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 1k2y_1_X DATA FIRST_RESID 5 DATA SEQUENCE KAPTLPASIF RAYDIRGVVG DTLTAETAYW IGRAIGSESL ARGEPCVAVG DATA SEQUENCE RDGRLSGPEL VKQLIQGLVD CGCQVSDVGM VPTPVLYYAA NVLEGKSGVM DATA SEQUENCE LTGAHNPPDY NGFKIVVAGE TLANEQIQAL RERIEKNDLA SGVGSVEQVD DATA SEQUENCE ILPRYFKQIR DDIAMAKPMK VVVDCGNGVA GVIAPQLIEA LGCSVIPLYC DATA SEQUENCE EVDGNFPNHH PDPGKPENLK DLIAKVKAEN ADLGLAFDGD GDRVGVVTNT DATA SEQUENCE GTIIYPDRLL MLFAKDVVSR NPGADIIFDV KCTRRLIALI SGYGGRPVMW DATA SEQUENCE KTGHSLIKKK MKETGALLAG EMSGHVFFKE RWFGFDDGIY SAARLLEILS DATA SEQUENCE QDQRDSEHVF SAFPSDISTP EINITVTEDS KFAIIEALQR DAQWGEGNIT DATA SEQUENCE TLDGVRVDYP KGWGLVRASN TTPVLVLRFE ADTEEELERI KTVFRNQLKA DATA SEQUENCE VDSSLPVPF 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.399 176.600 -0.335 0.000 0.988 5 K CA 0.000 56.231 56.287 -0.093 0.000 0.838 5 K CB 0.000 32.451 32.500 -0.082 0.000 1.064 6 A N 3.759 126.150 122.820 -0.714 0.000 2.483 6 A HA 0.685 5.005 4.320 -0.001 0.000 0.238 6 A C -1.309 175.833 177.584 -0.736 0.000 1.070 6 A CA -0.346 50.844 52.037 -1.411 0.000 0.770 6 A CB -0.416 17.792 19.000 -1.320 0.000 1.008 6 A HN 0.713 nan 8.150 nan 0.000 0.497 7 P HA 0.265 nan 4.420 nan 0.000 0.279 7 P C -0.447 176.720 177.300 -0.221 0.000 1.282 7 P CA -0.274 62.647 63.100 -0.299 0.000 0.788 7 P CB 0.309 31.914 31.700 -0.160 0.000 1.139 8 T N 1.011 115.499 114.554 -0.110 0.000 2.749 8 T HA 0.388 4.737 4.350 -0.001 0.000 0.295 8 T C 0.246 174.943 174.700 -0.005 0.000 0.936 8 T CA -0.183 61.880 62.100 -0.061 0.000 1.060 8 T CB -0.231 68.614 68.868 -0.040 0.000 0.904 8 T HN 0.145 nan 8.240 nan 0.000 0.500 9 L N 5.232 126.475 121.223 0.033 0.000 2.334 9 L HA 0.526 4.865 4.340 -0.001 0.000 0.272 9 L C -1.740 175.210 176.870 0.133 0.000 1.020 9 L CA -2.455 52.456 54.840 0.117 0.000 0.812 9 L CB 1.078 43.277 42.059 0.233 0.000 1.264 9 L HN 0.401 nan 8.230 nan 0.000 0.439 10 P HA 0.099 nan 4.420 nan 0.000 0.271 10 P C 0.127 177.563 177.300 0.228 0.000 1.220 10 P CA -0.271 62.910 63.100 0.134 0.000 0.768 10 P CB 1.470 33.228 31.700 0.098 0.000 0.848 11 A N 3.570 126.493 122.820 0.171 0.000 2.019 11 A HA -0.155 4.164 4.320 -0.001 0.000 0.219 11 A C 2.166 179.910 177.584 0.267 0.000 1.164 11 A CA 1.773 53.937 52.037 0.212 0.000 0.644 11 A CB -1.238 17.809 19.000 0.078 0.000 0.805 11 A HN 0.656 nan 8.150 nan 0.000 0.449 12 S N 0.740 116.542 115.700 0.171 0.000 2.442 12 S HA -0.164 4.305 4.470 -0.001 0.000 0.236 12 S C 1.751 176.422 174.600 0.119 0.000 1.007 12 S CA 1.229 59.506 58.200 0.128 0.000 0.965 12 S CB -0.967 62.285 63.200 0.087 0.000 0.773 12 S HN 0.890 nan 8.310 nan 0.000 0.504 13 I N -2.894 117.736 120.570 0.099 0.000 2.928 13 I HA 0.302 4.472 4.170 -0.001 0.000 0.266 13 I C -0.258 175.765 176.117 -0.156 0.000 1.234 13 I CA 0.042 61.312 61.300 -0.051 0.000 1.483 13 I CB -0.444 37.456 38.000 -0.167 0.000 1.097 13 I HN 0.010 nan 8.210 nan 0.000 0.455 14 F N 3.874 123.857 119.950 0.056 0.000 2.405 14 F HA 0.455 4.982 4.527 -0.000 0.000 0.358 14 F C 0.922 176.740 175.800 0.030 0.000 1.151 14 F CA -0.443 57.583 58.000 0.042 0.000 1.161 14 F CB 0.240 39.251 39.000 0.018 0.000 1.245 14 F HN -0.051 nan 8.300 nan 0.000 0.545 15 R N 1.362 121.941 120.500 0.131 0.000 2.730 15 R HA 0.688 5.027 4.340 -0.001 0.000 0.228 15 R C 1.285 177.577 176.300 -0.014 0.000 1.312 15 R CA -0.431 55.709 56.100 0.067 0.000 1.093 15 R CB 0.136 30.480 30.300 0.073 0.000 1.583 15 R HN 0.537 nan 8.270 nan 0.000 0.535 16 A N 0.218 122.932 122.820 -0.176 0.000 1.933 16 A HA -0.148 4.172 4.320 -0.001 0.000 0.218 16 A C 0.944 178.200 177.584 -0.547 0.000 1.175 16 A CA 1.531 53.262 52.037 -0.511 0.000 0.628 16 A CB -0.355 18.067 19.000 -0.963 0.000 0.814 16 A HN 0.684 nan 8.150 nan 0.000 0.444 17 Y N -1.025 119.330 120.300 0.092 0.000 2.499 17 Y HA 0.279 4.829 4.550 -0.001 0.000 0.253 17 Y C -0.079 175.901 175.900 0.133 0.000 1.105 17 Y CA -0.796 57.363 58.100 0.099 0.000 1.240 17 Y CB 0.542 39.049 38.460 0.079 0.000 1.289 17 Y HN 0.529 nan 8.280 nan 0.000 0.534 18 D N -1.010 119.535 120.400 0.241 0.000 2.779 18 D HA 0.378 5.017 4.640 -0.001 0.000 0.331 18 D C -1.159 175.234 176.300 0.156 0.000 1.331 18 D CA -0.548 53.585 54.000 0.222 0.000 0.866 18 D CB 0.942 41.897 40.800 0.258 0.000 1.409 18 D HN -0.079 nan 8.370 nan 0.000 0.486 19 I N -0.529 120.136 120.570 0.159 0.000 2.509 19 I HA 0.583 4.752 4.170 -0.001 0.000 0.293 19 I C -0.308 175.898 176.117 0.150 0.000 1.020 19 I CA -0.784 60.554 61.300 0.063 0.000 1.088 19 I CB 1.959 39.921 38.000 -0.063 0.000 1.267 19 I HN 0.348 nan 8.210 nan 0.000 0.430 20 R N 3.780 124.331 120.500 0.084 0.000 2.604 20 R HA 0.778 5.118 4.340 -0.001 0.000 0.270 20 R C -1.368 174.983 176.300 0.085 0.000 1.052 20 R CA -0.491 55.680 56.100 0.119 0.000 0.902 20 R CB 2.427 32.821 30.300 0.156 0.000 1.233 20 R HN 0.838 nan 8.270 nan 0.000 0.455 21 G N 0.991 109.838 108.800 0.078 0.000 2.619 21 G HA2 0.451 4.411 3.960 -0.001 0.000 0.305 21 G HA3 0.451 4.411 3.960 -0.001 0.000 0.305 21 G C -1.840 172.987 174.900 -0.122 0.000 1.330 21 G CA -0.451 44.649 45.100 -0.001 0.000 0.789 21 G HN 0.348 nan 8.290 nan 0.000 0.487 22 V N 0.761 120.553 119.914 -0.203 0.000 2.384 22 V HA 0.410 4.530 4.120 -0.001 0.000 0.287 22 V C 0.335 176.335 176.094 -0.156 0.000 1.020 22 V CA -0.675 61.427 62.300 -0.330 0.000 0.850 22 V CB 1.316 32.886 31.823 -0.420 0.000 0.987 22 V HN 0.596 nan 8.190 nan 0.000 0.436 23 V N 5.042 124.883 119.914 -0.122 0.000 2.540 23 V HA 0.407 4.527 4.120 -0.001 0.000 0.297 23 V C 1.481 177.543 176.094 -0.053 0.000 1.024 23 V CA 1.622 63.886 62.300 -0.061 0.000 1.105 23 V CB 0.289 32.084 31.823 -0.047 0.000 0.938 23 V HN 1.289 nan 8.190 nan 0.000 0.482 24 G N 3.466 112.250 108.800 -0.027 0.000 2.195 24 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.246 24 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.246 24 G C 0.367 175.256 174.900 -0.020 0.000 0.984 24 G CA 0.588 45.676 45.100 -0.020 0.000 0.633 24 G HN 0.772 nan 8.290 nan 0.000 0.525 25 D N -0.659 119.722 120.400 -0.031 0.000 3.074 25 D HA 0.126 4.765 4.640 -0.001 0.000 0.227 25 D C 2.447 178.740 176.300 -0.011 0.000 1.553 25 D CA 2.216 56.200 54.000 -0.027 0.000 1.347 25 D CB -0.546 40.222 40.800 -0.054 0.000 1.021 25 D HN 0.383 nan 8.370 nan 0.000 0.260 26 T N -0.957 113.584 114.554 -0.021 0.000 3.065 26 T HA 0.258 4.607 4.350 -0.001 0.000 0.252 26 T C 0.461 175.175 174.700 0.023 0.000 1.099 26 T CA -0.149 61.954 62.100 0.005 0.000 1.063 26 T CB 0.480 69.347 68.868 -0.003 0.000 0.948 26 T HN 0.066 nan 8.240 nan 0.000 0.506 27 L N 2.924 124.156 121.223 0.015 0.000 2.376 27 L HA 0.671 5.010 4.340 -0.001 0.000 0.275 27 L C -0.243 176.658 176.870 0.052 0.000 0.987 27 L CA -0.265 54.606 54.840 0.052 0.000 0.828 27 L CB 1.846 43.934 42.059 0.048 0.000 1.249 27 L HN 0.396 nan 8.230 nan 0.000 0.409 28 T N 0.887 115.492 114.554 0.085 0.000 2.888 28 T HA 0.711 5.061 4.350 -0.001 0.000 0.288 28 T C 1.015 175.778 174.700 0.105 0.000 1.063 28 T CA -0.149 61.998 62.100 0.077 0.000 1.010 28 T CB 1.344 70.258 68.868 0.077 0.000 1.214 28 T HN 0.578 nan 8.240 nan 0.000 0.533 29 A N -0.062 122.808 122.820 0.082 0.000 1.940 29 A HA -0.081 4.239 4.320 -0.001 0.000 0.219 29 A C 2.181 179.841 177.584 0.127 0.000 1.176 29 A CA 2.126 54.217 52.037 0.089 0.000 0.631 29 A CB -1.192 17.839 19.000 0.051 0.000 0.814 29 A HN 1.015 nan 8.150 nan 0.000 0.446 30 E N -0.613 119.670 120.200 0.137 0.000 2.106 30 E HA -0.149 4.201 4.350 -0.001 0.000 0.192 30 E C 1.920 178.714 176.600 0.324 0.000 0.984 30 E CA 1.594 58.115 56.400 0.201 0.000 0.806 30 E CB -0.170 29.654 29.700 0.206 0.000 0.750 30 E HN 0.590 nan 8.360 nan 0.000 0.458 31 T N 0.806 115.520 114.554 0.266 0.000 2.684 31 T HA -0.170 4.180 4.350 -0.001 0.000 0.267 31 T C 1.968 176.808 174.700 0.233 0.000 1.036 31 T CA 1.426 63.687 62.100 0.268 0.000 1.148 31 T CB -0.451 68.530 68.868 0.188 0.000 0.863 31 T HN 0.342 nan 8.240 nan 0.000 0.436 32 A N 0.718 123.683 122.820 0.242 0.000 1.940 32 A HA -0.147 4.173 4.320 -0.001 0.000 0.219 32 A C 2.104 179.755 177.584 0.113 0.000 1.176 32 A CA 1.835 54.036 52.037 0.275 0.000 0.631 32 A CB -1.128 18.082 19.000 0.350 0.000 0.814 32 A HN 0.618 nan 8.150 nan 0.000 0.446 33 Y N -1.114 119.168 120.300 -0.031 0.000 2.097 33 Y HA -0.267 4.283 4.550 -0.001 0.000 0.282 33 Y C 2.096 177.824 175.900 -0.288 0.000 1.152 33 Y CA 2.077 60.041 58.100 -0.226 0.000 1.136 33 Y CB -0.523 37.689 38.460 -0.413 0.000 0.975 33 Y HN 0.442 nan 8.280 nan 0.000 0.498 34 W N 0.145 121.486 121.300 0.069 0.000 2.436 34 W HA -0.089 4.571 4.660 -0.001 0.000 0.284 34 W C 2.282 178.733 176.519 -0.114 0.000 1.225 34 W CA 1.012 58.344 57.345 -0.022 0.000 1.271 34 W CB -0.275 29.253 29.460 0.114 0.000 1.114 34 W HN 0.047 nan 8.180 nan 0.000 0.559 35 I N 0.108 120.687 120.570 0.015 0.000 2.226 35 I HA -0.198 3.971 4.170 -0.001 0.000 0.245 35 I C 2.702 178.693 176.117 -0.210 0.000 1.100 35 I CA 1.555 62.748 61.300 -0.178 0.000 1.374 35 I CB -1.155 36.494 38.000 -0.586 0.000 1.057 35 I HN 0.075 nan 8.210 nan 0.000 0.413 36 G N 0.766 109.427 108.800 -0.232 0.000 2.440 36 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.218 36 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.218 36 G C 1.786 176.554 174.900 -0.220 0.000 1.154 36 G CA 0.361 45.336 45.100 -0.208 0.000 0.767 36 G HN 0.166 nan 8.290 nan 0.000 0.552 37 R N 0.717 121.030 120.500 -0.312 0.000 2.096 37 R HA 0.020 4.359 4.340 -0.001 0.000 0.235 37 R C 2.917 179.187 176.300 -0.050 0.000 1.127 37 R CA 1.314 57.289 56.100 -0.208 0.000 0.968 37 R CB -1.016 29.186 30.300 -0.164 0.000 0.861 37 R HN 0.373 nan 8.270 nan 0.000 0.440 38 A N 0.921 123.737 122.820 -0.006 0.000 1.873 38 A HA -0.069 4.251 4.320 -0.001 0.000 0.215 38 A C 2.319 179.902 177.584 -0.002 0.000 1.186 38 A CA 0.993 53.044 52.037 0.023 0.000 0.616 38 A CB -0.426 18.608 19.000 0.056 0.000 0.823 38 A HN 0.178 nan 8.150 nan 0.000 0.442 39 I N -0.256 120.298 120.570 -0.027 0.000 2.226 39 I HA -0.187 3.982 4.170 -0.001 0.000 0.245 39 I C 2.689 178.796 176.117 -0.017 0.000 1.100 39 I CA 1.126 62.416 61.300 -0.017 0.000 1.374 39 I CB -0.600 37.384 38.000 -0.027 0.000 1.057 39 I HN 0.399 nan 8.210 nan 0.000 0.413 40 G N -0.013 108.765 108.800 -0.038 0.000 2.418 40 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.217 40 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.217 40 G C 1.758 176.646 174.900 -0.019 0.000 1.158 40 G CA 0.916 45.996 45.100 -0.033 0.000 0.771 40 G HN 0.350 nan 8.290 nan 0.000 0.545 41 S N 0.530 116.221 115.700 -0.014 0.000 2.359 41 S HA -0.128 4.341 4.470 -0.001 0.000 0.224 41 S C 2.201 176.802 174.600 0.001 0.000 1.035 41 S CA 1.640 59.839 58.200 -0.001 0.000 1.018 41 S CB -0.218 62.987 63.200 0.009 0.000 0.876 41 S HN 0.481 nan 8.310 nan 0.000 0.448 42 E N 1.437 121.639 120.200 0.003 0.000 2.072 42 E HA -0.061 4.289 4.350 -0.001 0.000 0.191 42 E C 2.185 178.788 176.600 0.006 0.000 0.985 42 E CA 1.245 57.650 56.400 0.007 0.000 0.801 42 E CB -0.564 29.144 29.700 0.013 0.000 0.750 42 E HN 0.306 nan 8.360 nan 0.000 0.452 43 S N -0.682 115.020 115.700 0.004 0.000 2.356 43 S HA -0.104 4.365 4.470 -0.001 0.000 0.223 43 S C 1.915 176.515 174.600 -0.000 0.000 1.032 43 S CA 1.265 59.467 58.200 0.003 0.000 1.005 43 S CB -0.356 62.845 63.200 0.001 0.000 0.867 43 S HN 0.347 nan 8.310 nan 0.000 0.449 44 L N 1.077 122.298 121.223 -0.002 0.000 2.079 44 L HA -0.104 4.235 4.340 -0.001 0.000 0.210 44 L C 2.860 179.730 176.870 -0.000 0.000 1.081 44 L CA 1.273 56.112 54.840 -0.002 0.000 0.752 44 L CB -0.619 41.439 42.059 -0.003 0.000 0.896 44 L HN 0.402 nan 8.230 nan 0.000 0.433 45 A N -0.192 122.629 122.820 0.001 0.000 1.972 45 A HA -0.135 4.185 4.320 -0.001 0.000 0.219 45 A C 2.112 179.697 177.584 0.002 0.000 1.169 45 A CA 1.123 53.161 52.037 0.002 0.000 0.635 45 A CB -0.323 18.679 19.000 0.003 0.000 0.810 45 A HN 0.329 nan 8.150 nan 0.000 0.446 46 R N -0.962 119.539 120.500 0.002 0.000 2.335 46 R HA 0.178 4.518 4.340 -0.001 0.000 0.223 46 R C 1.033 177.333 176.300 0.000 0.000 0.940 46 R CA 0.628 56.729 56.100 0.002 0.000 1.086 46 R CB -0.330 29.973 30.300 0.004 0.000 1.073 46 R HN 0.735 nan 8.270 nan 0.000 0.504 47 G N 1.907 110.706 108.800 -0.001 0.000 2.136 47 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.242 47 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.242 47 G C -0.204 174.694 174.900 -0.003 0.000 0.989 47 G CA 0.249 45.348 45.100 -0.002 0.000 0.682 47 G HN 0.344 nan 8.290 nan 0.000 0.522 48 E N 0.459 120.657 120.200 -0.003 0.000 2.255 48 E HA 0.552 4.902 4.350 -0.001 0.000 0.245 48 E C -1.172 175.425 176.600 -0.006 0.000 0.909 48 E CA -2.251 54.146 56.400 -0.005 0.000 0.747 48 E CB 1.563 31.261 29.700 -0.004 0.000 1.215 48 E HN 0.126 nan 8.360 nan 0.000 0.424 49 P HA 0.066 nan 4.420 nan 0.000 0.235 49 P C -0.147 177.147 177.300 -0.010 0.000 1.177 49 P CA -0.025 63.070 63.100 -0.008 0.000 0.785 49 P CB 0.300 31.995 31.700 -0.007 0.000 0.885 50 C N 1.261 120.554 119.300 -0.011 0.000 2.285 50 C HA 0.515 4.975 4.460 -0.001 0.000 0.335 50 C C 0.321 175.303 174.990 -0.013 0.000 1.267 50 C CA -0.338 58.672 59.018 -0.013 0.000 1.762 50 C CB 0.381 28.111 27.740 -0.016 0.000 2.365 50 C HN 0.003 nan 8.230 nan 0.000 0.527 51 V N 3.392 123.298 119.914 -0.013 0.000 2.577 51 V HA 0.686 4.805 4.120 -0.001 0.000 0.303 51 V C 0.276 176.364 176.094 -0.011 0.000 1.042 51 V CA -0.424 61.870 62.300 -0.009 0.000 0.872 51 V CB 1.605 33.426 31.823 -0.004 0.000 0.998 51 V HN 1.018 nan 8.190 nan 0.000 0.423 52 A N 4.238 127.050 122.820 -0.013 0.000 2.316 52 A HA 0.842 5.162 4.320 -0.001 0.000 0.284 52 A C -0.555 177.026 177.584 -0.005 0.000 1.115 52 A CA -0.385 51.642 52.037 -0.017 0.000 0.812 52 A CB 1.051 20.032 19.000 -0.032 0.000 1.064 52 A HN 0.816 nan 8.150 nan 0.000 0.489 53 V N 1.467 121.375 119.914 -0.010 0.000 2.623 53 V HA 0.732 4.851 4.120 -0.001 0.000 0.304 53 V C 0.517 176.598 176.094 -0.022 0.000 1.054 53 V CA 0.148 62.446 62.300 -0.002 0.000 0.882 53 V CB 1.825 33.653 31.823 0.008 0.000 1.002 53 V HN 1.345 nan 8.190 nan 0.000 0.424 54 G N 3.769 112.549 108.800 -0.034 0.000 2.658 54 G HA2 0.890 4.850 3.960 -0.001 0.000 0.292 54 G HA3 0.890 4.850 3.960 -0.001 0.000 0.292 54 G C -1.186 173.675 174.900 -0.065 0.000 1.320 54 G CA -0.931 44.133 45.100 -0.058 0.000 0.933 54 G HN 0.867 nan 8.290 nan 0.000 0.476 55 R N -0.776 119.680 120.500 -0.074 0.000 2.799 55 R HA 0.671 5.010 4.340 -0.001 0.000 0.270 55 R C -1.089 175.163 176.300 -0.079 0.000 1.010 55 R CA -0.836 55.214 56.100 -0.082 0.000 0.916 55 R CB 1.589 31.844 30.300 -0.075 0.000 1.228 55 R HN 0.554 nan 8.270 nan 0.000 0.469 56 D N 0.263 120.620 120.400 -0.072 0.000 2.507 56 D HA 0.199 4.839 4.640 -0.001 0.000 0.280 56 D C 0.704 176.980 176.300 -0.040 0.000 1.219 56 D CA -0.489 53.483 54.000 -0.047 0.000 1.085 56 D CB 0.065 40.854 40.800 -0.019 0.000 1.134 56 D HN 0.680 nan 8.370 nan 0.000 0.583 57 G N -1.219 107.571 108.800 -0.016 0.000 3.383 57 G HA2 0.084 4.044 3.960 -0.001 0.000 0.251 57 G HA3 0.084 4.044 3.960 -0.001 0.000 0.251 57 G C 0.362 175.210 174.900 -0.086 0.000 1.203 57 G CA -0.454 44.622 45.100 -0.039 0.000 0.852 57 G HN 0.186 nan 8.290 nan 0.000 0.531 58 R N -0.460 119.993 120.500 -0.078 0.000 2.679 58 R HA 0.306 4.645 4.340 -0.001 0.000 0.269 58 R C 1.286 177.509 176.300 -0.128 0.000 1.076 58 R CA -0.560 55.462 56.100 -0.129 0.000 1.160 58 R CB 0.911 31.170 30.300 -0.067 0.000 1.054 58 R HN 0.096 nan 8.270 nan 0.000 0.507 59 L N 0.805 121.936 121.223 -0.153 0.000 2.127 59 L HA -0.212 4.127 4.340 -0.001 0.000 0.211 59 L C 2.128 178.949 176.870 -0.081 0.000 1.089 59 L CA 1.619 56.389 54.840 -0.117 0.000 0.757 59 L CB -0.399 41.589 42.059 -0.119 0.000 0.899 59 L HN 0.730 nan 8.230 nan 0.000 0.434 60 S N -0.813 114.843 115.700 -0.074 0.000 2.562 60 S HA 0.039 4.508 4.470 -0.001 0.000 0.221 60 S C 1.953 176.517 174.600 -0.059 0.000 0.975 60 S CA 0.281 58.446 58.200 -0.058 0.000 0.918 60 S CB -0.190 62.978 63.200 -0.053 0.000 0.772 60 S HN 0.395 nan 8.310 nan 0.000 0.531 61 G N 3.220 111.978 108.800 -0.069 0.000 2.480 61 G