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 1zd2_1_P DATA FIRST_RESID 2 DATA SEQUENCE TLRAAVFDLD GVLALPAVFG VLGRTEEALA LPRGLLNDAF QKGGPEGATT DATA SEQUENCE RLMKGEITLS QWIPLMEENC RKCSETAKVC LPKNFSIKEI FDKAISARKI DATA SEQUENCE NRPMLQAALM LRKKGFTTAI LTNTWLDDRA ERDGLAQLMC ELKMHFDFLI DATA SEQUENCE ESCQVGMVKP EPQIYKFLLD TLKASPSEVV FLDDIGANLK PARDLGMVTI DATA SEQUENCE LVQDTDTALK ELEKVTGIQL TPAPLPTSCN PSDMSHGYVT VKPRVRLHFV DATA SEQUENCE ELGSGPAVCL CHGFPESWYS WRYQIPALAQ AGYRVLAMDM KGYGESSAPP DATA SEQUENCE EIEEYCMEVL CKEMVTFLDK LGLSQAVFIG HDWGGMLVWY MALFYPERVR DATA SEQUENCE AVASLNTPFI PANPNMSPLE SIKANPVFDY QLYFQEPGVA EAELEQNLSR DATA SEQUENCE TFKSLFRASD ESXVLSMHKV CEAGGLFVNS PEEPSLSRMV TEEEIQFYVQ DATA SEQUENCE QFKKSGFRGP LNWYRNMERN WKWACKSLGR KILIPALMVT AEKDFVLVPQ DATA SEQUENCE MSQHMEDWIP HLKRGHIEDC GHWTQMDKPT EVNQILIKWL DSDARN 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.684 174.700 -0.026 0.000 1.109 2 T CA 0.000 62.098 62.100 -0.003 0.000 1.349 2 T CB 0.000 68.879 68.868 0.018 0.000 0.612 3 L N 2.787 124.017 121.223 0.010 0.000 2.490 3 L HA 0.470 4.811 4.340 0.001 0.000 0.274 3 L C 1.250 177.922 176.870 -0.329 0.000 1.201 3 L CA 0.463 55.300 54.840 -0.005 0.000 0.869 3 L CB 0.582 42.774 42.059 0.221 0.000 1.123 3 L HN 0.454 nan 8.230 nan 0.000 0.484 4 R N 1.980 122.197 120.500 -0.472 0.000 2.526 4 R HA 0.371 4.712 4.340 0.001 0.000 0.346 4 R C -0.709 175.201 176.300 -0.650 0.000 0.926 4 R CA 0.089 55.690 56.100 -0.831 0.000 1.147 4 R CB 0.949 31.020 30.300 -0.380 0.000 1.629 4 R HN 0.686 nan 8.270 nan 0.000 0.516 5 A N 0.468 123.164 122.820 -0.207 0.000 2.427 5 A HA 0.804 5.125 4.320 0.001 0.000 0.298 5 A C -1.411 176.390 177.584 0.363 0.000 1.036 5 A CA -0.477 51.649 52.037 0.148 0.000 0.701 5 A CB 1.736 20.799 19.000 0.104 0.000 1.250 5 A HN 0.191 nan 8.150 nan 0.000 0.412 6 A N 1.830 124.919 122.820 0.449 0.000 2.304 6 A HA 0.683 5.004 4.320 0.001 0.000 0.314 6 A C -0.864 176.858 177.584 0.231 0.000 1.187 6 A CA -0.441 51.751 52.037 0.259 0.000 0.810 6 A CB 0.932 20.108 19.000 0.294 0.000 1.183 6 A HN 1.250 nan 8.150 nan 0.000 0.487 7 V N 3.106 123.036 119.914 0.027 0.000 2.448 7 V HA 0.539 4.660 4.120 0.001 0.000 0.295 7 V C -0.950 175.043 176.094 -0.169 0.000 1.025 7 V CA -0.291 62.094 62.300 0.142 0.000 0.859 7 V CB 0.845 32.842 31.823 0.290 0.000 0.988 7 V HN 0.716 nan 8.190 nan 0.000 0.431 8 F N 1.987 121.947 119.950 0.016 0.000 2.492 8 F HA 0.535 5.063 4.527 0.001 0.000 0.327 8 F C 0.327 176.021 175.800 -0.177 0.000 1.079 8 F CA -0.939 56.994 58.000 -0.113 0.000 0.967 8 F CB 1.367 40.329 39.000 -0.064 0.000 1.169 8 F HN 0.492 nan 8.300 nan 0.000 0.472 9 D N 1.000 121.369 120.400 -0.051 0.000 2.283 9 D HA 0.274 4.915 4.640 0.001 0.000 0.248 9 D C 0.447 176.721 176.300 -0.043 0.000 1.072 9 D CA -0.265 53.687 54.000 -0.080 0.000 0.929 9 D CB 1.294 42.006 40.800 -0.147 0.000 1.182 9 D HN 0.383 nan 8.370 nan 0.000 0.433 10 L N 1.987 123.172 121.223 -0.064 0.000 2.121 10 L HA 0.225 4.566 4.340 0.001 0.000 0.200 10 L C 0.161 177.004 176.870 -0.045 0.000 1.132 10 L CA 1.010 55.803 54.840 -0.079 0.000 0.782 10 L CB -0.709 41.282 42.059 -0.113 0.000 0.940 10 L HN 0.547 nan 8.230 nan 0.000 0.458 11 D N -0.219 120.161 120.400 -0.032 0.000 2.368 11 D HA 0.384 5.024 4.640 0.001 0.000 0.268 11 D C 0.906 177.209 176.300 0.006 0.000 1.298 11 D CA 1.374 55.377 54.000 0.005 0.000 0.938 11 D CB -0.112 40.717 40.800 0.049 0.000 1.101 11 D HN 0.663 nan 8.370 nan 0.000 0.509 12 G N 1.625 110.431 108.800 0.010 0.000 2.179 12 G HA2 -0.229 3.731 3.960 0.001 0.000 0.220 12 G HA3 -0.229 3.731 3.960 0.001 0.000 0.220 12 G C 0.710 175.613 174.900 0.005 0.000 0.990 12 G CA 0.171 45.276 45.100 0.008 0.000 0.646 12 G HN 0.498 nan 8.290 nan 0.000 0.517 13 V N -0.447 119.472 119.914 0.008 0.000 3.442 13 V HA 0.368 4.489 4.120 0.001 0.000 0.205 13 V C 2.177 178.297 176.094 0.043 0.000 1.320 13 V CA 1.058 63.382 62.300 0.040 0.000 1.306 13 V CB -0.184 31.672 31.823 0.055 0.000 1.267 13 V HN 0.155 nan 8.190 nan 0.000 0.538 14 L N 0.377 121.605 121.223 0.008 0.000 2.477 14 L HA 0.540 4.881 4.340 0.001 0.000 0.220 14 L C 0.800 177.655 176.870 -0.025 0.000 1.106 14 L CA 0.713 55.533 54.840 -0.032 0.000 0.851 14 L CB 0.250 42.245 42.059 -0.106 0.000 0.994 14 L HN 0.345 nan 8.230 nan 0.000 0.462 15 A N 0.706 123.515 122.820 -0.020 0.000 2.356 15 A HA 0.793 5.114 4.320 0.001 0.000 0.310 15 A C -0.962 176.623 177.584 0.002 0.000 1.075 15 A CA -0.291 51.739 52.037 -0.011 0.000 0.746 15 A CB 1.331 20.318 19.000 -0.022 0.000 1.221 15 A HN 0.068 nan 8.150 nan 0.000 0.443 16 L N 2.214 123.441 121.223 0.007 0.000 2.424 16 L HA 0.500 4.841 4.340 0.001 0.000 0.258 16 L C -2.794 174.082 176.870 0.010 0.000 0.995 16 L CA -2.083 52.764 54.840 0.011 0.000 0.821 16 L CB 3.321 45.386 42.059 0.010 0.000 1.383 16 L HN 0.424 nan 8.230 nan 0.000 0.410 17 P HA 0.210 nan 4.420 nan 0.000 0.288 17 P C -0.831 176.482 177.300 0.021 0.000 1.267 17 P CA -0.425 62.682 63.100 0.012 0.000 0.815 17 P CB 1.266 32.968 31.700 0.003 0.000 0.989 18 A N 3.529 126.372 122.820 0.039 0.000 2.522 18 A HA -0.080 4.241 4.320 0.001 0.000 0.275 18 A C 1.638 179.264 177.584 0.069 0.000 1.058 18 A CA 0.292 52.374 52.037 0.075 0.000 0.880 18 A CB -1.133 17.935 19.000 0.113 0.000 0.946 18 A HN 0.489 nan 8.150 nan 0.000 0.526 19 V N 3.558 123.514 119.914 0.070 0.000 2.511 19 V HA -0.331 3.790 4.120 0.001 0.000 0.257 19 V C 1.910 177.953 176.094 -0.084 0.000 1.088 19 V CA 2.572 64.879 62.300 0.011 0.000 1.098 19 V CB -1.323 30.585 31.823 0.141 0.000 0.674 19 V HN 0.936 nan 8.190 nan 0.000 0.470 20 F N 1.714 121.594 119.950 -0.116 0.000 2.014 20 F HA -0.046 4.482 4.527 0.001 0.000 0.295 20 F C 2.385 178.059 175.800 -0.209 0.000 1.145 20 F CA 1.953 59.833 58.000 -0.200 0.000 1.178 20 F CB -1.178 37.762 39.000 -0.101 0.000 0.972 20 F HN 0.168 nan 8.300 nan 0.000 0.476 21 G N 0.104 108.928 108.800 0.040 0.000 2.597 21 G HA2 -0.379 3.582 3.960 0.001 0.000 0.222 21 G HA3 -0.379 3.582 3.960 0.001 0.000 0.222 21 G C 1.885 176.682 174.900 -0.172 0.000 1.135 21 G CA 1.395 46.471 45.100 -0.039 0.000 0.759 21 G HN 0.462 nan 8.290 nan 0.000 0.595 22 V N 0.578 120.374 119.914 -0.196 0.000 2.428 22 V HA -0.253 3.868 4.120 0.001 0.000 0.255 22 V C 2.894 178.846 176.094 -0.237 0.000 1.080 22 V CA 2.309 64.485 62.300 -0.206 0.000 1.083 22 V CB -0.275 31.396 31.823 -0.255 0.000 0.665 22 V HN 0.502 nan 8.190 nan 0.000 0.461 23 L N -0.182 120.821 121.223 -0.366 0.000 1.971 23 L HA -0.136 4.205 4.340 0.001 0.000 0.215 23 L C 2.666 179.430 176.870 -0.177 0.000 1.072 23 L CA 2.094 56.747 54.840 -0.312 0.000 0.758 23 L CB -1.294 40.450 42.059 -0.525 0.000 0.889 23 L HN 0.475 nan 8.230 nan 0.000 0.433 24 G N -0.581 108.112 108.800 -0.178 0.000 2.469 24 G HA2 -0.288 3.673 3.960 0.001 0.000 0.219 24 G HA3 -0.288 3.673 3.960 0.001 0.000 0.219 24 G C 1.719 176.586 174.900 -0.054 0.000 1.150 24 G CA 0.878 45.927 45.100 -0.085 0.000 0.763 24 G HN 0.309 nan 8.290 nan 0.000 0.561 25 R N -0.383 120.079 120.500 -0.062 0.000 2.075 25 R HA -0.009 4.332 4.340 0.001 0.000 0.232 25 R C 2.919 179.204 176.300 -0.025 0.000 1.126 25 R CA 1.559 57.636 56.100 -0.038 0.000 0.963 25 R CB -0.684 29.591 30.300 -0.042 0.000 0.858 25 R HN 0.292 nan 8.270 nan 0.000 0.435 26 T N 1.156 115.692 114.554 -0.030 0.000 2.699 26 T HA -0.197 4.153 4.350 0.001 0.000 0.268 26 T C 1.493 176.214 174.700 0.034 0.000 1.036 26 T CA 1.717 63.828 62.100 0.018 0.000 1.147 26 T CB -0.182 68.716 68.868 0.049 0.000 0.862 26 T HN 0.420 nan 8.240 nan 0.000 0.446 27 E N 1.062 121.268 120.200 0.010 0.000 2.007 27 E HA -0.142 4.209 4.350 0.001 0.000 0.194 27 E C 2.434 179.032 176.600 -0.003 0.000 0.999 27 E CA 1.114 57.514 56.400 -0.000 0.000 0.811 27 E CB -0.198 29.495 29.700 -0.013 0.000 0.762 27 E HN 0.570 nan 8.360 nan 0.000 0.450 28 E N 0.750 120.946 120.200 -0.006 0.000 2.070 28 E HA -0.268 4.082 4.350 0.001 0.000 0.197 28 E C 2.139 178.739 176.600 0.000 0.000 1.004 28 E CA 1.073 57.471 56.400 -0.004 0.000 0.805 28 E CB -0.221 29.476 29.700 -0.005 0.000 0.744 28 E HN 0.260 nan 8.360 nan 0.000 0.451 29 A N 1.090 123.912 122.820 0.004 0.000 1.883 29 A HA -0.168 4.153 4.320 0.001 0.000 0.217 29 A C 2.042 179.635 177.584 0.016 0.000 1.186 29 A CA 1.306 53.349 52.037 0.010 0.000 0.624 29 A CB -0.565 18.443 19.000 0.014 0.000 0.822 29 A HN 0.177 nan 8.150 nan 0.000 0.444 30 L N -1.254 119.982 121.223 0.022 0.000 2.629 30 L HA 0.330 4.671 4.340 0.001 0.000 0.230 30 L C 1.278 178.146 176.870 -0.003 0.000 1.151 30 L CA 0.215 55.068 54.840 0.020 0.000 0.924 30 L CB -0.391 41.692 42.059 0.041 0.000 1.137 30 L HN 0.521 nan 8.230 nan 0.000 0.457 31 A N 0.490 123.307 122.820 -0.004 0.000 2.745 31 A HA -0.211 4.110 4.320 0.001 0.000 0.296 31 A C 0.223 177.794 177.584 -0.023 0.000 1.500 31 A CA 0.673 52.704 52.037 -0.011 0.000 0.766 31 A CB -2.285 16.709 19.000 -0.009 0.000 1.030 31 A HN 0.392 nan 8.150 nan 0.000 0.489 32 L N -0.725 120.481 121.223 -0.028 0.000 2.357 32 L HA 0.442 4.783 4.340 0.001 0.000 0.273 32 L C -1.866 174.984 176.870 -0.032 0.000 1.080 32 L CA -2.435 52.377 54.840 -0.046 0.000 0.803 32 L CB 0.734 42.752 42.059 -0.068 0.000 1.174 32 L HN 0.060 nan 8.230 nan 0.000 0.443 33 P HA -0.027 nan 4.420 nan 0.000 0.256 33 P C -0.791 176.502 177.300 -0.012 0.000 1.173 33 P CA 0.098 63.185 63.100 -0.020 0.000 0.768 33 P CB 0.160 31.847 31.700 -0.023 0.000 0.758 34 R N 3.560 124.057 120.500 -0.004 0.000 2.614 34 R HA 0.068 4.409 4.340 0.001 0.000 0.335 34 R C 1.517 177.824 176.300 0.011 0.000 0.859 34 R CA 1.274 57.375 56.100 0.003 0.000 1.123 34 R CB -1.015 29.290 30.300 0.008 0.000 0.887 34 R HN 0.900 nan 8.270 nan 0.000 0.407 35 G N 2.164 110.971 108.800 0.011 0.000 2.194 35 G HA2 -0.270 3.691 3.960 0.001 0.000 0.236 35 G HA3 -0.270 3.691 3.960 0.001 0.000 0.236 35 G C 0.681 175.599 174.900 0.031 0.000 0.987 35 G CA 0.008 45.124 45.100 0.027 0.000 0.635 35 G HN 0.525 nan 8.290 nan 0.000 0.520 36 L N 0.835 122.064 121.223 0.010 0.000 1.997 36 L HA -0.059 4.281 4.340 0.001 0.000 0.216 36 L C 2.747 179.632 176.870 0.025 0.000 1.074 36 L CA 2.990 57.831 54.840 0.002 0.000 0.763 36 L CB -0.989 41.047 42.059 -0.037 0.000 0.890 36 L HN 0.501 nan 8.230 nan 0.000 0.434 37 L N -0.436 120.804 121.223 0.027 0.000 2.056 37 L HA -0.212 4.129 4.340 0.001 0.000 0.207 37 L C 2.430 179.368 176.870 0.113 0.000 1.078 37 L CA 1.195 56.084 54.840 0.081 0.000 0.749 37 L CB -0.737 41.373 42.059 0.085 0.000 0.901 37 L HN 0.382 nan 8.230 nan 0.000 0.433 38 N N 0.050 118.782 118.700 0.053 0.000 2.188 38 N HA -0.171 4.570 4.740 0.001 0.000 0.184 38 N C 1.359 177.011 175.510 0.237 0.000 1.018 38 N CA 1.292 54.397 53.050 0.092 0.000 0.858 38 N CB -0.122 38.386 38.487 0.034 0.000 0.989 38 N HN 0.359 nan 8.380 nan 0.000 0.426 39 D N 0.997 121.495 120.400 0.163 0.000 2.117 39 D HA -0.068 4.573 4.640 0.001 0.000 0.198 39 D C 1.782 178.181 176.300 0.166 0.000 0.982 39 D CA 0.764 54.857 54.000 0.154 0.000 0.828 39 D CB -0.206 40.650 40.800 0.094 0.000 0.967 39 D HN 0.194 nan 8.370 nan 0.000 0.464 40 A N 0.292 123.203 122.820 0.153 0.000 2.019 40 A HA -0.152 4.169 4.320 0.001 0.000 0.219 40 A C 2.010 179.717 177.584 0.205 0.000 1.164 40 A CA 0.772 52.886 52.037 0.128 0.000 0.644 40 A CB -0.790 18.265 19.000 0.091 0.000 0.805 40 A HN 0.216 nan 8.150 nan 0.000 0.449 41 F N 0.337 120.381 119.950 0.157 0.000 2.098 41 F HA -0.095 4.432 4.527 0.001 0.000 0.294 41 F C 1.942 177.915 175.800 0.288 0.000 1.107 41 F CA 1.741 59.912 58.000 0.285 0.000 1.234 41 F CB 0.017 39.200 39.000 0.306 0.000 1.002 41 F HN 0.166 nan 8.300 nan 0.000 0.472 42 Q N 1.442 121.477 119.800 0.392 0.000 2.329 42 Q HA -0.004 4.337 4.340 0.001 0.000 0.208 42 Q C 0.097 176.180 176.000 0.139 0.000 0.934 42 Q CA 0.161 56.113 55.803 0.248 0.000 0.951 42 Q CB -0.540 28.391 28.738 0.322 0.000 1.017 42 Q HN 0.399 nan 8.270 nan 0.000 0.490 43 K N -0.090 120.377 120.400 0.112 0.000 2.412 43 K HA 0.210 4.530 4.320 0.001 0.000 0.281 43 K C 0.753 177.381 176.600 0.046 0.000 1.027 43 K CA 0.959 57.288 56.287 0.070 0.000 0.989 43 K CB 0.216 32.746 32.500 0.050 0.000 0.935 43 K HN 0.282 nan 8.250 nan 0.000 0.475 44 G N 2.627 111.451 108.800 0.040 0.000 2.213 44 G HA2 -0.261 3.700 3.960 0.001 0.000 0.236 44 G HA3 -0.261 3.700 3.960 0.001 0.000 0.236 44 G C 0.738 175.659 174.900 0.034 0.000 0.991 44 G CA 0.107 45.225 45.100 0.030 0.000 0.629 44 G HN 1.375 nan 8.290 nan 0.000 0.517 45 G N 0.915 109.743 108.800 0.046 0.000 2.652 45 G HA2 -0.203 3.758 3.960 0.001 0.000 0.318 45 G HA3 -0.203 3.758 3.960 0.001 0.000 0.318 45 G C -0.459 174.463 174.900 0.037 0.000 1.295 45 G CA 1.467 46.596 45.100 0.048 0.000 0.999 45 G HN 0.852 nan 8.290 nan 0.000 0.548 46 P HA 0.023 nan 4.420 nan 0.000 0.217 46 P C 1.143 178.455 177.300 0.020 0.000 1.148 46 P CA 1.725 64.841 63.100 0.026 0.000 0.828 46 P CB 0.020 31.733 31.700 0.023 0.000 0.783 47 E N -0.544 119.668 120.200 0.020 0.000 2.370 47 E HA 0.250 4.601 4.350 0.001 0.000 0.194 47 E C 0.963 177.575 176.600 0.020 0.000 1.057 47 E CA -0.085 56.325 56.400 0.017 0.000 1.011 47 E CB -0.461 29.247 29.700 0.014 0.000 1.132 47 E HN 0.109 nan 8.360 nan 0.000 0.450 48 G N 0.089 108.903 108.800 0.024 0.000 2.476 48 G HA2 0.355 4.316 3.960 0.001 0.000 0.286 48 G HA3 0.355 4.316 3.960 0.001 0.000 0.286 48 G C 1.042 175.968 174.900 0.043 0.000 1.177 48 G CA -0.011 45.107 45.100 0.029 0.000 0.870 48 G HN 0.153 nan 8.290 nan 0.000 0.528 49 A N 0.926 123.783 122.820 0.062 0.000 1.940 49 A HA -0.048 4.273 4.320 0.001 0.000 0.219 49 A C 2.413 180.135 177.584 0.229 0.000 1.176 49 A CA 2.404 54.514 52.037 0.122 0.000 0.631 49 A CB -0.714 18.324 19.000 0.064 0.000 0.814 49 A HN 0.579 nan 8.150 nan 0.000 0.446 50 T N -0.661 114.010 114.554 0.195 0.000 2.904 50 T HA -0.072 4.279 4.350 0.001 0.000 0.267 50 T C 1.954 176.590 174.700 -0.108 0.000 1.059 50 T CA 1.769 63.852 62.100 -0.029 0.000 1.137 50 T CB -0.326 68.343 68.868 -0.331 0.000 0.879 50 T HN 0.541 nan 8.240 nan 0.000 0.467 51 T N 1.838 116.374 114.554 -0.029 0.000 2.821 51 T HA -0.012 4.338 4.350 0.001 0.000 0.267 51 T C 2.153 176.849 174.700 -0.006 0.000 1.046 51 T CA 0.786 62.878 62.100 -0.013 0.000 1.139 51 T CB -0.047 68.826 68.868 0.009 0.000 0.871 51 T HN 0.374 nan 8.240 nan 0.000 0.454 52 R N 0.844 121.350 120.500 0.011 0.000 2.070 52 R HA 0.033 4.374 4.340 0.001 0.000 0.232 52 R C 2.440 178.745 176.300 0.008 0.000 1.138 52 R CA 0.988 57.098 56.100 0.018 0.000 0.936 52 R CB -0.856 29.468 30.300 0.040 0.000 0.839 52 R HN 0.239 nan 8.270 nan 0.000 0.429 53 L N 0.783 122.002 121.223 -0.006 0.000 2.263 53 L HA -0.166 4.175 4.340 0.001 0.000 0.216 53 L C 1.827 178.680 176.870 -0.029 0.000 1.111 53 L CA 1.750 56.556 54.840 -0.057 0.000 0.773 53 L CB -0.288 41.596 42.059 -0.291 0.000 0.906 53 L HN 0.243 nan 8.230 nan 0.000 0.439 54 M N -0.251 119.330 119.600 -0.030 0.000 2.435 54 M HA -0.034 4.447 4.480 0.001 0.000 0.265 54 M C 1.803 178.114 176.300 0.018 0.000 1.104 54 M CA 1.350 56.664 55.300 0.023 0.000 1.140 54 M CB -0.088 32.522 32.600 0.016 0.000 1.372 54 M HN 0.053 nan 8.290 nan 0.000 0.456 55 K N -0.864 119.538 120.400 0.004 0.000 2.417 55 K HA 0.347 4.668 4.320 0.001 0.000 0.196 55 K C 0.802 177.399 176.600 -0.005 0.000 1.023 55 K CA 0.556 56.838 56.287 -0.009 0.000 1.122 55 K CB 0.042 32.534 32.500 -0.014 0.000 0.850 55 K HN 0.471 nan 8.250 nan 0.000 0.521 56 G N 1.883 110.692 108.800 0.014 0.000 2.143 56 G HA2 -0.308 3.653 3.960 0.001 0.000 0.249 56 G HA3 -0.308 3.653 3.960 0.001 0.000 0.249 56 G C 0.572 175.483 174.900 0.019 0.000 0.981 56 G CA 0.530 45.642 45.100 0.021 0.000 0.665 56 G HN 0.459 nan 8.290 nan 0.000 0.528 57 E N -0.437 119.773 120.200 0.017 0.000 2.107 57 E HA 0.134 4.484 4.350 0.001 0.000 0.191 57 E C 1.575 178.191 176.600 0.027 0.000 0.982 57 E CA 1.247 57.657 56.400 0.017 0.000 0.809 57 E CB 0.102 29.811 29.700 0.015 0.000 0.756 57 E HN 0.919 nan 8.360 nan 0.000 0.459 58 I N -2.082 118.512 120.570 0.040 0.000 2.934 58 I HA 0.363 4.534 4.170 0.001 0.000 0.306 58 I C 0.046 176.201 176.117 0.063 0.000 1.110 58 I CA -1.246 60.084 61.300 0.051 0.000 1.019 58 I CB 2.155 40.193 38.000 0.065 0.000 1.227 58 I HN -0.230 nan 8.210 nan 0.000 0.434 59 T N 1.245 115.839 114.554 0.066 0.000 2.828 59 T HA 0.200 4.551 4.350 0.001 0.000 0.290 59 T C 0.868 175.612 174.700 0.074 0.000 1.019 59 T CA -0.460 61.686 62.100 0.078 0.000 1.031 59 T CB 1.355 70.264 68.868 0.068 0.000 1.001 59 T HN 0.712 nan 8.240 nan 0.000 0.531 60 L N 2.007 123.260 121.223 0.050 0.000 2.042 60 L HA -0.002 4.339 4.340 0.001 0.000 0.210 60 L C 2.761 179.654 176.870 0.038 0.000 1.076 60 L CA 1.900 56.701 54.840 -0.066 0.000 0.749 60 L CB -1.252 40.676 42.059 -0.218 0.000 0.893 60 L HN 0.867 nan 8.230 nan 0.000 0.432 61 S N -0.958 114.765 115.700 0.039 0.000 2.399 61 S HA -0.206 4.264 4.470 0.001 0.000 0.231 61 S C 1.831 176.445 174.600 0.023 0.000 1.022 61 S CA 1.327 59.542 58.200 0.025 0.000 0.983 61 S CB -0.191 63.024 63.200 0.024 0.000 0.803 61 S HN 0.601 nan 8.310 nan 0.000 0.480 62 Q N -1.222 118.607 119.800 0.048 0.000 2.187 62 Q HA -0.078 4.263 4.340 0.001 0.000 0.199 62 Q C 1.829 177.859 176.000 0.050 0.000 0.957 62 Q CA 0.930 56.755 55.803 0.037 0.000 0.857 62 Q CB -0.130 28.636 28.738 0.047 0.000 0.929 62 Q HN 0.703 nan 8.270 nan 0.000 0.453 63 W N 1.635 122.858 121.300 -0.130 0.000 2.379 63 W HA -0.133 4.528 4.660 0.001 0.000 0.307 63 W C 1.562 177.961 176.519 -0.201 0.000 1.200 63 W CA 1.183 58.425 57.345 -0.171 0.000 1.297 63 W CB -0.228 29.095 29.460 -0.228 0.000 1.140 63 W HN -0.027 nan 8.180 nan 0.000 0.507 64 I N 1.282 121.770 120.570 -0.138 0.000 2.103 64 I HA -0.367 3.803 4.170 0.001 0.000 0.241 64 I C -0.498 175.362 176.117 -0.429 0.000 1.036 64 I CA 2.078 63.149 61.300 -0.382 0.000 1.300 64 I CB -2.232 35.656 38.000 -0.186 0.000 1.010 64 I HN -0.031 nan 8.210 nan 0.000 0.406 65 P HA -0.139 nan 4.420 nan 0.000 0.217 65 P C 1.792 178.930 177.300 -0.270 0.000 1.150 65 P CA 1.181 64.151 63.100 -0.215 0.000 0.832 65 P CB 0.030 31.651 31.700 -0.132 0.000 0.787 66 L N -1.856 119.171 121.223 -0.327 0.000 2.191 66 L HA -0.085 4.256 4.340 0.001 0.000 0.212 66 L C 2.189 178.768 176.870 -0.486 0.000 1.103 66 L CA 1.783 56.421 54.840 -0.337 0.000 0.769 66 L CB -1.280 40.612 42.059 -0.278 0.000 0.908 66 L HN 0.043 nan 8.230 nan 0.000 0.438 67 M N -1.611 117.496 119.600 -0.822 0.000 2.561 67 M HA 0.014 4.494 4.480 0.001 0.000 0.238 67 M C 1.771 177.818 176.300 -0.423 0.000 1.131 67 M CA 1.086 55.869 55.300 -0.862 0.000 1.046 67 M CB -0.112 31.382 32.600 -1.844 0.000 1.532 67 M HN 0.148 nan 8.290 nan 0.000 0.497 68 E N -0.149 119.865 120.200 -0.310 0.000 2.102 68 E HA -0.091 4.260 4.350 0.001 0.000 0.190 68 E C 1.786 178.339 176.600 -0.078 0.000 0.971 68 E CA 0.745 57.068 56.400 -0.127 0.000 0.821 68 E CB 0.007 29.639 29.700 -0.113 0.000 0.777 