107 0.000 0.968 261 R CA -0.895 55.271 56.100 0.110 0.000 0.924 261 R CB 1.098 31.519 30.300 0.200 0.000 1.162 261 R HN 0.413 nan 8.270 nan 0.000 0.465 262 L N 4.264 125.555 121.223 0.114 0.000 2.506 262 L HA 0.077 4.416 4.340 -0.000 0.000 0.281 262 L C -1.628 175.331 176.870 0.147 0.000 1.228 262 L CA -1.153 53.706 54.840 0.031 0.000 0.850 262 L CB 0.023 42.031 42.059 -0.085 0.000 1.110 262 L HN 0.310 nan 8.230 nan 0.000 0.496 263 P HA 0.027 nan 4.420 nan 0.000 0.272 263 P C 0.354 177.455 177.300 -0.332 0.000 1.230 263 P CA -0.332 62.705 63.100 -0.105 0.000 0.788 263 P CB 0.757 32.452 31.700 -0.007 0.000 0.949 264 T N 0.491 114.623 114.554 -0.703 0.000 2.803 264 T HA -0.153 4.197 4.350 -0.000 0.000 0.269 264 T C 0.884 175.332 174.700 -0.419 0.000 1.052 264 T CA 2.175 63.661 62.100 -1.022 0.000 1.136 264 T CB -0.788 67.637 68.868 -0.738 0.000 0.864 264 T HN 0.644 nan 8.240 nan 0.000 0.467 265 D N -0.213 120.065 120.400 -0.203 0.000 2.325 265 D HA 0.055 4.694 4.640 -0.000 0.000 0.225 265 D C 0.303 176.584 176.300 -0.032 0.000 1.096 265 D CA -0.563 53.373 54.000 -0.108 0.000 0.844 265 D CB -0.929 39.812 40.800 -0.099 0.000 0.925 265 D HN 0.297 nan 8.370 nan 0.000 0.513 266 F N 1.827 121.740 119.950 -0.062 0.000 2.602 266 F HA 0.221 4.748 4.527 -0.000 0.000 0.367 266 F C 0.242 176.028 175.800 -0.024 0.000 1.126 266 F CA 0.096 58.103 58.000 0.012 0.000 1.321 266 F CB 0.466 39.538 39.000 0.120 0.000 1.094 266 F HN -0.145 nan 8.300 nan 0.000 0.594 267 N N 4.273 122.452 118.700 -0.868 0.000 2.410 267 N HA 0.111 4.851 4.740 -0.000 0.000 0.287 267 N C -0.021 175.107 175.510 -0.637 0.000 1.044 267 N CA -0.431 52.304 53.050 -0.525 0.000 0.881 267 N CB 1.234 39.545 38.487 -0.293 0.000 1.405 267 N HN 0.733 nan 8.380 nan 0.000 0.490 268 E N 2.185 122.305 120.200 -0.133 0.000 2.474 268 E HA 0.146 4.495 4.350 -0.000 0.000 0.195 268 E C 0.331 176.988 176.600 0.095 0.000 1.039 268 E CA -0.317 56.103 56.400 0.034 0.000 0.881 268 E CB -0.058 29.839 29.700 0.329 0.000 0.970 268 E HN 0.557 nan 8.360 nan 0.000 0.486 269 G N 0.899 109.776 108.800 0.128 0.000 2.502 269 G HA2 0.519 4.479 3.960 -0.000 0.000 0.305 269 G HA3 0.519 4.479 3.960 -0.000 0.000 0.305 269 G C -0.253 174.705 174.900 0.097 0.000 1.190 269 G CA -0.194 44.991 45.100 0.142 0.000 0.933 269 G HN 0.300 nan 8.290 nan 0.000 0.503 270 A N -0.015 122.875 122.820 0.115 0.000 2.466 270 A HA 0.265 4.585 4.320 -0.000 0.000 0.238 270 A C 1.637 179.313 177.584 0.154 0.000 1.074 270 A CA 0.246 52.360 52.037 0.129 0.000 0.774 270 A CB 0.310 19.416 19.000 0.178 0.000 1.015 270 A HN 0.821 nan 8.150 nan 0.000 0.498 271 K N 0.803 121.277 120.400 0.123 0.000 2.280 271 K HA -0.152 4.167 4.320 -0.000 0.000 0.202 271 K C 0.556 177.235 176.600 0.130 0.000 1.047 271 K CA 1.689 58.037 56.287 0.102 0.000 0.942 271 K CB -0.114 32.431 32.500 0.074 0.000 0.739 271 K HN 0.853 nan 8.250 nan 0.000 0.457 272 N N 0.201 119.021 118.700 0.201 0.000 2.321 272 N HA -0.015 4.725 4.740 -0.000 0.000 0.242 272 N C -0.993 174.650 175.510 0.222 0.000 1.141 272 N CA -0.272 52.905 53.050 0.211 0.000 0.864 272 N CB -0.546 38.089 38.487 0.247 0.000 1.100 272 N HN 0.100 nan 8.380 nan 0.000 0.510 273 N N 0.129 118.955 118.700 0.210 0.000 2.492 273 N HA 0.079 4.818 4.740 -0.000 0.000 0.260 273 N C -0.787 174.745 175.510 0.036 0.000 1.215 273 N CA 0.703 53.836 53.050 0.138 0.000 0.923 273 N CB 0.649 39.252 38.487 0.193 0.000 1.092 273 N HN 0.117 nan 8.380 nan 0.000 0.448 274 T N 1.661 116.178 114.554 -0.063 0.000 2.956 274 T HA 0.378 4.728 4.350 -0.000 0.000 0.312 274 T C -2.046 172.643 174.700 -0.018 0.000 1.151 274 T CA -0.420 61.658 62.100 -0.037 0.000 1.024 274 T CB 0.558 69.365 68.868 -0.101 0.000 1.140 274 T HN 0.379 nan 8.240 nan 0.000 0.473 275 Y N 3.244 123.488 120.300 -0.093 0.000 2.323 275 Y HA 0.562 5.112 4.550 -0.000 0.000 0.322 275 Y C -0.519 175.319 175.900 -0.103 0.000 1.133 275 Y CA -0.877 57.152 58.100 -0.118 0.000 1.093 275 Y CB 1.621 40.007 38.460 -0.124 0.000 1.203 275 Y HN 0.786 nan 8.280 nan 0.000 0.427 276 S N 5.529 121.347 115.700 0.196 0.000 2.632 276 S HA 0.904 5.374 4.470 -0.000 0.000 0.289 276 S C -1.198 173.466 174.600 0.107 0.000 1.115 276 S CA -1.053 57.213 58.200 0.110 0.000 0.889 276 S CB 3.141 66.371 63.200 0.051 0.000 1.116 276 S HN 0.759 nan 8.310 nan 0.000 0.486 277 R N 1.008 121.545 120.500 0.063 0.000 2.626 277 R HA 0.482 4.822 4.340 -0.000 0.000 0.274 277 R C -2.033 174.302 176.300 0.058 0.000 1.031 277 R CA -0.443 55.691 56.100 0.057 0.000 0.898 277 R CB 1.574 31.885 30.300 0.018 0.000 1.222 277 R HN 0.842 nan 8.270 nan 0.000 0.455 278 N N 2.661 121.400 118.700 0.066 0.000 2.295 278 N HA 0.256 4.996 4.740 -0.000 0.000 0.293 278 N C -1.684 173.873 175.510 0.077 0.000 1.040 278 N CA -0.341 52.755 53.050 0.076 0.000 0.840 278 N CB 2.179 40.710 38.487 0.074 0.000 1.468 278 N HN 0.667 nan 8.380 nan 0.000 0.478 279 E N 2.165 122.419 120.200 0.090 0.000 2.256 279 E HA 0.392 4.742 4.350 -0.000 0.000 0.268 279 E C -1.102 175.544 176.600 0.077 0.000 0.877 279 E CA -0.669 55.779 56.400 0.079 0.000 0.757 279 E CB 2.463 32.227 29.700 0.108 0.000 1.183 279 E HN 0.314 nan 8.360 nan 0.000 0.418 280 K N 3.040 123.455 120.400 0.025 0.000 2.426 280 K HA 0.562 4.882 4.320 -0.000 0.000 0.254 280 K C -0.917 175.584 176.600 -0.165 0.000 0.936 280 K CA -0.402 55.865 56.287 -0.034 0.000 0.801 280 K CB 1.834 34.426 32.500 0.153 0.000 1.139 280 K HN 0.350 nan 8.250 nan 0.000 0.424 281 M N 2.505 121.904 119.600 -0.336 0.000 2.386 281 M HA 0.440 4.920 4.480 -0.000 0.000 0.293 281 M C -1.307 174.860 176.300 -0.221 0.000 1.120 281 M CA -1.032 54.131 55.300 -0.229 0.000 0.909 281 M CB 2.534 35.029 32.600 -0.176 0.000 1.661 281 M HN 0.220 nan 8.290 nan 0.000 0.452 282 V N 1.793 121.693 119.914 -0.024 0.000 2.686 282 V HA 0.999 5.119 4.120 -0.000 0.000 0.306 282 V C -0.162 175.982 176.094 0.084 0.000 1.065 282 V CA -0.297 62.034 62.300 0.051 0.000 0.894 282 V CB 2.057 34.077 31.823 0.328 0.000 1.004 282 V HN 1.056 nan 8.190 nan 0.000 0.424 283 G N 3.331 112.096 108.800 -0.059 0.000 2.428 283 G HA2 0.688 4.648 3.960 -0.000 0.000 0.304 283 G HA3 0.688 4.648 3.960 -0.000 0.000 0.304 283 G C -1.915 172.992 174.900 0.012 0.000 1.303 283 G CA -0.061 45.045 45.100 0.010 0.000 0.825 283 G HN 1.241 nan 8.290 nan 0.000 0.484 284 Y N -2.198 118.087 120.300 -0.026 0.000 2.670 284 Y HA 0.861 5.411 4.550 -0.000 0.000 0.334 284 Y C -0.628 175.221 175.900 -0.086 0.000 1.185 284 Y CA -1.209 56.824 58.100 -0.112 0.000 1.053 284 Y CB 1.528 39.902 38.460 -0.143 0.000 1.298 284 Y HN 0.876 nan 8.280 nan 0.000 0.459 285 S N 1.649 117.393 115.700 0.073 0.000 2.594 285 S HA 0.716 5.185 4.470 -0.000 0.000 0.296 285 S C -2.134 172.606 174.600 0.232 0.000 1.124 285 S CA -0.471 57.780 58.200 0.085 0.000 1.011 285 S CB 0.546 63.740 63.200 -0.011 0.000 1.016 285 S HN 0.672 nan 8.310 nan 0.000 0.485 286 F N 3.275 123.324 119.950 0.165 0.000 2.547 286 F HA 0.669 5.196 4.527 -0.000 0.000 0.316 286 F C -1.269 174.606 175.800 0.124 0.000 1.121 286 F CA -0.714 57.399 58.000 0.188 0.000 0.911 286 F CB 1.736 40.953 39.000 0.361 0.000 1.179 286 F HN 0.516 nan 8.300 nan 0.000 0.443 287 D N 2.841 122.803 120.400 -0.731 0.000 2.780 287 D HA 0.381 5.021 4.640 -0.000 0.000 0.242 287 D C -1.725 174.096 176.300 -0.798 0.000 1.135 287 D CA -0.262 53.394 54.000 -0.572 0.000 0.859 287 D CB 1.508 42.129 40.800 -0.298 0.000 1.530 287 D HN 0.586 nan 8.370 nan 0.000 0.493 288 H N 0.183 118.881 119.070 -0.620 0.000 2.966 288 H HA 0.314 4.870 4.556 -0.000 0.000 0.347 288 H C -1.681 173.400 175.328 -0.413 0.000 1.048 288 H CA -0.605 55.106 56.048 -0.562 0.000 1.295 288 H CB 1.303 30.712 29.762 -0.589 0.000 1.744 288 H HN 0.279 nan 8.280 nan 0.000 0.513 289 E N 5.284 124.916 120.200 -0.947 0.000 2.092 289 E HA 0.172 4.521 4.350 -0.000 0.000 0.271 289 E C -0.110 176.084 176.600 -0.675 0.000 0.919 289 E CA -0.484 55.582 56.400 -0.556 0.000 0.760 289 E CB 0.538 30.059 29.700 -0.299 0.000 1.106 289 E HN 0.590 nan 8.360 nan 0.000 0.408 290 F N 3.050 122.852 119.950 -0.247 0.000 2.074 290 F HA -0.028 4.499 4.527 -0.000 0.000 0.293 290 F C 0.813 176.617 175.800 0.006 0.000 1.116 290 F CA 0.734 58.707 58.000 -0.045 0.000 1.212 290 F CB -0.107 38.977 39.000 0.141 0.000 0.998 290 F HN 0.400 nan 8.300 nan 0.000 0.471 291 N N -1.656 117.208 118.700 0.274 0.000 3.439 291 N HA 0.173 4.912 4.740 -0.000 0.000 0.343 291 N C -0.474 175.078 175.510 0.070 0.000 1.597 291 N CA -0.576 52.562 53.050 0.147 0.000 0.733 291 N CB 0.040 38.628 38.487 0.169 0.000 1.973 291 N HN -0.260 nan 8.380 nan 0.000 0.646 292 D N -0.888 119.528 120.400 0.027 0.000 2.340 292 D HA 0.021 4.661 4.640 -0.000 0.000 0.220 292 D C 0.619 176.889 176.300 -0.050 0.000 1.039 292 D CA 0.792 54.784 54.000 -0.013 0.000 0.866 292 D CB 0.184 40.974 40.800 -0.016 0.000 0.913 292 D HN 0.497 nan 8.370 nan 0.000 0.523 293 T N -1.567 112.939 114.554 -0.080 0.000 2.999 293 T HA 0.112 4.462 4.350 -0.000 0.000 0.247 293 T C 0.000 174.438 174.700 -0.438 0.000 1.012 293 T CA -0.022 61.903 62.100 -0.291 0.000 1.048 293 T CB 0.241 68.856 68.868 -0.423 0.000 1.020 293 T HN -0.190 nan 8.240 nan 0.000 0.478 294 F N 1.549 121.566 119.950 0.113 0.000 2.520 294 F HA 0.678 5.205 4.527 -0.000 0.000 0.322 294 F C -0.070 175.900 175.800 0.282 0.000 1.103 294 F CA -0.742 57.358 58.000 0.167 0.000 0.926 294 F CB 2.444 41.492 39.000 0.080 0.000 1.154 294 F HN -0.171 nan 8.300 nan 0.000 0.453 295 T N 2.455 117.286 114.554 0.462 0.000 3.071 295 T HA 0.420 4.769 4.350 -0.000 0.000 0.311 295 T C -1.351 173.528 174.700 0.299 0.000 1.042 295 T CA -0.514 61.751 62.100 0.275 0.000 1.028 295 T CB 1.893 70.812 68.868 0.086 0.000 1.068 295 T HN 0.412 nan 8.240 nan 0.000 0.451 296 V N 3.643 123.727 119.914 0.284 0.000 2.612 296 V HA 0.802 4.921 4.120 -0.000 0.000 0.301 296 V C -0.411 175.773 176.094 0.151 0.000 1.046 296 V CA -0.637 61.839 62.300 0.294 0.000 0.946 296 V CB 1.661 33.756 31.823 0.454 0.000 1.003 296 V HN 0.800 nan 8.190 nan 0.000 0.459 297 R N 3.951 124.559 120.500 0.180 0.000 2.548 297 R HA 0.498 4.838 4.340 -0.000 0.000 0.280 297 R C -1.435 174.993 176.300 0.212 0.000 1.061 297 R CA -0.516 55.670 56.100 0.144 0.000 0.915 297 R CB 1.827 32.177 30.300 0.084 0.000 1.210 297 R HN 0.837 nan 8.270 nan 0.000 0.442 298 Q N 2.919 122.888 119.800 0.283 0.000 2.359 298 Q HA 0.414 4.754 4.340 -0.000 0.000 0.274 298 Q C -1.668 174.418 176.000 0.145 0.000 1.074 298 Q CA -0.732 55.223 55.803 0.254 0.000 0.810 298 Q CB 2.318 31.288 28.738 0.386 0.000 1.342 298 Q HN 0.719 nan 8.270 nan 0.000 0.427 299 N N 2.785 121.466 118.700 -0.031 0.000 2.371 299 N HA 0.579 5.318 4.740 -0.000 0.000 0.291 299 N C -1.800 173.496 175.510 -0.357 0.000 1.053 299 N CA -0.578 52.358 53.050 -0.189 0.000 0.870 299 N CB 1.757 40.181 38.487 -0.105 0.000 1.503 299 N HN 0.408 nan 8.380 nan 0.000 0.485 300 L N -0.040 120.830 121.223 -0.587 0.000 2.434 300 L HA 0.704 5.044 4.340 -0.000 0.000 0.260 300 L C -1.275 175.386 176.870 -0.348 0.000 0.983 300 L CA -0.713 53.819 54.840 -0.513 0.000 0.820 300 L CB 1.992 43.743 42.059 -0.513 0.000 1.361 300 L HN 0.586 nan 8.230 nan 0.000 0.410 301 R N 2.557 122.932 120.500 -0.208 0.000 2.668 301 R HA 0.677 5.016 4.340 -0.000 0.000 0.272 301 R C -2.281 174.110 176.300 0.152 0.000 1.019 301 R CA -0.597 55.473 56.100 -0.050 0.000 0.894 301 R CB 1.938 32.165 30.300 -0.121 0.000 1.228 301 R HN 0.774 nan 8.270 nan 0.000 0.460 302 F N 2.403 122.421 119.950 0.114 0.000 2.529 302 F HA 0.781 5.308 4.527 -0.000 0.000 0.320 302 F C -1.592 174.266 175.800 0.096 0.000 1.118 302 F CA -0.418 57.710 58.000 0.214 0.000 0.915 302 F CB 2.119 41.278 39.000 0.265 0.000 1.161 302 F HN 0.666 nan 8.300 nan 0.000 0.445 303 A N 4.862 127.196 122.820 -0.810 0.000 2.475 303 A HA 0.678 4.997 4.320 -0.000 0.000 0.301 303 A C -1.475 175.701 177.584 -0.679 0.000 1.059 303 A CA -0.645 51.026 52.037 -0.610 0.000 0.710 303 A CB 1.556 20.386 19.000 -0.284 0.000 1.288 303 A HN 0.755 nan 8.150 nan 0.000 0.408 304 E N 1.398 121.361 120.200 -0.394 0.000 2.191 304 E HA 0.304 4.654 4.350 -0.000 0.000 0.263 304 E C -1.384 175.174 176.600 -0.069 0.000 0.881 304 E CA -0.494 55.789 56.400 -0.194 0.000 0.757 304 E CB 1.558 31.218 29.700 -0.066 0.000 1.147 304 E HN 0.686 nan 8.360 nan 0.000 0.414 305 N N 2.976 121.658 118.700 -0.030 0.000 2.284 305 N HA 0.343 5.083 4.740 -0.000 0.000 0.300 305 N C -1.357 174.182 175.510 0.049 0.000 1.047 305 N CA -0.476 52.584 53.050 0.017 0.000 0.821 305 N CB 1.577 40.074 38.487 0.018 0.000 1.337 305 N HN 0.270 nan 8.380 nan 0.000 0.482 306 K N 1.009 121.446 120.400 0.062 0.000 2.482 306 K HA 0.377 4.696 4.320 -0.000 0.000 0.251 306 K C -1.106 175.539 176.600 0.075 0.000 0.936 306 K CA -0.644 55.684 56.287 0.068 0.000 0.791 306 K CB 2.481 35.016 32.500 0.059 0.000 1.213 306 K HN 0.327 nan 8.250 nan 0.000 0.428 307 T N 0.373 114.976 114.554 0.082 0.000 2.909 307 T HA 0.589 4.939 4.350 -0.000 0.000 0.299 307 T C -1.335 173.369 174.700 0.006 0.000 1.073 307 T CA -0.383 61.764 62.100 0.078 0.000 0.999 307 T CB 1.495 70.456 68.868 0.155 0.000 1.098 307 T HN 0.438 nan 8.240 nan 0.000 0.477 308 S N 1.913 117.574 115.700 -0.066 0.000 2.556 308 S HA 0.750 5.219 4.470 -0.000 0.000 0.271 308 S C -1.809 172.589 174.600 -0.337 0.000 1.135 308 S CA -0.861 57.239 58.200 -0.167 0.000 0.858 308 S CB 1.952 65.094 63.200 -0.098 0.000 1.114 308 S HN 0.948 nan 8.310 nan 0.000 0.468 309 Q N 0.751 120.297 119.800 -0.423 0.000 2.545 309 Q HA 0.473 4.812 4.340 -0.000 0.000 0.273 309 Q C -2.088 173.649 176.000 -0.438 0.000 0.975 309 Q CA -0.887 54.593 55.803 -0.538 0.000 0.876 309 Q CB 1.175 29.269 28.738 -1.073 0.000 1.472 309 Q HN 0.587 nan 8.270 nan 0.000 0.389 310 N N 0.889 119.302 118.700 -0.478 0.000 2.573 310 N HA 0.439 5.178 4.740 -0.000 0.000 0.262 310 N C -1.615 173.587 175.510 -0.514 0.000 1.029 310 N CA -0.347 52.223 53.050 -0.800 0.000 0.882 310 N CB 1.810 39.447 38.487 -1.416 0.000 1.204 310 N HN 0.492 nan 8.380 nan 0.000 0.519 311 S N 1.093 116.780 115.700 -0.021 0.000 2.526 311 S HA 0.476 4.946 4.470 -0.000 0.000 0.293 311 S C -0.456 174.419 174.600 0.459 0.000 1.092 311 S CA -0.611 57.726 58.200 0.229 0.000 0.980 311 S CB 2.443 65.709 63.200 0.111 0.000 1.048 311 S HN 0.089 nan 8.310 nan 0.000 0.483 312 V N 4.030 124.146 119.914 0.336 0.000 2.448 312 V HA 0.597 4.717 4.120 -0.000 0.000 0.295 312 V C -1.311 174.885 176.094 0.170 0.000 1.025 312 V CA -0.592 61.769 62.300 0.100 0.000 0.859 312 V CB 0.865 32.606 31.823 -0.137 0.000 0.988 312 V HN 0.878 nan 8.190 nan 0.000 0.431 313 Y N 2.524 122.839 120.300 0.024 0.000 2.545 313 Y HA 0.904 5.453 4.550 -0.000 0.000 0.348 313 Y C 0.366 176.336 175.900 0.117 0.000 1.002 313 Y CA -1.312 56.803 58.100 0.024 0.000 1.039 313 Y CB 1.187 39.540 38.460 -0.178 0.000 1.271 313 Y HN 0.673 nan 8.280 nan 0.000 0.467 314 G N 0.465 109.446 108.800 0.301 0.000 2.569 314 G HA2 0.257 4.217 3.960 -0.000 0.000 0.249 314 G HA3 0.257 4.217 3.960 -0.000 0.000 0.249 314 G C -1.717 173.467 174.900 0.475 0.000 1.216 314 G CA -0.269 45.021 45.100 0.318 0.000 0.845 314 G HN 0.808 nan 8.290 nan 0.000 0.568 315 Y N 0.577 121.027 120.300 0.249 0.000 2.712 315 Y HA 0.436 4.986 4.550 -0.000 0.000 0.287 315 Y C 0.689 176.665 175.900 0.126 0.000 0.944 315 Y CA 0.420 58.669 58.100 0.248 0.000 1.122 315 Y CB 0.328 38.830 38.460 0.071 0.000 1.182 315 Y HN 1.352 nan 8.280 nan 0.000 0.632 316 G N 0.520 109.480 108.800 0.267 0.000 2.819 316 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.682 316 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.682 316 G C -0.338 174.647 174.900 0.142 0.000 1.481 316 G CA -0.594 44.624 45.100 0.196 0.000 0.904 316 G HN 0.967 nan 8.290 nan 0.000 0.563 317 V N -1.475 118.487 119.914 0.080 0.000 3.441 317 V HA 0.378 4.498 4.120 -0.000 0.000 0.300 317 V C 1.986 178.117 176.094 0.062 0.000 1.091 317 V CA 0.323 62.656 62.300 0.055 0.000 1.099 317 V CB 0.626 32.454 31.823 0.008 