HA2 -0.103 3.857 3.960 -0.001 0.000 0.216 61 G HA3 -0.103 3.857 3.960 -0.001 0.000 0.216 61 G C -0.689 174.180 174.900 -0.053 0.000 1.200 61 G CA 0.914 45.972 45.100 -0.070 0.000 0.782 61 G HN 0.507 nan 8.290 nan 0.000 0.554 62 P HA -0.069 nan 4.420 nan 0.000 0.215 62 P C 1.627 178.913 177.300 -0.022 0.000 1.153 62 P CA 1.595 64.675 63.100 -0.033 0.000 0.853 62 P CB 0.019 31.699 31.700 -0.033 0.000 0.788 63 E N -0.728 119.459 120.200 -0.021 0.000 2.047 63 E HA -0.165 4.184 4.350 -0.001 0.000 0.191 63 E C 1.740 178.344 176.600 0.006 0.000 0.987 63 E CA 0.998 57.394 56.400 -0.008 0.000 0.799 63 E CB -0.466 29.229 29.700 -0.009 0.000 0.752 63 E HN -0.018 nan 8.360 nan 0.000 0.449 64 L N 0.292 121.515 121.223 -0.000 0.000 2.109 64 L HA -0.098 4.241 4.340 -0.001 0.000 0.207 64 L C 2.378 179.269 176.870 0.037 0.000 1.086 64 L CA 0.898 55.752 54.840 0.025 0.000 0.760 64 L CB -0.708 41.349 42.059 -0.003 0.000 0.910 64 L HN 0.127 nan 8.230 nan 0.000 0.437 65 V N -0.559 119.355 119.914 0.001 0.000 2.427 65 V HA -0.290 3.829 4.120 -0.001 0.000 0.248 65 V C 2.713 178.823 176.094 0.027 0.000 1.051 65 V CA 1.678 63.984 62.300 0.010 0.000 1.048 65 V CB -0.093 31.719 31.823 -0.019 0.000 0.666 65 V HN 0.439 nan 8.190 nan 0.000 0.456 66 K N -0.269 120.142 120.400 0.018 0.000 2.063 66 K HA -0.191 4.129 4.320 -0.001 0.000 0.208 66 K C 2.170 178.795 176.600 0.042 0.000 1.048 66 K CA 1.692 57.991 56.287 0.020 0.000 0.928 66 K CB -0.283 32.222 32.500 0.010 0.000 0.713 66 K HN 0.421 nan 8.250 nan 0.000 0.442 67 Q N 0.026 119.863 119.800 0.063 0.000 2.079 67 Q HA -0.104 4.235 4.340 -0.001 0.000 0.200 67 Q C 2.078 178.133 176.000 0.092 0.000 0.974 67 Q CA 1.084 56.951 55.803 0.108 0.000 0.840 67 Q CB -0.520 28.291 28.738 0.121 0.000 0.898 67 Q HN 0.314 nan 8.270 nan 0.000 0.430 68 L N 0.597 121.876 121.223 0.093 0.000 2.012 68 L HA -0.129 4.211 4.340 -0.001 0.000 0.210 68 L C 2.088 178.962 176.870 0.007 0.000 1.073 68 L CA 1.556 56.444 54.840 0.081 0.000 0.748 68 L CB -0.670 41.507 42.059 0.196 0.000 0.891 68 L HN 0.120 nan 8.230 nan 0.000 0.431 69 I N -0.776 119.807 120.570 0.021 0.000 2.226 69 I HA -0.297 3.872 4.170 -0.001 0.000 0.245 69 I C 2.544 178.651 176.117 -0.016 0.000 1.100 69 I CA 1.389 62.689 61.300 0.000 0.000 1.374 69 I CB -0.274 37.730 38.000 0.007 0.000 1.057 69 I HN 0.409 nan 8.210 nan 0.000 0.413 70 Q N 1.095 120.901 119.800 0.011 0.000 2.119 70 Q HA -0.118 4.222 4.340 -0.001 0.000 0.201 70 Q C 2.110 178.080 176.000 -0.051 0.000 0.972 70 Q CA 1.978 57.803 55.803 0.038 0.000 0.847 70 Q CB -0.644 28.171 28.738 0.128 0.000 0.903 70 Q HN 0.479 nan 8.270 nan 0.000 0.433 71 G N 0.159 108.801 108.800 -0.262 0.000 2.418 71 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.217 71 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.217 71 G C 1.322 176.014 174.900 -0.348 0.000 1.158 71 G CA 0.902 45.575 45.100 -0.711 0.000 0.771 71 G HN 0.378 nan 8.290 nan 0.000 0.545 72 L N 0.097 121.208 121.223 -0.188 0.000 2.027 72 L HA -0.068 4.271 4.340 -0.001 0.000 0.206 72 L C 2.994 179.817 176.870 -0.078 0.000 1.074 72 L CA 0.458 55.234 54.840 -0.108 0.000 0.745 72 L CB -0.513 41.510 42.059 -0.060 0.000 0.898 72 L HN 0.077 nan 8.230 nan 0.000 0.433 73 V N -0.229 119.649 119.914 -0.061 0.000 2.407 73 V HA -0.291 3.828 4.120 -0.001 0.000 0.248 73 V C 1.779 177.854 176.094 -0.031 0.000 1.055 73 V CA 1.836 64.116 62.300 -0.033 0.000 1.049 73 V CB -0.535 31.278 31.823 -0.015 0.000 0.662 73 V HN 0.433 nan 8.190 nan 0.000 0.455 74 D N -1.110 119.262 120.400 -0.046 0.000 2.378 74 D HA -0.085 4.555 4.640 -0.001 0.000 0.222 74 D C 1.790 178.074 176.300 -0.028 0.000 0.980 74 D CA 0.829 54.815 54.000 -0.023 0.000 0.907 74 D CB -0.258 40.544 40.800 0.003 0.000 0.899 74 D HN 0.472 nan 8.370 nan 0.000 0.527 75 C N -0.923 118.349 119.300 -0.047 0.000 2.673 75 C HA 0.396 4.856 4.460 -0.001 0.000 0.264 75 C C 1.869 176.851 174.990 -0.014 0.000 1.304 75 C CA 0.425 59.426 59.018 -0.027 0.000 1.727 75 C CB -0.475 27.242 27.740 -0.038 0.000 1.932 75 C HN 0.518 nan 8.230 nan 0.000 0.563 76 G N -0.526 108.265 108.800 -0.015 0.000 2.148 76 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.203 76 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.203 76 G C 0.026 174.919 174.900 -0.012 0.000 0.993 76 G CA -0.036 45.059 45.100 -0.009 0.000 0.661 76 G HN 0.472 nan 8.290 nan 0.000 0.518 77 C N 0.687 119.976 119.300 -0.019 0.000 2.604 77 C HA 0.734 5.193 4.460 -0.001 0.000 0.396 77 C C 1.068 176.049 174.990 -0.015 0.000 1.282 77 C CA 0.746 59.754 59.018 -0.017 0.000 2.292 77 C CB 0.655 28.382 27.740 -0.023 0.000 2.633 77 C HN 1.073 nan 8.230 nan 0.000 0.620 78 Q N 1.759 121.552 119.800 -0.013 0.000 2.421 78 Q HA 0.528 4.867 4.340 -0.001 0.000 0.242 78 Q C -0.734 175.259 176.000 -0.012 0.000 1.024 78 Q CA -0.241 55.556 55.803 -0.011 0.000 0.891 78 Q CB 0.585 29.317 28.738 -0.010 0.000 1.222 78 Q HN 0.717 nan 8.270 nan 0.000 0.483 79 V N 2.039 121.945 119.914 -0.012 0.000 2.465 79 V HA 0.429 4.549 4.120 -0.001 0.000 0.279 79 V C 0.392 176.479 176.094 -0.012 0.000 1.045 79 V CA -0.542 61.751 62.300 -0.012 0.000 0.938 79 V CB 1.822 33.639 31.823 -0.011 0.000 0.986 79 V HN 0.847 nan 8.190 nan 0.000 0.467 80 S N 3.251 118.942 115.700 -0.014 0.000 2.423 80 S HA 0.207 4.676 4.470 -0.001 0.000 0.317 80 S C -0.286 174.305 174.600 -0.015 0.000 1.065 80 S CA -0.435 57.756 58.200 -0.015 0.000 1.111 80 S CB 0.355 63.543 63.200 -0.020 0.000 0.968 80 S HN 0.848 nan 8.310 nan 0.000 0.474 81 D N 3.099 123.491 120.400 -0.013 0.000 2.411 81 D HA 0.152 4.792 4.640 -0.001 0.000 0.225 81 D C 0.962 177.252 176.300 -0.017 0.000 1.156 81 D CA -0.667 53.325 54.000 -0.014 0.000 0.874 81 D CB 0.819 41.612 40.800 -0.011 0.000 1.034 81 D HN 0.318 nan 8.370 nan 0.000 0.502 82 V N 2.044 121.944 119.914 -0.023 0.000 3.649 82 V HA 0.442 4.562 4.120 -0.001 0.000 0.275 82 V C 1.282 177.356 176.094 -0.034 0.000 1.281 82 V CA 0.521 62.806 62.300 -0.026 0.000 1.143 82 V CB -0.819 30.985 31.823 -0.031 0.000 0.892 82 V HN 0.688 nan 8.190 nan 0.000 0.441 83 G N 1.052 109.832 108.800 -0.033 0.000 2.552 83 G HA2 -0.371 3.589 3.960 -0.001 0.000 0.265 83 G HA3 -0.371 3.589 3.960 -0.001 0.000 0.265 83 G C -0.071 174.799 174.900 -0.050 0.000 1.234 83 G CA 0.371 45.449 45.100 -0.037 0.000 0.944 83 G HN 0.766 nan 8.290 nan 0.000 0.568 84 M N 1.291 120.861 119.600 -0.050 0.000 2.220 84 M HA 0.501 4.981 4.480 -0.001 0.000 0.343 84 M C 0.323 176.581 176.300 -0.071 0.000 1.470 84 M CA -0.228 55.037 55.300 -0.058 0.000 1.161 84 M CB -0.089 32.481 32.600 -0.050 0.000 1.737 84 M HN 1.386 nan 8.290 nan 0.000 0.464 85 V N 3.281 123.140 119.914 -0.093 0.000 3.147 85 V HA 0.743 4.863 4.120 -0.001 0.000 0.306 85 V C -2.991 173.014 176.094 -0.148 0.000 1.209 85 V CA -2.248 59.976 62.300 -0.126 0.000 1.023 85 V CB 1.471 33.202 31.823 -0.152 0.000 1.059 85 V HN 0.623 nan 8.190 nan 0.000 0.435 86 P HA 0.227 nan 4.420 nan 0.000 0.268 86 P C 0.989 178.137 177.300 -0.254 0.000 1.208 86 P CA 0.383 63.373 63.100 -0.183 0.000 0.777 86 P CB 0.506 32.094 31.700 -0.187 0.000 0.875 87 T N 3.643 118.039 114.554 -0.264 0.000 2.653 87 T HA -0.114 4.236 4.350 -0.001 0.000 0.268 87 T C -0.738 173.511 174.700 -0.752 0.000 1.035 87 T CA 2.258 64.076 62.100 -0.470 0.000 1.154 87 T CB -1.667 66.959 68.868 -0.403 0.000 0.862 87 T HN 0.594 nan 8.240 nan 0.000 0.441 88 P HA 0.053 nan 4.420 nan 0.000 0.223 88 P C 1.475 178.582 177.300 -0.320 0.000 1.151 88 P CA 0.672 63.599 63.100 -0.287 0.000 0.787 88 P CB -0.174 31.685 31.700 0.266 0.000 0.788 89 V N 0.921 120.584 119.914 -0.420 0.000 2.453 89 V HA -0.151 3.968 4.120 -0.001 0.000 0.247 89 V C 2.641 178.583 176.094 -0.253 0.000 1.048 89 V CA 1.072 63.081 62.300 -0.484 0.000 1.049 89 V CB -1.113 30.344 31.823 -0.610 0.000 0.672 89 V HN 0.083 nan 8.190 nan 0.000 0.457 90 L N -0.219 120.828 121.223 -0.293 0.000 2.046 90 L HA -0.194 4.146 4.340 -0.001 0.000 0.208 90 L C 2.424 179.193 176.870 -0.168 0.000 1.077 90 L CA 2.307 57.021 54.840 -0.210 0.000 0.747 90 L CB -0.924 41.005 42.059 -0.216 0.000 0.896 90 L HN 0.387 nan 8.230 nan 0.000 0.432 91 Y N -1.441 118.616 120.300 -0.406 0.000 2.165 91 Y HA -0.370 4.179 4.550 -0.001 0.000 0.286 91 Y C 2.698 178.164 175.900 -0.723 0.000 1.155 91 Y CA 1.314 59.019 58.100 -0.657 0.000 1.164 91 Y CB -0.556 37.197 38.460 -1.178 0.000 0.978 91 Y HN 0.230 nan 8.280 nan 0.000 0.513 92 Y N 0.782 120.696 120.300 -0.644 0.000 2.097 92 Y HA -0.350 4.199 4.550 -0.001 0.000 0.282 92 Y C 2.484 178.202 175.900 -0.303 0.000 1.152 92 Y CA 1.225 59.080 58.100 -0.408 0.000 1.136 92 Y CB -0.757 37.658 38.460 -0.074 0.000 0.975 92 Y HN 0.062 nan 8.280 nan 0.000 0.498 93 A N 0.608 123.342 122.820 -0.144 0.000 1.917 93 A HA -0.195 4.125 4.320 -0.001 0.000 0.219 93 A C 2.329 179.791 177.584 -0.203 0.000 1.182 93 A CA 2.152 54.085 52.037 -0.173 0.000 0.633 93 A CB -1.583 17.378 19.000 -0.064 0.000 0.819 93 A HN 0.657 nan 8.150 nan 0.000 0.448 94 A N -0.942 121.779 122.820 -0.165 0.000 2.209 94 A HA -0.038 4.281 4.320 -0.001 0.000 0.212 94 A C 1.755 179.248 177.584 -0.151 0.000 1.158 94 A CA 1.130 53.094 52.037 -0.122 0.000 0.742 94 A CB -0.444 18.518 19.000 -0.063 0.000 0.790 94 A HN 0.640 nan 8.150 nan 0.000 0.472 95 N N -0.620 117.925 118.700 -0.259 0.000 2.454 95 N HA -0.017 4.723 4.740 -0.001 0.000 0.177 95 N C 1.536 176.875 175.510 -0.285 0.000 1.049 95 N CA 1.449 54.347 53.050 -0.253 0.000 0.887 95 N CB 0.595 38.868 38.487 -0.356 0.000 1.095 95 N HN 0.481 nan 8.380 nan 0.000 0.446 96 V N -1.361 118.294 119.914 -0.430 0.000 3.565 96 V HA 0.319 4.438 4.120 -0.001 0.000 0.260 96 V C 1.125 177.104 176.094 -0.192 0.000 1.231 96 V CA 0.071 62.167 62.300 -0.340 0.000 1.100 96 V CB -0.139 31.359 31.823 -0.541 0.000 0.807 96 V HN -0.071 nan 8.190 nan 0.000 0.454 97 L N 0.625 121.745 121.223 -0.171 0.000 2.490 97 L HA 0.328 4.667 4.340 -0.001 0.000 0.245 97 L C 1.991 178.820 176.870 -0.068 0.000 1.185 97 L CA 0.374 55.157 54.840 -0.097 0.000 0.813 97 L CB 0.343 42.353 42.059 -0.082 0.000 1.233 97 L HN 0.196 nan 8.230 nan 0.000 0.489 98 E N 0.236 120.408 120.200 -0.045 0.000 2.085 98 E HA -0.102 4.248 4.350 -0.001 0.000 0.194 98 E C 0.741 177.322 176.600 -0.032 0.000 0.994 98 E CA 0.908 57.288 56.400 -0.032 0.000 0.801 98 E CB 0.078 29.764 29.700 -0.023 0.000 0.743 98 E HN 0.761 nan 8.360 nan 0.000 0.453 99 G N -0.269 108.510 108.800 -0.034 0.000 2.504 99 G HA2 0.188 4.147 3.960 -0.001 0.000 0.288 99 G HA3 0.188 4.147 3.960 -0.001 0.000 0.288 99 G C -0.131 174.749 174.900 -0.035 0.000 1.182 99 G CA -0.478 44.605 45.100 -0.029 0.000 0.894 99 G HN 0.092 nan 8.290 nan 0.000 0.521 100 K N 0.023 120.408 120.400 -0.025 0.000 2.399 100 K HA 0.216 4.536 4.320 -0.001 0.000 0.204 100 K C 0.326 176.916 176.600 -0.016 0.000 1.023 100 K CA -0.008 56.265 56.287 -0.025 0.000 1.127 100 K CB 0.781 33.271 32.500 -0.016 0.000 0.856 100 K HN 0.269 nan 8.250 nan 0.000 0.514 101 S N 0.303 115.996 115.700 -0.012 0.000 2.593 101 S HA 0.711 5.181 4.470 -0.001 0.000 0.297 101 S C -0.040 174.563 174.600 0.004 0.000 1.112 101 S CA -0.752 57.448 58.200 0.001 0.000 1.043 101 S CB 1.908 65.111 63.200 0.005 0.000 1.054 101 S HN 0.371 nan 8.310 nan 0.000 0.516 102 G N 0.261 109.077 108.800 0.026 0.000 2.720 102 G HA2 0.591 4.550 3.960 -0.001 0.000 0.295 102 G HA3 0.591 4.550 3.960 -0.001 0.000 0.295 102 G C -1.934 173.010 174.900 0.073 0.000 1.437 102 G CA -0.453 44.669 45.100 0.037 0.000 0.886 102 G HN 0.636 nan 8.290 nan 0.000 0.509 103 V N 1.331 121.289 119.914 0.073 0.000 2.638 103 V HA 0.669 4.788 4.120 -0.001 0.000 0.306 103 V C -0.510 175.633 176.094 0.082 0.000 1.052 103 V CA -0.716 61.653 62.300 0.116 0.000 0.885 103 V CB 1.783 33.693 31.823 0.146 0.000 0.999 103 V HN 0.879 nan 8.190 nan 0.000 0.424 104 M N 5.834 125.483 119.600 0.082 0.000 2.167 104 M HA 0.615 5.095 4.480 -0.001 0.000 0.333 104 M C -1.314 174.966 176.300 -0.034 0.000 1.030 104 M CA -0.660 54.636 55.300 -0.006 0.000 0.963 104 M CB 1.294 33.853 32.600 -0.069 0.000 1.589 104 M HN 0.610 nan 8.290 nan 0.000 0.431 105 L N 5.628 126.786 121.223 -0.108 0.000 2.282 105 L HA 0.703 5.042 4.340 -0.001 0.000 0.287 105 L C -0.799 175.947 176.870 -0.206 0.000 1.075 105 L CA 0.700 55.378 54.840 -0.269 0.000 0.839 105 L CB 0.473 42.377 42.059 -0.260 0.000 1.219 105 L HN 0.884 nan 8.230 nan 0.000 0.434 106 T N 2.007 116.447 114.554 -0.190 0.000 2.932 106 T HA 0.546 4.896 4.350 -0.001 0.000 0.318 106 T C 0.469 175.142 174.700 -0.046 0.000 1.265 106 T CA -0.073 61.973 62.100 -0.090 0.000 1.036 106 T CB 1.376 70.217 68.868 -0.045 0.000 1.209 106 T HN 0.545 nan 8.240 nan 0.000 0.484 107 G N 1.336 110.139 108.800 0.005 0.000 3.337 107 G HA2 0.533 4.492 3.960 -0.001 0.000 0.246 107 G HA3 0.533 4.492 3.960 -0.001 0.000 0.246 107 G C 1.025 175.945 174.900 0.033 0.000 1.131 107 G CA 0.559 45.688 45.100 0.048 0.000 0.773 107 G HN 1.579 nan 8.290 nan 0.000 0.544 108 A N 1.115 123.973 122.820 0.063 0.000 5.195 108 A HA -0.333 3.986 4.320 -0.001 0.000 0.310 108 A C 1.652 179.287 177.584 0.085 0.000 1.951 108 A CA 1.809 53.917 52.037 0.119 0.000 0.714 108 A CB -1.649 17.506 19.000 0.258 0.000 1.301 108 A HN 1.134 nan 8.150 nan 0.000 0.369 109 H N 1.515 120.545 119.070 -0.068 0.000 2.586 109 H HA 0.376 4.931 4.556 -0.001 0.000 0.273 109 H C 0.508 175.717 175.328 -0.199 0.000 0.997 109 H CA 0.489 56.453 56.048 -0.140 0.000 1.177 109 H CB -0.967 28.748 29.762 -0.079 0.000 1.471 109 H HN 0.662 nan 8.280 nan 0.000 0.538 110 N N 2.416 120.751 118.700 -0.608 0.000 2.381 110 N HA 0.169 4.908 4.740 -0.001 0.000 0.254 110 N C -2.541 172.744 175.510 -0.376 0.000 1.264 110 N CA -1.234 51.433 53.050 -0.639 0.000 0.942 110 N CB 0.375 38.384 38.487 -0.796 0.000 1.190 110 N HN 0.105 nan 8.380 nan 0.000 0.495 111 P HA 0.020 nan 4.420 nan 0.000 0.269 111 P C -1.873 175.527 177.300 0.167 0.000 1.217 111 P CA -0.797 62.239 63.100 -0.106 0.000 0.783 111 P CB 0.066 31.872 31.700 0.176 0.000 0.898 112 P HA -0.218 nan 4.420 nan 0.000 0.217 112 P C 0.625 177.968 177.300 0.071 0.000 1.151 112 P CA 1.705 64.847 63.100 0.071 0.000 0.849 112 P CB -0.109 31.566 31.700 -0.042 0.000 0.787 113 D N -3.119 117.349 120.400 0.113 0.000 2.355 113 D HA -0.014 4.626 4.640 -0.001 0.000 0.218 113 D C 0.359 176.649 176.300 -0.016 0.000 1.004 113 D CA 0.391 54.402 54.000 0.018 0.000 0.880 113 D CB -0.358 40.420 40.800 -0.038 0.000 0.911 113 D HN 0.221 nan 8.370 nan 0.000 0.528 114 Y N 0.756 121.047 120.300 -0.014 0.000 2.304 114 Y HA 0.285 4.834 4.550 -0.001 0.000 0.327 114 Y C 1.153 177.032 175.900 -0.036 0.000 1.209 114 Y CA 0.093 58.181 58.100 -0.020 0.000 1.299 114 Y CB 0.717 39.160 38.460 -0.029 0.000 1.249 114 Y HN -0.227 nan 8.280 nan 0.000 0.519 115 N N -0.590 118.160 118.700 0.084 0.000 3.243 115 N HA 0.713 5.453 4.740 -0.001 0.000 0.280 115 N C -0.833 174.645 175.510 -0.053 0.000 1.545 115 N CA 0.102 53.139 53.050 -0.021 0.000 0.854 115 N CB 2.105 40.531 38.487 -0.102 0.000 1.612 115 N HN 0.817 nan 8.380 nan 0.000 0.577 116 G N -0.698 107.958 108.800 -0.239 0.000 2.317 116 G HA2 0.457 4.417 3.960 -0.001 0.000 0.293 116 G HA3 0.457 4.417 3.960 -0.001 0.000 0.293 116 G C -2.263 172.349 174.900 -0.480 0.000 1.287 116 G CA -0.642 44.347 45.100 -0.184 0.000 0.850 116 G HN 0.245 nan 8.290 nan 0.000 0.515 117 F N 0.537 120.507 119.950 0.033 0.000 2.557 117 F HA 0.585 5.112 4.527 -0.000 0.000 0.316 117 F C 0.200 176.048 175.800 0.080 0.000 1.141 117 F CA -0.766 57.258 58.000 0.041 0.000 0.922 117 F CB 2.716 41.727 39.000 0.018 0.000 1.194 117 F HN 0.134 nan 8.300 nan 0.000 0.443 118 K N 4.714 125.258 120.400 0.240 0.000 2.235 118 K HA 0.735 5.055 4.320 -0.001 0.000 0.266 118 K C -1.003 175.742 176.600 0.243 0.000 0.980 118 K CA -0.459 55.975 56.287 0.245 0.000 0.849 118 K CB 2.029 34.673 32.500 0.241 0.000 1.098 118 K HN 0.560 nan 8.250 nan 0.000 0.445 119 I N 2.829 123.532 120.570 0.222 0.000 2.498 119 I HA 0.332 4.502 4.170 -0.001 0.000 0.290 119 I C -0.784 175.412 176.117 0.132 0.000 1.032 119 I CA -1.246 60.157 61.300 0.170 0.000 1.073 119 I CB 2.081 40.170 38.000 0.148 0.000 1.251 119 I HN 0.179 nan 8.210 nan 