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 3h5u_1_A DATA FIRST_RESID 1 DATA SEQUENCE HMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQXX DATA SEQUENCE XXGRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASRLDLSGW DATA SEQUENCE FVAGYSGGDI YHS 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 1 H HA 0.000 nan 4.556 nan 0.000 0.296 1 H C 0.000 175.301 175.328 -0.046 0.000 0.993 1 H CA 0.000 56.029 56.048 -0.032 0.000 1.023 1 H CB 0.000 29.749 29.762 -0.021 0.000 1.292 2 M N 1.340 120.935 119.600 -0.008 0.000 2.235 2 M HA 0.110 4.590 4.480 0.000 0.000 0.351 2 M C 1.882 178.090 176.300 -0.154 0.000 1.178 2 M CA 0.176 55.446 55.300 -0.050 0.000 1.143 2 M CB 1.223 33.799 32.600 -0.040 0.000 1.530 2 M HN 0.369 nan 8.290 nan 0.000 0.461 3 S N 2.462 118.001 115.700 -0.268 0.000 2.368 3 S HA -0.092 4.379 4.470 0.000 0.000 0.225 3 S C 0.110 174.310 174.600 -0.667 0.000 1.030 3 S CA 1.012 58.925 58.200 -0.479 0.000 0.999 3 S CB -0.193 62.640 63.200 -0.612 0.000 0.844 3 S HN 0.648 nan 8.310 nan 0.000 0.459 4 Y N 0.708 120.842 120.300 -0.277 0.000 2.562 4 Y HA 0.546 5.096 4.550 0.000 0.000 0.345 4 Y C -0.133 175.457 175.900 -0.517 0.000 1.045 4 Y CA -0.954 56.852 58.100 -0.491 0.000 1.028 4 Y CB 1.944 39.921 38.460 -0.805 0.000 1.297 4 Y HN 0.113 nan 8.280 nan 0.000 0.463 5 T N -2.300 112.004 114.554 -0.417 0.000 2.863 5 T HA 0.683 5.033 4.350 0.000 0.000 0.285 5 T C -1.283 173.133 174.700 -0.474 0.000 1.009 5 T CA -0.816 61.085 62.100 -0.331 0.000 0.989 5 T CB 1.155 69.952 68.868 -0.118 0.000 1.004 5 T HN 0.539 nan 8.240 nan 0.000 0.455 6 W N 0.940 122.293 121.300 0.088 0.000 2.666 6 W HA 0.476 5.136 4.660 0.000 0.000 0.334 6 W C 1.415 177.960 176.519 0.044 0.000 1.051 6 W CA -0.865 56.517 57.345 0.061 0.000 1.224 6 W CB 2.011 31.491 29.460 0.033 0.000 1.405 6 W HN 0.900 nan 8.180 nan 0.000 0.513 7 T N -2.099 112.632 114.554 0.295 0.000 3.067 7 T HA 0.274 4.624 4.350 0.000 0.000 0.257 7 T C 1.497 176.280 174.700 0.139 0.000 1.105 7 T CA 0.787 62.989 62.100 0.170 0.000 1.104 7 T CB -0.042 68.905 68.868 0.131 0.000 0.925 7 T HN 1.234 nan 8.240 nan 0.000 0.498 8 G N 1.293 110.185 108.800 0.154 0.000 2.194 8 G HA2 -0.040 3.920 3.960 0.000 0.000 0.236 8 G HA3 -0.040 3.920 3.960 0.000 0.000 0.236 8 G C 0.352 175.274 174.900 0.036 0.000 0.987 8 G CA -0.098 45.044 45.100 0.069 0.000 0.635 8 G HN 1.184 nan 8.290 nan 0.000 0.520 9 A N 0.656 123.511 122.820 0.058 0.000 2.462 9 A HA 0.632 4.952 4.320 0.000 0.000 0.243 9 A C 0.832 178.419 177.584 0.006 0.000 1.076 9 A CA 0.143 52.201 52.037 0.035 0.000 0.773 9 A CB 0.234 19.265 19.000 0.052 0.000 1.010 9 A HN 0.871 nan 8.150 nan 0.000 0.493 10 L N 2.090 123.305 121.223 -0.014 0.000 2.436 10 L HA 0.256 4.596 4.340 0.000 0.000 0.265 10 L C 0.092 176.939 176.870 -0.038 0.000 1.168 10 L CA -0.228 54.586 54.840 -0.044 0.000 0.815 10 L CB 0.680 42.718 42.059 -0.034 0.000 1.109 10 L HN 0.560 nan 8.230 nan 0.000 0.462 11 I N 1.914 122.442 120.570 -0.071 0.000 2.379 11 I HA 0.099 4.269 4.170 0.000 0.000 0.290 11 I C 0.441 176.543 176.117 -0.024 0.000 1.063 11 I CA 0.052 61.324 61.300 -0.047 0.000 1.351 11 I CB 0.877 38.828 38.000 -0.081 0.000 1.410 11 I HN 0.655 nan 8.210 nan 0.000 0.505 12 T N 4.412 118.964 114.554 -0.003 0.000 2.912 12 T HA 0.629 4.979 4.350 0.000 0.000 0.288 12 T C -2.578 172.134 174.700 0.019 0.000 1.030 12 T CA -2.141 59.962 62.100 0.005 0.000 1.020 12 T CB 1.923 70.794 68.868 0.005 0.000 1.056 12 T HN 0.171 nan 8.240 nan 0.000 0.480 13 P HA 0.319 nan 4.420 nan 0.000 0.277 13 P C 0.631 177.952 177.300 0.035 0.000 1.271 13 P CA -0.802 62.318 63.100 0.033 0.000 0.795 13 P CB 0.308 32.029 31.700 0.034 0.000 1.101 14 C N -2.408 116.917 119.300 0.042 0.000 3.243 14 C HA 0.860 5.320 4.460 0.000 0.000 0.286 14 C C 0.473 175.483 174.990 0.034 0.000 1.373 14 C CA -0.234 58.807 59.018 0.038 0.000 1.749 14 C CB -1.127 26.642 27.740 0.048 0.000 2.313 14 C HN 0.671 nan 8.230 nan 0.000 0.644 15 A N 0.256 123.098 122.820 0.037 0.000 2.566 15 A HA 0.782 5.102 4.320 0.000 0.000 0.290 15 A C -0.366 177.244 177.584 0.044 0.000 1.071 15 A CA 0.066 52.125 52.037 0.038 0.000 0.658 15 A CB -0.339 18.685 19.000 0.040 0.000 1.285 15 A HN 1.548 nan 8.150 nan 0.000 0.427 16 A N 0.166 123.014 122.820 0.047 0.000 2.531 16 A HA 0.494 4.814 4.320 0.000 0.000 0.236 16 A C 0.084 177.711 177.584 0.072 0.000 1.062 16 A CA 0.677 52.746 52.037 0.054 0.000 0.760 16 A CB -0.224 18.808 19.000 0.052 0.000 0.995 16 A HN 0.637 nan 8.150 nan 0.000 0.501 17 E N 1.143 121.392 120.200 0.081 0.000 2.199 17 E HA 0.328 4.678 4.350 0.000 0.000 0.265 17 E C -1.038 175.645 176.600 0.139 0.000 0.882 17 E CA -0.420 56.042 56.400 0.104 0.000 0.759 17 E CB 1.710 31.459 29.700 0.083 0.000 1.148 17 E HN 0.759 nan 8.360 nan 0.000 0.412 18 E N 1.041 121.369 120.200 0.213 0.000 2.216 18 E HA 0.159 4.509 4.350 0.000 0.000 0.279 18 E C 0.255 177.081 176.600 0.377 0.000 0.997 18 E CA -0.232 56.337 56.400 0.281 0.000 0.817 18 E CB 1.462 31.358 29.700 0.325 0.000 1.096 18 E HN 0.527 nan 8.360 nan 0.000 0.393 19 S N 1.999 117.891 115.700 0.321 0.000 2.506 19 S HA 0.078 4.548 4.470 0.000 0.000 0.219 19 S C 0.302 175.164 174.600 0.436 0.000 1.031 19 S CA -0.305 58.105 58.200 0.350 0.000 0.911 19 S CB 0.090 63.427 63.200 0.228 0.000 0.812 19 S HN 0.233 nan 8.310 nan 0.000 0.497 20 K N 1.932 122.522 120.400 0.318 0.000 2.201 20 K HA 0.493 4.813 4.320 0.000 0.000 0.278 20 K C -0.835 175.807 176.600 0.071 0.000 1.027 20 K CA -0.770 55.642 56.287 0.210 0.000 0.909 20 K CB 1.099 33.658 32.500 0.099 0.000 1.062 20 K HN 0.128 nan 8.250 nan 0.000 0.465 21 L N 4.975 126.238 121.223 0.066 0.000 2.660 21 L HA 0.059 4.399 4.340 0.000 0.000 0.272 21 L C -2.345 174.269 176.870 -0.427 0.000 1.194 21 L CA -1.082 53.601 54.840 -0.261 0.000 0.945 21 L CB -0.432 41.618 42.059 -0.014 0.000 1.212 21 L HN 0.497 nan 8.230 nan 0.000 0.490 22 P HA 0.194 nan 4.420 nan 0.000 0.271 22 P C -0.905 176.160 177.300 -0.391 0.000 1.220 22 P CA -0.084 62.728 63.100 -0.480 0.000 0.768 22 P CB 0.541 31.906 31.700 -0.558 0.000 0.848 23 I N 3.631 124.025 120.570 -0.292 0.000 2.377 23 I HA 0.336 4.506 4.170 0.000 0.000 0.293 23 I C 0.634 176.642 176.117 -0.183 0.000 0.987 23 I CA -0.628 60.503 61.300 -0.282 0.000 1.185 23 I CB 1.114 38.944 38.000 -0.283 0.000 1.341 23 I HN 0.466 nan 8.210 nan 0.000 0.455 24 N N 4.686 123.295 118.700 -0.152 0.000 3.201 24 N HA 0.454 5.194 4.740 0.000 0.000 0.344 24 N C 0.514 175.987 175.510 -0.063 0.000 1.465 24 N CA -0.370 52.621 53.050 -0.097 0.000 0.731 24 N CB 0.483 38.914 38.487 -0.094 0.000 1.677 24 N HN 0.372 nan 8.380 nan 0.000 0.631 25 A N -0.555 122.238 122.820 -0.044 0.000 2.067 25 A HA 0.105 4.425 4.320 0.000 0.000 0.219 25 A C 1.886 179.459 177.584 -0.017 0.000 1.158 25 A CA 0.950 52.971 52.037 -0.026 0.000 0.661 25 A CB -0.915 18.071 19.000 -0.023 0.000 0.801 25 A HN 0.544 nan 8.150 nan 0.000 0.452 26 L N -1.137 120.074 121.223 -0.020 0.000 2.477 26 L HA 0.016 4.356 4.340 0.000 0.000 0.220 26 L C 2.486 179.389 176.870 0.054 0.000 1.106 26 L CA 0.546 55.390 54.840 0.008 0.000 0.851 26 L CB -0.224 41.821 42.059 -0.024 0.000 0.994 26 L HN 0.213 nan 8.230 nan 0.000 0.462 27 S N 0.745 116.450 115.700 0.007 0.000 2.359 27 S HA -0.171 4.299 4.470 0.000 0.000 0.223 27 S C 1.681 176.329 174.600 0.080 0.000 1.039 27 S CA 1.637 59.839 58.200 0.003 0.000 1.042 27 S CB -0.316 62.808 63.200 -0.127 0.000 0.915 27 S HN 0.459 nan 8.310 nan 0.000 0.439 28 N N 1.382 120.143 118.700 0.100 0.000 2.453 28 N HA -0.024 4.716 4.740 0.000 0.000 0.183 28 N C 1.786 177.330 175.510 0.056 0.000 1.041 28 N CA 1.021 54.145 53.050 0.123 0.000 0.900 28 N CB -0.421 38.127 38.487 0.101 0.000 0.961 28 N HN 0.584 nan 8.380 nan 0.000 0.443 29 S N -0.605 115.128 115.700 0.055 0.000 2.481 29 S HA -0.019 4.451 4.470 0.000 0.000 0.231 29 S C 1.730 176.380 174.600 0.082 0.000 0.996 29 S CA 0.351 58.568 58.200 0.029 0.000 0.942 29 S CB -0.067 63.169 63.200 0.060 0.000 0.768 29 S HN 0.195 nan 8.310 nan 0.000 0.520 30 L N -0.187 121.097 121.223 0.101 0.000 2.347 30 L HA 0.603 4.943 4.340 0.000 0.000 0.196 30 L C 0.104 177.034 176.870 0.100 0.000 1.072 30 L CA 0.841 55.736 54.840 0.091 0.000 0.817 30 L CB 0.237 42.132 42.059 -0.274 0.000 1.029 30 L HN 0.477 nan 8.230 nan 0.000 0.478 31 L N -0.872 120.396 121.223 0.076 0.000 2.516 31 L HA 0.371 4.711 4.340 0.000 0.000 0.267 31 L C 0.457 177.380 176.870 0.087 0.000 0.957 31 L CA -0.293 54.590 54.840 0.070 0.000 0.860 31 L CB 1.611 43.732 42.059 0.104 0.000 1.265 31 L HN -0.003 nan 8.230 nan 0.000 0.403 32 R N 1.059 121.492 120.500 -0.110 0.000 2.128 32 R HA 0.169 4.509 4.340 0.000 0.000 0.211 32 R C 0.048 176.104 176.300 -0.407 0.000 1.067 32 R CA 0.310 56.239 56.100 -0.285 0.000 1.010 32 R CB 0.152 30.304 30.300 -0.246 0.000 0.922 32 R HN 0.615 nan 8.270 nan 0.000 0.457 33 H N 0.600 119.572 119.070 -0.164 0.000 3.045 33 H HA 0.057 4.613 4.556 0.000 0.000 0.254 33 H C 0.378 175.712 175.328 0.009 0.000 1.747 33 H CA -0.307 55.679 56.048 -0.104 0.000 1.444 33 H CB 0.039 29.790 29.762 -0.019 0.000 1.778 33 H HN 0.365 nan 8.280 nan 0.000 0.544 34 H N 0.638 119.801 119.070 0.154 0.000 2.457 34 H HA -0.101 4.455 4.556 0.000 0.000 0.294 34 H C 1.360 176.764 175.328 0.126 0.000 1.064 34 H CA 0.337 56.451 56.048 0.111 0.000 1.330 34 H CB 0.398 30.200 29.762 0.067 0.000 1.395 34 H HN 0.504 nan 8.280 nan 0.000 0.541 35 N N 0.289 119.118 118.700 0.215 0.000 2.515 35 N HA -0.035 4.705 4.740 0.000 0.000 0.185 35 N C 1.263 176.877 175.510 0.173 0.000 1.109 35 N CA 0.606 53.755 53.050 0.164 0.000 0.903 35 N CB 0.112 38.656 38.487 0.096 0.000 0.969 35 N HN 0.482 nan 8.380 nan 0.000 0.450 36 M N -0.181 119.536 119.600 0.195 0.000 2.506 36 M HA 0.056 4.536 4.480 0.000 0.000 0.260 36 M C 0.105 176.577 176.300 0.286 0.000 1.104 36 M CA 0.495 55.919 55.300 0.207 0.000 1.112 36 M CB 0.489 33.200 32.600 0.185 0.000 1.401 36 M HN -0.231 nan 8.290 nan 0.000 0.473 37 V N 0.708 120.800 119.914 0.297 0.000 2.532 37 V HA 0.377 4.497 4.120 0.000 0.000 0.295 37 V C -0.798 175.553 176.094 0.428 0.000 1.041 37 V CA -0.725 61.760 62.300 0.308 0.000 0.926 37 V CB 1.082 33.067 31.823 0.269 0.000 0.992 37 V HN 0.339 nan 8.190 nan 0.000 0.457 38 Y N 1.875 122.334 120.300 0.266 0.000 2.609 38 Y HA 0.883 5.433 4.550 0.000 0.000 0.336 38 Y C -0.564 175.426 175.900 0.151 0.000 1.129 38 Y CA -1.365 56.896 58.100 0.269 0.000 1.040 38 Y CB 1.357 39.931 38.460 0.189 0.000 1.310 38 Y HN 0.731 nan 8.280 nan 0.000 0.460 39 A N 1.677 124.589 122.820 0.153 0.000 2.330 39 A HA 0.681 5.001 4.320 0.000 0.000 0.327 39 A C 0.009 177.689 177.584 0.161 0.000 1.155 39 A CA -0.321 51.608 52.037 -0.180 0.000 0.803 39 A CB 0.456 19.114 19.000 -0.570 0.000 1.208 39 A HN 1.118 nan 8.150 nan 0.000 0.477 40 T N 0.042 114.685 114.554 0.148 0.000 2.898 40 T HA 0.560 4.910 4.350 0.000 0.000 0.301 40 T C 0.384 175.147 174.700 0.106 0.000 1.049 40 T CA 0.409 62.632 62.100 0.204 0.000 1.095 40 T CB 0.770 69.763 68.868 0.208 0.000 0.976 40 T HN 1.495 nan 8.240 nan 0.000 0.539 41 T N -2.079 112.534 114.554 0.098 0.000 2.838 41 T HA 0.479 4.829 4.350 0.000 0.000 0.292 41 T C 1.258 175.986 174.700 0.047 0.000 1.113 41 T CA -0.237 61.904 62.100 0.068 0.000 1.008 41 T CB 1.248 70.162 68.868 0.077 0.000 1.259 41 T HN 0.816 nan 8.240 nan 0.000 0.520 42 S N -0.182 115.538 115.700 0.034 0.000 2.547 42 S HA -0.060 4.410 4.470 0.000 0.000 0.235 42 S C 1.697 176.296 174.600 -0.003 0.000 0.980 42 S CA 0.198 58.405 58.200 0.012 0.000 0.941 42 S CB -0.658 62.549 63.200 0.011 0.000 0.763 42 S HN 0.706 nan 8.310 nan 0.000 0.532 43 R N 1.427 121.933 120.500 0.010 0.000 2.193 43 R HA -0.021 4.319 4.340 0.000 0.000 0.229 43 R C 2.089 178.381 176.300 -0.014 0.000 1.110 43 R CA 1.412 57.512 56.100 -0.001 0.000 0.988 43 R CB -0.344 29.963 30.300 0.012 0.000 0.871 43 R HN 0.723 nan 8.270 nan 0.000 0.458 44 S N -0.894 114.802 115.700 -0.007 0.000 2.556 44 S HA 0.206 4.676 4.470 0.000 0.000 0.216 44 S C 1.774 176.348 174.600 -0.043 0.000 0.970 44 S CA 0.196 58.385 58.200 -0.020 0.000 