0.000 1.138 317 V HN 1.322 nan 8.190 nan 0.000 0.471 318 c N 1.016 119.644 118.600 0.046 0.000 2.432 318 c HA -0.046 4.524 4.570 -0.000 0.000 0.282 318 c C 2.899 176.999 174.090 0.017 0.000 1.388 318 c CA 1.362 57.709 56.329 0.029 0.000 1.777 318 c CB -1.527 40.981 42.510 -0.003 0.000 1.882 318 c HN 1.111 nan 8.230 nan 0.000 0.520 319 S N -0.779 114.928 115.700 0.011 0.000 2.528 319 S HA -0.026 4.443 4.470 -0.000 0.000 0.219 319 S C 0.359 174.975 174.600 0.027 0.000 0.985 319 S CA 0.142 58.348 58.200 0.009 0.000 0.914 319 S CB -0.390 62.808 63.200 -0.002 0.000 0.776 319 S HN 0.701 nan 8.310 nan 0.000 0.526 320 D N 3.822 124.248 120.400 0.042 0.000 2.450 320 D HA 0.060 4.700 4.640 -0.000 0.000 0.247 320 D C -1.307 175.045 176.300 0.088 0.000 1.162 320 D CA -1.314 52.724 54.000 0.065 0.000 0.879 320 D CB 1.349 42.208 40.800 0.098 0.000 1.163 320 D HN 0.103 nan 8.370 nan 0.000 0.472 321 P HA -0.147 nan 4.420 nan 0.000 0.227 321 P C 0.745 178.127 177.300 0.135 0.000 1.145 321 P CA 0.594 63.757 63.100 0.104 0.000 0.769 321 P CB 0.144 31.902 31.700 0.095 0.000 0.769 322 A N -0.195 122.715 122.820 0.149 0.000 2.119 322 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 322 A C 1.406 179.064 177.584 0.124 0.000 1.152 322 A CA 0.811 52.940 52.037 0.154 0.000 0.708 322 A CB -0.876 18.211 19.000 0.145 0.000 0.805 322 A HN 0.212 nan 8.150 nan 0.000 0.460 323 N N -0.560 118.211 118.700 0.119 0.000 2.328 323 N HA 0.385 5.125 4.740 -0.000 0.000 0.247 323 N C 0.952 176.537 175.510 0.125 0.000 1.165 323 N CA 0.524 53.630 53.050 0.095 0.000 0.873 323 N CB 0.617 39.148 38.487 0.073 0.000 1.125 323 N HN 0.316 nan 8.380 nan 0.000 0.513 324 A N -0.355 122.581 122.820 0.193 0.000 2.131 324 A HA -0.133 4.187 4.320 -0.000 0.000 0.220 324 A C 0.494 178.167 177.584 0.148 0.000 1.158 324 A CA 1.176 53.321 52.037 0.181 0.000 0.665 324 A CB -0.391 18.751 19.000 0.237 0.000 0.795 324 A HN 0.360 nan 8.150 nan 0.000 0.460 325 Y N -0.576 119.722 120.300 -0.004 0.000 2.636 325 Y HA 0.322 4.872 4.550 -0.000 0.000 0.260 325 Y C 1.059 176.948 175.900 -0.018 0.000 1.177 325 Y CA -0.640 57.454 58.100 -0.010 0.000 1.209 325 Y CB -0.005 38.447 38.460 -0.013 0.000 1.166 325 Y HN 0.178 nan 8.280 nan 0.000 0.531 326 S N 0.507 116.265 115.700 0.097 0.000 2.411 326 S HA 0.203 4.673 4.470 -0.000 0.000 0.294 326 S C 1.113 175.722 174.600 0.014 0.000 1.115 326 S CA -0.547 57.681 58.200 0.046 0.000 1.071 326 S CB 0.608 63.824 63.200 0.027 0.000 0.967 326 S HN 0.382 nan 8.310 nan 0.000 0.488 327 K N 3.526 123.936 120.400 0.016 0.000 2.044 327 K HA -0.172 4.148 4.320 -0.000 0.000 0.210 327 K C 2.286 178.877 176.600 -0.016 0.000 1.049 327 K CA 2.050 58.335 56.287 -0.003 0.000 0.927 327 K CB -0.106 32.399 32.500 0.009 0.000 0.713 327 K HN 0.690 nan 8.250 nan 0.000 0.443 328 Q N -0.050 119.746 119.800 -0.007 0.000 2.030 328 Q HA -0.225 4.115 4.340 -0.000 0.000 0.204 328 Q C 2.438 178.402 176.000 -0.059 0.000 0.986 328 Q CA 1.761 57.550 55.803 -0.023 0.000 0.843 328 Q CB -0.448 28.291 28.738 0.001 0.000 0.904 328 Q HN 0.398 nan 8.270 nan 0.000 0.420 329 c N 0.353 118.927 118.600 -0.044 0.000 2.413 329 c HA -0.170 4.400 4.570 -0.000 0.000 0.276 329 c C 2.966 177.004 174.090 -0.086 0.000 1.236 329 c CA 0.812 57.101 56.329 -0.068 0.000 1.735 329 c CB -1.277 41.218 42.510 -0.026 0.000 2.031 329 c HN 0.666 nan 8.230 nan 0.000 0.474 330 A N 0.327 123.111 122.820 -0.059 0.000 1.917 330 A HA -0.016 4.304 4.320 -0.000 0.000 0.219 330 A C 2.022 179.563 177.584 -0.072 0.000 1.182 330 A CA 2.004 54.004 52.037 -0.062 0.000 0.633 330 A CB -0.806 18.161 19.000 -0.054 0.000 0.819 330 A HN 0.697 nan 8.150 nan 0.000 0.448 331 A N -1.026 121.750 122.820 -0.075 0.000 2.324 331 A HA 0.525 4.845 4.320 -0.000 0.000 0.240 331 A C 0.313 177.829 177.584 -0.114 0.000 1.347 331 A CA 0.075 52.066 52.037 -0.077 0.000 1.036 331 A CB -0.665 18.299 19.000 -0.060 0.000 0.917 331 A HN 0.410 nan 8.150 nan 0.000 0.519 332 L N -0.331 120.808 121.223 -0.139 0.000 2.362 332 L HA 0.601 4.941 4.340 -0.000 0.000 0.271 332 L C 0.489 177.277 176.870 -0.137 0.000 1.002 332 L CA -0.910 53.811 54.840 -0.198 0.000 0.818 332 L CB 1.952 43.818 42.059 -0.322 0.000 1.298 332 L HN 0.222 nan 8.230 nan 0.000 0.420 333 A N 4.309 127.059 122.820 -0.117 0.000 2.545 333 A HA 0.233 4.553 4.320 -0.000 0.000 0.253 333 A C -2.005 175.542 177.584 -0.062 0.000 1.074 333 A CA -0.785 51.214 52.037 -0.062 0.000 0.760 333 A CB -0.567 18.417 19.000 -0.027 0.000 1.005 333 A HN 0.445 nan 8.150 nan 0.000 0.506 334 P HA 0.159 nan 4.420 nan 0.000 0.235 334 P C 0.265 177.561 177.300 -0.007 0.000 1.670 334 P CA 1.224 64.305 63.100 -0.032 0.000 1.017 334 P CB 0.117 31.803 31.700 -0.023 0.000 1.945 335 A N 1.060 123.880 122.820 -0.001 0.000 2.011 335 A HA 0.054 4.373 4.320 -0.000 0.000 0.170 335 A C 1.436 179.064 177.584 0.073 0.000 1.938 335 A CA -0.012 52.055 52.037 0.051 0.000 1.498 335 A CB -0.149 18.895 19.000 0.073 0.000 1.619 335 A HN 0.148 nan 8.150 nan 0.000 0.343 336 D N 0.444 120.840 120.400 -0.007 0.000 2.289 336 D HA 0.008 4.648 4.640 -0.000 0.000 0.207 336 D C 1.525 177.648 176.300 -0.295 0.000 0.966 336 D CA 0.912 54.811 54.000 -0.168 0.000 0.868 336 D CB 0.015 40.728 40.800 -0.146 0.000 0.943 336 D HN 0.521 nan 8.370 nan 0.000 0.514 337 K N 0.580 120.885 120.400 -0.158 0.000 2.286 337 K HA -0.082 4.238 4.320 -0.000 0.000 0.203 337 K C 1.683 178.240 176.600 -0.071 0.000 1.045 337 K CA 1.211 57.431 56.287 -0.113 0.000 0.935 337 K CB -0.065 32.392 32.500 -0.072 0.000 0.737 337 K HN 0.127 nan 8.250 nan 0.000 0.460 338 G N -0.802 107.960 108.800 -0.063 0.000 3.088 338 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.217 338 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.217 338 G C 0.371 175.251 174.900 -0.034 0.000 1.159 338 G CA 0.248 45.333 45.100 -0.024 0.000 0.760 338 G HN 0.600 nan 8.290 nan 0.000 0.550 339 H N -3.472 115.518 119.070 -0.134 0.000 2.865 339 H HA 0.447 5.003 4.556 -0.000 0.000 0.247 339 H C -1.182 173.953 175.328 -0.323 0.000 1.181 339 H CA -1.135 54.685 56.048 -0.381 0.000 0.975 339 H CB -0.501 28.642 29.762 -1.030 0.000 1.899 339 H HN 0.118 nan 8.280 nan 0.000 0.651 340 Y N 1.037 121.158 120.300 -0.299 0.000 2.331 340 Y HA 0.395 4.945 4.550 -0.000 0.000 0.334 340 Y C -0.886 174.972 175.900 -0.069 0.000 0.960 340 Y CA -1.285 56.710 58.100 -0.175 0.000 1.130 340 Y CB 1.946 40.275 38.460 -0.219 0.000 1.164 340 Y HN 0.296 nan 8.280 nan 0.000 0.458 341 L N 3.958 125.238 121.223 0.095 0.000 2.282 341 L HA 0.849 5.188 4.340 -0.000 0.000 0.288 341 L C -0.087 176.863 176.870 0.132 0.000 1.033 341 L CA -0.237 54.671 54.840 0.113 0.000 0.807 341 L CB 0.807 42.940 42.059 0.123 0.000 1.209 341 L HN 0.706 nan 8.230 nan 0.000 0.423 342 A N 5.925 128.820 122.820 0.125 0.000 2.332 342 A HA 0.783 5.103 4.320 -0.000 0.000 0.258 342 A C -0.162 177.474 177.584 0.088 0.000 1.087 342 A CA -0.310 51.785 52.037 0.097 0.000 0.802 342 A CB 0.425 19.474 19.000 0.083 0.000 1.042 342 A HN 0.832 nan 8.150 nan 0.000 0.489 343 R N 0.101 120.605 120.500 0.007 0.000 2.739 343 R HA 0.540 4.880 4.340 -0.000 0.000 0.271 343 R C -1.084 175.080 176.300 -0.227 0.000 1.010 343 R CA -0.807 55.235 56.100 -0.097 0.000 0.897 343 R CB 2.415 32.663 30.300 -0.086 0.000 1.236 343 R HN 0.811 nan 8.270 nan 0.000 0.466 344 K N 0.566 120.661 120.400 -0.510 0.000 2.283 344 K HA 0.522 4.842 4.320 -0.000 0.000 0.257 344 K C -1.422 174.856 176.600 -0.536 0.000 1.066 344 K CA -0.882 55.096 56.287 -0.516 0.000 0.891 344 K CB 2.106 34.278 32.500 -0.547 0.000 1.438 344 K HN 0.546 nan 8.250 nan 0.000 0.464 345 Y N -2.922 117.225 120.300 -0.256 0.000 2.655 345 Y HA 0.760 5.309 4.550 -0.000 0.000 0.336 345 Y C -1.550 174.528 175.900 0.297 0.000 1.154 345 Y CA -1.233 56.878 58.100 0.019 0.000 1.055 345 Y CB 1.336 39.686 38.460 -0.183 0.000 1.295 345 Y HN 0.262 nan 8.280 nan 0.000 0.465 346 V N 1.494 121.616 119.914 0.347 0.000 2.969 346 V HA 0.755 4.875 4.120 -0.000 0.000 0.304 346 V C -2.151 173.996 176.094 0.088 0.000 1.192 346 V CA -0.654 61.652 62.300 0.011 0.000 0.962 346 V CB 2.026 33.792 31.823 -0.095 0.000 1.045 346 V HN 0.876 nan 8.190 nan 0.000 0.428 347 V N 5.724 125.636 119.914 -0.002 0.000 2.376 347 V HA 0.587 4.706 4.120 -0.000 0.000 0.287 347 V C -0.716 175.308 176.094 -0.116 0.000 1.015 347 V CA -0.226 62.083 62.300 0.015 0.000 0.834 347 V CB 1.495 33.437 31.823 0.198 0.000 1.001 347 V HN 1.037 nan 8.190 nan 0.000 0.428 348 D N 3.145 123.424 120.400 -0.202 0.000 2.433 348 D HA 0.671 5.310 4.640 -0.000 0.000 0.236 348 D C -1.504 174.738 176.300 -0.097 0.000 1.026 348 D CA -0.224 53.690 54.000 -0.143 0.000 0.884 348 D CB 2.265 42.914 40.800 -0.252 0.000 1.384 348 D HN 0.492 nan 8.370 nan 0.000 0.477 349 D N 1.345 121.748 120.400 0.006 0.000 2.548 349 D HA 0.217 4.857 4.640 -0.000 0.000 0.214 349 D C -1.419 174.925 176.300 0.074 0.000 1.345 349 D CA -0.299 53.710 54.000 0.015 0.000 0.945 349 D CB 0.858 41.662 40.800 0.008 0.000 1.499 349 D HN 0.442 nan 8.370 nan 0.000 0.579 350 E N 1.826 122.081 120.200 0.092 0.000 2.336 350 E HA 0.555 4.905 4.350 -0.000 0.000 0.267 350 E C -0.677 175.979 176.600 0.094 0.000 0.906 350 E CA -1.121 55.351 56.400 0.121 0.000 0.781 350 E CB 2.990 32.810 29.700 0.201 0.000 1.261 350 E HN 0.097 nan 8.360 nan 0.000 0.436 351 K N 2.400 122.852 120.400 0.086 0.000 2.613 351 K HA 0.373 4.693 4.320 -0.000 0.000 0.248 351 K C -1.769 174.872 176.600 0.069 0.000 0.959 351 K CA -0.438 55.891 56.287 0.071 0.000 0.855 351 K CB 1.180 33.717 32.500 0.062 0.000 1.143 351 K HN 0.522 nan 8.250 nan 0.000 0.437 352 L N 3.269 124.527 121.223 0.059 0.000 2.334 352 L HA 0.485 4.825 4.340 -0.000 0.000 0.276 352 L C -1.145 175.732 176.870 0.011 0.000 1.014 352 L CA -0.395 54.472 54.840 0.045 0.000 0.815 352 L CB 1.751 43.837 42.059 0.044 0.000 1.268 352 L HN 0.738 nan 8.230 nan 0.000 0.428 353 Q N 4.379 124.194 119.800 0.024 0.000 2.337 353 Q HA 0.400 4.739 4.340 -0.000 0.000 0.270 353 Q C -1.638 174.375 176.000 0.022 0.000 1.043 353 Q CA -0.558 55.250 55.803 0.008 0.000 0.794 353 Q CB 1.913 30.731 28.738 0.133 0.000 1.281 353 Q HN 0.772 nan 8.270 nan 0.000 0.446 354 N N 3.242 121.899 118.700 -0.071 0.000 2.260 354 N HA 0.485 5.225 4.740 -0.000 0.000 0.293 354 N C -2.055 173.582 175.510 0.212 0.000 1.058 354 N CA -0.379 52.696 53.050 0.042 0.000 0.824 354 N CB 1.156 39.615 38.487 -0.047 0.000 1.551 354 N HN 0.376 nan 8.380 nan 0.000 0.475 355 F N 2.086 122.110 119.950 0.124 0.000 2.529 355 F HA 0.570 5.096 4.527 -0.000 0.000 0.320 355 F C -1.177 174.663 175.800 0.068 0.000 1.118 355 F CA -0.385 57.729 58.000 0.189 0.000 0.915 355 F CB 1.758 40.928 39.000 0.283 0.000 1.161 355 F HN 0.258 nan 8.300 nan 0.000 0.445 356 S N 3.913 119.276 115.700 -0.561 0.000 2.546 356 S HA 0.824 5.293 4.470 -0.000 0.000 0.272 356 S C -1.581 172.519 174.600 -0.834 0.000 1.140 356 S CA -0.735 57.099 58.200 -0.610 0.000 0.920 356 S CB 2.025 65.030 63.200 -0.325 0.000 1.083 356 S HN 0.443 nan 8.310 nan 0.000 0.476 357 V N 2.088 121.405 119.914 -0.995 0.000 2.733 357 V HA 0.602 4.721 4.120 -0.000 0.000 0.306 357 V C -1.431 174.308 176.094 -0.591 0.000 1.084 357 V CA -0.673 61.136 62.300 -0.817 0.000 0.905 357 V CB 2.204 33.489 31.823 -0.896 0.000 1.010 357 V HN 0.909 nan 8.190 nan 0.000 0.424 358 D N 2.017 122.260 120.400 -0.261 0.000 2.696 358 D HA 0.621 5.261 4.640 -0.000 0.000 0.251 358 D C -0.810 175.510 176.300 0.034 0.000 1.188 358 D CA 0.002 53.965 54.000 -0.061 0.000 0.876 358 D CB 2.074 42.871 40.800 -0.005 0.000 1.334 358 D HN 0.542 nan 8.370 nan 0.000 0.540 359 T N 3.620 118.234 114.554 0.100 0.000 2.807 359 T HA 0.553 4.903 4.350 -0.000 0.000 0.279 359 T C -0.596 174.167 174.700 0.106 0.000 0.993 359 T CA -0.785 61.393 62.100 0.129 0.000 0.970 359 T CB 1.426 70.388 68.868 0.157 0.000 0.950 359 T HN 0.335 nan 8.240 nan 0.000 0.441 360 Q N 2.121 121.991 119.800 0.117 0.000 2.394 360 Q HA 0.679 5.019 4.340 -0.000 0.000 0.273 360 Q C -1.437 174.630 176.000 0.111 0.000 1.089 360 Q CA -1.149 54.702 55.803 0.080 0.000 0.812 360 Q CB 2.525 31.328 28.738 0.109 0.000 1.353 360 Q HN 0.347 nan 8.270 nan 0.000 0.438 361 L N 2.052 123.328 121.223 0.088 0.000 2.325 361 L HA 0.461 4.801 4.340 -0.000 0.000 0.281 361 L C -1.327 175.632 176.870 0.149 0.000 1.004 361 L CA -0.247 54.679 54.840 0.144 0.000 0.823 361 L CB 1.715 43.842 42.059 0.115 0.000 1.236 361 L HN 0.844 nan 8.230 nan 0.000 0.415 362 Q N 3.262 123.175 119.800 0.189 0.000 2.333 362 Q HA 0.482 4.822 4.340 -0.000 0.000 0.265 362 Q C -1.407 174.696 176.000 0.171 0.000 0.989 362 Q CA -0.390 55.497 55.803 0.139 0.000 0.842 362 Q CB 1.528 30.320 28.738 0.091 0.000 1.262 362 Q HN 0.770 nan 8.270 nan 0.000 0.451 363 S N 3.724 119.485 115.700 0.103 0.000 2.519 363 S HA 0.471 4.940 4.470 -0.000 0.000 0.309 363 S C -1.033 173.483 174.600 -0.141 0.000 1.100 363 S CA -0.763 57.444 58.200 0.011 0.000 1.059 363 S CB 1.346 64.666 63.200 0.199 0.000 1.008 363 S HN 0.455 nan 8.310 nan 0.000 0.478 364 K N 2.692 122.975 120.400 -0.196 0.000 2.274 364 K HA 0.681 5.000 4.320 -0.000 0.000 0.262 364 K C -1.085 175.447 176.600 -0.113 0.000 0.961 364 K CA -0.499 55.659 56.287 -0.214 0.000 0.833 364 K CB 1.079 33.496 32.500 -0.138 0.000 1.102 364 K HN 0.626 nan 8.250 nan 0.000 0.436 365 F N -0.268 119.661 119.950 -0.034 0.000 2.779 365 F HA 0.782 5.308 4.527 -0.000 0.000 0.316 365 F C -1.579 174.268 175.800 0.078 0.000 1.164 365 F CA -1.445 56.541 58.000 -0.023 0.000 0.924 365 F CB 0.694 39.655 39.000 -0.065 0.000 1.348 365 F HN 0.416 nan 8.300 nan 0.000 0.467 366 A N 0.087 123.190 122.820 0.471 0.000 2.387 366 A HA 0.895 5.215 4.320 -0.000 0.000 0.303 366 A C -0.782 177.039 177.584 0.396 0.000 1.145 366 A CA -0.336 51.916 52.037 0.359 0.000 0.801 366 A CB 1.288 20.388 19.000 0.167 0.000 1.342 366 A HN 1.546 nan 8.150 nan 0.000 0.440 367 T N -1.764 112.980 114.554 0.316 0.000 3.233 367 T HA 0.575 4.925 4.350 -0.000 0.000 0.324 367 T C 0.627 175.423 174.700 0.159 0.000 0.992 367 T CA 0.559 62.800 62.100 0.236 0.000 1.414 367 T CB 0.040 69.103 68.868 0.325 0.000 0.935 367 T HN 2.663 nan 8.240 nan 0.000 0.544 368 G N 3.403 112.271 108.800 0.113 0.000 2.559 368 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.282 368 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.282 368 G C 0.208 175.170 174.900 0.104 0.000 1.177 368 G CA 0.428 45.583 45.100 0.091 0.000 0.960 368 G HN 0.629 nan 8.290 nan 0.000 0.540 369 D N 0.935 121.414 120.400 0.132 0.000 2.363 369 D HA 0.292 4.932 4.640 -0.000 0.000 0.214 369 D C 0.324 176.736 176.300 0.187 0.000 1.093 369 D CA 0.281 54.385 54.000 0.174 0.000 0.837 369 D CB 0.616 41.589 40.800 0.289 0.000 0.948 369 D HN 0.262 nan 8.370 nan 0.000 0.507 370 I N 1.817 122.463 120.570 0.127 0.000 2.312 370 I HA 0.103 4.273 4.170 -0.000 0.000 0.290 370 I C 0.179 176.247 176.117 -0.081 0.000 1.008 370 I CA -0.620 60.695 61.300 0.025 0.000 1.226 370 I CB 1.329 39.323 38.000 -0.010 0.000 1.371 370 I HN -0.316 nan 8.210 nan 0.000 0.468 371 D N 5.800 126.106 120.400 -0.156 0.000 2.198 371 D HA 0.287 4.927 4.640 -0.000 0.000 0.245 371 D C -0.166 175.916 176.300 -0.364 0.000 1.079 371 D CA -0.146 53.755 54.000 -0.164 0.000 0.854 371 D CB 1.096 41.831 40.800 -0.107 0.000 1.148 371 D HN 0.411 nan 8.370 nan 0.000 0.456 372 H N 0.477 119.397 119.070 -0.249 0.000 2.573 372 H HA 0.447 5.003 4.556 -0.000 0.000 0.351 372 H C -0.253 174.790 175.328 -0.474 0.000 1.163 372 H CA -0.340 55.438 56.048 -0.451 0.000 1.205 372 H CB 1.903 31.093 29.762 -0.953 0.000 1.605 372 H HN 0.168 nan 8.280 nan 0.000 0.525 373 T N 3.271 117.692 114.554 -0.221 0.000 3.135 373 T HA 0.134 4.483 4.350 -0.000 0.000 0.357 373 T C -0.361 174.267 174.700 -0.120 0.000 1.112 373 T CA -0.569 61.427 62.100 -0.174 0.000 1.290 373 T CB 0.283 69.086 68.868 -0.108 0.000 1.018 373 T HN 0.176 nan 8.240 nan 0.000 0.527 374 L N 3.839 124.970 121.223 -0.152 0.000 2.292 374 L HA 0.779 5.118 4.340 -0.000 0.000 0.284 