0.000 0.426 120 V N 6.732 126.706 119.914 0.100 0.000 2.531 120 V HA 0.492 4.611 4.120 -0.001 0.000 0.301 120 V C -0.387 175.732 176.094 0.041 0.000 1.034 120 V CA -0.675 61.657 62.300 0.055 0.000 0.865 120 V CB 2.325 34.161 31.823 0.023 0.000 0.995 120 V HN 0.416 nan 8.190 nan 0.000 0.424 121 V N 3.503 123.436 119.914 0.033 0.000 2.483 121 V HA 0.687 4.806 4.120 -0.001 0.000 0.297 121 V C 0.619 176.721 176.094 0.014 0.000 1.027 121 V CA -0.137 62.177 62.300 0.024 0.000 0.855 121 V CB 1.391 33.231 31.823 0.028 0.000 0.995 121 V HN 1.357 nan 8.190 nan 0.000 0.424 122 A N 3.998 126.822 122.820 0.006 0.000 2.704 122 A HA 0.038 4.357 4.320 -0.001 0.000 0.299 122 A C 1.729 179.313 177.584 0.001 0.000 1.507 122 A CA 1.517 53.554 52.037 0.002 0.000 0.776 122 A CB -1.487 17.514 19.000 0.003 0.000 1.027 122 A HN 2.697 nan 8.150 nan 0.000 0.475 123 G N -3.876 104.923 108.800 -0.001 0.000 2.175 123 G HA2 0.438 4.398 3.960 -0.001 0.000 0.244 123 G HA3 0.438 4.398 3.960 -0.001 0.000 0.244 123 G C 0.278 175.176 174.900 -0.003 0.000 0.982 123 G CA 1.482 46.580 45.100 -0.004 0.000 0.641 123 G HN 2.658 nan 8.290 nan 0.000 0.527 124 E N -0.170 120.032 120.200 0.003 0.000 2.317 124 E HA 0.813 5.162 4.350 -0.001 0.000 0.270 124 E C 0.163 176.776 176.600 0.022 0.000 0.885 124 E CA 0.140 56.544 56.400 0.007 0.000 0.760 124 E CB 0.909 30.616 29.700 0.011 0.000 1.227 124 E HN 1.437 nan 8.360 nan 0.000 0.434 125 T N -0.585 113.985 114.554 0.027 0.000 2.868 125 T HA 0.655 5.005 4.350 -0.001 0.000 0.292 125 T C 0.530 175.281 174.700 0.085 0.000 1.028 125 T CA -0.569 61.567 62.100 0.061 0.000 1.059 125 T CB 0.055 68.962 68.868 0.064 0.000 0.991 125 T HN 0.518 nan 8.240 nan 0.000 0.531 126 L N 0.879 122.173 121.223 0.119 0.000 2.352 126 L HA 0.810 5.149 4.340 -0.001 0.000 0.269 126 L C 0.224 177.205 176.870 0.184 0.000 1.034 126 L CA -1.291 53.623 54.840 0.123 0.000 0.806 126 L CB 1.348 43.472 42.059 0.109 0.000 1.244 126 L HN 0.981 nan 8.230 nan 0.000 0.447 127 A N 0.991 123.909 122.820 0.162 0.000 2.572 127 A HA 0.632 4.951 4.320 -0.001 0.000 0.295 127 A C -0.229 177.399 177.584 0.073 0.000 1.072 127 A CA -0.592 51.563 52.037 0.197 0.000 0.691 127 A CB 1.439 20.640 19.000 0.335 0.000 1.291 127 A HN 0.832 nan 8.150 nan 0.000 0.404 128 N N -0.403 118.281 118.700 -0.027 0.000 1.414 128 N HA -0.395 4.345 4.740 -0.001 0.000 0.142 128 N C 1.476 176.982 175.510 -0.006 0.000 0.587 128 N CA 3.077 56.099 53.050 -0.046 0.000 1.068 128 N CB -1.213 37.256 38.487 -0.029 0.000 1.317 128 N HN 1.397 nan 8.380 nan 0.000 0.463 129 E N 1.303 121.503 120.200 -0.001 0.000 2.160 129 E HA -0.196 4.154 4.350 -0.001 0.000 0.195 129 E C 2.058 178.661 176.600 0.005 0.000 0.991 129 E CA 2.283 58.681 56.400 -0.004 0.000 0.810 129 E CB -0.775 28.922 29.700 -0.005 0.000 0.742 129 E HN 0.698 nan 8.360 nan 0.000 0.466 130 Q N -0.838 118.977 119.800 0.025 0.000 2.119 130 Q HA -0.004 4.335 4.340 -0.001 0.000 0.201 130 Q C 2.352 178.382 176.000 0.051 0.000 0.972 130 Q CA 1.245 57.070 55.803 0.036 0.000 0.847 130 Q CB -0.007 28.761 28.738 0.050 0.000 0.903 130 Q HN 0.512 nan 8.270 nan 0.000 0.433 131 I N 0.711 121.325 120.570 0.073 0.000 2.286 131 I HA -0.207 3.963 4.170 -0.001 0.000 0.245 131 I C 2.150 178.324 176.117 0.094 0.000 1.104 131 I CA 1.149 62.526 61.300 0.129 0.000 1.397 131 I CB -0.867 37.226 38.000 0.155 0.000 1.072 131 I HN 0.293 nan 8.210 nan 0.000 0.417 132 Q N 0.733 120.544 119.800 0.018 0.000 2.170 132 Q HA -0.108 4.232 4.340 -0.001 0.000 0.203 132 Q C 2.383 178.309 176.000 -0.123 0.000 0.976 132 Q CA 1.605 57.359 55.803 -0.082 0.000 0.858 132 Q CB -0.458 28.244 28.738 -0.061 0.000 0.907 132 Q HN 0.522 nan 8.270 nan 0.000 0.433 133 A N 0.858 123.644 122.820 -0.058 0.000 1.933 133 A HA -0.141 4.178 4.320 -0.001 0.000 0.218 133 A C 2.246 179.789 177.584 -0.069 0.000 1.175 133 A CA 1.018 53.022 52.037 -0.056 0.000 0.628 133 A CB -0.657 18.331 19.000 -0.021 0.000 0.814 133 A HN 0.321 nan 8.150 nan 0.000 0.444 134 L N -1.084 120.117 121.223 -0.037 0.000 2.017 134 L HA -0.205 4.135 4.340 -0.001 0.000 0.208 134 L C 2.785 179.578 176.870 -0.128 0.000 1.073 134 L CA 1.885 56.724 54.840 -0.001 0.000 0.745 134 L CB -0.561 41.582 42.059 0.141 0.000 0.894 134 L HN 0.476 nan 8.230 nan 0.000 0.432 135 R N 0.555 120.781 120.500 -0.457 0.000 2.083 135 R HA -0.225 4.114 4.340 -0.001 0.000 0.237 135 R C 2.442 178.503 176.300 -0.397 0.000 1.137 135 R CA 2.137 57.704 56.100 -0.889 0.000 0.951 135 R CB -0.285 29.187 30.300 -1.380 0.000 0.851 135 R HN 0.420 nan 8.270 nan 0.000 0.434 136 E N 1.349 121.386 120.200 -0.271 0.000 2.058 136 E HA -0.221 4.129 4.350 -0.001 0.000 0.194 136 E C 2.004 178.536 176.600 -0.113 0.000 0.997 136 E CA 1.562 57.864 56.400 -0.163 0.000 0.801 136 E CB -0.624 29.005 29.700 -0.118 0.000 0.746 136 E HN 0.554 nan 8.360 nan 0.000 0.450 137 R N -0.578 119.870 120.500 -0.086 0.000 2.117 137 R HA -0.086 4.253 4.340 -0.001 0.000 0.243 137 R C 2.556 178.831 176.300 -0.041 0.000 1.143 137 R CA 1.734 57.809 56.100 -0.043 0.000 0.968 137 R CB -0.560 29.733 30.300 -0.012 0.000 0.863 137 R HN 0.516 nan 8.270 nan 0.000 0.444 138 I N 0.247 120.782 120.570 -0.058 0.000 2.193 138 I HA -0.203 3.967 4.170 -0.001 0.000 0.240 138 I C 3.072 179.109 176.117 -0.133 0.000 1.084 138 I CA 1.526 62.784 61.300 -0.070 0.000 1.365 138 I CB -0.768 37.214 38.000 -0.030 0.000 1.064 138 I HN 0.323 nan 8.210 nan 0.000 0.410 139 E N 1.858 121.979 120.200 -0.131 0.000 2.108 139 E HA -0.307 4.043 4.350 -0.001 0.000 0.203 139 E C 2.027 178.565 176.600 -0.103 0.000 1.022 139 E CA 2.100 58.427 56.400 -0.122 0.000 0.823 139 E CB -0.817 28.811 29.700 -0.121 0.000 0.744 139 E HN 0.554 nan 8.360 nan 0.000 0.456 140 K N -0.500 119.849 120.400 -0.085 0.000 2.404 140 K HA 0.086 4.405 4.320 -0.001 0.000 0.194 140 K C 0.064 176.633 176.600 -0.053 0.000 1.023 140 K CA 0.313 56.562 56.287 -0.063 0.000 1.094 140 K CB 0.444 32.914 32.500 -0.051 0.000 0.841 140 K HN 0.313 nan 8.250 nan 0.000 0.523 141 N N 2.422 121.084 118.700 -0.063 0.000 2.735 141 N HA -0.185 4.555 4.740 -0.001 0.000 0.248 141 N C -0.737 174.774 175.510 0.001 0.000 1.083 141 N CA 0.979 54.008 53.050 -0.036 0.000 0.703 141 N CB -1.095 37.365 38.487 -0.044 0.000 1.005 141 N HN 0.327 nan 8.380 nan 0.000 0.550 142 D N 1.198 121.597 120.400 -0.003 0.000 2.563 142 D HA 0.414 5.054 4.640 -0.001 0.000 0.222 142 D C -0.400 175.914 176.300 0.024 0.000 1.145 142 D CA 0.007 54.011 54.000 0.006 0.000 1.001 142 D CB -0.117 40.678 40.800 -0.009 0.000 1.049 142 D HN 0.291 nan 8.370 nan 0.000 0.515 143 L N 1.386 122.636 121.223 0.046 0.000 2.401 143 L HA 0.697 5.036 4.340 -0.001 0.000 0.266 143 L C 0.294 177.197 176.870 0.055 0.000 0.991 143 L CA -1.403 53.476 54.840 0.065 0.000 0.818 143 L CB 1.974 44.112 42.059 0.132 0.000 1.321 143 L HN 0.142 nan 8.230 nan 0.000 0.413 144 A N 1.356 124.198 122.820 0.037 0.000 2.366 144 A HA 0.782 5.101 4.320 -0.001 0.000 0.249 144 A C 0.169 177.773 177.584 0.034 0.000 1.084 144 A CA 0.417 52.470 52.037 0.027 0.000 0.794 144 A CB 0.554 19.561 19.000 0.011 0.000 1.034 144 A HN 0.878 nan 8.150 nan 0.000 0.491 145 S N -0.481 115.238 115.700 0.030 0.000 2.619 145 S HA 0.741 5.211 4.470 -0.001 0.000 0.280 145 S C -0.101 174.511 174.600 0.020 0.000 1.150 145 S CA -0.025 58.195 58.200 0.034 0.000 0.978 145 S CB 1.254 64.484 63.200 0.050 0.000 1.041 145 S HN 2.093 nan 8.310 nan 0.000 0.485 146 G N -0.053 108.755 108.800 0.014 0.000 2.606 146 G HA2 0.607 4.566 3.960 -0.001 0.000 0.300 146 G HA3 0.607 4.566 3.960 -0.001 0.000 0.300 146 G C -1.743 173.161 174.900 0.006 0.000 1.360 146 G CA -0.354 44.751 45.100 0.009 0.000 0.783 146 G HN 1.114 nan 8.290 nan 0.000 0.484 147 V N 1.592 121.508 119.914 0.004 0.000 2.266 147 V HA 0.628 4.747 4.120 -0.001 0.000 0.271 147 V C 1.045 177.139 176.094 -0.001 0.000 1.032 147 V CA 0.196 62.498 62.300 0.003 0.000 0.806 147 V CB 0.325 32.151 31.823 0.004 0.000 1.052 147 V HN 1.070 nan 8.190 nan 0.000 0.449 148 G N 3.233 112.030 108.800 -0.004 0.000 2.509 148 G HA2 0.713 4.673 3.960 -0.001 0.000 0.269 148 G HA3 0.713 4.673 3.960 -0.001 0.000 0.269 148 G C -0.065 174.831 174.900 -0.006 0.000 1.416 148 G CA 0.208 45.303 45.100 -0.007 0.000 1.052 148 G HN 0.878 nan 8.290 nan 0.000 0.542 149 S N -2.779 112.916 115.700 -0.007 0.000 2.596 149 S HA 0.665 5.134 4.470 -0.001 0.000 0.270 149 S C -1.455 173.140 174.600 -0.007 0.000 1.155 149 S CA -0.710 57.487 58.200 -0.006 0.000 0.827 149 S CB 1.908 65.105 63.200 -0.005 0.000 1.130 149 S HN 0.830 nan 8.310 nan 0.000 0.467 150 V N 1.137 121.047 119.914 -0.006 0.000 2.588 150 V HA 0.663 4.783 4.120 -0.001 0.000 0.304 150 V C -0.556 175.534 176.094 -0.007 0.000 1.042 150 V CA -0.497 61.799 62.300 -0.007 0.000 0.877 150 V CB 1.544 33.364 31.823 -0.006 0.000 0.996 150 V HN 1.020 nan 8.190 nan 0.000 0.425 151 E N 3.007 123.203 120.200 -0.007 0.000 2.199 151 E HA 0.405 4.755 4.350 -0.001 0.000 0.265 151 E C -0.879 175.717 176.600 -0.007 0.000 0.882 151 E CA -0.638 55.758 56.400 -0.007 0.000 0.759 151 E CB 1.952 31.648 29.700 -0.007 0.000 1.148 151 E HN 0.748 nan 8.360 nan 0.000 0.412 152 Q N 3.053 122.849 119.800 -0.006 0.000 2.288 152 Q HA 0.328 4.668 4.340 -0.001 0.000 0.258 152 Q C -1.309 174.688 176.000 -0.004 0.000 0.957 152 Q CA -0.446 55.353 55.803 -0.007 0.000 0.919 152 Q CB 1.199 29.933 28.738 -0.007 0.000 1.185 152 Q HN 0.345 nan 8.270 nan 0.000 0.408 153 V N 3.813 123.725 119.914 -0.004 0.000 2.487 153 V HA 0.173 4.293 4.120 -0.001 0.000 0.298 153 V C -0.835 175.263 176.094 0.006 0.000 1.028 153 V CA -0.811 61.490 62.300 0.002 0.000 0.860 153 V CB 1.851 33.674 31.823 0.000 0.000 0.991 153 V HN 0.773 nan 8.190 nan 0.000 0.427 154 D N 3.411 123.820 120.400 0.015 0.000 2.485 154 D HA 0.310 4.949 4.640 -0.001 0.000 0.221 154 D C 0.350 176.677 176.300 0.045 0.000 1.112 154 D CA -0.180 53.831 54.000 0.018 0.000 0.911 154 D CB 1.242 42.048 40.800 0.011 0.000 1.019 154 D HN 0.451 nan 8.370 nan 0.000 0.516 155 I N 3.512 124.115 120.570 0.055 0.000 3.645 155 I HA 0.094 4.264 4.170 -0.001 0.000 0.300 155 I C 2.256 178.459 176.117 0.144 0.000 1.260 155 I CA 0.453 61.824 61.300 0.119 0.000 1.365 155 I CB 0.146 38.218 38.000 0.120 0.000 1.077 155 I HN 0.415 nan 8.210 nan 0.000 0.439 156 L N 0.523 121.793 121.223 0.078 0.000 2.046 156 L HA 0.031 4.371 4.340 -0.001 0.000 0.208 156 L C 0.213 177.185 176.870 0.170 0.000 1.077 156 L CA 2.260 57.157 54.840 0.095 0.000 0.747 156 L CB -3.178 38.900 42.059 0.032 0.000 0.896 156 L HN 0.229 nan 8.230 nan 0.000 0.432 157 P HA -0.145 nan 4.420 nan 0.000 0.217 157 P C 1.830 179.247 177.300 0.195 0.000 1.150 157 P CA 1.441 64.598 63.100 0.094 0.000 0.832 157 P CB -0.152 31.567 31.700 0.032 0.000 0.787 158 R N -1.247 119.378 120.500 0.208 0.000 2.073 158 R HA -0.200 4.140 4.340 -0.001 0.000 0.234 158 R C 2.389 178.838 176.300 0.248 0.000 1.134 158 R CA 1.422 57.677 56.100 0.260 0.000 0.952 158 R CB -1.037 29.454 30.300 0.318 0.000 0.850 158 R HN 0.128 nan 8.270 nan 0.000 0.433 159 Y N 0.233 120.528 120.300 -0.009 0.000 2.128 159 Y HA -0.286 4.264 4.550 -0.001 0.000 0.284 159 Y C 1.916 177.806 175.900 -0.018 0.000 1.154 159 Y CA 2.097 59.982 58.100 -0.357 0.000 1.149 159 Y CB -0.579 37.633 38.460 -0.414 0.000 0.976 159 Y HN 0.139 nan 8.280 nan 0.000 0.505 160 F N 1.247 121.231 119.950 0.057 0.000 2.095 160 F HA -0.248 4.279 4.527 -0.001 0.000 0.298 160 F C 2.591 178.369 175.800 -0.037 0.000 1.104 160 F CA 2.437 60.439 58.000 0.004 0.000 1.232 160 F CB -0.409 38.633 39.000 0.069 0.000 0.987 160 F HN 0.026 nan 8.300 nan 0.000 0.475 161 K N 0.056 120.633 120.400 0.296 0.000 2.057 161 K HA -0.263 4.057 4.320 -0.001 0.000 0.206 161 K C 2.213 178.862 176.600 0.082 0.000 1.050 161 K CA 1.562 57.967 56.287 0.196 0.000 0.935 161 K CB -0.326 32.294 32.500 0.200 0.000 0.715 161 K HN 0.381 nan 8.250 nan 0.000 0.439 162 Q N 0.972 120.827 119.800 0.090 0.000 2.096 162 Q HA -0.156 4.184 4.340 -0.001 0.000 0.204 162 Q C 1.873 177.918 176.000 0.074 0.000 0.982 162 Q CA 2.120 58.002 55.803 0.132 0.000 0.850 162 Q CB -0.085 28.792 28.738 0.232 0.000 0.901 162 Q HN 0.444 nan 8.270 nan 0.000 0.422 163 I N -0.274 120.252 120.570 -0.074 0.000 2.233 163 I HA -0.211 3.959 4.170 -0.001 0.000 0.243 163 I C 2.700 178.719 176.117 -0.165 0.000 1.093 163 I CA 1.046 62.259 61.300 -0.145 0.000 1.380 163 I CB -0.440 37.359 38.000 -0.334 0.000 1.067 163 I HN 0.246 nan 8.210 nan 0.000 0.413 164 R N 1.162 121.531 120.500 -0.218 0.000 2.096 164 R HA -0.203 4.136 4.340 -0.001 0.000 0.235 164 R C 1.600 177.847 176.300 -0.089 0.000 1.127 164 R CA 1.955 57.935 56.100 -0.200 0.000 0.968 164 R CB -0.249 29.915 30.300 -0.227 0.000 0.861 164 R HN 0.295 nan 8.270 nan 0.000 0.440 165 D N 0.113 120.492 120.400 -0.035 0.000 2.219 165 D HA -0.125 4.514 4.640 -0.001 0.000 0.205 165 D C 1.071 177.365 176.300 -0.011 0.000 0.970 165 D CA 1.204 55.203 54.000 -0.002 0.000 0.851 165 D CB -0.161 40.659 40.800 0.033 0.000 0.943 165 D HN 0.312 nan 8.370 nan 0.000 0.488 166 D N -0.909 119.480 120.400 -0.017 0.000 2.360 166 D HA 0.031 4.670 4.640 -0.001 0.000 0.210 166 D C -0.014 176.248 176.300 -0.063 0.000 1.047 166 D CA -0.040 53.949 54.000 -0.019 0.000 0.854 166 D CB 0.506 41.319 40.800 0.022 0.000 0.936 166 D HN -0.064 nan 8.370 nan 0.000 0.514 167 I N 1.455 121.966 120.570 -0.098 0.000 2.385 167 I HA 0.427 4.597 4.170 -0.001 0.000 0.294 167 I C 0.014 176.072 176.117 -0.098 0.000 0.988 167 I CA -0.754 60.465 61.300 -0.135 0.000 1.265 167 I CB 1.191 39.077 38.000 -0.190 0.000 1.388 167 I HN -0.104 nan 8.210 nan 0.000 0.480 168 A N 7.847 130.613 122.820 -0.090 0.000 2.802 168 A HA 0.570 4.889 4.320 -0.001 0.000 0.344 168 A C -0.030 177.516 177.584 -0.063 0.000 1.215 168 A CA -0.578 51.420 52.037 -0.065 0.000 0.821 168 A CB 0.226 19.195 19.000 -0.051 0.000 1.099 168 A HN 0.720 nan 8.150 nan 0.000 0.479 169 M N 1.240 120.802 119.600 -0.064 0.000 2.243 169 M HA 0.365 4.844 4.480 -0.001 0.000 0.341 169 M C 1.249 177.523 176.300 -0.042 0.000 1.130 169 M CA 0.330 55.597 55.300 -0.056 0.000 1.162 169 M CB 1.438 34.005 32.600 -0.055 0.000 1.497 169 M HN 0.697 nan 8.290 nan 0.000 0.456 170 A N 3.458 126.255 122.820 -0.039 0.000 2.134 170 A HA 0.179 4.498 4.320 -0.001 0.000 0.223 170 A C 0.308 177.875 177.584 -0.028 0.000 1.738 170 A CA 0.125 52.142 52.037 -0.033 0.000 0.722 170 A CB -0.006 18.974 19.000 -0.034 0.000 1.346 170 A HN 0.776 nan 8.150 nan 0.000 0.557 171 K N 1.591 121.973 120.400 -0.029 0.000 2.154 171 K HA 0.460 4.780 4.320 -0.001 0.000 0.264 171 K C -2.764 173.823 176.600 -0.022 0.000 1.008 171 K CA -1.504 54.769 56.287 -0.024 0.000 0.937 171 K CB 0.641 33.126 32.500 -0.025 0.000 1.002 171 K HN 0.171 nan 8.250 nan 0.000 0.469 172 P HA 0.129 nan 4.420 nan 0.000 0.275 172 P C -0.988 176.305 177.300 -0.012 0.000 1.228 172 P CA -0.181 62.910 63.100 -0.014 0.000 0.786 172 P CB 0.805 32.499 31.700 -0.010 0.000 0.927 173 M N 1.196 120.790 119.600 -0.009 0.000 2.446 173 M HA 0.368 4.848 4.480 -0.001 0.000 0.294 173 M C -0.136 176.163 176.300 -0.001 0.000 1.158 173 M CA -0.769 54.527 55.300 -0.006 0.000 0.899 173 M CB 3.334 35.930 32.600 -0.007 0.000 1.687 173 M HN 0.189 nan 8.290 nan 0.000 0.455 174 K N 2.341 122.741 120.400 0.001 0.000 2.240 174 K HA 0.643 4.962 4.320 -0.001 0.000 0.271 174 K C -1.714 174.889 176.600 0.005 0.000 1.018 174 K CA -0.423 55.866 56.287 0.003 0.000 0.874 174 K CB 1.000 33.500 32.500 0.001 0.000 1.098 174 K HN 0.553 nan 8.250 nan 0.000 0.458 175 V N 4.864 124.784 119.914 0.009 0.000 2.531 175 V HA 0.263 4.382 4.120 -0.001 0.000 0.301 175 V C -0.435 175.668 176.094 0.015 0.000 1.034 175 V CA -1.136 61.172 62.300 0.012 0.000 0.865 175 V CB 1.685 33.521 31.823 0.022 0.000 0.995 175 V HN 0.502 nan 8.190 nan 0.000 0.424 176 V N 5.411 125.328 119.914 0.006 0.000 2.488 176 V HA 0.290 4.410 4.120 -0.001 0.000 0.277 176 V C 0.069 176.178 176.094 0.025 0.000 1.046 176 V CA -0.224 62.078 62.300 0.005 0.000 0.986 176 V CB 1.394 33.210 31.823 -0.011 0.000 0.989 176 V HN 0.621 nan 8.190 nan 0.000 0.475 177 V N 4.434 124.380 119.914 0.053 0.000 2.326 177 V HA 0.352 4.471 4.120 -0.001 