0.912 44 S CB 0.840 64.041 63.200 0.002 0.000 0.790 44 S HN 0.257 nan 8.310 nan 0.000 0.504 45 A N 2.185 124.970 122.820 -0.058 0.000 1.940 45 A HA 0.160 4.480 4.320 0.000 0.000 0.219 45 A C 2.294 179.776 177.584 -0.169 0.000 1.176 45 A CA 1.549 53.526 52.037 -0.100 0.000 0.631 45 A CB -1.699 17.237 19.000 -0.107 0.000 0.814 45 A HN 0.651 nan 8.150 nan 0.000 0.446 46 G N -0.150 108.550 108.800 -0.167 0.000 2.442 46 G HA2 -0.201 3.759 3.960 0.000 0.000 0.219 46 G HA3 -0.201 3.759 3.960 0.000 0.000 0.219 46 G C 1.520 176.330 174.900 -0.151 0.000 1.141 46 G CA 1.085 46.066 45.100 -0.198 0.000 0.763 46 G HN 0.457 nan 8.290 nan 0.000 0.554 47 L N -0.413 120.753 121.223 -0.095 0.000 2.056 47 L HA -0.017 4.323 4.340 0.000 0.000 0.207 47 L C 2.919 179.759 176.870 -0.050 0.000 1.078 47 L CA 1.192 55.996 54.840 -0.060 0.000 0.749 47 L CB -0.355 41.679 42.059 -0.040 0.000 0.901 47 L HN 0.159 nan 8.230 nan 0.000 0.433 48 R N 0.613 121.076 120.500 -0.062 0.000 2.081 48 R HA -0.164 4.176 4.340 0.000 0.000 0.235 48 R C 2.232 178.498 176.300 -0.058 0.000 1.131 48 R CA 1.572 57.650 56.100 -0.037 0.000 0.960 48 R CB -0.449 29.830 30.300 -0.035 0.000 0.856 48 R HN 0.358 nan 8.270 nan 0.000 0.436 49 Q N 0.064 119.751 119.800 -0.188 0.000 2.077 49 Q HA -0.215 4.125 4.340 0.000 0.000 0.206 49 Q C 2.030 178.006 176.000 -0.040 0.000 0.989 49 Q CA 2.275 57.902 55.803 -0.292 0.000 0.853 49 Q CB -0.148 28.113 28.738 -0.795 0.000 0.907 49 Q HN 0.329 nan 8.270 nan 0.000 0.418 50 K N 0.548 120.926 120.400 -0.037 0.000 2.057 50 K HA -0.133 4.187 4.320 0.000 0.000 0.207 50 K C 2.021 178.708 176.600 0.146 0.000 1.049 50 K CA 1.140 57.465 56.287 0.065 0.000 0.931 50 K CB 0.030 32.547 32.500 0.028 0.000 0.714 50 K HN 0.095 nan 8.250 nan 0.000 0.440 51 K N 0.506 120.980 120.400 0.124 0.000 2.057 51 K HA -0.085 4.235 4.320 0.000 0.000 0.206 51 K C 1.973 178.770 176.600 0.328 0.000 1.050 51 K CA 1.562 57.957 56.287 0.181 0.000 0.935 51 K CB -0.029 32.545 32.500 0.123 0.000 0.715 51 K HN 0.141 nan 8.250 nan 0.000 0.439 52 V N -1.073 119.015 119.914 0.289 0.000 3.623 52 V HA 0.056 4.176 4.120 0.000 0.000 0.271 52 V C 0.359 176.629 176.094 0.293 0.000 1.248 52 V CA 0.256 62.767 62.300 0.350 0.000 1.156 52 V CB -0.206 31.770 31.823 0.255 0.000 0.870 52 V HN -0.036 nan 8.190 nan 0.000 0.453 53 T N 4.308 119.069 114.554 0.345 0.000 2.801 53 T HA 0.719 5.069 4.350 0.000 0.000 0.306 53 T C -0.746 174.128 174.700 0.290 0.000 1.020 53 T CA -0.067 62.209 62.100 0.292 0.000 0.948 53 T CB 0.189 69.318 68.868 0.435 0.000 0.962 53 T HN 0.614 nan 8.240 nan 0.000 0.465 54 F N -0.234 119.823 119.950 0.177 0.000 2.741 54 F HA 0.696 5.223 4.527 0.000 0.000 0.313 54 F C -1.041 174.810 175.800 0.085 0.000 1.153 54 F CA -1.706 56.363 58.000 0.115 0.000 0.931 54 F CB 0.704 39.763 39.000 0.098 0.000 1.335 54 F HN 0.168 nan 8.300 nan 0.000 0.460 55 D N 0.670 121.268 120.400 0.331 0.000 2.304 55 D HA 0.443 5.083 4.640 0.000 0.000 0.250 55 D C -0.923 175.546 176.300 0.282 0.000 1.107 55 D CA -0.065 54.065 54.000 0.217 0.000 0.885 55 D CB 0.926 41.827 40.800 0.168 0.000 1.192 55 D HN 0.549 nan 8.370 nan 0.000 0.436 56 R N 2.513 123.122 120.500 0.182 0.000 2.343 56 R HA 0.511 4.851 4.340 0.000 0.000 0.320 56 R C -0.966 175.357 176.300 0.038 0.000 0.956 56 R CA -0.680 55.503 56.100 0.138 0.000 0.836 56 R CB 0.921 31.269 30.300 0.079 0.000 1.151 56 R HN 0.285 nan 8.270 nan 0.000 0.450 57 L N 2.270 123.502 121.223 0.015 0.000 2.329 57 L HA 0.505 4.845 4.340 0.000 0.000 0.279 57 L C -0.231 176.601 176.870 -0.063 0.000 1.014 57 L CA -0.283 54.523 54.840 -0.056 0.000 0.814 57 L CB 1.678 43.724 42.059 -0.022 0.000 1.257 57 L HN 0.508 nan 8.230 nan 0.000 0.424 58 Q N 1.638 121.372 119.800 -0.110 0.000 2.337 58 Q HA 0.703 5.043 4.340 0.000 0.000 0.270 58 Q C -1.546 174.395 176.000 -0.098 0.000 1.043 58 Q CA -0.575 55.171 55.803 -0.094 0.000 0.794 58 Q CB 3.046 31.704 28.738 -0.133 0.000 1.281 58 Q HN 0.402 nan 8.270 nan 0.000 0.446 59 V N 4.840 124.721 119.914 -0.055 0.000 2.376 59 V HA 0.423 4.543 4.120 0.000 0.000 0.287 59 V C -0.624 175.466 176.094 -0.008 0.000 1.015 59 V CA -0.578 61.694 62.300 -0.047 0.000 0.834 59 V CB 1.297 33.099 31.823 -0.035 0.000 1.001 59 V HN 0.636 nan 8.190 nan 0.000 0.428 60 L N 5.667 126.825 121.223 -0.107 0.000 2.287 60 L HA 0.624 4.964 4.340 0.000 0.000 0.287 60 L C -0.214 176.635 176.870 -0.035 0.000 1.022 60 L CA -0.542 54.169 54.840 -0.215 0.000 0.814 60 L CB 1.591 43.330 42.059 -0.534 0.000 1.217 60 L HN 0.712 nan 8.230 nan 0.000 0.420 61 D N 0.352 120.812 120.400 0.100 0.000 2.616 61 D HA 0.159 4.799 4.640 0.000 0.000 0.260 61 D C 0.280 176.632 176.300 0.086 0.000 1.158 61 D CA -0.631 53.423 54.000 0.090 0.000 1.085 61 D CB 0.833 41.702 40.800 0.115 0.000 1.222 61 D HN 0.282 nan 8.370 nan 0.000 0.626 62 D N -1.301 119.093 120.400 -0.010 0.000 2.144 62 D HA -0.140 4.500 4.640 0.000 0.000 0.200 62 D C 1.746 178.042 176.300 -0.007 0.000 0.978 62 D CA 1.001 54.976 54.000 -0.042 0.000 0.833 62 D CB -0.116 40.611 40.800 -0.120 0.000 0.961 62 D HN 0.404 nan 8.370 nan 0.000 0.470 63 H N 0.005 119.133 119.070 0.095 0.000 2.319 63 H HA -0.192 4.364 4.556 0.000 0.000 0.297 63 H C 2.037 177.398 175.328 0.054 0.000 1.097 63 H CA 1.121 57.221 56.048 0.087 0.000 1.285 63 H CB -0.793 29.050 29.762 0.136 0.000 1.368 63 H HN 0.340 nan 8.280 nan 0.000 0.495 64 Y N 1.671 121.992 120.300 0.035 0.000 2.145 64 Y HA -0.185 4.365 4.550 0.000 0.000 0.286 64 Y C 2.680 178.514 175.900 -0.111 0.000 1.145 64 Y CA 1.556 59.549 58.100 -0.179 0.000 1.148 64 Y CB -0.059 38.160 38.460 -0.401 0.000 0.981 64 Y HN -0.040 nan 8.280 nan 0.000 0.507 65 R N -0.023 120.526 120.500 0.080 0.000 2.115 65 R HA -0.118 4.222 4.340 0.000 0.000 0.226 65 R C 1.717 177.987 176.300 -0.050 0.000 1.100 65 R CA 1.235 57.336 56.100 0.002 0.000 0.980 65 R CB -0.254 30.084 30.300 0.064 0.000 0.875 65 R HN 0.390 nan 8.270 nan 0.000 0.445 66 D N 0.268 120.659 120.400 -0.014 0.000 2.092 66 D HA -0.143 4.497 4.640 0.000 0.000 0.193 66 D C 1.986 178.264 176.300 -0.038 0.000 0.994 66 D CA 1.212 55.209 54.000 -0.006 0.000 0.828 66 D CB -0.344 40.484 40.800 0.047 0.000 0.963 66 D HN -0.038 nan 8.370 nan 0.000 0.450 67 V N 1.063 120.936 119.914 -0.068 0.000 2.287 67 V HA -0.229 3.892 4.120 0.000 0.000 0.248 67 V C 2.520 178.534 176.094 -0.134 0.000 1.053 67 V CA 1.222 63.459 62.300 -0.105 0.000 1.027 67 V CB -0.572 31.156 31.823 -0.159 0.000 0.646 67 V HN 0.131 nan 8.190 nan 0.000 0.447 68 L N 0.483 121.559 121.223 -0.245 0.000 1.990 68 L HA -0.236 4.104 4.340 0.000 0.000 0.213 68 L C 2.470 179.270 176.870 -0.117 0.000 1.072 68 L CA 2.381 57.083 54.840 -0.231 0.000 0.755 68 L CB -0.875 40.980 42.059 -0.340 0.000 0.889 68 L HN 0.283 nan 8.230 nan 0.000 0.432 69 K N -0.585 119.764 120.400 -0.085 0.000 2.074 69 K HA -0.259 4.061 4.320 0.000 0.000 0.209 69 K C 1.937 178.518 176.600 -0.033 0.000 1.048 69 K CA 2.212 58.471 56.287 -0.047 0.000 0.926 69 K CB -0.141 32.341 32.500 -0.030 0.000 0.713 69 K HN 0.554 nan 8.250 nan 0.000 0.444 70 E N 0.009 120.194 120.200 -0.026 0.000 2.072 70 E HA -0.174 4.176 4.350 0.000 0.000 0.191 70 E C 2.119 178.719 176.600 -0.000 0.000 0.985 70 E CA 1.464 57.861 56.400 -0.005 0.000 0.801 70 E CB -0.072 29.634 29.700 0.010 0.000 0.750 70 E HN 0.346 nan 8.360 nan 0.000 0.452 71 M N 0.727 120.325 119.600 -0.003 0.000 2.086 71 M HA -0.188 4.292 4.480 0.000 0.000 0.261 71 M C 2.137 178.419 176.300 -0.031 0.000 1.067 71 M CA 1.567 56.865 55.300 -0.003 0.000 1.116 71 M CB -0.224 32.376 32.600 -0.000 0.000 1.348 71 M HN -0.059 nan 8.290 nan 0.000 0.407 72 K N 0.332 120.708 120.400 -0.041 0.000 2.147 72 K HA -0.084 4.236 4.320 0.000 0.000 0.205 72 K C 2.095 178.680 176.600 -0.024 0.000 1.049 72 K CA 1.353 57.617 56.287 -0.037 0.000 0.936 72 K CB -0.284 32.192 32.500 -0.041 0.000 0.722 72 K HN 0.311 nan 8.250 nan 0.000 0.446 73 A N 1.824 124.632 122.820 -0.019 0.000 1.933 73 A HA -0.194 4.126 4.320 0.000 0.000 0.218 73 A C 1.863 179.439 177.584 -0.013 0.000 1.175 73 A CA 1.482 53.511 52.037 -0.012 0.000 0.628 73 A CB -0.226 18.770 19.000 -0.007 0.000 0.814 73 A HN 0.184 nan 8.150 nan 0.000 0.444 74 K N -0.369 120.021 120.400 -0.016 0.000 2.057 74 K HA 0.017 4.337 4.320 0.000 0.000 0.206 74 K C 2.272 178.854 176.600 -0.031 0.000 1.050 74 K CA 0.997 57.269 56.287 -0.024 0.000 0.935 74 K CB -0.305 32.177 32.500 -0.030 0.000 0.715 74 K HN 0.414 nan 8.250 nan 0.000 0.439 75 A N 1.566 124.366 122.820 -0.033 0.000 2.019 75 A HA -0.174 4.146 4.320 0.000 0.000 0.219 75 A C 2.106 179.682 177.584 -0.013 0.000 1.164 75 A CA 2.039 54.060 52.037 -0.027 0.000 0.644 75 A CB -0.656 18.330 19.000 -0.024 0.000 0.805 75 A HN 0.401 nan 8.150 nan 0.000 0.449 76 S N -0.251 115.442 115.700 -0.011 0.000 2.507 76 S HA -0.121 4.349 4.470 0.000 0.000 0.235 76 S C 1.651 176.248 174.600 -0.004 0.000 0.988 76 S CA 1.658 59.856 58.200 -0.004 0.000 0.944 76 S CB -1.100 62.097 63.200 -0.004 0.000 0.762 76 S HN 0.792 nan 8.310 nan 0.000 0.526 77 T N -0.817 113.732 114.554 -0.009 0.000 3.081 77 T HA 0.272 4.622 4.350 0.000 0.000 0.255 77 T C 0.508 175.202 174.700 -0.010 0.000 1.113 77 T CA -0.130 61.965 62.100 -0.008 0.000 1.082 77 T CB -0.469 68.392 68.868 -0.011 0.000 0.939 77 T HN 0.179 nan 8.240 nan 0.000 0.506 78 V N 2.088 121.994 119.914 -0.012 0.000 2.555 78 V HA 0.330 4.450 4.120 0.000 0.000 0.286 78 V C 0.201 176.293 176.094 -0.003 0.000 1.044 78 V CA -0.670 61.621 62.300 -0.014 0.000 1.026 78 V CB 1.030 32.840 31.823 -0.022 0.000 0.981 78 V HN 0.384 nan 8.190 nan 0.000 0.480 79 K N 3.751 124.150 120.400 -0.003 0.000 2.307 79 K HA 0.731 5.051 4.320 0.000 0.000 0.263 79 K C -0.564 176.039 176.600 0.005 0.000 0.973 79 K CA -0.380 55.910 56.287 0.005 0.000 0.846 79 K CB 1.336 33.840 32.500 0.007 0.000 1.100 79 K HN 0.841 nan 8.250 nan 0.000 0.438 80 A N 4.083 126.910 122.820 0.011 0.000 2.355 80 A HA 0.521 4.841 4.320 0.000 0.000 0.324 80 A C -1.146 176.453 177.584 0.025 0.000 1.117 80 A CA -0.883 51.161 52.037 0.011 0.000 0.785 80 A CB 0.976 19.976 19.000 0.001 0.000 1.254 80 A HN 0.849 nan 8.150 nan 0.000 0.453 81 K N 1.257 121.674 120.400 0.030 0.000 2.238 81 K HA 0.727 5.047 4.320 0.000 0.000 0.239 81 K C -1.228 175.398 176.600 0.043 0.000 0.987 81 K CA -0.769 55.539 56.287 0.035 0.000 0.857 81 K CB 1.058 33.576 32.500 0.029 0.000 1.154 81 K HN 0.361 nan 8.250 nan 0.000 0.439 82 L N 2.361 123.606 121.223 0.036 0.000 2.349 82 L HA 0.264 4.604 4.340 0.000 0.000 0.275 82 L C -0.591 176.268 176.870 -0.018 0.000 1.115 82 L CA -0.531 54.320 54.840 0.019 0.000 0.820 82 L CB 0.734 42.802 42.059 0.016 0.000 1.135 82 L HN 0.632 nan 8.230 nan 0.000 0.445 83 L N 2.637 123.833 121.223 -0.046 0.000 2.375 83 L HA 0.366 4.706 4.340 0.000 0.000 0.271 83 L C 0.691 177.472 176.870 -0.149 0.000 1.107 83 L CA 0.295 55.090 54.840 -0.075 0.000 0.806 83 L CB 1.303 43.316 42.059 -0.076 0.000 1.146 83 L HN 0.841 nan 8.230 nan 0.000 0.447 84 S N 1.690 117.313 115.700 -0.128 0.000 2.596 84 S HA 0.183 4.653 4.470 0.000 0.000 0.260 84 S C 1.261 175.743 174.600 -0.196 0.000 1.336 84 S CA -0.569 57.540 58.200 -0.151 0.000 0.993 84 S CB 0.684 63.823 63.200 -0.101 0.000 0.923 84 S HN 0.331 nan 8.310 nan 0.000 0.567 85 V N 1.504 121.293 119.914 -0.208 0.000 2.295 85 V HA -0.143 3.977 4.120 0.000 0.000 0.246 85 V C 2.783 178.765 176.094 -0.187 0.000 1.049 85 V CA 2.175 64.329 62.300 -0.244 0.000 1.024 85 V CB -1.233 30.413 31.823 -0.295 0.000 0.648 85 V HN 0.904 nan 8.190 nan 0.000 0.447 86 E N -0.080 120.034 120.200 -0.142 0.000 2.097 86 E HA -0.297 4.053 4.350 0.000 0.000 0.196 86 E C 2.229 178.754 176.600 -0.125 0.000 1.000 86 E CA 1.785 58.114 56.400 -0.117 0.000 0.804 86 E CB -0.170 29.479 29.700 -0.086 0.000 0.740 86 E HN 0.698 nan 8.360 nan 0.000 0.454 87 E N 0.326 120.448 120.200 -0.130 0.000 2.072 87 E HA -0.158 4.192 4.350 0.000 0.000 0.191 87 E C 2.055 178.535 176.600 -0.200 0.000 0.985 87 E CA 0.862 57.175 56.400 -0.145 0.000 0.801 87 E CB -0.086 29.538 29.700 -0.127 0.000 0.750 87 E HN 0.221 nan 8.360 nan 0.000 0.452 88 A N 0.706 