374 L C -0.973 175.913 176.870 0.026 0.000 1.065 374 L CA -0.681 54.137 54.840 -0.036 0.000 0.806 374 L CB 0.945 43.010 42.059 0.010 0.000 1.175 374 L HN 0.529 nan 8.230 nan 0.000 0.431 375 L N 4.815 126.067 121.223 0.048 0.000 2.381 375 L HA 0.778 5.118 4.340 -0.000 0.000 0.274 375 L C -0.727 176.163 176.870 0.033 0.000 0.988 375 L CA 0.150 55.025 54.840 0.059 0.000 0.824 375 L CB 2.030 44.138 42.059 0.081 0.000 1.263 375 L HN 0.801 nan 8.230 nan 0.000 0.410 376 T N 1.300 115.835 114.554 -0.031 0.000 2.921 376 T HA 0.942 5.292 4.350 -0.000 0.000 0.297 376 T C -0.372 174.135 174.700 -0.322 0.000 1.013 376 T CA -0.258 61.749 62.100 -0.156 0.000 0.990 376 T CB 1.609 70.449 68.868 -0.047 0.000 1.023 376 T HN 0.956 nan 8.240 nan 0.000 0.447 377 G N 0.789 109.117 108.800 -0.787 0.000 2.692 377 G HA2 0.618 4.578 3.960 -0.000 0.000 0.291 377 G HA3 0.618 4.578 3.960 -0.000 0.000 0.291 377 G C -1.779 172.781 174.900 -0.566 0.000 1.423 377 G CA -0.790 43.879 45.100 -0.719 0.000 0.843 377 G HN 0.874 nan 8.290 nan 0.000 0.486 378 V N 0.629 120.494 119.914 -0.082 0.000 2.495 378 V HA 0.620 4.740 4.120 -0.000 0.000 0.298 378 V C -1.118 175.157 176.094 0.301 0.000 1.031 378 V CA -0.470 61.929 62.300 0.165 0.000 0.871 378 V CB 1.839 33.785 31.823 0.205 0.000 0.988 378 V HN 0.806 nan 8.190 nan 0.000 0.432 379 D N 4.007 124.647 120.400 0.399 0.000 2.686 379 D HA 0.606 5.245 4.640 -0.000 0.000 0.249 379 D C -1.034 175.452 176.300 0.311 0.000 1.260 379 D CA -0.258 53.914 54.000 0.288 0.000 0.910 379 D CB 1.270 42.253 40.800 0.305 0.000 1.323 379 D HN 0.340 nan 8.370 nan 0.000 0.561 380 F N 1.661 121.677 119.950 0.111 0.000 2.599 380 F HA 0.845 5.372 4.527 -0.000 0.000 0.311 380 F C -1.270 174.552 175.800 0.037 0.000 1.076 380 F CA -1.318 56.741 58.000 0.100 0.000 0.937 380 F CB 1.395 40.459 39.000 0.108 0.000 1.282 380 F HN 0.195 nan 8.300 nan 0.000 0.460 381 M N 1.665 121.406 119.600 0.234 0.000 2.421 381 M HA 0.723 5.202 4.480 -0.000 0.000 0.287 381 M C -1.939 174.495 176.300 0.224 0.000 1.183 381 M CA -0.650 54.720 55.300 0.116 0.000 0.916 381 M CB 2.807 35.417 32.600 0.015 0.000 1.701 381 M HN 0.690 nan 8.290 nan 0.000 0.470 382 R N 2.756 123.402 120.500 0.243 0.000 2.514 382 R HA 0.859 5.199 4.340 -0.000 0.000 0.296 382 R C -1.427 174.996 176.300 0.204 0.000 1.012 382 R CA -0.505 55.743 56.100 0.247 0.000 0.897 382 R CB 2.171 32.666 30.300 0.325 0.000 1.184 382 R HN 1.002 nan 8.270 nan 0.000 0.440 383 M N 0.746 120.431 119.600 0.141 0.000 2.572 383 M HA 0.699 5.179 4.480 -0.000 0.000 0.299 383 M C -1.388 174.969 176.300 0.095 0.000 1.205 383 M CA -0.700 54.665 55.300 0.108 0.000 0.876 383 M CB 2.627 35.264 32.600 0.062 0.000 1.728 383 M HN 0.470 nan 8.290 nan 0.000 0.458 384 R N 0.825 121.377 120.500 0.086 0.000 2.510 384 R HA 0.531 4.871 4.340 -0.000 0.000 0.287 384 R C -2.033 174.306 176.300 0.064 0.000 1.084 384 R CA -0.716 55.428 56.100 0.074 0.000 0.934 384 R CB 1.002 31.350 30.300 0.080 0.000 1.201 384 R HN 0.937 nan 8.270 nan 0.000 0.431 385 N N 1.571 120.305 118.700 0.056 0.000 2.372 385 N HA 0.198 4.938 4.740 -0.000 0.000 0.291 385 N C -1.370 174.167 175.510 0.044 0.000 1.024 385 N CA -0.679 52.408 53.050 0.061 0.000 0.873 385 N CB 1.637 40.171 38.487 0.079 0.000 1.206 385 N HN 0.713 nan 8.380 nan 0.000 0.486 386 D N 3.960 124.390 120.400 0.050 0.000 2.460 386 D HA 0.334 4.974 4.640 -0.000 0.000 0.232 386 D C -0.565 175.761 176.300 0.042 0.000 1.079 386 D CA -0.372 53.648 54.000 0.033 0.000 0.864 386 D CB 0.603 41.426 40.800 0.038 0.000 1.048 386 D HN 0.384 nan 8.370 nan 0.000 0.523 387 I N 3.229 123.805 120.570 0.009 0.000 2.385 387 I HA 0.314 4.484 4.170 -0.000 0.000 0.294 387 I C 0.282 176.412 176.117 0.021 0.000 0.988 387 I CA -0.652 60.666 61.300 0.031 0.000 1.265 387 I CB 1.413 39.382 38.000 -0.052 0.000 1.388 387 I HN 0.369 nan 8.210 nan 0.000 0.480 388 N N 5.478 124.225 118.700 0.079 0.000 2.690 388 N HA 0.580 5.320 4.740 -0.000 0.000 0.255 388 N C -1.158 174.434 175.510 0.136 0.000 1.195 388 N CA -0.169 52.934 53.050 0.090 0.000 0.790 388 N CB 0.941 39.472 38.487 0.073 0.000 1.216 388 N HN 0.788 nan 8.380 nan 0.000 0.528 389 A N 2.203 125.139 122.820 0.193 0.000 2.392 389 A HA 0.710 5.030 4.320 -0.000 0.000 0.283 389 A C -1.761 175.969 177.584 0.243 0.000 1.197 389 A CA -0.615 51.518 52.037 0.159 0.000 0.895 389 A CB 1.424 20.505 19.000 0.135 0.000 1.400 389 A HN 0.614 nan 8.150 nan 0.000 0.461 390 W N 0.501 121.685 121.300 -0.193 0.000 3.423 390 W HA 0.533 5.193 4.660 -0.000 0.000 0.330 390 W C -2.844 173.460 176.519 -0.357 0.000 1.102 390 W CA -0.767 56.522 57.345 -0.092 0.000 1.261 390 W CB 1.371 30.848 29.460 0.028 0.000 1.283 390 W HN 0.524 nan 8.180 nan 0.000 0.447 391 F N 2.895 122.680 119.950 -0.275 0.000 2.480 391 F HA 0.678 5.205 4.527 -0.000 0.000 0.329 391 F C 1.076 176.352 175.800 -0.874 0.000 1.091 391 F CA -0.588 57.159 58.000 -0.421 0.000 0.972 391 F CB 1.759 40.598 39.000 -0.269 0.000 1.150 391 F HN 0.295 nan 8.300 nan 0.000 0.467 392 G N 1.661 109.955 108.800 -0.843 0.000 2.332 392 G HA2 0.465 4.425 3.960 -0.000 0.000 0.310 392 G HA3 0.465 4.425 3.960 -0.000 0.000 0.310 392 G C -1.251 173.319 174.900 -0.551 0.000 1.123 392 G CA -0.219 44.362 45.100 -0.865 0.000 0.873 392 G HN 0.451 nan 8.290 nan 0.000 0.460 393 Y N 0.656 120.914 120.300 -0.069 0.000 2.616 393 Y HA 0.347 4.897 4.550 -0.000 0.000 0.389 393 Y C 0.834 176.674 175.900 -0.100 0.000 1.342 393 Y CA -1.085 56.958 58.100 -0.095 0.000 1.625 393 Y CB -0.041 38.371 38.460 -0.080 0.000 1.685 393 Y HN 0.368 nan 8.280 nan 0.000 0.650 394 D N 0.962 121.411 120.400 0.082 0.000 2.478 394 D HA 0.001 4.641 4.640 -0.000 0.000 0.234 394 D C -0.337 175.993 176.300 0.050 0.000 1.154 394 D CA 1.068 55.068 54.000 0.001 0.000 0.874 394 D CB -0.048 40.757 40.800 0.008 0.000 1.198 394 D HN 0.439 nan 8.370 nan 0.000 0.455 395 D N 0.585 121.001 120.400 0.027 0.000 2.751 395 D HA -0.178 4.462 4.640 -0.000 0.000 0.233 395 D C 0.386 176.744 176.300 0.096 0.000 1.149 395 D CA 1.016 55.049 54.000 0.055 0.000 0.682 395 D CB -1.294 39.541 40.800 0.058 0.000 1.068 395 D HN 0.412 nan 8.370 nan 0.000 0.429 396 S N -1.675 114.091 115.700 0.111 0.000 2.575 396 S HA 0.284 4.754 4.470 -0.000 0.000 0.215 396 S C 0.642 175.407 174.600 0.274 0.000 0.966 396 S CA 0.214 58.549 58.200 0.226 0.000 0.911 396 S CB 1.478 64.835 63.200 0.262 0.000 0.780 396 S HN 0.396 nan 8.310 nan 0.000 0.514 397 V N 1.394 121.393 119.914 0.141 0.000 2.891 397 V HA 0.525 4.645 4.120 -0.000 0.000 0.304 397 V C -3.021 173.117 176.094 0.073 0.000 1.171 397 V CA -2.253 60.116 62.300 0.114 0.000 0.943 397 V CB 2.178 33.901 31.823 -0.166 0.000 1.037 397 V HN 0.048 nan 8.190 nan 0.000 0.427 398 P HA 0.100 nan 4.420 nan 0.000 0.264 398 P C 0.321 177.672 177.300 0.084 0.000 1.183 398 P CA 0.226 63.378 63.100 0.086 0.000 0.763 398 P CB 0.481 32.235 31.700 0.091 0.000 0.807 399 L N 2.325 123.613 121.223 0.108 0.000 2.489 399 L HA 0.052 4.392 4.340 -0.000 0.000 0.285 399 L C 1.029 177.992 176.870 0.154 0.000 1.259 399 L CA 0.205 55.136 54.840 0.151 0.000 0.828 399 L CB -0.180 42.023 42.059 0.241 0.000 1.094 399 L HN 0.359 nan 8.230 nan 0.000 0.524 400 L N 2.926 124.234 121.223 0.141 0.000 2.349 400 L HA 0.312 4.652 4.340 -0.000 0.000 0.278 400 L C -0.416 176.436 176.870 -0.030 0.000 0.996 400 L CA -0.315 54.581 54.840 0.094 0.000 0.825 400 L CB 1.388 43.529 42.059 0.136 0.000 1.243 400 L HN 0.614 nan 8.230 nan 0.000 0.412 401 N N 5.480 124.094 118.700 -0.143 0.000 2.402 401 N HA 0.085 4.825 4.740 -0.000 0.000 0.259 401 N C 1.204 176.618 175.510 -0.159 0.000 1.167 401 N CA -0.091 52.690 53.050 -0.449 0.000 0.949 401 N CB 0.696 38.971 38.487 -0.354 0.000 1.212 401 N HN 0.736 nan 8.380 nan 0.000 0.493 402 L N 3.280 124.400 121.223 -0.172 0.000 2.127 402 L HA -0.223 4.117 4.340 -0.000 0.000 0.211 402 L C 1.338 178.227 176.870 0.032 0.000 1.089 402 L CA 1.111 55.902 54.840 -0.083 0.000 0.757 402 L CB -0.422 41.539 42.059 -0.163 0.000 0.899 402 L HN 0.548 nan 8.230 nan 0.000 0.434 403 Y N -0.892 119.352 120.300 -0.093 0.000 2.293 403 Y HA -0.065 4.485 4.550 -0.000 0.000 0.291 403 Y C 1.593 177.453 175.900 -0.067 0.000 1.137 403 Y CA 0.499 58.517 58.100 -0.137 0.000 1.202 403 Y CB -0.224 38.067 38.460 -0.283 0.000 0.990 403 Y HN 0.242 nan 8.280 nan 0.000 0.537 404 N N 0.449 119.222 118.700 0.121 0.000 2.722 404 N HA 0.107 4.847 4.740 -0.000 0.000 0.242 404 N C -3.291 172.271 175.510 0.087 0.000 1.398 404 N CA -1.224 51.881 53.050 0.091 0.000 0.755 404 N CB 1.230 39.763 38.487 0.076 0.000 1.268 404 N HN -0.089 nan 8.380 nan 0.000 0.522 405 P HA 0.119 nan 4.420 nan 0.000 0.271 405 P C -0.605 176.754 177.300 0.099 0.000 1.216 405 P CA -0.162 63.029 63.100 0.152 0.000 0.776 405 P CB 1.544 33.430 31.700 0.310 0.000 0.881 406 V N 2.998 122.958 119.914 0.077 0.000 2.445 406 V HA 0.155 4.275 4.120 -0.000 0.000 0.283 406 V C -0.106 176.014 176.094 0.043 0.000 1.014 406 V CA -0.876 61.457 62.300 0.055 0.000 0.852 406 V CB 0.788 32.645 31.823 0.056 0.000 1.021 406 V HN 0.586 nan 8.190 nan 0.000 0.435 407 N N 2.801 121.516 118.700 0.025 0.000 2.411 407 N HA 0.517 5.257 4.740 -0.000 0.000 0.259 407 N C 0.001 175.531 175.510 0.033 0.000 1.103 407 N CA -0.304 52.757 53.050 0.018 0.000 0.954 407 N CB 1.227 39.710 38.487 -0.007 0.000 1.085 407 N HN 0.736 nan 8.380 nan 0.000 0.485 408 T N -1.895 112.686 114.554 0.045 0.000 2.831 408 T HA 0.445 4.795 4.350 -0.000 0.000 0.287 408 T C -0.691 174.051 174.700 0.069 0.000 1.070 408 T CA -1.008 61.122 62.100 0.049 0.000 1.010 408 T CB 1.057 69.951 68.868 0.043 0.000 1.264 408 T HN 0.228 nan 8.240 nan 0.000 0.532 409 D N 0.172 120.608 120.400 0.061 0.000 2.339 409 D HA 0.520 5.159 4.640 -0.000 0.000 0.245 409 D C -1.107 175.232 176.300 0.065 0.000 1.115 409 D CA -0.098 53.950 54.000 0.081 0.000 0.917 409 D CB 0.583 41.414 40.800 0.051 0.000 1.192 409 D HN 0.475 nan 8.370 nan 0.000 0.428 410 F N 0.910 120.762 119.950 -0.164 0.000 2.520 410 F HA 0.192 4.719 4.527 -0.000 0.000 0.322 410 F C -0.360 175.149 175.800 -0.485 0.000 1.103 410 F CA -1.035 56.714 58.000 -0.418 0.000 0.926 410 F CB 1.589 40.144 39.000 -0.741 0.000 1.154 410 F HN 0.019 nan 8.300 nan 0.000 0.453 411 D N 5.376 125.022 120.400 -1.256 0.000 2.435 411 D HA 0.070 4.710 4.640 -0.000 0.000 0.230 411 D C 0.670 176.332 176.300 -1.063 0.000 1.215 411 D CA 0.219 53.702 54.000 -0.862 0.000 0.947 411 D CB -0.014 40.400 40.800 -0.644 0.000 1.048 411 D HN 0.487 nan 8.370 nan 0.000 0.512 412 F N 1.802 121.506 119.950 -0.410 0.000 2.502 412 F HA -0.024 4.503 4.527 -0.000 0.000 0.298 412 F C 2.163 177.805 175.800 -0.262 0.000 1.111 412 F CA 0.230 58.091 58.000 -0.233 0.000 1.445 412 F CB 0.019 39.006 39.000 -0.022 0.000 1.081 412 F HN 0.320 nan 8.300 nan 0.000 0.558 413 N N 0.454 119.076 118.700 -0.130 0.000 2.278 413 N HA 0.071 4.811 4.740 -0.000 0.000 0.181 413 N C 0.967 176.338 175.510 -0.232 0.000 1.023 413 N CA 0.685 53.633 53.050 -0.170 0.000 0.862 413 N CB -0.353 38.057 38.487 -0.128 0.000 1.003 413 N HN 0.046 nan 8.380 nan 0.000 0.431 414 A N 2.833 125.501 122.820 -0.252 0.000 2.535 414 A HA 0.011 4.331 4.320 -0.000 0.000 0.290 414 A C 0.337 177.811 177.584 -0.184 0.000 1.270 414 A CA 0.183 52.093 52.037 -0.212 0.000 0.937 414 A CB -0.616 18.243 19.000 -0.235 0.000 1.096 414 A HN 0.232 nan 8.150 nan 0.000 0.534 415 K N 3.761 124.079 120.400 -0.138 0.000 2.540 415 K HA 0.212 4.532 4.320 -0.000 0.000 0.218 415 K C -1.379 175.329 176.600 0.180 0.000 1.017 415 K CA -0.557 55.734 56.287 0.006 0.000 1.029 415 K CB 0.944 33.227 32.500 -0.362 0.000 1.348 415 K HN 0.704 nan 8.250 nan 0.000 0.508 416 D N 2.657 123.177 120.400 0.200 0.000 2.256 416 D HA 0.110 4.749 4.640 -0.000 0.000 0.250 416 D C -1.924 174.550 176.300 0.291 0.000 1.093 416 D CA -1.736 52.389 54.000 0.209 0.000 0.882 416 D CB 1.849 42.726 40.800 0.129 0.000 1.185 416 D HN 0.099 nan 8.370 nan 0.000 0.437 417 P HA -0.121 nan 4.420 nan 0.000 0.227 417 P C 1.085 178.509 177.300 0.207 0.000 1.145 417 P CA 1.040 64.291 63.100 0.252 0.000 0.769 417 P CB 0.127 31.944 31.700 0.195 0.000 0.769 418 A N 0.697 123.628 122.820 0.185 0.000 1.929 418 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 418 A C 1.604 179.303 177.584 0.192 0.000 1.176 418 A CA 1.856 53.985 52.037 0.153 0.000 0.628 418 A CB -0.867 18.205 19.000 0.120 0.000 0.816 418 A HN 0.354 nan 8.150 nan 0.000 0.444 419 N N -1.746 117.098 118.700 0.241 0.000 2.143 419 N HA 0.140 4.879 4.740 -0.000 0.000 0.229 419 N C -0.341 175.309 175.510 0.234 0.000 1.294 419 N CA 0.530 53.746 53.050 0.278 0.000 0.883 419 N CB 0.331 38.946 38.487 0.213 0.000 1.148 419 N HN 0.268 nan 8.380 nan 0.000 0.511 420 S N -1.854 113.977 115.700 0.219 0.000 2.537 420 S HA 0.879 5.349 4.470 -0.000 0.000 0.270 420 S C -0.433 174.121 174.600 -0.076 0.000 1.142 420 S CA -0.556 57.563 58.200 -0.135 0.000 0.870 420 S CB 1.812 65.205 63.200 0.320 0.000 1.112 420 S HN 0.318 nan 8.310 nan 0.000 0.466 421 G N 0.853 109.331 108.800 -0.537 0.000 2.680 421 G HA2 0.851 4.811 3.960 -0.000 0.000 0.290 421 G HA3 0.851 4.811 3.960 -0.000 0.000 0.290 421 G C -3.359 170.803 174.900 -1.231 0.000 1.355 421 G CA -1.887 42.859 45.100 -0.589 0.000 0.903 421 G HN 0.603 nan 8.290 nan 0.000 0.474 422 P HA 0.351 nan 4.420 nan 0.000 0.281 422 P C -1.869 175.436 177.300 0.008 0.000 1.264 422 P CA -0.546 62.241 63.100 -0.522 0.000 0.824 422 P CB 1.792 33.383 31.700 -0.181 0.000 1.092 423 Y N 0.984 121.308 120.300 0.039 0.000 2.400 423 Y HA 0.365 4.915 4.550 -0.000 0.000 0.335 423 Y C -0.687 175.263 175.900 0.082 0.000 1.066 423 Y CA -0.542 57.630 58.100 0.120 0.000 1.285 423 Y CB 1.101 39.788 38.460 0.379 0.000 1.103 423 Y HN 0.203 nan 8.280 nan 0.000 0.490 424 R N 7.109 127.455 120.500 -0.258 0.000 2.358 424 R HA 0.556 4.895 4.340 -0.000 0.000 0.309 424 R C -1.382 174.726 176.300 -0.320 0.000 1.026 424 R CA -0.655 55.322 56.100 -0.204 0.000 0.909 424 R CB 1.332 31.602 30.300 -0.050 0.000 1.153 424 R HN 0.402 nan 8.270 nan 0.000 0.515 425 I N 3.381 123.725 120.570 -0.378 0.000 2.740 425 I HA 0.449 4.619 4.170 -0.000 0.000 0.303 425 I C -0.335 175.683 176.117 -0.164 0.000 1.044 425 I CA -1.176 59.933 61.300 -0.318 0.000 1.064 425 I CB 2.084 39.804 38.000 -0.467 0.000 1.249 425 I HN 0.504 nan 8.210 nan 0.000 0.433 426 L N 4.617 125.776 121.223 -0.106 0.000 2.377 426 L HA 0.503 4.843 4.340 -0.000 0.000 0.270 426 L C -1.130 175.721 176.870 -0.031 0.000 0.991 426 L CA -0.254 54.557 54.840 -0.048 0.000 0.851 426 L CB 0.801 42.846 42.059 -0.024 0.000 1.218 426 L HN 0.490 nan 8.230 nan 0.000 0.420 427 N N 4.090 122.781 118.700 -0.015 0.000 2.438 427 N HA 0.449 5.188 4.740 -0.000 0.000 0.282 427 N C -1.313 174.216 175.510 0.032 0.000 1.037 427 N CA -0.376 52.678 53.050 0.008 0.000 0.942 427 N CB 1.494 39.991 38.487 0.016 0.000 1.136 427 N HN 0.446 nan 8.380 nan 0.000 0.481 428 K N 1.890 122.314 120.400 0.039 0.000 2.426 428 K HA 0.382 4.701 4.320 -0.000 0.000 0.254 428 K C -0.824 175.815 176.600 0.065 0.000 0.936 428 K CA -0.616 55.705 56.287 0.056 0.000 0.801 428 K CB 1.964 34.497 32.500 0.055 0.000 1.139 428 K HN 0.449 nan 8.250 nan 0.000 0.424 429 Q N 1.593 121.438 119.800 0.076 0.000 2.399 429 Q HA 0.490 4.830 4.340 -0.000 0.000 0.276 429 Q C -1.289 174.775 176.000 0.107 0.000 1.098 429 Q CA -0.950 54.903 55.803 0.084 0.000 0.827 429 Q CB 2.848 31.627 28.738 0.068 0.000 1.386 429 Q HN 0.286 nan 8.270 nan 0.000 0.443 430 K N 1.420 121.894 120.400 0.123 0.000 2.557 430 K HA 0.275 4.595 4.320 -0.000 0.000 0.257 430 K C -2.072 174.636 176.600 0.181 0.000 0.933 430 K CA -0.324 56.055 56.287 0.154 0.000 0.820 430 K CB 2.186 34.774 32.500 0.147 0.000 1.330 430 K HN 0.639 nan 8.250 nan 0.000 0.432 431 Q N 2.371 122.299 119.800 0.214 0.000 2.281 431 Q HA 0.367 4.706 4.340 -0.000 0.000 0.263 431 Q C -1.838 174.351 176.000 0.315 0.000 0.989 431 Q CA -0.498 55.456 55.803 0.251 0.000 0.852 431 Q CB 2.368 31.230 28.738 0.207 0.000 1.337 431 