68 E HN 0.634 nan 8.360 nan 0.000 0.460 69 E N 0.551 120.683 120.200 -0.113 0.000 2.085 69 E HA -0.252 4.099 4.350 0.001 0.000 0.194 69 E C 1.519 178.079 176.600 -0.067 0.000 0.994 69 E CA 1.395 57.746 56.400 -0.080 0.000 0.801 69 E CB 0.029 29.675 29.700 -0.089 0.000 0.743 69 E HN 0.147 nan 8.360 nan 0.000 0.453 70 N N -0.070 118.577 118.700 -0.088 0.000 2.205 70 N HA -0.146 4.595 4.740 0.001 0.000 0.186 70 N C 1.493 176.989 175.510 -0.024 0.000 1.015 70 N CA 1.108 54.127 53.050 -0.053 0.000 0.862 70 N CB -0.425 38.025 38.487 -0.062 0.000 0.986 70 N HN 0.221 nan 8.380 nan 0.000 0.429 71 C N 0.145 119.434 119.300 -0.020 0.000 2.562 71 C HA 0.188 4.649 4.460 0.001 0.000 0.266 71 C C 2.129 177.084 174.990 -0.058 0.000 1.382 71 C CA -0.114 58.894 59.018 -0.016 0.000 1.742 71 C CB -0.919 26.857 27.740 0.061 0.000 1.812 71 C HN 0.421 nan 8.230 nan 0.000 0.559 72 R N 0.332 120.806 120.500 -0.043 0.000 2.142 72 R HA 0.063 4.404 4.340 0.001 0.000 0.204 72 R C 2.118 178.394 176.300 -0.040 0.000 1.059 72 R CA 0.373 56.445 56.100 -0.047 0.000 1.055 72 R CB -0.146 30.132 30.300 -0.036 0.000 0.976 72 R HN 0.296 nan 8.270 nan 0.000 0.483 73 K N 1.037 121.418 120.400 -0.032 0.000 2.002 73 K HA -0.094 4.227 4.320 0.001 0.000 0.209 73 K C 2.104 178.692 176.600 -0.020 0.000 1.048 73 K CA 1.263 57.535 56.287 -0.024 0.000 0.930 73 K CB -0.746 31.742 32.500 -0.020 0.000 0.714 73 K HN 0.172 nan 8.250 nan 0.000 0.438 74 C N 1.483 120.773 119.300 -0.016 0.000 2.422 74 C HA -0.075 4.386 4.460 0.001 0.000 0.279 74 C C 3.119 178.093 174.990 -0.026 0.000 1.305 74 C CA 1.440 60.452 59.018 -0.010 0.000 1.757 74 C CB -0.989 26.754 27.740 0.004 0.000 1.962 74 C HN 0.641 nan 8.230 nan 0.000 0.499 75 S N 0.063 115.735 115.700 -0.045 0.000 2.470 75 S HA -0.113 4.358 4.470 0.001 0.000 0.225 75 S C 1.686 176.259 174.600 -0.044 0.000 1.006 75 S CA 1.317 59.481 58.200 -0.060 0.000 0.934 75 S CB -0.480 62.663 63.200 -0.095 0.000 0.778 75 S HN 0.753 nan 8.310 nan 0.000 0.517 76 E N 0.498 120.677 120.200 -0.035 0.000 2.208 76 E HA -0.093 4.258 4.350 0.001 0.000 0.193 76 E C 1.948 178.537 176.600 -0.020 0.000 0.988 76 E CA 1.258 57.642 56.400 -0.027 0.000 0.828 76 E CB -0.233 29.453 29.700 -0.023 0.000 0.763 76 E HN 0.630 nan 8.360 nan 0.000 0.478 77 T N -0.887 113.657 114.554 -0.016 0.000 2.770 77 T HA 0.043 4.394 4.350 0.001 0.000 0.258 77 T C 1.579 176.272 174.700 -0.010 0.000 1.039 77 T CA 1.137 63.231 62.100 -0.010 0.000 1.143 77 T CB -0.149 68.716 68.868 -0.004 0.000 0.866 77 T HN 0.190 nan 8.240 nan 0.000 0.428 78 A N 1.002 123.814 122.820 -0.014 0.000 2.261 78 A HA 0.258 4.579 4.320 0.001 0.000 0.208 78 A C 0.420 177.993 177.584 -0.018 0.000 1.223 78 A CA 0.138 52.167 52.037 -0.014 0.000 0.833 78 A CB -0.385 18.606 19.000 -0.015 0.000 0.830 78 A HN 0.545 nan 8.150 nan 0.000 0.483 79 K N -0.997 119.391 120.400 -0.020 0.000 3.619 79 K HA -0.133 4.188 4.320 0.001 0.000 0.275 79 K C -0.447 176.136 176.600 -0.028 0.000 0.993 79 K CA 0.998 57.272 56.287 -0.021 0.000 0.787 79 K CB -2.715 29.775 32.500 -0.016 0.000 1.431 79 K HN 0.425 nan 8.250 nan 0.000 0.451 80 V N -1.708 118.184 119.914 -0.037 0.000 3.103 80 V HA 0.599 4.720 4.120 0.001 0.000 0.311 80 V C 0.784 176.842 176.094 -0.060 0.000 1.322 80 V CA -0.854 61.417 62.300 -0.048 0.000 1.063 80 V CB 2.650 34.439 31.823 -0.058 0.000 1.090 80 V HN 0.556 nan 8.190 nan 0.000 0.462 81 C N -0.375 118.879 119.300 -0.076 0.000 3.455 81 C HA 0.901 5.362 4.460 0.001 0.000 0.357 81 C C -1.080 173.826 174.990 -0.141 0.000 3.109 81 C CA -0.735 58.231 59.018 -0.087 0.000 1.483 81 C CB 1.532 29.235 27.740 -0.061 0.000 3.542 81 C HN 0.752 nan 8.230 nan 0.000 0.511 82 L N 0.585 121.725 121.223 -0.138 0.000 2.565 82 L HA 0.411 4.752 4.340 0.001 0.000 0.261 82 L C -2.629 174.187 176.870 -0.091 0.000 0.932 82 L CA -0.959 53.752 54.840 -0.216 0.000 0.878 82 L CB 1.326 43.184 42.059 -0.335 0.000 1.333 82 L HN 0.472 nan 8.230 nan 0.000 0.409 83 P HA 0.035 nan 4.420 nan 0.000 0.270 83 P C 0.249 177.594 177.300 0.075 0.000 1.221 83 P CA -0.364 62.756 63.100 0.033 0.000 0.788 83 P CB 0.561 32.306 31.700 0.075 0.000 0.904 84 K N 1.192 121.628 120.400 0.060 0.000 2.155 84 K HA -0.084 4.236 4.320 0.001 0.000 0.203 84 K C 0.712 177.358 176.600 0.076 0.000 1.052 84 K CA 1.182 57.504 56.287 0.057 0.000 0.948 84 K CB -0.385 32.135 32.500 0.033 0.000 0.728 84 K HN 0.361 nan 8.250 nan 0.000 0.448 85 N N 1.007 119.757 118.700 0.083 0.000 2.455 85 N HA -0.014 4.727 4.740 0.001 0.000 0.258 85 N C -1.065 174.507 175.510 0.103 0.000 1.158 85 N CA -0.506 52.585 53.050 0.068 0.000 0.893 85 N CB -0.346 38.168 38.487 0.045 0.000 1.173 85 N HN 0.132 nan 8.380 nan 0.000 0.503 86 F N 1.488 121.435 119.950 -0.004 0.000 2.411 86 F HA 0.470 4.998 4.527 0.001 0.000 0.350 86 F C -0.081 175.718 175.800 -0.002 0.000 1.114 86 F CA -0.872 57.127 58.000 -0.002 0.000 1.135 86 F CB 1.227 40.223 39.000 -0.006 0.000 1.120 86 F HN 0.019 nan 8.300 nan 0.000 0.495 87 S N 7.662 122.953 115.700 -0.680 0.000 2.733 87 S HA 0.401 4.872 4.470 0.001 0.000 0.294 87 S C 0.773 175.022 174.600 -0.585 0.000 1.149 87 S CA -0.873 57.032 58.200 -0.492 0.000 1.034 87 S CB 0.393 63.462 63.200 -0.219 0.000 1.015 87 S HN 0.593 nan 8.310 nan 0.000 0.486 88 I N 4.540 124.812 120.570 -0.496 0.000 2.286 88 I HA -0.096 4.075 4.170 0.001 0.000 0.248 88 I C 2.550 178.614 176.117 -0.089 0.000 1.115 88 I CA 1.241 62.376 61.300 -0.275 0.000 1.392 88 I CB -0.813 37.019 38.000 -0.280 0.000 1.065 88 I HN 0.735 nan 8.210 nan 0.000 0.418 89 K N 0.912 121.234 120.400 -0.129 0.000 1.978 89 K HA -0.234 4.087 4.320 0.001 0.000 0.214 89 K C 2.018 178.626 176.600 0.015 0.000 1.049 89 K CA 1.471 57.731 56.287 -0.046 0.000 0.939 89 K CB -0.217 32.247 32.500 -0.061 0.000 0.721 89 K HN 0.129 nan 8.250 nan 0.000 0.441 90 E N 0.964 121.136 120.200 -0.046 0.000 2.147 90 E HA -0.204 4.147 4.350 0.001 0.000 0.199 90 E C 2.111 178.704 176.600 -0.011 0.000 1.005 90 E CA 1.238 57.616 56.400 -0.036 0.000 0.810 90 E CB -0.192 29.463 29.700 -0.076 0.000 0.736 90 E HN 0.408 nan 8.360 nan 0.000 0.460 91 I N -0.296 120.265 120.570 -0.015 0.000 2.163 91 I HA -0.273 3.898 4.170 0.001 0.000 0.240 91 I C 2.211 178.360 176.117 0.053 0.000 1.081 91 I CA 0.970 62.276 61.300 0.009 0.000 1.353 91 I CB -0.328 37.676 38.000 0.008 0.000 1.054 91 I HN 0.032 nan 8.210 nan 0.000 0.407 92 F N 1.208 121.133 119.950 -0.041 0.000 2.146 92 F HA -0.218 4.309 4.527 0.001 0.000 0.298 92 F C 2.333 178.144 175.800 0.019 0.000 1.096 92 F CA 1.234 59.233 58.000 -0.001 0.000 1.275 92 F CB -0.784 38.223 39.000 0.011 0.000 1.008 92 F HN 0.135 nan 8.300 nan 0.000 0.480 93 D N 0.187 120.697 120.400 0.184 0.000 2.104 93 D HA -0.197 4.444 4.640 0.001 0.000 0.194 93 D C 2.197 178.541 176.300 0.074 0.000 0.994 93 D CA 1.283 55.354 54.000 0.118 0.000 0.830 93 D CB -0.399 40.447 40.800 0.077 0.000 0.959 93 D HN 0.248 nan 8.370 nan 0.000 0.452 94 K N 0.510 120.935 120.400 0.041 0.000 2.002 94 K HA -0.092 4.229 4.320 0.001 0.000 0.209 94 K C 2.167 178.764 176.600 -0.005 0.000 1.048 94 K CA 1.202 57.495 56.287 0.011 0.000 0.930 94 K CB -0.095 32.401 32.500 -0.008 0.000 0.714 94 K HN 0.018 nan 8.250 nan 0.000 0.438 95 A N 1.334 124.128 122.820 -0.044 0.000 1.892 95 A HA -0.207 4.114 4.320 0.001 0.000 0.218 95 A C 2.092 179.670 177.584 -0.011 0.000 1.188 95 A CA 1.703 53.690 52.037 -0.084 0.000 0.631 95 A CB -0.719 18.133 19.000 -0.247 0.000 0.822 95 A HN 0.293 nan 8.150 nan 0.000 0.447 96 I N 0.542 121.143 120.570 0.052 0.000 2.113 96 I HA -0.262 3.909 4.170 0.001 0.000 0.238 96 I C 2.878 179.043 176.117 0.079 0.000 1.070 96 I CA 1.773 63.145 61.300 0.119 0.000 1.332 96 I CB -0.461 37.672 38.000 0.222 0.000 1.044 96 I HN 0.510 nan 8.210 nan 0.000 0.402 97 S N 1.297 117.037 115.700 0.066 0.000 2.442 97 S HA -0.097 4.374 4.470 0.001 0.000 0.236 97 S C 2.098 176.715 174.600 0.029 0.000 1.007 97 S CA 0.813 59.041 58.200 0.046 0.000 0.965 97 S CB -0.491 62.732 63.200 0.039 0.000 0.773 97 S HN 0.425 nan 8.310 nan 0.000 0.504 98 A N 1.858 124.691 122.820 0.022 0.000 1.930 98 A HA 0.118 4.439 4.320 0.001 0.000 0.217 98 A C 1.507 179.099 177.584 0.012 0.000 1.175 98 A CA 0.372 52.416 52.037 0.010 0.000 0.627 98 A CB -0.511 18.487 19.000 -0.003 0.000 0.815 98 A HN 0.530 nan 8.150 nan 0.000 0.443 99 R N -0.029 120.483 120.500 0.020 0.000 2.570 99 R HA 0.252 4.593 4.340 0.001 0.000 0.277 99 R C -0.804 175.506 176.300 0.016 0.000 1.039 99 R CA 0.455 56.567 56.100 0.019 0.000 1.065 99 R CB 0.249 30.567 30.300 0.030 0.000 0.964 99 R HN 0.179 nan 8.270 nan 0.000 0.428 100 K N 2.744 123.151 120.400 0.011 0.000 2.444 100 K HA 0.415 4.735 4.320 0.001 0.000 0.252 100 K C -0.760 175.844 176.600 0.007 0.000 0.993 100 K CA -0.689 55.604 56.287 0.010 0.000 0.847 100 K CB 1.434 33.940 32.500 0.010 0.000 1.340 100 K HN 0.436 nan 8.250 nan 0.000 0.446 101 I N 2.440 123.015 120.570 0.009 0.000 2.587 101 I HA 0.005 4.176 4.170 0.001 0.000 0.284 101 I C 0.297 176.414 176.117 0.000 0.000 1.134 101 I CA -0.167 61.137 61.300 0.007 0.000 1.410 101 I CB 0.268 38.280 38.000 0.021 0.000 1.392 101 I HN 0.433 nan 8.210 nan 0.000 0.545 102 N N 7.352 126.049 118.700 -0.005 0.000 2.434 102 N HA -0.006 4.735 4.740 0.001 0.000 0.273 102 N C 1.178 176.678 175.510 -0.017 0.000 1.210 102 N CA 0.075 53.121 53.050 -0.006 0.000 0.992 102 N CB 0.387 38.873 38.487 -0.002 0.000 1.355 102 N HN 0.383 nan 8.380 nan 0.000 0.495 103 R N 3.775 124.264 120.500 -0.018 0.000 2.115 103 R HA -0.144 4.197 4.340 0.001 0.000 0.239 103 R C -0.726 175.546 176.300 -0.047 0.000 1.133 103 R CA 1.602 57.682 56.100 -0.033 0.000 0.935 103 R CB -1.951 28.332 30.300 -0.027 0.000 0.853 103 R HN 0.573 nan 8.270 nan 0.000 0.433 104 P HA -0.166 nan 4.420 nan 0.000 0.218 104 P C 1.419 178.693 177.300 -0.043 0.000 1.148 104 P CA 1.255 64.334 63.100 -0.036 0.000 0.822 104 P CB -0.099 31.590 31.700 -0.019 0.000 0.784 105 M N -0.486 119.092 119.600 -0.035 0.000 2.099 105 M HA -0.046 4.435 4.480 0.001 0.000 0.262 105 M C 2.249 178.461 176.300 -0.146 0.000 1.067 105 M CA 1.457 56.731 55.300 -0.044 0.000 1.124 105 M CB -1.397 31.199 32.600 -0.007 0.000 1.353 105 M HN -0.204 nan 8.290 nan 0.000 0.410 106 L N -0.332 120.818 121.223 -0.123 0.000 2.042 106 L HA -0.291 4.050 4.340 0.001 0.000 0.210 106 L C 2.412 179.151 176.870 -0.218 0.000 1.076 106 L CA 2.049 56.805 54.840 -0.141 0.000 0.749 106 L CB -0.592 41.421 42.059 -0.077 0.000 0.893 106 L HN 0.550 nan 8.230 nan 0.000 0.432 107 Q N -0.479 119.219 119.800 -0.169 0.000 2.084 107 Q HA -0.227 4.113 4.340 0.001 0.000 0.202 107 Q C 2.145 178.053 176.000 -0.154 0.000 0.978 107 Q CA 1.795 57.498 55.803 -0.166 0.000 0.844 107 Q CB -0.086 28.583 28.738 -0.115 0.000 0.898 107 Q HN 0.620 nan 8.270 nan 0.000 0.426 108 A N 0.898 123.646 122.820 -0.121 0.000 1.908 108 A HA -0.169 4.151 4.320 0.001 0.000 0.218 108 A C 2.299 179.818 177.584 -0.109 0.000 1.181 108 A CA 1.831 53.821 52.037 -0.080 0.000 0.627 108 A CB -1.060 17.936 19.000 -0.005 0.000 0.818 108 A HN 0.582 nan 8.150 nan 0.000 0.445 109 A N -0.341 122.336 122.820 -0.239 0.000 1.865 109 A HA -0.055 4.266 4.320 0.001 0.000 0.217 109 A C 2.017 179.432 177.584 -0.281 0.000 1.191 109 A CA 1.769 53.608 52.037 -0.330 0.000 0.623 109 A CB -0.618 17.957 19.000 -0.708 0.000 0.826 109 A HN 0.385 nan 8.150 nan 0.000 0.444 110 L N -1.366 119.658 121.223 -0.332 0.000 1.990 110 L HA -0.228 4.112 4.340 0.001 0.000 0.213 110 L C 2.614 179.388 176.870 -0.159 0.000 1.072 110 L CA 2.621 57.297 54.840 -0.273 0.000 0.755 110 L CB -1.435 40.462 42.059 -0.270 0.000 0.889 110 L HN 0.560 nan 8.230 nan 0.000 0.432 111 M N -0.513 119.006 119.600 -0.136 0.000 2.110 111 M HA -0.251 4.229 4.480 0.001 0.000 0.257 111 M C 2.292 178.541 176.300 -0.086 0.000 1.071 111 M CA 1.855 57.098 55.300 -0.095 0.000 1.096 111 M CB -0.727 31.819 32.600 -0.091 0.000 1.300 111 M HN 0.150 nan 8.290 nan 0.000 0.411 112 L N -0.895 120.252 121.223 -0.127 0.000 1.990 112 L HA -0.307 4.034 4.340 0.001 0.000 0.213 112 L C 2.766 179.655 176.870 0.032 0.000 1.072 112 L CA 2.033 56.756 54.840 -0.196 0.000 0.755 112 L CB -0.757 41.117 42.059 -0.309 0.000 0.889 112 L HN 0.401 nan 8.230 nan 0.000 0.432 113 R N 0.498 121.016 120.500 0.029 0.000 2.083 113 R HA -0.236 4.105 4.340 0.001 0.000 0.237 113 R C 2.371 178.703 176.300 0.054 0.000 1.137 113 R CA 1.895 58.034 56.100 0.065 0.000 0.951 113 R CB -0.195 30.075 30.300 -0.050 0.000 0.851 113 R HN 0.207 nan 8.270 nan 0.000 0.434 114 K N 0.709 121.112 120.400 0.005 0.000 2.281 114 K HA -0.140 4.181 4.320 0.001 0.000 0.203 114 K C 0.500 177.125 176.600 0.042 0.000 1.046 114 K CA 1.428 57.721 56.287 0.011 0.000 0.938 114 K CB 0.142 32.634 32.500 -0.014 0.000 0.737 114 K HN 0.092 nan 8.250 nan 0.000 0.458 115 K N -0.730 119.716 120.400 0.078 0.000 2.681 115 K HA 0.127 4.448 4.320 0.001 0.000 0.211 115 K C 0.282 176.996 176.600 0.190 0.000 1.075 115 K CA 0.333 56.688 56.287 0.113 0.000 1.141 115 K CB 1.051 33.610 32.500 0.098 0.000 0.896 115 K HN 0.382 nan 8.250 nan 0.000 0.470 116 G N 0.759 109.653 108.800 0.157 0.000 2.213 116 G HA2 -0.263 3.698 3.960 0.001 0.000 0.236 116 G HA3 -0.263 3.698 3.960 0.001 0.000 0.236 116 G C -0.032 174.938 174.900 0.118 0.000 0.991 116 G CA -0.550 44.620 45.100 0.117 0.000 0.629 116 G HN 0.228 nan 8.290 nan 0.000 0.517 117 F N 2.545 122.510 119.950 0.025 0.000 2.471 117 F HA 0.490 5.018 4.527 0.001 0.000 0.353 117 F C 1.243 177.070 175.800 0.045 0.000 1.113 117 F CA 0.689 58.717 58.000 0.045 0.000 1.262 117 F CB 1.098 40.137 39.000 0.066 0.000 1.146 117 F HN -0.038 nan 8.300 nan 0.000 0.578 118 T N 1.873 116.525 114.554 0.164 0.000 2.733 118 T HA 0.392 4.743 4.350 0.001 0.000 0.294 118 T C 0.178 175.030 174.700 0.253 0.000 0.956 118 T CA -0.817 61.368 62.100 0.143 0.000 0.987 118 T CB 0.406 69.343 68.868 0.114 0.000 0.920 118 T HN 0.651 nan 8.240 nan 0.000 0.470 119 T N 0.143 114.840 114.554 0.237 0.000 2.944 119 T HA 0.857 5.207 4.350 0.001 0.000 0.284 119 T C -0.377 174.595 174.700 0.453 0.000 1.010 119 T CA -0.967 61.367 62.100 0.389 0.000 1.025 119 T CB 1.663 70.703 68.868 0.287 0.000 1.079 119 T HN 0.865 nan 8.240 nan 0.000 0.516 120 A N 1.238 124.411 122.820 0.588 0.000 2.594 120 A HA 0.630 4.951 4.320 0.001 0.000 0.296 120 A C -1.250 176.497 177.584 0.271 0.000 1.056 120 A CA -1.022 51.276 52.037 0.435 0.000 0.693 120 A CB 0.983 20.221 19.000 0.396 0.000 1.278 120 A HN 0.895 nan 8.150 nan 0.000 0.408 121 I N 1.878 122.483 120.570 0.059 0.000 2.330 121 I HA 0.383 4.554 4.170 0.001 0.000 0.289 121 I C -0.806 175.323 176.117 0.020 0.000 1.001 121 I CA -0.627 60.623 61.300 -0.083 0.000 1.193 121 I CB 1.483 39.298 38.000 -0.308 0.000 1.345 121 I HN 0.539 nan 8.210 nan 0.000 0.461 122 L N 7.163 128.429 121.223 0.072 0.000 2.280 122 L HA 0.625 4.966 4.340 0.001 0.000 0.287 122 L C -0.196 176.706 176.870 0.053 0.000 1.023 122 L CA 0.427 55.322 54.840 0.092 0.000 0.819 122 L CB 1.443 43.625 42.059 0.204 0.000 1.212 122 L HN 0.645 nan 8.230 nan 0.000 0.420 123 T N 2.625 117.183 114.554 0.006 0.000 2.900 123 T HA 0.464 4.815 4.350 0.001 0.000 0.303 123 T C -0.794 173.888 174.700 -0.029 0.000 1.142 123 T CA -0.715 61.372 62.100 -0.021 0.000 1.007 123 T CB 1.160 69.982 68.868 -0.077 0.000 1.156 123 T HN 0.513 nan 8.240 nan 0.000 0.490 124 N N 2.634 121.326 118.700 -0.013 0.000 2.918 124 N HA 0.364 5.104 4.740 0.001 0.000 0.247 124 N C -0.239 175.260 175.510 -0.018 0.000 1.117 124 N CA -0.058 52.996 53.050 0.008 0.000 1.005 124 N CB 1.127 39.649 38.487 0.058 0.000 1.297 124 N HN 0.637 nan 8.380 nan 0.000 0.513 125 T N -0.227 114.260 114.554 -0.112 0.000 2.876 125 T HA 0.752 5.103 4.350 0.001 0.000 0.277 125 T C -1.088 173.529 174.700 -0.138 0.000 0.997 125 T CA -0.570 61.336 62.100 -0.325 0.000 0.966 125 T CB 0.576 69.151 68.868 -0.488 0.000 1.312 125 T HN 0.449 nan 8.240 nan 0.000 0.598 126 W N -0.012 121.264 121.300 -0.040 0.000 3.040 126 W HA 0.704 5.365 4.660 0.001 0.000 0.344 126 W C -1.940 174.558 176.519 -0.034 0.000 1.201 126 W CA -1.297 56.010 57.345 -0.063 0.000 1.119 126 W CB 0.284 29.673 29.460 -0.119 0.000 1.478 126 W HN 0.463 nan 8.180 nan 0.000 0.586 127 L N 2.980 124.376 121.223 0.288 0.000 2.312 127 L HA 0.125 4.466 4.340 0.001 0.000 0.287 127 L C 0.124 177.189 176.870 0.325 0.000 1.091 127 L CA -0.100 54.856 54.840 0.193 0.000 0.846 127 L CB -0.070 42.060 42.059 0.117 0.000 1.219 127 L HN 0.393 nan 8.230 nan 0.000 0.439 128 D N 3.894 124.489 120.400 0.326 0.000 2.374 128 D HA 0.016 4.657 4.640 0.001 0.000 0.240 128 D C 0.123 176.531 176.300 0.180 0.000 1.229 128 D CA -0.154 54.058 54.000 0.353 0.000 0.895 128 D CB 0.918 41.935 40.800 0.362 0.000 1.046 128 D HN 0.510 nan 8.370 nan 0.000 0.498 129 D N 2.390 122.875 120.400 0.141 0.000 2.559 129 D HA 0.056 4.696 4.640 0.001 0.000 0.234 129 D C 0.375 176.719 176.300 0.073 0.000 1.226 129 D CA -0.440 53.612 54.000 0.088 0.000 0.830 129 D CB -0.001 40.839 40.800 0.067 0.000 1.028 129 D HN 0.179 nan 8.370 nan 0.000 0.492 130 R N -0.130 120.424 120.500 0.090 0.000 2.707 130 R HA 0.527 4.868 4.340 0.001 0.000 0.270 130 R C 1.341 177.675 176.300 0.058 0.000 1.083 130 R CA 0.128 56.270 56.100 0.070 0.000 1.182 130 R CB 0.595 30.949 30.300 0.090 0.000 1.084 130 R HN 0.094 nan 8.270 nan 0.000 0.528 131 A N 1.555 124.400 122.820 0.042 0.000 1.969 131 A HA -0.132 4.189 4.320 0.001 0.000 0.218 131 A C 1.007 178.614 177.584 0.037 0.000 1.169 131 A CA 1.302 53.358 52.037 0.032 0.000 0.635 131 A CB -0.135 18.878 19.000 0.022 0.000 0.810 131 A HN 0.715 nan 8.150 nan 0.000 0.445 132 E N -0.244 119.985 120.200 0.049 0.000 2.403 132 E HA 0.049 4.399 4.350 0.001 0.000 0.188 132 E C 1.532 178.174 176.600 0.070 0.000 1.056 132 E CA 0.184 56.615 56.400 0.052 0.000 0.892 132 E CB -0.131 29.602 29.700 0.054 0.000 1.049 132 E HN 0.777 nan 8.360 nan 0.000 0.465 133 R N 0.389 120.935 120.500 0.076 0.000 2.127 133 R HA -0.183 4.158 4.340 0.001 0.000 0.238 133 R C 1.291 177.630 176.300 0.065 0.000 1.134 133 R CA 1.613 57.770 56.100 0.094 0.000 0.975 133 R CB -0.398 29.957 30.300 0.091 0.000 0.865 133 R HN 0.013 nan 8.270 nan 0.000 0.447 134 D N 0.713 121.139 120.400 0.043 0.000 2.280 134 D HA -0.120 4.521 4.640 0.001 0.000 0.206 134 D C 1.842 178.158 176.300 0.025 0.000 0.988 134 D CA 1.574 55.589 54.000 0.026 0.000 0.886 134 D CB -0.398 40.411 40.800 0.014 0.000 0.914 134 D HN 0.443 nan 8.370 nan 0.000 0.473 135 G N 0.587 109.411 108.800 0.039 0.000 2.587 135 G HA2 -0.262 3.699 3.960 0.001 0.000 0.217 135 G HA3 -0.262 3.699 3.960 0.001 0.000 0.217 135 G C 1.800 176.719 174.900 0.031 0.000 1.240 135 G CA 0.860 45.982 45.100 0.038 0.000 0.794 135 G HN 0.378 nan 8.290 nan 0.000 0.580 136 L N 0.799 122.048 121.223 0.043 0.000 1.997 136 L HA -0.212 4.129 4.340 0.001 0.000 0.216 136 L C 3.509 180.374 176.870 -0.008 0.000 1.074 136 L CA 1.450 56.297 54.840 0.011 