0.000 0.281 177 V C -0.316 175.859 176.094 0.135 0.000 1.015 177 V CA -0.511 61.864 62.300 0.126 0.000 0.823 177 V CB 1.606 33.535 31.823 0.177 0.000 1.009 177 V HN 0.895 nan 8.190 nan 0.000 0.436 178 D N 3.672 124.168 120.400 0.160 0.000 2.392 178 D HA 0.255 4.894 4.640 -0.001 0.000 0.228 178 D C 0.438 176.929 176.300 0.318 0.000 1.074 178 D CA -0.277 53.849 54.000 0.211 0.000 0.838 178 D CB 1.743 42.678 40.800 0.226 0.000 1.067 178 D HN 0.538 nan 8.370 nan 0.000 0.511 179 C N 2.381 121.862 119.300 0.303 0.000 2.791 179 C HA 0.348 4.808 4.460 -0.001 0.000 0.270 179 C C 1.693 176.821 174.990 0.231 0.000 1.257 179 C CA 0.073 59.268 59.018 0.294 0.000 1.699 179 C CB -0.906 26.945 27.740 0.185 0.000 1.904 179 C HN 0.889 nan 8.230 nan 0.000 0.603 180 G N 2.726 111.663 108.800 0.229 0.000 2.296 180 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.282 180 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.282 180 G C 0.315 175.242 174.900 0.046 0.000 1.014 180 G CA 0.693 45.794 45.100 0.001 0.000 0.812 180 G HN 0.627 nan 8.290 nan 0.000 0.508 181 N N -2.104 116.692 118.700 0.161 0.000 2.753 181 N HA -0.183 4.557 4.740 -0.001 0.000 0.251 181 N C 1.202 176.888 175.510 0.293 0.000 1.097 181 N CA 1.757 54.932 53.050 0.207 0.000 0.786 181 N CB -1.267 37.341 38.487 0.203 0.000 1.137 181 N HN 1.509 nan 8.380 nan 0.000 0.566 182 G N -0.306 108.647 108.800 0.253 0.000 2.525 182 G HA2 0.397 4.357 3.960 -0.001 0.000 0.287 182 G HA3 0.397 4.357 3.960 -0.001 0.000 0.287 182 G C 1.066 176.041 174.900 0.124 0.000 1.350 182 G CA 0.146 45.398 45.100 0.253 0.000 1.039 182 G HN 0.093 nan 8.290 nan 0.000 0.513 183 V N 0.387 120.348 119.914 0.078 0.000 2.970 183 V HA 0.018 4.138 4.120 -0.001 0.000 0.260 183 V C 2.857 178.929 176.094 -0.036 0.000 1.100 183 V CA 2.208 64.514 62.300 0.010 0.000 1.122 183 V CB -0.619 31.196 31.823 -0.014 0.000 0.721 183 V HN 0.795 nan 8.190 nan 0.000 0.483 184 A N 0.060 122.849 122.820 -0.052 0.000 2.125 184 A HA -0.031 4.289 4.320 -0.001 0.000 0.219 184 A C 2.270 179.765 177.584 -0.147 0.000 1.156 184 A CA 1.429 53.359 52.037 -0.179 0.000 0.671 184 A CB -1.015 17.774 19.000 -0.352 0.000 0.794 184 A HN 0.640 nan 8.150 nan 0.000 0.459 185 G N -0.012 108.760 108.800 -0.046 0.000 2.479 185 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.220 185 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.220 185 G C 1.468 176.356 174.900 -0.019 0.000 1.115 185 G CA 1.441 46.533 45.100 -0.013 0.000 0.757 185 G HN 1.037 nan 8.290 nan 0.000 0.560 186 V N -2.083 117.812 119.914 -0.031 0.000 2.970 186 V HA 0.263 4.383 4.120 -0.001 0.000 0.260 186 V C 1.914 178.007 176.094 -0.003 0.000 1.100 186 V CA 1.786 64.073 62.300 -0.022 0.000 1.122 186 V CB -0.033 31.770 31.823 -0.033 0.000 0.721 186 V HN 0.390 nan 8.190 nan 0.000 0.483 187 I N -1.825 118.740 120.570 -0.009 0.000 5.007 187 I HA 0.392 4.561 4.170 -0.001 0.000 0.323 187 I C 2.243 178.384 176.117 0.039 0.000 1.195 187 I CA 0.839 62.180 61.300 0.068 0.000 1.407 187 I CB 0.056 38.129 38.000 0.122 0.000 1.544 187 I HN 0.117 nan 8.210 nan 0.000 0.505 188 A N 2.645 125.394 122.820 -0.119 0.000 1.873 188 A HA -0.090 4.229 4.320 -0.001 0.000 0.218 188 A C -0.423 177.141 177.584 -0.033 0.000 1.193 188 A CA 2.331 54.247 52.037 -0.201 0.000 0.629 188 A CB -2.143 16.426 19.000 -0.719 0.000 0.826 188 A HN 0.378 nan 8.150 nan 0.000 0.447 189 P HA -0.141 nan 4.420 nan 0.000 0.217 189 P C 1.241 178.584 177.300 0.071 0.000 1.150 189 P CA 1.547 64.679 63.100 0.054 0.000 0.832 189 P CB -0.113 31.615 31.700 0.047 0.000 0.787 190 Q N -0.870 118.990 119.800 0.100 0.000 2.046 190 Q HA -0.107 4.233 4.340 -0.001 0.000 0.200 190 Q C 2.124 178.285 176.000 0.268 0.000 0.975 190 Q CA 1.010 56.918 55.803 0.175 0.000 0.836 190 Q CB -1.344 27.503 28.738 0.181 0.000 0.896 190 Q HN 0.128 nan 8.270 nan 0.000 0.428 191 L N 0.430 121.798 121.223 0.241 0.000 2.017 191 L HA -0.131 4.208 4.340 -0.001 0.000 0.208 191 L C 1.895 178.712 176.870 -0.089 0.000 1.073 191 L CA 1.671 56.460 54.840 -0.085 0.000 0.745 191 L CB -0.470 41.461 42.059 -0.213 0.000 0.894 191 L HN 0.261 nan 8.230 nan 0.000 0.432 192 I N -0.467 120.095 120.570 -0.014 0.000 2.226 192 I HA -0.304 3.866 4.170 -0.001 0.000 0.245 192 I C 2.523 178.642 176.117 0.003 0.000 1.100 192 I CA 1.633 62.929 61.300 -0.007 0.000 1.374 192 I CB -0.350 37.677 38.000 0.045 0.000 1.057 192 I HN 0.444 nan 8.210 nan 0.000 0.413 193 E N 1.330 121.551 120.200 0.035 0.000 2.077 193 E HA -0.252 4.098 4.350 -0.001 0.000 0.193 193 E C 2.250 178.873 176.600 0.038 0.000 0.989 193 E CA 1.419 57.843 56.400 0.040 0.000 0.800 193 E CB -0.079 29.655 29.700 0.057 0.000 0.746 193 E HN 0.473 nan 8.360 nan 0.000 0.452 194 A N 0.748 123.604 122.820 0.060 0.000 2.019 194 A HA -0.119 4.200 4.320 -0.001 0.000 0.219 194 A C 2.121 179.694 177.584 -0.018 0.000 1.164 194 A CA 1.017 53.093 52.037 0.064 0.000 0.644 194 A CB -0.554 18.543 19.000 0.162 0.000 0.805 194 A HN 0.342 nan 8.150 nan 0.000 0.449 195 L N -1.958 119.226 121.223 -0.066 0.000 2.376 195 L HA 0.092 4.432 4.340 -0.001 0.000 0.219 195 L C 1.813 178.656 176.870 -0.045 0.000 1.133 195 L CA 0.835 55.626 54.840 -0.081 0.000 0.816 195 L CB -0.215 41.780 42.059 -0.107 0.000 0.933 195 L HN 0.595 nan 8.230 nan 0.000 0.449 196 G N -2.074 106.713 108.800 -0.022 0.000 2.370 196 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.174 196 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.174 196 G C 0.135 175.030 174.900 -0.008 0.000 1.002 196 G CA -0.288 44.804 45.100 -0.013 0.000 0.730 196 G HN 0.215 nan 8.290 nan 0.000 0.497 197 C N 0.883 120.180 119.300 -0.006 0.000 2.422 197 C HA 0.782 5.242 4.460 -0.001 0.000 0.364 197 C C 1.271 176.266 174.990 0.008 0.000 1.251 197 C CA 0.060 59.077 59.018 -0.000 0.000 2.441 197 C CB 1.369 29.110 27.740 0.002 0.000 2.393 197 C HN 0.520 nan 8.230 nan 0.000 0.606 198 S N 0.627 116.331 115.700 0.007 0.000 2.457 198 S HA 0.580 5.049 4.470 -0.001 0.000 0.289 198 S C -0.682 173.925 174.600 0.013 0.000 1.163 198 S CA -0.370 57.836 58.200 0.009 0.000 1.078 198 S CB 0.324 63.527 63.200 0.005 0.000 0.987 198 S HN 0.511 nan 8.310 nan 0.000 0.482 199 V N 6.561 126.485 119.914 0.017 0.000 2.513 199 V HA 0.526 4.646 4.120 -0.001 0.000 0.299 199 V C -0.332 175.770 176.094 0.013 0.000 1.035 199 V CA -0.678 61.635 62.300 0.022 0.000 0.889 199 V CB 1.687 33.530 31.823 0.034 0.000 0.988 199 V HN 0.825 nan 8.190 nan 0.000 0.440 200 I N 7.111 127.686 120.570 0.009 0.000 2.371 200 I HA 0.352 4.522 4.170 -0.001 0.000 0.282 200 I C -2.332 173.778 176.117 -0.011 0.000 1.031 200 I CA -1.793 59.503 61.300 -0.006 0.000 1.180 200 I CB 2.008 40.000 38.000 -0.013 0.000 1.336 200 I HN 0.446 nan 8.210 nan 0.000 0.467 201 P HA 0.302 nan 4.420 nan 0.000 0.280 201 P C -0.967 176.280 177.300 -0.089 0.000 1.244 201 P CA -0.231 62.856 63.100 -0.020 0.000 0.784 201 P CB 1.392 33.089 31.700 -0.005 0.000 0.913 202 L N 4.767 125.920 121.223 -0.117 0.000 2.376 202 L HA 0.351 4.690 4.340 -0.001 0.000 0.275 202 L C -0.017 176.708 176.870 -0.241 0.000 0.987 202 L CA -0.891 53.728 54.840 -0.368 0.000 0.828 202 L CB 1.024 42.836 42.059 -0.412 0.000 1.249 202 L HN 0.466 nan 8.230 nan 0.000 0.409 203 Y N 1.182 121.504 120.300 0.037 0.000 3.305 203 Y HA -0.316 4.234 4.550 -0.001 0.000 0.212 203 Y C 1.383 177.306 175.900 0.038 0.000 1.248 203 Y CA -0.274 57.836 58.100 0.017 0.000 1.359 203 Y CB -2.038 36.397 38.460 -0.042 0.000 1.407 203 Y HN 0.621 nan 8.280 nan 0.000 0.572 204 C N -0.181 119.189 119.300 0.116 0.000 2.594 204 C HA 0.172 4.631 4.460 -0.001 0.000 0.265 204 C C 1.781 176.815 174.990 0.074 0.000 1.351 204 C CA 0.736 59.809 59.018 0.090 0.000 1.744 204 C CB -1.129 26.645 27.740 0.056 0.000 1.890 204 C HN 0.655 nan 8.230 nan 0.000 0.551 205 E N 0.879 121.127 120.200 0.080 0.000 2.324 205 E HA 0.396 4.746 4.350 -0.001 0.000 0.271 205 E C -0.242 176.392 176.600 0.058 0.000 1.028 205 E CA -0.016 56.418 56.400 0.056 0.000 0.890 205 E CB 0.269 30.000 29.700 0.051 0.000 1.004 205 E HN 0.341 nan 8.360 nan 0.000 0.431 206 V N 3.830 123.764 119.914 0.033 0.000 2.450 206 V HA 0.278 4.397 4.120 -0.001 0.000 0.281 206 V C -0.098 175.988 176.094 -0.012 0.000 1.019 206 V CA 0.181 62.495 62.300 0.023 0.000 1.062 206 V CB 0.721 32.546 31.823 0.003 0.000 0.979 206 V HN 0.867 nan 8.190 nan 0.000 0.477 207 D N 3.896 124.276 120.400 -0.032 0.000 2.365 207 D HA 0.290 4.929 4.640 -0.001 0.000 0.235 207 D C 0.961 177.063 176.300 -0.330 0.000 1.368 207 D CA -0.059 53.871 54.000 -0.118 0.000 1.001 207 D CB 1.609 42.374 40.800 -0.058 0.000 1.364 207 D HN 0.474 nan 8.370 nan 0.000 0.577 208 G N 2.716 111.262 108.800 -0.424 0.000 2.586 208 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.215 208 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.215 208 G C 1.128 175.520 174.900 -0.847 0.000 1.128 208 G CA 0.115 44.757 45.100 -0.764 0.000 0.774 208 G HN 0.475 nan 8.290 nan 0.000 0.543 209 N N 0.547 118.958 118.700 -0.482 0.000 2.494 209 N HA -0.033 4.706 4.740 -0.001 0.000 0.182 209 N C -0.003 175.399 175.510 -0.180 0.000 1.076 209 N CA 0.072 52.954 53.050 -0.280 0.000 0.908 209 N CB -0.107 38.303 38.487 -0.129 0.000 0.967 209 N HN 0.217 nan 8.380 nan 0.000 0.449 210 F N 0.313 120.230 119.950 -0.054 0.000 2.694 210 F HA -0.155 4.371 4.527 -0.001 0.000 0.215 210 F C -1.306 174.488 175.800 -0.009 0.000 1.032 210 F CA -0.405 57.563 58.000 -0.053 0.000 0.871 210 F CB -1.599 37.340 39.000 -0.101 0.000 0.776 210 F HN 0.198 nan 8.300 nan 0.000 0.850 211 P HA -0.043 nan 4.420 nan 0.000 0.236 211 P C 0.215 177.497 177.300 -0.031 0.000 1.177 211 P CA 1.044 64.164 63.100 0.033 0.000 0.773 211 P CB 0.435 32.138 31.700 0.005 0.000 0.878 212 N N -0.765 117.851 118.700 -0.141 0.000 2.909 212 N HA 0.204 4.943 4.740 -0.001 0.000 0.326 212 N C 0.044 175.406 175.510 -0.246 0.000 1.368 212 N CA -0.706 52.137 53.050 -0.346 0.000 0.797 212 N CB -0.331 37.595 38.487 -0.934 0.000 1.150 212 N HN 0.090 nan 8.380 nan 0.000 0.550 213 H N -0.518 118.389 119.070 -0.272 0.000 2.790 213 H HA 0.206 4.762 4.556 -0.001 0.000 0.358 213 H C -0.510 174.805 175.328 -0.022 0.000 1.103 213 H CA -0.131 55.834 56.048 -0.138 0.000 1.426 213 H CB 0.116 29.806 29.762 -0.120 0.000 1.424 213 H HN 0.346 nan 8.280 nan 0.000 0.599 214 H N 2.260 121.343 119.070 0.022 0.000 2.771 214 H HA 0.102 4.658 4.556 -0.001 0.000 0.364 214 H C -1.898 173.401 175.328 -0.048 0.000 1.133 214 H CA -2.208 53.739 56.048 -0.168 0.000 1.423 214 H CB 0.395 30.064 29.762 -0.154 0.000 1.425 214 H HN 0.679 nan 8.280 nan 0.000 0.606 215 P HA 0.069 nan 4.420 nan 0.000 0.237 215 P C -0.654 176.655 177.300 0.015 0.000 1.788 215 P CA -0.001 63.069 63.100 -0.050 0.000 1.061 215 P CB -0.165 31.411 31.700 -0.207 0.000 1.967 216 D N 3.245 123.690 120.400 0.074 0.000 2.363 216 D HA 0.164 4.803 4.640 -0.001 0.000 0.258 216 D C -1.764 174.526 176.300 -0.017 0.000 1.259 216 D CA -2.245 51.787 54.000 0.053 0.000 0.921 216 D CB 1.273 42.157 40.800 0.138 0.000 1.201 216 D HN 0.057 nan 8.370 nan 0.000 0.524 217 P HA 0.066 nan 4.420 nan 0.000 0.239 217 P C 1.207 178.445 177.300 -0.104 0.000 1.184 217 P CA 0.223 63.259 63.100 -0.106 0.000 0.760 217 P CB 0.271 31.890 31.700 -0.134 0.000 0.884 218 G N -0.258 108.497 108.800 -0.074 0.000 2.572 218 G HA2 0.014 3.974 3.960 -0.001 0.000 0.216 218 G HA3 0.014 3.974 3.960 -0.001 0.000 0.216 218 G C 0.801 175.698 174.900 -0.006 0.000 1.133 218 G CA 0.165 45.239 45.100 -0.042 0.000 0.791 218 G HN 0.490 nan 8.290 nan 0.000 0.538 219 K N 1.551 121.939 120.400 -0.021 0.000 2.316 219 K HA 0.586 4.906 4.320 -0.001 0.000 0.267 219 K C -1.236 175.336 176.600 -0.047 0.000 1.025 219 K CA -1.708 54.570 56.287 -0.014 0.000 0.896 219 K CB 1.188 33.682 32.500 -0.010 0.000 1.124 219 K HN -0.008 nan 8.250 nan 0.000 0.451 220 P HA -0.304 nan 4.420 nan 0.000 0.216 220 P C 1.498 178.752 177.300 -0.077 0.000 1.154 220 P CA 2.229 65.300 63.100 -0.047 0.000 0.865 220 P CB 0.096 31.798 31.700 0.003 0.000 0.789 221 E N 0.514 120.675 120.200 -0.065 0.000 2.219 221 E HA -0.226 4.124 4.350 -0.001 0.000 0.198 221 E C 1.712 178.230 176.600 -0.138 0.000 0.998 221 E CA 1.430 57.785 56.400 -0.075 0.000 0.818 221 E CB -1.549 28.119 29.700 -0.054 0.000 0.741 221 E HN 0.346 nan 8.360 nan 0.000 0.477 222 N N -0.554 118.031 118.700 -0.191 0.000 2.461 222 N HA 0.118 4.858 4.740 -0.001 0.000 0.188 222 N C 1.081 176.301 175.510 -0.484 0.000 1.134 222 N CA 0.395 53.197 53.050 -0.415 0.000 0.878 222 N CB 0.480 38.783 38.487 -0.306 0.000 0.972 222 N HN 0.465 nan 8.380 nan 0.000 0.456 223 L N -0.330 120.743 121.223 -0.250 0.000 2.693 223 L HA 0.169 4.509 4.340 -0.001 0.000 0.235 223 L C 2.331 179.138 176.870 -0.106 0.000 1.127 223 L CA 0.050 54.783 54.840 -0.178 0.000 0.914 223 L CB -0.092 41.876 42.059 -0.152 0.000 1.193 223 L HN -0.010 nan 8.230 nan 0.000 0.502 224 K N 0.341 120.687 120.400 -0.089 0.000 2.026 224 K HA -0.205 4.114 4.320 -0.001 0.000 0.208 224 K C 1.578 178.182 176.600 0.007 0.000 1.048 224 K CA 2.143 58.410 56.287 -0.033 0.000 0.929 224 K CB -0.726 31.763 32.500 -0.019 0.000 0.713 224 K HN 0.221 nan 8.250 nan 0.000 0.439 225 D N 0.181 120.615 120.400 0.056 0.000 2.117 225 D HA -0.103 4.536 4.640 -0.001 0.000 0.197 225 D C 1.928 178.267 176.300 0.065 0.000 0.987 225 D CA 1.296 55.368 54.000 0.120 0.000 0.829 225 D CB -0.339 40.653 40.800 0.318 0.000 0.961 225 D HN 0.273 nan 8.370 nan 0.000 0.460 226 L N 0.886 122.138 121.223 0.049 0.000 2.012 226 L HA -0.136 4.204 4.340 -0.001 0.000 0.210 226 L C 2.150 179.010 176.870 -0.016 0.000 1.073 226 L CA 1.440 56.286 54.840 0.009 0.000 0.748 226 L CB -0.531 41.520 42.059 -0.014 0.000 0.891 226 L HN -0.007 nan 8.230 nan 0.000 0.431 227 I N -0.449 120.105 120.570 -0.027 0.000 2.163 227 I HA -0.320 3.850 4.170 -0.001 0.000 0.243 227 I C 2.592 178.700 176.117 -0.016 0.000 1.085 227 I CA 1.278 62.559 61.300 -0.031 0.000 1.347 227 I CB -0.658 37.319 38.000 -0.039 0.000 1.044 227 I HN 0.395 nan 8.210 nan 0.000 0.408 228 A N 0.494 123.311 122.820 -0.005 0.000 1.902 228 A HA -0.263 4.056 4.320 -0.001 0.000 0.217 228 A C 2.275 179.857 177.584 -0.002 0.000 1.181 228 A CA 1.996 54.034 52.037 0.001 0.000 0.623 228 A CB -0.439 18.568 19.000 0.012 0.000 0.818 228 A HN 0.244 nan 8.150 nan 0.000 0.443 229 K N -0.341 120.056 120.400 -0.005 0.000 2.097 229 K HA -0.012 4.308 4.320 -0.001 0.000 0.205 229 K C 1.701 178.292 176.600 -0.014 0.000 1.050 229 K CA 1.460 57.739 56.287 -0.014 0.000 0.938 229 K CB -0.544 31.939 32.500 -0.029 0.000 0.718 229 K HN 0.171 nan 8.250 nan 0.000 0.442 230 V N 1.280 121.185 119.914 -0.015 0.000 2.332 230 V HA -0.284 3.835 4.120 -0.001 0.000 0.248 230 V C 2.059 178.148 176.094 -0.009 0.000 1.055 230 V CA 2.001 64.293 62.300 -0.013 0.000 1.038 230 V CB -0.362 31.450 31.823 -0.019 0.000 0.651 230 V HN 0.349 nan 8.190 nan 0.000 0.450 231 K N 0.096 120.491 120.400 -0.008 0.000 2.057 231 K HA -0.075 4.245 4.320 -0.001 0.000 0.206 231 K C 2.294 178.892 176.600 -0.003 0.000 1.050 231 K CA 1.409 57.693 56.287 -0.005 0.000 0.935 231 K CB -0.408 32.089 32.500 -0.005 0.000 0.715 231 K HN 0.464 nan 8.250 nan 0.000 0.439 232 A N 1.547 124.365 122.820 -0.004 0.000 1.969 232 A HA -0.140 4.179 4.320 -0.001 0.000 0.218 232 A C 1.571 179.153 177.584 -0.003 0.000 1.169 232 A CA 1.387 53.423 52.037 -0.003 0.000 0.635 232 A CB -0.076 18.923 19.000 -0.003 0.000 0.810 232 A HN 0.157 nan 8.150 nan 0.000 0.445 233 E N -0.033 120.164 120.200 -0.005 0.000 2.474 233 E HA 0.036 4.386 4.350 -0.001 0.000 0.195 233 E C -0.436 176.163 176.600 -0.003 0.000 1.039 233 E CA -0.201 56.196 56.400 -0.005 0.000 0.881 233 E CB -0.148 29.547 29.700 -0.008 0.000 0.970 233 E HN 0.540 nan 8.360 nan 0.000 0.486 234 N N 1.014 119.713 118.700 -0.001 0.000 2.725 234 N HA -0.186 4.553 4.740 -0.001 0.000 0.251 234 N C -0.230 175.281 175.510 0.001 0.000 1.031 234 N CA 0.930 53.981 53.050 0.001 0.000 0.720 234 N CB -1.244 37.244 38.487 0.002 0.000 0.930 234 N HN 0.216 nan 8.380 nan 0.000 0.543 235 A N -0.165 122.655 122.820 -0.000 0.000 2.304 235 A HA 0.296 4.616 4.320 -0.001 0.000 0.271 235 A C 1.172 178.759 177.584 