Q HN 0.592 nan 8.270 nan 0.000 0.418 432 T N 1.842 116.623 114.554 0.378 0.000 2.848 432 T HA 0.807 5.157 4.350 -0.000 0.000 0.285 432 T C -0.645 174.378 174.700 0.537 0.000 0.995 432 T CA -0.531 61.831 62.100 0.436 0.000 0.970 432 T CB 1.568 70.633 68.868 0.328 0.000 0.976 432 T HN 0.662 nan 8.240 nan 0.000 0.441 433 G N 0.953 110.046 108.800 0.487 0.000 2.659 433 G HA2 0.649 4.609 3.960 -0.000 0.000 0.296 433 G HA3 0.649 4.609 3.960 -0.000 0.000 0.296 433 G C -1.608 173.588 174.900 0.493 0.000 1.369 433 G CA -0.585 44.799 45.100 0.473 0.000 0.937 433 G HN 0.697 nan 8.290 nan 0.000 0.485 434 V N 1.332 121.532 119.914 0.478 0.000 2.604 434 V HA 0.750 4.870 4.120 -0.000 0.000 0.305 434 V C -0.928 175.380 176.094 0.357 0.000 1.043 434 V CA -0.736 61.780 62.300 0.360 0.000 0.888 434 V CB 1.011 33.046 31.823 0.353 0.000 0.995 434 V HN 0.872 nan 8.190 nan 0.000 0.429 435 Y N 2.615 122.998 120.300 0.138 0.000 2.562 435 Y HA 0.891 5.440 4.550 -0.000 0.000 0.345 435 Y C -1.191 174.760 175.900 0.085 0.000 1.045 435 Y CA -1.552 56.603 58.100 0.093 0.000 1.028 435 Y CB 1.912 40.389 38.460 0.028 0.000 1.297 435 Y HN 0.459 nan 8.280 nan 0.000 0.463 436 V N 2.916 122.949 119.914 0.200 0.000 2.841 436 V HA 0.692 4.812 4.120 -0.000 0.000 0.310 436 V C -1.600 174.593 176.094 0.165 0.000 1.090 436 V CA -0.327 62.049 62.300 0.127 0.000 0.930 436 V CB 1.971 33.860 31.823 0.109 0.000 1.014 436 V HN 1.059 nan 8.190 nan 0.000 0.425 437 Q N 3.964 123.843 119.800 0.132 0.000 2.320 437 Q HA 0.419 4.759 4.340 -0.000 0.000 0.272 437 Q C -2.291 173.759 176.000 0.083 0.000 1.023 437 Q CA -0.615 55.256 55.803 0.114 0.000 0.855 437 Q CB 2.302 31.103 28.738 0.105 0.000 1.367 437 Q HN 0.864 nan 8.270 nan 0.000 0.406 438 D N 2.534 122.984 120.400 0.082 0.000 2.619 438 D HA 0.267 4.906 4.640 -0.000 0.000 0.241 438 D C -1.265 175.067 176.300 0.053 0.000 1.087 438 D CA -0.224 53.819 54.000 0.072 0.000 0.851 438 D CB 2.097 42.968 40.800 0.119 0.000 1.474 438 D HN 0.620 nan 8.370 nan 0.000 0.478 439 Q N 1.534 121.344 119.800 0.016 0.000 2.700 439 Q HA 0.494 4.833 4.340 -0.000 0.000 0.249 439 Q C -0.748 175.218 176.000 -0.057 0.000 1.033 439 Q CA -0.686 55.106 55.803 -0.018 0.000 0.804 439 Q CB 1.631 30.343 28.738 -0.042 0.000 1.164 439 Q HN 0.427 nan 8.270 nan 0.000 0.500 440 A N 2.380 125.174 122.820 -0.043 0.000 2.362 440 A HA 0.328 4.648 4.320 -0.000 0.000 0.276 440 A C -0.467 177.053 177.584 -0.108 0.000 1.153 440 A CA -0.120 51.817 52.037 -0.167 0.000 0.813 440 A CB 0.636 19.578 19.000 -0.097 0.000 1.081 440 A HN 0.607 nan 8.150 nan 0.000 0.507 441 Q N 2.037 121.750 119.800 -0.145 0.000 2.310 441 Q HA 0.452 4.792 4.340 -0.000 0.000 0.270 441 Q C -1.889 174.123 176.000 0.021 0.000 1.025 441 Q CA -0.517 55.252 55.803 -0.056 0.000 0.772 441 Q CB 1.480 30.162 28.738 -0.094 0.000 1.253 441 Q HN 0.790 nan 8.270 nan 0.000 0.450 442 W N 7.477 128.718 121.300 -0.099 0.000 2.362 442 W HA 0.333 4.993 4.660 -0.000 0.000 0.316 442 W C 0.045 176.520 176.519 -0.074 0.000 1.024 442 W CA -0.181 57.120 57.345 -0.073 0.000 1.270 442 W CB 0.629 30.066 29.460 -0.038 0.000 1.273 442 W HN 0.943 nan 8.180 nan 0.000 0.424 443 D N 2.903 122.893 120.400 -0.683 0.000 4.259 443 D HA -0.337 4.303 4.640 -0.000 0.000 0.150 443 D C 0.648 176.642 176.300 -0.511 0.000 0.731 443 D CA 2.275 55.835 54.000 -0.733 0.000 1.138 443 D CB -0.557 39.496 40.800 -1.246 0.000 0.540 443 D HN 0.643 nan 8.370 nan 0.000 0.507 444 K N -0.202 119.841 120.400 -0.595 0.000 2.414 444 K HA 0.353 4.673 4.320 -0.000 0.000 0.204 444 K C -0.371 175.872 176.600 -0.594 0.000 1.026 444 K CA -0.142 55.798 56.287 -0.579 0.000 1.108 444 K CB 1.570 33.625 32.500 -0.740 0.000 0.855 444 K HN 0.020 nan 8.250 nan 0.000 0.517 445 V N 2.022 121.752 119.914 -0.306 0.000 2.472 445 V HA 0.331 4.450 4.120 -0.000 0.000 0.290 445 V C -0.813 175.283 176.094 0.004 0.000 1.037 445 V CA -0.954 61.327 62.300 -0.032 0.000 0.908 445 V CB 1.659 33.655 31.823 0.288 0.000 0.985 445 V HN 0.048 nan 8.190 nan 0.000 0.454 446 L N 5.945 127.181 121.223 0.021 0.000 2.381 446 L HA 0.712 5.052 4.340 -0.000 0.000 0.274 446 L C -0.757 176.127 176.870 0.023 0.000 0.988 446 L CA -0.164 54.677 54.840 0.002 0.000 0.824 446 L CB 1.991 44.027 42.059 -0.039 0.000 1.263 446 L HN 0.418 nan 8.230 nan 0.000 0.410 447 V N 3.886 123.815 119.914 0.025 0.000 2.378 447 V HA 0.525 4.645 4.120 -0.000 0.000 0.288 447 V C -0.070 176.038 176.094 0.023 0.000 1.016 447 V CA -0.440 61.878 62.300 0.031 0.000 0.840 447 V CB 1.782 33.647 31.823 0.070 0.000 0.994 447 V HN 0.824 nan 8.190 nan 0.000 0.431 448 T N 7.083 121.644 114.554 0.010 0.000 2.743 448 T HA 0.551 4.900 4.350 -0.000 0.000 0.292 448 T C -0.705 174.039 174.700 0.073 0.000 0.972 448 T CA -0.248 61.865 62.100 0.020 0.000 0.967 448 T CB 0.778 69.635 68.868 -0.018 0.000 0.926 448 T HN 0.292 nan 8.240 nan 0.000 0.459 449 L N 3.331 124.616 121.223 0.103 0.000 2.436 449 L HA 0.852 5.192 4.340 -0.000 0.000 0.268 449 L C -0.189 176.778 176.870 0.162 0.000 0.974 449 L CA -0.067 54.874 54.840 0.168 0.000 0.826 449 L CB 1.364 43.521 42.059 0.164 0.000 1.291 449 L HN 0.845 nan 8.230 nan 0.000 0.406 450 G N 2.032 110.959 108.800 0.212 0.000 2.673 450 G HA2 0.692 4.652 3.960 -0.000 0.000 0.292 450 G HA3 0.692 4.652 3.960 -0.000 0.000 0.292 450 G C -1.394 173.642 174.900 0.226 0.000 1.450 450 G CA -0.068 45.141 45.100 0.182 0.000 0.837 450 G HN 0.913 nan 8.290 nan 0.000 0.505 451 G N -0.831 108.083 108.800 0.190 0.000 2.690 451 G HA2 0.788 4.748 3.960 -0.000 0.000 0.291 451 G HA3 0.788 4.748 3.960 -0.000 0.000 0.291 451 G C -1.351 173.587 174.900 0.063 0.000 1.403 451 G CA -0.763 44.405 45.100 0.113 0.000 0.864 451 G HN 0.729 nan 8.290 nan 0.000 0.480 452 R N -0.469 119.927 120.500 -0.174 0.000 2.668 452 R HA 0.565 4.905 4.340 -0.000 0.000 0.272 452 R C -2.301 173.961 176.300 -0.063 0.000 1.019 452 R CA -0.865 55.237 56.100 0.003 0.000 0.894 452 R CB 2.130 32.435 30.300 0.008 0.000 1.228 452 R HN 0.563 nan 8.270 nan 0.000 0.460 453 Y N 2.483 122.783 120.300 0.001 0.000 2.350 453 Y HA 0.431 4.981 4.550 -0.000 0.000 0.338 453 Y C -1.209 174.539 175.900 -0.254 0.000 0.961 453 Y CA -0.487 57.538 58.100 -0.124 0.000 1.100 453 Y CB 1.766 40.145 38.460 -0.135 0.000 1.179 453 Y HN 0.580 nan 8.280 nan 0.000 0.454 454 D N 5.290 125.208 120.400 -0.803 0.000 2.498 454 D HA 0.184 4.824 4.640 -0.000 0.000 0.247 454 D C -1.175 174.791 176.300 -0.558 0.000 1.070 454 D CA -0.211 53.541 54.000 -0.413 0.000 0.842 454 D CB 1.584 42.334 40.800 -0.084 0.000 1.361 454 D HN 0.573 nan 8.370 nan 0.000 0.484 455 W N 1.557 122.866 121.300 0.016 0.000 2.299 455 W HA 0.486 5.146 4.660 -0.000 0.000 0.319 455 W C -0.482 176.092 176.519 0.092 0.000 1.008 455 W CA -0.812 56.564 57.345 0.053 0.000 1.384 455 W CB 1.417 30.950 29.460 0.121 0.000 1.220 455 W HN 0.279 nan 8.180 nan 0.000 0.402 456 A N 3.930 126.893 122.820 0.238 0.000 2.316 456 A HA 0.471 4.791 4.320 -0.000 0.000 0.324 456 A C -0.409 177.290 177.584 0.192 0.000 1.375 456 A CA -0.446 51.730 52.037 0.233 0.000 0.882 456 A CB 0.455 19.621 19.000 0.277 0.000 1.152 456 A HN 0.397 nan 8.150 nan 0.000 0.512 457 D N 1.838 122.346 120.400 0.179 0.000 2.198 457 D HA 0.524 5.164 4.640 -0.000 0.000 0.247 457 D C -0.064 176.306 176.300 0.117 0.000 1.010 457 D CA -0.005 54.078 54.000 0.140 0.000 0.880 457 D CB 1.642 42.520 40.800 0.130 0.000 1.209 457 D HN 0.744 nan 8.370 nan 0.000 0.451 458 Q N -0.567 119.290 119.800 0.096 0.000 2.418 458 Q HA 0.606 4.946 4.340 -0.000 0.000 0.282 458 Q C -1.570 174.468 176.000 0.062 0.000 1.044 458 Q CA -1.017 54.834 55.803 0.079 0.000 0.813 458 Q CB 2.806 31.591 28.738 0.078 0.000 1.428 458 Q HN 0.464 nan 8.270 nan 0.000 0.402 459 E N 0.507 120.738 120.200 0.051 0.000 2.335 459 E HA 0.529 4.878 4.350 -0.000 0.000 0.280 459 E C -1.714 174.900 176.600 0.023 0.000 0.918 459 E CA -0.838 55.583 56.400 0.036 0.000 0.765 459 E CB 2.249 31.971 29.700 0.036 0.000 1.218 459 E HN 0.465 nan 8.360 nan 0.000 0.425 460 S N 3.806 119.512 115.700 0.010 0.000 2.519 460 S HA 0.413 4.883 4.470 -0.000 0.000 0.309 460 S C -0.996 173.590 174.600 -0.022 0.000 1.100 460 S CA -0.873 57.321 58.200 -0.010 0.000 1.059 460 S CB 1.043 64.235 63.200 -0.013 0.000 1.008 460 S HN 0.572 nan 8.310 nan 0.000 0.478 461 L N 5.858 127.059 121.223 -0.036 0.000 2.294 461 L HA 0.528 4.868 4.340 -0.000 0.000 0.283 461 L C -0.616 176.211 176.870 -0.072 0.000 1.015 461 L CA -0.449 54.368 54.840 -0.039 0.000 0.831 461 L CB 1.002 43.047 42.059 -0.023 0.000 1.217 461 L HN 0.703 nan 8.230 nan 0.000 0.420 462 N N 4.935 123.591 118.700 -0.074 0.000 2.406 462 N HA 0.178 4.918 4.740 -0.000 0.000 0.251 462 N C 0.881 176.348 175.510 -0.073 0.000 1.069 462 N CA -0.115 52.872 53.050 -0.106 0.000 0.947 462 N CB 1.010 39.445 38.487 -0.087 0.000 1.111 462 N HN 0.662 nan 8.380 nan 0.000 0.497 463 R N 2.289 122.741 120.500 -0.080 0.000 2.115 463 R HA -0.013 4.327 4.340 -0.000 0.000 0.226 463 R C 1.588 177.874 176.300 -0.024 0.000 1.100 463 R CA 0.781 56.856 56.100 -0.042 0.000 0.980 463 R CB 0.028 30.307 30.300 -0.034 0.000 0.875 463 R HN 0.355 nan 8.270 nan 0.000 0.445 464 V N 1.066 120.961 119.914 -0.033 0.000 2.270 464 V HA -0.166 3.954 4.120 -0.000 0.000 0.245 464 V C 2.317 178.408 176.094 -0.005 0.000 1.043 464 V CA 2.083 64.378 62.300 -0.008 0.000 1.014 464 V CB -0.568 31.249 31.823 -0.010 0.000 0.645 464 V HN 0.356 nan 8.190 nan 0.000 0.447 465 A N -0.856 121.955 122.820 -0.015 0.000 2.169 465 A HA 0.359 4.679 4.320 -0.000 0.000 0.212 465 A C 2.097 179.678 177.584 -0.005 0.000 1.153 465 A CA 1.176 53.209 52.037 -0.007 0.000 0.756 465 A CB -0.476 18.520 19.000 -0.007 0.000 0.813 465 A HN 1.210 nan 8.150 nan 0.000 0.471 466 G N -0.557 108.237 108.800 -0.010 0.000 2.184 466 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.264 466 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.264 466 G C 0.737 175.633 174.900 -0.007 0.000 0.975 466 G CA 1.418 46.514 45.100 -0.006 0.000 0.642 466 G HN 1.544 nan 8.290 nan 0.000 0.536 467 T N -1.366 113.182 114.554 -0.009 0.000 2.788 467 T HA 0.588 4.938 4.350 -0.000 0.000 0.287 467 T C 0.053 174.747 174.700 -0.010 0.000 1.007 467 T CA 0.993 63.089 62.100 -0.006 0.000 1.005 467 T CB 1.694 70.560 68.868 -0.003 0.000 1.012 467 T HN 0.600 nan 8.240 nan 0.000 0.530 468 T N 2.595 117.146 114.554 -0.004 0.000 3.170 468 T HA 0.344 4.694 4.350 -0.000 0.000 0.315 468 T C -1.668 173.033 174.700 0.002 0.000 0.967 468 T CA -0.810 61.288 62.100 -0.003 0.000 1.024 468 T CB 1.000 69.869 68.868 0.001 0.000 1.018 468 T HN 0.685 nan 8.240 nan 0.000 0.449 469 D N 3.585 123.986 120.400 0.001 0.000 2.168 469 D HA 0.509 5.149 4.640 -0.000 0.000 0.246 469 D C -0.013 176.296 176.300 0.014 0.000 1.050 469 D CA -0.528 53.475 54.000 0.005 0.000 0.857 469 D CB 2.052 42.852 40.800 -0.000 0.000 1.169 469 D HN 0.606 nan 8.370 nan 0.000 0.453 470 K N 0.197 120.609 120.400 0.020 0.000 2.536 470 K HA 0.768 5.087 4.320 -0.000 0.000 0.269 470 K C -1.039 175.585 176.600 0.039 0.000 0.965 470 K CA -1.162 55.145 56.287 0.032 0.000 0.860 470 K CB 2.921 35.442 32.500 0.035 0.000 1.423 470 K HN 0.302 nan 8.250 nan 0.000 0.438 471 R N 1.109 121.642 120.500 0.054 0.000 2.561 471 R HA 0.272 4.612 4.340 -0.000 0.000 0.266 471 R C -1.902 174.449 176.300 0.084 0.000 1.091 471 R CA -0.428 55.710 56.100 0.064 0.000 0.927 471 R CB 1.766 32.104 30.300 0.063 0.000 1.240 471 R HN 0.757 nan 8.270 nan 0.000 0.449 472 D N 3.054 123.508 120.400 0.091 0.000 2.453 472 D HA 0.268 4.908 4.640 -0.000 0.000 0.238 472 D C -1.028 175.339 176.300 0.111 0.000 1.088 472 D CA -0.238 53.831 54.000 0.115 0.000 0.854 472 D CB 1.603 42.477 40.800 0.123 0.000 1.076 472 D HN 0.389 nan 8.370 nan 0.000 0.533 473 D N 1.220 121.684 120.400 0.107 0.000 2.229 473 D HA 0.353 4.993 4.640 -0.000 0.000 0.249 473 D C 0.059 176.343 176.300 -0.026 0.000 1.027 473 D CA -0.229 53.801 54.000 0.050 0.000 0.923 473 D CB 1.858 42.697 40.800 0.066 0.000 1.174 473 D HN 0.096 nan 8.370 nan 0.000 0.443 474 K N 1.961 122.272 120.400 -0.147 0.000 2.578 474 K HA 0.299 4.619 4.320 -0.000 0.000 0.250 474 K C -0.688 175.597 176.600 -0.525 0.000 0.955 474 K CA -0.754 55.313 56.287 -0.367 0.000 0.825 474 K CB 2.114 34.544 32.500 -0.118 0.000 1.151 474 K HN 0.207 nan 8.250 nan 0.000 0.432 475 Q N 2.068 121.327 119.800 -0.901 0.000 2.389 475 Q HA 0.423 4.763 4.340 -0.000 0.000 0.277 475 Q C -1.554 173.974 176.000 -0.787 0.000 1.082 475 Q CA -0.755 54.548 55.803 -0.834 0.000 0.810 475 Q CB 2.682 30.607 28.738 -1.356 0.000 1.374 475 Q HN 0.548 nan 8.270 nan 0.000 0.422 476 F N 1.365 121.046 119.950 -0.448 0.000 2.520 476 F HA 0.651 5.178 4.527 -0.000 0.000 0.322 476 F C -0.628 175.154 175.800 -0.030 0.000 1.103 476 F CA -0.234 57.671 58.000 -0.159 0.000 0.926 476 F CB 1.702 40.767 39.000 0.108 0.000 1.154 476 F HN 0.482 nan 8.300 nan 0.000 0.453 477 T N 3.087 117.153 114.554 -0.813 0.000 2.900 477 T HA 0.692 5.042 4.350 -0.000 0.000 0.303 477 T C -1.400 173.009 174.700 -0.484 0.000 1.142 477 T CA -0.712 61.133 62.100 -0.425 0.000 1.007 477 T CB 1.983 70.722 68.868 -0.215 0.000 1.156 477 T HN 0.901 nan 8.240 nan 0.000 0.490 478 W N 0.946 122.044 121.300 -0.336 0.000 3.025 478 W HA 0.799 5.459 4.660 -0.000 0.000 0.343 478 W C -1.896 174.563 176.519 -0.100 0.000 1.246 478 W CA -1.165 56.068 57.345 -0.187 0.000 1.178 478 W CB 1.463 30.927 29.460 0.008 0.000 1.463 478 W HN 1.096 nan 8.180 nan 0.000 0.578 479 R N 1.093 121.593 120.500 -0.001 0.000 2.651 479 R HA 0.656 4.996 4.340 -0.000 0.000 0.278 479 R C -1.108 175.262 176.300 0.116 0.000 1.010 479 R CA -0.350 55.617 56.100 -0.222 0.000 0.896 479 R CB 1.938 32.122 30.300 -0.194 0.000 1.211 479 R HN 0.915 nan 8.270 nan 0.000 0.456 480 G N 0.560 109.388 108.800 0.047 0.000 2.667 480 G HA2 0.707 4.667 3.960 -0.000 0.000 0.298 480 G HA3 0.707 4.667 3.960 -0.000 0.000 0.298 480 G C -1.327 173.612 174.900 0.065 0.000 1.377 480 G CA -0.545 44.695 45.100 0.233 0.000 0.964 480 G HN 0.793 nan 8.290 nan 0.000 0.493 481 G N -1.237 107.547 108.800 -0.027 0.000 2.632 481 G HA2 0.634 4.594 3.960 -0.000 0.000 0.292 481 G HA3 0.634 4.594 3.960 -0.000 0.000 0.292 481 G C -1.872 172.834 174.900 -0.323 0.000 1.465 481 G CA -0.412 44.535 45.100 -0.255 0.000 0.824 481 G HN 1.086 nan 8.290 nan 0.000 0.509 482 V N 0.620 120.159 119.914 -0.624 0.000 2.680 482 V HA 0.613 4.732 4.120 -0.000 0.000 0.309 482 V C -0.702 175.363 176.094 -0.048 0.000 1.052 482 V CA -1.051 61.075 62.300 -0.290 0.000 0.908 482 V CB 2.140 33.833 31.823 -0.216 0.000 1.001 482 V HN 0.712 nan 8.190 nan 0.000 0.431 483 N N 1.972 120.714 118.700 0.070 0.000 2.296 483 N HA 0.533 5.273 4.740 -0.000 0.000 0.294 483 N C -1.657 173.964 175.510 0.186 0.000 1.033 483 N CA -0.498 52.644 53.050 0.153 0.000 0.839 483 N CB 1.972 40.489 38.487 0.049 0.000 1.395 483 N HN 0.720 nan 8.380 nan 0.000 0.479 484 Y N 2.350 122.740 120.300 0.151 0.000 2.345 484 Y HA 0.436 4.986 4.550 -0.000 0.000 0.331 484 Y C -1.129 174.833 175.900 0.102 0.000 0.959 484 Y CA -0.937 57.213 58.100 0.082 0.000 1.204 484 Y CB 0.718 39.233 38.460 0.093 0.000 1.135 484 Y HN 0.405 nan 8.280 nan 0.000 0.477 485 L N 8.004 128.978 121.223 -0.414 0.000 2.387 485 L HA 0.236 4.576 4.340 -0.000 0.000 0.267 485 L C -0.629 176.121 176.870 -0.199 0.000 1.197 485 L CA -0.084 54.638 54.840 -0.197 0.000 1.070 485 L CB -1.538 40.399 42.059 -0.203 0.000 1.349 485 L HN 0.456 nan 8.230 nan 0.000 0.422 486 F N 0.748 120.696 119.950 -0.004 0.000 2.545 486 F HA -0.022 4.505 4.527 -0.000 0.000 0.348 486 F C 1.704 177.515 175.800 0.018 0.000 1.163 486 F CA 0.348 58.386 58.000 0.063 0.000 1.331 486 F CB 0.379 39.467 39.000 0.146 0.000 1.138 486 F HN 0.393 nan 8.300 nan 0.000 0.602 487 D N 0.645 121.154 120.400 0.181 0.000 2.363 487 D HA -0.093 4.547 4.640 -0.000 0.000 0.226 487 D C 1.498 177.874 176.300 0.127 0.000 1.020 487 D CA 0.580 54.640 54.000 0.099 0.000 0.892 487 D CB -0.231 40.599 40.800 0.051 0.000 0.900 