0.000 0.763 136 L CB -0.566 41.498 42.059 0.008 0.000 0.890 136 L HN 0.356 nan 8.230 nan 0.000 0.434 137 A N -0.484 122.337 122.820 0.001 0.000 1.909 137 A HA -0.359 3.962 4.320 0.001 0.000 0.221 137 A C 2.125 179.703 177.584 -0.009 0.000 1.223 137 A CA 2.454 54.487 52.037 -0.006 0.000 0.658 137 A CB -0.738 18.264 19.000 0.003 0.000 0.831 137 A HN 0.620 nan 8.150 nan 0.000 0.462 138 Q N -1.336 118.462 119.800 -0.002 0.000 2.079 138 Q HA -0.062 4.278 4.340 0.001 0.000 0.200 138 Q C 2.182 178.183 176.000 0.000 0.000 0.974 138 Q CA 1.280 57.081 55.803 -0.002 0.000 0.840 138 Q CB -0.310 28.428 28.738 0.000 0.000 0.898 138 Q HN 0.652 nan 8.270 nan 0.000 0.430 139 L N 0.223 121.446 121.223 0.000 0.000 2.046 139 L HA -0.187 4.154 4.340 0.001 0.000 0.208 139 L C 2.151 179.018 176.870 -0.005 0.000 1.077 139 L CA 1.353 56.194 54.840 0.002 0.000 0.747 139 L CB -0.108 41.949 42.059 -0.005 0.000 0.896 139 L HN 0.208 nan 8.230 nan 0.000 0.432 140 M N -1.508 118.078 119.600 -0.023 0.000 2.156 140 M HA -0.188 4.293 4.480 0.001 0.000 0.264 140 M C 2.591 178.879 176.300 -0.020 0.000 1.067 140 M CA 1.456 56.736 55.300 -0.033 0.000 1.131 140 M CB -2.106 30.463 32.600 -0.052 0.000 1.368 140 M HN 0.513 nan 8.290 nan 0.000 0.416 141 C N 0.934 120.222 119.300 -0.019 0.000 2.398 141 C HA -0.210 4.251 4.460 0.001 0.000 0.279 141 C C 2.660 177.632 174.990 -0.030 0.000 1.250 141 C CA 1.648 60.652 59.018 -0.023 0.000 1.786 141 C CB -0.867 26.862 27.740 -0.018 0.000 2.018 141 C HN 0.612 nan 8.230 nan 0.000 0.494 142 E N -0.625 119.570 120.200 -0.008 0.000 2.057 142 E HA -0.044 4.307 4.350 0.001 0.000 0.190 142 E C 2.237 178.844 176.600 0.012 0.000 0.969 142 E CA 0.626 57.030 56.400 0.006 0.000 0.812 142 E CB -0.194 29.546 29.700 0.067 0.000 0.777 142 E HN 0.669 nan 8.360 nan 0.000 0.455 143 L N 1.111 122.387 121.223 0.087 0.000 2.017 143 L HA -0.203 4.138 4.340 0.001 0.000 0.208 143 L C 2.694 179.680 176.870 0.193 0.000 1.073 143 L CA 1.251 56.214 54.840 0.205 0.000 0.745 143 L CB -0.394 41.715 42.059 0.083 0.000 0.894 143 L HN 0.119 nan 8.230 nan 0.000 0.432 144 K N 0.213 120.647 120.400 0.056 0.000 2.071 144 K HA -0.302 4.019 4.320 0.001 0.000 0.217 144 K C 2.160 178.780 176.600 0.033 0.000 1.054 144 K CA 2.690 59.005 56.287 0.046 0.000 0.937 144 K CB -0.321 32.174 32.500 -0.008 0.000 0.719 144 K HN 0.400 nan 8.250 nan 0.000 0.454 145 M N -0.689 118.833 119.600 -0.129 0.000 2.202 145 M HA -0.155 4.326 4.480 0.001 0.000 0.262 145 M C 1.094 177.269 176.300 -0.209 0.000 1.063 145 M CA 1.729 56.899 55.300 -0.216 0.000 1.097 145 M CB -0.673 31.716 32.600 -0.353 0.000 1.382 145 M HN 0.113 nan 8.290 nan 0.000 0.413 146 H N -0.200 118.882 119.070 0.019 0.000 2.556 146 H HA 0.276 4.833 4.556 0.001 0.000 0.268 146 H C -0.719 174.271 175.328 -0.563 0.000 0.996 146 H CA 0.397 56.309 56.048 -0.227 0.000 1.157 146 H CB -0.527 29.069 29.762 -0.277 0.000 1.355 146 H HN 0.361 nan 8.280 nan 0.000 0.597 147 F N -0.110 119.848 119.950 0.014 0.000 2.556 147 F HA 0.209 4.737 4.527 0.001 0.000 0.314 147 F C 1.077 176.823 175.800 -0.089 0.000 1.106 147 F CA -1.217 56.782 58.000 -0.001 0.000 0.911 147 F CB 1.722 40.744 39.000 0.037 0.000 1.190 147 F HN -0.215 nan 8.300 nan 0.000 0.448 148 D N 1.511 121.888 120.400 -0.039 0.000 2.123 148 D HA -0.122 4.519 4.640 0.001 0.000 0.196 148 D C 0.083 176.012 176.300 -0.618 0.000 0.992 148 D CA 2.052 55.807 54.000 -0.408 0.000 0.833 148 D CB 0.092 40.546 40.800 -0.576 0.000 0.954 148 D HN 0.117 nan 8.370 nan 0.000 0.455 149 F N -0.905 119.132 119.950 0.145 0.000 2.593 149 F HA 0.479 5.007 4.527 0.001 0.000 0.320 149 F C -0.355 175.498 175.800 0.090 0.000 1.060 149 F CA -1.222 56.831 58.000 0.089 0.000 0.940 149 F CB 1.706 40.730 39.000 0.041 0.000 1.268 149 F HN -0.339 nan 8.300 nan 0.000 0.475 150 L N 3.427 124.806 121.223 0.260 0.000 2.529 150 L HA 0.559 4.900 4.340 0.001 0.000 0.260 150 L C -1.552 175.381 176.870 0.104 0.000 0.997 150 L CA -0.125 54.785 54.840 0.117 0.000 0.885 150 L CB 0.753 42.847 42.059 0.058 0.000 1.185 150 L HN 0.503 nan 8.230 nan 0.000 0.442 151 I N 3.930 124.556 120.570 0.093 0.000 2.287 151 I HA 0.280 4.451 4.170 0.001 0.000 0.290 151 I C 0.125 176.274 176.117 0.054 0.000 1.069 151 I CA -0.218 61.144 61.300 0.104 0.000 1.237 151 I CB 0.647 38.718 38.000 0.120 0.000 1.418 151 I HN 0.570 nan 8.210 nan 0.000 0.481 152 E N 3.759 123.979 120.200 0.033 0.000 2.227 152 E HA 0.122 4.473 4.350 0.001 0.000 0.282 152 E C 0.994 177.582 176.600 -0.020 0.000 1.015 152 E CA -0.234 56.155 56.400 -0.019 0.000 0.823 152 E CB 1.501 31.174 29.700 -0.045 0.000 1.081 152 E HN 0.699 nan 8.360 nan 0.000 0.396 153 S N 1.762 117.441 115.700 -0.035 0.000 2.351 153 S HA -0.220 4.251 4.470 0.001 0.000 0.220 153 S C 2.088 176.666 174.600 -0.037 0.000 1.035 153 S CA 1.451 59.630 58.200 -0.036 0.000 1.031 153 S CB -0.843 62.345 63.200 -0.020 0.000 0.928 153 S HN 0.825 nan 8.310 nan 0.000 0.433 154 C N 0.115 119.399 119.300 -0.027 0.000 2.485 154 C HA 0.306 4.767 4.460 0.001 0.000 0.283 154 C C 2.236 177.214 174.990 -0.020 0.000 1.478 154 C CA 0.456 59.467 59.018 -0.011 0.000 1.741 154 C CB -1.677 26.073 27.740 0.017 0.000 1.675 154 C HN 0.531 nan 8.230 nan 0.000 0.573 155 Q N 1.117 120.898 119.800 -0.031 0.000 2.511 155 Q HA 0.152 4.493 4.340 0.001 0.000 0.236 155 Q C 2.122 178.091 176.000 -0.052 0.000 0.893 155 Q CA 1.662 57.450 55.803 -0.025 0.000 0.947 155 Q CB 0.193 28.928 28.738 -0.006 0.000 1.110 155 Q HN 0.656 nan 8.270 nan 0.000 0.591 156 V N -2.758 117.102 119.914 -0.090 0.000 3.623 156 V HA 0.420 4.541 4.120 0.001 0.000 0.271 156 V C 1.131 177.085 176.094 -0.235 0.000 1.248 156 V CA 0.804 62.972 62.300 -0.221 0.000 1.156 156 V CB -0.418 31.190 31.823 -0.359 0.000 0.870 156 V HN 0.356 nan 8.190 nan 0.000 0.453 157 G N 0.575 109.294 108.800 -0.136 0.000 2.160 157 G HA2 -0.274 3.687 3.960 0.001 0.000 0.251 157 G HA3 -0.274 3.687 3.960 0.001 0.000 0.251 157 G C -0.141 174.691 174.900 -0.113 0.000 1.008 157 G CA 0.886 45.920 45.100 -0.110 0.000 0.724 157 G HN 0.668 nan 8.290 nan 0.000 0.514 158 M N -0.429 119.099 119.600 -0.121 0.000 2.433 158 M HA 0.624 5.105 4.480 0.001 0.000 0.290 158 M C 0.221 176.484 176.300 -0.061 0.000 1.173 158 M CA -1.089 54.153 55.300 -0.096 0.000 0.905 158 M CB 2.630 35.146 32.600 -0.140 0.000 1.692 158 M HN 0.327 nan 8.290 nan 0.000 0.462 159 V N -1.228 118.670 119.914 -0.027 0.000 3.177 159 V HA 0.647 4.768 4.120 0.001 0.000 0.319 159 V C -0.293 175.807 176.094 0.010 0.000 1.125 159 V CA -1.084 61.213 62.300 -0.004 0.000 1.029 159 V CB 1.536 33.370 31.823 0.018 0.000 1.119 159 V HN 0.798 nan 8.190 nan 0.000 0.452 160 K N 1.127 121.548 120.400 0.034 0.000 2.143 160 K HA 0.571 4.891 4.320 0.001 0.000 0.272 160 K C -2.153 174.530 176.600 0.139 0.000 1.001 160 K CA -0.879 55.459 56.287 0.085 0.000 0.915 160 K CB 1.251 33.812 32.500 0.101 0.000 1.047 160 K HN 0.683 nan 8.250 nan 0.000 0.458 161 P HA -0.129 nan 4.420 nan 0.000 0.535 161 P C -1.408 176.038 177.300 0.243 0.000 0.419 161 P CA 0.422 63.661 63.100 0.232 0.000 2.509 161 P CB -0.403 31.359 31.700 0.104 0.000 1.141 162 E N 1.230 121.538 120.200 0.181 0.000 2.752 162 E HA -0.069 4.282 4.350 0.001 0.000 0.241 162 E C -1.644 175.099 176.600 0.238 0.000 1.016 162 E CA -0.530 55.950 56.400 0.133 0.000 0.952 162 E CB 0.000 29.744 29.700 0.072 0.000 0.921 162 E HN 0.300 nan 8.360 nan 0.000 0.515 163 P HA -0.321 nan 4.420 nan 0.000 0.216 163 P C 1.450 178.890 177.300 0.234 0.000 1.153 163 P CA 1.454 64.664 63.100 0.185 0.000 0.858 163 P CB 0.031 31.741 31.700 0.017 0.000 0.789 164 Q N -0.227 119.643 119.800 0.117 0.000 2.142 164 Q HA -0.258 4.083 4.340 0.001 0.000 0.213 164 Q C 2.149 178.201 176.000 0.085 0.000 1.004 164 Q CA 1.884 57.729 55.803 0.070 0.000 0.883 164 Q CB -1.697 27.048 28.738 0.011 0.000 0.939 164 Q HN 0.267 nan 8.270 nan 0.000 0.413 165 I N -0.076 120.523 120.570 0.048 0.000 2.286 165 I HA -0.281 3.890 4.170 0.001 0.000 0.248 165 I C 1.725 177.813 176.117 -0.049 0.000 1.115 165 I CA 1.274 62.561 61.300 -0.022 0.000 1.392 165 I CB -0.013 37.888 38.000 -0.166 0.000 1.065 165 I HN 0.179 nan 8.210 nan 0.000 0.418 166 Y N 0.814 121.105 120.300 -0.016 0.000 2.293 166 Y HA -0.176 4.374 4.550 0.001 0.000 0.291 166 Y C 2.479 178.358 175.900 -0.035 0.000 1.137 166 Y CA 0.940 58.992 58.100 -0.080 0.000 1.202 166 Y CB -0.447 37.926 38.460 -0.146 0.000 0.990 166 Y HN -0.003 nan 8.280 nan 0.000 0.537 167 K N -0.549 119.941 120.400 0.152 0.000 2.103 167 K HA -0.138 4.183 4.320 0.001 0.000 0.204 167 K C 1.994 178.649 176.600 0.091 0.000 1.052 167 K CA 0.905 57.248 56.287 0.094 0.000 0.945 167 K CB -0.883 31.669 32.500 0.086 0.000 0.722 167 K HN 0.292 nan 8.250 nan 0.000 0.443 168 F N 2.046 121.964 119.950 -0.052 0.000 2.102 168 F HA -0.203 4.325 4.527 0.001 0.000 0.298 168 F C 2.091 177.825 175.800 -0.110 0.000 1.105 168 F CA 0.897 58.847 58.000 -0.083 0.000 1.239 168 F CB -0.488 38.457 39.000 -0.093 0.000 0.991 168 F HN -0.076 nan 8.300 nan 0.000 0.474 169 L N -0.095 121.060 121.223 -0.113 0.000 1.994 169 L HA -0.185 4.156 4.340 0.001 0.000 0.208 169 L C 2.190 178.943 176.870 -0.195 0.000 1.071 169 L CA 1.691 56.407 54.840 -0.206 0.000 0.745 169 L CB -1.241 40.741 42.059 -0.128 0.000 0.892 169 L HN 0.157 nan 8.230 nan 0.000 0.431 170 L N -0.030 121.133 121.223 -0.100 0.000 1.990 170 L HA -0.276 4.065 4.340 0.001 0.000 0.213 170 L C 2.365 179.164 176.870 -0.118 0.000 1.072 170 L CA 2.277 57.074 54.840 -0.071 0.000 0.755 170 L CB -1.142 40.902 42.059 -0.024 0.000 0.889 170 L HN 0.484 nan 8.230 nan 0.000 0.432 171 D N -2.020 118.295 120.400 -0.142 0.000 2.178 171 D HA -0.159 4.482 4.640 0.001 0.000 0.201 171 D C 1.922 178.051 176.300 -0.285 0.000 0.980 171 D CA 1.429 55.331 54.000 -0.163 0.000 0.842 171 D CB 0.188 40.920 40.800 -0.113 0.000 0.948 171 D HN 0.292 nan 8.370 nan 0.000 0.472 172 T N -0.208 114.060 114.554 -0.477 0.000 2.812 172 T HA -0.064 4.287 4.350 0.001 0.000 0.264 172 T C 1.627 175.971 174.700 -0.592 0.000 1.042 172 T CA 0.552 62.237 62.100 -0.692 0.000 1.140 172 T CB -0.121 68.159 68.868 -0.980 0.000 0.870 172 T HN 0.075 nan 8.240 nan 0.000 0.445 173 L N 0.786 121.814 121.223 -0.325 0.000 2.376 173 L HA 0.187 4.528 4.340 0.001 0.000 0.219 173 L C 1.054 177.915 176.870 -0.015 0.000 1.133 173 L CA 1.099 55.901 54.840 -0.063 0.000 0.816 173 L CB -0.713 41.356 42.059 0.018 0.000 0.933 173 L HN 0.266 nan 8.230 nan 0.000 0.449 174 K N -1.251 119.101 120.400 -0.080 0.000 3.117 174 K HA -0.162 4.159 4.320 0.001 0.000 0.269 174 K C -0.030 176.557 176.600 -0.021 0.000 1.098 174 K CA 0.488 56.749 56.287 -0.043 0.000 0.785 174 K CB -1.794 30.700 32.500 -0.010 0.000 1.242 174 K HN 0.356 nan 8.250 nan 0.000 0.491 175 A N 0.376 123.181 122.820 -0.026 0.000 2.539 175 A HA 0.700 5.020 4.320 0.001 0.000 0.296 175 A C -0.147 177.428 177.584 -0.016 0.000 1.073 175 A CA -0.298 51.729 52.037 -0.017 0.000 0.700 175 A CB 1.414 20.409 19.000 -0.008 0.000 1.296 175 A HN 0.257 nan 8.150 nan 0.000 0.405 176 S N 1.452 117.145 115.700 -0.012 0.000 2.585 176 S HA 0.539 5.009 4.470 0.001 0.000 0.277 176 S C -2.063 172.538 174.600 0.000 0.000 1.241 176 S CA -1.117 57.078 58.200 -0.008 0.000 1.041 176 S CB 1.053 64.248 63.200 -0.009 0.000 0.987 176 S HN 0.386 nan 8.310 nan 0.000 0.512 177 P HA -0.241 nan 4.420 nan 0.000 0.222 177 P C 1.707 179.018 177.300 0.019 0.000 1.157 177 P CA 1.860 64.967 63.100 0.012 0.000 0.905 177 P CB -0.150 31.551 31.700 0.002 0.000 0.792 178 S N -0.589 115.117 115.700 0.011 0.000 2.423 178 S HA -0.207 4.263 4.470 0.001 0.000 0.238 178 S C 1.199 175.809 174.600 0.017 0.000 1.028 178 S CA 1.523 59.731 58.200 0.013 0.000 1.000 178 S CB -0.849 62.354 63.200 0.006 0.000 0.797 178 S HN 0.424 nan 8.310 nan 0.000 0.487 179 E N -0.034 120.171 120.200 0.009 0.000 2.609 179 E HA 0.377 4.728 4.350 0.001 0.000 0.208 179 E C -0.645 175.964 176.600 0.015 0.000 1.013 179 E CA -0.399 55.999 56.400 -0.004 0.000 1.093 179 E CB 0.532 30.207 29.700 -0.042 0.000 1.129 179 E HN 0.222 nan 8.360 nan 0.000 0.450 180 V N 0.887 120.835 119.914 0.057 0.000 2.789 180 V HA 0.326 4.447 4.120 0.001 0.000 0.311 180 V C -0.452 175.718 176.094 0.126 0.000 1.073 180 V CA -0.987 61.372 62.300 0.098 0.000 0.921 180 V CB 2.253 34.129 31.823 0.088 0.000 1.009 180 V HN 0.162 nan 8.190 nan 0.000 0.426 181 V N 4.089 124.092 119.914 0.149 0.000 2.417 181 V HA 0.540 4.661 4.120 0.001 0.000 0.291 181 V C -0.855 175.298 176.094 0.098 0.000 1.024 181 V CA -0.570 61.792 62.300 0.102 0.000 0.861 181 V CB 1.538 33.397 31.823 0.060 0.000 0.985 181 V HN 0.693 nan 8.190 nan 0.000 0.436 182 F N 6.213 126.131 119.950 -0.054 0.000 2.477 182 F HA 0.735 5.263 4.527 0.001 0.000 0.335 182 F C -1.085 174.657 175.800 -0.095 0.000 1.130 182 F CA -0.931 57.031 58.000 -0.064 0.000 0.948 182 F CB 1.344 40.363 39.000 0.031 0.000 1.154 182 F HN 0.229 nan 8.300 nan 0.000 0.439 183 L N 5.899 126.659 121.223 -0.771 0.000 2.313 183 L HA 0.542 4.882 4.340 0.001 0.000 0.283 183 L C -0.735 175.710 176.870 -0.709 0.000 1.013 183 L CA -0.467 54.022 54.840 -0.586 0.000 0.816 183 L CB 1.224 43.012 42.059 -0.452 0.000 1.236 183 L HN 0.601 nan 8.230 nan 0.000 0.419 184 D N 1.016 121.155 120.400 -0.434 0.000 2.602 184 D HA 0.185 4.826 4.640 0.001 0.000 0.236 184 D C -0.296 175.937 176.300 -0.113 0.000 1.209 184 D CA -0.194 53.639 54.000 -0.279 0.000 0.831 184 D CB 3.119 43.807 40.800 -0.187 0.000 1.478 184 D HN 0.618 nan 8.370 nan 0.000 0.438 185 D N 0.759 121.117 120.400 -0.071 0.000 2.360 185 D HA 0.088 4.729 4.640 0.001 0.000 0.210 185 D C 0.691 176.972 176.300 -0.031 0.000 1.047 185 D CA 0.135 54.111 54.000 -0.039 0.000 0.854 185 D CB 0.717 41.500 40.800 -0.029 0.000 0.936 185 D HN 0.272 nan 8.370 nan 0.000 0.514 186 I N 1.016 121.570 120.570 -0.026 0.000 2.339 186 I HA 0.282 4.453 4.170 0.001 0.000 0.290 186 I C 1.671 177.806 176.117 0.031 0.000 0.994 186 I CA -0.762 60.528 61.300 -0.017 0.000 1.191 186 I CB 2.148 40.125 38.000 -0.038 0.000 1.343 186 I HN -0.094 nan 8.210 nan 0.000 0.458 187 G N 4.196 113.011 108.800 0.025 0.000 2.459 187 G HA2 -0.287 3.673 3.960 0.001 0.000 0.217 187 G HA3 -0.287 3.673 3.960 0.001 0.000 0.217 187 G C 1.668 176.601 174.900 0.055 0.000 1.183 187 G CA 1.009 46.132 45.100 0.039 0.000 0.776 187 G HN 0.745 nan 8.290 nan 0.000 0.552 188 A N 1.366 124.214 122.820 0.046 0.000 1.958 188 A HA -0.206 4.115 4.320 0.001 0.000 0.221 188 A C 2.160 179.791 177.584 0.079 0.000 1.178 188 A CA 2.177 54.243 52.037 0.048 0.000 0.642 188 A CB -0.536 18.491 19.000 0.045 0.000 0.816 188 A HN 0.390 nan 8.150 nan 0.000 0.453 189 N N -0.340 118.447 118.700 0.145 0.000 2.550 189 N HA 0.014 4.755 4.740 0.001 0.000 0.186 189 N C 1.286 177.002 175.510 0.344 0.000 1.110 189 N CA 0.863 54.085 53.050 0.288 0.000 0.912 189 N CB -0.302 38.401 38.487 0.361 0.000 0.968 189 N HN 0.595 nan 8.380 nan 0.000 0.448 190 L N -0.267 121.085 121.223 0.214 0.000 2.298 190 L HA 0.082 4.423 4.340 0.001 0.000 0.209 190 L C 2.228 179.117 176.870 0.033 0.000 1.084 190 L CA 0.389 55.350 54.840 0.202 0.000 0.816 190 L CB -0.242 41.907 42.059 0.151 0.000 0.967 190 L HN -0.050 nan 8.230 nan 0.000 0.460 191 K N 1.542 121.927 120.400 -0.025 0.000 1.969 191 K HA -0.139 4.182 4.320 0.001 0.000 0.216 191 K C -0.643 175.834 176.600 -0.207 0.000 1.048 191 K CA 1.880 58.116 56.287 -0.086 0.000 0.948 191 K CB -1.481 30.978 32.500 -0.068 0.000 0.726 191 K HN -0.027 nan 8.250 nan 0.000 0.442 192 P HA -0.254 nan 4.420 nan 0.000 0.218 192 P C 0.873 177.781 177.300 -0.653 0.000 1.152 192 P CA 2.303 65.016 63.100 -0.645 0.000 0.857 192 P CB -0.231 30.732 31.700 -1.228 0.000 0.787 193 A N -0.564 121.907 122.820 -0.582 0.000 1.858 193 A HA -0.211 4.110 4.320 0.001 0.000 0.216 193 A C 2.349 179.855 177.584 -0.130 0.000 1.190 193 A CA 1.667 53.531 52.037 -0.290 0.000 0.617 193 A CB -1.097 17.831 19.000 -0.120 0.000 0.827 193 A HN 0.041 nan 8.150 nan 0.000 0.443 194 R N -0.591 119.856 120.500 -0.088 0.000 2.092 194 R HA -0.095 4.246 4.340 0.001 0.000 0.231 194 R C 1.459 177.721 176.300 -0.064 0.000 1.119 194 R CA 1.254 57.327 56.100 -0.044 0.000 0.970 194 R CB -0.282 30.006 30.300 -0.021 0.000 0.864 194 R HN 0.491 nan 8.270 nan 0.000 0.440 195 D N 0.379 120.718 120.400 -0.102 0.000 2.265 195 D HA -0.152 4.489 4.640 0.001 0.000 0.208 195 D C 1.516 177.768 176.300 -0.080 0.000 0.977 195 D CA 0.855 54.800 54.000 -0.091 0.000 0.871 195 D CB 0.193 40.922 40.800 -0.119 0.000 0.925 195 D HN 0.132 nan 8.370 nan 0.000 0.485 196 L N -0.588 120.579 121.223 -0.092 0.000 2.446 196 L HA 0.106 4.447 4.340 0.001 0.000 0.219 196 L C 1.383 178.233 176.870 -0.033 0.000 1.116 196 L CA 0.922 55.726 54.840 -0.060 0.000 0.844 196 L CB -0.547 41.477 42.059 -0.058 0.000 0.970 196 L HN 0.132 nan 8.230 nan 0.000 0.457 197 G N 0.313 109.095 108.800 -0.031 0.000 2.164 197 G HA2 -0.244 3.716 3.960 0.001 0.000 0.212 197 G HA3 -0.244 3.716 3.960 0.001 0.000 0.212 197 G C 0.177 175.080 174.900 0.004 0.000 1.031 197 G CA -0.027 45.066 45.100 -0.011 0.000 0.730 197 G HN 0.241 nan 8.290 nan 0.000 0.501 198 M N 0.101 119.706 119.600 0.009 0.000 2.409 198 M HA 0.504 4.984 4.480 0.001 0.000 0.329 198 M C 0.763 177.097 176.300 0.057 0.000 1.180 198 M CA -0.930 54.394 55.300 0.039 0.000 1.053 198 M CB 1.888 34.520 32.600 0.055 0.000 1.586 198 M HN -0.085 nan 8.290 nan 0.000 0.461 199 V N 1.346 121.303 119.914 0.071 0.000 2.470 199 V HA 0.144 4.265 4.120 0.001 0.000 0.276 199 V C 0.357 176.506 176.094 0.093 0.000 1.040 199 V CA 0.088 62.429 62.300 0.068 0.000 1.008 199 V CB 0.702 32.565 31.823 0.065 0.000 0.990 199 V HN 0.865 nan 8.190 nan 0.000 0.477 200 T N 6.150 120.754 114.554 0.084 0.000 2.912 200 T HA 0.755 5.106 4.350 0.001 0.000 0.288 200 T C -0.768 173.958 174.700 0.043 0.000 1.030 200 T CA -0.469 61.697 62.100 0.109 0.000 1.020 200 T CB 0.912 69.868 68.868 0.145 0.000 1.056 200 T HN 0.457 nan 8.240 nan 0.000 0.480 201 I N 4.152 124.724 120.570 0.004 0.000 2.500 201 I HA 0.365 4.536 4.170 0.001 0.000 0.286 201 I C -0.476 175.619 176.117 -0.037 0.000 1.063 201 I CA -0.784 60.502 61.300 -0.024 0.000 1.062 201 I CB 2.005 39.972 38.000 -0.053 0.000 1.223 201 I HN 0.460 nan 8.210 nan 0.000 0.435 202 L N 7.571 128.785 121.223 -0.013 0.000 2.385 202 L HA 0.298 4.638 4.340 0.001 0.000 0.281 202 L C -0.452 176.406 176.870 -0.021 0.000 1.106 202 L CA -0.330 54.502 54.840 -0.014 0.000 0.856 202 L CB 0.752 42.813 42.059 0.003 0.000 1.186 202 L HN 0.341 nan 8.230 nan 0.000 0.453 203 V N 6.893 126.786 119.914 -0.036 0.000 2.387 203 V HA 0.102 4.222 4.120 0.001 0.000 0.260 203 V C 0.603 176.692 176.094 -0.009 0.000 1.054 203 V CA 0.114 62.401 62.300 -0.023 0.000 0.967 203 V CB 0.982 32.787 31.823 -0.030 0.000 1.036 203 V HN 0.905 nan 8.190 nan 0.000 0.481 204 Q N 2.600 122.400 119.800 -0.000 0.000 2.490 204 Q HA 0.161 4.502 4.340 0.001 0.000 0.190 