123.405 122.820 -0.202 0.000 1.898 88 A HA -0.185 4.135 4.320 0.000 0.000 0.216 88 A C 2.421 179.889 177.584 -0.193 0.000 1.181 88 A CA 1.150 53.056 52.037 -0.217 0.000 0.620 88 A CB -0.843 18.042 19.000 -0.192 0.000 0.819 88 A HN 0.361 nan 8.150 nan 0.000 0.442 89 C N -0.184 119.016 119.300 -0.166 0.000 2.413 89 C HA -0.067 4.393 4.460 0.000 0.000 0.276 89 C C 2.541 177.446 174.990 -0.142 0.000 1.236 89 C CA 1.212 60.146 59.018 -0.140 0.000 1.735 89 C CB -0.774 26.888 27.740 -0.129 0.000 2.031 89 C HN 0.479 nan 8.230 nan 0.000 0.474 90 K N 0.858 121.174 120.400 -0.140 0.000 2.442 90 K HA 0.074 4.394 4.320 0.000 0.000 0.198 90 K C 1.441 177.961 176.600 -0.134 0.000 1.042 90 K CA 0.802 57.019 56.287 -0.118 0.000 0.958 90 K CB -0.397 32.047 32.500 -0.093 0.000 0.766 90 K HN 0.555 nan 8.250 nan 0.000 0.474 91 L N 0.791 121.882 121.223 -0.219 0.000 2.591 91 L HA 0.016 4.356 4.340 0.000 0.000 0.228 91 L C 0.396 177.129 176.870 -0.228 0.000 1.133 91 L CA 0.177 54.835 54.840 -0.303 0.000 0.880 91 L CB -0.127 41.633 42.059 -0.499 0.000 1.033 91 L HN -0.119 nan 8.230 nan 0.000 0.450 92 T N 1.951 116.393 114.554 -0.186 0.000 2.794 92 T HA 0.198 4.548 4.350 0.000 0.000 0.296 92 T C -2.320 172.221 174.700 -0.265 0.000 0.949 92 T CA -1.134 60.857 62.100 -0.181 0.000 1.101 92 T CB 0.881 69.663 68.868 -0.143 0.000 0.905 92 T HN -0.139 nan 8.240 nan 0.000 0.516 93 P HA 0.115 nan 4.420 nan 0.000 0.265 93 P C -1.893 175.104 177.300 -0.504 0.000 1.193 93 P CA -1.342 61.485 63.100 -0.455 0.000 0.765 93 P CB 0.135 31.716 31.700 -0.198 0.000 0.823 94 P HA -0.184 nan 4.420 nan 0.000 0.217 94 P C 0.375 177.294 177.300 -0.634 0.000 1.151 94 P CA 1.795 64.493 63.100 -0.670 0.000 0.849 94 P CB -0.252 30.970 31.700 -0.795 0.000 0.787 95 H N -2.477 116.473 119.070 -0.199 0.000 2.487 95 H HA 0.288 4.844 4.556 0.000 0.000 0.290 95 H C 0.490 175.746 175.328 -0.120 0.000 1.081 95 H CA -0.367 55.605 56.048 -0.127 0.000 1.116 95 H CB -0.139 29.566 29.762 -0.095 0.000 1.560 95 H HN -0.018 nan 8.280 nan 0.000 0.548 96 S N 1.362 117.009 115.700 -0.089 0.000 2.558 96 S HA 0.279 4.750 4.470 0.000 0.000 0.288 96 S C 0.763 175.321 174.600 -0.071 0.000 1.318 96 S CA -0.503 57.640 58.200 -0.096 0.000 1.056 96 S CB 0.148 63.280 63.200 -0.113 0.000 0.853 96 S HN 0.552 nan 8.310 nan 0.000 0.505 97 A N 4.827 127.595 122.820 -0.087 0.000 2.580 97 A HA 0.164 4.484 4.320 0.000 0.000 0.244 97 A C 0.625 178.197 177.584 -0.021 0.000 1.045 97 A CA 0.115 52.130 52.037 -0.036 0.000 0.761 97 A CB -0.337 18.659 19.000 -0.006 0.000 0.962 97 A HN 0.869 nan 8.150 nan 0.000 0.512 98 K N 2.453 122.832 120.400 -0.035 0.000 2.286 98 K HA 0.283 4.603 4.320 0.000 0.000 0.256 98 K C 0.413 176.930 176.600 -0.138 0.000 0.999 98 K CA 0.165 56.397 56.287 -0.092 0.000 0.908 98 K CB 0.328 32.775 32.500 -0.087 0.000 0.981 98 K HN 0.448 nan 8.250 nan 0.000 0.500 99 S N 0.170 115.678 115.700 -0.321 0.000 2.585 99 S HA 0.055 4.525 4.470 0.000 0.000 0.273 99 S C 0.543 174.964 174.600 -0.299 0.000 1.339 99 S CA -0.536 57.446 58.200 -0.363 0.000 1.028 99 S CB 0.605 63.253 63.200 -0.920 0.000 0.906 99 S HN 0.668 nan 8.310 nan 0.000 0.528 100 K N 2.217 122.432 120.400 -0.307 0.000 2.504 100 K HA 0.028 4.349 4.320 0.000 0.000 0.195 100 K C -0.088 176.082 176.600 -0.718 0.000 1.036 100 K CA 0.962 56.941 56.287 -0.515 0.000 0.984 100 K CB -0.089 32.025 32.500 -0.644 0.000 0.788 100 K HN 0.593 nan 8.250 nan 0.000 0.488 101 F N 0.003 119.789 119.950 -0.274 0.000 2.750 101 F HA 0.270 4.797 4.527 0.000 0.000 0.297 101 F C 1.009 176.721 175.800 -0.146 0.000 1.138 101 F CA -0.423 57.428 58.000 -0.249 0.000 1.346 101 F CB 0.912 39.630 39.000 -0.469 0.000 0.965 101 F HN 0.043 nan 8.300 nan 0.000 0.514 102 G N 0.429 109.190 108.800 -0.065 0.000 2.142 102 G HA2 -0.278 3.682 3.960 0.000 0.000 0.225 102 G HA3 -0.278 3.682 3.960 0.000 0.000 0.225 102 G C -0.381 174.602 174.900 0.139 0.000 1.015 102 G CA 0.125 45.242 45.100 0.029 0.000 0.716 102 G HN 0.518 nan 8.290 nan 0.000 0.508 103 Y N -2.339 117.963 120.300 0.003 0.000 2.644 103 Y HA 0.842 5.392 4.550 0.000 0.000 0.338 103 Y C 0.456 176.359 175.900 0.005 0.000 1.119 103 Y CA -1.282 56.821 58.100 0.004 0.000 1.060 103 Y CB 0.681 39.148 38.460 0.011 0.000 1.294 103 Y HN 0.623 nan 8.280 nan 0.000 0.472 104 G N -0.398 108.467 108.800 0.109 0.000 3.108 104 G HA2 0.529 4.489 3.960 0.000 0.000 0.268 104 G HA3 0.529 4.489 3.960 0.000 0.000 0.268 104 G C 0.119 175.061 174.900 0.070 0.000 1.361 104 G CA -0.778 44.329 45.100 0.012 0.000 1.047 104 G HN 1.143 nan 8.290 nan 0.000 0.540 105 A N -0.619 122.191 122.820 -0.015 0.000 1.972 105 A HA 0.033 4.353 4.320 0.000 0.000 0.219 105 A C 2.125 179.657 177.584 -0.086 0.000 1.169 105 A CA 1.869 53.873 52.037 -0.056 0.000 0.635 105 A CB -0.292 18.631 19.000 -0.128 0.000 0.810 105 A HN 0.539 nan 8.150 nan 0.000 0.446 106 K N -0.266 120.082 120.400 -0.087 0.000 2.167 106 K HA -0.049 4.271 4.320 0.000 0.000 0.203 106 K C 1.270 177.842 176.600 -0.046 0.000 1.052 106 K CA 1.066 57.295 56.287 -0.096 0.000 0.956 106 K CB -0.030 32.408 32.500 -0.103 0.000 0.735 106 K HN 0.377 nan 8.250 nan 0.000 0.451 107 D N 0.370 120.774 120.400 0.007 0.000 2.117 107 D HA -0.143 4.497 4.640 0.000 0.000 0.197 107 D C 1.899 178.195 176.300 -0.007 0.000 0.987 107 D CA 1.034 55.049 54.000 0.024 0.000 0.829 107 D CB -0.197 40.669 40.800 0.109 0.000 0.961 107 D HN -0.070 nan 8.370 nan 0.000 0.460 108 V N 1.277 121.208 119.914 0.029 0.000 2.261 108 V HA -0.234 3.886 4.120 0.000 0.000 0.246 108 V C 2.537 178.589 176.094 -0.070 0.000 1.047 108 V CA 1.590 63.879 62.300 -0.017 0.000 1.015 108 V CB -0.360 31.485 31.823 0.036 0.000 0.642 108 V HN 0.132 nan 8.190 nan 0.000 0.446 109 R N 0.443 120.893 120.500 -0.084 0.000 2.105 109 R HA -0.132 4.208 4.340 0.000 0.000 0.239 109 R C 1.784 178.033 176.300 -0.085 0.000 1.135 109 R CA 1.531 57.567 56.100 -0.106 0.000 0.967 109 R CB -0.405 29.809 30.300 -0.145 0.000 0.861 109 R HN 0.529 nan 8.270 nan 0.000 0.442 110 N N 0.982 119.639 118.700 -0.072 0.000 2.461 110 N HA 0.034 4.774 4.740 0.000 0.000 0.188 110 N C 0.170 175.644 175.510 -0.061 0.000 1.134 110 N CA 0.328 53.342 53.050 -0.059 0.000 0.878 110 N CB 0.135 38.593 38.487 -0.048 0.000 0.972 110 N HN 0.169 nan 8.380 nan 0.000 0.456 111 L N 0.562 121.740 121.223 -0.076 0.000 3.678 111 L HA -0.218 4.122 4.340 0.000 0.000 0.425 111 L C 0.126 176.947 176.870 -0.081 0.000 1.240 111 L CA 0.001 54.789 54.840 -0.087 0.000 0.876 111 L CB -2.674 39.339 42.059 -0.076 0.000 1.766 111 L HN 0.146 nan 8.230 nan 0.000 0.917 112 S N -0.982 114.669 115.700 -0.082 0.000 2.549 112 S HA 0.307 4.777 4.470 0.000 0.000 0.283 112 S C 1.531 176.075 174.600 -0.093 0.000 1.320 112 S CA -0.088 58.069 58.200 -0.071 0.000 1.058 112 S CB 1.837 65.005 63.200 -0.053 0.000 0.882 112 S HN 0.579 nan 8.310 nan 0.000 0.498 113 S N 3.388 119.051 115.700 -0.061 0.000 2.380 113 S HA -0.312 4.158 4.470 0.000 0.000 0.229 113 S C 1.724 176.279 174.600 -0.076 0.000 1.043 113 S CA 1.617 59.786 58.200 -0.052 0.000 1.038 113 S CB -0.749 62.436 63.200 -0.025 0.000 0.872 113 S HN 0.906 nan 8.310 nan 0.000 0.456 114 K N 1.513 121.862 120.400 -0.086 0.000 2.057 114 K HA 0.058 4.378 4.320 0.000 0.000 0.206 114 K C 2.314 178.740 176.600 -0.289 0.000 1.050 114 K CA 1.116 57.342 56.287 -0.103 0.000 0.935 114 K CB -0.710 31.769 32.500 -0.035 0.000 0.715 114 K HN 0.465 nan 8.250 nan 0.000 0.439 115 A N 0.499 123.053 122.820 -0.443 0.000 1.855 115 A HA -0.098 4.222 4.320 0.000 0.000 0.215 115 A C 2.246 179.522 177.584 -0.513 0.000 1.191 115 A CA 1.673 53.191 52.037 -0.865 0.000 0.613 115 A CB -0.719 17.960 19.000 -0.534 0.000 0.829 115 A HN 0.165 nan 8.150 nan 0.000 0.442 116 V N 1.045 120.779 119.914 -0.301 0.000 2.515 116 V HA -0.220 3.900 4.120 0.000 0.000 0.250 116 V C 2.259 178.240 176.094 -0.188 0.000 1.058 116 V CA 1.967 64.106 62.300 -0.269 0.000 1.064 116 V CB -0.930 30.790 31.823 -0.172 0.000 0.675 116 V HN 0.538 nan 8.190 nan 0.000 0.461 117 N N -0.641 118.020 118.700 -0.064 0.000 2.142 117 N HA -0.173 4.567 4.740 0.000 0.000 0.186 117 N C 1.871 177.398 175.510 0.028 0.000 1.023 117 N CA 1.490 54.566 53.050 0.043 0.000 0.852 117 N CB -0.479 38.027 38.487 0.030 0.000 0.998 117 N HN 0.632 nan 8.380 nan 0.000 0.424 118 H N 0.899 119.882 119.070 -0.145 0.000 2.321 118 H HA -0.011 4.545 4.556 0.000 0.000 0.300 118 H C 2.129 177.410 175.328 -0.078 0.000 1.087 118 H CA 1.211 57.194 56.048 -0.108 0.000 1.319 118 H CB 0.031 29.751 29.762 -0.070 0.000 1.379 118 H HN 0.104 nan 8.280 nan 0.000 0.501 119 I N 0.532 120.969 120.570 -0.222 0.000 2.163 119 I HA -0.335 3.835 4.170 0.000 0.000 0.243 119 I C 2.625 178.643 176.117 -0.164 0.000 1.085 119 I CA 1.268 62.428 61.300 -0.235 0.000 1.347 119 I CB -0.463 37.378 38.000 -0.264 0.000 1.044 119 I HN 0.372 nan 8.210 nan 0.000 0.408 120 H N 0.343 119.367 119.070 -0.077 0.000 2.387 120 H HA -0.146 4.410 4.556 0.000 0.000 0.299 120 H C 2.615 177.951 175.328 0.013 0.000 1.099 120 H CA 1.914 57.956 56.048 -0.010 0.000 1.315 120 H CB -0.453 29.293 29.762 -0.027 0.000 1.380 120 H HN 0.438 nan 8.280 nan 0.000 0.513 121 S N 0.160 115.885 115.700 0.041 0.000 2.387 121 S HA -0.063 4.407 4.470 0.000 0.000 0.226 121 S C 2.352 176.900 174.600 -0.087 0.000 1.026 121 S CA 1.031 59.217 58.200 -0.024 0.000 0.972 121 S CB -0.725 62.445 63.200 -0.050 0.000 0.814 121 S HN 0.108 nan 8.310 nan 0.000 0.477 122 V N 0.838 120.637 119.914 -0.192 0.000 2.358 122 V HA -0.109 4.011 4.120 0.000 0.000 0.246 122 V C 2.231 178.324 176.094 -0.002 0.000 1.047 122 V CA 1.709 63.913 62.300 -0.160 0.000 1.035 122 V CB -1.089 30.602 31.823 -0.219 0.000 0.658 122 V HN 0.697 nan 8.190 nan 0.000 0.452 123 W N 1.499 122.734 121.300 -0.107 0.000 2.354 123 W HA -0.252 4.408 4.660 0.000 0.000 0.315 123 W C 2.563 179.059 176.519 -0.037 0.000 1.206 123 W CA 2.330 59.644 57.345 -0.052 0.000 1.290 123 W CB -0.145 29.306 29.460 -0.015 0.000 1.152 123 W HN 0.235 nan 8.180 nan 0.000 0.489 124 K N 0.598 121.038 120.400 0.066 0.000 2.044 124 K HA -0.302 4.018 4.320 0.000 0.000 0.210 124 K C 1.774 178.301 176.600 -0.120 0.000 1.049 124 K CA 2.461 58.724 56.287 -0.038 0.000 0.927 124 K CB -0.696 31.822 32.500 0.029 0.000 0.713 124 K HN 0.040 nan 8.250 nan 0.000 0.443 125 D N 0.058 120.399 120.400 -0.097 0.000 2.144 125 D HA -0.148 4.492 4.640 0.000 0.000 0.199 125 D C 1.945 178.155 176.300 -0.149 0.000 0.984 125 D CA 0.984 54.921 54.000 -0.104 0.000 0.834 125 D CB 0.040 40.790 40.800 -0.083 0.000 0.955 125 D HN 0.243 nan 8.370 nan 0.000 0.465 126 L N -0.121 120.977 121.223 -0.208 0.000 2.079 126 L HA -0.151 4.190 4.340 0.000 0.000 0.210 126 L C 2.363 179.046 176.870 -0.312 0.000 1.081 126 L CA 0.726 55.403 54.840 -0.272 0.000 0.752 126 L CB -0.280 41.558 42.059 -0.367 0.000 0.896 126 L HN 0.250 nan 8.230 nan 0.000 0.433 127 L N -1.213 119.789 121.223 -0.369 0.000 2.209 127 L HA -0.077 4.264 4.340 0.000 0.000 0.207 127 L C 2.450 179.213 176.870 -0.177 0.000 1.094 127 L CA 0.578 55.232 54.840 -0.310 0.000 0.790 127 L CB -0.313 41.542 42.059 -0.341 0.000 0.932 127 L HN 0.221 nan 8.230 nan 0.000 0.447 128 E N -0.557 119.555 120.200 -0.146 0.000 2.230 128 E HA -0.028 4.322 4.350 0.000 0.000 0.192 128 E C 0.116 176.668 176.600 -0.080 0.000 0.987 128 E CA 0.509 56.852 56.400 -0.094 0.000 0.841 128 E CB 0.187 29.843 29.700 -0.073 0.000 0.783 128 E HN 0.242 nan 8.360 nan 0.000 0.481 129 D N -0.127 120.218 120.400 -0.091 0.000 2.696 129 D HA 0.092 4.732 4.640 0.000 0.000 0.251 129 D C -0.092 176.160 176.300 -0.081 0.000 1.188 129 D CA -0.300 53.657 54.000 -0.071 0.000 0.876 129 D CB 1.401 42.165 40.800 -0.060 0.000 1.334 129 D HN -0.094 nan 8.370 nan 0.000 0.540 130 T N 0.267 114.782 114.554 -0.064 0.000 3.200 130 T HA 0.244 4.594 4.350 0.000 0.000 0.284 130 T C 0.913 175.586 174.700 -0.045 0.000 1.009 130 T CA -0.060 62.002 62.100 -0.064 0.000 0.907 130 T CB 0.133 68.966 68.868 -0.059 0.000 1.120 130 T HN 0.136 nan 8.240 nan 0.000 0.534 131 V N 0.319 120.211 119.914 -0.037 0.000 3.250 131 V HA 0.212 4.332 4.120 0.000 