487 D HN 0.468 nan 8.370 nan 0.000 0.531 488 N N -0.945 117.869 118.700 0.190 0.000 2.254 488 N HA 0.048 4.787 4.740 -0.000 0.000 0.190 488 N C 1.400 177.073 175.510 0.272 0.000 1.107 488 N CA 0.952 54.111 53.050 0.180 0.000 0.869 488 N CB 0.890 39.459 38.487 0.136 0.000 0.983 488 N HN 0.138 nan 8.380 nan 0.000 0.487 489 G N -0.046 108.915 108.800 0.268 0.000 2.352 489 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.204 489 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.204 489 G C -0.353 174.778 174.900 0.385 0.000 1.004 489 G CA -0.013 45.267 45.100 0.300 0.000 0.648 489 G HN 0.206 nan 8.290 nan 0.000 0.491 490 V N 2.707 122.815 119.914 0.324 0.000 2.458 490 V HA 0.417 4.537 4.120 -0.000 0.000 0.287 490 V C 0.479 176.749 176.094 0.294 0.000 1.009 490 V CA 1.460 63.870 62.300 0.183 0.000 1.091 490 V CB 0.995 32.724 31.823 -0.156 0.000 0.960 490 V HN 0.339 nan 8.190 nan 0.000 0.476 491 T N 8.335 123.065 114.554 0.294 0.000 3.155 491 T HA 0.300 4.649 4.350 -0.000 0.000 0.384 491 T C -2.342 172.587 174.700 0.383 0.000 1.351 491 T CA -0.887 61.421 62.100 0.348 0.000 1.198 491 T CB 1.142 70.150 68.868 0.232 0.000 1.106 491 T HN 0.508 nan 8.240 nan 0.000 0.564 492 P HA 0.310 nan 4.420 nan 0.000 0.272 492 P C -1.106 176.457 177.300 0.438 0.000 1.240 492 P CA -0.177 63.131 63.100 0.346 0.000 0.791 492 P CB 0.682 32.572 31.700 0.317 0.000 0.978 493 Y N -1.074 119.365 120.300 0.231 0.000 2.774 493 Y HA 0.694 5.244 4.550 -0.000 0.000 0.346 493 Y C -1.901 174.163 175.900 0.273 0.000 1.222 493 Y CA -1.576 56.641 58.100 0.195 0.000 1.088 493 Y CB 0.606 39.125 38.460 0.098 0.000 1.354 493 Y HN 0.514 nan 8.280 nan 0.000 0.455 494 F N 0.322 120.414 119.950 0.237 0.000 2.713 494 F HA 0.913 5.440 4.527 -0.000 0.000 0.311 494 F C -1.302 174.659 175.800 0.270 0.000 1.141 494 F CA -0.328 57.756 58.000 0.140 0.000 0.939 494 F CB 1.684 40.739 39.000 0.092 0.000 1.325 494 F HN 1.272 nan 8.300 nan 0.000 0.453 495 S N 0.994 116.906 115.700 0.353 0.000 2.627 495 S HA 0.638 5.108 4.470 -0.000 0.000 0.268 495 S C -2.399 172.353 174.600 0.254 0.000 1.130 495 S CA -0.810 57.494 58.200 0.174 0.000 0.819 495 S CB 1.651 64.886 63.200 0.059 0.000 1.100 495 S HN 1.779 nan 8.310 nan 0.000 0.465 496 Y N 1.296 121.551 120.300 -0.075 0.000 2.396 496 Y HA 0.686 5.236 4.550 -0.000 0.000 0.332 496 Y C -0.880 174.726 175.900 -0.490 0.000 1.034 496 Y CA 0.155 58.058 58.100 -0.328 0.000 1.057 496 Y CB 1.832 40.060 38.460 -0.386 0.000 1.220 496 Y HN 1.321 nan 8.280 nan 0.000 0.440 497 S N 4.287 119.313 115.700 -1.123 0.000 2.569 497 S HA 0.751 5.221 4.470 -0.000 0.000 0.280 497 S C -1.502 172.504 174.600 -0.991 0.000 1.111 497 S CA -1.058 56.573 58.200 -0.947 0.000 0.887 497 S CB 2.532 65.428 63.200 -0.507 0.000 1.095 497 S HN 0.696 nan 8.310 nan 0.000 0.476 498 E N 0.715 120.471 120.200 -0.741 0.000 2.281 498 E HA 0.757 5.106 4.350 -0.000 0.000 0.262 498 E C -0.824 175.601 176.600 -0.292 0.000 0.933 498 E CA -1.078 55.025 56.400 -0.496 0.000 0.809 498 E CB 2.045 31.515 29.700 -0.383 0.000 1.242 498 E HN 0.827 nan 8.360 nan 0.000 0.418 499 S N 0.595 116.180 115.700 -0.191 0.000 2.607 499 S HA 0.764 5.234 4.470 -0.000 0.000 0.273 499 S C -1.271 173.342 174.600 0.022 0.000 1.148 499 S CA -0.962 57.170 58.200 -0.112 0.000 0.833 499 S CB 1.115 64.189 63.200 -0.209 0.000 1.130 499 S HN 0.562 nan 8.310 nan 0.000 0.470 500 F N -0.563 119.305 119.950 -0.137 0.000 2.619 500 F HA 0.860 5.386 4.527 -0.000 0.000 0.308 500 F C -1.037 174.717 175.800 -0.077 0.000 1.097 500 F CA -0.732 57.209 58.000 -0.098 0.000 0.953 500 F CB 1.711 40.659 39.000 -0.086 0.000 1.287 500 F HN 0.807 nan 8.300 nan 0.000 0.446 501 E N 5.034 125.128 120.200 -0.178 0.000 2.409 501 E HA 0.399 4.748 4.350 -0.000 0.000 0.259 501 E C -2.877 173.712 176.600 -0.018 0.000 0.932 501 E CA -2.502 53.747 56.400 -0.253 0.000 0.809 501 E CB 1.927 31.520 29.700 -0.179 0.000 1.341 501 E HN 0.451 nan 8.360 nan 0.000 0.405 502 P HA -0.044 nan 4.420 nan 0.000 0.268 502 P C -0.287 177.070 177.300 0.095 0.000 1.208 502 P CA -0.128 63.059 63.100 0.144 0.000 0.777 502 P CB 1.429 33.238 31.700 0.181 0.000 0.875 503 S N 0.401 116.181 115.700 0.134 0.000 2.672 503 S HA 0.344 4.814 4.470 -0.000 0.000 0.276 503 S C 1.105 175.785 174.600 0.134 0.000 1.207 503 S CA 0.051 58.340 58.200 0.148 0.000 1.002 503 S CB 0.245 63.595 63.200 0.249 0.000 0.998 503 S HN 0.538 nan 8.310 nan 0.000 0.542 504 S N 1.131 116.912 115.700 0.134 0.000 2.687 504 S HA 0.307 4.777 4.470 -0.000 0.000 0.247 504 S C 0.132 174.797 174.600 0.108 0.000 1.050 504 S CA -0.519 57.743 58.200 0.103 0.000 1.063 504 S CB -0.109 63.141 63.200 0.083 0.000 1.039 504 S HN 0.726 nan 8.310 nan 0.000 0.580 505 Q N 1.273 121.180 119.800 0.178 0.000 2.260 505 Q HA 0.593 4.933 4.340 -0.000 0.000 0.242 505 Q C -0.942 175.076 176.000 0.030 0.000 0.932 505 Q CA -0.585 55.328 55.803 0.182 0.000 0.891 505 Q CB 1.732 30.661 28.738 0.318 0.000 1.222 505 Q HN 0.171 nan 8.270 nan 0.000 0.453 506 V N 1.036 120.889 119.914 -0.101 0.000 2.539 506 V HA 0.480 4.600 4.120 -0.000 0.000 0.292 506 V C 0.560 176.356 176.094 -0.496 0.000 1.045 506 V CA -0.420 61.691 62.300 -0.314 0.000 0.945 506 V CB 1.460 33.220 31.823 -0.105 0.000 0.993 506 V HN 0.909 nan 8.190 nan 0.000 0.464 507 G N 1.808 110.151 108.800 -0.761 0.000 2.557 507 G HA2 0.315 4.275 3.960 -0.000 0.000 0.292 507 G HA3 0.315 4.275 3.960 -0.000 0.000 0.292 507 G C 0.621 175.717 174.900 0.326 0.000 1.237 507 G CA -0.395 44.491 45.100 -0.356 0.000 0.978 507 G HN 0.717 nan 8.290 nan 0.000 0.498 508 K N -0.515 120.069 120.400 0.306 0.000 2.063 508 K HA -0.144 4.176 4.320 -0.000 0.000 0.208 508 K C 1.804 178.287 176.600 -0.195 0.000 1.048 508 K CA 1.847 57.999 56.287 -0.226 0.000 0.928 508 K CB -0.059 32.344 32.500 -0.162 0.000 0.713 508 K HN 0.591 nan 8.250 nan 0.000 0.442 509 D N -0.935 119.431 120.400 -0.057 0.000 2.371 509 D HA -0.005 4.635 4.640 -0.000 0.000 0.234 509 D C 0.794 177.076 176.300 -0.031 0.000 1.049 509 D CA 0.831 54.802 54.000 -0.047 0.000 0.907 509 D CB -0.250 40.540 40.800 -0.016 0.000 0.891 509 D HN 0.364 nan 8.370 nan 0.000 0.531 510 G N -0.138 108.660 108.800 -0.004 0.000 2.198 510 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.257 510 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.257 510 G C -0.276 174.612 174.900 -0.021 0.000 1.042 510 G CA -0.056 45.055 45.100 0.019 0.000 0.791 510 G HN 0.469 nan 8.290 nan 0.000 0.502 511 N N -0.895 117.760 118.700 -0.075 0.000 2.380 511 N HA 0.587 5.327 4.740 -0.000 0.000 0.290 511 N C -0.086 175.299 175.510 -0.208 0.000 1.236 511 N CA -0.757 52.236 53.050 -0.095 0.000 0.780 511 N CB 1.438 39.889 38.487 -0.060 0.000 1.438 511 N HN 0.117 nan 8.380 nan 0.000 0.491 512 I N 1.647 122.136 120.570 -0.135 0.000 2.371 512 I HA 0.188 4.358 4.170 -0.000 0.000 0.290 512 I C 0.337 176.396 176.117 -0.097 0.000 1.028 512 I CA -0.400 60.813 61.300 -0.145 0.000 1.345 512 I CB 0.173 38.163 38.000 -0.016 0.000 1.407 512 I HN 0.280 nan 8.210 nan 0.000 0.501 513 F N 4.202 124.198 119.950 0.076 0.000 2.640 513 F HA 0.125 4.652 4.527 -0.000 0.000 0.329 513 F C 1.136 176.978 175.800 0.071 0.000 1.224 513 F CA -0.058 57.987 58.000 0.074 0.000 1.373 513 F CB 0.129 39.173 39.000 0.073 0.000 1.129 513 F HN 0.447 nan 8.300 nan 0.000 0.610 514 A N 1.641 124.641 122.820 0.301 0.000 2.322 514 A HA 0.521 4.841 4.320 -0.000 0.000 0.269 514 A C -2.313 175.375 177.584 0.173 0.000 1.094 514 A CA -1.550 50.598 52.037 0.186 0.000 0.807 514 A CB -0.394 18.694 19.000 0.146 0.000 1.047 514 A HN 0.457 nan 8.150 nan 0.000 0.487 515 P HA 0.100 nan 4.420 nan 0.000 0.270 515 P C -0.087 177.292 177.300 0.131 0.000 1.221 515 P CA 0.207 63.409 63.100 0.170 0.000 0.788 515 P CB 0.503 32.343 31.700 0.232 0.000 0.904 516 S N 0.229 115.995 115.700 0.110 0.000 2.621 516 S HA 0.640 5.110 4.470 -0.000 0.000 0.302 516 S C -0.627 174.014 174.600 0.067 0.000 1.093 516 S CA -0.733 57.506 58.200 0.066 0.000 1.017 516 S CB 1.570 64.789 63.200 0.031 0.000 1.077 516 S HN 0.242 nan 8.310 nan 0.000 0.517 517 K N -0.152 120.270 120.400 0.036 0.000 2.395 517 K HA 0.683 5.003 4.320 -0.000 0.000 0.247 517 K C -0.587 175.977 176.600 -0.060 0.000 0.973 517 K CA -1.006 55.292 56.287 0.018 0.000 0.828 517 K CB 2.312 34.838 32.500 0.044 0.000 1.272 517 K HN 0.858 nan 8.250 nan 0.000 0.439 518 G N 1.472 110.206 108.800 -0.111 0.000 2.590 518 G HA2 0.520 4.480 3.960 -0.000 0.000 0.310 518 G HA3 0.520 4.480 3.960 -0.000 0.000 0.310 518 G C -1.261 173.511 174.900 -0.213 0.000 1.347 518 G CA -0.521 44.456 45.100 -0.205 0.000 0.963 518 G HN 0.349 nan 8.290 nan 0.000 0.494 519 K N 1.420 121.707 120.400 -0.188 0.000 2.507 519 K HA 0.418 4.738 4.320 -0.000 0.000 0.252 519 K C -0.687 175.779 176.600 -0.223 0.000 0.943 519 K CA -0.619 55.528 56.287 -0.234 0.000 0.808 519 K CB 2.713 35.211 32.500 -0.005 0.000 1.142 519 K HN 0.575 nan 8.250 nan 0.000 0.426 520 Q N 2.996 122.528 119.800 -0.446 0.000 2.356 520 Q HA 0.392 4.731 4.340 -0.000 0.000 0.270 520 Q C -1.606 174.223 176.000 -0.284 0.000 1.058 520 Q CA -0.788 54.868 55.803 -0.245 0.000 0.802 520 Q CB 1.300 29.906 28.738 -0.220 0.000 1.303 520 Q HN 0.554 nan 8.270 nan 0.000 0.444 521 Y N 1.177 121.566 120.300 0.148 0.000 2.393 521 Y HA 0.485 5.035 4.550 -0.000 0.000 0.341 521 Y C -0.452 175.563 175.900 0.191 0.000 0.988 521 Y CA -0.619 57.614 58.100 0.222 0.000 1.078 521 Y CB 2.228 40.814 38.460 0.210 0.000 1.203 521 Y HN 0.641 nan 8.280 nan 0.000 0.453 522 E N 2.051 122.453 120.200 0.337 0.000 2.335 522 E HA 0.663 5.013 4.350 -0.000 0.000 0.280 522 E C -2.228 174.490 176.600 0.196 0.000 0.918 522 E CA -0.590 55.971 56.400 0.268 0.000 0.765 522 E CB 2.062 31.909 29.700 0.246 0.000 1.218 522 E HN 0.449 nan 8.360 nan 0.000 0.425 523 V N 2.550 122.510 119.914 0.077 0.000 2.656 523 V HA 0.913 5.032 4.120 -0.000 0.000 0.307 523 V C 0.326 176.270 176.094 -0.251 0.000 1.051 523 V CA 0.057 62.308 62.300 -0.081 0.000 0.893 523 V CB 1.623 33.444 31.823 -0.003 0.000 0.999 523 V HN 0.835 nan 8.190 nan 0.000 0.426 524 G N 2.386 110.813 108.800 -0.623 0.000 2.554 524 G HA2 0.683 4.643 3.960 -0.000 0.000 0.306 524 G HA3 0.683 4.643 3.960 -0.000 0.000 0.306 524 G C -2.048 172.666 174.900 -0.310 0.000 1.320 524 G CA -0.409 44.434 45.100 -0.428 0.000 0.800 524 G HN 0.666 nan 8.290 nan 0.000 0.481 525 V N 0.019 119.981 119.914 0.079 0.000 2.932 525 V HA 0.587 4.707 4.120 -0.000 0.000 0.307 525 V C -0.995 175.280 176.094 0.300 0.000 1.147 525 V CA -0.964 61.470 62.300 0.223 0.000 0.951 525 V CB 2.234 34.124 31.823 0.112 0.000 1.031 525 V HN 0.736 nan 8.190 nan 0.000 0.426 526 K N 3.131 123.716 120.400 0.309 0.000 2.426 526 K HA 0.515 4.835 4.320 -0.000 0.000 0.254 526 K C -1.785 174.967 176.600 0.253 0.000 0.936 526 K CA -0.808 55.621 56.287 0.238 0.000 0.801 526 K CB 2.448 35.047 32.500 0.164 0.000 1.139 526 K HN 0.633 nan 8.250 nan 0.000 0.424 527 Y N 3.112 123.458 120.300 0.076 0.000 2.434 527 Y HA 0.295 4.845 4.550 -0.000 0.000 0.341 527 Y C -0.931 174.995 175.900 0.043 0.000 0.965 527 Y CA -1.106 57.026 58.100 0.054 0.000 1.205 527 Y CB 0.788 39.272 38.460 0.040 0.000 1.121 527 Y HN 0.264 nan 8.280 nan 0.000 0.507 528 V N 9.241 129.046 119.914 -0.182 0.000 2.383 528 V HA 0.278 4.397 4.120 -0.000 0.000 0.261 528 V C -2.329 173.601 176.094 -0.275 0.000 0.987 528 V CA -1.562 60.581 62.300 -0.261 0.000 0.853 528 V CB 0.658 32.423 31.823 -0.096 0.000 1.095 528 V HN 0.650 nan 8.190 nan 0.000 0.461 529 P HA 0.198 nan 4.420 nan 0.000 0.271 529 P C 0.468 177.686 177.300 -0.137 0.000 1.216 529 P CA 0.091 63.046 63.100 -0.241 0.000 0.771 529 P CB 1.570 33.099 31.700 -0.285 0.000 0.864 530 E N 1.590 121.751 120.200 -0.066 0.000 2.208 530 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 530 E C 1.094 177.665 176.600 -0.048 0.000 0.988 530 E CA 1.283 57.652 56.400 -0.053 0.000 0.828 530 E CB -0.036 29.644 29.700 -0.033 0.000 0.763 530 E HN 0.590 nan 8.360 nan 0.000 0.478 531 D N 0.265 120.642 120.400 -0.038 0.000 2.216 531 D HA -0.042 4.597 4.640 -0.000 0.000 0.208 531 D C 0.652 176.930 176.300 -0.037 0.000 0.960 531 D CA 0.444 54.426 54.000 -0.029 0.000 0.861 531 D CB -0.047 40.748 40.800 -0.009 0.000 0.985 531 D HN -0.106 nan 8.370 nan 0.000 0.493 532 R N 1.092 121.562 120.500 -0.049 0.000 2.407 532 R HA 0.367 4.707 4.340 -0.000 0.000 0.303 532 R C -2.249 173.999 176.300 -0.086 0.000 0.981 532 R CA -1.789 54.279 56.100 -0.052 0.000 0.905 532 R CB 1.644 31.931 30.300 -0.021 0.000 1.099 532 R HN 0.046 nan 8.270 nan 0.000 0.459 533 P HA 0.076 nan 4.420 nan 0.000 0.237 533 P C -1.047 176.219 177.300 -0.057 0.000 1.788 533 P CA 0.023 63.085 63.100 -0.063 0.000 1.061 533 P CB -0.258 31.412 31.700 -0.050 0.000 1.967 534 I N -0.883 119.628 120.570 -0.098 0.000 3.095 534 I HA 0.721 4.890 4.170 -0.000 0.000 0.310 534 I C -1.605 174.439 176.117 -0.121 0.000 1.196 534 I CA -1.356 59.899 61.300 -0.074 0.000 0.985 534 I CB 2.597 40.574 38.000 -0.038 0.000 1.250 534 I HN -0.197 nan 8.210 nan 0.000 0.446 535 V N 3.913 123.801 119.914 -0.044 0.000 2.711 535 V HA 0.686 4.806 4.120 -0.000 0.000 0.304 535 V C -0.932 175.195 176.094 0.056 0.000 1.097 535 V CA -0.458 61.826 62.300 -0.026 0.000 0.906 535 V CB 1.843 33.661 31.823 -0.008 0.000 1.015 535 V HN 0.716 nan 8.190 nan 0.000 0.427 536 V N 3.333 123.312 119.914 0.108 0.000 2.789 536 V HA 0.778 4.898 4.120 -0.000 0.000 0.311 536 V C -0.209 175.983 176.094 0.163 0.000 1.073 536 V CA -0.304 62.090 62.300 0.156 0.000 0.921 536 V CB 2.643 34.595 31.823 0.215 0.000 1.009 536 V HN 0.896 nan 8.190 nan 0.000 0.426 537 T N 1.994 116.638 114.554 0.150 0.000 2.903 537 T HA 0.815 5.165 4.350 -0.000 0.000 0.299 537 T C -0.295 174.501 174.700 0.160 0.000 1.093 537 T CA -0.399 61.798 62.100 0.161 0.000 1.002 537 T CB 2.005 70.961 68.868 0.146 0.000 1.127 537 T HN 1.141 nan 8.240 nan 0.000 0.488 538 G N 0.407 109.308 108.800 0.169 0.000 2.719 538 G HA2 0.773 4.733 3.960 -0.000 0.000 0.298 538 G HA3 0.773 4.733 3.960 -0.000 0.000 0.298 538 G C -1.691 173.301 174.900 0.153 0.000 1.411 538 G CA -0.428 44.762 45.100 0.150 0.000 0.991 538 G HN 0.964 nan 8.290 nan 0.000 0.509 539 A N 0.540 123.454 122.820 0.156 0.000 2.594 539 A HA 0.815 5.135 4.320 -0.000 0.000 0.296 539 A C -1.448 176.239 177.584 0.172 0.000 1.061 539 A CA -0.520 51.608 52.037 0.152 0.000 0.689 539 A CB 1.709 20.846 19.000 0.228 0.000 1.280 539 A HN 1.468 nan 8.150 nan 0.000 0.406 540 V N 1.900 121.896 119.914 0.137 0.000 2.680 540 V HA 0.827 4.947 4.120 -0.000 0.000 0.309 540 V C -0.861 175.341 176.094 0.179 0.000 1.052 540 V CA -0.444 61.914 62.300 0.097 0.000 0.908 540 V CB 1.516 33.359 31.823 0.035 0.000 1.001 540 V HN 1.281 nan 8.190 nan 0.000 0.431 541 Y N 1.341 121.689 120.300 0.081 0.000 2.638 541 Y HA 0.659 5.209 4.550 -0.000 0.000 0.335 541 Y C -0.988 174.971 175.900 0.098 0.000 1.155 541 Y CA -1.318 56.838 58.100 0.093 0.000 1.046 541 Y CB 1.855 40.360 38.460 0.074 0.000 1.303 541 Y HN 0.495 nan 8.280 nan 0.000 0.460 542 N N 3.125 122.017 118.700 0.320 0.000 2.648 542 N HA 0.248 4.988 4.740 -0.000 0.000 0.261 542 N C -2.147 173.556 175.510 0.321 0.000 1.138 542 N CA -0.197 52.999 53.050 0.244 0.000 0.804 542 N CB 1.218 39.815 38.487 0.183 0.000 1.237 542 N HN 0.950 nan 8.380 nan 0.000 0.532 543 L N 2.229 123.667 121.223 0.359 0.000 2.325 543 L HA 0.571 4.911 4.340 -0.000 0.000 0.279 543 L C -0.364 176.600 176.870 0.156 0.000 1.054 543 L CA -0.152 54.795 54.840 0.179 0.000 0.804 543 L CB 1.658 43.784 42.059 0.111 0.000 1.200 543 L HN 0.485 nan 8.230 nan 0.000 0.436 544 T N 3.966 118.550 114.554 0.050 0.000 3.032 544 T HA 0.264 4.614 4.350 -0.000 0.000 0.312 544 T C -1.133 173.553 174.700 -0.022 0.000 1.078 544 T CA -0.772 61.376 62.100 0.080 0.000 1.028 544 T CB 1.294 70.232 68.868 0.116 0.000 1.091 544 T HN 0.687 nan 8.240 nan 0.000 0.457 545 K N 3.887 124.295 120.400 0.013 0.000 2.263 545 K HA 0.543 4.862 4.320 -0.000 0.000 0.272 545 K C 0.258 176.882 