0.004 0.000 1.091 235 A CA -0.239 51.799 52.037 0.000 0.000 0.812 235 A CB 0.538 19.537 19.000 -0.003 0.000 1.056 235 A HN 0.175 nan 8.150 nan 0.000 0.489 236 D N -0.862 119.541 120.400 0.006 0.000 2.234 236 D HA 0.159 4.799 4.640 -0.001 0.000 0.205 236 D C -0.072 176.237 176.300 0.016 0.000 0.962 236 D CA 1.200 55.207 54.000 0.011 0.000 0.855 236 D CB 0.096 40.901 40.800 0.008 0.000 0.951 236 D HN 0.274 nan 8.370 nan 0.000 0.500 237 L N -1.147 120.080 121.223 0.008 0.000 2.710 237 L HA 0.537 4.877 4.340 -0.001 0.000 0.260 237 L C -1.302 175.560 176.870 -0.013 0.000 0.993 237 L CA -0.591 54.251 54.840 0.004 0.000 0.877 237 L CB 2.160 44.228 42.059 0.014 0.000 1.461 237 L HN -0.097 nan 8.230 nan 0.000 0.413 238 G N 2.572 111.351 108.800 -0.036 0.000 2.566 238 G HA2 0.705 4.664 3.960 -0.001 0.000 0.311 238 G HA3 0.705 4.664 3.960 -0.001 0.000 0.311 238 G C -1.941 172.903 174.900 -0.094 0.000 1.322 238 G CA -0.506 44.563 45.100 -0.051 0.000 0.969 238 G HN 0.573 nan 8.290 nan 0.000 0.490 239 L N 1.039 122.197 121.223 -0.107 0.000 2.386 239 L HA 0.777 5.117 4.340 -0.001 0.000 0.271 239 L C 0.032 176.748 176.870 -0.257 0.000 0.993 239 L CA -1.063 53.633 54.840 -0.240 0.000 0.819 239 L CB 2.549 44.430 42.059 -0.296 0.000 1.294 239 L HN 0.644 nan 8.230 nan 0.000 0.414 240 A N 2.789 125.397 122.820 -0.353 0.000 2.340 240 A HA 0.767 5.086 4.320 -0.001 0.000 0.297 240 A C -1.095 176.294 177.584 -0.325 0.000 1.195 240 A CA -0.329 51.586 52.037 -0.204 0.000 0.769 240 A CB 0.391 19.328 19.000 -0.105 0.000 1.163 240 A HN 0.457 nan 8.150 nan 0.000 0.472 241 F N 2.090 122.062 119.950 0.036 0.000 2.375 241 F HA 0.331 4.858 4.527 -0.001 0.000 0.333 241 F C 1.161 176.969 175.800 0.012 0.000 1.104 241 F CA -0.214 57.797 58.000 0.017 0.000 1.149 241 F CB 1.009 40.028 39.000 0.031 0.000 1.190 241 F HN 0.730 nan 8.300 nan 0.000 0.533 242 D N 1.100 121.589 120.400 0.149 0.000 2.398 242 D HA 0.093 4.733 4.640 -0.001 0.000 0.247 242 D C 1.356 177.711 176.300 0.092 0.000 1.227 242 D CA -0.147 53.898 54.000 0.075 0.000 0.980 242 D CB 0.608 41.406 40.800 -0.005 0.000 1.106 242 D HN 0.605 nan 8.370 nan 0.000 0.493 243 G N -0.175 108.646 108.800 0.035 0.000 2.422 243 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.218 243 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.218 243 G C 0.941 175.875 174.900 0.057 0.000 1.146 243 G CA 1.240 46.349 45.100 0.016 0.000 0.769 243 G HN 0.733 nan 8.290 nan 0.000 0.547 244 D N -1.197 119.231 120.400 0.045 0.000 2.369 244 D HA 0.198 4.838 4.640 -0.001 0.000 0.211 244 D C 1.635 177.929 176.300 -0.009 0.000 1.077 244 D CA 0.698 54.703 54.000 0.008 0.000 0.842 244 D CB -0.382 40.414 40.800 -0.006 0.000 0.947 244 D HN 0.530 nan 8.370 nan 0.000 0.509 245 G N 2.125 110.952 108.800 0.045 0.000 2.141 245 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.242 245 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.242 245 G C 0.435 175.399 174.900 0.107 0.000 0.982 245 G CA 0.459 45.608 45.100 0.081 0.000 0.662 245 G HN 0.509 nan 8.290 nan 0.000 0.527 246 D N -0.479 119.951 120.400 0.051 0.000 2.339 246 D HA 0.177 4.816 4.640 -0.001 0.000 0.217 246 D C 1.018 177.271 176.300 -0.078 0.000 1.050 246 D CA 0.206 54.236 54.000 0.051 0.000 0.856 246 D CB 0.222 41.078 40.800 0.095 0.000 0.922 246 D HN 0.582 nan 8.370 nan 0.000 0.518 247 R N -0.636 119.819 120.500 -0.075 0.000 2.698 247 R HA 0.673 5.013 4.340 -0.001 0.000 0.275 247 R C -1.776 174.495 176.300 -0.048 0.000 1.001 247 R CA -1.041 54.967 56.100 -0.155 0.000 0.896 247 R CB 3.162 33.279 30.300 -0.304 0.000 1.218 247 R HN -0.029 nan 8.270 nan 0.000 0.462 248 V N 0.970 120.812 119.914 -0.120 0.000 2.808 248 V HA 0.698 4.818 4.120 -0.001 0.000 0.308 248 V C -0.489 175.446 176.094 -0.265 0.000 1.099 248 V CA -0.379 61.746 62.300 -0.291 0.000 0.920 248 V CB 2.056 33.591 31.823 -0.480 0.000 1.014 248 V HN 0.883 nan 8.190 nan 0.000 0.425 249 G N 4.428 113.048 108.800 -0.299 0.000 2.420 249 G HA2 0.586 4.545 3.960 -0.001 0.000 0.284 249 G HA3 0.586 4.545 3.960 -0.001 0.000 0.284 249 G C -1.088 173.639 174.900 -0.288 0.000 1.177 249 G CA -0.388 44.547 45.100 -0.274 0.000 0.841 249 G HN 0.919 nan 8.290 nan 0.000 0.527 250 V N 1.436 121.176 119.914 -0.290 0.000 2.588 250 V HA 0.527 4.647 4.120 -0.001 0.000 0.304 250 V C -0.438 175.493 176.094 -0.271 0.000 1.042 250 V CA -0.663 61.480 62.300 -0.262 0.000 0.877 250 V CB 1.809 33.469 31.823 -0.271 0.000 0.996 250 V HN 0.548 nan 8.190 nan 0.000 0.425 251 V N 3.476 123.275 119.914 -0.192 0.000 2.588 251 V HA 0.550 4.670 4.120 -0.001 0.000 0.304 251 V C 0.469 176.508 176.094 -0.092 0.000 1.042 251 V CA -0.393 61.814 62.300 -0.155 0.000 0.877 251 V CB 2.513 34.263 31.823 -0.123 0.000 0.996 251 V HN 1.058 nan 8.190 nan 0.000 0.425 252 T N 0.752 115.263 114.554 -0.072 0.000 2.770 252 T HA 0.120 4.469 4.350 -0.001 0.000 0.281 252 T C 1.298 175.997 174.700 -0.003 0.000 0.981 252 T CA 0.051 62.151 62.100 0.000 0.000 0.955 252 T CB 0.365 69.251 68.868 0.030 0.000 1.060 252 T HN 0.739 nan 8.240 nan 0.000 0.531 253 N N 0.062 118.773 118.700 0.019 0.000 2.453 253 N HA -0.126 4.614 4.740 -0.001 0.000 0.183 253 N C 1.434 176.947 175.510 0.005 0.000 1.041 253 N CA 1.507 54.565 53.050 0.013 0.000 0.900 253 N CB -0.847 37.656 38.487 0.027 0.000 0.961 253 N HN 0.840 nan 8.380 nan 0.000 0.443 254 T N -5.293 109.260 114.554 -0.002 0.000 3.069 254 T HA 0.457 4.806 4.350 -0.001 0.000 0.252 254 T C 1.253 175.940 174.700 -0.020 0.000 1.053 254 T CA 0.327 62.421 62.100 -0.010 0.000 0.964 254 T CB 0.051 68.909 68.868 -0.017 0.000 1.005 254 T HN 0.363 nan 8.240 nan 0.000 0.532 255 G N 1.035 109.818 108.800 -0.029 0.000 2.176 255 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.232 255 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.232 255 G C 0.155 175.021 174.900 -0.058 0.000 0.986 255 G CA -0.068 45.007 45.100 -0.041 0.000 0.643 255 G HN 0.698 nan 8.290 nan 0.000 0.522 256 T N 1.676 116.194 114.554 -0.059 0.000 2.888 256 T HA 0.459 4.808 4.350 -0.001 0.000 0.301 256 T C 0.956 175.576 174.700 -0.133 0.000 1.001 256 T CA 0.215 62.272 62.100 -0.073 0.000 1.147 256 T CB 1.164 69.996 68.868 -0.059 0.000 0.931 256 T HN 0.326 nan 8.240 nan 0.000 0.541 257 I N 4.172 124.653 120.570 -0.148 0.000 2.416 257 I HA 0.177 4.346 4.170 -0.001 0.000 0.288 257 I C 0.117 176.007 176.117 -0.379 0.000 1.051 257 I CA -0.404 60.717 61.300 -0.300 0.000 1.375 257 I CB 0.512 38.306 38.000 -0.343 0.000 1.407 257 I HN 0.353 nan 8.210 nan 0.000 0.516 258 I N 7.737 128.010 120.570 -0.496 0.000 2.307 258 I HA 0.239 4.409 4.170 -0.001 0.000 0.289 258 I C -0.013 175.798 176.117 -0.511 0.000 1.021 258 I CA -0.525 60.464 61.300 -0.518 0.000 1.224 258 I CB 0.296 37.792 38.000 -0.839 0.000 1.376 258 I HN 0.396 nan 8.210 nan 0.000 0.470 259 Y N 7.788 127.961 120.300 -0.211 0.000 2.299 259 Y HA 0.180 4.730 4.550 -0.001 0.000 0.335 259 Y C -1.071 174.750 175.900 -0.132 0.000 1.287 259 Y CA -1.171 56.846 58.100 -0.139 0.000 1.424 259 Y CB 0.010 38.417 38.460 -0.089 0.000 1.326 259 Y HN 0.417 nan 8.280 nan 0.000 0.567 260 P HA -0.171 nan 4.420 nan 0.000 0.218 260 P C 0.719 178.028 177.300 0.015 0.000 1.148 260 P CA 1.887 65.007 63.100 0.033 0.000 0.822 260 P CB 0.138 31.889 31.700 0.085 0.000 0.784 261 D N -0.638 119.776 120.400 0.023 0.000 2.178 261 D HA -0.168 4.471 4.640 -0.001 0.000 0.202 261 D C 1.981 178.216 176.300 -0.108 0.000 0.974 261 D CA 1.090 55.060 54.000 -0.049 0.000 0.841 261 D CB -0.886 39.883 40.800 -0.050 0.000 0.953 261 D HN 0.141 nan 8.370 nan 0.000 0.478 262 R N -0.129 120.322 120.500 -0.081 0.000 2.093 262 R HA 0.134 4.474 4.340 -0.001 0.000 0.224 262 R C 2.502 178.739 176.300 -0.104 0.000 1.101 262 R CA 0.181 56.218 56.100 -0.105 0.000 0.979 262 R CB -0.265 29.999 30.300 -0.059 0.000 0.877 262 R HN 0.152 nan 8.270 nan 0.000 0.441 263 L N 0.766 121.895 121.223 -0.156 0.000 2.042 263 L HA -0.198 4.142 4.340 -0.001 0.000 0.210 263 L C 2.034 178.740 176.870 -0.273 0.000 1.076 263 L CA 1.449 56.155 54.840 -0.223 0.000 0.749 263 L CB -0.202 41.700 42.059 -0.262 0.000 0.893 263 L HN 0.362 nan 8.230 nan 0.000 0.432 264 L N -1.069 120.084 121.223 -0.116 0.000 2.191 264 L HA -0.261 4.078 4.340 -0.001 0.000 0.212 264 L C 2.629 179.435 176.870 -0.108 0.000 1.103 264 L CA 1.011 55.836 54.840 -0.026 0.000 0.769 264 L CB -0.245 41.807 42.059 -0.012 0.000 0.908 264 L HN 0.353 nan 8.230 nan 0.000 0.438 265 M N -0.980 118.462 119.600 -0.264 0.000 2.080 265 M HA -0.264 4.216 4.480 -0.001 0.000 0.260 265 M C 2.296 178.393 176.300 -0.339 0.000 1.068 265 M CA 1.731 56.758 55.300 -0.455 0.000 1.109 265 M CB -0.380 31.631 32.600 -0.981 0.000 1.342 265 M HN 0.224 nan 8.290 nan 0.000 0.405 266 L N -0.106 120.978 121.223 -0.232 0.000 2.027 266 L HA -0.111 4.229 4.340 -0.001 0.000 0.206 266 L C 2.042 178.977 176.870 0.108 0.000 1.074 266 L CA 1.882 56.740 54.840 0.031 0.000 0.745 266 L CB -0.593 41.453 42.059 -0.022 0.000 0.898 266 L HN 0.172 nan 8.230 nan 0.000 0.433 267 F N -0.808 119.184 119.950 0.070 0.000 2.146 267 F HA -0.206 4.320 4.527 -0.001 0.000 0.298 267 F C 2.480 178.305 175.800 0.042 0.000 1.096 267 F CA 0.446 58.500 58.000 0.091 0.000 1.275 267 F CB -0.488 38.556 39.000 0.072 0.000 1.008 267 F HN 0.235 nan 8.300 nan 0.000 0.480 268 A N 0.398 123.330 122.820 0.186 0.000 1.877 268 A HA -0.262 4.058 4.320 -0.001 0.000 0.216 268 A C 2.135 179.769 177.584 0.084 0.000 1.186 268 A CA 1.953 54.056 52.037 0.110 0.000 0.620 268 A CB -0.790 18.252 19.000 0.068 0.000 0.822 268 A HN 0.338 nan 8.150 nan 0.000 0.443 269 K N -0.307 120.126 120.400 0.055 0.000 2.044 269 K HA -0.280 4.039 4.320 -0.001 0.000 0.210 269 K C 1.804 178.331 176.600 -0.121 0.000 1.049 269 K CA 2.179 58.380 56.287 -0.143 0.000 0.927 269 K CB -0.319 32.090 32.500 -0.151 0.000 0.713 269 K HN 0.510 nan 8.250 nan 0.000 0.443 270 D N -0.434 119.973 120.400 0.012 0.000 2.084 270 D HA -0.138 4.502 4.640 -0.001 0.000 0.196 270 D C 1.836 178.160 176.300 0.041 0.000 0.985 270 D CA 1.430 55.448 54.000 0.031 0.000 0.826 270 D CB 0.139 41.005 40.800 0.111 0.000 0.978 270 D HN 0.068 nan 8.370 nan 0.000 0.456 271 V N 0.005 119.972 119.914 0.088 0.000 2.295 271 V HA -0.207 3.912 4.120 -0.001 0.000 0.246 271 V C 2.570 178.693 176.094 0.048 0.000 1.049 271 V CA 1.372 63.723 62.300 0.084 0.000 1.024 271 V CB -0.405 31.482 31.823 0.106 0.000 0.648 271 V HN 0.196 nan 8.190 nan 0.000 0.447 272 V N 1.016 120.954 119.914 0.040 0.000 2.515 272 V HA -0.213 3.907 4.120 -0.001 0.000 0.250 272 V C 2.725 178.826 176.094 0.013 0.000 1.058 272 V CA 1.993 64.317 62.300 0.040 0.000 1.064 272 V CB -0.788 31.081 31.823 0.077 0.000 0.675 272 V HN 0.786 nan 8.190 nan 0.000 0.461 273 S N 0.875 116.557 115.700 -0.031 0.000 2.402 273 S HA -0.240 4.230 4.470 -0.001 0.000 0.233 273 S C 1.891 176.485 174.600 -0.011 0.000 1.030 273 S CA 1.520 59.695 58.200 -0.041 0.000 1.003 273 S CB -0.378 62.776 63.200 -0.077 0.000 0.813 273 S HN 0.668 nan 8.310 nan 0.000 0.477 274 R N 0.907 121.408 120.500 0.002 0.000 2.397 274 R HA 0.335 4.675 4.340 -0.001 0.000 0.241 274 R C -0.393 175.915 176.300 0.014 0.000 0.914 274 R CA -0.018 56.086 56.100 0.007 0.000 1.071 274 R CB 0.256 30.561 30.300 0.008 0.000 1.116 274 R HN 0.388 nan 8.270 nan 0.000 0.524 275 N N 1.366 120.078 118.700 0.020 0.000 2.722 275 N HA 0.167 4.906 4.740 -0.001 0.000 0.242 275 N C -2.902 172.625 175.510 0.028 0.000 1.398 275 N CA -1.150 51.914 53.050 0.023 0.000 0.755 275 N CB 1.918 40.422 38.487 0.028 0.000 1.268 275 N HN -0.100 nan 8.380 nan 0.000 0.522 276 P HA 0.025 nan 4.420 nan 0.000 0.264 276 P C 1.114 178.431 177.300 0.029 0.000 1.183 276 P CA 1.012 64.131 63.100 0.032 0.000 0.763 276 P CB 0.477 32.193 31.700 0.026 0.000 0.807 277 G N 1.775 110.596 108.800 0.035 0.000 2.184 277 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.264 277 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.264 277 G C 0.471 175.385 174.900 0.023 0.000 0.975 277 G CA 0.101 45.217 45.100 0.027 0.000 0.642 277 G HN 0.893 nan 8.290 nan 0.000 0.536 278 A N 0.167 123.005 122.820 0.030 0.000 2.567 278 A HA 0.443 4.762 4.320 -0.001 0.000 0.240 278 A C 0.370 177.969 177.584 0.025 0.000 1.053 278 A CA 0.907 52.960 52.037 0.025 0.000 0.755 278 A CB 0.113 19.134 19.000 0.035 0.000 0.978 278 A HN 0.479 nan 8.150 nan 0.000 0.507 279 D N 1.167 121.570 120.400 0.004 0.000 2.389 279 D HA 0.439 5.079 4.640 -0.001 0.000 0.247 279 D C -0.153 176.153 176.300 0.010 0.000 1.128 279 D CA 0.506 54.502 54.000 -0.008 0.000 0.884 279 D CB 0.668 41.440 40.800 -0.047 0.000 1.194 279 D HN 0.274 nan 8.370 nan 0.000 0.441 280 I N 3.390 123.985 120.570 0.041 0.000 2.468 280 I HA 0.278 4.448 4.170 -0.001 0.000 0.285 280 I C -0.773 175.414 176.117 0.117 0.000 1.039 280 I CA -0.688 60.668 61.300 0.094 0.000 1.074 280 I CB 1.143 39.236 38.000 0.154 0.000 1.228 280 I HN 0.233 nan 8.210 nan 0.000 0.436 281 I N 7.270 127.874 120.570 0.057 0.000 2.437 281 I HA 0.578 4.748 4.170 -0.001 0.000 0.298 281 I C -0.066 176.115 176.117 0.107 0.000 0.984 281 I CA -0.514 60.745 61.300 -0.068 0.000 1.214 281 I CB 1.158 39.073 38.000 -0.143 0.000 1.365 281 I HN 0.484 nan 8.210 nan 0.000 0.469 282 F N 1.990 121.962 119.950 0.037 0.000 2.923 282 F HA 0.726 5.252 4.527 -0.001 0.000 0.323 282 F C -1.028 174.809 175.800 0.061 0.000 1.189 282 F CA -1.240 56.789 58.000 0.048 0.000 0.930 282 F CB 0.755 39.761 39.000 0.009 0.000 1.414 282 F HN 0.421 nan 8.300 nan 0.000 0.496 283 D N -0.532 120.005 120.400 0.229 0.000 2.449 283 D HA 0.387 5.027 4.640 -0.001 0.000 0.250 283 D C 0.684 177.006 176.300 0.037 0.000 1.050 283 D CA -0.441 53.604 54.000 0.076 0.000 1.024 283 D CB 1.429 42.275 40.800 0.077 0.000 1.218 283 D HN 0.715 nan 8.370 nan 0.000 0.566 284 V N -2.324 117.549 119.914 -0.069 0.000 3.444 284 V HA 0.021 4.141 4.120 -0.001 0.000 0.271 284 V C 1.251 177.242 176.094 -0.172 0.000 1.188 284 V CA 0.839 63.048 62.300 -0.150 0.000 1.168 284 V CB -1.139 30.596 31.823 -0.148 0.000 0.810 284 V HN 0.491 nan 8.190 nan 0.000 0.500 285 K N -0.441 119.926 120.400 -0.056 0.000 2.404 285 K HA 0.253 4.573 4.320 -0.001 0.000 0.194 285 K C 0.446 177.067 176.600 0.034 0.000 1.023 285 K CA -0.032 56.278 56.287 0.038 0.000 1.094 285 K CB 0.199 32.742 32.500 0.073 0.000 0.841 285 K HN 0.514 nan 8.250 nan 0.000 0.523 286 C N 1.295 120.546 119.300 -0.082 0.000 2.466 286 C HA 0.132 4.592 4.460 -0.001 0.000 0.379 286 C C 1.175 176.024 174.990 -0.236 0.000 1.251 286 C CA -0.814 58.161 59.018 -0.073 0.000 2.263 286 C CB 0.857 28.582 27.740 -0.024 0.000 2.511 286 C HN 0.334 nan 8.230 nan 0.000 0.573 287 T N 1.556 116.083 114.554 -0.046 0.000 2.946 287 T HA 0.000 4.350 4.350 -0.001 0.000 0.312 287 T C 1.538 176.111 174.700 -0.211 0.000 1.066 287 T CA 0.123 62.257 62.100 0.056 0.000 1.138 287 T CB 0.286 69.212 68.868 0.098 0.000 1.014 287 T HN 0.845 nan 8.240 nan 0.000 0.544 288 R N 3.939 124.310 120.500 -0.215 0.000 2.193 288 R HA -0.043 4.296 4.340 -0.001 0.000 0.229 288 R C 1.842 178.080 176.300 -0.103 0.000 1.110 288 R CA 0.677 56.644 56.100 -0.222 0.000 0.988 288 R CB -0.104 30.155 30.300 -0.068 0.000 0.871 288 R HN 0.423 nan 8.270 nan 0.000 0.458 289 R N 0.894 121.365 120.500 -0.049 0.000 2.152 289 R HA -0.068 4.271 4.340 -0.001 0.000 0.232 289 R C 2.042 178.254 176.300 -0.147 0.000 1.117 289 R CA 0.704 56.771 56.100 -0.056 0.000 0.981 289 R CB -0.736 29.555 30.300 -0.014 0.000 0.870 289 R HN 0.291 nan 8.270 nan 0.000 0.451 290 L N 0.826 121.890 121.223 -0.264 0.000 2.056 290 L HA -0.033 4.307 4.340 -0.001 0.000 0.207 290 L C 2.027 178.669 176.870 -0.381 0.000 1.078 290 L CA 1.366 55.952 54.840 -0.424 0.000 0.749 290 L CB -0.382 41.256 42.059 -0.702 0.000 0.901 290 L HN 0.013 nan 8.230 nan 0.000 0.433 291 I N -0.331 120.070 120.570 -0.281 0.000 2.127 291 I HA -0.343 3.826 4.170 -0.001 0.000 0.241 291 I C 2.605 178.704 176.117 -0.030 0.000 1.075 291 I CA 1.473 62.757 61.300 -0.026 0.000 1.334 291 I CB -0.833 37.201 38.000 0.057 0.000 1.040 291 I HN 0.333 nan 8.210 nan 0.000 0.405 292 A N 0.851 123.637 122.820 -0.056 0.000 1.902 292 A HA -0.173 4.147 4.320 -0.001 0.000 0.217 292 