0.000 0.240 131 V C 0.982 177.068 176.094 -0.013 0.000 1.275 131 V CA 0.295 62.582 62.300 -0.022 0.000 1.206 131 V CB 0.172 31.984 31.823 -0.018 0.000 0.976 131 V HN 0.449 nan 8.190 nan 0.000 0.467 132 T N 4.294 118.838 114.554 -0.016 0.000 2.769 132 T HA 0.245 4.595 4.350 0.000 0.000 0.293 132 T C -2.439 172.262 174.700 0.002 0.000 0.931 132 T CA -0.663 61.435 62.100 -0.002 0.000 1.139 132 T CB 0.781 69.647 68.868 -0.004 0.000 0.881 132 T HN 0.185 nan 8.240 nan 0.000 0.532 133 P HA 0.196 nan 4.420 nan 0.000 0.268 133 P C -0.201 177.100 177.300 0.003 0.000 1.205 133 P CA -0.278 62.835 63.100 0.022 0.000 0.771 133 P CB 0.412 32.166 31.700 0.089 0.000 0.858 134 I N 2.007 122.560 120.570 -0.028 0.000 2.440 134 I HA 0.152 4.322 4.170 0.000 0.000 0.294 134 I C 0.912 177.014 176.117 -0.025 0.000 0.995 134 I CA -0.349 60.940 61.300 -0.019 0.000 1.306 134 I CB 0.650 38.629 38.000 -0.036 0.000 1.407 134 I HN 0.307 nan 8.210 nan 0.000 0.501 135 D N 4.039 124.441 120.400 0.003 0.000 2.372 135 D HA 0.246 4.886 4.640 0.000 0.000 0.243 135 D C -0.349 175.923 176.300 -0.045 0.000 1.121 135 D CA 0.147 54.138 54.000 -0.016 0.000 0.898 135 D CB 0.835 41.642 40.800 0.013 0.000 1.202 135 D HN 0.611 nan 8.370 nan 0.000 0.428 136 T N -0.752 113.746 114.554 -0.093 0.000 2.906 136 T HA 0.598 4.948 4.350 0.000 0.000 0.295 136 T C -0.379 174.179 174.700 -0.236 0.000 1.075 136 T CA -0.936 61.067 62.100 -0.162 0.000 1.005 136 T CB 1.442 70.234 68.868 -0.127 0.000 1.136 136 T HN 0.206 nan 8.240 nan 0.000 0.498 137 T N 2.175 116.442 114.554 -0.480 0.000 2.795 137 T HA 0.545 4.895 4.350 0.000 0.000 0.282 137 T C -0.329 174.118 174.700 -0.421 0.000 0.980 137 T CA -0.579 61.213 62.100 -0.513 0.000 1.012 137 T CB 0.555 68.909 68.868 -0.857 0.000 0.936 137 T HN 0.686 nan 8.240 nan 0.000 0.457 138 I N 4.578 125.062 120.570 -0.143 0.000 2.339 138 I HA 0.453 4.623 4.170 0.000 0.000 0.290 138 I C -0.901 175.245 176.117 0.048 0.000 0.994 138 I CA -0.748 60.554 61.300 0.003 0.000 1.191 138 I CB 0.575 38.630 38.000 0.092 0.000 1.343 138 I HN 0.387 nan 8.210 nan 0.000 0.458 139 M N 6.424 126.101 119.600 0.128 0.000 2.530 139 M HA 0.480 4.960 4.480 0.000 0.000 0.307 139 M C -0.393 175.971 176.300 0.107 0.000 1.161 139 M CA -0.623 54.759 55.300 0.137 0.000 0.903 139 M CB 1.800 34.539 32.600 0.232 0.000 1.711 139 M HN 0.577 nan 8.290 nan 0.000 0.451 140 A N 2.673 125.535 122.820 0.070 0.000 2.362 140 A HA 0.408 4.728 4.320 0.000 0.000 0.276 140 A C 0.009 177.631 177.584 0.064 0.000 1.153 140 A CA -0.388 51.682 52.037 0.055 0.000 0.813 140 A CB 0.118 19.137 19.000 0.032 0.000 1.081 140 A HN 0.751 nan 8.150 nan 0.000 0.507 141 K N 2.257 122.698 120.400 0.068 0.000 2.350 141 K HA 0.080 4.400 4.320 0.000 0.000 0.279 141 K C -0.526 176.095 176.600 0.035 0.000 1.027 141 K CA 0.162 56.480 56.287 0.052 0.000 0.969 141 K CB 0.496 33.033 32.500 0.062 0.000 0.954 141 K HN 0.788 nan 8.250 nan 0.000 0.474 142 N N 3.024 121.720 118.700 -0.006 0.000 2.462 142 N HA 0.091 4.831 4.740 0.000 0.000 0.242 142 N C -1.050 174.376 175.510 -0.141 0.000 1.010 142 N CA -0.270 52.747 53.050 -0.054 0.000 0.939 142 N CB 0.992 39.436 38.487 -0.072 0.000 1.127 142 N HN 0.391 nan 8.380 nan 0.000 0.509 143 E N 1.032 121.154 120.200 -0.131 0.000 2.312 143 E HA 0.414 4.764 4.350 0.000 0.000 0.267 143 E C -0.860 175.429 176.600 -0.519 0.000 0.894 143 E CA -0.960 55.246 56.400 -0.324 0.000 0.773 143 E CB 2.533 32.077 29.700 -0.259 0.000 1.241 143 E HN 0.114 nan 8.360 nan 0.000 0.432 144 V N 2.940 122.384 119.914 -0.783 0.000 2.481 144 V HA 0.438 4.558 4.120 0.000 0.000 0.286 144 V C -0.715 174.811 176.094 -0.947 0.000 1.042 144 V CA -0.129 61.720 62.300 -0.752 0.000 0.928 144 V CB 0.131 31.597 31.823 -0.596 0.000 0.986 144 V HN 0.502 nan 8.190 nan 0.000 0.462 145 F N 2.125 121.724 119.950 -0.586 0.000 2.650 145 F HA 0.582 5.109 4.527 -0.000 0.000 0.320 145 F C 0.085 175.672 175.800 -0.354 0.000 1.091 145 F CA -0.678 57.035 58.000 -0.478 0.000 0.962 145 F CB 1.387 40.059 39.000 -0.545 0.000 1.363 145 F HN 0.524 nan 8.300 nan 0.000 0.482 146 C N 2.896 122.271 119.300 0.125 0.000 2.365 146 C HA 0.777 5.237 4.460 0.000 0.000 0.351 146 C C 0.226 175.424 174.990 0.347 0.000 1.240 146 C CA -0.677 58.461 59.018 0.200 0.000 2.062 146 C CB -0.077 27.742 27.740 0.131 0.000 2.387 146 C HN 0.730 nan 8.230 nan 0.000 0.537 147 V N 5.671 125.822 119.914 0.395 0.000 3.139 147 V HA 0.377 4.497 4.120 0.000 0.000 0.307 147 V C -0.257 175.932 176.094 0.158 0.000 1.095 147 V CA 0.314 62.789 62.300 0.292 0.000 1.160 147 V CB 0.298 32.208 31.823 0.144 0.000 1.003 147 V HN 1.002 nan 8.190 nan 0.000 0.489 154 R N 1.256 121.656 120.500 -0.167 0.000 2.621 154 R HA 0.504 4.844 4.340 0.000 0.000 0.292 154 R C -0.440 175.791 176.300 -0.114 0.000 0.969 154 R CA -0.749 55.186 56.100 -0.274 0.000 0.887 154 R CB 1.964 31.908 30.300 -0.594 0.000 1.180 154 R HN 0.315 nan 8.270 nan 0.000 0.450 155 K N 2.487 122.873 120.400 -0.023 0.000 2.185 155 K HA 0.435 4.755 4.320 0.000 0.000 0.271 155 K C -2.358 174.226 176.600 -0.028 0.000 1.013 155 K CA -1.787 54.448 56.287 -0.086 0.000 0.943 155 K CB 0.610 32.955 32.500 -0.259 0.000 0.998 155 K HN 0.188 nan 8.250 nan 0.000 0.468 156 P HA 0.074 nan 4.420 nan 0.000 0.276 156 P C -0.751 176.563 177.300 0.023 0.000 1.244 156 P CA -0.575 62.525 63.100 -0.000 0.000 0.801 156 P CB 0.639 32.330 31.700 -0.015 0.000 1.006 157 A N 2.620 125.469 122.820 0.047 0.000 2.531 157 A HA 0.094 4.414 4.320 0.000 0.000 0.236 157 A C 0.574 178.194 177.584 0.060 0.000 1.062 157 A CA 0.021 52.101 52.037 0.071 0.000 0.760 157 A CB -0.308 18.726 19.000 0.056 0.000 0.995 157 A HN 0.437 nan 8.150 nan 0.000 0.501 158 R N 0.459 121.014 120.500 0.091 0.000 2.560 158 R HA 0.455 4.795 4.340 0.000 0.000 0.270 158 R C -1.112 175.241 176.300 0.087 0.000 1.074 158 R CA -0.771 55.386 56.100 0.096 0.000 1.140 158 R CB 0.373 30.748 30.300 0.126 0.000 1.073 158 R HN 0.459 nan 8.270 nan 0.000 0.527 159 L N 2.288 123.569 121.223 0.095 0.000 2.317 159 L HA 0.450 4.790 4.340 0.000 0.000 0.281 159 L C -0.297 176.661 176.870 0.146 0.000 1.024 159 L CA -0.717 54.184 54.840 0.101 0.000 0.810 159 L CB 1.281 43.383 42.059 0.073 0.000 1.240 159 L HN 0.501 nan 8.230 nan 0.000 0.427 160 I N 2.976 123.650 120.570 0.174 0.000 2.441 160 I HA 0.637 4.808 4.170 0.000 0.000 0.295 160 I C -0.918 175.375 176.117 0.294 0.000 0.994 160 I CA -0.347 61.093 61.300 0.234 0.000 1.144 160 I CB 1.834 39.969 38.000 0.225 0.000 1.314 160 I HN 0.230 nan 8.210 nan 0.000 0.445 161 V N 8.488 128.582 119.914 0.300 0.000 2.483 161 V HA 0.594 4.714 4.120 0.000 0.000 0.297 161 V C -0.894 175.375 176.094 0.291 0.000 1.027 161 V CA -0.481 61.947 62.300 0.213 0.000 0.855 161 V CB 1.125 33.048 31.823 0.167 0.000 0.995 161 V HN 0.604 nan 8.190 nan 0.000 0.424 162 F N 4.821 124.817 119.950 0.078 0.000 2.619 162 F HA 0.948 5.475 4.527 0.000 0.000 0.308 162 F C -3.117 172.722 175.800 0.065 0.000 1.097 162 F CA -2.590 55.455 58.000 0.075 0.000 0.953 162 F CB 1.708 40.748 39.000 0.066 0.000 1.287 162 F HN 0.306 nan 8.300 nan 0.000 0.446 163 P HA 0.220 nan 4.420 nan 0.000 0.284 163 P C -1.069 176.353 177.300 0.202 0.000 1.292 163 P CA -0.149 63.018 63.100 0.112 0.000 0.800 163 P CB 1.266 33.036 31.700 0.116 0.000 1.188 164 D N -0.951 119.551 120.400 0.169 0.000 2.368 164 D HA -0.031 4.609 4.640 0.000 0.000 0.240 164 D C 1.349 177.776 176.300 0.213 0.000 1.169 164 D CA -0.301 53.825 54.000 0.209 0.000 0.906 164 D CB 0.259 41.232 40.800 0.289 0.000 1.187 164 D HN 0.077 nan 8.370 nan 0.000 0.435 165 L N 2.934 124.261 121.223 0.174 0.000 2.043 165 L HA -0.034 4.306 4.340 0.000 0.000 0.212 165 L C 2.060 179.060 176.870 0.216 0.000 1.075 165 L CA 2.597 57.526 54.840 0.147 0.000 0.752 165 L CB -1.205 40.884 42.059 0.051 0.000 0.891 165 L HN 0.663 nan 8.230 nan 0.000 0.432 166 G N -1.244 107.754 108.800 0.329 0.000 2.446 166 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 166 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 166 G C 1.546 176.529 174.900 0.138 0.000 1.168 166 G CA 1.207 46.488 45.100 0.303 0.000 0.771 166 G HN 0.370 nan 8.290 nan 0.000 0.551 167 V N 0.643 120.643 119.914 0.143 0.000 2.427 167 V HA -0.136 3.984 4.120 0.000 0.000 0.248 167 V C 2.912 179.078 176.094 0.121 0.000 1.051 167 V CA 1.838 64.203 62.300 0.108 0.000 1.048 167 V CB -0.457 31.424 31.823 0.098 0.000 0.666 167 V HN 0.323 nan 8.190 nan 0.000 0.456 168 R N -0.256 120.323 120.500 0.131 0.000 2.105 168 R HA -0.127 4.213 4.340 0.000 0.000 0.239 168 R C 2.221 178.568 176.300 0.078 0.000 1.135 168 R CA 1.465 57.634 56.100 0.115 0.000 0.967 168 R CB -0.590 29.773 30.300 0.105 0.000 0.861 168 R HN 0.420 nan 8.270 nan 0.000 0.442 169 V N 0.290 120.241 119.914 0.061 0.000 2.427 169 V HA -0.273 3.847 4.120 0.000 0.000 0.248 169 V C 2.458 178.556 176.094 0.007 0.000 1.051 169 V CA 1.447 63.749 62.300 0.004 0.000 1.048 169 V CB -0.404 31.408 31.823 -0.019 0.000 0.666 169 V HN 0.450 nan 8.190 nan 0.000 0.456 170 C N -0.242 119.106 119.300 0.080 0.000 2.446 170 C HA -0.134 4.326 4.460 0.000 0.000 0.277 170 C C 2.662 177.802 174.990 0.250 0.000 1.275 170 C CA 0.787 59.928 59.018 0.205 0.000 1.727 170 C CB -0.922 27.014 27.740 0.327 0.000 2.010 170 C HN 0.609 nan 8.230 nan 0.000 0.486 171 E N 0.813 121.128 120.200 0.191 0.000 2.086 171 E HA -0.270 4.080 4.350 0.000 0.000 0.200 171 E C 2.164 178.866 176.600 0.169 0.000 1.012 171 E CA 1.462 57.984 56.400 0.203 0.000 0.812 171 E CB -0.154 29.671 29.700 0.208 0.000 0.743 171 E HN 0.637 nan 8.360 nan 0.000 0.453 172 K N 0.133 120.596 120.400 0.105 0.000 2.026 172 K HA -0.119 4.201 4.320 0.000 0.000 0.208 172 K C 2.279 178.912 176.600 0.055 0.000 1.048 172 K CA 1.488 57.818 56.287 0.073 0.000 0.929 172 K CB -0.146 32.320 32.500 -0.056 0.000 0.713 172 K HN 0.141 nan 8.250 nan 0.000 0.439 173 M N 0.459 120.043 119.600 -0.027 0.000 2.082 173 M HA -0.208 4.272 4.480 0.000 0.000 0.258 173 M C 2.517 178.827 176.300 0.017 0.000 1.069 173 M CA 1.914 57.135 55.300 -0.131 0.000 1.102 173 M CB -0.589 31.732 32.600 -0.465 0.000 1.336 173 M HN 0.215 nan 8.290 nan 0.000 0.404 174 A N -0.298 122.637 122.820 0.192 0.000 1.897 174 A HA 0.005 4.325 4.320 0.000 0.000 0.215 174 A C 1.945 179.617 177.584 0.147 0.000 1.181 174 A CA 1.329 53.539 52.037 0.289 0.000 0.620 174 A CB -0.284 18.940 19.000 0.373 0.000 0.821 174 A HN 0.513 nan 8.150 nan 0.000 0.443 175 L N -3.225 118.068 121.223 0.116 0.000 3.039 175 L HA 0.194 4.534 4.340 0.000 0.000 0.269 175 L C 1.816 178.707 176.870 0.035 0.000 1.169 175 L CA -0.002 54.851 54.840 0.020 0.000 0.986 175 L CB 0.169 42.214 42.059 -0.024 0.000 1.377 175 L HN 0.462 nan 8.230 nan 0.000 0.575 176 Y N 1.375 121.675 120.300 -0.000 0.000 2.145 176 Y HA -0.312 4.238 4.550 0.000 0.000 0.286 176 Y C 2.189 178.109 175.900 0.033 0.000 1.145 176 Y CA 2.264 60.381 58.100 0.027 0.000 1.148 176 Y CB 0.088 38.552 38.460 0.006 0.000 0.981 176 Y HN 0.213 nan 8.280 nan 0.000 0.507 177 D N -0.690 119.725 120.400 0.026 0.000 2.144 177 D HA -0.174 4.466 4.640 0.000 0.000 0.199 177 D C 2.207 178.437 176.300 -0.117 0.000 0.984 177 D CA 1.495 55.463 54.000 -0.054 0.000 0.834 177 D CB -0.212 40.608 40.800 0.032 0.000 0.955 177 D HN 0.265 nan 8.370 nan 0.000 0.465 178 V N 0.362 120.213 119.914 -0.107 0.000 2.261 178 V HA -0.217 3.903 4.120 0.000 0.000 0.246 178 V C 2.681 178.657 176.094 -0.196 0.000 1.047 178 V CA 1.784 64.000 62.300 -0.140 0.000 1.015 178 V CB -0.665 31.048 31.823 -0.182 0.000 0.642 178 V HN 0.334 nan 8.190 nan 0.000 0.446 179 V N -2.401 117.371 119.914 -0.236 0.000 2.913 179 V HA -0.108 4.012 4.120 0.000 0.000 0.260 179 V C 2.006 177.927 176.094 -0.289 0.000 1.098 179 V CA 2.149 64.299 62.300 -0.251 0.000 1.121 179 V CB -0.425 31.271 31.823 -0.213 0.000 0.714 179 V HN 0.456 nan 8.190 nan 0.000 0.487 180 S N 0.045 115.571 115.700 -0.291 0.000 2.458 180 S HA 0.025 4.495 4.470 0.000 0.000 0.223 180 S C 1.866 176.359 174.600 -0.178 0.000 1.019 180 S CA 1.342 59.389 58.200 -0.256 0.000 0.937 180 S CB 0.114 63.111 63.200 -0.338 0.000 0.788 180 