176.600 0.039 0.000 1.033 545 K CA -0.500 55.765 56.287 -0.037 0.000 0.884 545 K CB 0.912 33.406 32.500 -0.011 0.000 1.107 545 K HN 0.830 nan 8.250 nan 0.000 0.460 546 T N 0.772 115.340 114.554 0.025 0.000 2.936 546 T HA 0.211 4.561 4.350 -0.000 0.000 0.282 546 T C 0.420 175.145 174.700 0.042 0.000 1.003 546 T CA -0.519 61.609 62.100 0.046 0.000 1.005 546 T CB 0.842 69.742 68.868 0.053 0.000 1.097 546 T HN 0.930 nan 8.240 nan 0.000 0.532 547 N N 0.431 119.158 118.700 0.045 0.000 2.727 547 N HA -0.241 4.499 4.740 -0.000 0.000 0.249 547 N C -0.638 174.882 175.510 0.017 0.000 1.048 547 N CA 0.180 53.252 53.050 0.035 0.000 0.714 547 N CB -1.073 37.444 38.487 0.049 0.000 0.959 547 N HN 0.830 nan 8.380 nan 0.000 0.544 548 N N 0.442 119.157 118.700 0.025 0.000 2.529 548 N HA 0.277 5.016 4.740 -0.000 0.000 0.278 548 N C -0.151 175.341 175.510 -0.030 0.000 1.146 548 N CA -0.302 52.760 53.050 0.021 0.000 0.980 548 N CB 0.686 39.217 38.487 0.073 0.000 1.124 548 N HN 0.207 nan 8.380 nan 0.000 0.458 549 L N 3.637 124.812 121.223 -0.080 0.000 2.367 549 L HA 0.261 4.601 4.340 -0.000 0.000 0.275 549 L C 0.444 177.272 176.870 -0.071 0.000 1.129 549 L CA -0.133 54.598 54.840 -0.181 0.000 0.839 549 L CB 0.191 42.079 42.059 -0.284 0.000 1.133 549 L HN 0.608 nan 8.230 nan 0.000 0.453 550 M N 2.212 121.766 119.600 -0.078 0.000 2.719 550 M HA 0.771 5.251 4.480 -0.000 0.000 0.291 550 M C -0.540 175.742 176.300 -0.029 0.000 1.264 550 M CA -0.888 54.401 55.300 -0.017 0.000 0.811 550 M CB 1.892 34.489 32.600 -0.004 0.000 1.756 550 M HN 0.420 nan 8.290 nan 0.000 0.464 551 A N 1.383 124.187 122.820 -0.026 0.000 2.498 551 A HA 0.207 4.527 4.320 -0.000 0.000 0.239 551 A C -0.477 177.090 177.584 -0.028 0.000 1.068 551 A CA 0.079 52.096 52.037 -0.032 0.000 0.766 551 A CB -0.192 18.757 19.000 -0.085 0.000 1.003 551 A HN 0.834 nan 8.150 nan 0.000 0.497 552 D N 2.291 122.693 120.400 0.002 0.000 2.390 552 D HA 0.220 4.860 4.640 -0.000 0.000 0.249 552 D C -1.831 174.456 176.300 -0.021 0.000 1.144 552 D CA -1.664 52.345 54.000 0.015 0.000 0.880 552 D CB 0.807 41.645 40.800 0.063 0.000 1.182 552 D HN 0.246 nan 8.370 nan 0.000 0.451 553 P HA 0.080 nan 4.420 nan 0.000 0.262 553 P C -0.997 176.282 177.300 -0.035 0.000 1.647 553 P CA 0.244 63.322 63.100 -0.037 0.000 0.865 553 P CB -0.226 31.457 31.700 -0.029 0.000 1.834 554 E N -1.558 118.618 120.200 -0.040 0.000 2.388 554 E HA 0.352 4.702 4.350 -0.000 0.000 0.281 554 E C 0.853 177.410 176.600 -0.072 0.000 1.046 554 E CA -0.817 55.557 56.400 -0.043 0.000 0.825 554 E CB 0.267 29.954 29.700 -0.021 0.000 1.243 554 E HN -0.083 nan 8.360 nan 0.000 0.438 555 G N 0.800 109.546 108.800 -0.091 0.000 2.687 555 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.209 555 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.209 555 G C 0.410 175.180 174.900 -0.216 0.000 1.146 555 G CA 0.689 45.687 45.100 -0.170 0.000 0.787 555 G HN 0.326 nan 8.290 nan 0.000 0.532 556 S N -0.364 115.292 115.700 -0.073 0.000 2.510 556 S HA 0.287 4.757 4.470 -0.000 0.000 0.279 556 S C 0.579 175.234 174.600 0.093 0.000 1.284 556 S CA -0.689 57.550 58.200 0.066 0.000 1.059 556 S CB 0.620 63.882 63.200 0.103 0.000 0.901 556 S HN 0.106 nan 8.310 nan 0.000 0.491 557 F N 1.586 121.665 119.950 0.214 0.000 2.664 557 F HA 0.214 4.741 4.527 -0.000 0.000 0.297 557 F C 0.637 176.547 175.800 0.183 0.000 1.164 557 F CA -0.147 57.950 58.000 0.160 0.000 1.472 557 F CB -0.588 38.471 39.000 0.098 0.000 1.108 557 F HN 0.475 nan 8.300 nan 0.000 0.596 558 F N -0.901 119.160 119.950 0.185 0.000 2.368 558 F HA 0.368 4.895 4.527 -0.000 0.000 0.315 558 F C 0.974 176.869 175.800 0.158 0.000 1.145 558 F CA -0.768 57.340 58.000 0.182 0.000 1.095 558 F CB 0.592 39.692 39.000 0.167 0.000 1.286 558 F HN -0.372 nan 8.300 nan 0.000 0.530 559 S N -0.236 115.690 115.700 0.375 0.000 2.768 559 S HA 0.847 5.317 4.470 -0.000 0.000 0.300 559 S C -1.185 173.533 174.600 0.196 0.000 1.122 559 S CA -0.522 57.796 58.200 0.198 0.000 0.995 559 S CB 1.523 64.754 63.200 0.052 0.000 1.195 559 S HN 0.517 nan 8.310 nan 0.000 0.547 560 V N 0.446 120.322 119.914 -0.064 0.000 3.216 560 V HA 0.535 4.655 4.120 -0.000 0.000 0.302 560 V C -0.852 175.097 176.094 -0.242 0.000 1.286 560 V CA -0.635 61.629 62.300 -0.060 0.000 1.048 560 V CB 2.017 33.865 31.823 0.043 0.000 1.081 560 V HN 1.077 nan 8.190 nan 0.000 0.442 561 E N 1.541 121.657 120.200 -0.140 0.000 4.034 561 E HA 0.511 4.861 4.350 -0.000 0.000 0.297 561 E C 0.941 177.519 176.600 -0.035 0.000 1.372 561 E CA -0.057 56.274 56.400 -0.115 0.000 1.555 561 E CB 0.314 30.012 29.700 -0.003 0.000 1.488 561 E HN 1.521 nan 8.360 nan 0.000 0.782 562 G N -0.325 108.474 108.800 -0.001 0.000 2.168 562 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.263 562 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.263 562 G C 0.466 175.382 174.900 0.026 0.000 0.977 562 G CA 0.145 45.257 45.100 0.021 0.000 0.659 562 G HN 0.664 nan 8.290 nan 0.000 0.533 563 G N -0.734 108.079 108.800 0.021 0.000 2.572 563 G HA2 0.571 4.530 3.960 -0.000 0.000 0.261 563 G HA3 0.571 4.530 3.960 -0.000 0.000 0.261 563 G C -0.294 174.651 174.900 0.074 0.000 1.197 563 G CA 0.440 45.572 45.100 0.053 0.000 0.870 563 G HN 0.785 nan 8.290 nan 0.000 0.548 564 E N -0.154 120.108 120.200 0.103 0.000 2.321 564 E HA 0.443 4.793 4.350 -0.000 0.000 0.281 564 E C -1.312 175.355 176.600 0.113 0.000 0.910 564 E CA -0.644 55.816 56.400 0.100 0.000 0.770 564 E CB 1.656 31.406 29.700 0.083 0.000 1.225 564 E HN 0.385 nan 8.360 nan 0.000 0.417 565 I N 3.113 123.743 120.570 0.100 0.000 2.646 565 I HA 0.549 4.718 4.170 -0.000 0.000 0.299 565 I C -0.331 175.858 176.117 0.118 0.000 1.036 565 I CA -1.042 60.279 61.300 0.034 0.000 1.074 565 I CB 1.943 39.898 38.000 -0.076 0.000 1.258 565 I HN 0.358 nan 8.210 nan 0.000 0.430 566 R N 4.271 124.807 120.500 0.061 0.000 2.575 566 R HA 0.839 5.179 4.340 -0.000 0.000 0.293 566 R C -1.984 174.360 176.300 0.074 0.000 0.983 566 R CA -0.525 55.645 56.100 0.115 0.000 0.887 566 R CB 2.161 32.509 30.300 0.080 0.000 1.184 566 R HN 0.788 nan 8.270 nan 0.000 0.445 567 A N 4.775 127.701 122.820 0.178 0.000 2.393 567 A HA 0.784 5.104 4.320 -0.000 0.000 0.306 567 A C -1.003 176.662 177.584 0.136 0.000 1.050 567 A CA -0.878 51.240 52.037 0.134 0.000 0.724 567 A CB 1.285 20.433 19.000 0.247 0.000 1.248 567 A HN 0.862 nan 8.150 nan 0.000 0.424 568 R N 1.219 121.656 120.500 -0.106 0.000 2.668 568 R HA 0.848 5.188 4.340 -0.000 0.000 0.272 568 R C -0.130 175.792 176.300 -0.631 0.000 1.019 568 R CA -0.312 55.527 56.100 -0.434 0.000 0.894 568 R CB 1.673 31.855 30.300 -0.196 0.000 1.228 568 R HN 1.551 nan 8.270 nan 0.000 0.460 569 G N 0.463 108.620 108.800 -1.071 0.000 2.489 569 G HA2 0.479 4.439 3.960 -0.000 0.000 0.305 569 G HA3 0.479 4.439 3.960 -0.000 0.000 0.305 569 G C -1.866 172.903 174.900 -0.219 0.000 1.311 569 G CA -0.572 44.234 45.100 -0.489 0.000 0.813 569 G HN 0.402 nan 8.290 nan 0.000 0.480 570 V N 0.589 120.563 119.914 0.100 0.000 2.638 570 V HA 0.621 4.741 4.120 -0.000 0.000 0.306 570 V C -0.818 175.396 176.094 0.200 0.000 1.052 570 V CA -0.684 61.729 62.300 0.188 0.000 0.885 570 V CB 1.604 33.576 31.823 0.249 0.000 0.999 570 V HN 0.773 nan 8.190 nan 0.000 0.424 571 E N 4.318 124.645 120.200 0.211 0.000 2.272 571 E HA 0.736 5.086 4.350 -0.000 0.000 0.269 571 E C -1.226 175.487 176.600 0.189 0.000 0.877 571 E CA -0.802 55.698 56.400 0.168 0.000 0.755 571 E CB 3.225 33.015 29.700 0.149 0.000 1.192 571 E HN 0.612 nan 8.360 nan 0.000 0.422 572 I N -0.258 120.432 120.570 0.200 0.000 2.686 572 I HA 0.475 4.645 4.170 -0.000 0.000 0.295 572 I C -1.467 174.755 176.117 0.175 0.000 1.114 572 I CA -0.281 61.135 61.300 0.193 0.000 1.038 572 I CB 2.191 40.318 38.000 0.213 0.000 1.238 572 I HN 0.595 nan 8.210 nan 0.000 0.420 573 E N 5.341 125.632 120.200 0.150 0.000 2.314 573 E HA 0.843 5.193 4.350 -0.000 0.000 0.272 573 E C -1.960 174.719 176.600 0.132 0.000 0.884 573 E CA -1.148 55.334 56.400 0.138 0.000 0.753 573 E CB 2.036 31.803 29.700 0.112 0.000 1.213 573 E HN 0.981 nan 8.360 nan 0.000 0.432 574 A N 4.179 127.079 122.820 0.133 0.000 2.381 574 A HA 0.633 4.953 4.320 -0.000 0.000 0.299 574 A C -1.287 176.367 177.584 0.116 0.000 1.049 574 A CA -0.752 51.358 52.037 0.122 0.000 0.715 574 A CB 1.244 20.318 19.000 0.123 0.000 1.222 574 A HN 0.518 nan 8.150 nan 0.000 0.428 575 K N 1.615 122.073 120.400 0.096 0.000 2.507 575 K HA 0.714 5.034 4.320 -0.000 0.000 0.251 575 K C -1.447 175.196 176.600 0.071 0.000 0.943 575 K CA -0.802 55.541 56.287 0.093 0.000 0.794 575 K CB 2.662 35.210 32.500 0.081 0.000 1.188 575 K HN 0.822 nan 8.250 nan 0.000 0.428 576 R N 0.605 121.152 120.500 0.078 0.000 2.858 576 R HA 0.240 4.580 4.340 -0.000 0.000 0.252 576 R C -3.221 173.113 176.300 0.055 0.000 1.063 576 R CA -1.515 54.616 56.100 0.052 0.000 0.955 576 R CB -0.091 30.235 30.300 0.044 0.000 1.259 576 R HN 0.292 nan 8.270 nan 0.000 0.477 577 P HA 0.235 nan 4.420 nan 0.000 0.258 577 P C 0.227 177.528 177.300 0.001 0.000 1.647 577 P CA -0.545 62.562 63.100 0.012 0.000 1.099 577 P CB 0.649 32.334 31.700 -0.024 0.000 1.604 578 L N 1.614 122.848 121.223 0.018 0.000 2.651 578 L HA -0.049 4.291 4.340 -0.000 0.000 0.236 578 L C 1.028 177.892 176.870 -0.009 0.000 1.173 578 L CA 0.834 55.682 54.840 0.013 0.000 0.843 578 L CB -0.947 41.129 42.059 0.028 0.000 0.964 578 L HN 0.510 nan 8.230 nan 0.000 0.454 579 S N -3.788 111.894 115.700 -0.030 0.000 2.707 579 S HA 0.353 4.823 4.470 -0.000 0.000 0.270 579 S C 0.174 174.708 174.600 -0.110 0.000 1.031 579 S CA -0.378 57.780 58.200 -0.069 0.000 0.866 579 S CB 0.907 64.075 63.200 -0.055 0.000 1.114 579 S HN -0.071 nan 8.310 nan 0.000 0.465 580 A N 0.794 123.499 122.820 -0.190 0.000 2.178 580 A HA 0.205 4.525 4.320 -0.000 0.000 0.218 580 A C 1.732 179.218 177.584 -0.164 0.000 1.157 580 A CA 1.857 53.727 52.037 -0.278 0.000 0.689 580 A CB -0.958 17.724 19.000 -0.531 0.000 0.787 580 A HN 1.070 nan 8.150 nan 0.000 0.465 581 S N -1.951 113.674 115.700 -0.124 0.000 2.520 581 S HA 0.296 4.766 4.470 -0.000 0.000 0.219 581 S C 0.225 174.730 174.600 -0.159 0.000 1.028 581 S CA -0.084 58.042 58.200 -0.123 0.000 0.921 581 S CB 0.622 63.561 63.200 -0.435 0.000 0.844 581 S HN 0.161 nan 8.310 nan 0.000 0.495 582 V N 3.303 123.196 119.914 -0.035 0.000 2.680 582 V HA 0.545 4.665 4.120 -0.000 0.000 0.309 582 V C -1.042 175.092 176.094 0.067 0.000 1.052 582 V CA -0.804 61.532 62.300 0.060 0.000 0.908 582 V CB 1.969 33.854 31.823 0.103 0.000 1.001 582 V HN 0.289 nan 8.190 nan 0.000 0.431 583 N N 2.602 121.378 118.700 0.126 0.000 2.235 583 N HA 0.676 5.416 4.740 -0.000 0.000 0.293 583 N C -1.630 173.984 175.510 0.174 0.000 1.083 583 N CA -0.341 52.804 53.050 0.159 0.000 0.801 583 N CB 2.729 41.370 38.487 0.258 0.000 1.559 583 N HN 0.322 nan 8.380 nan 0.000 0.472 584 V N 1.464 121.472 119.914 0.157 0.000 2.638 584 V HA 0.497 4.617 4.120 -0.000 0.000 0.306 584 V C -0.526 175.674 176.094 0.177 0.000 1.052 584 V CA -0.689 61.701 62.300 0.150 0.000 0.885 584 V CB 2.324 34.203 31.823 0.094 0.000 0.999 584 V HN 0.369 nan 8.190 nan 0.000 0.424 585 V N 3.253 123.297 119.914 0.216 0.000 2.709 585 V HA 1.022 5.142 4.120 -0.000 0.000 0.308 585 V C 0.266 176.478 176.094 0.197 0.000 1.062 585 V CA 0.316 62.728 62.300 0.186 0.000 0.901 585 V CB 2.007 33.924 31.823 0.157 0.000 1.003 585 V HN 1.118 nan 8.190 nan 0.000 0.425 586 G N 2.772 111.696 108.800 0.206 0.000 2.576 586 G HA2 0.747 4.707 3.960 -0.000 0.000 0.290 586 G HA3 0.747 4.707 3.960 -0.000 0.000 0.290 586 G C -1.111 173.923 174.900 0.223 0.000 1.442 586 G CA 0.136 45.387 45.100 0.252 0.000 0.792 586 G HN 1.243 nan 8.290 nan 0.000 0.491 587 S N -1.316 114.525 115.700 0.234 0.000 2.588 587 S HA 0.780 5.250 4.470 -0.000 0.000 0.269 587 S C -1.838 172.911 174.600 0.248 0.000 1.157 587 S CA -0.833 57.490 58.200 0.206 0.000 0.824 587 S CB 2.075 65.366 63.200 0.151 0.000 1.126 587 S HN 1.911 nan 8.310 nan 0.000 0.464 588 Y N 0.379 120.754 120.300 0.124 0.000 2.492 588 Y HA 0.707 5.257 4.550 -0.000 0.000 0.346 588 Y C -1.306 174.676 175.900 0.138 0.000 0.997 588 Y CA -0.253 57.928 58.100 0.135 0.000 1.025 588 Y CB 2.415 40.953 38.460 0.129 0.000 1.263 588 Y HN 0.932 nan 8.280 nan 0.000 0.454 589 T N 6.108 120.105 114.554 -0.928 0.000 3.011 589 T HA 0.236 4.586 4.350 -0.000 0.000 0.303 589 T C -2.208 172.107 174.700 -0.641 0.000 0.997 589 T CA -0.461 61.298 62.100 -0.569 0.000 1.007 589 T CB 0.471 69.191 68.868 -0.247 0.000 1.017 589 T HN 0.495 nan 8.240 nan 0.000 0.443 590 Y N 2.913 122.937 120.300 -0.459 0.000 2.328 590 Y HA 0.646 5.196 4.550 -0.000 0.000 0.337 590 Y C -0.224 175.559 175.900 -0.196 0.000 0.966 590 Y CA -0.635 57.287 58.100 -0.296 0.000 1.136 590 Y CB 1.506 39.954 38.460 -0.021 0.000 1.170 590 Y HN 0.613 nan 8.280 nan 0.000 0.470 591 T N 5.482 119.481 114.554 -0.925 0.000 2.879 591 T HA 0.278 4.627 4.350 -0.000 0.000 0.290 591 T C -1.756 172.483 174.700 -0.768 0.000 0.993 591 T CA -0.721 60.980 62.100 -0.665 0.000 0.975 591 T CB 0.843 69.540 68.868 -0.283 0.000 0.981 591 T HN 0.762 nan 8.240 nan 0.000 0.439 592 D N 3.993 124.030 120.400 -0.604 0.000 2.462 592 D HA 0.530 5.170 4.640 -0.000 0.000 0.249 592 D C -0.311 175.862 176.300 -0.210 0.000 1.117 592 D CA -0.293 53.485 54.000 -0.369 0.000 0.900 592 D CB 1.003 41.672 40.800 -0.220 0.000 1.039 592 D HN 0.796 nan 8.370 nan 0.000 0.516 593 A N 3.253 125.948 122.820 -0.209 0.000 2.320 593 A HA 0.726 5.046 4.320 -0.000 0.000 0.334 593 A C -0.242 177.223 177.584 -0.198 0.000 1.147 593 A CA -0.540 51.369 52.037 -0.213 0.000 0.820 593 A CB 1.594 20.398 19.000 -0.327 0.000 1.218 593 A HN 0.584 nan 8.150 nan 0.000 0.482 594 E N 0.403 120.482 120.200 -0.202 0.000 2.388 594 E HA 0.306 4.656 4.350 -0.000 0.000 0.281 594 E C -1.996 174.517 176.600 -0.145 0.000 1.046 594 E CA -0.537 55.774 56.400 -0.149 0.000 0.825 594 E CB 1.011 30.682 29.700 -0.048 0.000 1.243 594 E HN 0.582 nan 8.360 nan 0.000 0.438 595 Y N 2.129 122.396 120.300 -0.054 0.000 2.613 595 Y HA 0.057 4.607 4.550 -0.000 0.000 0.354 595 Y C 1.749 177.648 175.900 -0.003 0.000 1.063 595 Y CA 0.627 58.716 58.100 -0.019 0.000 1.384 595 Y CB 0.870 39.331 38.460 0.001 0.000 1.199 595 Y HN 0.567 nan 8.280 nan 0.000 0.517 596 T N -2.253 112.376 114.554 0.125 0.000 2.995 596 T HA -0.069 4.281 4.350 -0.000 0.000 0.269 596 T C 0.771 175.523 174.700 0.087 0.000 1.091 596 T CA 1.052 63.205 62.100 0.087 0.000 1.128 596 T CB 0.007 68.915 68.868 0.067 0.000 0.891 596 T HN 0.545 nan 8.240 nan 0.000 0.492 597 T N 0.459 115.080 114.554 0.112 0.000 3.634 597 T HA 0.276 4.626 4.350 -0.000 0.000 0.319 597 T C -2.355 172.397 174.700 0.086 0.000 0.773 597 T CA -0.851 61.296 62.100 0.079 0.000 1.085 597 T CB 0.672 69.575 68.868 0.058 0.000 1.025 597 T HN 0.301 nan 8.240 nan 0.000 0.483 598 D N 3.078 123.513 120.400 0.058 0.000 2.896 598 D HA 0.238 4.878 4.640 -0.000 0.000 0.241 598 D C 1.356 177.615 176.300 -0.068 0.000 1.188 598 D CA -0.314 53.695 54.000 0.015 0.000 0.879 598 D CB 2.538 43.344 40.800 0.010 0.000 1.553 598 D HN 0.551 nan 8.370 nan 0.000 0.515 599 T N 0.369 114.876 114.554 -0.078 0.000 3.202 599 T HA -0.043 4.307 4.350 -0.000 0.000 0.267 599 T C 0.928 175.507 174.700 -0.201 0.000 1.183 599 T CA 1.229 63.262 62.100 -0.110 0.000 1.055 599 T CB -0.009 68.807 68.868 -0.086 0.000 0.898 599 T HN 0.389 nan 8.240 nan 0.000 0.555 600 T N -1.287 113.080 114.554 -0.312 0.000 3.367 600 T HA 0.187 4.537 4.350 -0.000 0.000 0.273 600 T C 0.090 174.379 174.700 -0.684 0.000 0.879 600 T CA -0.327 61.444 62.100 -0.549 0.000 0.952 600 T CB 0.131 68.506 68.868 -0.822 0.000 1.236 600 T HN 0.403 nan 8.240 nan 0.000 0.532 601 Y N 2.051 122.136 120.300 -0.357 0.000 2.607 601 Y HA 0.477 5.026 4.550 -0.000 0.000 0.266 601 Y C 0.678 176.354 175.900 -0.373 0.000 1.178 601 Y CA -1.124 56.683 58.100 -0.488 0.000 1.226 601 Y CB 0.001 37.892 38.460 -0.948 0.000 1.144 601 Y HN 0.004 nan 8.280 nan 0.000 0.528 