A C 2.326 179.857 177.584 -0.088 0.000 1.181 292 A CA 1.324 53.330 52.037 -0.051 0.000 0.623 292 A CB -0.793 18.182 19.000 -0.042 0.000 0.818 292 A HN 0.437 nan 8.150 nan 0.000 0.443 293 L N 0.173 121.332 121.223 -0.108 0.000 2.046 293 L HA -0.128 4.212 4.340 -0.001 0.000 0.208 293 L C 2.215 179.038 176.870 -0.077 0.000 1.077 293 L CA 1.999 56.757 54.840 -0.137 0.000 0.747 293 L CB -1.100 40.905 42.059 -0.091 0.000 0.896 293 L HN 0.464 nan 8.230 nan 0.000 0.432 294 I N -0.525 120.039 120.570 -0.011 0.000 2.179 294 I HA -0.289 3.881 4.170 -0.001 0.000 0.242 294 I C 2.781 178.939 176.117 0.068 0.000 1.088 294 I CA 1.449 62.795 61.300 0.077 0.000 1.357 294 I CB -0.406 37.640 38.000 0.076 0.000 1.051 294 I HN 0.287 nan 8.210 nan 0.000 0.409 295 S N 0.684 116.398 115.700 0.023 0.000 2.368 295 S HA -0.154 4.316 4.470 -0.001 0.000 0.225 295 S C 2.162 176.755 174.600 -0.012 0.000 1.030 295 S CA 1.658 59.867 58.200 0.016 0.000 0.999 295 S CB -0.714 62.491 63.200 0.008 0.000 0.844 295 S HN 0.573 nan 8.310 nan 0.000 0.459 296 G N -0.685 108.060 108.800 -0.091 0.000 2.442 296 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.219 296 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.219 296 G C 0.956 175.785 174.900 -0.118 0.000 1.141 296 G CA 0.824 45.826 45.100 -0.163 0.000 0.763 296 G HN 0.604 nan 8.290 nan 0.000 0.554 297 Y N 0.345 120.664 120.300 0.031 0.000 2.529 297 Y HA 0.332 4.881 4.550 -0.001 0.000 0.290 297 Y C 2.122 178.040 175.900 0.029 0.000 1.177 297 Y CA -0.363 57.758 58.100 0.034 0.000 1.305 297 Y CB 0.071 38.556 38.460 0.042 0.000 1.047 297 Y HN 0.316 nan 8.280 nan 0.000 0.522 298 G N -0.763 108.123 108.800 0.142 0.000 2.144 298 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.218 298 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.218 298 G C 0.685 175.634 174.900 0.082 0.000 0.988 298 G CA -0.135 45.021 45.100 0.094 0.000 0.659 298 G HN 0.726 nan 8.290 nan 0.000 0.522 299 G N -0.861 107.998 108.800 0.098 0.000 2.557 299 G HA2 0.586 4.546 3.960 -0.001 0.000 0.292 299 G HA3 0.586 4.546 3.960 -0.001 0.000 0.292 299 G C -0.017 174.920 174.900 0.062 0.000 1.237 299 G CA -0.328 44.821 45.100 0.081 0.000 0.978 299 G HN 0.564 nan 8.290 nan 0.000 0.498 300 R N 1.066 121.598 120.500 0.053 0.000 2.312 300 R HA 0.342 4.682 4.340 -0.001 0.000 0.310 300 R C -2.496 173.838 176.300 0.056 0.000 1.064 300 R CA -1.684 54.439 56.100 0.038 0.000 0.983 300 R CB 1.638 31.943 30.300 0.009 0.000 1.139 300 R HN 0.303 nan 8.270 nan 0.000 0.536 301 P HA 0.077 nan 4.420 nan 0.000 0.275 301 P C -0.854 176.456 177.300 0.018 0.000 1.227 301 P CA -0.225 62.991 63.100 0.192 0.000 0.781 301 P CB 1.635 33.523 31.700 0.314 0.000 0.906 302 V N 4.649 124.460 119.914 -0.172 0.000 2.409 302 V HA 0.315 4.434 4.120 -0.001 0.000 0.290 302 V C 0.281 175.908 176.094 -0.778 0.000 1.017 302 V CA -0.532 61.569 62.300 -0.331 0.000 0.841 302 V CB 1.404 33.064 31.823 -0.272 0.000 1.003 302 V HN 0.595 nan 8.190 nan 0.000 0.426 303 M N 6.059 125.276 119.600 -0.638 0.000 2.108 303 M HA 0.425 4.904 4.480 -0.001 0.000 0.354 303 M C -0.927 175.282 176.300 -0.153 0.000 1.229 303 M CA 0.103 54.996 55.300 -0.677 0.000 1.081 303 M CB 0.840 33.257 32.600 -0.306 0.000 1.606 303 M HN 0.828 nan 8.290 nan 0.000 0.467 304 W N 4.503 125.568 121.300 -0.391 0.000 3.205 304 W HA 0.430 5.090 4.660 -0.001 0.000 0.336 304 W C -0.857 175.569 176.519 -0.155 0.000 1.171 304 W CA -0.950 56.253 57.345 -0.237 0.000 1.035 304 W CB 1.543 30.865 29.460 -0.229 0.000 1.500 304 W HN 0.458 nan 8.180 nan 0.000 0.602 305 K N 1.287 121.136 120.400 -0.918 0.000 2.319 305 K HA 0.116 4.436 4.320 -0.001 0.000 0.265 305 K C 0.427 176.891 176.600 -0.227 0.000 1.000 305 K CA 0.220 56.140 56.287 -0.611 0.000 0.943 305 K CB 0.620 32.656 32.500 -0.773 0.000 0.950 305 K HN 0.311 nan 8.250 nan 0.000 0.485 306 T N -1.267 113.207 114.554 -0.133 0.000 2.860 306 T HA 0.445 4.794 4.350 -0.001 0.000 0.299 306 T C 0.553 175.242 174.700 -0.018 0.000 1.045 306 T CA -0.191 61.892 62.100 -0.028 0.000 1.071 306 T CB 0.869 69.736 68.868 -0.001 0.000 0.985 306 T HN 0.826 nan 8.240 nan 0.000 0.537 307 G N 1.831 110.645 108.800 0.022 0.000 3.367 307 G HA2 0.023 3.983 3.960 -0.001 0.000 0.686 307 G HA3 0.023 3.983 3.960 -0.001 0.000 0.686 307 G C -0.071 174.779 174.900 -0.084 0.000 1.146 307 G CA 0.267 45.338 45.100 -0.048 0.000 0.913 307 G HN 1.478 nan 8.290 nan 0.000 0.554 308 H N 0.798 119.868 119.070 -0.000 0.000 2.422 308 H HA -0.034 4.522 4.556 -0.001 0.000 0.298 308 H C 2.446 177.732 175.328 -0.070 0.000 1.098 308 H CA 2.472 58.542 56.048 0.037 0.000 1.315 308 H CB -0.131 29.556 29.762 -0.126 0.000 1.382 308 H HN 0.417 nan 8.280 nan 0.000 0.523 309 S N 0.713 116.049 115.700 -0.607 0.000 2.368 309 S HA -0.059 4.411 4.470 -0.001 0.000 0.225 309 S C 2.157 176.581 174.600 -0.293 0.000 1.030 309 S CA 1.322 59.208 58.200 -0.523 0.000 0.999 309 S CB -0.306 62.123 63.200 -1.285 0.000 0.844 309 S HN 0.358 nan 8.310 nan 0.000 0.459 310 L N 1.004 122.098 121.223 -0.215 0.000 2.093 310 L HA -0.046 4.294 4.340 -0.001 0.000 0.208 310 L C 2.245 179.176 176.870 0.101 0.000 1.085 310 L CA 0.736 55.583 54.840 0.012 0.000 0.755 310 L CB -0.514 41.577 42.059 0.053 0.000 0.904 310 L HN 0.286 nan 8.230 nan 0.000 0.435 311 I N 0.271 120.864 120.570 0.039 0.000 2.179 311 I HA -0.302 3.868 4.170 -0.001 0.000 0.242 311 I C 2.586 178.528 176.117 -0.293 0.000 1.088 311 I CA 1.520 62.809 61.300 -0.017 0.000 1.357 311 I CB -0.795 37.220 38.000 0.025 0.000 1.051 311 I HN 0.345 nan 8.210 nan 0.000 0.409 312 K N 1.334 121.475 120.400 -0.432 0.000 2.057 312 K HA -0.242 4.078 4.320 -0.001 0.000 0.207 312 K C 2.207 178.626 176.600 -0.302 0.000 1.049 312 K CA 1.571 57.517 56.287 -0.568 0.000 0.931 312 K CB -0.032 32.189 32.500 -0.464 0.000 0.714 312 K HN 0.149 nan 8.250 nan 0.000 0.440 313 K N 0.887 121.172 120.400 -0.192 0.000 2.057 313 K HA -0.225 4.094 4.320 -0.001 0.000 0.207 313 K C 2.101 178.581 176.600 -0.199 0.000 1.049 313 K CA 1.731 57.936 56.287 -0.136 0.000 0.931 313 K CB -0.070 32.395 32.500 -0.058 0.000 0.714 313 K HN -0.109 nan 8.250 nan 0.000 0.440 314 K N 1.204 121.433 120.400 -0.285 0.000 2.097 314 K HA -0.098 4.222 4.320 -0.001 0.000 0.205 314 K C 2.055 178.430 176.600 -0.376 0.000 1.050 314 K CA 1.597 57.587 56.287 -0.494 0.000 0.938 314 K CB -0.292 31.625 32.500 -0.972 0.000 0.718 314 K HN 0.267 nan 8.250 nan 0.000 0.442 315 M N 0.346 119.757 119.600 -0.315 0.000 2.080 315 M HA -0.244 4.235 4.480 -0.001 0.000 0.260 315 M C 1.590 177.780 176.300 -0.183 0.000 1.068 315 M CA 1.865 57.020 55.300 -0.243 0.000 1.109 315 M CB -0.109 32.330 32.600 -0.268 0.000 1.342 315 M HN 0.055 nan 8.290 nan 0.000 0.405 316 K N 0.008 120.306 120.400 -0.170 0.000 2.057 316 K HA -0.162 4.157 4.320 -0.001 0.000 0.207 316 K C 1.701 178.229 176.600 -0.120 0.000 1.049 316 K CA 1.760 57.977 56.287 -0.117 0.000 0.931 316 K CB -0.242 32.203 32.500 -0.093 0.000 0.714 316 K HN 0.551 nan 8.250 nan 0.000 0.440 317 E N 0.004 120.110 120.200 -0.156 0.000 2.338 317 E HA -0.102 4.248 4.350 -0.001 0.000 0.197 317 E C 1.501 178.008 176.600 -0.155 0.000 1.007 317 E CA 1.427 57.736 56.400 -0.152 0.000 0.849 317 E CB 0.111 29.701 29.700 -0.183 0.000 0.774 317 E HN 0.416 nan 8.360 nan 0.000 0.506 318 T N -3.910 110.540 114.554 -0.174 0.000 3.023 318 T HA 0.277 4.627 4.350 -0.001 0.000 0.253 318 T C 1.476 176.112 174.700 -0.108 0.000 1.038 318 T CA 0.190 62.197 62.100 -0.154 0.000 0.962 318 T CB 0.781 69.531 68.868 -0.196 0.000 1.018 318 T HN 0.174 nan 8.240 nan 0.000 0.521 319 G N 1.824 110.568 108.800 -0.093 0.000 2.198 319 G HA2 -0.064 3.895 3.960 -0.001 0.000 0.260 319 G HA3 -0.064 3.895 3.960 -0.001 0.000 0.260 319 G C 0.353 175.220 174.900 -0.054 0.000 1.025 319 G CA -0.011 45.051 45.100 -0.064 0.000 0.769 319 G HN 1.214 nan 8.290 nan 0.000 0.507 320 A N -0.797 121.980 122.820 -0.072 0.000 2.483 320 A HA 0.612 4.931 4.320 -0.001 0.000 0.238 320 A C 1.482 179.054 177.584 -0.020 0.000 1.070 320 A CA 0.578 52.583 52.037 -0.053 0.000 0.770 320 A CB 0.289 19.241 19.000 -0.080 0.000 1.008 320 A HN 0.772 nan 8.150 nan 0.000 0.497 321 L N 0.459 121.683 121.223 0.002 0.000 2.477 321 L HA 0.239 4.579 4.340 -0.001 0.000 0.220 321 L C -0.012 176.878 176.870 0.033 0.000 1.106 321 L CA 0.444 55.303 54.840 0.031 0.000 0.851 321 L CB -0.126 41.958 42.059 0.041 0.000 0.994 321 L HN 0.645 nan 8.230 nan 0.000 0.462 322 L N -0.485 120.736 121.223 -0.004 0.000 2.545 322 L HA 0.766 5.105 4.340 -0.001 0.000 0.258 322 L C -1.610 175.259 176.870 -0.002 0.000 0.942 322 L CA -0.262 54.536 54.840 -0.070 0.000 0.855 322 L CB 1.903 43.885 42.059 -0.129 0.000 1.374 322 L HN -0.132 nan 8.230 nan 0.000 0.411 323 A N 2.152 125.004 122.820 0.054 0.000 2.572 323 A HA 1.025 5.344 4.320 -0.001 0.000 0.295 323 A C -0.703 177.065 177.584 0.306 0.000 1.072 323 A CA 0.032 52.154 52.037 0.141 0.000 0.691 323 A CB 1.761 20.767 19.000 0.011 0.000 1.291 323 A HN 1.415 nan 8.150 nan 0.000 0.404 324 G N -0.128 108.857 108.800 0.308 0.000 2.608 324 G HA2 0.747 4.706 3.960 -0.001 0.000 0.291 324 G HA3 0.747 4.706 3.960 -0.001 0.000 0.291 324 G C -1.519 173.574 174.900 0.321 0.000 1.425 324 G CA -0.050 45.261 45.100 0.352 0.000 0.787 324 G HN 1.362 nan 8.290 nan 0.000 0.484 325 E N -0.894 119.489 120.200 0.305 0.000 2.423 325 E HA 0.490 4.840 4.350 -0.001 0.000 0.280 325 E C 0.461 177.189 176.600 0.214 0.000 1.030 325 E CA -0.956 55.599 56.400 0.258 0.000 0.812 325 E CB 0.924 30.793 29.700 0.281 0.000 1.313 325 E HN 0.233 nan 8.360 nan 0.000 0.456 326 M N 0.785 120.488 119.600 0.172 0.000 2.460 326 M HA -0.055 4.424 4.480 -0.001 0.000 0.263 326 M C 1.557 177.945 176.300 0.146 0.000 1.071 326 M CA 1.623 57.010 55.300 0.144 0.000 1.096 326 M CB -1.078 31.589 32.600 0.111 0.000 1.408 326 M HN 0.756 nan 8.290 nan 0.000 0.463 327 S N -0.650 115.156 115.700 0.176 0.000 2.522 327 S HA 0.157 4.626 4.470 -0.001 0.000 0.227 327 S C 1.536 176.199 174.600 0.105 0.000 0.986 327 S CA 1.035 59.333 58.200 0.164 0.000 0.929 327 S CB -0.077 63.261 63.200 0.231 0.000 0.769 327 S HN 0.630 nan 8.310 nan 0.000 0.529 328 G N -0.203 108.663 108.800 0.109 0.000 2.205 328 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.180 328 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.180 328 G C -0.267 174.585 174.900 -0.081 0.000 1.004 328 G CA -0.246 44.845 45.100 -0.015 0.000 0.670 328 G HN 0.652 nan 8.290 nan 0.000 0.496 329 H N 0.068 119.162 119.070 0.040 0.000 2.722 329 H HA 0.563 5.119 4.556 -0.001 0.000 0.328 329 H C 0.008 175.308 175.328 -0.046 0.000 1.067 329 H CA 0.248 56.250 56.048 -0.078 0.000 1.447 329 H CB 1.631 31.340 29.762 -0.089 0.000 1.469 329 H HN 0.167 nan 8.280 nan 0.000 0.544 330 V N 5.005 124.870 119.914 -0.082 0.000 2.588 330 V HA 0.292 4.412 4.120 -0.001 0.000 0.304 330 V C -0.921 175.104 176.094 -0.116 0.000 1.042 330 V CA -0.802 61.519 62.300 0.035 0.000 0.877 330 V CB 1.088 33.004 31.823 0.156 0.000 0.996 330 V HN 0.548 nan 8.190 nan 0.000 0.425 331 F N 4.282 124.289 119.950 0.095 0.000 2.427 331 F HA 0.643 5.170 4.527 -0.001 0.000 0.348 331 F C -0.407 175.391 175.800 -0.003 0.000 1.125 331 F CA -0.717 57.371 58.000 0.147 0.000 0.989 331 F CB 1.264 40.343 39.000 0.131 0.000 1.165 331 F HN 0.265 nan 8.300 nan 0.000 0.442 332 F N 2.772 122.896 119.950 0.290 0.000 2.415 332 F HA 0.409 4.935 4.527 -0.001 0.000 0.348 332 F C 1.166 177.106 175.800 0.233 0.000 1.119 332 F CA -0.554 57.573 58.000 0.212 0.000 1.069 332 F CB 1.847 40.962 39.000 0.192 0.000 1.124 332 F HN 0.382 nan 8.300 nan 0.000 0.472 333 K N 1.477 122.046 120.400 0.282 0.000 2.287 333 K HA 0.041 4.361 4.320 -0.001 0.000 0.199 333 K C 0.450 177.139 176.600 0.148 0.000 1.061 333 K CA 0.411 56.798 56.287 0.167 0.000 0.976 333 K CB 0.079 32.628 32.500 0.082 0.000 0.898 333 K HN 0.534 nan 8.250 nan 0.000 0.492 334 E N 1.887 122.197 120.200 0.184 0.000 2.493 334 E HA -0.066 4.284 4.350 -0.001 0.000 0.255 334 E C -0.606 176.098 176.600 0.172 0.000 0.999 334 E CA 0.373 56.861 56.400 0.147 0.000 0.934 334 E CB 0.145 29.936 29.700 0.153 0.000 0.940 334 E HN 0.273 nan 8.360 nan 0.000 0.473 335 R N 1.550 122.097 120.500 0.080 0.000 3.989 335 R HA -0.210 4.129 4.340 -0.001 0.000 0.377 335 R C -0.143 176.216 176.300 0.098 0.000 1.158 335 R CA 1.637 57.777 56.100 0.067 0.000 1.035 335 R CB -1.517 28.835 30.300 0.087 0.000 1.557 335 R HN 0.764 nan 8.270 nan 0.000 0.551 336 W N -1.917 119.189 121.300 -0.323 0.000 3.440 336 W HA 0.337 4.996 4.660 -0.001 0.000 0.407 336 W C -0.639 175.478 176.519 -0.670 0.000 1.078 336 W CA -0.552 56.447 57.345 -0.575 0.000 1.240 336 W CB 0.289 29.423 29.460 -0.543 0.000 1.485 336 W HN -0.183 nan 8.180 nan 0.000 0.633 337 F N 0.546 120.072 119.950 -0.707 0.000 2.752 337 F HA 0.297 4.824 4.527 -0.001 0.000 0.310 337 F C 1.593 177.214 175.800 -0.298 0.000 1.097 337 F CA 1.050 58.699 58.000 -0.585 0.000 1.238 337 F CB 0.871 39.351 39.000 -0.868 0.000 1.061 337 F HN 0.609 nan 8.300 nan 0.000 0.591 338 G N 0.657 109.430 108.800 -0.046 0.000 2.195 338 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.224 338 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.224 338 G C 0.230 175.331 174.900 0.334 0.000 0.990 338 G CA -0.042 45.151 45.100 0.154 0.000 0.639 338 G HN 0.240 nan 8.290 nan 0.000 0.514 339 F N 2.224 122.409 119.950 0.391 0.000 2.378 339 F HA 0.694 5.221 4.527 -0.001 0.000 0.325 339 F C 0.332 176.403 175.800 0.452 0.000 1.097 339 F CA -2.055 56.182 58.000 0.395 0.000 1.079 339 F CB 0.422 39.530 39.000 0.180 0.000 1.240 339 F HN 0.126 nan 8.300 nan 0.000 0.519 340 D N 0.491 121.167 120.400 0.460 0.000 2.382 340 D HA 0.275 4.915 4.640 -0.001 0.000 0.245 340 D C -1.075 175.524 176.300 0.498 0.000 1.120 340 D CA -0.073 53.944 54.000 0.030 0.000 0.890 340 D CB 1.470 41.957 40.800 -0.521 0.000 1.201 340 D HN 0.672 nan 8.370 nan 0.000 0.433 341 D N 0.365 121.000 120.400 0.391 0.000 2.419 341 D HA 0.216 4.855 4.640 -0.001 0.000 0.219 341 D C 0.949 177.447 176.300 0.330 0.000 1.349 341 D CA -0.632 53.652 54.000 0.473 0.000 0.964 341 D CB 1.264 42.528 40.800 0.774 0.000 1.463 341 D HN 0.399 nan 8.370 nan 0.000 0.573 342 G N 2.632 111.599 108.800 0.277 0.000 2.422 342 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.218 342 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.218 342 G C 1.616 176.782 174.900 0.444 0.000 1.140 342 G CA 0.586 45.872 45.100 0.309 0.000 0.775 342 G HN 0.583 nan 8.290 nan 0.000 0.545 343 I N -0.962 119.843 120.570 0.392 0.000 2.252 343 I HA -0.117 4.053 4.170 -0.001 0.000 0.245 343 I C 2.413 178.615 176.117 0.143 0.000 1.102 343 I CA 0.913 62.383 61.300 0.284 0.000 1.385 343 I CB -0.255 37.845 38.000 0.167 0.000 1.064 343 I HN 0.163 nan 8.210 nan 0.000 0.414 344 Y N 1.446 121.715 120.300 -0.053 0.000 2.200 344 Y HA -0.240 4.310 4.550 -0.001 0.000 0.290 344 Y C 2.802 178.468 175.900 -0.390 0.000 1.137 344 Y CA 1.507 59.350 58.100 -0.428 0.000 1.163 344 Y CB -0.317 37.660 38.460 -0.805 0.000 0.988 344 Y HN 0.030 nan 8.280 nan 0.000 0.518 345 S N 0.131 115.751 115.700 -0.133 0.000 2.370 345 S HA -0.260 4.210 4.470 -0.001 0.000 0.226 345 S C 2.282 176.879 174.600 -0.005 0.000 1.033 345 S CA 1.202 59.370 58.200 -0.054 0.000 1.011 345 S CB -0.842 62.509 63.200 0.252 0.000 0.852 345 S HN 0.637 nan 8.310 nan 0.000 0.457 346 A N 1.479 124.326 122.820 0.045 0.000 1.883 346 A HA 0.041 4.361 4.320 -0.001 0.000 0.217 346 A C 2.364 179.914 177.584 -0.057 0.000 1.186 346 A CA 1.857 53.929 52.037 0.058 0.000 0.624 346 A CB -1.150 17.967 19.000 0.196 0.000 0.822 346 A HN 0.534 nan 8.150 nan 0.000 0.444 347 A N -0.572 122.126 122.820 -0.203 0.000 1.902 347 A HA -0.156 4.164 4.320 -0.001 0.000 0.217 347 A C 2.224 179.578 177.584 -0.385 0.000 1.181 347 A CA 1.498 53.351 52.037 -0.307 0.000 0.623 347 A CB -0.450 18.292 19.000 -0.429 0.000 0.818 347 A HN 0.401 nan 8.150 nan 0.000 0.443 348 R N -0.911 119.215 120.500 -0.622 0.000 2.096 348 R HA -0.100 4.239 4.340 -0.001 0.000 0.235 348 R C 2.069 178.330 176.300 -0.064 0.000 1.127 348 R CA 1.379 57.133 56.100 -0.577 0.000 0.968 348 R CB -1.276 28.308 30.300 -1.193 