S HN 0.759 nan 8.310 nan 0.000 0.511 181 T N 1.516 115.965 114.554 -0.174 0.000 3.026 181 T HA 0.297 4.647 4.350 0.000 0.000 0.245 181 T C 1.639 176.241 174.700 -0.163 0.000 1.004 181 T CA -0.134 61.887 62.100 -0.132 0.000 1.069 181 T CB -0.068 68.747 68.868 -0.088 0.000 1.005 181 T HN 0.173 nan 8.240 nan 0.000 0.472 182 L N 2.028 123.145 121.223 -0.176 0.000 2.027 182 L HA 0.015 4.355 4.340 0.000 0.000 0.206 182 L C -0.998 175.715 176.870 -0.263 0.000 1.074 182 L CA 1.392 56.135 54.840 -0.162 0.000 0.745 182 L CB -0.840 41.168 42.059 -0.085 0.000 0.898 182 L HN 0.122 nan 8.230 nan 0.000 0.433 183 P HA -0.213 nan 4.420 nan 0.000 0.217 183 P C 1.336 178.229 177.300 -0.678 0.000 1.150 183 P CA 1.234 63.930 63.100 -0.673 0.000 0.832 183 P CB -0.184 30.797 31.700 -1.197 0.000 0.787 184 Q N 0.091 119.553 119.800 -0.563 0.000 2.172 184 Q HA -0.072 4.268 4.340 0.000 0.000 0.200 184 Q C 1.919 177.806 176.000 -0.188 0.000 0.964 184 Q CA 1.243 56.884 55.803 -0.270 0.000 0.855 184 Q CB -0.574 28.103 28.738 -0.103 0.000 0.918 184 Q HN 0.068 nan 8.270 nan 0.000 0.444 185 V N 0.277 120.084 119.914 -0.179 0.000 2.295 185 V HA -0.222 3.898 4.120 0.000 0.000 0.246 185 V C 2.549 178.564 176.094 -0.132 0.000 1.049 185 V CA 1.543 63.770 62.300 -0.121 0.000 1.024 185 V CB -0.606 31.159 31.823 -0.097 0.000 0.648 185 V HN 0.135 nan 8.190 nan 0.000 0.447 186 V N -0.611 119.193 119.914 -0.183 0.000 2.358 186 V HA -0.230 3.890 4.120 0.000 0.000 0.246 186 V C 2.069 178.017 176.094 -0.243 0.000 1.047 186 V CA 2.359 64.548 62.300 -0.185 0.000 1.035 186 V CB -0.440 31.259 31.823 -0.207 0.000 0.658 186 V HN 0.492 nan 8.190 nan 0.000 0.452 187 M N -1.661 117.729 119.600 -0.351 0.000 2.367 187 M HA 0.377 4.857 4.480 0.000 0.000 0.256 187 M C 1.474 177.667 176.300 -0.179 0.000 1.091 187 M CA 0.755 55.784 55.300 -0.453 0.000 1.049 187 M CB 0.613 32.780 32.600 -0.722 0.000 1.406 187 M HN 0.434 nan 8.290 nan 0.000 0.498 188 G N 1.855 110.577 108.800 -0.129 0.000 2.611 188 G HA2 -0.402 3.558 3.960 0.000 0.000 0.301 188 G HA3 -0.402 3.558 3.960 0.000 0.000 0.301 188 G C 0.861 175.725 174.900 -0.059 0.000 1.233 188 G CA 0.964 46.029 45.100 -0.058 0.000 0.993 188 G HN 0.536 nan 8.290 nan 0.000 0.553 189 S N -0.588 115.112 115.700 -0.000 0.000 2.507 189 S HA 0.131 4.601 4.470 0.000 0.000 0.235 189 S C 2.185 176.675 174.600 -0.183 0.000 0.988 189 S CA 1.880 60.055 58.200 -0.041 0.000 0.944 189 S CB -0.022 63.277 63.200 0.165 0.000 0.762 189 S HN 0.965 nan 8.310 nan 0.000 0.526 190 S N 0.268 115.952 115.700 -0.028 0.000 2.489 190 S HA 0.140 4.610 4.470 0.000 0.000 0.228 190 S C 0.182 174.747 174.600 -0.057 0.000 0.995 190 S CA -0.140 58.075 58.200 0.025 0.000 0.934 190 S CB -0.404 62.910 63.200 0.190 0.000 0.771 190 S HN 0.707 nan 8.310 nan 0.000 0.522 191 Y N 2.956 123.079 120.300 -0.295 0.000 2.584 191 Y HA 0.436 4.986 4.550 0.000 0.000 0.351 191 Y C 1.245 176.867 175.900 -0.464 0.000 1.030 191 Y CA -1.443 56.451 58.100 -0.342 0.000 1.332 191 Y CB -0.017 38.251 38.460 -0.321 0.000 1.148 191 Y HN 0.056 nan 8.280 nan 0.000 0.528 192 G N 4.441 112.788 108.800 -0.755 0.000 2.448 192 G HA2 -0.244 3.716 3.960 0.000 0.000 0.218 192 G HA3 -0.244 3.716 3.960 0.000 0.000 0.218 192 G C 1.052 175.392 174.900 -0.932 0.000 1.135 192 G CA 0.171 44.834 45.100 -0.727 0.000 0.784 192 G HN 0.626 nan 8.290 nan 0.000 0.543 193 F N 1.386 120.568 119.950 -1.281 0.000 2.771 193 F HA 0.047 4.574 4.527 0.000 0.000 0.299 193 F C 2.807 178.284 175.800 -0.538 0.000 1.177 193 F CA 0.745 58.100 58.000 -1.075 0.000 1.450 193 F CB -0.034 38.341 39.000 -1.041 0.000 1.114 193 F HN 0.384 nan 8.300 nan 0.000 0.587 194 Q N -0.949 118.523 119.800 -0.547 0.000 2.435 194 Q HA -0.086 4.254 4.340 0.000 0.000 0.207 194 Q C -0.563 175.320 176.000 -0.196 0.000 0.956 194 Q CA 0.766 56.397 55.803 -0.287 0.000 0.917 194 Q CB -0.281 28.210 28.738 -0.412 0.000 0.997 194 Q HN 0.254 nan 8.270 nan 0.000 0.497 195 Y N 2.056 122.325 120.300 -0.052 0.000 2.330 195 Y HA 0.287 4.837 4.550 0.000 0.000 0.336 195 Y C 0.582 176.256 175.900 -0.376 0.000 1.036 195 Y CA -1.633 56.367 58.100 -0.165 0.000 1.125 195 Y CB 1.452 39.790 38.460 -0.203 0.000 1.194 195 Y HN 0.113 nan 8.280 nan 0.000 0.469 196 S N 3.343 118.704 115.700 -0.565 0.000 2.580 196 S HA 0.122 4.592 4.470 0.000 0.000 0.266 196 S C -1.912 172.368 174.600 -0.533 0.000 1.354 196 S CA -0.910 56.617 58.200 -1.123 0.000 1.008 196 S CB 0.968 63.689 63.200 -0.798 0.000 0.898 196 S HN 0.450 nan 8.310 nan 0.000 0.555 197 P HA 0.034 nan 4.420 nan 0.000 0.216 197 P C 1.711 178.882 177.300 -0.215 0.000 1.150 197 P CA 1.629 64.561 63.100 -0.279 0.000 0.837 197 P CB -0.577 30.970 31.700 -0.254 0.000 0.786 198 G N 0.005 108.628 108.800 -0.296 0.000 2.421 198 G HA2 -0.283 3.677 3.960 0.000 0.000 0.216 198 G HA3 -0.283 3.677 3.960 0.000 0.000 0.216 198 G C 1.593 176.410 174.900 -0.139 0.000 1.171 198 G CA 0.670 45.676 45.100 -0.157 0.000 0.775 198 G HN 0.282 nan 8.290 nan 0.000 0.543 199 Q N -0.459 119.236 119.800 -0.175 0.000 2.096 199 Q HA -0.094 4.246 4.340 0.000 0.000 0.204 199 Q C 2.613 178.429 176.000 -0.307 0.000 0.982 199 Q CA 1.401 57.101 55.803 -0.171 0.000 0.850 199 Q CB -0.179 28.523 28.738 -0.060 0.000 0.901 199 Q HN 0.507 nan 8.270 nan 0.000 0.422 200 R N 0.175 120.522 120.500 -0.255 0.000 2.092 200 R HA -0.107 4.233 4.340 0.000 0.000 0.231 200 R C 2.142 178.353 176.300 -0.148 0.000 1.119 200 R CA 1.036 56.980 56.100 -0.260 0.000 0.970 200 R CB -0.259 29.994 30.300 -0.080 0.000 0.864 200 R HN 0.163 nan 8.270 nan 0.000 0.440 201 V N 1.244 121.096 119.914 -0.103 0.000 2.427 201 V HA -0.183 3.937 4.120 0.000 0.000 0.248 201 V C 2.162 178.192 176.094 -0.106 0.000 1.051 201 V CA 2.158 64.413 62.300 -0.075 0.000 1.048 201 V CB -0.199 31.619 31.823 -0.008 0.000 0.666 201 V HN 0.487 nan 8.190 nan 0.000 0.456 202 E N -0.748 119.392 120.200 -0.100 0.000 2.051 202 E HA -0.273 4.077 4.350 0.000 0.000 0.192 202 E C 2.105 178.634 176.600 -0.119 0.000 0.991 202 E CA 1.813 58.154 56.400 -0.098 0.000 0.799 202 E CB -0.320 29.336 29.700 -0.074 0.000 0.748 202 E HN 0.633 nan 8.360 nan 0.000 0.449 203 F N 1.232 120.997 119.950 -0.308 0.000 2.126 203 F HA -0.171 4.356 4.527 0.000 0.000 0.299 203 F C 1.933 177.609 175.800 -0.206 0.000 1.096 203 F CA 1.313 59.123 58.000 -0.316 0.000 1.255 203 F CB -0.132 38.509 39.000 -0.599 0.000 0.997 203 F HN 0.011 nan 8.300 nan 0.000 0.479 204 L N -0.945 120.184 121.223 -0.156 0.000 2.056 204 L HA -0.202 4.138 4.340 0.000 0.000 0.207 204 L C 2.333 179.072 176.870 -0.218 0.000 1.078 204 L CA 0.926 55.655 54.840 -0.186 0.000 0.749 204 L CB -0.723 41.264 42.059 -0.119 0.000 0.901 204 L HN 0.004 nan 8.230 nan 0.000 0.433 205 V N -0.196 119.565 119.914 -0.255 0.000 2.323 205 V HA -0.224 3.896 4.120 0.000 0.000 0.244 205 V C 2.199 178.182 176.094 -0.185 0.000 1.041 205 V CA 1.641 63.761 62.300 -0.300 0.000 1.025 205 V CB -0.636 30.883 31.823 -0.508 0.000 0.656 205 V HN 0.443 nan 8.190 nan 0.000 0.451 206 N N 0.329 118.904 118.700 -0.209 0.000 2.069 206 N HA -0.157 4.583 4.740 0.000 0.000 0.191 206 N C 1.926 177.308 175.510 -0.213 0.000 1.031 206 N CA 2.096 55.035 53.050 -0.184 0.000 0.852 206 N CB -0.745 37.634 38.487 -0.180 0.000 1.018 206 N HN 0.443 nan 8.380 nan 0.000 0.423 207 T N 0.449 114.792 114.554 -0.351 0.000 2.746 207 T HA -0.158 4.192 4.350 0.000 0.000 0.267 207 T C 1.507 176.118 174.700 -0.147 0.000 1.039 207 T CA 0.778 62.670 62.100 -0.346 0.000 1.142 207 T CB -0.237 68.297 68.868 -0.555 0.000 0.866 207 T HN 0.431 nan 8.240 nan 0.000 0.444 208 W N 2.169 123.311 121.300 -0.263 0.000 2.355 208 W HA -0.083 4.577 4.660 0.000 0.000 0.309 208 W C 1.843 178.274 176.519 -0.147 0.000 1.206 208 W CA 1.134 58.367 57.345 -0.188 0.000 1.284 208 W CB -0.202 29.142 29.460 -0.194 0.000 1.145 208 W HN 0.232 nan 8.180 nan 0.000 0.502 209 K N 0.346 120.758 120.400 0.020 0.000 2.360 209 K HA -0.140 4.180 4.320 0.000 0.000 0.201 209 K C 2.043 178.577 176.600 -0.110 0.000 1.046 209 K CA 1.571 57.830 56.287 -0.047 0.000 0.945 209 K CB -0.262 32.226 32.500 -0.020 0.000 0.750 209 K HN 0.071 nan 8.250 nan 0.000 0.464 210 S N 0.310 115.929 115.700 -0.135 0.000 2.562 210 S HA 0.031 4.501 4.470 0.000 0.000 0.221 210 S C 0.419 174.932 174.600 -0.145 0.000 0.975 210 S CA 0.062 58.186 58.200 -0.127 0.000 0.918 210 S CB 0.136 63.260 63.200 -0.126 0.000 0.772 210 S HN -0.043 nan 8.310 nan 0.000 0.531 211 K N 1.645 121.918 120.400 -0.212 0.000 2.138 211 K HA 0.409 4.729 4.320 0.000 0.000 0.263 211 K C 0.409 176.885 176.600 -0.208 0.000 0.965 211 K CA -0.535 55.619 56.287 -0.222 0.000 0.868 211 K CB 1.353 33.664 32.500 -0.314 0.000 1.083 211 K HN 0.071 nan 8.250 nan 0.000 0.443 212 K N 1.085 121.396 120.400 -0.149 0.000 2.002 212 K HA -0.057 4.263 4.320 0.000 0.000 0.209 212 K C 0.187 176.706 176.600 -0.135 0.000 1.048 212 K CA 1.211 57.428 56.287 -0.117 0.000 0.930 212 K CB 0.133 32.585 32.500 -0.080 0.000 0.714 212 K HN 0.482 nan 8.250 nan 0.000 0.438 213 N N 1.556 120.169 118.700 -0.145 0.000 2.682 213 N HA 0.209 4.949 4.740 0.000 0.000 0.252 213 N C -2.833 172.549 175.510 -0.212 0.000 1.081 213 N CA -1.154 51.813 53.050 -0.138 0.000 0.844 213 N CB 1.729 40.177 38.487 -0.066 0.000 1.167 213 N HN 0.049 nan 8.380 nan 0.000 0.523 214 P HA 0.099 nan 4.420 nan 0.000 0.271 214 P C -0.308 176.693 177.300 -0.498 0.000 1.216 214 P CA -0.170 62.455 63.100 -0.790 0.000 0.771 214 P CB 1.205 31.719 31.700 -1.977 0.000 0.864 215 M N 2.391 121.788 119.600 -0.339 0.000 2.530 215 M HA 0.690 5.170 4.480 0.000 0.000 0.307 215 M C -0.971 175.297 176.300 -0.053 0.000 1.161 215 M CA -0.401 54.771 55.300 -0.214 0.000 0.903 215 M CB 2.538 35.054 32.600 -0.139 0.000 1.711 215 M HN 0.558 nan 8.290 nan 0.000 0.451 216 G N 3.313 112.181 108.800 0.113 0.000 2.690 216 G HA2 0.808 4.768 3.960 0.000 0.000 0.293 216 G HA3 0.808 4.768 3.960 0.000 0.000 0.293 216 G C -2.031 172.983 174.900 0.190 0.000 1.399 216 G CA -0.607 44.616 45.100 0.206 0.000 0.890 216 G HN 0.838 nan 8.290 nan 0.000 0.485 217 F N -0.257 119.662 119.950 -0.051 0.000 2.678 217 F HA 0.799 5.326 4.527 0.000 0.000 0.308 217 F C -0.362 175.418 175.800 -0.034 0.000 1.118 217 F CA -1.295 56.665 58.000 -0.066 0.000 0.959 217 F CB 1.358 40.296 39.000 -0.103 0.000 1.305 217 F HN 0.704 nan 8.300 nan 0.000 0.443 218 S N 1.496 117.248 115.700 0.087 0.000 2.593 218 S HA 0.699 5.169 4.470 0.000 0.000 0.297 218 S C -1.663 173.086 174.600 0.249 0.000 1.112 218 S CA -0.611 57.612 58.200 0.038 0.000 1.043 218 S CB 1.812 65.034 63.200 0.036 0.000 1.054 218 S HN 0.944 nan 8.310 nan 0.000 0.516 219 Y N 1.292 121.660 120.300 0.113 0.000 2.326 219 Y HA 0.459 5.009 4.550 0.000 0.000 0.331 219 Y C -1.129 174.884 175.900 0.188 0.000 0.962 219 Y CA -0.755 57.490 58.100 0.240 0.000 1.167 219 Y CB 1.444 40.137 38.460 0.389 0.000 1.148 219 Y HN 0.887 nan 8.280 nan 0.000 0.463 220 D N 4.337 124.575 120.400 -0.270 0.000 2.373 220 D HA 0.242 4.882 4.640 0.000 0.000 0.227 220 D C -0.872 175.298 176.300 -0.216 0.000 1.091 220 D CA -0.110 53.812 54.000 -0.131 0.000 0.840 220 D CB 1.107 41.862 40.800 -0.076 0.000 1.060 220 D HN 0.463 nan 8.370 nan 0.000 0.502 221 T N 4.254 118.869 114.554 0.102 0.000 2.780 221 T HA 0.156 4.506 4.350 0.000 0.000 0.294 221 T C 0.357 175.169 174.700 0.187 0.000 0.949 221 T CA -0.625 61.619 62.100 0.240 0.000 1.074 221 T CB 0.796 70.008 68.868 0.574 0.000 0.910 221 T HN 0.267 nan 8.240 nan 0.000 0.501 222 R N 2.561 123.124 120.500 0.105 0.000 2.351 222 R HA 0.080 4.420 4.340 0.000 0.000 0.318 222 R C -0.374 176.028 176.300 0.170 0.000 1.055 222 R CA -0.069 56.081 56.100 0.083 0.000 0.968 222 R CB -0.922 29.370 30.300 -0.013 0.000 0.974 222 R HN 0.965 nan 8.270 nan 0.000 0.439 223 C N 5.807 125.242 119.300 0.226 0.000 3.442 223 C HA -0.172 4.288 4.460 0.000 0.000 0.288 223 C C 1.362 176.574 174.990 0.370 0.000 1.238 223 C CA 0.230 59.437 59.018 0.314 0.000 2.320 223 C CB -2.959 25.026 27.740 0.409 0.000 1.459 223 C HN 0.972 nan 8.230 nan 0.000 0.544 224 F N 1.815 121.892 119.950 0.211 0.000 2.126 224 F HA -0.124 4.404 