602 K N 0.989 121.318 120.400 -0.119 0.000 2.491 602 K HA 0.191 4.511 4.320 -0.000 0.000 0.279 602 K C 1.277 177.885 176.600 0.014 0.000 1.026 602 K CA 1.470 57.753 56.287 -0.007 0.000 1.070 602 K CB -0.166 32.321 32.500 -0.021 0.000 0.887 602 K HN 0.609 nan 8.250 nan 0.000 0.481 603 G N 3.087 111.930 108.800 0.071 0.000 2.317 603 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.227 603 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.227 603 G C 0.038 174.956 174.900 0.030 0.000 1.042 603 G CA 0.137 45.261 45.100 0.039 0.000 0.623 603 G HN 0.736 nan 8.290 nan 0.000 0.509 604 N N 1.141 119.866 118.700 0.043 0.000 2.354 604 N HA 0.468 5.208 4.740 -0.000 0.000 0.246 604 N C 0.333 175.878 175.510 0.057 0.000 1.285 604 N CA 0.737 53.767 53.050 -0.034 0.000 0.925 604 N CB 0.441 38.887 38.487 -0.069 0.000 1.174 604 N HN 0.491 nan 8.380 nan 0.000 0.478 605 T N -1.656 112.811 114.554 -0.144 0.000 2.824 605 T HA 0.381 4.731 4.350 -0.000 0.000 0.280 605 T C -2.739 171.884 174.700 -0.128 0.000 0.995 605 T CA -2.169 59.852 62.100 -0.131 0.000 1.009 605 T CB 1.633 70.451 68.868 -0.084 0.000 0.955 605 T HN 0.148 nan 8.240 nan 0.000 0.452 606 P HA 0.255 nan 4.420 nan 0.000 0.266 606 P C -0.210 177.002 177.300 -0.147 0.000 1.193 606 P CA -0.069 62.872 63.100 -0.265 0.000 0.770 606 P CB 0.176 31.582 31.700 -0.490 0.000 0.836 607 A N 2.982 125.730 122.820 -0.120 0.000 2.366 607 A HA 0.113 4.433 4.320 -0.000 0.000 0.249 607 A C 0.676 178.205 177.584 -0.091 0.000 1.084 607 A CA 0.051 52.029 52.037 -0.099 0.000 0.794 607 A CB -0.478 18.445 19.000 -0.129 0.000 1.034 607 A HN 0.716 nan 8.150 nan 0.000 0.491 608 Q N -2.073 117.684 119.800 -0.070 0.000 2.416 608 Q HA -0.157 4.183 4.340 -0.000 0.000 0.235 608 Q C -0.621 175.330 176.000 -0.081 0.000 0.773 608 Q CA 0.925 56.699 55.803 -0.049 0.000 1.286 608 Q CB -2.046 26.681 28.738 -0.017 0.000 1.556 608 Q HN 0.507 nan 8.270 nan 0.000 0.650 609 V N 2.148 121.999 119.914 -0.105 0.000 2.313 609 V HA 0.370 4.490 4.120 -0.000 0.000 0.278 609 V C -1.524 174.491 176.094 -0.131 0.000 1.017 609 V CA -1.208 61.008 62.300 -0.139 0.000 0.823 609 V CB 1.027 32.735 31.823 -0.192 0.000 1.010 609 V HN 0.042 nan 8.190 nan 0.000 0.443 610 P HA 0.353 nan 4.420 nan 0.000 0.281 610 P C 0.175 177.355 177.300 -0.200 0.000 1.249 610 P CA -0.561 62.443 63.100 -0.161 0.000 0.810 610 P CB 2.100 33.687 31.700 -0.188 0.000 1.008 611 K N -0.130 120.154 120.400 -0.192 0.000 2.186 611 K HA 0.016 4.336 4.320 -0.000 0.000 0.202 611 K C 0.595 176.873 176.600 -0.537 0.000 1.052 611 K CA 0.743 56.805 56.287 -0.374 0.000 0.965 611 K CB 0.101 32.447 32.500 -0.256 0.000 0.746 611 K HN 0.591 nan 8.250 nan 0.000 0.457 612 H N -0.910 118.158 119.070 -0.003 0.000 2.622 612 H HA 0.392 4.948 4.556 -0.000 0.000 0.363 612 H C -1.147 174.164 175.328 -0.029 0.000 1.151 612 H CA -0.587 55.504 56.048 0.071 0.000 1.184 612 H CB 1.916 31.866 29.762 0.314 0.000 1.643 612 H HN -0.053 nan 8.280 nan 0.000 0.531 613 M N 1.706 121.325 119.600 0.031 0.000 2.284 613 M HA 0.546 5.026 4.480 -0.000 0.000 0.281 613 M C -1.755 174.585 176.300 0.067 0.000 1.083 613 M CA -0.238 55.045 55.300 -0.028 0.000 0.965 613 M CB 2.180 34.693 32.600 -0.144 0.000 1.717 613 M HN 0.730 nan 8.290 nan 0.000 0.479 614 A N 2.154 125.113 122.820 0.231 0.000 2.556 614 A HA 1.013 5.333 4.320 -0.000 0.000 0.294 614 A C -1.333 176.381 177.584 0.218 0.000 1.091 614 A CA -0.417 51.795 52.037 0.292 0.000 0.704 614 A CB 1.813 21.055 19.000 0.404 0.000 1.300 614 A HN 0.954 nan 8.150 nan 0.000 0.406 615 S N -0.064 115.777 115.700 0.235 0.000 2.548 615 S HA 0.660 5.130 4.470 -0.000 0.000 0.278 615 S C -1.548 173.274 174.600 0.369 0.000 1.150 615 S CA -0.546 57.817 58.200 0.271 0.000 0.907 615 S CB 1.087 64.388 63.200 0.168 0.000 1.108 615 S HN 2.039 nan 8.310 nan 0.000 0.459 616 L N 2.860 124.339 121.223 0.426 0.000 2.464 616 L HA 0.865 5.205 4.340 -0.000 0.000 0.266 616 L C -1.910 175.160 176.870 0.334 0.000 0.965 616 L CA -0.122 54.915 54.840 0.329 0.000 0.833 616 L CB 1.879 44.057 42.059 0.200 0.000 1.296 616 L HN 1.005 nan 8.230 nan 0.000 0.405 617 W N 6.217 127.505 121.300 -0.020 0.000 3.022 617 W HA 0.852 5.511 4.660 -0.000 0.000 0.335 617 W C -1.902 174.591 176.519 -0.043 0.000 1.133 617 W CA -0.442 56.814 57.345 -0.149 0.000 1.219 617 W CB 2.247 31.314 29.460 -0.654 0.000 1.409 617 W HN 0.941 nan 8.180 nan 0.000 0.507 618 A N 3.992 126.253 122.820 -0.932 0.000 2.572 618 A HA 0.715 5.035 4.320 -0.000 0.000 0.295 618 A C -1.828 175.346 177.584 -0.683 0.000 1.072 618 A CA -0.600 51.134 52.037 -0.506 0.000 0.691 618 A CB 2.035 20.907 19.000 -0.214 0.000 1.291 618 A HN 0.609 nan 8.150 nan 0.000 0.404 619 D N -0.950 119.363 120.400 -0.144 0.000 2.753 619 D HA 0.543 5.183 4.640 -0.000 0.000 0.224 619 D C -1.213 175.205 176.300 0.197 0.000 1.213 619 D CA -0.369 53.653 54.000 0.036 0.000 0.833 619 D CB 1.120 42.106 40.800 0.310 0.000 1.607 619 D HN 0.573 nan 8.370 nan 0.000 0.463 620 Y N 0.177 120.531 120.300 0.090 0.000 2.499 620 Y HA 0.671 5.221 4.550 -0.000 0.000 0.347 620 Y C -1.305 174.692 175.900 0.161 0.000 0.987 620 Y CA -0.374 57.775 58.100 0.082 0.000 1.044 620 Y CB 2.626 41.080 38.460 -0.010 0.000 1.245 620 Y HN 0.553 nan 8.280 nan 0.000 0.461 621 T N 6.280 120.528 114.554 -0.510 0.000 2.881 621 T HA 0.403 4.753 4.350 -0.000 0.000 0.290 621 T C -1.423 173.041 174.700 -0.394 0.000 1.000 621 T CA -0.473 61.491 62.100 -0.225 0.000 0.978 621 T CB 0.392 69.096 68.868 -0.274 0.000 0.997 621 T HN 0.326 nan 8.240 nan 0.000 0.443 622 F N 2.735 122.588 119.950 -0.162 0.000 2.421 622 F HA 0.432 4.959 4.527 -0.000 0.000 0.358 622 F C 0.634 176.366 175.800 -0.113 0.000 1.115 622 F CA -1.222 56.795 58.000 0.029 0.000 1.160 622 F CB 0.161 39.256 39.000 0.159 0.000 1.123 622 F HN 0.594 nan 8.300 nan 0.000 0.508 623 F N -0.222 119.776 119.950 0.081 0.000 2.383 623 F HA 0.115 4.642 4.527 -0.000 0.000 0.287 623 F C 0.793 176.637 175.800 0.073 0.000 1.069 623 F CA 0.360 58.382 58.000 0.037 0.000 1.402 623 F CB 0.129 39.106 39.000 -0.039 0.000 1.116 623 F HN 0.191 nan 8.300 nan 0.000 0.549 624 D N -0.208 120.368 120.400 0.294 0.000 2.308 624 D HA 0.544 5.183 4.640 -0.000 0.000 0.242 624 D C 0.410 176.840 176.300 0.216 0.000 1.059 624 D CA 0.559 54.679 54.000 0.200 0.000 0.830 624 D CB 1.483 42.368 40.800 0.141 0.000 1.161 624 D HN 0.339 nan 8.370 nan 0.000 0.494 625 G N 2.735 111.640 108.800 0.174 0.000 2.315 625 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.296 625 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.296 625 G C -2.192 172.788 174.900 0.133 0.000 1.289 625 G CA -0.731 44.471 45.100 0.171 0.000 0.996 625 G HN 0.312 nan 8.290 nan 0.000 0.487 626 P HA 0.223 nan 4.420 nan 0.000 0.221 626 P C 1.629 178.953 177.300 0.041 0.000 1.155 626 P CA 0.622 63.758 63.100 0.061 0.000 0.812 626 P CB 0.078 31.799 31.700 0.036 0.000 0.801 627 L N -0.282 120.944 121.223 0.005 0.000 2.645 627 L HA 0.117 4.457 4.340 -0.000 0.000 0.234 627 L C 0.621 177.504 176.870 0.021 0.000 1.165 627 L CA -0.370 54.393 54.840 -0.128 0.000 0.944 627 L CB -0.965 40.711 42.059 -0.638 0.000 1.149 627 L HN -0.024 nan 8.230 nan 0.000 0.446 628 S N 0.097 115.869 115.700 0.120 0.000 2.558 628 S HA 0.205 4.675 4.470 -0.000 0.000 0.293 628 S C 1.413 176.032 174.600 0.032 0.000 1.292 628 S CA 0.221 58.488 58.200 0.112 0.000 1.063 628 S CB 0.921 64.176 63.200 0.090 0.000 0.831 628 S HN 0.619 nan 8.310 nan 0.000 0.499 629 G N 1.471 110.226 108.800 -0.075 0.000 2.179 629 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.260 629 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.260 629 G C -0.073 174.782 174.900 -0.076 0.000 0.977 629 G CA 0.183 45.169 45.100 -0.190 0.000 0.641 629 G HN 0.897 nan 8.290 nan 0.000 0.533 630 L N 1.866 123.135 121.223 0.076 0.000 2.312 630 L HA 0.749 5.088 4.340 -0.000 0.000 0.281 630 L C -0.140 176.842 176.870 0.186 0.000 1.070 630 L CA 0.474 55.400 54.840 0.143 0.000 0.805 630 L CB 1.115 43.155 42.059 -0.031 0.000 1.174 630 L HN 0.104 nan 8.230 nan 0.000 0.434 631 T N 6.099 120.758 114.554 0.175 0.000 2.887 631 T HA 0.699 5.048 4.350 -0.000 0.000 0.288 631 T C -0.510 174.304 174.700 0.191 0.000 1.021 631 T CA -0.455 61.782 62.100 0.228 0.000 1.000 631 T CB 1.966 70.977 68.868 0.238 0.000 1.034 631 T HN 0.479 nan 8.240 nan 0.000 0.467 632 L N 1.503 122.867 121.223 0.234 0.000 2.464 632 L HA 0.823 5.163 4.340 -0.000 0.000 0.266 632 L C 0.095 177.008 176.870 0.073 0.000 0.965 632 L CA -0.801 54.124 54.840 0.141 0.000 0.833 632 L CB 2.391 44.556 42.059 0.177 0.000 1.296 632 L HN 0.845 nan 8.230 nan 0.000 0.405 633 G N 0.648 109.427 108.800 -0.034 0.000 2.659 633 G HA2 0.830 4.790 3.960 -0.000 0.000 0.296 633 G HA3 0.830 4.790 3.960 -0.000 0.000 0.296 633 G C -1.328 173.270 174.900 -0.504 0.000 1.369 633 G CA -0.379 44.516 45.100 -0.343 0.000 0.937 633 G HN 0.406 nan 8.290 nan 0.000 0.485 634 T N -1.076 112.928 114.554 -0.917 0.000 2.868 634 T HA 0.855 5.205 4.350 -0.000 0.000 0.306 634 T C -0.235 174.104 174.700 -0.602 0.000 1.224 634 T CA -0.338 61.463 62.100 -0.499 0.000 1.012 634 T CB 2.161 70.895 68.868 -0.223 0.000 1.221 634 T HN 1.501 nan 8.240 nan 0.000 0.499 635 G N -0.828 107.977 108.800 0.008 0.000 2.673 635 G HA2 0.670 4.630 3.960 -0.000 0.000 0.292 635 G HA3 0.670 4.630 3.960 -0.000 0.000 0.292 635 G C -1.183 173.935 174.900 0.364 0.000 1.450 635 G CA -0.455 44.829 45.100 0.305 0.000 0.837 635 G HN 0.962 nan 8.290 nan 0.000 0.505 636 G N -0.051 108.977 108.800 0.379 0.000 2.687 636 G HA2 0.625 4.585 3.960 -0.000 0.000 0.301 636 G HA3 0.625 4.585 3.960 -0.000 0.000 0.301 636 G C -1.034 174.039 174.900 0.287 0.000 1.416 636 G CA -0.819 44.457 45.100 0.294 0.000 1.005 636 G HN 0.549 nan 8.290 nan 0.000 0.509 637 R N 1.078 121.689 120.500 0.185 0.000 2.337 637 R HA 0.344 4.683 4.340 -0.000 0.000 0.319 637 R C -1.324 175.020 176.300 0.073 0.000 0.954 637 R CA -0.766 55.379 56.100 0.075 0.000 0.840 637 R CB 1.819 32.065 30.300 -0.089 0.000 1.164 637 R HN 0.620 nan 8.270 nan 0.000 0.472 638 Y N 1.686 121.971 120.300 -0.025 0.000 2.320 638 Y HA 0.411 4.961 4.550 -0.000 0.000 0.334 638 Y C -0.669 175.114 175.900 -0.195 0.000 1.055 638 Y CA -0.286 57.762 58.100 -0.087 0.000 1.143 638 Y CB 1.611 40.060 38.460 -0.017 0.000 1.193 638 Y HN 0.459 nan 8.280 nan 0.000 0.477 639 T N 6.273 120.057 114.554 -1.285 0.000 2.833 639 T HA 0.452 4.802 4.350 -0.000 0.000 0.297 639 T C 0.307 174.137 174.700 -1.450 0.000 1.015 639 T CA -0.372 60.985 62.100 -1.239 0.000 0.963 639 T CB 0.744 68.802 68.868 -1.351 0.000 0.955 639 T HN 1.024 nan 8.240 nan 0.000 0.449 640 G N 2.466 110.674 108.800 -0.988 0.000 2.684 640 G HA2 0.395 4.355 3.960 -0.000 0.000 0.255 640 G HA3 0.395 4.355 3.960 -0.000 0.000 0.255 640 G C 0.499 175.217 174.900 -0.304 0.000 1.219 640 G CA -0.634 44.206 45.100 -0.433 0.000 0.901 640 G HN 0.797 nan 8.290 nan 0.000 0.548 641 S N -1.118 114.505 115.700 -0.127 0.000 2.596 641 S HA 0.577 5.047 4.470 -0.000 0.000 0.260 641 S C 0.329 174.825 174.600 -0.173 0.000 1.336 641 S CA 0.290 58.413 58.200 -0.129 0.000 0.993 641 S CB 1.152 64.293 63.200 -0.099 0.000 0.923 641 S HN 1.770 nan 8.310 nan 0.000 0.567 642 S N -0.776 114.795 115.700 -0.215 0.000 2.588 642 S HA 0.525 4.995 4.470 -0.000 0.000 0.269 642 S C -1.690 172.692 174.600 -0.363 0.000 1.157 642 S CA -1.030 57.021 58.200 -0.248 0.000 0.824 642 S CB 0.068 63.189 63.200 -0.132 0.000 1.126 642 S HN 0.622 nan 8.310 nan 0.000 0.464 643 Y N 0.931 121.107 120.300 -0.206 0.000 2.319 643 Y HA 0.523 5.073 4.550 -0.000 0.000 0.328 643 Y C 1.728 177.332 175.900 -0.493 0.000 1.133 643 Y CA 0.598 58.498 58.100 -0.332 0.000 1.265 643 Y CB 1.030 39.334 38.460 -0.259 0.000 1.218 643 Y HN 1.002 nan 8.280 nan 0.000 0.508 644 G N 1.073 109.365 108.800 -0.846 0.000 2.813 644 G HA2 0.083 4.043 3.960 -0.000 0.000 0.209 644 G HA3 0.083 4.043 3.960 -0.000 0.000 0.209 644 G C -0.595 173.853 174.900 -0.754 0.000 1.150 644 G CA 0.451 44.855 45.100 -1.161 0.000 0.785 644 G HN 0.731 nan 8.290 nan 0.000 0.535 645 D N -3.009 117.067 120.400 -0.540 0.000 2.639 645 D HA 0.269 4.909 4.640 -0.000 0.000 0.271 645 D C -2.321 173.816 176.300 -0.271 0.000 1.254 645 D CA -1.505 52.304 54.000 -0.319 0.000 0.810 645 D CB 1.219 41.900 40.800 -0.197 0.000 1.351 645 D HN -0.140 nan 8.370 nan 0.000 0.427 646 P HA -0.026 nan 4.420 nan 0.000 0.226 646 P C 0.824 177.876 177.300 -0.413 0.000 1.153 646 P CA 0.882 63.657 63.100 -0.542 0.000 0.777 646 P CB 0.085 31.135 31.700 -1.083 0.000 0.794 647 A N -0.270 122.470 122.820 -0.133 0.000 2.251 647 A HA 0.085 4.405 4.320 -0.000 0.000 0.209 647 A C 0.648 178.202 177.584 -0.051 0.000 1.187 647 A CA 0.149 52.239 52.037 0.088 0.000 0.823 647 A CB -1.111 17.978 19.000 0.149 0.000 0.846 647 A HN 0.083 nan 8.150 nan 0.000 0.486 648 N N -0.591 118.010 118.700 -0.165 0.000 2.708 648 N HA -0.183 4.557 4.740 -0.000 0.000 0.249 648 N C 0.930 176.458 175.510 0.030 0.000 1.097 648 N CA 1.109 54.030 53.050 -0.216 0.000 0.710 648 N CB -1.863 36.234 38.487 -0.649 0.000 1.032 648 N HN 0.676 nan 8.380 nan 0.000 0.551 649 S N -1.067 114.671 115.700 0.062 0.000 2.561 649 S HA 0.156 4.626 4.470 -0.000 0.000 0.225 649 S C 0.321 175.088 174.600 0.278 0.000 0.977 649 S CA 0.337 58.630 58.200 0.155 0.000 0.926 649 S CB -0.286 63.013 63.200 0.165 0.000 0.769 649 S HN 0.505 nan 8.310 nan 0.000 0.533 650 F N -1.184 118.815 119.950 0.081 0.000 2.703 650 F HA 0.759 5.286 4.527 -0.000 0.000 0.308 650 F C -1.234 174.583 175.800 0.029 0.000 1.126 650 F CA -1.360 56.661 58.000 0.036 0.000 0.959 650 F CB 0.903 39.888 39.000 -0.026 0.000 1.297 650 F HN -0.262 nan 8.300 nan 0.000 0.441 651 K N 1.665 122.091 120.400 0.043 0.000 2.258 651 K HA 0.842 5.162 4.320 -0.000 0.000 0.236 651 K C -1.603 174.990 176.600 -0.012 0.000 1.008 651 K CA -1.374 54.803 56.287 -0.185 0.000 0.869 651 K CB 2.617 34.970 32.500 -0.245 0.000 1.171 651 K HN 0.508 nan 8.250 nan 0.000 0.447 652 V N 1.285 121.144 119.914 -0.092 0.000 2.448 652 V HA 0.319 4.438 4.120 -0.000 0.000 0.295 652 V C 0.293 176.405 176.094 0.031 0.000 1.025 652 V CA -1.010 61.305 62.300 0.026 0.000 0.859 652 V CB 1.482 33.324 31.823 0.031 0.000 0.988 652 V HN 0.927 nan 8.190 nan 0.000 0.431 653 G N 3.439 112.292 108.800 0.089 0.000 2.414 653 G HA2 0.295 4.255 3.960 -0.000 0.000 0.236 653 G HA3 0.295 4.255 3.960 -0.000 0.000 0.236 653 G C 0.550 175.535 174.900 0.141 0.000 1.293 653 G CA 0.381 45.544 45.100 0.104 0.000 0.869 653 G HN 0.990 nan 8.290 nan 0.000 0.556 654 S N 0.956 116.686 115.700 0.049 0.000 2.589 654 S HA 0.588 5.058 4.470 -0.000 0.000 0.265 654 S C -0.312 174.301 174.600 0.022 0.000 1.342 654 S CA 0.138 58.277 58.200 -0.102 0.000 1.005 654 S CB 0.567 63.745 63.200 -0.036 0.000 0.909 654 S HN 1.257 nan 8.310 nan 0.000 0.555 655 Y N -2.954 117.227 120.300 -0.198 0.000 2.656 655 Y HA 0.724 5.274 4.550 -0.000 0.000 0.334 655 Y C -0.910 174.896 175.900 -0.158 0.000 1.179 655 Y CA -1.168 56.826 58.100 -0.177 0.000 1.050 655 Y CB 0.965 39.184 38.460 -0.402 0.000 1.308 655 Y HN 0.603 nan 8.280 nan 0.000 0.456 656 T N 2.257 116.900 114.554 0.148 0.000 2.879 656 T HA 0.621 4.971 4.350 -0.000 0.000 0.290 656 T C -1.320 173.491 174.700 0.184 0.000 0.993 656 T CA -0.655 61.550 62.100 0.174 0.000 0.975 656 T CB 1.460 70.478 68.868 0.249 0.000 0.981 656 T HN 0.618 nan 8.240 nan 0.000 0.439 657 V N 3.668 123.680 119.914 0.163 0.000 2.555 657 V HA 0.642 4.762 4.120 -0.000 0.000 0.302 657 V C -0.265 175.938 176.094 0.182 0.000 1.038 657 V CA -0.781 61.624 62.300 0.176 0.000 0.887 657 V CB 1.978 33.892 31.823 0.152 0.000 0.991 657 V HN 0.686 nan 8.190 nan 0.000 0.434 658 V N 3.191 123.198 119.914 0.154 0.000 2.555 658 V HA 0.579 4.699 4.120 -0.000 0.000 0.302 658 V C -0.827 175.305 176.094 0.063 0.000 1.038 658 V CA -0.596 61.766 62.300 0.104 0.000 0.887 658 V CB 1.974 33.798 31.823 0.002 0.000 0.991 658 V HN 0.871 nan 8.190 nan 0.000 0.434 659 D N 2.427 122.926 120.400 