0.000 0.861 348 R HN 0.547 nan 8.270 nan 0.000 0.440 349 L N 1.088 122.413 121.223 0.171 0.000 2.046 349 L HA -0.104 4.236 4.340 -0.001 0.000 0.208 349 L C 2.151 179.060 176.870 0.064 0.000 1.077 349 L CA 1.551 56.539 54.840 0.248 0.000 0.747 349 L CB -0.563 41.639 42.059 0.239 0.000 0.896 349 L HN 0.070 nan 8.230 nan 0.000 0.432 350 L N -0.528 120.696 121.223 0.001 0.000 2.083 350 L HA -0.219 4.121 4.340 -0.001 0.000 0.209 350 L C 2.596 179.437 176.870 -0.048 0.000 1.083 350 L CA 1.675 56.500 54.840 -0.026 0.000 0.752 350 L CB -0.604 41.429 42.059 -0.042 0.000 0.899 350 L HN 0.461 nan 8.230 nan 0.000 0.433 351 E N 0.872 121.024 120.200 -0.079 0.000 2.038 351 E HA -0.254 4.096 4.350 -0.001 0.000 0.195 351 E C 2.276 178.842 176.600 -0.056 0.000 1.000 351 E CA 1.590 57.938 56.400 -0.086 0.000 0.803 351 E CB -0.080 29.541 29.700 -0.133 0.000 0.750 351 E HN 0.444 nan 8.360 nan 0.000 0.448 352 I N 0.833 121.385 120.570 -0.029 0.000 2.142 352 I HA -0.290 3.880 4.170 -0.001 0.000 0.240 352 I C 2.488 178.572 176.117 -0.054 0.000 1.078 352 I CA 0.924 62.209 61.300 -0.025 0.000 1.343 352 I CB -0.216 37.797 38.000 0.022 0.000 1.046 352 I HN 0.211 nan 8.210 nan 0.000 0.405 353 L N 0.427 121.617 121.223 -0.055 0.000 2.131 353 L HA -0.205 4.134 4.340 -0.001 0.000 0.210 353 L C 2.734 179.571 176.870 -0.055 0.000 1.092 353 L CA 1.645 56.442 54.840 -0.071 0.000 0.759 353 L CB -0.711 41.320 42.059 -0.046 0.000 0.903 353 L HN 0.402 nan 8.230 nan 0.000 0.435 354 S N -0.922 114.750 115.700 -0.046 0.000 2.447 354 S HA -0.190 4.279 4.470 -0.001 0.000 0.233 354 S C 1.643 176.216 174.600 -0.044 0.000 1.006 354 S CA 0.666 58.841 58.200 -0.041 0.000 0.957 354 S CB -0.194 62.981 63.200 -0.041 0.000 0.773 354 S HN 0.531 nan 8.310 nan 0.000 0.507 355 Q N 0.653 120.423 119.800 -0.050 0.000 2.320 355 Q HA 0.286 4.625 4.340 -0.001 0.000 0.201 355 Q C -0.566 175.401 176.000 -0.055 0.000 0.910 355 Q CA -0.011 55.763 55.803 -0.049 0.000 0.946 355 Q CB 0.292 29.001 28.738 -0.048 0.000 1.062 355 Q HN 0.493 nan 8.270 nan 0.000 0.503 356 D N -0.517 119.847 120.400 -0.061 0.000 2.505 356 D HA 0.152 4.791 4.640 -0.001 0.000 0.249 356 D C 0.496 176.760 176.300 -0.060 0.000 1.082 356 D CA 0.037 53.995 54.000 -0.070 0.000 0.839 356 D CB 1.594 42.338 40.800 -0.094 0.000 1.317 356 D HN 0.110 nan 8.370 nan 0.000 0.497 357 Q N 3.424 123.189 119.800 -0.058 0.000 2.369 357 Q HA -0.032 4.307 4.340 -0.001 0.000 0.206 357 Q C 1.078 177.044 176.000 -0.057 0.000 0.963 357 Q CA 0.815 56.587 55.803 -0.053 0.000 0.894 357 Q CB -0.279 28.428 28.738 -0.051 0.000 0.965 357 Q HN 0.462 nan 8.270 nan 0.000 0.475 358 R N 1.961 122.422 120.500 -0.065 0.000 2.679 358 R HA 0.340 4.679 4.340 -0.001 0.000 0.269 358 R C -0.381 175.904 176.300 -0.024 0.000 1.076 358 R CA -0.154 55.908 56.100 -0.062 0.000 1.160 358 R CB 0.423 30.686 30.300 -0.061 0.000 1.054 358 R HN 0.684 nan 8.270 nan 0.000 0.507 359 D N -0.297 120.116 120.400 0.022 0.000 2.358 359 D HA -0.047 4.593 4.640 -0.001 0.000 0.244 359 D C 0.767 177.108 176.300 0.069 0.000 1.163 359 D CA -0.393 53.642 54.000 0.058 0.000 0.945 359 D CB 0.716 41.573 40.800 0.095 0.000 1.152 359 D HN 0.434 nan 8.370 nan 0.000 0.451 360 S N -0.289 115.449 115.700 0.062 0.000 2.399 360 S HA -0.273 4.197 4.470 -0.001 0.000 0.231 360 S C 1.639 176.334 174.600 0.159 0.000 1.022 360 S CA 1.182 59.434 58.200 0.088 0.000 0.983 360 S CB -0.525 62.754 63.200 0.132 0.000 0.803 360 S HN 0.593 nan 8.310 nan 0.000 0.480 361 E N 1.900 122.166 120.200 0.110 0.000 2.058 361 E HA -0.224 4.125 4.350 -0.001 0.000 0.194 361 E C 1.970 178.555 176.600 -0.024 0.000 0.997 361 E CA 1.930 58.353 56.400 0.037 0.000 0.801 361 E CB -0.640 29.026 29.700 -0.057 0.000 0.746 361 E HN 0.767 nan 8.360 nan 0.000 0.450 362 H N -0.749 118.332 119.070 0.017 0.000 2.428 362 H HA 0.003 4.558 4.556 -0.001 0.000 0.296 362 H C 2.188 177.470 175.328 -0.078 0.000 1.062 362 H CA 1.233 57.269 56.048 -0.021 0.000 1.350 362 H CB 0.151 29.890 29.762 -0.038 0.000 1.403 362 H HN 0.105 nan 8.280 nan 0.000 0.533 363 V N 0.747 120.652 119.914 -0.015 0.000 2.287 363 V HA -0.254 3.865 4.120 -0.001 0.000 0.248 363 V C 2.171 178.097 176.094 -0.280 0.000 1.053 363 V CA 1.771 63.935 62.300 -0.225 0.000 1.027 363 V CB -0.754 30.865 31.823 -0.341 0.000 0.646 363 V HN 0.235 nan 8.190 nan 0.000 0.447 364 F N 0.871 120.816 119.950 -0.008 0.000 2.234 364 F HA -0.126 4.401 4.527 -0.001 0.000 0.296 364 F C 2.731 178.574 175.800 0.071 0.000 1.089 364 F CA 1.256 59.309 58.000 0.088 0.000 1.343 364 F CB -0.419 38.619 39.000 0.062 0.000 1.040 364 F HN 0.250 nan 8.300 nan 0.000 0.498 365 S N 0.264 116.053 115.700 0.149 0.000 2.447 365 S HA -0.099 4.371 4.470 -0.001 0.000 0.233 365 S C 2.067 176.693 174.600 0.044 0.000 1.006 365 S CA 0.664 58.905 58.200 0.068 0.000 0.957 365 S CB -0.624 62.546 63.200 -0.049 0.000 0.773 365 S HN 0.239 nan 8.310 nan 0.000 0.507 366 A N 0.858 123.657 122.820 -0.036 0.000 2.015 366 A HA 0.258 4.578 4.320 -0.001 0.000 0.219 366 A C 0.614 178.146 177.584 -0.087 0.000 1.163 366 A CA 0.303 52.278 52.037 -0.103 0.000 0.646 366 A CB -0.758 18.114 19.000 -0.214 0.000 0.806 366 A HN 0.486 nan 8.150 nan 0.000 0.448 367 F N 0.465 120.448 119.950 0.054 0.000 2.496 367 F HA 0.324 4.851 4.527 -0.001 0.000 0.344 367 F C -1.845 173.982 175.800 0.045 0.000 1.155 367 F CA -2.272 55.762 58.000 0.055 0.000 1.302 367 F CB -0.113 38.932 39.000 0.076 0.000 1.159 367 F HN -0.012 nan 8.300 nan 0.000 0.595 368 P HA 0.137 nan 4.420 nan 0.000 0.268 368 P C -1.048 176.328 177.300 0.126 0.000 1.204 368 P CA -0.205 62.978 63.100 0.139 0.000 0.768 368 P CB 0.641 32.403 31.700 0.104 0.000 0.842 369 S N 1.165 116.920 115.700 0.092 0.000 2.526 369 S HA 0.670 5.140 4.470 -0.001 0.000 0.293 369 S C -0.891 173.741 174.600 0.052 0.000 1.092 369 S CA -0.784 57.461 58.200 0.074 0.000 0.980 369 S CB 1.828 65.069 63.200 0.068 0.000 1.048 369 S HN 0.177 nan 8.310 nan 0.000 0.483 370 D N 0.728 121.154 120.400 0.045 0.000 2.525 370 D HA 0.520 5.160 4.640 -0.001 0.000 0.249 370 D C -0.233 176.065 176.300 -0.003 0.000 1.072 370 D CA -0.745 53.271 54.000 0.027 0.000 1.067 370 D CB 1.139 41.966 40.800 0.044 0.000 1.282 370 D HN 0.595 nan 8.370 nan 0.000 0.587 371 I N 0.968 121.523 120.570 -0.024 0.000 2.416 371 I HA 0.176 4.345 4.170 -0.001 0.000 0.288 371 I C 0.435 176.501 176.117 -0.086 0.000 1.051 371 I CA 0.044 61.316 61.300 -0.047 0.000 1.375 371 I CB 0.647 38.618 38.000 -0.047 0.000 1.407 371 I HN 0.195 nan 8.210 nan 0.000 0.516 372 S N 3.066 118.708 115.700 -0.095 0.000 2.548 372 S HA 0.624 5.093 4.470 -0.001 0.000 0.286 372 S C -0.261 174.262 174.600 -0.128 0.000 1.098 372 S CA -0.815 57.300 58.200 -0.142 0.000 0.930 372 S CB 1.825 64.936 63.200 -0.148 0.000 1.070 372 S HN 0.660 nan 8.310 nan 0.000 0.480 373 T N 0.050 114.519 114.554 -0.141 0.000 2.913 373 T HA 0.616 4.966 4.350 -0.001 0.000 0.287 373 T C -2.666 171.960 174.700 -0.122 0.000 1.008 373 T CA -1.435 60.602 62.100 -0.106 0.000 1.067 373 T CB -0.187 68.641 68.868 -0.066 0.000 0.996 373 T HN 0.482 nan 8.240 nan 0.000 0.513 374 P HA 0.171 nan 4.420 nan 0.000 0.269 374 P C -0.076 177.161 177.300 -0.105 0.000 1.215 374 P CA -0.422 62.618 63.100 -0.100 0.000 0.780 374 P CB 0.301 31.964 31.700 -0.061 0.000 0.898 375 E N 1.524 121.656 120.200 -0.112 0.000 2.452 375 E HA 0.055 4.405 4.350 -0.001 0.000 0.261 375 E C -0.656 175.902 176.600 -0.071 0.000 0.987 375 E CA 0.041 56.375 56.400 -0.110 0.000 0.926 375 E CB 0.090 29.739 29.700 -0.084 0.000 0.934 375 E HN 0.267 nan 8.360 nan 0.000 0.452 376 I N 4.272 124.794 120.570 -0.081 0.000 2.412 376 I HA 0.256 4.425 4.170 -0.001 0.000 0.296 376 I C -0.402 175.721 176.117 0.011 0.000 0.987 376 I CA -0.847 60.444 61.300 -0.014 0.000 1.180 376 I CB 1.577 39.572 38.000 -0.008 0.000 1.340 376 I HN 0.451 nan 8.210 nan 0.000 0.455 377 N N 6.627 125.354 118.700 0.044 0.000 2.354 377 N HA 0.574 5.314 4.740 -0.001 0.000 0.287 377 N C -1.040 174.515 175.510 0.075 0.000 1.016 377 N CA -0.369 52.709 53.050 0.047 0.000 0.871 377 N CB 2.245 40.750 38.487 0.031 0.000 1.299 377 N HN 0.405 nan 8.380 nan 0.000 0.482 378 I N 1.494 122.113 120.570 0.081 0.000 2.382 378 I HA 0.210 4.379 4.170 -0.001 0.000 0.285 378 I C 0.045 176.191 176.117 0.049 0.000 1.007 378 I CA -0.559 60.792 61.300 0.085 0.000 1.142 378 I CB 1.416 39.487 38.000 0.120 0.000 1.289 378 I HN 0.226 nan 8.210 nan 0.000 0.453 379 T N 6.346 120.922 114.554 0.036 0.000 2.834 379 T HA 0.260 4.609 4.350 -0.001 0.000 0.298 379 T C 0.692 175.401 174.700 0.015 0.000 0.966 379 T CA -0.319 61.793 62.100 0.020 0.000 1.141 379 T CB 0.908 69.786 68.868 0.018 0.000 0.905 379 T HN 0.502 nan 8.240 nan 0.000 0.535 380 V N 1.258 121.173 119.914 0.002 0.000 6.654 380 V HA 0.885 5.005 4.120 -0.001 0.000 0.271 380 V C 0.310 176.397 176.094 -0.012 0.000 1.660 380 V CA -0.332 61.966 62.300 -0.003 0.000 0.586 380 V CB 0.965 32.784 31.823 -0.007 0.000 1.532 380 V HN 0.869 nan 8.190 nan 0.000 0.371 381 T N -3.728 110.812 114.554 -0.023 0.000 2.883 381 T HA 0.529 4.878 4.350 -0.001 0.000 0.301 381 T C 0.304 174.978 174.700 -0.043 0.000 1.158 381 T CA 0.116 62.203 62.100 -0.021 0.000 1.007 381 T CB 2.142 71.005 68.868 -0.007 0.000 1.186 381 T HN 0.601 nan 8.240 nan 0.000 0.499 382 E N 0.343 120.523 120.200 -0.034 0.000 2.204 382 E HA -0.084 4.266 4.350 -0.001 0.000 0.195 382 E C 1.333 177.918 176.600 -0.025 0.000 0.990 382 E CA 1.386 57.758 56.400 -0.047 0.000 0.821 382 E CB -0.255 29.438 29.700 -0.011 0.000 0.750 382 E HN 0.655 nan 8.360 nan 0.000 0.477 383 D N -1.210 119.190 120.400 -0.001 0.000 2.183 383 D HA -0.074 4.565 4.640 -0.001 0.000 0.203 383 D C 1.776 178.090 176.300 0.024 0.000 0.969 383 D CA 1.425 55.438 54.000 0.023 0.000 0.842 383 D CB -0.115 40.699 40.800 0.023 0.000 0.957 383 D HN 0.272 nan 8.370 nan 0.000 0.484 384 S N 0.136 115.836 115.700 -0.000 0.000 2.503 384 S HA -0.028 4.442 4.470 -0.001 0.000 0.215 384 S C 1.756 176.350 174.600 -0.011 0.000 1.003 384 S CA 0.069 58.273 58.200 0.008 0.000 0.910 384 S CB 0.163 63.367 63.200 0.006 0.000 0.790 384 S HN 0.283 nan 8.310 nan 0.000 0.514 385 K N 1.359 121.703 120.400 -0.093 0.000 2.009 385 K HA -0.116 4.204 4.320 -0.001 0.000 0.210 385 K C 1.598 178.115 176.600 -0.138 0.000 1.049 385 K CA 1.690 57.866 56.287 -0.183 0.000 0.929 385 K CB -0.919 31.357 32.500 -0.374 0.000 0.714 385 K HN 0.405 nan 8.250 nan 0.000 0.440 386 F N 1.517 121.487 119.950 0.033 0.000 2.186 386 F HA -0.042 4.485 4.527 -0.001 0.000 0.299 386 F C 2.807 178.627 175.800 0.033 0.000 1.090 386 F CA 0.597 58.616 58.000 0.030 0.000 1.307 386 F CB -0.258 38.755 39.000 0.022 0.000 1.019 386 F HN 0.218 nan 8.300 nan 0.000 0.489 387 A N 0.668 123.610 122.820 0.204 0.000 1.933 387 A HA -0.156 4.164 4.320 -0.001 0.000 0.218 387 A C 2.131 179.775 177.584 0.100 0.000 1.175 387 A CA 1.481 53.594 52.037 0.127 0.000 0.628 387 A CB -1.051 18.004 19.000 0.092 0.000 0.814 387 A HN 0.410 nan 8.150 nan 0.000 0.444 388 I N -0.033 120.590 120.570 0.088 0.000 2.163 388 I HA -0.254 3.915 4.170 -0.001 0.000 0.243 388 I C 2.171 178.355 176.117 0.111 0.000 1.085 388 I CA 0.988 62.339 61.300 0.084 0.000 1.347 388 I CB -0.337 37.708 38.000 0.073 0.000 1.044 388 I HN 0.238 nan 8.210 nan 0.000 0.408 389 I N 0.850 121.500 120.570 0.132 0.000 2.226 389 I HA -0.263 3.907 4.170 -0.001 0.000 0.245 389 I C 2.471 178.668 176.117 0.133 0.000 1.100 389 I CA 1.754 63.144 61.300 0.150 0.000 1.374 389 I CB -1.320 36.782 38.000 0.170 0.000 1.057 389 I HN 0.341 nan 8.210 nan 0.000 0.413 390 E N 0.913 121.186 120.200 0.122 0.000 2.110 390 E HA -0.169 4.181 4.350 -0.001 0.000 0.193 390 E C 2.341 178.988 176.600 0.077 0.000 0.988 390 E CA 1.384 57.839 56.400 0.091 0.000 0.804 390 E CB -0.158 29.590 29.700 0.080 0.000 0.745 390 E HN 0.505 nan 8.360 nan 0.000 0.458 391 A N 1.050 123.915 122.820 0.075 0.000 1.898 391 A HA -0.147 4.172 4.320 -0.001 0.000 0.216 391 A C 2.177 179.795 177.584 0.057 0.000 1.181 391 A CA 0.980 53.050 52.037 0.054 0.000 0.620 391 A CB -0.585 18.442 19.000 0.044 0.000 0.819 391 A HN 0.128 nan 8.150 nan 0.000 0.442 392 L N -0.856 120.423 121.223 0.093 0.000 2.017 392 L HA -0.270 4.070 4.340 -0.001 0.000 0.208 392 L C 2.897 179.872 176.870 0.175 0.000 1.073 392 L CA 1.711 56.632 54.840 0.134 0.000 0.745 392 L CB -0.637 41.571 42.059 0.248 0.000 0.894 392 L HN 0.485 nan 8.230 nan 0.000 0.432 393 Q N -0.538 119.355 119.800 0.156 0.000 2.170 393 Q HA -0.182 4.157 4.340 -0.001 0.000 0.203 393 Q C 2.357 178.418 176.000 0.101 0.000 0.976 393 Q CA 1.264 57.150 55.803 0.138 0.000 0.858 393 Q CB -0.016 28.777 28.738 0.092 0.000 0.907 393 Q HN 0.468 nan 8.270 nan 0.000 0.433 394 R N 0.021 120.563 120.500 0.070 0.000 2.062 394 R HA -0.048 4.292 4.340 -0.001 0.000 0.226 394 R C 0.785 177.103 176.300 0.030 0.000 1.125 394 R CA 1.193 57.319 56.100 0.044 0.000 0.966 394 R CB 0.260 30.578 30.300 0.030 0.000 0.861 394 R HN 0.204 nan 8.270 nan 0.000 0.433 395 D N -0.725 119.682 120.400 0.011 0.000 2.500 395 D HA 0.171 4.810 4.640 -0.001 0.000 0.218 395 D C -0.115 176.124 176.300 -0.101 0.000 1.140 395 D CA -0.026 53.955 54.000 -0.031 0.000 0.830 395 D CB 0.666 41.444 40.800 -0.037 0.000 1.055 395 D HN 0.097 nan 8.370 nan 0.000 0.512 396 A N 0.848 123.586 122.820 -0.137 0.000 2.406 396 A HA 0.284 4.604 4.320 -0.001 0.000 0.243 396 A C 0.317 177.585 177.584 -0.528 0.000 1.082 396 A CA 0.070 51.847 52.037 -0.433 0.000 0.786 396 A CB 0.470 19.064 19.000 -0.676 0.000 1.029 396 A HN -0.086 nan 8.150 nan 0.000 0.495 397 Q N 0.417 119.805 119.800 -0.685 0.000 2.325 397 Q HA 0.281 4.620 4.340 -0.001 0.000 0.270 397 Q C -1.034 174.640 176.000 -0.543 0.000 1.020 397 Q CA 0.016 55.561 55.803 -0.430 0.000 0.785 397 Q CB 1.418 30.019 28.738 -0.227 0.000 1.259 397 Q HN 0.926 nan 8.270 nan 0.000 0.452 398 W N 1.634 122.946 121.300 0.020 0.000 3.103 398 W HA 0.323 4.982 4.660 -0.001 0.000 0.325 398 W C 1.134 177.769 176.519 0.193 0.000 1.170 398 W CA 0.336 57.729 57.345 0.079 0.000 1.712 398 W CB 0.907 30.390 29.460 0.038 0.000 1.068 398 W HN 0.995 nan 8.180 nan 0.000 0.592 399 G N 1.369 110.344 108.800 0.292 0.000 2.568 399 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.222 399 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.222 399 G C -0.526 174.545 174.900 0.284 0.000 1.321 399 G CA -0.801 44.451 45.100 0.253 0.000 0.893 399 G HN -0.039 nan 8.290 nan 0.000 0.569 400 E N 1.603 121.968 120.200 0.275 0.000 2.052 400 E HA 0.546 4.896 4.350 -0.001 0.000 0.283 400 E C 0.574 177.345 176.600 0.285 0.000 1.071 400 E CA 0.724 57.257 56.400 0.222 0.000 0.851 400 E CB 0.629 30.428 29.700 0.166 0.000 1.066 400 E HN 1.526 nan 8.360 nan 0.000 0.396 401 G N 2.623 111.502 108.800 0.131 0.000 2.547 401 G HA2 0.156 4.115 3.960 -0.001 0.000 0.291 401 G HA3 0.156 4.115 3.960 -0.001 0.000 0.291 401 G C -1.101 173.737 174.900 -0.105 0.000 1.471 401 G CA -0.928 44.119 45.100 -0.089 0.000 0.798 401 G HN 0.256 nan 8.290 nan 0.000 0.504 402 N N 0.453 119.060 118.700 -0.155 0.000 2.414 402 N HA 0.388 5.128 4.740 -0.001 0.000 0.256 402 N C -0.298 175.117 175.510 -0.158 0.000 1.029 402 N CA -0.150 52.837 53.050 -0.105 0.000 0.948 402 N CB 1.785 40.228 38.487 -0.072 0.000 1.102 402 N HN 0.380 nan 8.380 nan 0.000 0.496 403 I N 1.336 121.831 120.570 -0.125 0.000 2.353 403 I HA 0.189 4.359 4.170 -0.001 0.000 0.293 403 I C 0.280 176.324 176.117 -0.122 0.000 0.992 403 I CA -0.150 61.050 61.300 -0.167 0.000 1.268 403 I CB 1.172 39.103 38.000 -0.114 0.000 1.387 403 I HN 0.183 nan 8.210 nan 0.000 0.478 404 T N 3.120 117.586 114.554 -0.147 0.000 2.809 404 T HA 0.280 4.630 4.350 -0.001 0.000 0.284 404 T C 0.528 175.158 174.700 -0.117 0.000 0.992 404 T CA -0.555 61.475 62.100 -0.116 0.000 0.957 404 T CB 1.116 69.910 68.868 -0.125 0.000 0.942 404 T HN 0.748 nan 8.240 nan 0.000 0.439 405 T N 1.059 115.557 114.554 -0.092 0.000 3.215 405 T HA 0.277 4.627 4.350 -0.001 0.000 0.271 405 T C 1.666 176.300 174.700 -0.110 0.000 1.012 405 T CA -0.314 61.740 62.100 -0.078 0.000 0.899 405 T CB -0.411 68.438 68.868 -0.033 0.000 1.089 405 T HN 0.411 nan 8.240 nan 0.000 0.552 406 L