4.527 0.000 0.000 0.299 224 F C 1.869 177.788 175.800 0.198 0.000 1.096 224 F CA 2.315 60.439 58.000 0.207 0.000 1.255 224 F CB -0.015 39.093 39.000 0.181 0.000 0.997 224 F HN 0.465 nan 8.300 nan 0.000 0.479 225 D N -0.450 120.219 120.400 0.448 0.000 2.182 225 D HA -0.149 4.491 4.640 0.000 0.000 0.201 225 D C 2.397 178.783 176.300 0.144 0.000 0.986 225 D CA 1.549 55.736 54.000 0.312 0.000 0.847 225 D CB -0.328 40.646 40.800 0.291 0.000 0.942 225 D HN 0.251 nan 8.370 nan 0.000 0.467 226 S N -0.760 115.037 115.700 0.161 0.000 2.470 226 S HA -0.079 4.391 4.470 0.000 0.000 0.225 226 S C 2.013 176.584 174.600 -0.049 0.000 1.006 226 S CA 1.140 59.333 58.200 -0.012 0.000 0.934 226 S CB -0.090 63.089 63.200 -0.036 0.000 0.778 226 S HN 0.505 nan 8.310 nan 0.000 0.517 227 T N 0.010 114.629 114.554 0.108 0.000 3.035 227 T HA 0.086 4.436 4.350 0.000 0.000 0.268 227 T C 0.625 175.265 174.700 -0.100 0.000 1.109 227 T CA 0.137 62.280 62.100 0.072 0.000 1.119 227 T CB -0.484 68.375 68.868 -0.014 0.000 0.900 227 T HN 0.046 nan 8.240 nan 0.000 0.503 228 V N 3.855 123.677 119.914 -0.154 0.000 2.470 228 V HA 0.356 4.476 4.120 0.000 0.000 0.276 228 V C 1.066 177.116 176.094 -0.074 0.000 1.040 228 V CA -0.370 61.856 62.300 -0.122 0.000 1.008 228 V CB 0.253 32.048 31.823 -0.047 0.000 0.990 228 V HN 0.699 nan 8.190 nan 0.000 0.477 229 T N 0.634 115.155 114.554 -0.055 0.000 2.912 229 T HA 0.333 4.683 4.350 0.000 0.000 0.280 229 T C 1.040 175.727 174.700 -0.023 0.000 0.989 229 T CA -0.210 61.863 62.100 -0.046 0.000 0.995 229 T CB 1.638 70.474 68.868 -0.054 0.000 1.077 229 T HN 0.723 nan 8.240 nan 0.000 0.531 230 E N 0.763 120.956 120.200 -0.013 0.000 2.085 230 E HA -0.302 4.048 4.350 0.000 0.000 0.194 230 E C 1.882 178.484 176.600 0.005 0.000 0.994 230 E CA 1.784 58.188 56.400 0.007 0.000 0.801 230 E CB -0.295 29.416 29.700 0.019 0.000 0.743 230 E HN 0.766 nan 8.360 nan 0.000 0.453 231 N N 0.775 119.468 118.700 -0.012 0.000 2.018 231 N HA -0.228 4.512 4.740 0.000 0.000 0.196 231 N C 1.491 177.005 175.510 0.006 0.000 1.043 231 N CA 2.351 55.393 53.050 -0.014 0.000 0.856 231 N CB -0.216 38.242 38.487 -0.049 0.000 1.042 231 N HN 0.169 nan 8.380 nan 0.000 0.423 232 D N -0.012 120.392 120.400 0.006 0.000 2.149 232 D HA -0.174 4.466 4.640 0.000 0.000 0.194 232 D C 1.975 178.284 176.300 0.015 0.000 1.001 232 D CA 1.195 55.213 54.000 0.029 0.000 0.849 232 D CB -0.322 40.491 40.800 0.022 0.000 0.939 232 D HN 0.495 nan 8.370 nan 0.000 0.449 233 I N 0.359 120.940 120.570 0.019 0.000 2.406 233 I HA -0.138 4.032 4.170 0.000 0.000 0.249 233 I C 2.469 178.595 176.117 0.016 0.000 1.122 233 I CA 0.665 61.985 61.300 0.032 0.000 1.431 233 I CB -0.000 38.043 38.000 0.072 0.000 1.087 233 I HN -0.122 nan 8.210 nan 0.000 0.424 234 R N 0.027 120.535 120.500 0.013 0.000 2.090 234 R HA -0.072 4.268 4.340 0.000 0.000 0.228 234 R C 2.318 178.594 176.300 -0.040 0.000 1.110 234 R CA 0.968 57.068 56.100 0.001 0.000 0.973 234 R CB -0.424 29.881 30.300 0.009 0.000 0.869 234 R HN 0.189 nan 8.270 nan 0.000 0.440 235 V N 1.640 121.532 119.914 -0.036 0.000 2.287 235 V HA -0.265 3.855 4.120 0.000 0.000 0.248 235 V C 1.984 177.979 176.094 -0.165 0.000 1.053 235 V CA 1.915 64.180 62.300 -0.059 0.000 1.027 235 V CB -0.425 31.401 31.823 0.004 0.000 0.646 235 V HN 0.352 nan 8.190 nan 0.000 0.447 236 E N -0.399 119.671 120.200 -0.216 0.000 2.058 236 E HA -0.270 4.080 4.350 0.000 0.000 0.194 236 E C 2.375 178.460 176.600 -0.859 0.000 0.997 236 E CA 1.392 57.498 56.400 -0.489 0.000 0.801 236 E CB -0.234 29.250 29.700 -0.362 0.000 0.746 236 E HN 0.549 nan 8.360 nan 0.000 0.450 237 E N 0.681 120.616 120.200 -0.442 0.000 2.085 237 E HA -0.216 4.134 4.350 0.000 0.000 0.194 237 E C 2.164 178.670 176.600 -0.156 0.000 0.994 237 E CA 1.646 57.919 56.400 -0.212 0.000 0.801 237 E CB -0.036 29.682 29.700 0.031 0.000 0.743 237 E HN 0.255 nan 8.360 nan 0.000 0.453 238 S N 0.002 115.615 115.700 -0.144 0.000 2.402 238 S HA -0.108 4.362 4.470 0.000 0.000 0.229 238 S C 2.159 176.700 174.600 -0.098 0.000 1.021 238 S CA 0.911 59.062 58.200 -0.082 0.000 0.974 238 S CB -0.508 62.656 63.200 -0.061 0.000 0.800 238 S HN 0.267 nan 8.310 nan 0.000 0.484 239 I N 0.281 120.735 120.570 -0.192 0.000 2.202 239 I HA -0.123 4.047 4.170 0.000 0.000 0.242 239 I C 2.349 178.446 176.117 -0.033 0.000 1.091 239 I CA 1.265 62.478 61.300 -0.145 0.000 1.368 239 I CB -0.610 37.273 38.000 -0.195 0.000 1.058 239 I HN 0.192 nan 8.210 nan 0.000 0.410 240 Y N 1.220 121.511 120.300 -0.014 0.000 2.151 240 Y HA -0.266 4.284 4.550 0.000 0.000 0.284 240 Y C 2.669 178.570 175.900 0.002 0.000 1.166 240 Y CA 0.844 58.940 58.100 -0.007 0.000 1.163 240 Y CB -1.216 37.252 38.460 0.014 0.000 0.974 240 Y HN 0.271 nan 8.280 nan 0.000 0.511 241 Q N -1.197 118.690 119.800 0.144 0.000 2.369 241 Q HA -0.104 4.236 4.340 0.000 0.000 0.206 241 Q C 2.380 178.411 176.000 0.051 0.000 0.963 241 Q CA 1.024 56.881 55.803 0.089 0.000 0.894 241 Q CB -0.816 27.959 28.738 0.061 0.000 0.965 241 Q HN 0.540 nan 8.270 nan 0.000 0.475 242 C N 0.532 119.853 119.300 0.035 0.000 2.410 242 C HA -0.099 4.361 4.460 0.000 0.000 0.281 242 C C 1.678 176.683 174.990 0.025 0.000 1.318 242 C CA -0.584 58.445 59.018 0.019 0.000 1.776 242 C CB -0.915 26.826 27.740 0.002 0.000 1.942 242 C HN 0.418 nan 8.230 nan 0.000 0.508 243 C N 1.899 121.224 119.300 0.041 0.000 2.703 243 C HA 0.115 4.575 4.460 0.000 0.000 0.411 243 C C 0.600 175.608 174.990 0.030 0.000 1.290 243 C CA -0.207 58.830 59.018 0.033 0.000 2.054 243 C CB -0.372 27.392 27.740 0.040 0.000 2.732 243 C HN 0.512 nan 8.230 nan 0.000 0.650 244 D N 1.854 122.268 120.400 0.022 0.000 2.359 244 D HA 0.431 5.071 4.640 0.000 0.000 0.250 244 D C -0.544 175.773 176.300 0.029 0.000 1.264 244 D CA 0.359 54.373 54.000 0.022 0.000 0.911 244 D CB -0.142 40.668 40.800 0.016 0.000 1.056 244 D HN 0.378 nan 8.370 nan 0.000 0.499 245 L N 2.034 123.278 121.223 0.036 0.000 2.333 245 L HA 0.692 5.032 4.340 0.000 0.000 0.263 245 L C 0.425 177.324 176.870 0.047 0.000 1.014 245 L CA -1.559 53.309 54.840 0.046 0.000 0.820 245 L CB 1.769 43.863 42.059 0.058 0.000 1.352 245 L HN 0.290 nan 8.230 nan 0.000 0.421 246 A N 1.750 124.603 122.820 0.056 0.000 2.462 246 A HA 0.337 4.657 4.320 0.000 0.000 0.243 246 A C -1.757 175.865 177.584 0.063 0.000 1.076 246 A CA -0.842 51.230 52.037 0.059 0.000 0.773 246 A CB -0.137 18.906 19.000 0.072 0.000 1.010 246 A HN 0.639 nan 8.150 nan 0.000 0.493 247 P HA -0.235 nan 4.420 nan 0.000 0.216 247 P C 1.365 178.692 177.300 0.045 0.000 1.157 247 P CA 1.844 64.968 63.100 0.040 0.000 0.880 247 P CB 0.176 31.894 31.700 0.030 0.000 0.791 248 E N -0.683 119.561 120.200 0.074 0.000 2.085 248 E HA -0.226 4.124 4.350 0.000 0.000 0.194 248 E C 1.912 178.586 176.600 0.124 0.000 0.994 248 E CA 1.319 57.781 56.400 0.103 0.000 0.801 248 E CB -0.494 29.332 29.700 0.210 0.000 0.743 248 E HN 0.104 nan 8.360 nan 0.000 0.453 249 A N 1.111 124.031 122.820 0.166 0.000 1.930 249 A HA -0.147 4.173 4.320 0.000 0.000 0.217 249 A C 2.098 179.738 177.584 0.092 0.000 1.175 249 A CA 1.196 53.340 52.037 0.178 0.000 0.627 249 A CB -0.379 18.717 19.000 0.159 0.000 0.815 249 A HN 0.173 nan 8.150 nan 0.000 0.443 250 R N -0.964 119.575 120.500 0.064 0.000 2.091 250 R HA -0.207 4.133 4.340 0.000 0.000 0.238 250 R C 2.470 178.778 176.300 0.013 0.000 1.136 250 R CA 1.791 57.918 56.100 0.046 0.000 0.959 250 R CB -0.299 30.023 30.300 0.036 0.000 0.856 250 R HN 0.646 nan 8.270 nan 0.000 0.437 251 Q N 0.692 120.476 119.800 -0.027 0.000 2.046 251 Q HA -0.055 4.285 4.340 0.000 0.000 0.200 251 Q C 2.010 177.926 176.000 -0.141 0.000 0.975 251 Q CA 1.909 57.663 55.803 -0.082 0.000 0.836 251 Q CB -0.275 28.397 28.738 -0.110 0.000 0.896 251 Q HN 0.319 nan 8.270 nan 0.000 0.428 252 A N 0.245 122.935 122.820 -0.216 0.000 1.948 252 A HA -0.184 4.136 4.320 0.000 0.000 0.220 252 A C 2.122 179.641 177.584 -0.107 0.000 1.177 252 A CA 1.720 53.570 52.037 -0.312 0.000 0.636 252 A CB -0.790 17.936 19.000 -0.457 0.000 0.815 252 A HN 0.503 nan 8.150 nan 0.000 0.449 253 I N -0.829 119.742 120.570 0.001 0.000 2.333 253 I HA -0.198 3.972 4.170 0.000 0.000 0.246 253 I C 2.489 178.659 176.117 0.088 0.000 1.106 253 I CA 1.621 62.977 61.300 0.093 0.000 1.411 253 I CB -0.213 37.871 38.000 0.141 0.000 1.082 253 I HN 0.414 nan 8.210 nan 0.000 0.420 254 K N 0.695 121.119 120.400 0.041 0.000 2.057 254 K HA -0.216 4.104 4.320 0.000 0.000 0.207 254 K C 2.325 178.913 176.600 -0.019 0.000 1.049 254 K CA 1.933 58.235 56.287 0.025 0.000 0.931 254 K CB -0.151 32.351 32.500 0.003 0.000 0.714 254 K HN 0.092 nan 8.250 nan 0.000 0.440 255 S N 0.561 116.219 115.700 -0.069 0.000 2.356 255 S HA -0.083 4.387 4.470 0.000 0.000 0.223 255 S C 1.939 176.454 174.600 -0.142 0.000 1.032 255 S CA 1.198 59.334 58.200 -0.108 0.000 1.005 255 S CB -0.267 62.840 63.200 -0.156 0.000 0.867 255 S HN 0.372 nan 8.310 nan 0.000 0.449 256 L N 0.728 121.843 121.223 -0.180 0.000 2.083 256 L HA -0.099 4.241 4.340 0.000 0.000 0.209 256 L C 2.747 179.324 176.870 -0.488 0.000 1.083 256 L CA 1.519 56.129 54.840 -0.384 0.000 0.752 256 L CB -0.928 40.882 42.059 -0.415 0.000 0.899 256 L HN 0.328 nan 8.230 nan 0.000 0.433 257 T N -1.041 113.436 114.554 -0.129 0.000 2.708 257 T HA -0.156 4.194 4.350 0.000 0.000 0.266 257 T C 1.801 176.505 174.700 0.007 0.000 1.037 257 T CA 1.207 63.356 62.100 0.081 0.000 1.146 257 T CB -0.098 68.887 68.868 0.195 0.000 0.865 257 T HN 0.284 nan 8.240 nan 0.000 0.435 258 E N 1.098 121.284 120.200 -0.023 0.000 2.072 258 E HA -0.018 4.332 4.350 0.000 0.000 0.191 258 E C 2.420 179.000 176.600 -0.033 0.000 0.985 258 E CA 0.998 57.389 56.400 -0.016 0.000 0.801 258 E CB -0.135 29.552 29.700 -0.021 0.000 0.750 258 E HN 0.468 nan 8.360 nan 0.000 0.452 259 R N -0.485 119.967 120.500 -0.080 0.000 2.140 259 R HA 0.079 4.419 4.340 0.000 0.000 0.213 259 R C 2.005 178.241 176.300 -0.106 0.000 1.059 259 R CA 0.403 56.456 56.100 -0.079 0.000 1.000 259 R CB 0.135 30.381 30.300 -0.090 0.000 0.910 259 R HN 0.044 nan 8.270 nan 0.000 0.455 260 L N -1.783 119.325 121.223 -0.190 0.000 2.614 260 L HA 0.175 4.515 4.340 0.000 0.000 0.185 260 L C 1.393 178.220 176.870 -0.072 0.000 1.098 260 L CA 0.990 55.712 54.840 -0.197 0.000 0.852 260 L CB -0.280 41.572 42.059 -0.344 0.000 1.213 260 L HN -0.092 nan 8.230 nan 0.000 0.491 261 Y N 0.087 120.406 120.300 0.031 0.000 2.242 261 Y HA -0.012 4.538 4.550 0.000 0.000 0.291 261 Y C 2.531 178.442 175.900 0.018 0.000 1.137 261 Y CA 1.116 59.242 58.100 0.043 0.000 1.181 261 Y CB -0.830 37.681 38.460 0.084 0.000 0.989 261 Y HN 0.115 nan 8.280 nan 0.000 0.527 262 I N -0.968 119.686 120.570 0.141 0.000 2.394 262 I HA -0.024 4.146 4.170 0.000 0.000 0.251 262 I C 1.177 177.306 176.117 0.021 0.000 1.136 262 I CA 1.246 62.592 61.300 0.075 0.000 1.425 262 I CB -0.324 37.711 38.000 0.057 0.000 1.079 262 I HN 0.317 nan 8.210 nan 0.000 0.425 263 G N -0.888 107.902 108.800 -0.017 0.000 2.337 263 G HA2 0.460 4.420 3.960 0.000 0.000 0.298 263 G HA3 0.460 4.420 3.960 0.000 0.000 0.298 263 G C -0.959 173.795 174.900 -0.243 0.000 1.335 263 G CA -0.207 44.816 45.100 -0.128 0.000 0.875 263 G HN 0.414 nan 8.290 nan 0.000 0.579 264 G N -0.907 107.486 108.800 -0.680 0.000 2.321 264 G HA2 0.706 4.666 3.960 0.000 0.000 0.298 264 G HA3 0.706 4.666 3.960 0.000 0.000 0.298 264 G C -3.495 170.780 174.900 -1.042 0.000 1.385 264 G CA 0.165 44.817 45.100 -0.746 0.000 0.856 264 G HN 0.822 nan 8.290 nan 0.000 0.584 265 P HA 0.509 nan 4.420 nan 0.000 0.277 265 P C -0.583 176.625 177.300 -0.152 0.000 1.240 265 P CA -0.296 62.668 63.100 -0.226 0.000 0.798 265 P CB 1.349 33.071 31.700 0.037 0.000 0.979 266 L N 2.020 123.204 121.223 -0.065 0.000 2.305 266 L HA 0.444 4.784 4.340 0.000 0.000 0.284 266 L C 0.393 177.277 176.870 0.023 0.000 1.013 266 L CA -0.204 54.631 54.840 -0.010 0.000 0.819 266 L CB 1.564 43.669 42.059 0.077 0.000 1.227 266 L HN 0.271 nan 8.230 nan 0.000 0.417 267 T N 1.593 116.136 114.554 -0.019 0.000 2.807 267 T HA 0.314 4.664 4.350 0.000 0.000 0.279 267 T C -0.126 174.555 174.700 -0.031 