0.165 0.000 2.457 659 D HA 0.822 5.461 4.640 -0.000 0.000 0.240 659 D C -0.262 176.164 176.300 0.211 0.000 1.041 659 D CA -0.115 54.012 54.000 0.212 0.000 0.861 659 D CB 2.499 43.520 40.800 0.368 0.000 1.394 659 D HN 0.764 nan 8.370 nan 0.000 0.473 660 A N 0.830 123.748 122.820 0.163 0.000 2.479 660 A HA 0.813 5.133 4.320 -0.000 0.000 0.296 660 A C -1.633 176.039 177.584 0.147 0.000 1.121 660 A CA -0.619 51.480 52.037 0.103 0.000 0.743 660 A CB 1.675 20.671 19.000 -0.008 0.000 1.323 660 A HN 0.406 nan 8.150 nan 0.000 0.415 661 L N 0.308 121.578 121.223 0.079 0.000 2.513 661 L HA 0.747 5.086 4.340 -0.000 0.000 0.261 661 L C -1.845 174.982 176.870 -0.072 0.000 0.945 661 L CA -0.302 54.522 54.840 -0.025 0.000 0.848 661 L CB 2.173 44.301 42.059 0.115 0.000 1.334 661 L HN 0.529 nan 8.230 nan 0.000 0.407 662 V N 5.082 124.904 119.914 -0.154 0.000 2.488 662 V HA 0.641 4.761 4.120 -0.000 0.000 0.293 662 V C -0.543 175.489 176.094 -0.104 0.000 1.027 662 V CA -0.498 61.750 62.300 -0.086 0.000 0.862 662 V CB 1.602 33.386 31.823 -0.066 0.000 1.008 662 V HN 0.866 nan 8.190 nan 0.000 0.428 663 R N 3.806 124.282 120.500 -0.041 0.000 2.670 663 R HA 0.614 4.954 4.340 -0.000 0.000 0.289 663 R C -2.214 174.152 176.300 0.111 0.000 0.965 663 R CA -0.649 55.444 56.100 -0.011 0.000 0.899 663 R CB 2.254 32.515 30.300 -0.065 0.000 1.173 663 R HN 0.631 nan 8.270 nan 0.000 0.456 664 Y N 2.699 122.973 120.300 -0.043 0.000 2.327 664 Y HA 0.218 4.767 4.550 -0.000 0.000 0.325 664 Y C -0.949 174.942 175.900 -0.016 0.000 0.999 664 Y CA -1.079 57.002 58.100 -0.031 0.000 1.195 664 Y CB 1.218 39.657 38.460 -0.036 0.000 1.132 664 Y HN 0.805 nan 8.280 nan 0.000 0.455 665 D N 4.268 124.415 120.400 -0.421 0.000 2.472 665 D HA 0.083 4.722 4.640 -0.000 0.000 0.237 665 D C 0.275 176.220 176.300 -0.591 0.000 1.141 665 D CA 0.512 54.288 54.000 -0.373 0.000 0.875 665 D CB 0.889 41.513 40.800 -0.294 0.000 1.192 665 D HN 0.748 nan 8.370 nan 0.000 0.450 666 L N 3.397 124.457 121.223 -0.271 0.000 2.791 666 L HA 0.257 4.597 4.340 -0.000 0.000 0.239 666 L C 1.780 178.582 176.870 -0.114 0.000 1.203 666 L CA -0.271 54.470 54.840 -0.166 0.000 1.002 666 L CB -0.146 41.926 42.059 0.021 0.000 1.295 666 L HN 0.533 nan 8.230 nan 0.000 0.504 667 A N 0.632 123.358 122.820 -0.156 0.000 1.972 667 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 667 A C 2.361 179.914 177.584 -0.053 0.000 1.169 667 A CA 1.045 53.030 52.037 -0.086 0.000 0.635 667 A CB -0.156 18.791 19.000 -0.087 0.000 0.810 667 A HN 0.369 nan 8.150 nan 0.000 0.446 668 R N 0.278 120.737 120.500 -0.068 0.000 2.096 668 R HA -0.160 4.179 4.340 -0.000 0.000 0.229 668 R C 2.087 178.408 176.300 0.035 0.000 1.134 668 R CA 1.935 58.039 56.100 0.007 0.000 0.917 668 R CB -2.129 28.214 30.300 0.071 0.000 0.832 668 R HN 0.733 nan 8.270 nan 0.000 0.430 669 V N -1.799 118.151 119.914 0.061 0.000 2.982 669 V HA 0.123 4.242 4.120 -0.000 0.000 0.265 669 V C 1.491 177.605 176.094 0.034 0.000 1.122 669 V CA 1.735 64.073 62.300 0.064 0.000 1.143 669 V CB -0.755 31.125 31.823 0.096 0.000 0.726 669 V HN 0.629 nan 8.190 nan 0.000 0.507 670 G N -0.923 107.887 108.800 0.016 0.000 2.227 670 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.168 670 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.168 670 G C -0.093 174.804 174.900 -0.005 0.000 1.006 670 G CA -0.010 45.095 45.100 0.008 0.000 0.684 670 G HN 0.452 nan 8.290 nan 0.000 0.489 671 M N 1.550 121.143 119.600 -0.012 0.000 2.046 671 M HA 0.635 5.114 4.480 -0.000 0.000 0.309 671 M C 0.258 176.539 176.300 -0.033 0.000 0.935 671 M CA -0.394 54.890 55.300 -0.028 0.000 0.915 671 M CB 1.848 34.428 32.600 -0.034 0.000 1.474 671 M HN 0.344 nan 8.290 nan 0.000 0.415 672 A N 1.795 124.595 122.820 -0.033 0.000 2.304 672 A HA 0.774 5.094 4.320 -0.000 0.000 0.271 672 A C 1.207 178.770 177.584 -0.035 0.000 1.091 672 A CA 0.658 52.673 52.037 -0.035 0.000 0.812 672 A CB 0.232 19.218 19.000 -0.023 0.000 1.056 672 A HN 1.177 nan 8.150 nan 0.000 0.489 673 G N 0.272 109.053 108.800 -0.033 0.000 2.435 673 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.245 673 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.245 673 G C 0.718 175.600 174.900 -0.030 0.000 1.073 673 G CA 0.740 45.825 45.100 -0.025 0.000 0.638 673 G HN 1.323 nan 8.290 nan 0.000 0.521 674 S N 1.756 117.438 115.700 -0.030 0.000 2.632 674 S HA 0.624 5.094 4.470 -0.000 0.000 0.267 674 S C 0.174 174.761 174.600 -0.023 0.000 1.276 674 S CA 0.161 58.355 58.200 -0.010 0.000 0.998 674 S CB 1.447 64.700 63.200 0.087 0.000 0.953 674 S HN 1.199 nan 8.310 nan 0.000 0.547 675 N N -1.308 117.363 118.700 -0.049 0.000 3.127 675 N HA 0.360 5.100 4.740 -0.000 0.000 0.239 675 N C -2.156 173.313 175.510 -0.068 0.000 1.407 675 N CA -0.625 52.398 53.050 -0.044 0.000 0.891 675 N CB 1.039 39.498 38.487 -0.046 0.000 1.447 675 N HN 0.364 nan 8.380 nan 0.000 0.507 676 V N -0.304 119.615 119.914 0.008 0.000 2.769 676 V HA 0.917 5.037 4.120 -0.000 0.000 0.312 676 V C -0.241 175.856 176.094 0.004 0.000 1.061 676 V CA -0.484 61.820 62.300 0.007 0.000 0.931 676 V CB 1.175 33.053 31.823 0.091 0.000 1.010 676 V HN 1.075 nan 8.190 nan 0.000 0.433 677 A N 4.018 126.822 122.820 -0.027 0.000 2.556 677 A HA 0.895 5.215 4.320 -0.000 0.000 0.294 677 A C -1.804 175.741 177.584 -0.064 0.000 1.091 677 A CA -0.527 51.468 52.037 -0.070 0.000 0.704 677 A CB 2.071 21.020 19.000 -0.085 0.000 1.300 677 A HN 0.731 nan 8.150 nan 0.000 0.406 678 L N 2.303 123.437 121.223 -0.149 0.000 2.441 678 L HA 0.557 4.896 4.340 -0.000 0.000 0.270 678 L C -1.560 175.203 176.870 -0.178 0.000 0.973 678 L CA -0.170 54.617 54.840 -0.090 0.000 0.842 678 L CB 1.186 43.207 42.059 -0.064 0.000 1.239 678 L HN 0.984 nan 8.230 nan 0.000 0.406 679 H N 2.800 121.855 119.070 -0.024 0.000 2.499 679 H HA 0.737 5.292 4.556 -0.000 0.000 0.340 679 H C -0.644 174.682 175.328 -0.003 0.000 1.148 679 H CA -0.454 55.591 56.048 -0.006 0.000 1.215 679 H CB 2.340 32.091 29.762 -0.019 0.000 1.529 679 H HN 0.298 nan 8.280 nan 0.000 0.510 680 V N 3.038 123.034 119.914 0.136 0.000 2.524 680 V HA 0.279 4.399 4.120 -0.000 0.000 0.297 680 V C -0.695 175.449 176.094 0.084 0.000 1.035 680 V CA -0.986 61.356 62.300 0.070 0.000 0.867 680 V CB 1.423 33.254 31.823 0.014 0.000 1.004 680 V HN 0.786 nan 8.190 nan 0.000 0.426 681 N N 3.217 121.958 118.700 0.068 0.000 2.405 681 N HA 0.504 5.243 4.740 -0.000 0.000 0.299 681 N C 0.240 175.782 175.510 0.054 0.000 1.075 681 N CA -0.579 52.517 53.050 0.077 0.000 0.884 681 N CB 0.805 39.334 38.487 0.070 0.000 1.194 681 N HN 0.721 nan 8.380 nan 0.000 0.491 682 N N 1.261 120.004 118.700 0.070 0.000 2.727 682 N HA -0.168 4.572 4.740 -0.000 0.000 0.251 682 N C 0.342 175.855 175.510 0.005 0.000 1.040 682 N CA 0.011 53.109 53.050 0.080 0.000 0.712 682 N CB -0.759 37.799 38.487 0.118 0.000 0.912 682 N HN 0.642 nan 8.380 nan 0.000 0.545 683 L N 0.346 121.500 121.223 -0.115 0.000 2.021 683 L HA -0.087 4.253 4.340 -0.000 0.000 0.215 683 L C 1.472 178.184 176.870 -0.262 0.000 1.074 683 L CA 2.124 56.797 54.840 -0.278 0.000 0.760 683 L CB -0.622 41.109 42.059 -0.546 0.000 0.889 683 L HN 0.377 nan 8.230 nan 0.000 0.433 684 F N 0.131 120.128 119.950 0.079 0.000 2.693 684 F HA 0.158 4.685 4.527 -0.000 0.000 0.303 684 F C 0.946 176.786 175.800 0.065 0.000 1.143 684 F CA -0.325 57.715 58.000 0.067 0.000 1.389 684 F CB -1.437 37.607 39.000 0.073 0.000 1.060 684 F HN 0.146 nan 8.300 nan 0.000 0.535 685 D N 1.703 122.198 120.400 0.159 0.000 2.720 685 D HA -0.291 4.349 4.640 -0.000 0.000 0.229 685 D C 0.613 176.994 176.300 0.135 0.000 1.198 685 D CA 0.376 54.442 54.000 0.111 0.000 0.639 685 D CB -0.507 40.333 40.800 0.067 0.000 1.003 685 D HN 0.409 nan 8.370 nan 0.000 0.411 686 R N 1.063 121.687 120.500 0.207 0.000 2.590 686 R HA 0.203 4.543 4.340 -0.000 0.000 0.274 686 R C 0.082 176.499 176.300 0.194 0.000 1.061 686 R CA -0.155 56.087 56.100 0.237 0.000 1.081 686 R CB 0.657 31.153 30.300 0.327 0.000 0.984 686 R HN 0.321 nan 8.270 nan 0.000 0.448 687 E N 4.597 124.884 120.200 0.145 0.000 2.102 687 E HA 0.206 4.556 4.350 -0.000 0.000 0.263 687 E C -1.681 175.045 176.600 0.210 0.000 0.894 687 E CA -0.864 55.546 56.400 0.018 0.000 0.746 687 E CB 0.509 30.143 29.700 -0.110 0.000 1.129 687 E HN 0.656 nan 8.360 nan 0.000 0.416 688 Y N 1.060 121.468 120.300 0.180 0.000 2.615 688 Y HA 0.581 5.131 4.550 -0.000 0.000 0.341 688 Y C -1.142 174.888 175.900 0.217 0.000 1.089 688 Y CA -1.491 56.711 58.100 0.170 0.000 1.049 688 Y CB 0.868 39.271 38.460 -0.096 0.000 1.296 688 Y HN 0.130 nan 8.280 nan 0.000 0.470 689 V N 1.079 121.100 119.914 0.178 0.000 2.407 689 V HA 0.754 4.874 4.120 -0.000 0.000 0.278 689 V C 0.804 176.987 176.094 0.147 0.000 1.037 689 V CA 0.190 62.487 62.300 -0.005 0.000 0.900 689 V CB 0.583 32.265 31.823 -0.236 0.000 0.983 689 V HN 1.324 nan 8.190 nan 0.000 0.459 690 A N 4.686 127.596 122.820 0.151 0.000 1.933 690 A HA 0.281 4.600 4.320 -0.000 0.000 0.218 690 A C 1.328 179.088 177.584 0.293 0.000 1.175 690 A CA 1.621 53.810 52.037 0.253 0.000 0.628 690 A CB -0.514 18.639 19.000 0.254 0.000 0.814 690 A HN 2.204 nan 8.150 nan 0.000 0.444 691 S N -4.351 111.505 115.700 0.259 0.000 2.683 691 S HA 0.444 4.914 4.470 -0.000 0.000 0.264 691 S C -1.263 173.432 174.600 0.158 0.000 1.066 691 S CA -0.455 57.869 58.200 0.206 0.000 0.846 691 S CB 0.283 63.609 63.200 0.210 0.000 1.114 691 S HN 0.777 nan 8.310 nan 0.000 0.476 692 c N 1.657 120.289 118.600 0.054 0.000 2.686 692 c HA 0.685 5.255 4.570 -0.000 0.000 0.318 692 c C 0.538 174.569 174.090 -0.099 0.000 1.160 692 c CA -0.799 55.466 56.329 -0.107 0.000 1.396 692 c CB 0.524 42.997 42.510 -0.062 0.000 1.924 692 c HN 1.001 nan 8.230 nan 0.000 0.471 693 F N 0.825 120.632 119.950 -0.238 0.000 2.695 693 F HA 0.445 4.972 4.527 -0.000 0.000 0.303 693 F C 0.297 175.873 175.800 -0.373 0.000 1.091 693 F CA -0.198 57.649 58.000 -0.256 0.000 1.300 693 F CB -0.338 38.533 39.000 -0.216 0.000 1.071 693 F HN 0.706 nan 8.300 nan 0.000 0.578 694 N N -1.335 116.744 118.700 -1.036 0.000 3.501 694 N HA 0.023 4.763 4.740 -0.000 0.000 0.235 694 N C 0.588 175.681 175.510 -0.696 0.000 1.442 694 N CA 0.268 52.756 53.050 -0.936 0.000 0.872 694 N CB 0.651 38.247 38.487 -1.486 0.000 1.414 694 N HN -0.029 nan 8.380 nan 0.000 0.485 695 T N -1.518 112.764 114.554 -0.453 0.000 2.833 695 T HA -0.194 4.156 4.350 -0.000 0.000 0.269 695 T C 1.399 175.829 174.700 -0.449 0.000 1.054 695 T CA 1.614 63.494 62.100 -0.368 0.000 1.135 695 T CB -0.582 68.162 68.868 -0.208 0.000 0.869 695 T HN 0.596 nan 8.240 nan 0.000 0.466 696 Y N 0.338 120.383 120.300 -0.424 0.000 2.524 696 Y HA 0.708 5.258 4.550 -0.000 0.000 0.266 696 Y C 0.840 176.399 175.900 -0.569 0.000 1.180 696 Y CA -1.681 56.187 58.100 -0.387 0.000 1.244 696 Y CB -0.199 38.090 38.460 -0.285 0.000 1.125 696 Y HN 0.209 nan 8.280 nan 0.000 0.524 697 G N 0.760 108.899 108.800 -1.102 0.000 3.712 697 G HA2 0.486 4.446 3.960 -0.000 0.000 0.327 697 G HA3 0.486 4.446 3.960 -0.000 0.000 0.327 697 G C -1.363 172.857 174.900 -1.132 0.000 1.566 697 G CA -0.353 43.978 45.100 -1.281 0.000 0.953 697 G HN 0.261 nan 8.290 nan 0.000 0.488 698 c N 0.603 118.633 118.600 -0.949 0.000 2.667 698 c HA 0.858 5.428 4.570 -0.000 0.000 0.323 698 c C -0.912 172.563 174.090 -1.024 0.000 1.214 698 c CA -0.757 55.045 56.329 -0.879 0.000 1.721 698 c CB 1.084 43.292 42.510 -0.502 0.000 2.275 698 c HN 0.593 nan 8.230 nan 0.000 0.491 699 F N -0.230 119.687 119.950 -0.056 0.000 2.562 699 F HA 0.365 4.892 4.527 -0.000 0.000 0.319 699 F C -0.318 175.477 175.800 -0.010 0.000 1.154 699 F CA -0.661 57.360 58.000 0.035 0.000 0.931 699 F CB 0.539 39.613 39.000 0.124 0.000 1.198 699 F HN 0.617 nan 8.300 nan 0.000 0.444 700 W N 2.078 123.471 121.300 0.155 0.000 2.193 700 W HA 0.431 5.091 4.660 -0.000 0.000 0.338 700 W C 1.068 177.503 176.519 -0.140 0.000 1.310 700 W CA -0.178 57.144 57.345 -0.038 0.000 1.243 700 W CB 0.687 30.121 29.460 -0.043 0.000 1.165 700 W HN 0.736 nan 8.180 nan 0.000 0.566 701 G N 1.075 109.771 108.800 -0.173 0.000 2.611 701 G HA2 0.467 4.426 3.960 -0.000 0.000 0.273 701 G HA3 0.467 4.426 3.960 -0.000 0.000 0.273 701 G C -0.902 173.831 174.900 -0.279 0.000 1.305 701 G CA -0.671 44.112 45.100 -0.529 0.000 1.010 701 G HN 0.713 nan 8.290 nan 0.000 0.509 702 A N -0.266 122.461 122.820 -0.155 0.000 2.328 702 A HA 0.519 4.839 4.320 -0.000 0.000 0.284 702 A C 0.493 178.039 177.584 -0.063 0.000 1.160 702 A CA -0.447 51.557 52.037 -0.054 0.000 0.818 702 A CB 0.179 19.190 19.000 0.019 0.000 1.087 702 A HN 0.685 nan 8.150 nan 0.000 0.504 703 E N 1.759 121.914 120.200 -0.075 0.000 2.391 703 E HA 0.163 4.513 4.350 -0.000 0.000 0.255 703 E C 0.266 176.858 176.600 -0.013 0.000 1.187 703 E CA -0.793 55.571 56.400 -0.061 0.000 0.941 703 E CB 0.578 30.227 29.700 -0.086 0.000 1.010 703 E HN 0.619 nan 8.360 nan 0.000 0.458 704 R N 1.470 121.970 120.500 -0.000 0.000 2.583 704 R HA -0.102 4.238 4.340 -0.000 0.000 0.274 704 R C -0.534 175.764 176.300 -0.005 0.000 0.998 704 R CA 0.708 56.814 56.100 0.010 0.000 1.081 704 R CB 0.431 30.736 30.300 0.009 0.000 0.940 704 R HN 0.628 nan 8.270 nan 0.000 0.413 705 Q N 3.102 122.903 119.800 0.001 0.000 2.347 705 Q HA 0.428 4.768 4.340 -0.000 0.000 0.271 705 Q C -1.561 174.437 176.000 -0.003 0.000 1.064 705 Q CA -0.865 54.932 55.803 -0.010 0.000 0.800 705 Q CB 2.128 30.858 28.738 -0.014 0.000 1.304 705 Q HN 0.488 nan 8.270 nan 0.000 0.438 706 V N 0.729 120.634 119.914 -0.016 0.000 2.540 706 V HA 0.868 4.988 4.120 -0.000 0.000 0.302 706 V C -1.059 175.022 176.094 -0.023 0.000 1.035 706 V CA -0.540 61.755 62.300 -0.007 0.000 0.873 706 V CB 1.655 33.469 31.823 -0.015 0.000 0.992 706 V HN 0.524 nan 8.190 nan 0.000 0.428 707 V N 3.937 123.854 119.914 0.004 0.000 2.686 707 V HA 0.869 4.988 4.120 -0.000 0.000 0.306 707 V C 0.383 176.487 176.094 0.017 0.000 1.065 707 V CA -0.094 62.197 62.300 -0.016 0.000 0.894 707 V CB 1.895 33.700 31.823 -0.030 0.000 1.004 707 V HN 1.383 nan 8.190 nan 0.000 0.424 708 A N 3.055 125.864 122.820 -0.017 0.000 2.292 708 A HA 0.842 5.162 4.320 -0.000 0.000 0.319 708 A C -0.022 177.562 177.584 0.000 0.000 1.206 708 A CA -0.374 51.663 52.037 -0.001 0.000 0.835 708 A CB 0.793 19.788 19.000 -0.009 0.000 1.164 708 A HN 0.762 nan 8.150 nan 0.000 0.505 709 T N 1.849 116.407 114.554 0.007 0.000 2.881 709 T HA 0.618 4.968 4.350 -0.000 0.000 0.291 709 T C -0.344 174.305 174.700 -0.086 0.000 0.990 709 T CA -0.043 62.038 62.100 -0.031 0.000 0.976 709 T CB 1.510 70.361 68.868 -0.027 0.000 0.970 709 T HN 1.080 nan 8.240 nan 0.000 0.438 710 A N 2.585 125.322 122.820 -0.139 0.000 2.273 710 A HA 0.713 5.033 4.320 -0.000 0.000 0.315 710 A C 0.275 177.482 177.584 -0.629 0.000 1.256 710 A CA -0.721 51.090 52.037 -0.376 0.000 0.851 710 A CB 0.659 19.497 19.000 -0.269 0.000 1.172 710 A HN 0.706 nan 8.150 nan 0.000 0.508 711 T N 2.858 117.032 114.554 -0.633 0.000 2.833 711 T HA 0.648 4.997 4.350 -0.000 0.000 0.297 711 T C -1.270 173.137 174.700 -0.489 0.000 1.015 711 T CA -0.330 61.469 62.100 -0.502 0.000 0.963 711 T CB -0.461 68.261 68.868 -0.243 0.000 0.955 711 T HN 0.275 nan 8.240 nan 0.000 0.449 712 F N 3.758 123.621 119.950 -0.146 0.000 2.436 712 F HA 0.618 5.145 4.527 -0.000 0.000 0.340 712 F C 0.962 176.570 175.800 -0.319 0.000 1.113 712 F CA -1.160 56.689 58.000 -0.253 0.000 1.022 712 F CB 1.468 40.288 39.000 -0.299 0.000 1.128 712 F HN 0.336 nan 8.300 nan 0.000 0.466 713 R N 3.261 123.651 120.500 -0.184 0.000 2.437 713 R HA 0.564 4.903 4.340 -0.000 0.000 0.310 713 R C -1.298 174.835 176.300 -0.279 0.000 0.955 713 R CA -0.630 55.375 56.100 -0.158 0.000 0.851 713 R CB 1.557 31.816 30.300 -0.067 0.000 1.161 713 R HN 0.450 nan 8.270 nan 0.000 0.446 714 F N 0.000 119.983 119.950 0.054 0.000 2.286 714 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 714 F CA 0.000 58.041 58.000 0.068 0.000 1.383 714 F CB 0.000 39.060 39.000 0.100 0.000 1.145 714 F HN 0.000 nan 8.300 nan 0.000 0.574