204 Q C 0.337 176.342 176.000 0.009 0.000 0.969 204 Q CA 0.018 55.825 55.803 0.006 0.000 0.844 204 Q CB 0.294 29.037 28.738 0.008 0.000 1.050 204 Q HN 0.907 nan 8.270 nan 0.000 0.601 205 D N 0.682 121.087 120.400 0.009 0.000 2.249 205 D HA 0.063 4.704 4.640 0.001 0.000 0.246 205 D C 0.223 176.530 176.300 0.011 0.000 1.114 205 D CA 0.030 54.036 54.000 0.010 0.000 0.854 205 D CB 1.962 42.767 40.800 0.009 0.000 1.132 205 D HN 0.095 nan 8.370 nan 0.000 0.461 206 T N 2.611 117.173 114.554 0.014 0.000 2.565 206 T HA -0.266 4.085 4.350 0.001 0.000 0.265 206 T C 1.142 175.852 174.700 0.017 0.000 1.082 206 T CA 1.850 63.961 62.100 0.019 0.000 1.173 206 T CB -0.411 68.467 68.868 0.016 0.000 0.864 206 T HN 0.501 nan 8.240 nan 0.000 0.425 207 D N 0.522 120.929 120.400 0.011 0.000 2.149 207 D HA -0.104 4.537 4.640 0.001 0.000 0.194 207 D C 2.370 178.675 176.300 0.008 0.000 1.001 207 D CA 1.523 55.527 54.000 0.008 0.000 0.849 207 D CB -0.487 40.316 40.800 0.004 0.000 0.939 207 D HN 0.390 nan 8.370 nan 0.000 0.449 208 T N -0.247 114.312 114.554 0.008 0.000 2.701 208 T HA -0.091 4.260 4.350 0.001 0.000 0.263 208 T C 1.973 176.677 174.700 0.006 0.000 1.040 208 T CA 1.475 63.578 62.100 0.006 0.000 1.147 208 T CB -0.552 68.320 68.868 0.006 0.000 0.865 208 T HN 0.207 nan 8.240 nan 0.000 0.426 209 A N 1.801 124.625 122.820 0.008 0.000 1.896 209 A HA -0.154 4.167 4.320 0.001 0.000 0.220 209 A C 2.315 179.905 177.584 0.011 0.000 1.206 209 A CA 1.751 53.792 52.037 0.006 0.000 0.647 209 A CB -1.174 17.833 19.000 0.012 0.000 0.828 209 A HN 0.508 nan 8.150 nan 0.000 0.455 210 L N -1.018 120.218 121.223 0.022 0.000 2.042 210 L HA -0.271 4.070 4.340 0.001 0.000 0.210 210 L C 2.610 179.484 176.870 0.007 0.000 1.076 210 L CA 2.101 56.955 54.840 0.023 0.000 0.749 210 L CB -0.661 41.411 42.059 0.022 0.000 0.893 210 L HN 0.393 nan 8.230 nan 0.000 0.432 211 K N 0.281 120.684 120.400 0.004 0.000 2.020 211 K HA -0.231 4.090 4.320 0.001 0.000 0.212 211 K C 2.033 178.633 176.600 0.000 0.000 1.050 211 K CA 1.896 58.184 56.287 0.001 0.000 0.929 211 K CB -0.228 32.273 32.500 0.002 0.000 0.714 211 K HN 0.384 nan 8.250 nan 0.000 0.443 212 E N 0.625 120.825 120.200 0.000 0.000 2.077 212 E HA -0.205 4.146 4.350 0.001 0.000 0.193 212 E C 2.042 178.640 176.600 -0.004 0.000 0.989 212 E CA 0.910 57.310 56.400 -0.000 0.000 0.800 212 E CB -0.113 29.586 29.700 -0.002 0.000 0.746 212 E HN 0.107 nan 8.360 nan 0.000 0.452 213 L N 1.711 122.928 121.223 -0.010 0.000 2.012 213 L HA -0.217 4.124 4.340 0.001 0.000 0.210 213 L C 2.262 179.117 176.870 -0.026 0.000 1.073 213 L CA 1.955 56.782 54.840 -0.022 0.000 0.748 213 L CB -0.438 41.612 42.059 -0.014 0.000 0.891 213 L HN 0.081 nan 8.230 nan 0.000 0.431 214 E N -0.775 119.413 120.200 -0.020 0.000 2.097 214 E HA -0.329 4.022 4.350 0.001 0.000 0.196 214 E C 2.138 178.732 176.600 -0.011 0.000 1.000 214 E CA 1.582 57.969 56.400 -0.023 0.000 0.804 214 E CB 0.001 29.692 29.700 -0.014 0.000 0.740 214 E HN 0.359 nan 8.360 nan 0.000 0.454 215 K N 0.165 120.563 120.400 -0.003 0.000 1.965 215 K HA -0.110 4.210 4.320 0.001 0.000 0.214 215 K C 1.989 178.599 176.600 0.016 0.000 1.046 215 K CA 1.374 57.665 56.287 0.007 0.000 0.944 215 K CB -0.944 31.560 32.500 0.007 0.000 0.726 215 K HN 0.088 nan 8.250 nan 0.000 0.441 216 V N 0.966 120.890 119.914 0.017 0.000 2.380 216 V HA -0.264 3.857 4.120 0.001 0.000 0.251 216 V C 1.998 178.128 176.094 0.059 0.000 1.063 216 V CA 2.788 65.109 62.300 0.035 0.000 1.055 216 V CB -0.650 31.194 31.823 0.035 0.000 0.657 216 V HN 0.833 nan 8.190 nan 0.000 0.455 217 T N -3.117 111.459 114.554 0.037 0.000 3.065 217 T HA 0.228 4.579 4.350 0.001 0.000 0.252 217 T C 1.451 176.186 174.700 0.058 0.000 1.099 217 T CA 0.795 62.931 62.100 0.061 0.000 1.063 217 T CB 0.160 68.959 68.868 -0.114 0.000 0.948 217 T HN 1.393 nan 8.240 nan 0.000 0.506 218 G N 1.530 110.349 108.800 0.031 0.000 2.323 218 G HA2 -0.194 3.767 3.960 0.001 0.000 0.292 218 G HA3 -0.194 3.767 3.960 0.001 0.000 0.292 218 G C -0.132 174.780 174.900 0.019 0.000 1.040 218 G CA 0.439 45.558 45.100 0.031 0.000 0.942 218 G HN 0.702 nan 8.290 nan 0.000 0.506 219 I N -0.603 119.960 120.570 -0.012 0.000 2.619 219 I HA 0.267 4.438 4.170 0.001 0.000 0.292 219 I C 0.373 176.470 176.117 -0.033 0.000 1.100 219 I CA -1.155 60.130 61.300 -0.026 0.000 1.043 219 I CB 2.059 40.017 38.000 -0.070 0.000 1.239 219 I HN 0.331 nan 8.210 nan 0.000 0.420 220 Q N 6.440 126.225 119.800 -0.025 0.000 2.307 220 Q HA 0.381 4.722 4.340 0.001 0.000 0.261 220 Q C -1.093 174.886 176.000 -0.034 0.000 1.051 220 Q CA -0.160 55.629 55.803 -0.024 0.000 0.911 220 Q CB 0.757 29.486 28.738 -0.016 0.000 1.227 220 Q HN 0.608 nan 8.270 nan 0.000 0.418 221 L N 3.681 124.884 121.223 -0.034 0.000 2.783 221 L HA 0.407 4.748 4.340 0.001 0.000 0.235 221 L C -0.317 176.536 176.870 -0.028 0.000 1.260 221 L CA -0.358 54.460 54.840 -0.037 0.000 1.184 221 L CB 0.108 42.147 42.059 -0.033 0.000 1.472 221 L HN 0.928 nan 8.230 nan 0.000 0.426 222 T N -0.462 114.078 114.554 -0.023 0.000 3.045 222 T HA -0.007 4.344 4.350 0.001 0.000 0.367 222 T C -2.586 172.096 174.700 -0.030 0.000 1.669 222 T CA -1.340 60.744 62.100 -0.026 0.000 0.957 222 T CB 0.135 68.984 68.868 -0.032 0.000 1.914 222 T HN 0.266 nan 8.240 nan 0.000 0.508 223 P HA 0.433 nan 4.420 nan 0.000 0.263 223 P C -0.586 176.689 177.300 -0.041 0.000 1.168 223 P CA 0.087 63.168 63.100 -0.033 0.000 0.759 223 P CB 0.214 31.895 31.700 -0.031 0.000 0.782 224 A N 4.779 127.573 122.820 -0.043 0.000 2.515 224 A HA 0.295 4.615 4.320 0.001 0.000 0.263 224 A C -1.485 176.062 177.584 -0.062 0.000 1.096 224 A CA -0.810 51.196 52.037 -0.051 0.000 0.769 224 A CB -1.133 17.839 19.000 -0.047 0.000 1.040 224 A HN 0.451 nan 8.150 nan 0.000 0.505 225 P HA 0.251 nan 4.420 nan 0.000 0.278 225 P C -0.247 176.997 177.300 -0.094 0.000 1.270 225 P CA -0.377 62.678 63.100 -0.075 0.000 0.800 225 P CB 0.317 31.971 31.700 -0.077 0.000 1.142 226 L N 0.927 122.087 121.223 -0.105 0.000 2.379 226 L HA 0.385 4.726 4.340 0.001 0.000 0.269 226 L C -1.653 175.150 176.870 -0.113 0.000 1.084 226 L CA -2.003 52.730 54.840 -0.178 0.000 0.802 226 L CB 0.466 42.376 42.059 -0.249 0.000 1.175 226 L HN 0.365 nan 8.230 nan 0.000 0.448 227 P HA -0.017 nan 4.420 nan 0.000 0.272 227 P C -0.466 176.906 177.300 0.120 0.000 1.248 227 P CA -0.299 62.803 63.100 0.004 0.000 0.799 227 P CB 0.169 31.884 31.700 0.026 0.000 0.997 228 T N 0.649 115.282 114.554 0.131 0.000 2.870 228 T HA 0.184 4.535 4.350 0.001 0.000 0.300 228 T C 0.512 175.310 174.700 0.162 0.000 0.989 228 T CA 0.315 62.503 62.100 0.146 0.000 1.139 228 T CB 0.009 68.976 68.868 0.166 0.000 0.920 228 T HN 0.336 nan 8.240 nan 0.000 0.537 229 S N 1.351 117.111 115.700 0.100 0.000 2.578 229 S HA 0.524 4.994 4.470 0.001 0.000 0.283 229 S C 0.177 174.751 174.600 -0.043 0.000 1.195 229 S CA -1.008 57.135 58.200 -0.094 0.000 1.050 229 S CB 0.112 63.193 63.200 -0.198 0.000 1.012 229 S HN 0.925 nan 8.310 nan 0.000 0.511 230 C N 4.123 123.389 119.300 -0.058 0.000 2.376 230 C HA 0.620 5.081 4.460 0.001 0.000 0.335 230 C C 0.200 175.252 174.990 0.104 0.000 1.229 230 C CA -1.454 57.590 59.018 0.043 0.000 1.867 230 C CB 0.076 27.866 27.740 0.083 0.000 2.319 230 C HN 0.861 nan 8.230 nan 0.000 0.515 231 N N 3.004 121.755 118.700 0.086 0.000 2.420 231 N HA 0.216 4.957 4.740 0.001 0.000 0.262 231 N C -1.445 174.159 175.510 0.158 0.000 1.144 231 N CA -1.614 51.493 53.050 0.094 0.000 0.952 231 N CB 1.126 39.645 38.487 0.055 0.000 1.081 231 N HN 0.431 nan 8.380 nan 0.000 0.480 232 P HA -0.211 nan 4.420 nan 0.000 0.217 232 P C 1.296 178.793 177.300 0.328 0.000 1.162 232 P CA 1.891 65.227 63.100 0.393 0.000 0.901 232 P CB 0.076 31.990 31.700 0.356 0.000 0.793 233 S N -1.923 113.907 115.700 0.217 0.000 2.500 233 S HA -0.140 4.331 4.470 0.001 0.000 0.239 233 S C 1.471 176.141 174.600 0.117 0.000 0.989 233 S CA 1.304 59.604 58.200 0.167 0.000 0.951 233 S CB -0.930 62.330 63.200 0.101 0.000 0.759 233 S HN 0.098 nan 8.310 nan 0.000 0.523 234 D N 0.496 120.945 120.400 0.082 0.000 2.366 234 D HA 0.204 4.845 4.640 0.001 0.000 0.205 234 D C 0.461 176.748 176.300 -0.022 0.000 1.022 234 D CA 0.278 54.294 54.000 0.027 0.000 0.868 234 D CB 0.019 40.825 40.800 0.011 0.000 0.953 234 D HN 0.369 nan 8.370 nan 0.000 0.514 235 M N 0.415 119.978 119.600 -0.061 0.000 2.226 235 M HA 0.076 4.557 4.480 0.001 0.000 0.324 235 M C 0.731 176.835 176.300 -0.326 0.000 1.112 235 M CA -0.177 54.967 55.300 -0.260 0.000 1.176 235 M CB 0.556 32.854 32.600 -0.504 0.000 1.430 235 M HN -0.274 nan 8.290 nan 0.000 0.462 236 S N 1.694 117.158 115.700 -0.393 0.000 2.475 236 S HA 0.274 4.744 4.470 0.001 0.000 0.281 236 S C -0.618 173.637 174.600 -0.575 0.000 1.198 236 S CA -0.534 57.472 58.200 -0.323 0.000 1.063 236 S CB 0.108 63.161 63.200 -0.244 0.000 0.972 236 S HN 0.524 nan 8.310 nan 0.000 0.486 237 H N 2.754 121.673 119.070 -0.251 0.000 2.458 237 H HA 0.510 5.067 4.556 0.001 0.000 0.330 237 H C 0.546 175.609 175.328 -0.442 0.000 1.111 237 H CA -0.368 55.476 56.048 -0.339 0.000 1.245 237 H CB 1.584 31.380 29.762 0.057 0.000 1.456 237 H HN 0.781 nan 8.280 nan 0.000 0.488 238 G N 1.995 110.236 108.800 -0.932 0.000 2.482 238 G HA2 0.477 4.438 3.960 0.001 0.000 0.317 238 G HA3 0.477 4.438 3.960 0.001 0.000 0.317 238 G C -1.788 172.800 174.900 -0.519 0.000 1.241 238 G CA -0.436 44.168 45.100 -0.827 0.000 0.967 238 G HN 0.403 nan 8.290 nan 0.000 0.482 239 Y N 0.113 120.574 120.300 0.268 0.000 2.406 239 Y HA 0.565 5.116 4.550 0.001 0.000 0.340 239 Y C -0.283 175.819 175.900 0.336 0.000 0.975 239 Y CA -1.016 57.290 58.100 0.343 0.000 1.056 239 Y CB 2.757 41.347 38.460 0.217 0.000 1.210 239 Y HN 0.376 nan 8.280 nan 0.000 0.448 240 V N 2.429 122.618 119.914 0.458 0.000 2.577 240 V HA 0.403 4.524 4.120 0.001 0.000 0.303 240 V C -0.446 175.800 176.094 0.253 0.000 1.042 240 V CA -0.911 61.579 62.300 0.316 0.000 0.872 240 V CB 2.084 34.090 31.823 0.304 0.000 0.998 240 V HN 0.826 nan 8.190 nan 0.000 0.423 241 T N 3.970 118.627 114.554 0.172 0.000 2.729 241 T HA 0.252 4.602 4.350 0.001 0.000 0.296 241 T C 1.092 175.848 174.700 0.094 0.000 0.928 241 T CA -0.120 62.055 62.100 0.124 0.000 1.045 241 T CB 1.282 70.203 68.868 0.089 0.000 0.902 241 T HN 0.709 nan 8.240 nan 0.000 0.500 242 V N 0.866 120.831 119.914 0.086 0.000 3.174 242 V HA 0.450 4.570 4.120 0.001 0.000 0.254 242 V C 0.505 176.611 176.094 0.019 0.000 1.120 242 V CA 0.586 62.920 62.300 0.058 0.000 1.114 242 V CB -0.483 31.378 31.823 0.063 0.000 0.756 242 V HN 0.616 nan 8.190 nan 0.000 0.467 243 K N -0.883 119.525 120.400 0.013 0.000 2.555 243 K HA 0.483 4.804 4.320 0.001 0.000 0.279 243 K C -2.461 174.140 176.600 0.001 0.000 0.986 243 K CA -1.537 54.746 56.287 -0.006 0.000 0.880 243 K CB 2.265 34.745 32.500 -0.032 0.000 1.474 243 K HN -0.317 nan 8.250 nan 0.000 0.433 244 P HA -0.235 nan 4.420 nan 0.000 0.218 244 P C 0.030 177.331 177.300 0.002 0.000 1.165 244 P CA 1.649 64.748 63.100 -0.001 0.000 0.922 244 P CB 0.205 31.900 31.700 -0.008 0.000 0.794 245 R N -1.359 119.136 120.500 -0.008 0.000 2.466 245 R HA 0.242 4.583 4.340 0.001 0.000 0.279 245 R C -0.548 175.752 176.300 -0.000 0.000 0.976 245 R CA 0.001 56.099 56.100 -0.004 0.000 1.081 245 R CB 0.354 30.646 30.300 -0.013 0.000 1.215 245 R HN 0.104 nan 8.270 nan 0.000 0.546 246 V N 1.403 121.320 119.914 0.005 0.000 2.443 246 V HA 0.362 4.483 4.120 0.001 0.000 0.293 246 V C -0.288 175.842 176.094 0.061 0.000 1.021 246 V CA -0.856 61.453 62.300 0.014 0.000 0.848 246 V CB 2.116 33.922 31.823 -0.029 0.000 0.998 246 V HN 0.142 nan 8.190 nan 0.000 0.424 247 R N 4.589 125.148 120.500 0.100 0.000 2.480 247 R HA 0.715 5.055 4.340 0.001 0.000 0.306 247 R C -1.495 174.923 176.300 0.197 0.000 0.958 247 R CA -0.685 55.514 56.100 0.165 0.000 0.861 247 R CB 1.544 31.961 30.300 0.195 0.000 1.171 247 R HN 0.676 nan 8.270 nan 0.000 0.445 248 L N 3.963 125.311 121.223 0.208 0.000 2.309 248 L HA 0.405 4.746 4.340 0.001 0.000 0.282 248 L C 0.162 177.177 176.870 0.242 0.000 1.036 248 L CA -0.783 54.156 54.840 0.165 0.000 0.806 248 L CB 1.406 43.456 42.059 -0.016 0.000 1.220 248 L HN 0.528 nan 8.230 nan 0.000 0.429 249 H N 4.021 123.155 119.070 0.107 0.000 2.472 249 H HA 0.552 5.109 4.556 0.001 0.000 0.338 249 H C -1.558 173.824 175.328 0.090 0.000 1.133 249 H CA -0.551 55.476 56.048 -0.035 0.000 1.216 249 H CB 1.855 31.554 29.762 -0.106 0.000 1.497 249 H HN 0.483 nan 8.280 nan 0.000 0.500 250 F N 2.057 121.386 119.950 -1.035 0.000 2.645 250 F HA 0.530 5.058 4.527 0.001 0.000 0.310 250 F C -2.150 173.103 175.800 -0.912 0.000 1.102 250 F CA -1.129 56.407 58.000 -0.773 0.000 0.952 250 F CB 0.535 39.339 39.000 -0.327 0.000 1.326 250 F HN 0.152 nan 8.300 nan 0.000 0.456 251 V N 1.720 121.158 119.914 -0.792 0.000 2.398 251 V HA 0.452 4.573 4.120 0.001 0.000 0.286 251 V C -0.688 175.109 176.094 -0.495 0.000 1.026 251 V CA -0.510 61.233 62.300 -0.929 0.000 0.868 251 V CB 1.321 32.391 31.823 -1.255 0.000 0.982 251 V HN 0.876 nan 8.190 nan 0.000 0.443 252 E N 4.216 124.120 120.200 -0.494 0.000 2.187 252 E HA 0.718 5.069 4.350 0.001 0.000 0.268 252 E C -1.741 174.748 176.600 -0.184 0.000 0.896 252 E CA -0.725 55.545 56.400 -0.217 0.000 0.766 252 E CB 1.927 31.530 29.700 -0.162 0.000 1.142 252 E HN 0.503 nan 8.360 nan 0.000 0.408 253 L N 4.147 125.311 121.223 -0.099 0.000 2.588 253 L HA 0.700 5.040 4.340 0.001 0.000 0.263 253 L C -0.575 176.277 176.870 -0.029 0.000 0.935 253 L CA 0.767 55.562 54.840 -0.075 0.000 0.891 253 L CB 1.696 43.707 42.059 -0.079 0.000 1.318 253 L HN 0.713 nan 8.230 nan 0.000 0.409 254 G N 2.743 111.528 108.800 -0.025 0.000 2.592 254 G HA2 0.378 4.339 3.960 0.001 0.000 0.684 254 G HA3 0.378 4.339 3.960 0.001 0.000 0.684 254 G C -1.045 173.847 174.900 -0.012 0.000 1.291 254 G CA -0.314 44.781 45.100 -0.007 0.000 0.891 254 G HN 1.748 nan 8.290 nan 0.000 0.544 255 S N -0.761 114.927 115.700 -0.020 0.000 2.569 255 S HA 1.121 5.592 4.470 0.001 0.000 0.280 255 S C 0.404 174.967 174.600 -0.062 0.000 1.111 255 S CA 0.535 58.715 58.200 -0.034 0.000 0.887 255 S CB 1.954 65.131 63.200 -0.038 0.000 1.095 255 S HN 3.085 nan 8.310 nan 0.000 0.476 256 G N 0.890 109.650 108.800 -0.067 0.000 2.316 256 G HA2 0.247 4.207 3.960 0.001 0.000 0.349 256 G HA3 0.247 4.207 3.960 0.001 0.000 0.349 256 G C -3.491 171.368 174.900 -0.069 0.000 1.274 256 G CA -0.862 44.167 45.100 -0.119 0.000 1.018 256 G HN 0.758 nan 8.290 nan 0.000 0.486 257 P HA 0.420 nan 4.420 nan 0.000 0.262 257 P C 0.251 177.596 177.300 0.075 0.000 1.182 257 P CA 0.907 64.020 63.100 0.021 0.000 0.761 257 P CB 0.666 32.413 31.700 0.078 0.000 0.795 258 A N 3.730 126.560 122.820 0.017 0.000 2.454 258 A HA 0.315 4.636 4.320 0.001 0.000 0.260 258 A C -0.110 177.443 177.584 -0.052 0.000 1.106 258 A CA -0.022 52.003 52.037 -0.019 0.000 0.780 258 A CB -0.086 18.877 19.000 -0.062 0.000 1.044 258 A HN 0.389 nan 8.150 nan 0.000 0.498 259 V N 3.435 123.304 119.914 -0.075 0.000 2.326 259 V HA 0.205 4.326 4.120 0.001 0.000 0.281 259 V C -0.115 175.822 176.094 -0.262 0.000 1.015 259 V CA -0.662 61.543 62.300 -0.158 0.000 0.823 259 V CB 1.030 32.766 31.823 -0.145 0.000 1.009 259 V HN 0.989 nan 8.190 nan 0.000 0.436 260 C N 7.676 126.722 119.300 -0.425 0.000 2.303 260 C HA 0.573 5.033 4.460 0.001 0.000 0.341 260 C C 0.145 174.857 174.990 -0.465 0.000 1.244 260 C CA -0.636 58.089 59.018 -0.490 0.000 1.765 260 C CB -1.093 26.163 27.740 -0.807 0.000 2.379 260 C HN 0.799 nan 8.230 nan 0.000 0.530 261 L N 6.653 127.572 121.223 -0.506 0.000 2.260 261 L HA 0.386 4.727 4.340 0.001 0.000 0.289 261 L C -0.196 176.432 176.870 -0.403 0.000 1.057 261 L CA -0.210 54.133 54.840 -0.829 0.000 0.811 261 L CB 0.522 41.620 42.059 -1.601 0.000 1.184 261 L HN 0.640 nan 8.230 nan 0.000 0.429 262 C N 2.619 121.873 119.300 -0.077 0.000 2.258 262 C HA 0.374 4.835 4.460 0.001 0.000 0.321 262 C C 0.509 175.757 174.990 0.430 0.000 1.168 262 C CA -1.118 57.989 59.018 0.149 0.000 1.531 262 C CB -1.097 26.732 27.740 0.149 0.000 2.095 262 C HN 0.829 nan 8.230 nan 0.000 0.449 263 H N 0.856 120.316 119.070 0.651 0.000 2.711 263 H HA 0.559 5.116 4.556 0.001 0.000 0.381 263 H C 0.635 176.085 175.328 0.204 0.000 1.535 263 H CA 0.481 56.806 56.048 0.462 0.000 1.470 263 H CB 0.342 30.272 29.762 0.280 0.000 1.551 263 H HN 0.607 nan 8.280 nan 0.000 0.613 264 G N -1.165 107.895 108.800 0.434 0.000 3.016 264 G HA2 0.383 4.344 3.960 0.001 0.000 0.270 264 G HA3 0.383 4.344 3.960 0.001 0.000 0.270 264 G C -1.524 173.682 174.900 0.510 0.000 1.352 264 G CA -0.949 44.369 45.100 0.363 0.000 1.060 264 G HN 0.641 nan 8.290 nan 0.000 0.538 265 F N 2.146 122.408 119.950 0.519 0.000 2.404 265 F HA 0.626 5.154 4.527 0.001 0.000 0.345 265 F C -2.023 174.322 175.800 0.909 0.000 1.110 265 F CA -2.844 55.605 58.000 0.748 0.000 1.130 265 F CB 2.151 41.652 39.000 0.835 0.000 1.129 265 F HN 0.089 nan 8.300 nan 0.000 0.500 266 P HA 0.326 nan 4.420 nan 0.000 0.241 266 P C -1.405 176.282 177.300 0.646 0.000 1.696 266 P CA -0.132 63.063 63.100 0.159 0.000 1.175 266 P CB 1.358 32.825 31.700 -0.387 0.000 1.551 267 E N 1.239 121.780 120.200 0.568 0.000 2.698 267 E HA 0.683 5.033 4.350 0.001 0.000 0.185 267 E C -0.028 176.517 176.600 -0.092 0.000 0.702 267 E CA -0.724 55.928 56.400 0.420 0.000 1.104 267 E CB 1.133 31.006 29.700 0.289 0.000 1.831 267 E HN 0.463 nan 8.360 nan 0.000 0.370 268 S N -1.040 114.359 115.700 -0.502 0.000 2.703 268 S HA 0.091 4.562 4.470 0.001 0.000 0.273 268 S C -0.000 174.419 174.600 -0.302 0.000 1.178 268 S CA -0.739 57.054 58.200 -0.677 0.000 0.838 268 S CB -0.236 62.833 63.200 -0.217 0.000 1.178 268 S HN 0.858 nan 8.310 nan 0.000 0.494 269 W N 0.192 121.554 121.300 0.102 0.000 2.392 269 W HA -0.103 4.558 4.660 0.001 0.000 0.279 269 W C 1.223 177.891 176.519 0.249 0.000 1.225 269 W CA 1.233 58.765 57.345 0.311 0.000 1.233 269 W CB -0.975 28.627 29.460 0.237 0.000 1.122 269 W HN 0.774 nan 8.180 nan 0.000 0.561 270 Y N 2.830 122.483 120.300 -1.078 0.000 2.483 270 Y HA -0.155 4.396 4.550 0.001 0.000 0.291 270 Y C 2.610 178.120 175.900 -0.649 0.000 1.143 270 Y CA 1.719 58.983 58.100 -1.394 0.000 1.289 270 Y CB -0.674 36.704 38.460 -1.802 0.000 0.983 270 Y HN -0.116 nan 8.280 nan 0.000 0.556 271 S N -1.331 114.159 115.700 -0.350 0.000 2.507 271 S HA -0.171 4.300 4.470 0.001 0.000 0.235 271 S C 0.788 175.078 174.600 -0.517 0.000 0.988 271 S CA 1.051 59.019 58.200 -0.387 0.000 0.944 271 S CB -0.464 62.539 63.200 -0.329 0.000 0.762 271 S HN 0.657 nan 8.310 nan 0.000 0.526 272 W N 1.817 123.019 121.300 -0.165 0.000 3.239 272 W HA 0.238 4.898 4.660 0.001 0.000 0.348 272 W C 1.673 178.091 176.519 -0.168 0.000 1.183 272 W CA -0.858 56.435 57.345 -0.087 0.000 1.819 272 W CB -0.116 29.370 29.460 0.044 0.000 1.091 272 W HN 0.224 nan 8.180 nan 0.000 0.629 273 R N -0.602 119.720 120.500 -0.296 0.000 2.244 273 R HA -0.269 4.072 4.340 0.001 0.000 0.252 273 R C 0.799 176.876 176.300 -0.372 0.000 1.177 273 R CA 1.709 57.521 56.100 -0.479 0.000 1.004 273 R CB -1.104 28.492 30.300 -1.174 0.000 0.873 273 R HN 0.242 nan 8.270 nan 0.000 0.469 274 Y N 1.028 121.275 120.300 -0.088 0.000 2.479 274 Y HA 0.088 4.639 4.550 0.001 0.000 0.283 274 Y C 2.305 178.220 175.900 0.025 0.000 1.109 274 Y CA 0.409 58.481 58.100 -0.047 0.000 1.239 274 Y CB 0.164 38.573 38.460 -0.085 0.000 1.108 274 Y HN 0.113 nan 8.280 nan 0.000 0.548 275 Q N -0.182 119.760 119.800 0.236 0.000 2.408 275 Q HA 0.099 4.440 4.340 0.001 0.000 0.205 275 Q C 1.875 177.964 176.000 0.148 0.000 0.919 275 Q CA 0.663 56.587 55.803 0.202 0.000 0.932 275 Q CB -0.064 28.844 28.738 0.284 0.000 1.058 275 Q HN 0.512 nan 8.270 nan 0.000 0.517 276 I N 1.568 122.227 120.570 0.148 0.000 2.179 276 I HA -0.173 3.998 4.170 0.001 0.000 0.242 276 I C -0.563 175.595 176.117 0.069 0.000 1.088 276 I CA 1.150 62.508 61.300 0.097 0.000 1.357 276 I CB -1.220 36.854 38.000 0.122 0.000 1.051 276 I HN 0.119 nan 8.210 nan 0.000 0.409 277 P HA -0.042 nan 4.420 nan 0.000 0.215 277 P C 1.576 178.923 177.300 0.078 0.000 1.157 277 P CA 1.501 64.641 63.100 0.066 0.000 0.856 277 P CB 0.006 31.752 31.700 0.076 0.000 0.786 278 A N 0.160 123.034 122.820 0.091 0.000 1.859 278 A HA -0.243 4.078 4.320 0.001 0.000 0.218 278 A C 2.238 179.876 177.584 0.091 0.000 1.209 278 A CA 1.967 54.057 52.037 0.088 0.000 0.639 278 A CB -1.841 17.212 19.000 0.087 0.000 0.835 278 A HN 0.079 nan 8.150 nan 0.000 0.450 279 L N -1.150 120.121 121.223 0.080 0.000 2.042 279 L HA -0.243 4.098 4.340 0.001 0.000 0.210 279 L C 3.147 180.116 176.870 0.165 0.000 1.076 279 L CA 1.179 56.065 54.840 0.076 0.000 0.749 279 L CB -0.822 41.230 42.059 -0.011 0.000 0.893 279 L HN 0.528 nan 8.230 nan 0.000 0.432 280 A N -0.228 122.658 122.820 0.110 0.000 1.841 280 A HA -0.319 4.002 4.320 0.001 0.000 0.216 280 A C 2.175 179.819 177.584 0.100 0.000 1.199 280 A CA 1.968 54.065 52.037 0.098 0.000 0.621 280 A CB -0.772 18.255 19.000 0.046 0.000 0.835 280 A HN 0.360 nan 8.150 nan 0.000 0.445 281 Q N -0.361 119.488 119.800 0.082 0.000 2.217 281 Q HA -0.148 4.193 4.340 0.001 0.000 0.209 281 Q C 1.827 177.880 176.000 0.088 0.000 0.988 281 Q CA 1.921 57.767 55.803 0.071 0.000 0.878 281 Q CB -0.622 28.161 28.738 0.075 0.000 0.909 281 Q HN 0.641 nan 8.270 nan 0.000 0.424 282 A N -1.356 121.554 122.820 0.149 0.000 2.239 282 A HA 0.331 4.652 4.320 0.001 0.000 0.209 282 A C 1.309 179.002 177.584 0.182 0.000 1.171 282 A CA 0.909 53.072 52.037 0.209 0.000 0.768 282 A CB -0.551 18.618 19.000 0.282 0.000 0.790 282 A HN 0.617 nan 8.150 nan 0.000 0.478 283 G N -2.761 106.070 108.800 0.053 0.000 2.145 283 G HA2 -0.178 3.783 3.960 0.001 0.000 0.176 283 G HA3 -0.178 3.783 3.960 0.001 0.000 0.176 283 G C -0.267 174.321 174.900 -0.520 0.000 1.013 283 G CA 0.069 45.029 45.100 -0.232 0.000 0.689 283 G HN 0.417 nan 8.290 nan 0.000 0.506 284 Y N -1.215 119.072 120.300 -0.023 0.000 2.662 284 Y HA 0.775 5.326 4.550 0.001 0.000 0.335 284 Y C 0.704 176.581 175.900 -0.037 0.000 1.066 284 Y CA -1.438 56.641 58.100 -0.034 0.000 1.116 284 Y CB 1.234 39.671 38.460 -0.038 0.000 1.308 284 Y HN 0.057 nan 8.280 nan 0.000 0.502 285 R N 1.416 121.988 120.500 0.120 0.000 2.332 285 R HA 0.542 4.883 4.340 0.001 0.000 0.306 285 R C -1.884 174.435 176.300 0.032 0.000 1.117 285 R CA -0.303 55.823 56.100 0.044 0.000 1.108 285 R CB 0.211 30.518 30.300 0.012 0.000 1.126 285 R HN 0.553 nan 8.270 nan 0.000 0.548 286 V N 6.117 126.043 119.914 0.020 0.000 2.508 286 V HA 0.141 4.262 4.120 0.001 0.000 0.281 286 V C 0.430 176.509 176.094 -0.024 0.000 1.041 286 V CA -0.020 62.263 62.300 -0.029 0.000 1.016 286 V CB 1.244 33.045 31.823 -0.035 0.000 0.984 286 V HN 0.618 nan 8.190 nan 0.000 0.478 287 L N 5.351 126.546 121.223 -0.046 0.000 2.408 287 L HA 0.519 4.860 4.340 0.001 0.000 0.257 287 L C 0.470 177.314 176.870 -0.044 0.000 1.053 287 L CA -0.425 54.450 54.840 0.059 0.000 0.922 287 L CB 1.172 43.268 42.059 0.062 0.000 1.261 287 L HN 0.720 nan 8.230 nan 0.000 0.458 288 A N 4.553 127.350 122.820 -0.037 0.000 2.395 288 A HA 0.501 4.821 4.320 0.001 0.000 0.286 288 A C 0.494 178.127 177.584 0.083 0.000 1.193 288 A CA -0.292 51.730 52.037 -0.026 0.000 0.852 288 A CB 0.204 19.287 19.000 0.139 0.000 1.118 288 A HN 0.544 nan 8.150 nan 0.000 0.524 289 M N 1.289 120.924 119.600 0.059 0.000 2.202 289 M HA 0.229 4.710 4.480 0.001 0.000 0.316 289 M C -0.414 176.098 176.300 0.353 0.000 1.138 289 M CA -0.153 55.192 55.300 0.074 0.000 1.151 289 M CB 0.503 33.044 32.600 -0.098 0.000 1.422 289 M HN 0.566 nan 8.290 nan 0.000 0.471 290 D N 2.217 122.806 120.400 0.315 0.000 2.438 290 D HA 0.306 4.947 4.640 0.001 0.000 0.257 290 D C -0.606 175.950 176.300 0.426 0.000 1.148 290 D CA -0.340 53.978 54.000 0.529 0.000 0.902 290 D CB 0.626 41.757 40.800 0.552 0.000 1.062 290 D HN 0.261 nan 8.370 nan 0.000 0.518 291 M N 1.233 121.089 119.600 0.426 0.000 2.251 291 M HA 0.017 4.498 4.480 0.001 0.000 0.343 291 M C 0.818 177.482 176.300 0.607 0.000 1.245 291 M CA 0.109 55.604 55.300 0.325 0.000 1.061 291 M CB -0.206 32.410 32.600 0.026 0.000 1.723 291 M HN 0.217 nan 8.290 nan 0.000 0.449 292 K N 1.449 122.149 120.400 0.499 0.000 2.476 292 K HA 0.029 4.350 4.320 0.001 0.000 0.273 292 K C 0.960 177.984 176.600 0.706 0.000 1.056 292 K CA 1.301 57.841 56.287 0.421 0.000 1.150 292 K CB -0.205 32.388 32.500 0.155 0.000 0.838 292 K HN 0.936 nan 8.250 nan 0.000 0.486 293 G N 2.830 111.929 108.800 0.498 0.000 2.218 293 G HA2 -0.233 3.728 3.960 0.001 0.000 0.216 293 G HA3 -0.233 3.728 3.960 0.001 0.000 0.216 293 G C -0.778 174.099 174.900 -0.039 0.000 0.994 293 G CA -0.029 45.280 45.100 0.348 0.000 0.637 293 G HN 0.576 nan 8.290 nan 0.000 0.505 294 Y N -0.177 120.213 120.300 0.150 0.000 2.598 294 Y HA 0.592 5.142 4.550 0.001 0.000 0.340 294 Y C 1.494 177.356 175.900 -0.062 0.000 1.038 294 Y CA 0.101 58.157 58.100 -0.074 0.000 1.100 294 Y CB 1.025 39.501 38.460 0.027 0.000 1.281 294 Y HN 0.918 nan 8.280 nan 0.000 0.488 295 G N 0.982 109.742 108.800 -0.067 0.000 2.660 295 G HA2 -0.365 3.596 3.960 0.001 0.000 0.338 295 G HA3 -0.365 3.596 3.960 0.001 0.000 0.338 295 G C 0.630 175.537 174.900 0.011 0.000 1.336 295 G CA 0.949 46.029 45.100 -0.035 0.000 0.990 295 G HN 0.790 nan 8.290 nan 0.000 0.537 296 E N 0.854 121.078 120.200 0.041 0.000 2.485 296 E HA 0.227 4.577 4.350 0.001 0.000 0.194 296 E C 0.743 177.446 176.600 0.173 0.000 1.098 296 E CA 0.312 56.718 56.400 0.011 0.000 0.878 296 E CB 0.068 29.606 29.700 -0.270 0.000 0.939 296 E HN 0.218 nan 8.360 nan 0.000 0.503 297 S N 0.657 116.486 115.700 0.214 0.000 2.646 297 S HA 0.233 4.704 4.470 0.001 0.000 0.276 297 S C 0.195 174.896 174.600 0.168 0.000 1.222 297 S CA -0.672 57.668 58.200 0.234 0.000 1.014 297 S CB 1.597 64.961 63.200 0.274 0.000 0.991 297 S HN 0.024 nan 8.310 nan 0.000 0.533 298 S N 1.587 117.374 115.700 0.145 0.000 2.568 298 S HA 0.385 4.856 4.470 0.001 0.000 0.282 298 S C 0.181 174.848 174.600 0.113 0.000 1.338 298 S CA -0.484 57.776 58.200 0.100 0.000 1.045 298 S CB 0.647 63.886 63.200 0.066 0.000 0.873 298 S HN 0.820 nan 8.310 nan 0.000 0.516 299 A N 3.840 126.723 122.820 0.104 0.000 3.258 299 A HA 0.456 4.776 4.320 0.001 0.000 0.318 299 A C -2.452 175.231 177.584 0.165 0.000 0.990 299 A CA -1.413 50.731 52.037 0.178 0.000 0.885 299 A CB -0.001 19.069 19.000 0.116 0.000 1.090 299 A HN 0.576 nan 8.150 nan 0.000 0.479 300 P HA 0.103 nan 4.420 nan 0.000 0.266 300 P C -2.002 175.403 177.300 0.176 0.000 1.195 300 P CA -0.651 62.489 63.100 0.068 0.000 0.768 300 P CB 0.992 32.665 31.700 -0.044 0.000 0.838 301 P HA -0.092 nan 4.420 nan 0.000 0.219 301 P C 0.142 177.517 177.300 0.124 0.000 1.150 301 P CA 1.014 64.178 63.100 0.106 0.000 0.814 301 P CB 0.219 31.951 31.700 0.054 0.000 0.787 302 E N -0.194 120.062 120.200 0.094 0.000 2.608 302 E HA -0.032 4.319 4.350 0.001 0.000 0.259 302 E C 1.397 178.080 176.600 0.138 0.000 0.951 302 E CA 0.258 56.699 56.400 0.067 0.000 0.945 302 E CB -0.021 29.682 29.700 0.004 0.000 0.916 302 E HN 0.176 nan 8.360 nan 0.000 0.477 303 I N 2.495 123.114 120.570 0.082 0.000 2.286 303 I HA -0.243 3.927 4.170 0.001 0.000 0.245 303 I C 1.454 177.608 176.117 0.062 0.000 1.104 303 I CA 0.862 62.216 61.300 0.090 0.000 1.397 303 I CB -0.116 37.898 38.000 0.023 0.000 1.072 303 I HN 0.501 nan 8.210 nan 0.000 0.417 304 E N 0.809 121.003 120.200 -0.011 0.000 2.160 304 E HA -0.227 4.123 4.350 0.001 0.000 0.195 304 E C 1.780 178.290 176.600 -0.150 0.000 0.991 304 E CA 0.830 57.183 56.400 -0.079 0.000 0.810 304 E CB -0.348 29.303 29.700 -0.081 0.000 0.742 304 E HN 0.352 nan 8.360 nan 0.000 0.466 305 E N -0.262 119.843 120.200 -0.158 0.000 2.463 305 E HA -0.143 4.208 4.350 0.001 0.000 0.201 305 E C 0.234 176.459 176.600 -0.625 0.000 1.045 305 E CA 0.795 56.974 56.400 -0.368 0.000 0.872 305 E CB 0.038 29.491 29.700 -0.411 0.000 0.797 305 E HN 0.521 nan 8.360 nan 0.000 0.538 306 Y N -0.757 119.332 120.300 -0.351 0.000 2.706 306 Y HA 0.107 4.658 4.550 0.001 0.000 0.255 306 Y C 0.852 176.363 175.900 -0.649 0.000 1.163 306 Y CA -0.912 56.831 58.100 -0.594 0.000 1.174 306 Y CB -0.223 37.864 38.460 -0.621 0.000 1.200 306 Y HN 0.010 nan 8.280 nan 0.000 0.544 307 C N -1.366 117.711 119.300 -0.372 0.000 2.595 307 C HA 0.240 4.701 4.460 0.001 0.000 0.384 307 C C 2.100 176.792 174.990 -0.497 0.000 1.289 307 C CA -0.775 58.022 59.018 -0.369 0.000 2.372 307 C CB 0.498 28.055 27.740 -0.305 0.000 2.593 307 C HN 0.622 nan 8.230 nan 0.000 0.639 308 M N 0.865 120.198 119.600 -0.446 0.000 2.149 308 M HA -0.095 4.386 4.480 0.001 0.000 0.261 308 M C 2.251 178.082 176.300 -0.782 0.000 1.064 308 M CA 2.036 57.068 55.300 -0.446 0.000 1.102 308 M CB -1.039 31.436 32.600 -0.207 0.000 1.369 308 M HN 0.984 nan 8.290 nan 0.000 0.408 309 E N -0.922 118.508 120.200 -1.284 0.000 2.017 309 E HA -0.179 4.172 4.350 0.001 0.000 0.193 309 E C 1.797 177.928 176.600 -0.782 0.000 0.997 309 E CA 1.881 57.251 56.400 -1.717 0.000 0.804 309 E CB -0.125 28.418 29.700 -1.928 0.000 0.757 309 E HN 0.321 nan 8.360 nan 0.000 0.448 310 V N 1.664 121.226 119.914 -0.587 0.000 2.252 310 V HA -0.312 3.809 4.120 0.001 0.000 0.249 310 V C 2.602 178.484 176.094 -0.354 0.000 1.056 310 V CA 1.884 63.945 62.300 -0.398 0.000 1.022 310 V CB -0.598 31.004 31.823 -0.369 0.000 0.641 310 V HN 0.365 nan 8.190 nan 0.000 0.445 311 L N -1.011 119.962 121.223 -0.418 0.000 2.081 311 L HA -0.270 4.071 4.340 0.001 0.000 0.212 311 L C 2.623 179.372 176.870 -0.201 0.000 1.080 311 L CA 1.740 56.369 54.840 -0.352 0.000 0.754 311 L CB -0.690 41.060 42.059 -0.515 0.000 0.893 311 L HN 0.421 nan 8.230 nan 0.000 0.433 312 C N -0.206 118.976 119.300 -0.197 0.000 2.453 312 C HA -0.126 4.335 4.460 0.001 0.000 0.277 312 C C 2.799 177.704 174.990 -0.141 0.000 1.262 312 C CA 0.612 59.593 59.018 -0.062 0.000 1.718 312 C CB -0.534 27.286 27.740 0.133 0.000 2.031 312 C HN 0.430 nan 8.230 nan 0.000 0.480 313 K N 0.711 121.021 120.400 -0.150 0.000 2.063 313 K HA -0.179 4.141 4.320 0.001 0.000 0.208 313 K C 1.780 178.291 176.600 -0.149 0.000 1.048 313 K CA 1.502 57.692 56.287 -0.162 0.000 0.928 313 K CB -0.257 32.188 32.500 -0.092 0.000 0.713 313 K HN 0.626 nan 8.250 nan 0.000 0.442 314 E N 0.037 120.164 120.200 -0.122 0.000 2.204 314 E HA -0.138 4.213 4.350 0.001 0.000 0.195 314 E C 1.862 178.460 176.600 -0.002 0.000 0.990 314 E CA 0.737 57.097 56.400 -0.067 0.000 0.821 314 E CB 0.030 29.677 29.700 -0.089 0.000 0.750 314 E HN 0.233 nan 8.360 nan 0.000 0.477 315 M N 0.125 119.715 119.600 -0.017 0.000 2.288 315 M HA -0.052 4.428 4.480 0.001 0.000 0.266 315 M C 2.312 178.674 176.300 0.104 0.000 1.072 315 M CA 0.791 56.146 55.300 0.092 0.000 1.132 315 M CB -0.350 32.316 32.600 0.109 0.000 1.386 315 M HN 0.007 nan 8.290 nan 0.000 0.432 316 V N 0.034 119.883 119.914 -0.109 0.000 2.427 316 V HA -0.208 3.913 4.120 0.001 0.000 0.248 316 V C 2.292 178.350 176.094 -0.059 0.000 1.051 316 V CA 1.882 64.075 62.300 -0.179 0.000 1.048 316 V CB -1.015 30.511 31.823 -0.495 0.000 0.666 316 V HN 0.440 nan 8.190 nan 0.000 0.456 317 T N 0.124 114.657 114.554 -0.035 0.000 2.821 317 T HA -0.153 4.197 4.350 0.001 0.000 0.267 317 T C 1.677 176.395 174.700 0.031 0.000 1.046 317 T CA 1.646 63.743 62.100 -0.005 0.000 1.139 317 T CB -0.368 68.500 68.868 0.000 0.000 0.871 317 T HN 0.451 nan 8.240 nan 0.000 0.454 318 F N 2.011 121.920 119.950 -0.068 0.000 2.095 318 F HA -0.084 4.444 4.527 0.001 0.000 0.298 318 F C 1.872 177.609 175.800 -0.105 0.000 1.104 318 F CA 1.165 59.109 58.000 -0.093 0.000 1.232 318 F CB -0.616 38.320 39.000 -0.107 0.000 0.987 318 F HN 0.057 nan 8.300 nan 0.000 0.475 319 L N -0.130 121.032 121.223 -0.101 0.000 2.017 319 L HA -0.239 4.101 4.340 0.001 0.000 0.208 319 L C 2.348 179.113 176.870 -0.175 0.000 1.073 319 L CA 1.562 56.294 54.840 -0.181 0.000 0.745 319 L CB -0.984 41.089 42.059 0.023 0.000 0.894 319 L HN 0.088 nan 8.230 nan 0.000 0.432 320 D N 0.325 120.668 120.400 -0.095 0.000 2.126 320 D HA -0.204 4.437 4.640 0.001 0.000 0.190 320 D C 2.162 178.404 176.300 -0.098 0.000 1.001 320 D CA 1.307 55.264 54.000 -0.072 0.000 0.841 320 D CB -0.168 40.607 40.800 -0.041 0.000 0.949 320 D HN 0.191 nan 8.370 nan 0.000 0.446 321 K N 0.237 120.564 120.400 -0.121 0.000 2.147 321 K HA -0.065 4.256 4.320 0.001 0.000 0.205 321 K C 2.234 178.735 176.600 -0.165 0.000 1.049 321 K CA 0.271 56.488 56.287 -0.117 0.000 0.936 321 K CB -0.375 32.067 32.500 -0.097 0.000 0.722 321 K HN 0.263 nan 8.250 nan 0.000 0.446 322 L N 0.056 121.108 121.223 -0.285 0.000 2.591 322 L HA 0.041 4.382 4.340 0.001 0.000 0.228 322 L C 0.853 177.617 176.870 -0.177 0.000 1.133 322 L CA 0.404 55.070 54.840 -0.291 0.000 0.880 322 L CB -0.131 41.599 42.059 -0.548 0.000 1.033 322 L HN 0.428 nan 8.230 nan 0.000 0.450 323 G N 0.378 109.098 108.800 -0.133 0.000 2.153 323 G HA2 -0.287 3.673 3.960 0.001 0.000 0.252 323 G HA3 -0.287 3.673 3.960 0.001 0.000 0.252 323 G C 0.126 174.980 174.900 -0.076 0.000 0.994 323 G CA -0.043 45.008 45.100 -0.083 0.000 0.698 323 G HN 0.248 nan 8.290 nan 0.000 0.521 324 L N 1.403 122.567 121.223 -0.099 0.000 2.264 324 L HA 0.432 4.772 4.340 0.001 0.000 0.289 324 L C 1.847 178.702 176.870 -0.025 0.000 1.044 324 L CA -0.120 54.679 54.840 -0.068 0.000 0.807 324 L CB 1.509 43.509 42.059 -0.099 0.000 1.192 324 L HN 0.267 nan 8.230 nan 0.000 0.425 325 S N 1.803 117.501 115.700 -0.002 0.000 2.371 325 S HA -0.000 4.470 4.470 0.001 0.000 0.224 325 S C 0.748 175.382 174.600 0.057 0.000 1.029 325 S CA 0.319 58.532 58.200 0.023 0.000 0.978 325 S CB 0.077 63.289 63.200 0.021 0.000 0.833 325 S HN 0.714 nan 8.310 nan 0.000 0.466 326 Q N 0.137 119.975 119.800 0.063 0.000 3.226 326 Q HA 0.839 5.180 4.340 0.001 0.000 0.276 326 Q C -1.302 174.773 176.000 0.125 0.000 1.029 326 Q CA -0.862 55.011 55.803 0.116 0.000 0.854 326 Q CB 2.027 30.823 28.738 0.097 0.000 1.567 326 Q HN 0.512 nan 8.270 nan 0.000 0.481 327 A N -0.139 122.781 122.820 0.167 0.000 2.606 327 A HA 0.315 4.636 4.320 0.001 0.000 0.303 327 A C -1.605 176.046 177.584 0.111 0.000 0.981 327 A CA -0.698 51.370 52.037 0.051 0.000 0.742 327 A CB 0.242 19.189 19.000 -0.088 0.000 1.229 327 A HN 0.254 nan 8.150 nan 0.000 0.401 328 V N 2.304 122.200 119.914 -0.030 0.000 2.455 328 V HA 0.438 4.558 4.120 0.001 0.000 0.273 328 V C -0.627 175.416 176.094 -0.086 0.000 1.045 328 V CA 0.338 62.667 62.300 0.050 0.000 0.976 328 V CB 0.161 31.987 31.823 0.005 0.000 0.993 328 V HN 0.594 nan 8.190 nan 0.000 0.475 329 F N 5.796 125.769 119.950 0.037 0.000 2.385 329 F HA 0.589 5.117 4.527 0.001 0.000 0.360 329 F C 0.256 176.025 175.800 -0.050 0.000 1.122 329 F CA -0.510 57.483 58.000 -0.012 0.000 1.090 329 F CB 1.104 40.106 39.000 0.005 0.000 1.150 329 F HN 0.254 nan 8.300 nan 0.000 0.472 330 I N 3.090 123.656 120.570 -0.006 0.000 2.418 330 I HA 0.612 4.783 4.170 0.001 0.000 0.287 330 I C 0.220 176.348 176.117 0.018 0.000 1.008 330 I CA -0.458 60.815 61.300 -0.045 0.000 1.104 330 I CB 1.696 39.624 38.000 -0.120 0.000 1.264 330 I HN 0.670 nan 8.210 nan 0.000 0.438 331 G N 4.241 113.114 108.800 0.121 0.000 2.533 331 G HA2 0.480 4.441 3.960 0.001 0.000 0.304 331 G HA3 0.480 4.441 3.960 0.001 0.000 0.304 331 G C -1.871 173.253 174.900 0.373 0.000 1.263 331 G CA -0.325 44.952 45.100 0.295 0.000 0.964 331 G HN 0.639 nan 8.290 nan 0.000 0.479 332 H N 0.569 119.824 119.070 0.308 0.000 2.679 332 H HA 0.445 5.002 4.556 0.001 0.000 0.360 332 H C 0.219 175.626 175.328 0.132 0.000 1.105 332 H CA 0.467 56.592 56.048 0.128 0.000 1.196 332 H CB 2.419 32.143 29.762 -0.063 0.000 1.636 332 H HN 0.777 nan 8.280 nan 0.000 0.531 333 D N 2.503 122.552 120.400 -0.586 0.000 3.798 333 D HA -0.330 4.311 4.640 0.001 0.000 0.150 333 D C 0.907 177.199 176.300 -0.014 0.000 0.953 333 D CA 2.365 56.177 54.000 -0.312 0.000 1.089 333 D CB -1.223 39.456 40.800 -0.202 0.000 0.535 333 D HN 0.673 nan 8.370 nan 0.000 0.563 334 W N 0.340 121.673 121.300 0.055 0.000 2.342 334 W HA 0.010 4.671 4.660 0.001 0.000 0.297 334 W C 2.536 179.136 176.519 0.134 0.000 1.213 334 W CA 1.367 58.757 57.345 0.075 0.000 1.251 334 W CB -0.738 28.647 29.460 -0.125 0.000 1.136 334 W HN 0.446 nan 8.180 nan 0.000 0.526 335 G N -0.055 108.922 108.800 0.295 0.000 2.440 335 G HA2 -0.257 3.704 3.960 0.001 0.000 0.218 335 G HA3 -0.257 3.704 3.960 0.001 0.000 0.218 335 G C 1.680 176.751 174.900 0.285 0.000 1.154 335 G CA 1.214 46.480 45.100 0.277 0.000 0.767 335 G HN 0.422 nan 8.290 nan 0.000 0.552 336 G N 0.378 109.309 108.800 0.217 0.000 2.418 336 G HA2 -0.189 3.772 3.960 0.001 0.000 0.217 336 G HA3 -0.189 3.772 3.960 0.001 0.000 0.217 336 G C 1.741 176.772 174.900 0.219 0.000 1.158 336 G CA 1.343 46.513 45.100 0.117 0.000 0.771 336 G HN 0.377 nan 8.290 nan 0.000 0.545 337 M N 0.443 120.278 119.600 0.391 0.000 2.117 337 M HA 0.106 4.587 4.480 0.001 0.000 0.262 337 M C 2.141 178.864 176.300 0.705 0.000 1.065 337 M CA 0.875 56.529 55.300 0.589 0.000 1.114 337 M CB -0.412 32.488 32.600 0.499 0.000 1.361 337 M HN 0.181 nan 8.290 nan 0.000 0.408 338 L N 0.115 121.709 121.223 0.619 0.000 2.046 338 L HA -0.084 4.257 4.340 0.001 0.000 0.208 338 L C 2.266 179.373 176.870 0.395 0.000 1.077 338 L CA 2.230 57.403 54.840 0.556 0.000 0.747 338 L CB -1.211 41.175 42.059 0.546 0.000 0.896 338 L HN 0.384 nan 8.230 nan 0.000 0.432 339 V N -4.323 115.732 119.914 0.234 0.000 2.809 339 V HA -0.199 3.921 4.120 0.001 0.000 0.256 339 V C 2.180 178.275 176.094 0.003 0.000 1.080 339 V CA 0.910 63.246 62.300 0.060 0.000 1.102 339 V CB -1.212 30.596 31.823 -0.025 0.000 0.705 339 V HN 0.450 nan 8.190 nan 0.000 0.475 340 W N -0.792 120.587 121.300 0.132 0.000 2.418 340 W HA 0.038 4.698 4.660 0.001 0.000 0.292 340 W C 2.323 178.701 176.519 -0.235 0.000 1.213 340 W CA 0.671 57.953 57.345 -0.104 0.000 1.283 340 W CB -0.213 29.196 29.460 -0.084 0.000 1.119 340 W HN 0.235 nan 8.180 nan 0.000 0.542 341 Y N -0.861 119.707 120.300 0.446 0.000 2.516 341 Y HA -0.137 4.414 4.550 0.001 0.000 0.291 341 Y C 2.422 178.600 175.900 0.464 0.000 1.131 341 Y CA 0.618 59.003 58.100 0.474 0.000 1.281 341 Y CB -0.273 38.549 38.460 0.604 0.000 1.013 341 Y HN -0.125 nan 8.280 nan 0.000 0.554 342 M N -1.057 118.768 119.600 0.375 0.000 2.254 342 M HA -0.039 4.442 4.480 0.001 0.000 0.265 342 M C 2.267 178.663 176.300 0.160 0.000 1.066 342 M CA 1.138 56.573 55.300 0.225 0.000 1.123 342 M CB -0.988 31.509 32.600 -0.172 0.000 1.388 342 M HN 0.280 nan 8.290 nan 0.000 0.425 343 A N -0.591 122.291 122.820 0.104 0.000 2.072 343 A HA 0.053 4.373 4.320 0.001 0.000 0.216 343 A C 2.126 179.709 177.584 -0.001 0.000 1.156 343 A CA 0.657 52.734 52.037 0.068 0.000 0.701 343 A CB -0.449 18.616 19.000 0.109 0.000 0.816 343 A HN 0.440 nan 8.150 nan 0.000 0.458 344 L N -2.543 118.658 121.223 -0.037 0.000 2.446 344 L HA 0.150 4.491 4.340 0.001 0.000 0.219 344 L C 1.428 178.019 176.870 -0.465 0.000 1.116 344 L CA 0.649 55.330 54.840 -0.266 0.000 0.844 344 L CB 0.020 41.846 42.059 -0.388 0.000 0.970 344 L HN 0.440 nan 8.230 nan 0.000 0.457 345 F N -2.888 116.953 119.950 -0.182 0.000 2.789 345 F HA 0.144 4.671 4.527 0.001 0.000 0.320 345 F C 0.300 175.668 175.800 -0.720 0.000 1.079 345 F CA -0.178 57.564 58.000 -0.430 0.000 1.205 345 F CB 0.667 39.416 39.000 -0.420 0.000 1.046 345 F HN -0.134 nan 8.300 nan 0.000 0.586 346 Y N -0.957 119.443 120.300 0.166 0.000 2.658 346 Y HA 0.298 4.848 4.550 0.001 0.000 0.273 346 Y C -2.043 173.879 175.900 0.037 0.000 0.992 346 Y CA -1.877 56.278 58.100 0.091 0.000 1.105 346 Y CB -0.205 38.299 38.460 0.072 0.000 1.188 346 Y HN -0.115 nan 8.280 nan 0.000 0.616 347 P HA -0.278 nan 4.420 nan 0.000 0.218 347 P C 1.553 178.912 177.300 0.099 0.000 1.152 347 P CA 1.800 64.946 63.100 0.076 0.000 0.857 347 P CB 0.389 32.105 31.700 0.028 0.000 0.787 348 E N -0.649 119.616 120.200 0.107 0.000 2.118 348 E HA -0.233 4.118 4.350 0.001 0.000 0.195 348 E C 1.662 178.333 176.600 0.118 0.000 0.992 348 E CA 0.994 57.456 56.400 0.104 0.000 0.804 348 E CB 0.034 29.799 29.700 0.109 0.000 0.741 348 E HN 0.094 nan 8.360 nan 0.000 0.458 349 R N -0.286 120.303 120.500 0.149 0.000 2.280 349 R HA 0.126 4.467 4.340 0.001 0.000 0.195 349 R C 0.135 176.555 176.300 0.200 0.000 0.935 349 R CA 0.146 56.337 56.100 0.152 0.000 1.033 349 R CB 0.443 30.820 30.300 0.129 0.000 0.964 349 R HN -0.003 nan 8.270 nan 0.000 0.489 350 V N 2.961 122.973 119.914 0.164 0.000 2.348 350 V HA 0.162 4.282 4.120 0.001 0.000 0.270 350 V C 1.397 177.608 176.094 0.195 0.000 1.037 350 V CA -0.471 61.963 62.300 0.223 0.000 0.872 350 V CB 1.521 33.417 31.823 0.122 0.000 1.002 350 V HN 0.036 nan 8.190 nan 0.000 0.464 351 R N 4.554 125.176 120.500 0.204 0.000 2.092 351 R HA 0.201 4.541 4.340 0.001 0.000 0.231 351 R C 0.514 176.884 176.300 0.115 0.000 1.119 351 R CA 1.560 57.733 56.100 0.121 0.000 0.970 351 R CB 0.049 30.398 30.300 0.082 0.000 0.864 351 R HN 0.839 nan 8.270 nan 0.000 0.440 352 A N -1.396 121.530 122.820 0.177 0.000 2.608 352 A HA 0.588 4.908 4.320 0.001 0.000 0.292 352 A C -1.755 176.041 177.584 0.353 0.000 1.066 352 A CA -0.345 51.835 52.037 0.238 0.000 0.676 352 A CB 1.468 20.515 19.000 0.078 0.000 1.277 352 A HN 0.053 nan 8.150 nan 0.000 0.413 353 V N 0.093 120.238 119.914 0.386 0.000 2.735 353 V HA 0.926 5.046 4.120 0.001 0.000 0.310 353 V C -0.359 175.708 176.094 -0.046 0.000 1.061 353 V CA 0.276 62.659 62.300 0.139 0.000 0.913 353 V CB 1.657 33.448 31.823 -0.053 0.000 1.005 353 V HN 2.325 nan 8.190 nan 0.000 0.428 354 A N 4.066 126.706 122.820 -0.300 0.000 2.488 354 A HA 0.847 5.168 4.320 0.001 0.000 0.298 354 A C -0.862 176.472 177.584 -0.417 0.000 1.044 354 A CA -0.181 51.546 52.037 -0.517 0.000 0.693 354 A CB 2.088 20.684 19.000 -0.673 0.000 1.272 354 A HN 1.206 nan 8.150 nan 0.000 0.402 355 S N 1.467 116.967 115.700 -0.334 0.000 2.542 355 S HA 0.812 5.283 4.470 0.001 0.000 0.293 355 S C -1.254 173.366 174.600 0.034 0.000 1.089 355 S CA -0.518 57.597 58.200 -0.141 0.000 0.961 355 S CB 0.831 63.966 63.200 -0.108 0.000 1.062 355 S HN 0.677 nan 8.310 nan 0.000 0.483 356 L N 4.304 125.596 121.223 0.115 0.000 2.325 356 L HA 0.519 4.860 4.340 0.001 0.000 0.281 356 L C 0.428 177.389 176.870 0.153 0.000 1.004 356 L CA -0.602 54.321 54.840 0.139 0.000 0.823 356 L CB 1.386 43.550 42.059 0.175 0.000 1.236 356 L HN 0.965 nan 8.230 nan 0.000 0.415 357 N N -0.180 118.583 118.700 0.105 0.000 1.771 357 N HA -0.202 4.539 4.740 0.001 0.000 0.215 357 N C 0.192 175.761 175.510 0.098 0.000 0.901 357 N CA 2.273 55.365 53.050 0.069 0.000 4.070 357 N CB -1.124 37.367 38.487 0.005 0.000 0.698 357 N HN 0.662 nan 8.380 nan 0.000 0.274 358 T N 3.767 118.388 114.554 0.113 0.000 2.769 358 T HA 0.348 4.698 4.350 0.001 0.000 0.293 358 T C -2.452 172.454 174.700 0.343 0.000 0.931 358 T CA -0.614 61.596 62.100 0.184 0.000 1.139 358 T CB 1.342 70.316 68.868 0.177 0.000 0.881 358 T HN 0.196 nan 8.240 nan 0.000 0.532 359 P HA 0.348 nan 4.420 nan 0.000 0.287 359 P C -0.828 176.493 177.300 0.035 0.000 1.270 359 P CA -0.862 62.339 63.100 0.169 0.000 0.844 359 P CB 0.866 32.610 31.700 0.073 0.000 1.068 360 F N 3.966 123.627 119.950 -0.481 0.000 2.424 360 F HA 0.448 4.976 4.527 0.001 0.000 0.356 360 F C -0.434 175.111 175.800 -0.425 0.000 1.110 360 F CA -0.782 56.783 58.000 -0.725 0.000 1.161 360 F CB -0.001 38.150 39.000 -1.414 0.000 1.115 360 F HN 0.098 nan 8.300 nan 0.000 0.507 361 I N 8.794 128.739 120.570 -1.043 0.000 2.493 361 I HA 0.244 4.415 4.170 0.001 0.000 0.279 361 I C -2.203 173.265 176.117 -1.082 0.000 1.045 361 I CA -2.025 58.735 61.300 -0.901 0.000 1.106 361 I CB 1.465 39.250 38.000 -0.358 0.000 1.216 361 I HN 0.448 nan 8.210 nan 0.000 0.459 362 P HA -0.021 nan 4.420 nan 0.000 0.263 362 P C -0.007 177.006 177.300 -0.479 0.000 1.175 362 P CA 0.014 62.416 63.100 -1.163 0.000 0.761 362 P CB 0.759 31.350 31.700 -1.849 0.000 0.794 363 A N 3.674 126.392 122.820 -0.169 0.000 2.483 363 A HA 0.052 4.373 4.320 0.001 0.000 0.238 363 A C 0.794 178.448 177.584 0.116 0.000 1.070 363 A CA -0.296 51.793 52.037 0.088 0.000 0.770 363 A CB -0.222 18.968 19.000 0.316 0.000 1.008 363 A HN 0.680 nan 8.150 nan 0.000 0.497 364 N N 2.299 121.110 118.700 0.184 0.000 2.411 364 N HA 0.180 4.921 4.740 0.001 0.000 0.259 364 N C -1.935 173.802 175.510 0.378 0.000 1.103 364 N CA -1.800 51.356 53.050 0.177 0.000 0.954 364 N CB 1.200 39.734 38.487 0.077 0.000 1.085 364 N HN 0.193 nan 8.380 nan 0.000 0.485 365 P HA -0.118 nan 4.420 nan 0.000 0.216 365 P C 0.558 178.085 177.300 0.378 0.000 1.150 365 P CA 1.288 64.561 63.100 0.290 0.000 0.843 365 P CB 0.441 32.229 31.700 0.147 0.000 0.787 366 N N -0.766 118.080 118.700 0.244 0.000 2.272 366 N HA 0.002 4.743 4.740 0.001 0.000 0.195 366 N C 1.024 176.597 175.510 0.104 0.000 1.048 366 N CA 0.355 53.508 53.050 0.173 0.000 0.912 366 N CB -0.983 37.559 38.487 0.092 0.000 1.096 366 N HN 0.140 nan 8.380 nan 0.000 0.471 367 M N 2.375 121.980 119.600 0.009 0.000 2.249 367 M HA -0.004 4.476 4.480 0.001 0.000 0.340 367 M C 0.180 176.264 176.300 -0.360 0.000 1.166 367 M CA -0.027 55.201 55.300 -0.121 0.000 1.115 367 M CB 0.514 33.061 32.600 -0.088 0.000 1.606 367 M HN 0.243 nan 8.290 nan 0.000 0.448 368 S N 4.405 119.786 115.700 -0.530 0.000 2.646 368 S HA 0.461 4.932 4.470 0.001 0.000 0.276 368 S C -2.278 171.957 174.600 -0.608 0.000 1.222 368 S CA -1.316 56.298 58.200 -0.977 0.000 1.014 368 S CB 0.943 63.681 63.200 -0.769 0.000 0.991 368 S HN 0.548 nan 8.310 nan 0.000 0.533 369 P HA -0.149 nan 4.420 nan 0.000 0.212 369 P C 1.645 178.825 177.300 -0.199 0.000 1.178 369 P CA 1.214 64.138 63.100 -0.293 0.000 0.915 369 P CB -0.174 31.419 31.700 -0.178 0.000 0.788 370 L N -0.580 120.540 121.223 -0.173 0.000 2.030 370 L HA -0.306 4.035 4.340 0.001 0.000 0.222 370 L C 2.419 179.223 176.870 -0.110 0.000 1.082 370 L CA 1.959 56.728 54.840 -0.117 0.000 0.785 370 L CB -1.266 40.733 42.059 -0.100 0.000 0.895 370 L HN 0.105 nan 8.230 nan 0.000 0.439 371 E N -0.347 119.771 120.200 -0.136 0.000 2.038 371 E HA -0.187 4.164 4.350 0.001 0.000 0.195 371 E C 2.286 178.838 176.600 -0.081 0.000 1.000 371 E CA 1.587 57.924 56.400 -0.104 0.000 0.803 371 E CB -0.171 29.456 29.700 -0.122 0.000 0.750 371 E HN 0.387 nan 8.360 nan 0.000 0.448 372 S N 0.962 116.601 115.700 -0.101 0.000 2.359 372 S HA -0.199 4.272 4.470 0.001 0.000 0.223 372 S C 2.088 176.686 174.600 -0.003 0.000 1.039 372 S CA 1.226 59.393 58.200 -0.055 0.000 1.042 372 S CB -0.312 62.843 63.200 -0.075 0.000 0.915 372 S HN 0.110 nan 8.310 nan 0.000 0.439 373 I N 1.882 122.434 120.570 -0.031 0.000 2.194 373 I HA -0.225 3.946 4.170 0.001 0.000 0.246 373 I C 2.202 178.354 176.117 0.058 0.000 1.093 373 I CA 1.463 62.776 61.300 0.021 0.000 1.355 373 I CB -0.399 37.542 38.000 -0.099 0.000 1.046 373 I HN 0.199 nan 8.210 nan 0.000 0.413 374 K N 0.426 120.825 120.400 -0.002 0.000 2.281 374 K HA -0.025 4.296 4.320 0.001 0.000 0.203 374 K C 1.350 177.953 176.600 0.005 0.000 1.046 374 K CA 1.140 57.423 56.287 -0.006 0.000 0.938 374 K CB -0.270 32.215 32.500 -0.025 0.000 0.737 374 K HN 0.336 nan 8.250 nan 0.000 0.458 375 A N 1.968 124.797 122.820 0.016 0.000 2.929 375 A HA 0.098 4.418 4.320 0.001 0.000 0.279 375 A C -0.203 177.393 177.584 0.021 0.000 1.418 375 A CA -0.165 51.879 52.037 0.011 0.000 1.035 375 A CB -0.412 18.591 19.000 0.006 0.000 1.047 375 A HN 0.234 nan 8.150 nan 0.000 0.609 376 N N -0.542 118.167 118.700 0.016 0.000 3.357 376 N HA 0.188 4.929 4.740 0.001 0.000 0.206 376 N C -2.693 172.763 175.510 -0.090 0.000 1.458 376 N CA -0.886 52.138 53.050 -0.045 0.000 0.776 376 N CB 0.799 39.277 38.487 -0.016 0.000 1.626 376 N HN -0.152 nan 8.380 nan 0.000 0.644 377 P HA -0.247 nan 4.420 nan 0.000 0.221 377 P C 1.330 178.495 177.300 -0.225 0.000 1.151 377 P CA 0.894 63.896 63.100 -0.162 0.000 0.843 377 P CB 0.515 32.093 31.700 -0.204 0.000 0.778 378 V N -2.122 117.620 119.914 -0.287 0.000 2.591 378 V HA -0.151 3.970 4.120 0.001 0.000 0.249 378 V C 1.618 177.702 176.094 -0.017 0.000 1.053 378 V CA 1.476 63.618 62.300 -0.263 0.000 1.068 378 V CB -0.959 30.640 31.823 -0.372 0.000 0.689 378 V HN -0.068 nan 8.190 nan 0.000 0.462 379 F N 0.996 120.956 119.950 0.016 0.000 2.802 379 F HA 0.072 4.599 4.527 0.001 0.000 0.300 379 F C 1.909 177.612 175.800 -0.163 0.000 1.168 379 F CA 0.722 58.717 58.000 -0.008 0.000 1.433 379 F CB -1.081 37.882 39.000 -0.061 0.000 1.115 379 F HN 0.398 nan 8.300 nan 0.000 0.582 380 D N 0.262 120.699 120.400 0.061 0.000 2.133 380 D HA -0.339 4.302 4.640 0.001 0.000 0.192 380 D C 2.305 178.530 176.300 -0.124 0.000 1.001 380 D CA 2.033 56.015 54.000 -0.030 0.000 0.844 380 D CB -0.545 40.242 40.800 -0.022 0.000 0.944 380 D HN 0.465 nan 8.370 nan 0.000 0.447 381 Y N 0.456 120.644 120.300 -0.187 0.000 2.219 381 Y HA -0.303 4.248 4.550 0.001 0.000 0.283 381 Y C 2.049 177.565 175.900 -0.640 0.000 1.191 381 Y CA 1.977 59.843 58.100 -0.389 0.000 1.199 381 Y CB -0.910 37.312 38.460 -0.396 0.000 0.972 381 Y HN 0.166 nan 8.280 nan 0.000 0.527 382 Q N 0.607 119.540 119.800 -1.445 0.000 2.167 382 Q HA -0.069 4.271 4.340 0.001 0.000 0.202 382 Q C 2.350 178.066 176.000 -0.475 0.000 0.970 382 Q CA 1.638 56.739 55.803 -1.170 0.000 0.855 382 Q CB -0.199 28.082 28.738 -0.762 0.000 0.911 382 Q HN 0.589 nan 8.270 nan 0.000 0.438 383 L N -0.329 120.710 121.223 -0.307 0.000 1.994 383 L HA -0.208 4.133 4.340 0.001 0.000 0.208 383 L C 2.397 179.222 176.870 -0.075 0.000 1.071 383 L CA 1.328 56.089 54.840 -0.133 0.000 0.745 383 L CB -0.712 41.299 42.059 -0.080 0.000 0.892 383 L HN 0.230 nan 8.230 nan 0.000 0.431 384 Y N -0.230 119.944 120.300 -0.211 0.000 2.651 384 Y HA -0.201 4.349 4.550 0.001 0.000 0.293 384 Y C 1.796 177.735 175.900 0.064 0.000 1.151 384 Y CA 0.816 58.850 58.100 -0.109 0.000 1.362 384 Y CB -0.129 38.242 38.460 -0.149 0.000 0.973 384 Y HN 0.035 nan 8.280 nan 0.000 0.561 385 F N -0.226 119.535 119.950 -0.315 0.000 2.749 385 F HA 0.039 4.567 4.527 0.001 0.000 0.300 385 F C 1.866 177.532 175.800 -0.223 0.000 1.103 385 F CA -0.076 57.711 58.000 -0.355 0.000 1.342 385 F CB -0.303 38.442 39.000 -0.425 0.000 1.098 385 F HN 0.135 nan 8.300 nan 0.000 0.586 386 Q N 0.400 120.203 119.800 0.005 0.000 1.994 386 Q HA -0.144 4.197 4.340 0.001 0.000 0.198 386 Q C 0.765 176.747 176.000 -0.029 0.000 0.976 386 Q CA 0.741 56.543 55.803 -0.002 0.000 0.828 386 Q CB -0.736 27.997 28.738 -0.008 0.000 0.894 386 Q HN 0.191 nan 8.270 nan 0.000 0.432 387 E N 2.903 123.070 120.200 -0.054 0.000 2.463 387 E HA 0.045 4.395 4.350 0.001 0.000 0.248 387 E C -2.355 174.205 176.600 -0.066 0.000 1.106 387 E CA -1.660 54.710 56.400 -0.051 0.000 0.946 387 E CB 0.287 29.957 29.700 -0.050 0.000 0.971 387 E HN -0.044 nan 8.360 nan 0.000 0.478 388 P HA 0.027 nan 4.420 nan 0.000 0.264 388 P C 0.733 178.008 177.300 -0.042 0.000 1.183 388 P CA 1.241 64.317 63.100 -0.041 0.000 0.763 388 P CB 0.860 32.546 31.700 -0.022 0.000 0.807 389 G N 1.202 109.975 108.800 -0.046 0.000 2.812 389 G HA2 -0.346 3.615 3.960 0.001 0.000 0.219 389 G HA3 -0.346 3.615 3.960 0.001 0.000 0.219 389 G C 1.121 175.988 174.900 -0.054 0.000 1.275 389 G CA 0.247 45.327 45.100 -0.034 0.000 0.769 389 G HN 0.362 nan 8.290 nan 0.000 0.527 390 V N 1.921 121.790 119.914 -0.076 0.000 2.215 390 V HA -0.087 4.033 4.120 0.001 0.000 0.249 390 V C 3.412 179.419 176.094 -0.144 0.000 1.054 390 V CA 3.870 66.115 62.300 -0.092 0.000 1.012 390 V CB -1.537 30.209 31.823 -0.129 0.000 0.639 390 V HN 1.399 nan 8.190 nan 0.000 0.448 391 A N -0.540 122.098 122.820 -0.303 0.000 1.908 391 A HA -0.265 4.056 4.320 0.001 0.000 0.218 391 A C 2.082 179.562 177.584 -0.174 0.000 1.181 391 A CA 2.141 53.989 52.037 -0.315 0.000 0.627 391 A CB -0.635 18.142 19.000 -0.371 0.000 0.818 391 A HN 0.627 nan 8.150 nan 0.000 0.445 392 E N 0.106 120.235 120.200 -0.119 0.000 2.049 392 E HA -0.148 4.203 4.350 0.001 0.000 0.198 392 E C 2.286 178.860 176.600 -0.044 0.000 1.007 392 E CA 1.609 57.986 56.400 -0.039 0.000 0.809 392 E CB -0.539 29.170 29.700 0.016 0.000 0.749 392 E HN 0.594 nan 8.360 nan 0.000 0.450 393 A N 0.820 123.622 122.820 -0.031 0.000 1.917 393 A HA -0.342 3.979 4.320 0.001 0.000 0.219 393 A C 2.206 179.778 177.584 -0.020 0.000 1.182 393 A CA 2.098 54.129 52.037 -0.010 0.000 0.633 393 A CB -0.633 18.368 19.000 0.002 0.000 0.819 393 A HN 0.371 nan 8.150 nan 0.000 0.448 394 E N -0.328 119.848 120.200 -0.041 0.000 2.046 394 E HA -0.108 4.242 4.350 0.001 0.000 0.190 394 E C 1.999 178.537 176.600 -0.103 0.000 0.982 394 E CA 0.910 57.279 56.400 -0.051 0.000 0.800 394 E CB -0.222 29.434 29.700 -0.072 0.000 0.756 394 E HN 0.599 nan 8.360 nan 0.000 0.449 395 L N 0.664 121.724 121.223 -0.272 0.000 2.083 395 L HA -0.165 4.175 4.340 0.001 0.000 0.209 395 L C 2.367 178.985 176.870 -0.420 0.000 1.083 395 L CA 1.404 55.918 54.840 -0.544 0.000 0.752 395 L CB -0.275 41.059 42.059 -1.208 0.000 0.899 395 L HN 0.195 nan 8.230 nan 0.000 0.433 396 E N -0.752 119.346 120.200 -0.169 0.000 2.285 396 E HA -0.216 4.135 4.350 0.001 0.000 0.194 396 E C 1.980 178.606 176.600 0.043 0.000 0.997 396 E CA 0.247 56.680 56.400 0.054 0.000 0.845 396 E CB 0.118 29.900 29.700 0.136 0.000 0.782 396 E HN 0.299 nan 8.360 nan 0.000 0.491 397 Q N 1.360 121.169 119.800 0.015 0.000 2.082 397 Q HA -0.181 4.160 4.340 0.001 0.000 0.211 397 Q C 0.474 176.491 176.000 0.028 0.000 1.002 397 Q CA 1.415 57.236 55.803 0.030 0.000 0.868 397 Q CB 0.075 28.838 28.738 0.041 0.000 0.931 397 Q HN 0.017 nan 8.270 nan 0.000 0.414 398 N N -0.871 117.835 118.700 0.011 0.000 2.725 398 N HA 0.084 4.825 4.740 0.001 0.000 0.248 398 N C 0.079 175.564 175.510 -0.043 0.000 1.402 398 N CA -0.028 53.016 53.050 -0.011 0.000 0.766 398 N CB 0.214 38.678 38.487 -0.039 0.000 1.223 398 N HN 0.251 nan 8.380 nan 0.000 0.515 399 L N 0.263 121.502 121.223 0.027 0.000 2.010 399 L HA -0.275 4.066 4.340 0.001 0.000 0.219 399 L C 2.277 179.189 176.870 0.069 0.000 1.077 399 L CA 1.649 56.535 54.840 0.078 0.000 0.773 399 L CB -0.628 41.599 42.059 0.281 0.000 0.892 399 L HN 0.412 nan 8.230 nan 0.000 0.436 400 S N -0.465 115.278 115.700 0.072 0.000 2.359 400 S HA -0.273 4.198 4.470 0.001 0.000 0.223 400 S C 2.215 176.768 174.600 -0.079 0.000 1.039 400 S CA 1.788 60.015 58.200 0.045 0.000 1.042 400 S CB -0.252 62.958 63.200 0.017 0.000 0.915 400 S HN 0.351 nan 8.310 nan 0.000 0.439 401 R N -0.207 120.201 120.500 -0.154 0.000 2.096 401 R HA -0.082 4.259 4.340 0.001 0.000 0.235 401 R C 2.185 178.192 176.300 -0.487 0.000 1.127 401 R CA 1.877 57.808 56.100 -0.282 0.000 0.968 401 R CB -0.929 29.206 30.300 -0.274 0.000 0.861 401 R HN 0.433 nan 8.270 nan 0.000 0.440 402 T N 0.695 114.951 114.554 -0.497 0.000 2.684 402 T HA -0.141 4.209 4.350 0.001 0.000 0.267 402 T C 1.381 175.609 174.700 -0.787 0.000 1.036 402 T CA 1.745 63.455 62.100 -0.650 0.000 1.148 402 T CB -0.266 68.218 68.868 -0.641 0.000 0.863 402 T HN 0.184 nan 8.240 nan 0.000 0.436 403 F N 1.243 120.893 119.950 -0.501 0.000 2.293 403 F HA 0.175 4.702 4.527 0.001 0.000 0.297 403 F C 2.314 177.661 175.800 -0.755 0.000 1.089 403 F CA 0.542 58.020 58.000 -0.870 0.000 1.377 403 F CB -0.294 38.226 39.000 -0.800 0.000 1.051 403 F HN 0.035 nan 8.300 nan 0.000 0.511 404 K N -0.360 119.860 120.400 -0.300 0.000 2.217 404 K HA -0.051 4.269 4.320 0.001 0.000 0.202 404 K C 2.114 178.569 176.600 -0.242 0.000 1.051 404 K CA 1.292 57.450 56.287 -0.214 0.000 0.952 404 K CB -0.256 32.157 32.500 -0.145 0.000 0.736 404 K HN 0.116 nan 8.250 nan 0.000 0.453 405 S N 1.289 116.780 115.700 -0.349 0.000 2.395 405 S HA 0.010 4.481 4.470 0.001 0.000 0.225 405 S C 1.903 176.405 174.600 -0.164 0.000 1.027 405 S CA 0.723 58.739 58.200 -0.308 0.000 0.965 405 S CB -0.028 62.816 63.200 -0.593 0.000 0.812 405 S HN 0.154 nan 8.310 nan 0.000 0.482 406 L N 0.123 121.193 121.223 -0.254 0.000 2.013 406 L HA 0.090 4.431 4.340 0.001 0.000 0.204 406 L C 0.199 176.999 176.870 -0.118 0.000 1.081 406 L CA 0.572 55.356 54.840 -0.094 0.000 0.751 406 L CB -0.538 41.342 42.059 -0.298 0.000 0.901 406 L HN 0.232 nan 8.230 nan 0.000 0.440 407 F N 2.704 122.271 119.950 -0.639 0.000 2.574 407 F HA 0.123 4.650 4.527 0.001 0.000 0.332 407 F C 0.520 176.123 175.800 -0.328 0.000 1.289 407 F CA 0.207 57.656 58.000 -0.919 0.000 1.029 407 F CB -1.440 37.094 39.000 -0.777 0.000 1.346 407 F HN 0.098 nan 8.300 nan 0.000 0.647 408 R N 0.689 121.272 120.500 0.138 0.000 2.740 408 R HA 0.758 5.098 4.340 0.001 0.000 0.273 408 R C -0.279 176.192 176.300 0.285 0.000 0.998 408 R CA -1.230 54.980 56.100 0.184 0.000 0.900 408 R CB 1.832 32.219 30.300 0.145 0.000 1.223 408 R HN 0.437 nan 8.270 nan 0.000 0.466 409 A N 0.749 123.678 122.820 0.181 0.000 2.409 409 A HA 0.078 4.399 4.320 0.001 0.000 0.246 409 A C 1.316 179.017 177.584 0.196 0.000 