N 0.566 121.686 121.223 -0.170 0.000 2.131 406 L HA 0.140 4.480 4.340 -0.001 0.000 0.210 406 L C 0.813 177.516 176.870 -0.278 0.000 1.092 406 L CA 1.112 55.781 54.840 -0.284 0.000 0.759 406 L CB -0.073 41.710 42.059 -0.460 0.000 0.903 406 L HN 0.345 nan 8.230 nan 0.000 0.435 407 D N -0.645 119.635 120.400 -0.201 0.000 2.337 407 D HA 0.393 5.032 4.640 -0.001 0.000 0.238 407 D C 0.150 176.410 176.300 -0.067 0.000 1.331 407 D CA 0.772 54.685 54.000 -0.144 0.000 0.967 407 D CB 0.465 41.150 40.800 -0.192 0.000 1.382 407 D HN 0.220 nan 8.370 nan 0.000 0.549 408 G N 1.099 109.890 108.800 -0.015 0.000 2.525 408 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.248 408 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.248 408 G C -0.982 173.923 174.900 0.009 0.000 1.238 408 G CA -0.061 45.057 45.100 0.030 0.000 0.926 408 G HN 0.924 nan 8.290 nan 0.000 0.574 409 V N 0.919 120.845 119.914 0.020 0.000 2.482 409 V HA 0.712 4.831 4.120 -0.001 0.000 0.295 409 V C 0.295 176.346 176.094 -0.072 0.000 1.026 409 V CA -0.174 62.088 62.300 -0.063 0.000 0.856 409 V CB 1.544 33.317 31.823 -0.084 0.000 1.001 409 V HN 0.963 nan 8.190 nan 0.000 0.424 410 R N 3.574 123.999 120.500 -0.124 0.000 2.562 410 R HA 0.844 5.184 4.340 -0.001 0.000 0.298 410 R C -1.792 174.406 176.300 -0.170 0.000 0.961 410 R CA -0.421 55.642 56.100 -0.060 0.000 0.881 410 R CB 2.091 32.351 30.300 -0.067 0.000 1.159 410 R HN 0.507 nan 8.270 nan 0.000 0.450 411 V N 3.518 123.381 119.914 -0.084 0.000 2.444 411 V HA 0.283 4.403 4.120 -0.001 0.000 0.294 411 V C -1.076 174.906 176.094 -0.187 0.000 1.022 411 V CA -0.829 61.306 62.300 -0.276 0.000 0.850 411 V CB 1.834 33.389 31.823 -0.447 0.000 0.992 411 V HN 0.838 nan 8.190 nan 0.000 0.426 412 D N 3.752 124.010 120.400 -0.237 0.000 2.329 412 D HA 0.527 5.167 4.640 -0.001 0.000 0.232 412 D C -0.762 175.414 176.300 -0.207 0.000 1.088 412 D CA -0.054 53.888 54.000 -0.096 0.000 0.835 412 D CB 0.965 41.736 40.800 -0.048 0.000 1.078 412 D HN 0.455 nan 8.370 nan 0.000 0.495 413 Y N 1.907 122.309 120.300 0.170 0.000 2.458 413 Y HA 0.279 4.828 4.550 -0.001 0.000 0.322 413 Y C -1.107 174.862 175.900 0.114 0.000 1.259 413 Y CA -2.043 56.140 58.100 0.137 0.000 1.302 413 Y CB 0.426 38.975 38.460 0.148 0.000 1.314 413 Y HN 0.350 nan 8.280 nan 0.000 0.509 414 P HA -0.128 nan 4.420 nan 0.000 0.218 414 P C 0.142 177.535 177.300 0.156 0.000 1.148 414 P CA 1.872 65.072 63.100 0.165 0.000 0.822 414 P CB 0.198 31.977 31.700 0.133 0.000 0.784 415 K N -1.486 119.019 120.400 0.176 0.000 2.414 415 K HA 0.444 4.763 4.320 -0.001 0.000 0.204 415 K C 0.716 177.408 176.600 0.154 0.000 1.026 415 K CA -0.091 56.276 56.287 0.133 0.000 1.108 415 K CB 0.991 33.540 32.500 0.082 0.000 0.855 415 K HN 0.131 nan 8.250 nan 0.000 0.517 416 G N 0.952 109.900 108.800 0.247 0.000 2.321 416 G HA2 0.282 4.241 3.960 -0.001 0.000 0.296 416 G HA3 0.282 4.241 3.960 -0.001 0.000 0.296 416 G C -2.254 172.900 174.900 0.422 0.000 1.287 416 G CA -0.944 44.303 45.100 0.246 0.000 0.846 416 G HN 0.137 nan 8.290 nan 0.000 0.508 417 W N -0.796 120.604 121.300 0.166 0.000 3.066 417 W HA 0.769 5.429 4.660 -0.001 0.000 0.330 417 W C -0.529 176.030 176.519 0.067 0.000 1.253 417 W CA -1.060 56.362 57.345 0.130 0.000 1.187 417 W CB 1.241 30.705 29.460 0.006 0.000 1.434 417 W HN 1.557 nan 8.180 nan 0.000 0.572 418 G N 1.069 109.968 108.800 0.164 0.000 2.659 418 G HA2 0.671 4.630 3.960 -0.001 0.000 0.296 418 G HA3 0.671 4.630 3.960 -0.001 0.000 0.296 418 G C -2.666 172.069 174.900 -0.275 0.000 1.369 418 G CA -0.933 43.873 45.100 -0.490 0.000 0.937 418 G HN 0.662 nan 8.290 nan 0.000 0.485 419 L N 1.305 122.189 121.223 -0.566 0.000 2.431 419 L HA 0.863 5.202 4.340 -0.001 0.000 0.266 419 L C -1.300 175.438 176.870 -0.221 0.000 0.978 419 L CA -1.023 53.722 54.840 -0.159 0.000 0.822 419 L CB 2.247 44.325 42.059 0.031 0.000 1.310 419 L HN 0.629 nan 8.230 nan 0.000 0.409 420 V N 6.034 125.995 119.914 0.080 0.000 2.577 420 V HA 0.844 4.963 4.120 -0.001 0.000 0.303 420 V C -1.059 175.095 176.094 0.099 0.000 1.042 420 V CA -0.272 62.100 62.300 0.121 0.000 0.872 420 V CB 1.728 33.749 31.823 0.330 0.000 0.998 420 V HN 1.037 nan 8.190 nan 0.000 0.423 421 R N 5.262 125.801 120.500 0.064 0.000 2.799 421 R HA 0.912 5.251 4.340 -0.001 0.000 0.270 421 R C -0.954 175.383 176.300 0.061 0.000 1.010 421 R CA -0.580 55.560 56.100 0.067 0.000 0.916 421 R CB 1.997 32.321 30.300 0.039 0.000 1.228 421 R HN 0.854 nan 8.270 nan 0.000 0.469 422 A N 1.260 124.126 122.820 0.077 0.000 2.331 422 A HA 0.357 4.677 4.320 -0.001 0.000 0.283 422 A C 0.164 177.757 177.584 0.015 0.000 1.142 422 A CA -0.380 51.658 52.037 0.002 0.000 0.812 422 A CB 1.037 19.992 19.000 -0.074 0.000 1.074 422 A HN 0.704 nan 8.150 nan 0.000 0.497 423 S N 1.610 117.294 115.700 -0.027 0.000 2.560 423 S HA -0.001 4.468 4.470 -0.001 0.000 0.284 423 S C 0.975 175.588 174.600 0.021 0.000 1.327 423 S CA -0.373 57.831 58.200 0.006 0.000 1.055 423 S CB 0.026 63.225 63.200 -0.003 0.000 0.868 423 S HN 0.689 nan 8.310 nan 0.000 0.506 424 N N 2.098 120.853 118.700 0.092 0.000 2.446 424 N HA -0.021 4.719 4.740 -0.001 0.000 0.179 424 N C 1.217 176.793 175.510 0.110 0.000 1.054 424 N CA 1.345 54.487 53.050 0.154 0.000 0.905 424 N CB 0.123 38.705 38.487 0.159 0.000 0.973 424 N HN 0.857 nan 8.380 nan 0.000 0.448 425 T N -3.574 111.022 114.554 0.069 0.000 3.058 425 T HA 0.137 4.487 4.350 -0.001 0.000 0.278 425 T C 0.559 175.283 174.700 0.039 0.000 0.974 425 T CA -0.292 61.846 62.100 0.064 0.000 0.893 425 T CB 0.286 69.200 68.868 0.077 0.000 1.138 425 T HN 0.073 nan 8.240 nan 0.000 0.529 426 T N -0.432 114.129 114.554 0.012 0.000 2.896 426 T HA 0.613 4.962 4.350 -0.001 0.000 0.297 426 T C -3.340 171.330 174.700 -0.049 0.000 1.108 426 T CA -1.936 60.163 62.100 -0.003 0.000 1.004 426 T CB 2.080 70.955 68.868 0.011 0.000 1.159 426 T HN -0.202 nan 8.240 nan 0.000 0.499 427 P HA 0.444 nan 4.420 nan 0.000 0.225 427 P C -0.933 176.333 177.300 -0.057 0.000 1.813 427 P CA -0.294 62.759 63.100 -0.077 0.000 1.013 427 P CB -0.196 31.476 31.700 -0.046 0.000 1.961 428 V N 2.856 122.732 119.914 -0.064 0.000 2.888 428 V HA 0.334 4.454 4.120 -0.001 0.000 0.309 428 V C 0.091 176.169 176.094 -0.027 0.000 1.114 428 V CA -0.850 61.435 62.300 -0.026 0.000 0.940 428 V CB 2.841 34.661 31.823 -0.005 0.000 1.021 428 V HN 0.150 nan 8.190 nan 0.000 0.426 429 L N 3.783 125.011 121.223 0.009 0.000 2.307 429 L HA 0.686 5.026 4.340 -0.001 0.000 0.282 429 L C -0.684 176.210 176.870 0.040 0.000 1.051 429 L CA -0.778 54.083 54.840 0.034 0.000 0.804 429 L CB 1.716 43.823 42.059 0.079 0.000 1.197 429 L HN 0.337 nan 8.230 nan 0.000 0.431 430 V N 4.537 124.466 119.914 0.024 0.000 2.448 430 V HA 0.501 4.621 4.120 -0.001 0.000 0.295 430 V C -0.215 175.848 176.094 -0.053 0.000 1.025 430 V CA -0.446 61.851 62.300 -0.006 0.000 0.859 430 V CB 1.855 33.674 31.823 -0.005 0.000 0.988 430 V HN 0.454 nan 8.190 nan 0.000 0.431 431 L N 5.460 126.607 121.223 -0.127 0.000 2.354 431 L HA 0.761 5.101 4.340 -0.001 0.000 0.264 431 L C -0.083 176.498 176.870 -0.481 0.000 1.008 431 L CA -0.457 54.178 54.840 -0.341 0.000 0.819 431 L CB 2.187 44.006 42.059 -0.400 0.000 1.339 431 L HN 0.502 nan 8.230 nan 0.000 0.420 432 R N 1.472 121.506 120.500 -0.776 0.000 2.698 432 R HA 0.735 5.074 4.340 -0.001 0.000 0.275 432 R C -1.805 173.692 176.300 -1.339 0.000 1.001 432 R CA -0.723 54.929 56.100 -0.747 0.000 0.896 432 R CB 2.386 32.477 30.300 -0.350 0.000 1.218 432 R HN 0.369 nan 8.270 nan 0.000 0.462 433 F N 0.231 119.748 119.950 -0.721 0.000 2.578 433 F HA 0.441 4.968 4.527 -0.001 0.000 0.311 433 F C -0.039 175.244 175.800 -0.861 0.000 1.094 433 F CA -0.697 56.787 58.000 -0.860 0.000 0.923 433 F CB 2.635 41.270 39.000 -0.607 0.000 1.230 433 F HN 0.388 nan 8.300 nan 0.000 0.450 434 E N 1.514 121.214 120.200 -0.833 0.000 2.366 434 E HA 0.852 5.201 4.350 -0.001 0.000 0.278 434 E C -1.867 174.545 176.600 -0.313 0.000 0.923 434 E CA -0.842 55.231 56.400 -0.545 0.000 0.761 434 E CB 2.571 31.914 29.700 -0.594 0.000 1.231 434 E HN 0.838 nan 8.360 nan 0.000 0.443 435 A N 2.118 124.858 122.820 -0.133 0.000 2.610 435 A HA 0.361 4.680 4.320 -0.001 0.000 0.291 435 A C -0.534 177.046 177.584 -0.008 0.000 1.086 435 A CA -0.238 51.775 52.037 -0.039 0.000 0.677 435 A CB 1.146 20.117 19.000 -0.048 0.000 1.278 435 A HN 0.774 nan 8.150 nan 0.000 0.414 436 D N -0.156 120.257 120.400 0.021 0.000 2.277 436 D HA 0.065 4.704 4.640 -0.001 0.000 0.208 436 D C 0.801 177.105 176.300 0.006 0.000 0.962 436 D CA 1.831 55.844 54.000 0.023 0.000 0.865 436 D CB -0.210 40.611 40.800 0.037 0.000 0.939 436 D HN 0.793 nan 8.370 nan 0.000 0.510 437 T N -5.887 108.664 114.554 -0.006 0.000 2.901 437 T HA 0.621 4.970 4.350 -0.001 0.000 0.293 437 T C 1.046 175.727 174.700 -0.032 0.000 1.084 437 T CA -0.168 61.923 62.100 -0.015 0.000 1.008 437 T CB 1.572 70.434 68.868 -0.010 0.000 1.170 437 T HN -0.040 nan 8.240 nan 0.000 0.509 438 E N 0.387 120.567 120.200 -0.033 0.000 2.077 438 E HA -0.159 4.191 4.350 -0.001 0.000 0.193 438 E C 1.766 178.337 176.600 -0.048 0.000 0.989 438 E CA 1.991 58.365 56.400 -0.044 0.000 0.800 438 E CB -0.938 28.741 29.700 -0.035 0.000 0.746 438 E HN 0.944 nan 8.360 nan 0.000 0.452 439 E N -0.323 119.855 120.200 -0.038 0.000 2.077 439 E HA -0.250 4.100 4.350 -0.001 0.000 0.193 439 E C 2.282 178.853 176.600 -0.049 0.000 0.989 439 E CA 1.552 57.928 56.400 -0.038 0.000 0.800 439 E CB -0.059 29.624 29.700 -0.027 0.000 0.746 439 E HN 0.479 nan 8.360 nan 0.000 0.452 440 E N 0.347 120.520 120.200 -0.045 0.000 2.106 440 E HA -0.166 4.184 4.350 -0.001 0.000 0.192 440 E C 1.992 178.546 176.600 -0.076 0.000 0.984 440 E CA 0.714 57.083 56.400 -0.052 0.000 0.806 440 E CB -0.321 29.363 29.700 -0.026 0.000 0.750 440 E HN 0.302 nan 8.360 nan 0.000 0.458 441 L N 0.922 122.094 121.223 -0.085 0.000 2.012 441 L HA -0.177 4.162 4.340 -0.001 0.000 0.210 441 L C 2.003 178.768 176.870 -0.175 0.000 1.073 441 L CA 1.957 56.717 54.840 -0.133 0.000 0.748 441 L CB -0.469 41.514 42.059 -0.128 0.000 0.891 441 L HN 0.102 nan 8.230 nan 0.000 0.431 442 E N -0.440 119.684 120.200 -0.127 0.000 2.110 442 E HA -0.251 4.098 4.350 -0.001 0.000 0.193 442 E C 2.323 178.864 176.600 -0.098 0.000 0.988 442 E CA 1.007 57.338 56.400 -0.115 0.000 0.804 442 E CB -0.347 29.310 29.700 -0.072 0.000 0.745 442 E HN 0.506 nan 8.360 nan 0.000 0.458 443 R N 0.594 121.043 120.500 -0.085 0.000 2.073 443 R HA -0.084 4.256 4.340 -0.001 0.000 0.234 443 R C 2.455 178.719 176.300 -0.060 0.000 1.134 443 R CA 1.134 57.191 56.100 -0.072 0.000 0.952 443 R CB -0.222 30.025 30.300 -0.089 0.000 0.850 443 R HN 0.133 nan 8.270 nan 0.000 0.433 444 I N 0.853 121.373 120.570 -0.084 0.000 2.252 444 I HA -0.255 3.914 4.170 -0.001 0.000 0.245 444 I C 2.272 178.404 176.117 0.025 0.000 1.102 444 I CA 1.267 62.584 61.300 0.028 0.000 1.385 444 I CB -0.230 37.804 38.000 0.057 0.000 1.064 444 I HN 0.164 nan 8.210 nan 0.000 0.414 445 K N 0.247 120.448 120.400 -0.333 0.000 2.103 445 K HA -0.156 4.164 4.320 -0.001 0.000 0.207 445 K C 2.113 178.775 176.600 0.103 0.000 1.048 445 K CA 1.804 57.809 56.287 -0.470 0.000 0.930 445 K CB -0.367 31.848 32.500 -0.474 0.000 0.716 445 K HN 0.312 nan 8.250 nan 0.000 0.444 446 T N 1.192 115.785 114.554 0.065 0.000 2.821 446 T HA -0.084 4.265 4.350 -0.001 0.000 0.267 446 T C 2.038 176.834 174.700 0.159 0.000 1.046 446 T CA 0.936 63.093 62.100 0.094 0.000 1.139 446 T CB -0.100 68.784 68.868 0.026 0.000 0.871 446 T HN -0.055 nan 8.240 nan 0.000 0.454 447 V N 0.837 120.882 119.914 0.219 0.000 2.255 447 V HA -0.146 3.973 4.120 -0.001 0.000 0.247 447 V C 2.118 178.413 176.094 0.335 0.000 1.051 447 V CA 1.728 64.181 62.300 0.254 0.000 1.018 447 V CB -0.717 31.324 31.823 0.363 0.000 0.641 447 V HN 0.393 nan 8.190 nan 0.000 0.445 448 F N 0.135 120.334 119.950 0.416 0.000 2.146 448 F HA -0.096 4.430 4.527 -0.001 0.000 0.298 448 F C 2.586 178.632 175.800 0.410 0.000 1.096 448 F CA 1.862 60.200 58.000 0.564 0.000 1.275 448 F CB -0.587 38.848 39.000 0.726 0.000 1.008 448 F HN -0.026 nan 8.300 nan 0.000 0.480 449 R N 0.518 121.325 120.500 0.512 0.000 2.083 449 R HA -0.194 4.146 4.340 -0.001 0.000 0.237 449 R C 1.982 178.324 176.300 0.070 0.000 1.137 449 R CA 1.913 58.105 56.100 0.153 0.000 0.951 449 R CB -0.334 29.946 30.300 -0.033 0.000 0.851 449 R HN 0.194 nan 8.270 nan 0.000 0.434 450 N N 0.336 119.074 118.700 0.063 0.000 2.188 450 N HA -0.141 4.599 4.740 -0.001 0.000 0.184 450 N C 1.708 177.181 175.510 -0.061 0.000 1.018 450 N CA 1.020 54.063 53.050 -0.012 0.000 0.858 450 N CB -0.186 38.286 38.487 -0.024 0.000 0.989 450 N HN 0.284 nan 8.380 nan 0.000 0.426 451 Q N 0.478 120.220 119.800 -0.096 0.000 2.123 451 Q HA 0.079 4.418 4.340 -0.001 0.000 0.199 451 Q C 2.323 178.273 176.000 -0.082 0.000 0.966 451 Q CA 0.502 56.165 55.803 -0.233 0.000 0.845 451 Q CB -0.333 28.028 28.738 -0.629 0.000 0.907 451 Q HN 0.419 nan 8.270 nan 0.000 0.439 452 L N 0.574 121.823 121.223 0.042 0.000 2.027 452 L HA -0.168 4.172 4.340 -0.001 0.000 0.206 452 L C 2.244 179.125 176.870 0.019 0.000 1.074 452 L CA 1.029 55.916 54.840 0.078 0.000 0.745 452 L CB -0.334 41.816 42.059 0.151 0.000 0.898 452 L HN 0.067 nan 8.230 nan 0.000 0.433 453 K N 0.142 120.539 120.400 -0.006 0.000 2.283 453 K HA -0.060 4.259 4.320 -0.001 0.000 0.202 453 K C 2.020 178.601 176.600 -0.033 0.000 1.048 453 K CA 1.241 57.513 56.287 -0.025 0.000 0.948 453 K CB -0.297 32.180 32.500 -0.038 0.000 0.742 453 K HN 0.281 nan 8.250 nan 0.000 0.458 454 A N 0.695 123.485 122.820 -0.049 0.000 2.066 454 A HA -0.040 4.280 4.320 -0.001 0.000 0.218 454 A C 2.363 179.920 177.584 -0.044 0.000 1.157 454 A CA 0.807 52.809 52.037 -0.060 0.000 0.670 454 A CB -0.202 18.740 19.000 -0.097 0.000 0.804 454 A HN 0.037 nan 8.150 nan 0.000 0.453 455 V N 0.000 119.897 119.914 -0.029 0.000 2.302 455 V HA -0.028 4.092 4.120 -0.001 0.000 0.243 455 V C 0.587 176.680 176.094 -0.003 0.000 1.036 455 V CA 1.857 64.152 62.300 -0.009 0.000 1.020 455 V CB -0.258 31.574 31.823 0.015 0.000 0.657 455 V HN 0.640 nan 8.190 nan 0.000 0.453 456 D N -1.334 119.065 120.400 -0.001 0.000 2.386 456 D HA 0.172 4.811 4.640 -0.001 0.000 0.247 456 D C 0.967 177.262 176.300 -0.009 0.000 1.336 456 D CA 0.445 54.445 54.000 -0.001 0.000 0.976 456 D CB 1.648 42.452 40.800 0.007 0.000 1.257 456 D HN 0.155 nan 8.370 nan 0.000 0.570 457 S N 1.528 117.219 115.700 -0.015 0.000 2.465 457 S HA -0.119 4.350 4.470 -0.001 0.000 0.241 457 S C 1.301 175.889 174.600 -0.020 0.000 1.000 457 S CA 0.790 58.978 58.200 -0.020 0.000 0.964 457 S CB -0.031 63.157 63.200 -0.021 0.000 0.763 457 S HN 0.232 nan 8.310 nan 0.000 0.512 458 S N 0.851 116.543 115.700 -0.014 0.000 2.556 458 S HA 0.367 4.837 4.470 -0.001 0.000 0.216 458 S C 0.201 174.793 174.600 -0.013 0.000 0.970 458 S CA -0.536 57.655 58.200 -0.014 0.000 0.912 458 S CB -0.249 62.945 63.200 -0.009 0.000 0.790 458 S HN 0.498 nan 8.310 nan 0.000 0.504 459 L N 4.432 125.648 121.223 -0.011 0.000 2.453 459 L HA 0.261 4.601 4.340 -0.001 0.000 0.272 459 L C -2.357 174.502 176.870 -0.019 0.000 1.182 459 L CA -1.546 53.291 54.840 -0.005 0.000 0.858 459 L CB 0.053 42.117 42.059 0.008 0.000 1.120 459 L HN -0.078 nan 8.230 nan 0.000 0.474 460 P HA 0.085 nan 4.420 nan 0.000 0.279 460 P C -1.216 176.063 177.300 -0.034 0.000 1.318 460 P CA -0.090 62.997 63.100 -0.022 0.000 0.819 460 P CB 0.627 32.325 31.700 -0.004 0.000 0.927 461 V N 6.994 126.849 119.914 -0.098 0.000 2.311 461 V HA 0.220 4.339 4.120 -0.001 0.000 0.275 461 V C -1.097 174.868 176.094 -0.215 0.000 1.022 461 V CA -1.312 60.862 62.300 -0.211 0.000 0.830 461 V CB 1.248 32.828 31.823 -0.405 0.000 1.012 461 V HN 0.465 nan 8.190 nan 0.000 0.452 462 P HA 0.222 nan 4.420 nan 0.000 0.249 462 P C -0.542 176.822 177.300 0.107 0.000 1.544 462 P CA 0.175 63.288 63.100 0.022 0.000 0.932 462 P CB -0.297 31.459 31.700 0.093 0.000 1.524 463 F N 0.000 119.963 119.950 0.022 0.000 2.286 463 F HA 0.000 4.527 4.527 -0.001 0.000 0.279 463 F CA 0.000 57.998 58.000 -0.003 0.000 1.383 463 F CB 0.000 39.008 39.000 0.013 0.000 1.145 463 F HN 0.000 nan 8.300 nan 0.000 0.574