1.099 409 A CA 0.398 52.535 52.037 0.167 0.000 0.789 409 A CB 0.127 19.186 19.000 0.099 0.000 1.053 409 A HN 0.918 nan 8.150 nan 0.000 0.503 410 S N -0.509 115.300 115.700 0.181 0.000 2.402 410 S HA -0.191 4.279 4.470 0.001 0.000 0.229 410 S C 1.079 175.817 174.600 0.229 0.000 1.021 410 S CA 1.587 59.940 58.200 0.255 0.000 0.974 410 S CB -0.670 62.673 63.200 0.240 0.000 0.800 410 S HN 0.873 nan 8.310 nan 0.000 0.484 411 D N 1.121 121.610 120.400 0.149 0.000 2.317 411 D HA -0.039 4.602 4.640 0.001 0.000 0.211 411 D C 1.630 177.975 176.300 0.074 0.000 0.966 411 D CA 0.719 54.779 54.000 0.100 0.000 0.876 411 D CB -0.370 40.473 40.800 0.072 0.000 0.927 411 D HN 0.603 nan 8.370 nan 0.000 0.519 412 E N 0.248 120.500 120.200 0.087 0.000 2.170 412 E HA -0.025 4.326 4.350 0.001 0.000 0.191 412 E C 0.724 177.361 176.600 0.062 0.000 0.981 412 E CA 0.448 56.887 56.400 0.065 0.000 0.830 412 E CB 0.012 29.752 29.700 0.067 0.000 0.775 412 E HN 0.202 nan 8.360 nan 0.000 0.470 416 L N 3.090 124.346 121.223 0.055 0.000 2.415 416 L HA 0.687 5.028 4.340 0.001 0.000 0.268 416 L C 0.489 177.395 176.870 0.060 0.000 0.984 416 L CA -0.288 54.603 54.840 0.086 0.000 0.853 416 L CB 2.206 44.353 42.059 0.147 0.000 1.215 416 L HN 0.445 nan 8.230 nan 0.000 0.419 417 S N 2.129 117.851 115.700 0.037 0.000 2.560 417 S HA 0.198 4.668 4.470 0.001 0.000 0.284 417 S C 0.344 174.969 174.600 0.042 0.000 1.327 417 S CA -0.406 57.806 58.200 0.021 0.000 1.055 417 S CB 1.822 65.017 63.200 -0.008 0.000 0.868 417 S HN 0.710 nan 8.310 nan 0.000 0.506 418 M N 0.719 120.371 119.600 0.088 0.000 2.296 418 M HA 0.303 4.784 4.480 0.001 0.000 0.291 418 M C 1.003 177.346 176.300 0.073 0.000 1.013 418 M CA 0.658 55.991 55.300 0.056 0.000 1.089 418 M CB -0.193 32.416 32.600 0.015 0.000 1.677 418 M HN 0.939 nan 8.290 nan 0.000 0.584 419 H N 0.551 119.595 119.070 -0.043 0.000 2.419 419 H HA 0.057 4.614 4.556 0.001 0.000 0.297 419 H C 0.223 175.524 175.328 -0.044 0.000 1.044 419 H CA 1.483 57.506 56.048 -0.042 0.000 1.178 419 H CB -0.073 29.660 29.762 -0.049 0.000 1.407 419 H HN -0.116 nan 8.280 nan 0.000 0.574 420 K N 1.761 122.224 120.400 0.106 0.000 2.184 420 K HA 0.135 4.455 4.320 0.001 0.000 0.259 420 K C 0.344 176.914 176.600 -0.049 0.000 1.119 420 K CA 0.019 56.313 56.287 0.012 0.000 0.991 420 K CB 0.887 33.389 32.500 0.004 0.000 1.522 420 K HN 0.115 nan 8.250 nan 0.000 0.405 421 V N -0.046 119.817 119.914 -0.086 0.000 2.521 421 V HA -0.144 3.977 4.120 0.001 0.000 0.239 421 V C 2.236 178.166 176.094 -0.274 0.000 1.053 421 V CA 0.641 62.818 62.300 -0.204 0.000 1.073 421 V CB -0.128 31.569 31.823 -0.211 0.000 0.746 421 V HN 0.693 nan 8.190 nan 0.000 0.476 422 C N 0.554 119.762 119.300 -0.155 0.000 2.413 422 C HA -0.186 4.275 4.460 0.001 0.000 0.277 422 C C 2.852 177.798 174.990 -0.075 0.000 1.265 422 C CA 2.020 60.993 59.018 -0.076 0.000 1.752 422 C CB -0.680 27.060 27.740 0.000 0.000 1.998 422 C HN 0.746 nan 8.230 nan 0.000 0.489 423 E N 0.376 120.535 120.200 -0.069 0.000 2.031 423 E HA -0.166 4.185 4.350 0.001 0.000 0.193 423 E C 2.081 178.640 176.600 -0.069 0.000 0.994 423 E CA 1.452 57.821 56.400 -0.052 0.000 0.800 423 E CB -0.289 29.388 29.700 -0.038 0.000 0.752 423 E HN 0.600 nan 8.360 nan 0.000 0.447 424 A N 0.038 122.798 122.820 -0.100 0.000 2.172 424 A HA 0.085 4.406 4.320 0.001 0.000 0.216 424 A C 1.930 179.436 177.584 -0.131 0.000 1.154 424 A CA 1.315 53.289 52.037 -0.105 0.000 0.701 424 A CB -0.804 18.127 19.000 -0.114 0.000 0.789 424 A HN 0.617 nan 8.150 nan 0.000 0.465 425 G N -2.770 105.930 108.800 -0.168 0.000 2.189 425 G HA2 0.110 4.071 3.960 0.001 0.000 0.267 425 G HA3 0.110 4.071 3.960 0.001 0.000 0.267 425 G C 0.701 175.438 174.900 -0.271 0.000 0.975 425 G CA 0.558 45.570 45.100 -0.146 0.000 0.644 425 G HN 1.961 nan 8.290 nan 0.000 0.537 426 G N -2.109 106.416 108.800 -0.460 0.000 2.667 426 G HA2 0.610 4.570 3.960 0.001 0.000 0.294 426 G HA3 0.610 4.570 3.960 0.001 0.000 0.294 426 G C 0.187 174.766 174.900 -0.535 0.000 1.467 426 G CA 0.103 44.881 45.100 -0.536 0.000 0.852 426 G HN 0.938 nan 8.290 nan 0.000 0.521 427 L N 0.322 121.207 121.223 -0.563 0.000 2.240 427 L HA 0.430 4.771 4.340 0.001 0.000 0.211 427 L C 1.588 178.367 176.870 -0.152 0.000 1.106 427 L CA 1.486 56.080 54.840 -0.410 0.000 0.793 427 L CB -0.354 41.430 42.059 -0.458 0.000 0.927 427 L HN 0.596 nan 8.230 nan 0.000 0.446 428 F N -3.521 116.386 119.950 -0.072 0.000 2.704 428 F HA 0.097 4.625 4.527 0.001 0.000 0.304 428 F C 1.997 177.758 175.800 -0.065 0.000 1.094 428 F CA -0.366 57.595 58.000 -0.064 0.000 1.275 428 F CB 0.022 38.983 39.000 -0.065 0.000 1.073 428 F HN -0.277 nan 8.300 nan 0.000 0.586 429 V N 0.937 120.884 119.914 0.055 0.000 2.319 429 V HA -0.407 3.714 4.120 0.001 0.000 0.264 429 V C 0.928 177.034 176.094 0.019 0.000 1.107 429 V CA 2.054 64.359 62.300 0.010 0.000 1.101 429 V CB -0.466 31.327 31.823 -0.050 0.000 0.704 429 V HN 0.455 nan 8.190 nan 0.000 0.454 430 N N -0.105 118.608 118.700 0.022 0.000 2.599 430 N HA 0.243 4.984 4.740 0.001 0.000 0.309 430 N C -0.645 174.872 175.510 0.012 0.000 1.743 430 N CA 0.074 53.128 53.050 0.007 0.000 0.918 430 N CB 1.262 39.743 38.487 -0.011 0.000 1.339 430 N HN 0.400 nan 8.380 nan 0.000 0.493 431 S N 1.156 116.872 115.700 0.026 0.000 2.607 431 S HA 0.586 5.057 4.470 0.001 0.000 0.303 431 S C -2.333 172.241 174.600 -0.044 0.000 1.086 431 S CA -0.994 57.201 58.200 -0.008 0.000 0.995 431 S CB 2.264 65.459 63.200 -0.009 0.000 1.084 431 S HN 0.183 nan 8.310 nan 0.000 0.507 432 P HA 0.182 nan 4.420 nan 0.000 0.269 432 P C 0.273 177.514 177.300 -0.098 0.000 1.209 432 P CA -0.133 62.924 63.100 -0.071 0.000 0.776 432 P CB 0.718 32.376 31.700 -0.070 0.000 0.876 433 E N 1.012 121.168 120.200 -0.072 0.000 2.208 433 E HA -0.074 4.277 4.350 0.001 0.000 0.193 433 E C 0.059 176.605 176.600 -0.089 0.000 0.988 433 E CA 1.115 57.470 56.400 -0.075 0.000 0.828 433 E CB 0.347 30.020 29.700 -0.045 0.000 0.763 433 E HN 0.595 nan 8.360 nan 0.000 0.478 434 E N 1.041 121.194 120.200 -0.078 0.000 2.873 434 E HA 0.247 4.598 4.350 0.001 0.000 0.232 434 E C -2.482 174.072 176.600 -0.077 0.000 1.123 434 E CA -1.646 54.709 56.400 -0.074 0.000 0.809 434 E CB 1.457 31.128 29.700 -0.048 0.000 1.366 434 E HN -0.005 nan 8.360 nan 0.000 0.400 435 P HA -0.056 nan 4.420 nan 0.000 0.269 435 P C -0.042 177.217 177.300 -0.068 0.000 1.209 435 P CA -0.084 62.956 63.100 -0.099 0.000 0.776 435 P CB 0.696 32.307 31.700 -0.149 0.000 0.876 436 S N 2.486 118.157 115.700 -0.049 0.000 2.584 436 S HA 0.131 4.602 4.470 0.001 0.000 0.270 436 S C 0.052 174.636 174.600 -0.027 0.000 1.346 436 S CA -0.696 57.486 58.200 -0.031 0.000 1.018 436 S CB 0.112 63.300 63.200 -0.020 0.000 0.899 436 S HN 0.355 nan 8.310 nan 0.000 0.542 437 L N 2.930 124.145 121.223 -0.014 0.000 2.361 437 L HA 0.372 4.712 4.340 0.001 0.000 0.278 437 L C 0.632 177.504 176.870 0.004 0.000 1.113 437 L CA 0.553 55.390 54.840 -0.005 0.000 0.849 437 L CB 0.620 42.681 42.059 0.004 0.000 1.155 437 L HN 0.954 nan 8.230 nan 0.000 0.452 438 S N 4.258 119.962 115.700 0.008 0.000 2.576 438 S HA 0.142 4.613 4.470 0.001 0.000 0.272 438 S C 1.451 176.065 174.600 0.023 0.000 1.352 438 S CA 0.002 58.213 58.200 0.019 0.000 1.021 438 S CB 0.596 63.813 63.200 0.028 0.000 0.887 438 S HN 0.774 nan 8.310 nan 0.000 0.542 439 R N 2.278 122.792 120.500 0.023 0.000 2.115 439 R HA -0.009 4.332 4.340 0.001 0.000 0.230 439 R C 2.269 178.579 176.300 0.017 0.000 1.111 439 R CA 1.654 57.764 56.100 0.017 0.000 0.976 439 R CB -0.304 30.003 30.300 0.012 0.000 0.870 439 R HN 0.660 nan 8.270 nan 0.000 0.445 440 M N 0.801 120.414 119.600 0.022 0.000 2.296 440 M HA -0.024 4.457 4.480 0.001 0.000 0.265 440 M C 0.502 176.824 176.300 0.037 0.000 1.064 440 M CA 0.809 56.120 55.300 0.019 0.000 1.109 440 M CB 0.173 32.780 32.600 0.012 0.000 1.396 440 M HN 0.012 nan 8.290 nan 0.000 0.430 441 V N -2.325 117.613 119.914 0.041 0.000 2.709 441 V HA 0.579 4.700 4.120 0.001 0.000 0.308 441 V C -0.012 176.122 176.094 0.066 0.000 1.062 441 V CA -1.053 61.285 62.300 0.063 0.000 0.901 441 V CB 1.238 33.112 31.823 0.084 0.000 1.003 441 V HN 0.263 nan 8.190 nan 0.000 0.425 442 T N -0.352 114.248 114.554 0.077 0.000 2.824 442 T HA 0.397 4.748 4.350 0.001 0.000 0.277 442 T C 0.864 175.608 174.700 0.074 0.000 0.975 442 T CA 0.611 62.750 62.100 0.065 0.000 0.966 442 T CB 1.507 70.413 68.868 0.063 0.000 1.054 442 T HN 0.880 nan 8.240 nan 0.000 0.533 443 E N 0.513 120.747 120.200 0.057 0.000 2.085 443 E HA -0.149 4.202 4.350 0.001 0.000 0.194 443 E C 1.849 178.492 176.600 0.073 0.000 0.994 443 E CA 1.655 58.088 56.400 0.055 0.000 0.801 443 E CB -0.415 29.308 29.700 0.038 0.000 0.743 443 E HN 0.768 nan 8.360 nan 0.000 0.453 444 E N 0.819 121.063 120.200 0.074 0.000 2.031 444 E HA -0.171 4.180 4.350 0.001 0.000 0.193 444 E C 2.039 178.715 176.600 0.128 0.000 0.994 444 E CA 1.547 57.996 56.400 0.082 0.000 0.800 444 E CB -0.335 29.405 29.700 0.066 0.000 0.752 444 E HN 0.425 nan 8.360 nan 0.000 0.447 445 E N 0.302 120.599 120.200 0.162 0.000 2.097 445 E HA -0.206 4.144 4.350 0.001 0.000 0.196 445 E C 1.994 178.822 176.600 0.380 0.000 1.000 445 E CA 0.973 57.544 56.400 0.286 0.000 0.804 445 E CB -0.193 29.657 29.700 0.250 0.000 0.740 445 E HN 0.213 nan 8.360 nan 0.000 0.454 446 I N 1.270 121.998 120.570 0.263 0.000 2.252 446 I HA -0.213 3.958 4.170 0.001 0.000 0.245 446 I C 2.309 178.525 176.117 0.164 0.000 1.102 446 I CA 1.222 62.658 61.300 0.228 0.000 1.385 446 I CB -0.900 37.169 38.000 0.115 0.000 1.064 446 I HN 0.128 nan 8.210 nan 0.000 0.414 447 Q N -0.411 119.460 119.800 0.119 0.000 2.291 447 Q HA -0.168 4.173 4.340 0.001 0.000 0.205 447 Q C 2.068 178.074 176.000 0.009 0.000 0.970 447 Q CA 1.051 56.890 55.803 0.059 0.000 0.876 447 Q CB -0.606 28.158 28.738 0.045 0.000 0.935 447 Q HN 0.492 nan 8.270 nan 0.000 0.455 448 F N -0.041 119.844 119.950 -0.109 0.000 2.113 448 F HA -0.235 4.292 4.527 0.001 0.000 0.297 448 F C 1.731 177.366 175.800 -0.275 0.000 1.103 448 F CA 1.236 59.059 58.000 -0.295 0.000 1.248 448 F CB -0.335 38.268 39.000 -0.661 0.000 0.999 448 F HN -0.025 nan 8.300 nan 0.000 0.475 449 Y N -0.069 120.130 120.300 -0.169 0.000 2.224 449 Y HA -0.229 4.321 4.550 0.001 0.000 0.289 449 Y C 2.471 178.123 175.900 -0.413 0.000 1.146 449 Y CA 1.646 59.523 58.100 -0.371 0.000 1.182 449 Y CB -1.017 36.982 38.460 -0.769 0.000 0.983 449 Y HN -0.074 nan 8.280 nan 0.000 0.524 450 V N 0.865 120.692 119.914 -0.144 0.000 2.220 450 V HA -0.400 3.721 4.120 0.001 0.000 0.246 450 V C 2.321 178.441 176.094 0.043 0.000 1.049 450 V CA 2.449 64.788 62.300 0.065 0.000 1.003 450 V CB -1.153 30.724 31.823 0.090 0.000 0.634 450 V HN 0.546 nan 8.190 nan 0.000 0.444 451 Q N -0.358 119.380 119.800 -0.103 0.000 2.197 451 Q HA -0.283 4.057 4.340 0.001 0.000 0.207 451 Q C 2.098 177.985 176.000 -0.189 0.000 0.984 451 Q CA 1.853 57.566 55.803 -0.150 0.000 0.869 451 Q CB -0.456 28.142 28.738 -0.233 0.000 0.906 451 Q HN 0.551 nan 8.270 nan 0.000 0.426 452 Q N 0.319 119.944 119.800 -0.292 0.000 2.046 452 Q HA -0.062 4.279 4.340 0.001 0.000 0.200 452 Q C 1.736 177.637 176.000 -0.166 0.000 0.975 452 Q CA 1.215 56.841 55.803 -0.295 0.000 0.836 452 Q CB -0.228 28.271 28.738 -0.397 0.000 0.896 452 Q HN 0.483 nan 8.270 nan 0.000 0.428 453 F N 0.859 120.747 119.950 -0.102 0.000 2.802 453 F HA 0.038 4.565 4.527 0.001 0.000 0.300 453 F C 2.001 177.807 175.800 0.009 0.000 1.168 453 F CA 0.459 58.436 58.000 -0.039 0.000 1.433 453 F CB 0.009 39.047 39.000 0.063 0.000 1.115 453 F HN -0.027 nan 8.300 nan 0.000 0.582 454 K N 0.062 120.534 120.400 0.121 0.000 2.365 454 K HA -0.061 4.260 4.320 0.001 0.000 0.197 454 K C 1.742 178.358 176.600 0.027 0.000 1.042 454 K CA 0.511 56.849 56.287 0.085 0.000 0.987 454 K CB 0.203 32.732 32.500 0.047 0.000 0.779 454 K HN 0.248 nan 8.250 nan 0.000 0.484 455 K N -0.187 120.198 120.400 -0.026 0.000 1.974 455 K HA -0.008 4.313 4.320 0.001 0.000 0.211 455 K C 1.682 178.264 176.600 -0.031 0.000 1.039 455 K CA 1.524 57.785 56.287 -0.044 0.000 0.947 455 K CB -0.033 32.418 32.500 -0.080 0.000 0.735 455 K HN -0.121 nan 8.250 nan 0.000 0.441 456 S N -0.047 115.612 115.700 -0.069 0.000 2.540 456 S HA 0.234 4.704 4.470 0.001 0.000 0.218 456 S C 0.573 175.149 174.600 -0.041 0.000 0.977 456 S CA 0.045 58.214 58.200 -0.052 0.000 0.918 456 S CB 0.702 63.861 63.200 -0.067 0.000 0.806 456 S HN 0.637 nan 8.310 nan 0.000 0.496 457 G N 1.837 110.630 108.800 -0.011 0.000 2.569 457 G HA2 -0.281 3.680 3.960 0.001 0.000 0.259 457 G HA3 -0.281 3.680 3.960 0.001 0.000 0.259 457 G C -0.024 174.873 174.900 -0.005 0.000 1.263 457 G CA 0.127 45.287 45.100 0.100 0.000 0.928 457 G HN 0.364 nan 8.290 nan 0.000 0.572 458 F N 0.706 120.714 119.950 0.098 0.000 2.653 458 F HA 0.353 4.880 4.527 0.001 0.000 0.304 458 F C 2.392 178.191 175.800 -0.000 0.000 1.092 458 F CA 0.618 58.670 58.000 0.086 0.000 1.279 458 F CB 0.425 39.475 39.000 0.084 0.000 1.044 458 F HN 0.433 nan 8.300 nan 0.000 0.564 459 R N 0.439 120.990 120.500 0.085 0.000 2.062 459 R HA -0.048 4.292 4.340 0.001 0.000 0.229 459 R C 2.445 178.659 176.300 -0.144 0.000 1.128 459 R CA 1.541 57.638 56.100 -0.004 0.000 0.960 459 R CB -0.756 29.546 30.300 0.003 0.000 0.855 459 R HN 0.365 nan 8.270 nan 0.000 0.432 460 G N 1.190 109.871 108.800 -0.197 0.000 2.480 460 G HA2 -0.200 3.761 3.960 0.001 0.000 0.216 460 G HA3 -0.200 3.761 3.960 0.001 0.000 0.216 460 G C -1.006 173.545 174.900 -0.582 0.000 1.200 460 G CA 0.674 45.493 45.100 -0.469 0.000 0.782 460 G HN 0.333 nan 8.290 nan 0.000 0.554 461 P HA -0.093 nan 4.420 nan 0.000 0.214 461 P C 2.114 179.580 177.300 0.276 0.000 1.163 461 P CA 0.828 63.857 63.100 -0.117 0.000 0.889 461 P CB -0.168 31.355 31.700 -0.296 0.000 0.790 462 L N -1.207 120.159 121.223 0.239 0.000 2.127 462 L HA -0.205 4.136 4.340 0.001 0.000 0.211 462 L C 1.910 178.794 176.870 0.023 0.000 1.089 462 L CA 1.352 56.249 54.840 0.095 0.000 0.757 462 L CB -0.885 41.151 42.059 -0.038 0.000 0.899 462 L HN -0.009 nan 8.230 nan 0.000 0.434 463 N N -0.997 117.610 118.700 -0.156 0.000 2.430 463 N HA -0.203 4.538 4.740 0.001 0.000 0.186 463 N C 1.331 176.739 175.510 -0.170 0.000 1.032 463 N CA 0.951 53.865 53.050 -0.226 0.000 0.893 463 N CB -0.267 37.907 38.487 -0.522 0.000 0.957 463 N HN 0.345 nan 8.380 nan 0.000 0.442 464 W N -0.198 120.836 121.300 -0.443 0.000 2.374 464 W HA -0.063 4.598 4.660 0.002 0.000 0.288 464 W C 1.234 177.308 176.519 -0.742 0.000 1.218 464 W CA 0.636 57.525 57.345 -0.760 0.000 1.245 464 W CB -0.638 28.080 29.460 -1.236 0.000 1.126 464 W HN 0.158 nan 8.180 nan 0.000 0.545 465 Y N -0.679 119.622 120.300 0.002 0.000 2.511 465 Y HA 0.086 4.636 4.550 0.001 0.000 0.279 465 Y C 1.538 177.501 175.900 0.104 0.000 1.157 465 Y CA 0.745 58.983 58.100 0.231 0.000 1.300 465 Y CB -0.309 38.311 38.460 0.268 0.000 1.052 465 Y HN -0.192 nan 8.280 nan 0.000 0.529 466 R N 0.270 120.851 120.500 0.134 0.000 2.586 466 R HA 0.161 4.502 4.340 0.001 0.000 0.306 466 R C 0.042 176.361 176.300 0.032 0.000 1.079 466 R CA 0.078 56.222 56.100 0.072 0.000 1.083 466 R CB -0.091 30.226 30.300 0.028 0.000 1.306 466 R HN 0.178 nan 8.270 nan 0.000 0.567 467 N N 0.191 118.912 118.700 0.034 0.000 2.387 467 N HA 0.096 4.837 4.740 0.001 0.000 0.259 467 N C 0.958 176.509 175.510 0.069 0.000 1.369 467 N CA -0.018 53.037 53.050 0.009 0.000 0.867 467 N CB 0.673 39.111 38.487 -0.081 0.000 1.341 467 N HN 0.094 nan 8.380 nan 0.000 0.495 468 M N 0.406 120.074 119.600 0.114 0.000 2.255 468 M HA -0.162 4.318 4.480 0.001 0.000 0.260 468 M C 1.704 178.109 176.300 0.175 0.000 1.069 468 M CA 1.707 57.092 55.300 0.142 0.000 1.089 468 M CB -0.858 31.794 32.600 0.088 0.000 1.269 468 M HN 0.071 nan 8.290 nan 0.000 0.434 469 E N 0.262 120.552 120.200 0.149 0.000 2.086 469 E HA -0.222 4.129 4.350 0.001 0.000 0.205 469 E C 2.114 178.899 176.600 0.308 0.000 1.027 469 E CA 1.544 58.095 56.400 0.252 0.000 0.830 469 E CB -0.463 29.338 29.700 0.169 0.000 0.751 469 E HN 0.438 nan 8.360 nan 0.000 0.456 470 R N 0.188 120.783 120.500 0.159 0.000 2.070 470 R HA -0.103 4.238 4.340 0.001 0.000 0.233 470 R C 2.108 178.470 176.300 0.103 0.000 1.137 470 R CA 1.376 57.529 56.100 0.088 0.000 0.945 470 R CB -0.189 30.105 30.300 -0.010 0.000 0.845 470 R HN 0.147 nan 8.270 nan 0.000 0.430 471 N N -0.030 118.729 118.700 0.098 0.000 2.149 471 N HA -0.225 4.516 4.740 0.001 0.000 0.188 471 N C 1.221 176.868 175.510 0.227 0.000 1.019 471 N CA 1.224 54.342 53.050 0.113 0.000 0.857 471 N CB -0.523 38.021 38.487 0.096 0.000 0.997 471 N HN 0.357 nan 8.380 nan 0.000 0.426 472 W N 2.443 123.790 121.300 0.078 0.000 2.333 472 W HA -0.107 4.554 4.660 0.001 0.000 0.316 472 W C 1.841 178.428 176.519 0.114 0.000 1.215 472 W CA 1.467 58.861 57.345 0.083 0.000 1.278 472 W CB -0.361 29.131 29.460 0.054 0.000 1.154 472 W HN -0.053 nan 8.180 nan 0.000 0.486 473 K N -1.107 119.175 120.400 -0.197 0.000 2.152 473 K HA -0.240 4.081 4.320 0.001 0.000 0.206 473 K C 1.904 178.436 176.600 -0.114 0.000 1.048 473 K CA 1.772 57.807 56.287 -0.420 0.000 0.933 473 K CB -0.928 31.463 32.500 -0.182 0.000 0.721 473 K HN 0.265 nan 8.250 nan 0.000 0.447 474 W N 1.533 122.744 121.300 -0.148 0.000 2.378 474 W HA -0.103 4.558 4.660 0.001 0.000 0.313 474 W C 2.308 178.885 176.519 0.097 0.000 1.197 474 W CA 1.716 59.021 57.345 -0.067 0.000 1.304 474 W CB -0.628 28.735 29.460 -0.161 0.000 1.148 474 W HN 0.061 nan 8.180 nan 0.000 0.494 475 A N -0.382 122.536 122.820 0.164 0.000 1.948 475 A HA -0.288 4.033 4.320 0.001 0.000 0.220 475 A C 1.992 179.616 177.584 0.068 0.000 1.177 475 A CA 2.050 54.217 52.037 0.217 0.000 0.636 475 A CB -1.566 17.626 19.000 0.320 0.000 0.815 475 A HN 0.416 nan 8.150 nan 0.000 0.449 476 C N -0.510 118.740 119.300 -0.084 0.000 2.409 476 C HA -0.088 4.372 4.460 0.001 0.000 0.284 476 C C 2.550 177.488 174.990 -0.087 0.000 1.354 476 C CA 1.283 60.218 59.018 -0.138 0.000 1.787 476 C CB -1.146 26.399 27.740 -0.326 0.000 1.900 476 C HN 0.622 nan 8.230 nan 0.000 0.520 477 K N 1.140 121.495 120.400 -0.075 0.000 2.288 477 K HA -0.075 4.246 4.320 0.001 0.000 0.201 477 K C 1.789 178.300 176.600 -0.150 0.000 1.048 477 K CA 1.611 57.851 56.287 -0.079 0.000 0.956 477 K CB -0.196 32.286 32.500 -0.030 0.000 0.746 477 K HN 0.619 nan 8.250 nan 0.000 0.461 478 S N 0.357 115.944 115.700 -0.188 0.000 2.572 478 S HA 0.169 4.639 4.470 0.001 0.000 0.228 478 S C 1.501 176.066 174.600 -0.057 0.000 0.963 478 S CA -0.316 57.718 58.200 -0.276 0.000 0.939 478 S CB -0.205 62.681 63.200 -0.524 0.000 0.804 478 S HN 0.149 nan 8.310 nan 0.000 0.480 479 L N 0.856 122.090 121.223 0.018 0.000 2.450 479 L HA 0.077 4.418 4.340 0.001 0.000 0.224 479 L C 2.407 179.449 176.870 0.288 0.000 1.149 479 L CA 1.119 56.061 54.840 0.171 0.000 0.816 479 L CB -0.546 41.588 42.059 0.125 0.000 0.932 479 L HN 0.615 nan 8.230 nan 0.000 0.449 480 G N -0.719 108.149 108.800 0.113 0.000 2.887 480 G HA2 0.042 4.003 3.960 0.001 0.000 0.211 480 G HA3 0.042 4.003 3.960 0.001 0.000 0.211 480 G C 1.029 175.952 174.900 0.039 0.000 1.152 480 G CA -0.370 44.768 45.100 0.062 0.000 0.769 480 G HN 0.224 nan 8.290 nan 0.000 0.541 481 R N -0.281 120.245 120.500 0.045 0.000 2.611 481 R HA 0.711 5.052 4.340 0.001 0.000 0.243 481 R C -0.416 175.934 176.300 0.083 0.000 1.260 481 R CA -0.069 56.030 56.100 -0.002 0.000 1.095 481 R CB 0.420 30.649 30.300 -0.117 0.000 1.259 481 R HN -0.060 nan 8.270 nan 0.000 0.575 482 K N 0.215 120.628 120.400 0.023 0.000 2.572 482 K HA 0.259 4.580 4.320 0.001 0.000 0.263 482 K C -1.342 175.249 176.600 -0.015 0.000 0.932 482 K CA -0.681 55.635 56.287 0.048 0.000 0.838 482 K CB 1.745 34.240 32.500 -0.008 0.000 1.366 482 K HN 0.290 nan 8.250 nan 0.000 0.425 483 I N 4.801 125.356 120.570 -0.024 0.000 2.347 483 I HA 0.059 4.230 4.170 0.001 0.000 0.294 483 I C 0.956 177.101 176.117 0.046 0.000 1.090 483 I CA 0.348 61.638 61.300 -0.017 0.000 1.314 483 I CB -0.101 37.879 38.000 -0.034 0.000 1.423 483 I HN 0.600 nan 8.210 nan 0.000 0.503 484 L N 6.756 128.017 121.223 0.063 0.000 2.693 484 L HA 0.276 4.617 4.340 0.001 0.000 0.235 484 L C 0.998 177.959 176.870 0.151 0.000 1.127 484 L CA 0.107 55.014 54.840 0.111 0.000 0.914 484 L CB 0.084 42.193 42.059 0.082 0.000 1.193 484 L HN 0.511 nan 8.230 nan 0.000 0.502 485 I N -2.658 117.995 120.570 0.138 0.000 2.834 485 I HA 0.395 4.566 4.170 0.001 0.000 0.305 485 I C -2.176 174.068 176.117 0.212 0.000 1.008 485 I CA -2.376 59.015 61.300 0.151 0.000 1.273 485 I CB -0.195 37.887 38.000 0.136 0.000 1.432 485 I HN -0.218 nan 8.210 nan 0.000 0.557 486 P HA 0.156 nan 4.420 nan 0.000 0.260 486 P C -0.992 176.596 177.300 0.480 0.000 1.185 486 P CA 0.274 63.557 63.100 0.305 0.000 0.763 486 P CB 0.474 32.278 31.700 0.174 0.000 0.776 487 A N 4.027 127.147 122.820 0.500 0.000 2.435 487 A HA 0.794 5.115 4.320 0.001 0.000 0.304 487 A C -1.496 176.222 177.584 0.223 0.000 1.064 487 A CA -0.768 51.528 52.037 0.432 0.000 0.727 487 A CB 1.331 20.627 19.000 0.492 0.000 1.284 487 A HN 0.575 nan 8.150 nan 0.000 0.415 488 L N 2.200 123.304 121.223 -0.199 0.000 2.438 488 L HA 0.714 5.055 4.340 0.001 0.000 0.270 488 L C -1.428 175.325 176.870 -0.195 0.000 0.972 488 L CA -0.759 53.776 54.840 -0.509 0.000 0.831 488 L CB 1.982 43.039 42.059 -1.670 0.000 1.273 488 L HN 0.888 nan 8.230 nan 0.000 0.405 489 M N 6.074 125.668 119.600 -0.010 0.000 2.023 489 M HA 0.389 4.870 4.480 0.001 0.000 0.325 489 M C -1.635 174.693 176.300 0.047 0.000 0.963 489 M CA -0.339 55.033 55.300 0.121 0.000 0.928 489 M CB 1.124 33.850 32.600 0.209 0.000 1.429 489 M HN 0.216 nan 8.290 nan 0.000 0.404 490 V N 4.533 124.459 119.914 0.019 0.000 2.364 490 V HA 0.521 4.642 4.120 0.001 0.000 0.272 490 V C 0.369 176.494 176.094 0.053 0.000 1.036 490 V CA -0.518 61.792 62.300 0.018 0.000 0.880 490 V CB 0.724 32.537 31.823 -0.018 0.000 0.991 490 V HN 0.869 nan 8.190 nan 0.000 0.460 491 T N 2.248 116.853 114.554 0.084 0.000 2.902 491 T HA 0.813 5.164 4.350 0.001 0.000 0.283 491 T C -0.197 174.498 174.700 -0.008 0.000 1.009 491 T CA -0.580 61.581 62.100 0.102 0.000 1.051 491 T CB 1.936 70.928 68.868 0.205 0.000 0.999 491 T HN 0.904 nan 8.240 nan 0.000 0.474 492 A N 1.774 124.556 122.820 -0.063 0.000 2.273 492 A HA 0.475 4.796 4.320 0.001 0.000 0.315 492 A C 1.079 178.557 177.584 -0.177 0.000 1.256 492 A CA -0.769 51.147 52.037 -0.203 0.000 0.851 492 A CB 0.609 19.515 19.000 -0.156 0.000 1.172 492 A HN 1.111 nan 8.150 nan 0.000 0.508 493 E N 2.273 122.313 120.200 -0.267 0.000 2.045 493 E HA -0.229 4.122 4.350 0.001 0.000 0.212 493 E C 0.528 176.991 176.600 -0.227 0.000 1.039 493 E CA 1.646 58.011 56.400 -0.059 0.000 0.860 493 E CB -0.031 29.651 29.700 -0.029 0.000 0.776 493 E HN 0.557 nan 8.360 nan 0.000 0.467 494 K N 1.528 121.737 120.400 -0.317 0.000 2.630 494 K HA 0.001 4.322 4.320 0.001 0.000 0.204 494 K C -0.219 175.759 176.600 -1.037 0.000 1.024 494 K CA 0.141 56.027 56.287 -0.668 0.000 1.157 494 K CB -0.302 32.054 32.500 -0.239 0.000 0.899 494 K HN 0.191 nan 8.250 nan 0.000 0.501 495 D N 0.246 120.246 120.400 -0.667 0.000 2.347 495 D HA 0.059 4.699 4.640 0.001 0.000 0.235 495 D C 0.017 175.996 176.300 -0.535 0.000 1.149 495 D CA -0.439 53.295 54.000 -0.443 0.000 0.850 495 D CB 0.303 41.003 40.800 -0.167 0.000 1.061 495 D HN 0.001 nan 8.370 nan 0.000 0.487 496 F N 2.731 122.666 119.950 -0.024 0.000 2.765 496 F HA 0.035 4.562 4.527 0.001 0.000 0.302 496 F C 1.773 177.506 175.800 -0.110 0.000 1.111 496 F CA -0.304 57.665 58.000 -0.051 0.000 1.359 496 F CB 0.523 39.505 39.000 -0.031 0.000 1.097 496 F HN 0.309 nan 8.300 nan 0.000 0.577 497 V N -0.446 119.453 119.914 -0.024 0.000 3.219 497 V HA 0.276 4.397 4.120 0.001 0.000 0.240 497 V C 0.611 176.663 176.094 -0.070 0.000 1.222 497 V CA 0.532 62.769 62.300 -0.104 0.000 1.181 497 V CB 0.469 32.217 31.823 -0.126 0.000 0.941 497 V HN 0.138 nan 8.190 nan 0.000 0.471 498 L N 2.281 123.501 121.223 -0.004 0.000 2.843 498 L HA 0.426 4.767 4.340 0.001 0.000 0.234 498 L C -0.352 176.520 176.870 0.004 0.000 1.264 498 L CA -0.509 54.362 54.840 0.053 0.000 1.052 498 L CB 1.183 43.304 42.059 0.102 0.000 1.372 498 L HN 0.050 nan 8.230 nan 0.000 0.466 499 V N 2.131 122.028 119.914 -0.029 0.000 2.673 499 V HA 0.010 4.130 4.120 0.001 0.000 0.303 499 V C -1.027 175.065 176.094 -0.004 0.000 1.046 499 V CA -0.697 61.582 62.300 -0.035 0.000 1.126 499 V CB 0.902 32.707 31.823 -0.031 0.000 0.934 499 V HN 0.369 nan 8.190 nan 0.000 0.487 500 P HA -0.217 nan 4.420 nan 0.000 0.217 500 P C 1.683 178.975 177.300 -0.013 0.000 1.148 500 P CA 1.354 64.467 63.100 0.022 0.000 0.828 500 P CB 0.051 31.779 31.700 0.047 0.000 0.783 501 Q N -1.094 118.690 119.800 -0.026 0.000 2.368 501 Q HA -0.129 4.212 4.340 0.001 0.000 0.210 501 Q C 1.736 177.711 176.000 -0.041 0.000 0.982 501 Q CA 1.360 57.135 55.803 -0.047 0.000 0.884 501 Q CB -0.904 27.814 28.738 -0.033 0.000 0.933 501 Q HN 0.258 nan 8.270 nan 0.000 0.460 502 M N 0.980 120.574 119.600 -0.009 0.000 2.562 502 M HA -0.013 4.468 4.480 0.001 0.000 0.257 502 M C 1.313 177.617 176.300 0.007 0.000 1.099 502 M CA 1.220 56.530 55.300 0.017 0.000 1.099 502 M CB 0.228 32.856 32.600 0.046 0.000 1.427 502 M HN 0.417 nan 8.290 nan 0.000 0.489 503 S N -0.859 114.835 115.700 -0.010 0.000 2.539 503 S HA -0.008 4.463 4.470 0.001 0.000 0.221 503 S C 1.534 176.103 174.600 -0.051 0.000 0.987 503 S CA -0.460 57.734 58.200 -0.009 0.000 0.929 503 S CB -0.300 62.918 63.200 0.030 0.000 0.832 503 S HN 0.604 nan 8.310 nan 0.000 0.492 504 Q N 1.187 120.904 119.800 -0.138 0.000 2.297 504 Q HA -0.173 4.168 4.340 0.001 0.000 0.208 504 Q C 0.839 176.659 176.000 -0.299 0.000 0.981 504 Q CA 1.789 57.441 55.803 -0.252 0.000 0.876 504 Q CB -0.909 27.604 28.738 -0.375 0.000 0.921 504 Q HN 0.805 nan 8.270 nan 0.000 0.446 505 H N -0.676 118.407 119.070 0.022 0.000 2.549 505 H HA 0.282 4.838 4.556 0.001 0.000 0.279 505 H C 1.408 176.792 175.328 0.094 0.000 1.018 505 H CA -0.111 55.967 56.048 0.050 0.000 1.175 505 H CB 0.306 30.105 29.762 0.062 0.000 1.485 505 H HN 0.176 nan 8.280 nan 0.000 0.543 506 M N 0.655 120.331 119.600 0.126 0.000 2.108 506 M HA -0.171 4.310 4.480 0.001 0.000 0.261 506 M C 1.675 178.063 176.300 0.147 0.000 1.066 506 M CA 1.349 56.724 55.300 0.125 0.000 1.107 506 M CB 0.046 32.658 32.600 0.020 0.000 1.356 506 M HN 0.354 nan 8.290 nan 0.000 0.406 507 E N 0.595 120.846 120.200 0.085 0.000 2.333 507 E HA -0.216 4.135 4.350 0.001 0.000 0.200 507 E C 1.052 177.661 176.600 0.015 0.000 1.010 507 E CA 1.248 57.674 56.400 0.043 0.000 0.841 507 E CB -0.788 28.924 29.700 0.021 0.000 0.757 507 E HN 0.582 nan 8.360 nan 0.000 0.508 508 D N -0.036 120.390 120.400 0.045 0.000 2.149 508 D HA -0.121 4.519 4.640 0.001 0.000 0.201 508 D C 1.448 177.601 176.300 -0.245 0.000 0.972 508 D CA 0.891 54.819 54.000 -0.120 0.000 0.835 508 D CB -0.428 40.282 40.800 -0.151 0.000 0.966 508 D HN 0.373 nan 8.370 nan 0.000 0.476 509 W N 0.173 121.474 121.300 0.001 0.000 2.996 509 W HA 0.358 5.018 4.660 0.001 0.000 0.270 509 W C 0.479 176.974 176.519 -0.040 0.000 1.280 509 W CA -0.130 57.230 57.345 0.026 0.000 1.549 509 W CB 0.342 29.921 29.460 0.199 0.000 1.079 509 W HN -0.202 nan 8.180 nan 0.000 0.629 510 I N 0.664 121.311 120.570 0.127 0.000 2.925 510 I HA 0.192 4.363 4.170 0.001 0.000 0.296 510 I C -1.821 174.282 176.117 -0.023 0.000 1.413 510 I CA -1.778 59.542 61.300 0.033 0.000 0.932 510 I CB 1.193 39.202 38.000 0.015 0.000 1.873 510 I HN -0.334 nan 8.210 nan 0.000 0.619 511 P HA -0.234 nan 4.420 nan 0.000 0.219 511 P C 0.860 177.984 177.300 -0.294 0.000 1.161 511 P CA 1.757 64.681 63.100 -0.293 0.000 0.909 511 P CB -0.021 31.371 31.700 -0.514 0.000 0.793 512 H N -1.867 117.244 119.070 0.069 0.000 2.568 512 H HA 0.205 4.762 4.556 0.001 0.000 0.302 512 H C 0.561 175.960 175.328 0.119 0.000 1.065 512 H CA -0.820 55.279 56.048 0.086 0.000 1.140 512 H CB -0.935 28.879 29.762 0.086 0.000 1.474 512 H HN 0.121 nan 8.280 nan 0.000 0.545 513 L N 1.787 123.103 121.223 0.156 0.000 2.499 513 L HA 0.080 4.421 4.340 0.001 0.000 0.273 513 L C 0.240 177.205 176.870 0.157 0.000 1.195 513 L CA 0.197 55.138 54.840 0.168 0.000 0.882 513 L CB 0.435 42.565 42.059 0.117 0.000 1.133 513 L HN -0.015 nan 8.230 nan 0.000 0.483 514 K N 5.131 125.632 120.400 0.169 0.000 2.132 514 K HA 0.642 4.963 4.320 0.001 0.000 0.241 514 K C -0.518 176.120 176.600 0.063 0.000 1.000 514 K CA -0.881 55.487 56.287 0.135 0.000 0.911 514 K CB 1.539 34.162 32.500 0.205 0.000 1.093 514 K HN 0.633 nan 8.250 nan 0.000 0.460 515 R N -0.986 119.545 120.500 0.051 0.000 2.869 515 R HA 0.620 4.961 4.340 0.001 0.000 0.263 515 R C -0.908 175.409 176.300 0.028 0.000 1.066 515 R CA -1.025 55.094 56.100 0.031 0.000 0.960 515 R CB 2.214 32.542 30.300 0.046 0.000 1.221 515 R HN 0.785 nan 8.270 nan 0.000 0.474 516 G N 0.015 108.838 108.800 0.039 0.000 2.755 516 G HA2 0.443 4.403 3.960 0.001 0.000 0.297 516 G HA3 0.443 4.403 3.960 0.001 0.000 0.297 516 G C -2.251 172.713 174.900 0.107 0.000 1.441 516 G CA -0.277 44.854 45.100 0.053 0.000 0.964 516 G HN 0.530 nan 8.290 nan 0.000 0.540 517 H N 0.178 119.243 119.070 -0.008 0.000 2.894 517 H HA 0.819 5.376 4.556 0.001 0.000 0.368 517 H C -1.006 174.311 175.328 -0.019 0.000 1.181 517 H CA -0.843 55.196 56.048 -0.015 0.000 1.146 517 H CB 1.971 31.725 29.762 -0.013 0.000 1.839 517 H HN 0.450 nan 8.280 nan 0.000 0.557 518 I N 2.608 122.773 120.570 -0.675 0.000 2.607 518 I HA 0.190 4.361 4.170 0.001 0.000 0.290 518 I C -0.670 175.150 176.117 -0.496 0.000 1.129 518 I CA -0.999 60.057 61.300 -0.407 0.000 1.042 518 I CB 2.080 39.928 38.000 -0.253 0.000 1.242 518 I HN 0.493 nan 8.210 nan 0.000 0.421 519 E N 3.145 123.210 120.200 -0.225 0.000 2.373 519 E HA 0.068 4.418 4.350 0.001 0.000 0.263 519 E C -0.272 176.266 176.600 -0.103 0.000 1.073 519 E CA -0.288 56.041 56.400 -0.118 0.000 0.894 519 E CB 0.641 30.325 29.700 -0.026 0.000 1.008 519 E HN 0.598 nan 8.360 nan 0.000 0.420 520 D N 0.394 120.757 120.400 -0.061 0.000 2.755 520 D HA -0.227 4.414 4.640 0.001 0.000 0.227 520 D C -1.318 174.943 176.300 -0.066 0.000 1.211 520 D CA 0.488 54.466 54.000 -0.038 0.000 0.663 520 D CB -0.763 40.032 40.800 -0.007 0.000 0.983 520 D HN 0.379 nan 8.370 nan 0.000 0.407 521 C N 2.100 121.329 119.300 -0.118 0.000 2.321 521 C HA 0.818 5.279 4.460 0.001 0.000 0.323 521 C C 1.333 176.250 174.990 -0.123 0.000 1.191 521 C CA 0.109 59.056 59.018 -0.119 0.000 1.455 521 C CB -0.256 27.384 27.740 -0.167 0.000 2.083 521 C HN 0.601 nan 8.230 nan 0.000 0.442 522 G N 2.925 111.696 108.800 -0.048 0.000 2.527 522 G HA2 0.045 4.006 3.960 0.001 0.000 0.279 522 G HA3 0.045 4.006 3.960 0.001 0.000 0.279 522 G C 0.732 175.594 174.900 -0.062 0.000 1.374 522 G CA 0.600 45.688 45.100 -0.020 0.000 1.053 522 G HN 0.992 nan 8.290 nan 0.000 0.539 523 H N -1.188 117.755 119.070 -0.213 0.000 2.357 523 H HA -0.045 4.512 4.556 0.001 0.000 0.301 523 H C 0.940 176.095 175.328 -0.288 0.000 1.082 523 H CA 1.062 56.901 56.048 -0.349 0.000 1.342 523 H CB -0.167 29.208 29.762 -0.646 0.000 1.389 523 H HN 0.463 nan 8.280 nan 0.000 0.511 524 W N 2.613 123.914 121.300 0.002 0.000 1.319 524 W HA 0.147 4.807 4.660 0.001 0.000 0.506 524 W C 1.160 177.485 176.519 -0.323 0.000 0.626 524 W CA 0.069 57.292 57.345 -0.203 0.000 2.268 524 W CB -0.361 29.042 29.460 -0.095 0.000 1.536 524 W HN 0.127 nan 8.180 nan 0.000 0.199 525 T N 0.214 114.558 114.554 -0.349 0.000 2.607 525 T HA -0.345 4.006 4.350 0.001 0.000 0.267 525 T C 1.736 176.261 174.700 -0.291 0.000 1.049 525 T CA 1.892 63.807 62.100 -0.308 0.000 1.162 525 T CB -0.218 68.450 68.868 -0.333 0.000 0.863 525 T HN 0.280 nan 8.240 nan 0.000 0.424 526 Q N 0.650 120.182 119.800 -0.447 0.000 2.133 526 Q HA -0.092 4.249 4.340 0.001 0.000 0.208 526 Q C 2.324 178.245 176.000 -0.131 0.000 0.991 526 Q CA 1.799 57.410 55.803 -0.320 0.000 0.867 526 Q CB -0.484 27.932 28.738 -0.536 0.000 0.911 526 Q HN 0.543 nan 8.270 nan 0.000 0.417 527 M N -0.528 118.991 119.600 -0.136 0.000 2.193 527 M HA -0.116 4.365 4.480 0.001 0.000 0.265 527 M C 1.662 177.923 176.300 -0.065 0.000 1.071 527 M CA 1.020 56.302 55.300 -0.030 0.000 1.140 527 M CB -0.119 32.422 32.600 -0.098 0.000 1.369 527 M HN 0.169 nan 8.290 nan 0.000 0.423 528 D N 0.905 121.269 120.400 -0.060 0.000 2.078 528 D HA -0.101 4.540 4.640 0.001 0.000 0.193 528 D C 0.556 176.794 176.300 -0.103 0.000 0.990 528 D CA 1.261 55.230 54.000 -0.052 0.000 0.827 528 D CB 0.324 41.111 40.800 -0.022 0.000 0.975 528 D HN -0.012 nan 8.370 nan 0.000 0.451 529 K N 0.517 120.843 120.400 -0.124 0.000 2.877 529 K HA 0.217 4.538 4.320 0.001 0.000 0.176 529 K C -1.934 174.576 176.600 -0.150 0.000 1.075 529 K CA -1.527 54.679 56.287 -0.135 0.000 0.939 529 K CB 1.820 34.252 32.500 -0.112 0.000 1.237 529 K HN 0.171 nan 8.250 nan 0.000 0.607 530 P HA -0.176 nan 4.420 nan 0.000 0.215 530 P C 0.987 178.207 177.300 -0.132 0.000 1.153 530 P CA 1.436 64.410 63.100 -0.210 0.000 0.853 530 P CB 0.257 31.626 31.700 -0.552 0.000 0.788 531 T N 0.518 114.981 114.554 -0.152 0.000 2.708 531 T HA -0.147 4.203 4.350 0.001 0.000 0.266 531 T C 1.745 176.413 174.700 -0.052 0.000 1.037 531 T CA 1.767 63.813 62.100 -0.090 0.000 1.146 531 T CB -0.727 68.085 68.868 -0.094 0.000 0.865 531 T HN 0.209 nan 8.240 nan 0.000 0.435 532 E N 0.761 120.924 120.200 -0.062 0.000 2.077 532 E HA -0.065 4.286 4.350 0.001 0.000 0.193 532 E C 2.345 178.931 176.600 -0.025 0.000 0.989 532 E CA 0.612 56.986 56.400 -0.042 0.000 0.800 532 E CB -0.712 28.952 29.700 -0.060 0.000 0.746 532 E HN 0.251 nan 8.360 nan 0.000 0.452 533 V N 1.462 121.357 119.914 -0.031 0.000 2.295 533 V HA -0.311 3.810 4.120 0.001 0.000 0.246 533 V C 1.704 177.820 176.094 0.037 0.000 1.049 533 V CA 2.165 64.464 62.300 -0.000 0.000 1.024 533 V CB -0.693 31.127 31.823 -0.004 0.000 0.648 533 V HN 0.327 nan 8.190 nan 0.000 0.447 534 N N -0.490 118.232 118.700 0.037 0.000 2.120 534 N HA -0.241 4.500 4.740 0.001 0.000 0.188 534 N C 2.011 177.550 175.510 0.048 0.000 1.024 534 N CA 1.128 54.210 53.050 0.053 0.000 0.852 534 N CB -0.161 38.354 38.487 0.048 0.000 1.003 534 N HN 0.452 nan 8.380 nan 0.000 0.424 535 Q N 1.331 121.151 119.800 0.034 0.000 2.020 535 Q HA -0.123 4.218 4.340 0.001 0.000 0.202 535 Q C 2.153 178.188 176.000 0.059 0.000 0.982 535 Q CA 1.240 57.066 55.803 0.039 0.000 0.838 535 Q CB -0.145 28.606 28.738 0.022 0.000 0.899 535 Q HN 0.446 nan 8.270 nan 0.000 0.423 536 I N 0.635 121.236 120.570 0.052 0.000 2.163 536 I HA -0.332 3.839 4.170 0.001 0.000 0.243 536 I C 2.411 178.597 176.117 0.116 0.000 1.085 536 I CA 0.986 62.327 61.300 0.067 0.000 1.347 536 I CB -0.301 37.718 38.000 0.031 0.000 1.044 536 I HN 0.191 nan 8.210 nan 0.000 0.408 537 L N 0.217 121.504 121.223 0.108 0.000 2.056 537 L HA -0.190 4.151 4.340 0.001 0.000 0.207 537 L C 2.523 179.498 176.870 0.174 0.000 1.078 537 L CA 1.375 56.318 54.840 0.171 0.000 0.749 537 L CB -0.443 41.685 42.059 0.115 0.000 0.901 537 L HN 0.211 nan 8.230 nan 0.000 0.433 538 I N 0.021 120.642 120.570 0.085 0.000 2.226 538 I HA -0.313 3.858 4.170 0.001 0.000 0.245 538 I C 2.737 178.912 176.117 0.097 0.000 1.100 538 I CA 1.297 62.627 61.300 0.050 0.000 1.374 538 I CB -0.356 37.685 38.000 0.068 0.000 1.057 538 I HN 0.296 nan 8.210 nan 0.000 0.413 539 K N 0.605 121.080 120.400 0.125 0.000 2.032 539 K HA -0.275 4.046 4.320 0.001 0.000 0.209 539 K C 2.220 178.923 176.600 0.170 0.000 1.048 539 K CA 2.071 58.436 56.287 0.131 0.000 0.927 539 K CB -0.369 32.208 32.500 0.128 0.000 0.712 539 K HN 0.348 nan 8.250 nan 0.000 0.441 540 W N 1.672 122.984 121.300 0.019 0.000 2.379 540 W HA -0.120 4.540 4.660 0.001 0.000 0.307 540 W C 1.615 178.145 176.519 0.019 0.000 1.200 540 W CA 1.220 58.579 57.345 0.023 0.000 1.297 540 W CB -0.389 29.083 29.460 0.021 0.000 1.140 540 W HN 0.022 nan 8.180 nan 0.000 0.507 541 L N 0.539 121.677 121.223 -0.143 0.000 2.012 541 L HA -0.264 4.077 4.340 0.001 0.000 0.210 541 L C 2.124 178.906 176.870 -0.146 0.000 1.073 541 L CA 1.981 56.584 54.840 -0.395 0.000 0.748 541 L CB -0.975 40.801 42.059 -0.472 0.000 0.891 541 L HN -0.113 nan 8.230 nan 0.000 0.431 542 D N -0.834 119.581 120.400 0.025 0.000 2.218 542 D HA -0.152 4.488 4.640 0.001 0.000 0.204 542 D C 2.266 178.559 176.300 -0.012 0.000 0.976 542 D CA 1.500 55.547 54.000 0.078 0.000 0.853 542 D CB 0.066 40.924 40.800 0.097 0.000 0.939 542 D HN 0.346 nan 8.370 nan 0.000 0.481 543 S N -1.755 113.905 115.700 -0.067 0.000 2.502 543 S HA 0.079 4.550 4.470 0.001 0.000 0.215 543 S C 1.166 175.686 174.600 -0.134 0.000 1.009 543 S CA 0.016 58.177 58.200 -0.064 0.000 0.908 543 S CB 0.571 63.769 63.200 -0.003 0.000 0.801 543 S HN 0.025 nan 8.310 nan 0.000 0.505 544 D N 0.318 120.531 120.400 -0.311 0.000 2.489 544 D HA 0.411 5.051 4.640 0.001 0.000 0.231 544 D C 1.486 177.559 176.300 -0.378 0.000 1.114 544 D CA 0.743 54.526 54.000 -0.361 0.000 0.842 544 D CB 1.023 41.501 40.800 -0.538 0.000 1.133 544 D HN 0.500 nan 8.370 nan 0.000 0.506 545 A N 0.772 123.345 122.820 -0.412 0.000 2.070 545 A HA 0.062 4.383 4.320 0.001 0.000 0.202 545 A C 2.040 179.579 177.584 -0.075 0.000 1.277 545 A CA 0.262 52.139 52.037 -0.266 0.000 0.872 545 A CB 0.267 19.047 19.000 -0.366 0.000 0.933 545 A HN -0.071 nan 8.150 nan 0.000 0.475 546 R N 1.263 121.748 120.500 -0.024 0.000 2.115 546 R HA -0.037 4.303 4.340 0.001 0.000 0.226 546 R C 0.935 177.207 176.300 -0.047 0.000 1.100 546 R CA 0.851 56.941 56.100 -0.017 0.000 0.980 546 R CB -0.896 29.389 30.300 -0.025 0.000 0.875 546 R HN 0.568 nan 8.270 nan 0.000 0.445 547 N N 0.000 118.668 118.700 -0.054 0.000 1.763 547 N HA 0.000 4.741 4.740 0.001 0.000 0.220 547 N CA 0.000 53.022 53.050 -0.046 0.000 0.885 547 N CB 0.000 38.461 38.487 -0.044 0.000 1.341 547 N HN 0.000 nan 8.380 nan 0.000 0.667