0.000 0.993 267 T CA -0.840 61.249 62.100 -0.018 0.000 0.970 267 T CB 1.358 70.199 68.868 -0.044 0.000 0.950 267 T HN 0.637 nan 8.240 nan 0.000 0.441 268 N N 1.069 119.767 118.700 -0.003 0.000 2.327 268 N HA 0.091 4.831 4.740 0.000 0.000 0.257 268 N C 1.522 177.021 175.510 -0.018 0.000 1.281 268 N CA -0.142 52.905 53.050 -0.005 0.000 0.942 268 N CB 0.113 38.607 38.487 0.010 0.000 1.199 268 N HN 0.447 nan 8.380 nan 0.000 0.532 269 S N -0.697 115.001 115.700 -0.003 0.000 2.400 269 S HA -0.176 4.294 4.470 0.000 0.000 0.232 269 S C 1.097 175.693 174.600 -0.008 0.000 1.025 269 S CA 0.972 59.173 58.200 0.002 0.000 0.993 269 S CB -0.474 62.739 63.200 0.022 0.000 0.808 269 S HN 0.660 nan 8.310 nan 0.000 0.478 270 K N 0.722 121.119 120.400 -0.006 0.000 2.444 270 K HA 0.298 4.618 4.320 0.000 0.000 0.193 270 K C 1.225 177.816 176.600 -0.015 0.000 1.024 270 K CA 0.377 56.659 56.287 -0.009 0.000 1.077 270 K CB -0.007 32.492 32.500 -0.002 0.000 0.833 270 K HN 0.571 nan 8.250 nan 0.000 0.517 271 G N 1.389 110.177 108.800 -0.020 0.000 2.176 271 G HA2 -0.264 3.696 3.960 0.000 0.000 0.232 271 G HA3 -0.264 3.696 3.960 0.000 0.000 0.232 271 G C -0.238 174.655 174.900 -0.011 0.000 0.986 271 G CA -0.302 44.783 45.100 -0.026 0.000 0.643 271 G HN 0.327 nan 8.290 nan 0.000 0.522 272 Q N 0.233 120.033 119.800 0.001 0.000 2.260 272 Q HA 0.388 4.728 4.340 0.000 0.000 0.242 272 Q C 0.311 176.328 176.000 0.029 0.000 0.932 272 Q CA -0.544 55.268 55.803 0.015 0.000 0.891 272 Q CB 0.875 29.625 28.738 0.020 0.000 1.222 272 Q HN 0.326 nan 8.270 nan 0.000 0.453 273 N N 1.165 119.890 118.700 0.042 0.000 2.411 273 N HA 0.040 4.780 4.740 0.000 0.000 0.259 273 N C -0.415 175.155 175.510 0.099 0.000 1.103 273 N CA -0.311 52.778 53.050 0.064 0.000 0.954 273 N CB 0.617 39.142 38.487 0.063 0.000 1.085 273 N HN 0.619 nan 8.380 nan 0.000 0.485 274 C N 2.727 122.110 119.300 0.139 0.000 2.674 274 C HA 0.421 4.881 4.460 0.000 0.000 0.276 274 C C 1.268 176.472 174.990 0.357 0.000 1.300 274 C CA 0.377 59.538 59.018 0.239 0.000 1.732 274 C CB -0.831 27.075 27.740 0.276 0.000 2.076 274 C HN 0.944 nan 8.230 nan 0.000 0.548 275 G N -1.250 107.677 108.800 0.211 0.000 2.403 275 G HA2 0.285 4.245 3.960 0.000 0.000 0.223 275 G HA3 0.285 4.245 3.960 0.000 0.000 0.223 275 G C -2.112 172.828 174.900 0.068 0.000 1.287 275 G CA -0.351 44.816 45.100 0.112 0.000 0.982 275 G HN 0.041 nan 8.290 nan 0.000 0.471 276 Y N 0.734 120.906 120.300 -0.213 0.000 2.441 276 Y HA 0.723 5.273 4.550 0.000 0.000 0.334 276 Y C -0.109 175.653 175.900 -0.229 0.000 1.061 276 Y CA -0.785 57.214 58.100 -0.168 0.000 1.032 276 Y CB 1.913 40.289 38.460 -0.140 0.000 1.266 276 Y HN 0.714 nan 8.280 nan 0.000 0.441 277 R N 4.859 125.097 120.500 -0.437 0.000 2.407 277 R HA 0.575 4.915 4.340 0.000 0.000 0.303 277 R C -0.700 175.405 176.300 -0.326 0.000 0.981 277 R CA -0.593 55.256 56.100 -0.418 0.000 0.905 277 R CB 0.944 31.067 30.300 -0.294 0.000 1.099 277 R HN 0.904 nan 8.270 nan 0.000 0.459 278 R N 3.305 123.608 120.500 -0.329 0.000 2.690 278 R HA 0.214 4.554 4.340 0.000 0.000 0.419 278 R C -0.601 175.570 176.300 -0.215 0.000 1.090 278 R CA -0.324 55.676 56.100 -0.166 0.000 1.064 278 R CB 0.451 30.704 30.300 -0.078 0.000 1.391 278 R HN 0.780 nan 8.270 nan 0.000 0.586 279 C N -1.729 117.397 119.300 -0.290 0.000 3.336 279 C HA 0.625 5.085 4.460 0.000 0.000 0.352 279 C C -0.223 174.707 174.990 -0.100 0.000 1.567 279 C CA -1.523 57.366 59.018 -0.215 0.000 1.328 279 C CB 1.356 28.899 27.740 -0.329 0.000 1.922 279 C HN 0.424 nan 8.230 nan 0.000 0.439 280 R N 1.285 121.779 120.500 -0.011 0.000 2.522 280 R HA 0.483 4.823 4.340 0.000 0.000 0.284 280 R C 0.109 176.471 176.300 0.103 0.000 1.032 280 R CA 1.008 57.153 56.100 0.076 0.000 1.049 280 R CB -0.060 30.321 30.300 0.136 0.000 0.956 280 R HN 1.243 nan 8.270 nan 0.000 0.422 281 A N 3.437 126.334 122.820 0.128 0.000 2.354 281 A HA 0.241 4.561 4.320 0.000 0.000 0.269 281 A C 0.928 178.618 177.584 0.176 0.000 1.109 281 A CA 0.027 52.160 52.037 0.160 0.000 0.800 281 A CB 0.547 19.649 19.000 0.170 0.000 1.045 281 A HN 1.018 nan 8.150 nan 0.000 0.489 282 S N 1.734 117.551 115.700 0.195 0.000 2.489 282 S HA 0.088 4.558 4.470 0.000 0.000 0.228 282 S C 1.070 175.771 174.600 0.169 0.000 0.995 282 S CA 0.711 59.020 58.200 0.182 0.000 0.934 282 S CB 0.067 63.380 63.200 0.188 0.000 0.771 282 S HN 1.285 nan 8.310 nan 0.000 0.522 283 G N 1.926 110.849 108.800 0.205 0.000 4.644 283 G HA2 0.522 4.482 3.960 0.000 0.000 0.307 283 G HA3 0.522 4.482 3.960 0.000 0.000 0.307 283 G C -0.204 174.826 174.900 0.216 0.000 1.331 283 G CA -0.131 45.096 45.100 0.211 0.000 1.059 283 G HN 0.577 nan 8.290 nan 0.000 0.590 284 V N -2.503 117.521 119.914 0.183 0.000 2.960 284 V HA 0.580 4.701 4.120 0.000 0.000 0.315 284 V C 1.362 177.530 176.094 0.123 0.000 1.087 284 V CA -0.949 61.471 62.300 0.200 0.000 0.982 284 V CB 1.787 33.796 31.823 0.310 0.000 1.039 284 V HN 0.071 nan 8.190 nan 0.000 0.437 285 L N 2.827 124.133 121.223 0.138 0.000 2.081 285 L HA -0.095 4.245 4.340 0.000 0.000 0.212 285 L C 2.370 179.241 176.870 0.002 0.000 1.080 285 L CA 3.159 58.060 54.840 0.102 0.000 0.754 285 L CB -0.598 41.546 42.059 0.141 0.000 0.893 285 L HN 1.114 nan 8.230 nan 0.000 0.433 286 T N -6.119 108.355 114.554 -0.134 0.000 3.169 286 T HA 0.008 4.358 4.350 0.000 0.000 0.250 286 T C 1.540 176.174 174.700 -0.110 0.000 1.111 286 T CA 0.673 62.646 62.100 -0.212 0.000 1.010 286 T CB -0.629 67.946 68.868 -0.487 0.000 0.984 286 T HN 0.274 nan 8.240 nan 0.000 0.537 287 T N 1.863 116.390 114.554 -0.045 0.000 2.684 287 T HA -0.152 4.198 4.350 0.000 0.000 0.267 287 T C 2.194 176.913 174.700 0.032 0.000 1.036 287 T CA 1.752 63.866 62.100 0.024 0.000 1.148 287 T CB -0.578 68.329 68.868 0.065 0.000 0.863 287 T HN 0.541 nan 8.240 nan 0.000 0.436 288 S N -0.296 115.398 115.700 -0.010 0.000 2.345 288 S HA -0.130 4.340 4.470 0.000 0.000 0.219 288 S C 2.445 177.062 174.600 0.029 0.000 1.031 288 S CA 1.248 59.438 58.200 -0.016 0.000 0.984 288 S CB -0.932 62.156 63.200 -0.187 0.000 0.874 288 S HN 0.664 nan 8.310 nan 0.000 0.451 289 C N 1.363 120.645 119.300 -0.029 0.000 2.413 289 C HA 0.066 4.526 4.460 0.000 0.000 0.276 289 C C 2.841 177.868 174.990 0.061 0.000 1.236 289 C CA 1.217 60.229 59.018 -0.010 0.000 1.735 289 C CB -1.799 25.900 27.740 -0.069 0.000 2.031 289 C HN 0.715 nan 8.230 nan 0.000 0.474 290 G N 0.437 109.288 108.800 0.084 0.000 2.446 290 G HA2 -0.246 3.714 3.960 0.000 0.000 0.217 290 G HA3 -0.246 3.714 3.960 0.000 0.000 0.217 290 G C 1.487 176.471 174.900 0.140 0.000 1.168 290 G CA 1.206 46.370 45.100 0.107 0.000 0.771 290 G HN 0.599 nan 8.290 nan 0.000 0.551 291 N N 0.277 119.065 118.700 0.147 0.000 2.166 291 N HA -0.068 4.672 4.740 0.000 0.000 0.186 291 N C 2.380 177.938 175.510 0.080 0.000 1.019 291 N CA 1.585 54.727 53.050 0.153 0.000 0.856 291 N CB -0.601 37.877 38.487 -0.014 0.000 0.993 291 N HN 0.274 nan 8.380 nan 0.000 0.426 292 T N 1.292 115.900 114.554 0.090 0.000 2.732 292 T HA 0.040 4.390 4.350 0.000 0.000 0.261 292 T C 2.112 176.880 174.700 0.114 0.000 1.040 292 T CA 0.608 62.769 62.100 0.102 0.000 1.145 292 T CB -0.309 68.669 68.868 0.184 0.000 0.866 292 T HN 0.100 nan 8.240 nan 0.000 0.427 293 L N 0.708 121.975 121.223 0.074 0.000 2.012 293 L HA -0.145 4.195 4.340 0.000 0.000 0.210 293 L C 2.948 179.905 176.870 0.145 0.000 1.073 293 L CA 1.337 56.217 54.840 0.065 0.000 0.748 293 L CB -1.072 40.988 42.059 0.002 0.000 0.891 293 L HN 0.283 nan 8.230 nan 0.000 0.431 294 T N -1.386 113.269 114.554 0.169 0.000 2.777 294 T HA -0.223 4.127 4.350 0.000 0.000 0.266 294 T C 2.010 176.889 174.700 0.298 0.000 1.040 294 T CA 1.429 63.656 62.100 0.212 0.000 1.141 294 T CB -0.413 68.605 68.868 0.251 0.000 0.868 294 T HN 0.493 nan 8.240 nan 0.000 0.444 295 C N 0.611 120.139 119.300 0.379 0.000 2.429 295 C HA -0.072 4.388 4.460 0.000 0.000 0.277 295 C C 2.365 177.512 174.990 0.262 0.000 1.262 295 C CA 0.469 59.711 59.018 0.373 0.000 1.733 295 C CB -1.402 26.461 27.740 0.206 0.000 2.010 295 C HN 0.654 nan 8.230 nan 0.000 0.483 296 Y N 1.039 121.397 120.300 0.096 0.000 2.145 296 Y HA -0.100 4.450 4.550 0.000 0.000 0.286 296 Y C 2.210 178.127 175.900 0.027 0.000 1.145 296 Y CA 2.052 60.186 58.100 0.056 0.000 1.148 296 Y CB -0.629 37.847 38.460 0.026 0.000 0.981 296 Y HN 0.328 nan 8.280 nan 0.000 0.507 297 L N 1.308 122.608 121.223 0.129 0.000 1.978 297 L HA -0.280 4.060 4.340 0.000 0.000 0.218 297 L C 2.156 178.949 176.870 -0.127 0.000 1.075 297 L CA 2.202 56.993 54.840 -0.081 0.000 0.767 297 L CB -1.048 40.939 42.059 -0.121 0.000 0.890 297 L HN 0.213 nan 8.230 nan 0.000 0.434 298 K N -0.699 119.704 120.400 0.006 0.000 2.026 298 K HA -0.122 4.198 4.320 0.000 0.000 0.208 298 K C 2.057 178.705 176.600 0.079 0.000 1.048 298 K CA 1.499 57.834 56.287 0.081 0.000 0.929 298 K CB -0.481 32.135 32.500 0.193 0.000 0.713 298 K HN 0.524 nan 8.250 nan 0.000 0.439 299 A N 1.133 123.978 122.820 0.040 0.000 1.930 299 A HA -0.142 4.178 4.320 0.000 0.000 0.217 299 A C 2.229 179.836 177.584 0.038 0.000 1.175 299 A CA 1.793 53.867 52.037 0.062 0.000 0.627 299 A CB -0.497 18.619 19.000 0.192 0.000 0.815 299 A HN 0.185 nan 8.150 nan 0.000 0.443 300 S N 0.155 115.764 115.700 -0.151 0.000 2.356 300 S HA -0.087 4.383 4.470 0.000 0.000 0.223 300 S C 2.344 176.894 174.600 -0.084 0.000 1.032 300 S CA 1.284 59.361 58.200 -0.207 0.000 1.005 300 S CB -0.579 62.345 63.200 -0.460 0.000 0.867 300 S HN 0.817 nan 8.310 nan 0.000 0.449 301 A N 1.704 124.493 122.820 -0.050 0.000 1.883 301 A HA 0.016 4.336 4.320 0.000 0.000 0.217 301 A C 2.367 180.009 177.584 0.098 0.000 1.186 301 A CA 1.873 53.950 52.037 0.068 0.000 0.624 301 A CB -1.155 17.911 19.000 0.110 0.000 0.822 301 A HN 0.544 nan 8.150 nan 0.000 0.444 302 A N -1.377 121.489 122.820 0.076 0.000 2.015 302 A HA -0.122 4.198 4.320 0.000 0.000 0.219 302 A C 2.244 179.830 177.584 0.003 0.000 1.163 302 A CA 1.557 53.484 52.037 -0.183 0.000 0.646 302 A CB -1.146 17.366 19.000 -0.812 0.000 0.806 302 A HN 0.602 nan 8.150 nan 0.000 0.448 303 C N -0.928 118.474 119.300 0.169 0.000 2.440 303 C HA -0.056 4.404 4.460 0.000 0.000 0.278 303 C C 2.885 177.887 174.990 0.020 0.000 1.295 303 C CA 1.014 60.162 59.018 0.217 0.000 1.738 303 C CB -1.212 26.620 27.740 0.154 0.000 1.987 303 C HN 0.617 nan 8.230 nan 0.000 0.492 304 R N 1.122 121.547 120.500 -0.124 0.000 2.066 304 R HA -0.069 4.271 4.340 0.000 0.000 0.232 304 R C 2.469 178.511 176.300 -0.430 0.000 1.131 304 R CA 1.530 57.439 56.100 -0.318 0.000 0.955 304 R CB -0.632 29.369 30.300 -0.498 0.000 0.851 304 R HN 0.511 nan 8.270 nan 0.000 0.432 305 A N 1.619 124.176 122.820 -0.439 0.000 1.892 305 A HA -0.204 4.116 4.320 0.000 0.000 0.218 305 A C 2.334 179.888 177.584 -0.051 0.000 1.188 305 A CA 2.062 53.997 52.037 -0.170 0.000 0.631 305 A CB -0.745 18.220 19.000 -0.058 0.000 0.822 305 A HN 0.431 nan 8.150 nan 0.000 0.447 306 A N -1.751 121.063 122.820 -0.009 0.000 2.167 306 A HA 0.204 4.525 4.320 0.000 0.000 0.214 306 A C 1.047 178.645 177.584 0.024 0.000 1.151 306 A CA 1.073 53.135 52.037 0.041 0.000 0.735 306 A CB -0.418 18.662 19.000 0.134 0.000 0.802 306 A HN 0.550 nan 8.150 nan 0.000 0.467 307 K N -1.566 118.834 120.400 -0.001 0.000 3.125 307 K HA -0.138 4.182 4.320 0.000 0.000 0.268 307 K C -1.026 175.582 176.600 0.013 0.000 1.078 307 K CA 0.148 56.436 56.287 0.001 0.000 0.775 307 K CB -1.776 30.729 32.500 0.008 0.000 1.253 307 K HN 0.293 nan 8.250 nan 0.000 0.486 308 L N 1.471 122.711 121.223 0.028 0.000 2.367 308 L HA 0.126 4.466 4.340 0.000 0.000 0.275 308 L C 0.928 177.807 176.870 0.015 0.000 1.129 308 L CA 0.626 55.486 54.840 0.033 0.000 0.839 308 L CB 0.963 43.064 42.059 0.069 0.000 1.133 308 L HN 0.213 nan 8.230 nan 0.000 0.453 309 Q N 2.296 122.099 119.800 0.006 0.000 2.288 309 Q HA 0.079 4.419 4.340 0.000 0.000 0.258 309 Q C -0.095 175.895 176.000 -0.016 0.000 0.957 309 Q CA -0.220 55.579 55.803 -0.006 0.000 0.919 309 Q CB 0.388 29.120 28.738 -0.011 0.000 1.185 309 Q HN 0.591 nan 8.270 nan 0.000 0.408 310 D N 1.833 122.224 120.400 -0.016 0.000 2.708 310 D HA -0.182 4.458 4.640 0.000 0.000 0.236 310 D C -1.041 175.242 176.300 -0.028 0.000 1.146 310 D CA 0.577 54.563 54.000 -0.024 0.000 0.662 310 D CB -1.273 39.503 40.800 -0.039 0.000 1.059 310 D HN 0.561 nan 8.370 nan 0.000 0.428 311 C N -0.709 118.583 119.300 -0.013 0.000 2.536 311 C HA 0.780 5.240 4.460 0.000 0.000 0.396 311 C C 0.775 175.762 174.990 -0.005 0.000 1.279 311 C CA -0.729 58.279 59.018 -0.016 0.000 2.148 311 C CB 1.047 28.785 27.740 -0.002 0.000 2.584 311 C HN 0.414 nan 8.230 nan 0.000 0.579 312 T N 5.030 119.577 114.554 -0.012 0.000 2.792 312 T HA 0.544 4.894 4.350 0.000 0.000 0.280 312 T C -0.084 174.642 174.700 0.043 0.000 0.990 312 T CA -0.233 61.889 62.100 0.037 0.000 0.960 312 T CB 0.967 69.835 68.868 -0.001 0.000 0.939 312 T HN 0.687 nan 8.240 nan 0.000 0.439 313 M N 3.104 122.769 119.600 0.108 0.000 2.478 313 M HA 0.646 5.126 4.480 0.000 0.000 0.327 313 M C -1.146 175.264 176.300 0.183 0.000 1.187 313 M CA -1.144 54.214 55.300 0.096 0.000 1.022 313 M CB 1.649 34.316 32.600 0.111 0.000 1.629 313 M HN 0.313 nan 8.290 nan 0.000 0.461 314 L N 2.458 123.749 121.223 0.114 0.000 2.439 314 L HA 0.661 5.001 4.340 0.000 0.000 0.270 314 L C -1.560 175.308 176.870 -0.004 0.000 0.972 314 L CA -0.475 54.419 54.840 0.090 0.000 0.836 314 L CB 1.931 44.075 42.059 0.140 0.000 1.255 314 L HN 0.510 nan 8.230 nan 0.000 0.404 315 V N 4.338 124.222 119.914 -0.050 0.000 2.531 315 V HA 0.563 4.683 4.120 0.000 0.000 0.301 315 V C -0.812 175.110 176.094 -0.287 0.000 1.034 315 V CA -0.637 61.618 62.300 -0.076 0.000 0.865 315 V CB 1.966 33.835 31.823 0.078 0.000 0.995 315 V HN 0.782 nan 8.190 nan 0.000 0.424 316 N N 3.798 122.256 118.700 -0.402 0.000 2.626 316 N HA 0.629 5.369 4.740 0.000 0.000 0.249 316 N C 0.673 176.004 175.510 -0.297 0.000 1.021 316 N CA 0.584 53.138 53.050 -0.826 0.000 0.886 316 N CB 1.727 39.519 38.487 -1.157 0.000 1.149 316 N HN 1.021 nan 8.380 nan 0.000 0.517 317 G N 2.670 111.476 108.800 0.010 0.000 2.634 317 G HA2 -0.419 3.542 3.960 0.000 0.000 0.318 317 G HA3 -0.419 3.542 3.960 0.000 0.000 0.318 317 G C 0.564 175.331 174.900 -0.222 0.000 1.207 317 G CA 0.932 46.045 45.100 0.021 0.000 0.987 317 G HN 0.629 nan 8.290 nan 0.000 0.547 318 D N 1.085 121.268 120.400 -0.362 0.000 2.339 318 D HA 0.139 4.779 4.640 0.000 0.000 0.217 318 D C 0.497 176.677 176.300 -0.200 0.000 1.050 318 D CA 0.814 54.442 54.000 -0.621 0.000 0.856 318 D CB -0.062 40.239 40.800 -0.831 0.000 0.922 318 D HN 0.419 nan 8.370 nan 0.000 0.518 319 D N 0.723 121.052 120.400 -0.119 0.000 2.295 319 D HA 0.266 4.906 4.640 0.000 0.000 0.248 319 D C -1.014 175.261 176.300 -0.042 0.000 1.154 319 D CA -0.540 53.429 54.000 -0.051 0.000 0.857 319 D CB 1.008 41.769 40.800 -0.066 0.000 1.117 319 D HN 0.035 nan 8.370 nan 0.000 0.468 320 L N 5.421 126.662 121.223 0.030 0.000 2.381 320 L HA 0.501 4.841 4.340 0.000 0.000 0.274 320 L C -1.695 175.165 176.870 -0.016 0.000 0.988 320 L CA -0.709 54.155 54.840 0.040 0.000 0.824 320 L CB 1.799 43.952 42.059 0.158 0.000 1.263 320 L HN 0.157 nan 8.230 nan 0.000 0.410 321 V N 5.929 125.796 119.914 -0.079 0.000 2.735 321 V HA 0.789 4.909 4.120 0.000 0.000 0.310 321 V C -1.257 174.677 176.094 -0.266 0.000 1.061 321 V CA -0.402 61.791 62.300 -0.179 0.000 0.913 321 V CB 2.457 34.217 31.823 -0.107 0.000 1.005 321 V HN 0.580 nan 8.190 nan 0.000 0.428 322 V N 7.356 126.939 119.914 -0.553 0.000 2.540 322 V HA 0.595 4.715 4.120 0.000 0.000 0.302 322 V C -0.491 175.388 176.094 -0.358 0.000 1.035 322 V CA -0.461 61.517 62.300 -0.536 0.000 0.873 322 V CB 1.782 33.047 31.823 -0.929 0.000 0.992 322 V HN 0.738 nan 8.190 nan 0.000 0.428 323 I N 4.935 125.418 120.570 -0.146 0.000 2.465 323 I HA 0.726 4.896 4.170 0.000 0.000 0.291 323 I C -0.028 176.043 176.117 -0.078 0.000 1.014 323 I CA -0.262 61.008 61.300 -0.051 0.000 1.093 323 I CB 1.746 39.765 38.000 0.032 0.000 1.267 323 I HN 0.899 nan 8.210 nan 0.000 0.431 324 C N 2.059 121.309 119.300 -0.083 0.000 3.336 324 C HA 0.685 5.145 4.460 0.000 0.000 0.352 324 C C -0.370 174.547 174.990 -0.122 0.000 1.567 324 C CA -0.877 58.093 59.018 -0.080 0.000 1.328 324 C CB 1.381 29.112 27.740 -0.015 0.000 1.922 324 C HN 0.711 nan 8.230 nan 0.000 0.439 325 E N 1.495 121.642 120.200 -0.088 0.000 2.223 325 E HA 0.423 4.773 4.350 0.000 0.000 0.282 325 E C 0.186 176.759 176.600 -0.045 0.000 1.046 325 E CA 0.532 56.879 56.400 -0.089 0.000 0.857 325 E CB 0.932 30.592 29.700 -0.067 0.000 1.055 325 E HN 0.779 nan 8.360 nan 0.000 0.409 326 S N 3.015 118.695 115.700 -0.033 0.000 2.562 326 S HA 0.350 4.820 4.470 0.000 0.000 0.281 326 S C 0.315 174.925 174.600 0.016 0.000 1.333 326 S CA 0.243 58.468 58.200 0.041 0.000 1.052 326 S CB 0.547 63.823 63.200 0.126 0.000 0.884 326 S HN 0.571 nan 8.310 nan 0.000 0.506 327 A N 3.372 126.209 122.820 0.028 0.000 2.594 327 A HA 0.654 4.974 4.320 0.000 0.000 0.287 327 A C 0.811 178.400 177.584 0.008 0.000 1.227 327 A CA 0.199 52.241 52.037 0.009 0.000 0.952 327 A CB -0.846 18.158 19.000 0.008 0.000 1.161 327 A HN 1.870 nan 8.150 nan 0.000 0.524 328 G N -1.111 107.695 108.800 0.011 0.000 2.663 328 G HA2 0.043 4.003 3.960 0.000 0.000 0.686 328 G HA3 0.043 4.003 3.960 0.000 0.000 0.686 328 G C 0.604 175.511 174.900 0.011 0.000 1.246 328 G CA 0.228 45.319 45.100 -0.015 0.000 0.795 328 G HN 1.227 nan 8.290 nan 0.000 0.627 329 T N -2.225 112.304 114.554 -0.042 0.000 2.857 329 T HA -0.063 4.287 4.350 0.000 0.000 0.266 329 T C 1.991 176.719 174.700 0.046 0.000 1.048 329 T CA 2.133 64.234 62.100 0.002 0.000 1.139 329 T CB -0.092 68.696 68.868 -0.133 0.000 0.874 329 T HN 0.521 nan 8.240 nan 0.000 0.455 330 Q N 0.981 120.788 119.800 0.011 0.000 2.083 330 Q HA -0.024 4.316 4.340 0.000 0.000 0.198 330 Q C 2.322 178.330 176.000 0.014 0.000 0.969 330 Q CA 1.601 57.411 55.803 0.012 0.000 0.838 330 Q CB -0.293 28.445 28.738 -0.000 0.000 0.900 330 Q HN 0.678 nan 8.270 nan 0.000 0.436 331 E N 0.940 121.148 120.200 0.013 0.000 2.051 331 E HA -0.154 4.196 4.350 0.000 0.000 0.192 331 E C 1.710 178.317 176.600 0.013 0.000 0.991 331 E CA 1.214 57.620 56.400 0.011 0.000 0.799 331 E CB -0.170 29.536 29.700 0.009 0.000 0.748 331 E HN 0.261 nan 8.360 nan 0.000 0.449 332 D N 0.234 120.655 120.400 0.035 0.000 2.116 332 D HA -0.193 4.447 4.640 0.000 0.000 0.193 332 D C 1.821 178.109 176.300 -0.020 0.000 0.998 332 D CA 1.722 55.740 54.000 0.030 0.000 0.836 332 D CB -0.419 40.459 40.800 0.130 0.000 0.951 332 D HN 0.235 nan 8.370 nan 0.000 0.449 333 A N 0.560 123.385 122.820 0.007 0.000 1.930 333 A HA 0.049 4.369 4.320 0.000 0.000 0.217 333 A C 2.264 179.829 177.584 -0.032 0.000 1.175 333 A CA 2.022 54.048 52.037 -0.018 0.000 0.627 333 A CB -0.616 18.392 19.000 0.014 0.000 0.815 333 A HN 0.237 nan 8.150 nan 0.000 0.443 334 A N -0.647 122.164 122.820 -0.015 0.000 1.873 334 A HA -0.046 4.274 4.320 0.000 0.000 0.215 334 A C 2.413 179.988 177.584 -0.016 0.000 1.186 334 A CA 1.906 53.936 52.037 -0.012 0.000 0.616 334 A CB -0.957 18.041 19.000 -0.003 0.000 0.823 334 A HN 0.416 nan 8.150 nan 0.000 0.442 335 S N -0.354 115.333 115.700 -0.022 0.000 2.402 335 S HA -0.144 4.326 4.470 0.000 0.000 0.233 335 S C 1.811 176.391 174.600 -0.033 0.000 1.030 335 S CA 1.438 59.627 58.200 -0.018 0.000 1.003 335 S CB -0.420 62.766 63.200 -0.025 0.000 0.813 335 S HN 0.495 nan 8.310 nan 0.000 0.477 336 L N 0.534 121.687 121.223 -0.117 0.000 2.056 336 L HA -0.082 4.259 4.340 0.000 0.000 0.207 336 L C 2.629 179.492 176.870 -0.012 0.000 1.078 336 L CA 1.137 55.858 54.840 -0.198 0.000 0.749 336 L CB -0.229 41.630 42.059 -0.334 0.000 0.901 336 L HN 0.229 nan 8.230 nan 0.000 0.433 337 R N -0.999 119.497 120.500 -0.006 0.000 2.083 337 R HA -0.179 4.162 4.340 0.000 0.000 0.237 337 R C 2.122 178.441 176.300 0.032 0.000 1.137 337 R CA 1.646 57.760 56.100 0.022 0.000 0.951 337 R CB -0.659 29.644 30.300 0.005 0.000 0.851 337 R HN 0.183 nan 8.270 nan 0.000 0.434 338 V N 0.757 120.686 119.914 0.025 0.000 2.287 338 V HA -0.271 3.849 4.120 0.000 0.000 0.248 338 V C 1.962 178.060 176.094 0.007 0.000 1.053 338 V CA 1.940 64.245 62.300 0.008 0.000 1.027 338 V CB -0.612 31.217 31.823 0.011 0.000 0.646 338 V HN 0.246 nan 8.190 nan 0.000 0.447 339 F N 1.423 121.322 119.950 -0.085 0.000 2.091 339 F HA -0.276 4.251 4.527 0.000 0.000 0.299 339 F C 2.397 178.136 175.800 -0.102 0.000 1.103 339 F CA 2.447 60.392 58.000 -0.092 0.000 1.228 339 F CB -0.491 38.455 39.000 -0.089 0.000 0.984 339 F HN 0.124 nan 8.300 nan 0.000 0.477 340 T N -0.213 114.413 114.554 0.120 0.000 2.904 340 T HA -0.131 4.219 4.350 0.000 0.000 0.267 340 T C 1.668 176.344 174.700 -0.040 0.000 1.059 340 T CA 1.460 63.638 62.100 0.130 0.000 1.137 340 T CB -0.245 68.787 68.868 0.272 0.000 0.879 340 T HN 0.381 nan 8.240 nan 0.000 0.467 341 E N 1.227 121.384 120.200 -0.071 0.000 2.051 341 E HA -0.066 4.284 4.350 0.000 0.000 0.192 341 E C 2.560 179.014 176.600 -0.243 0.000 0.991 341 E CA 1.048 57.378 56.400 -0.116 0.000 0.799 341 E CB -0.215 29.435 29.700 -0.084 0.000 0.748 341 E HN 0.456 nan 8.360 nan 0.000 0.449 342 A N 1.233 123.845 122.820 -0.348 0.000 1.877 342 A HA -0.204 4.116 4.320 0.000 0.000 0.216 342 A C 2.170 179.284 177.584 -0.783 0.000 1.186 342 A CA 1.375 53.044 52.037 -0.613 0.000 0.620 342 A CB -0.362 18.299 19.000 -0.564 0.000 0.822 342 A HN 0.129 nan 8.150 nan 0.000 0.443 343 M N -0.301 118.946 119.600 -0.588 0.000 2.108 343 M HA -0.118 4.362 4.480 0.000 0.000 0.261 343 M C 2.201 178.400 176.300 -0.169 0.000 1.066 343 M CA 2.067 57.137 55.300 -0.385 0.000 1.107 343 M CB -1.902 30.400 32.600 -0.496 0.000 1.356 343 M HN 0.475 nan 8.290 nan 0.000 0.406 344 T N 0.091 114.560 114.554 -0.141 0.000 2.708 344 T HA -0.119 4.231 4.350 0.000 0.000 0.266 344 T C 1.964 176.604 174.700 -0.099 0.000 1.037 344 T CA 1.140 63.201 62.100 -0.065 0.000 1.146 344 T CB -0.239 68.602 68.868 -0.044 0.000 0.865 344 T HN 0.372 nan 8.240 nan 0.000 0.435 345 R N 0.104 120.485 120.500 -0.198 0.000 2.117 345 R HA -0.098 4.242 4.340 0.000 0.000 0.243 345 R C 1.800 178.060 176.300 -0.068 0.000 1.143 345 R CA 1.269 57.262 56.100 -0.178 0.000 0.968 345 R CB -0.351 29.785 30.300 -0.274 0.000 0.863 345 R HN 0.442 nan 8.270 nan 0.000 0.444 346 Y N 0.042 120.281 120.300 -0.102 0.000 2.553 346 Y HA 0.080 4.630 4.550 0.000 0.000 0.303 346 Y C 0.939 176.783 175.900 -0.092 0.000 1.194 346 Y CA -0.296 57.733 58.100 -0.118 0.000 1.305 346 Y CB -0.316 38.099 38.460 -0.075 0.000 1.045 346 Y HN -0.032 nan 8.280 nan 0.000 0.514 347 S N -0.146 115.590 115.700 0.059 0.000 3.884 347 S HA -0.115 4.355 4.470 0.000 0.000 0.374 347 S C -0.025 174.593 174.600 0.029 0.000 0.971 347 S CA 0.461 58.682 58.200 0.036 0.000 1.152 347 S CB -1.419 61.790 63.200 0.015 0.000 0.877 347 S HN 0.687 nan 8.310 nan 0.000 0.491 348 A N 1.833 124.690 122.820 0.062 0.000 3.370 348 A HA 0.597 4.918 4.320 0.000 0.000 0.295 348 A C -2.280 175.434 177.584 0.217 0.000 1.030 348 A CA -0.774 51.334 52.037 0.119 0.000 0.883 348 A CB 0.987 20.087 19.000 0.165 0.000 1.191 348 A HN 0.434 nan 8.150 nan 0.000 0.507 349 P HA 0.410 nan 4.420 nan 0.000 0.276 349 P C -2.999 174.382 177.300 0.136 0.000 1.252 349 P CA -1.475 61.705 63.100 0.134 0.000 0.802 349 P CB 0.810 32.518 31.700 0.014 0.000 1.035 350 P HA 0.146 nan 4.420 nan 0.000 0.281 350 P C 0.661 177.906 177.300 -0.092 0.000 1.249 350 P CA 0.015 63.039 63.100 -0.126 0.000 0.810 350 P CB 0.889 32.503 31.700 -0.143 0.000 1.008 351 G N 1.758 110.490 108.800 -0.114 0.000 2.658 351 G HA2 -0.005 3.955 3.960 0.000 0.000 0.217 351 G HA3 -0.005 3.955 3.960 0.000 0.000 0.217 351 G C -0.080 174.781 174.900 -0.066 0.000 1.319 351 G CA 0.161 45.224 45.100 -0.063 0.000 0.885 351 G HN 0.463 nan 8.290 nan 0.000 0.553 352 D N 2.296 122.653 120.400 -0.073 0.000 2.350 352 D HA 0.283 4.923 4.640 0.000 0.000 0.249 352 D C -2.132 174.125 176.300 -0.073 0.000 1.119 352 D CA -0.886 53.081 54.000 -0.055 0.000 0.886 352 D CB 1.413 42.191 40.800 -0.038 0.000 1.195 352 D HN 0.082 nan 8.370 nan 0.000 0.437 353 P HA 0.139 nan 4.420 nan 0.000 0.271 353 P C -2.372 174.927 177.300 -0.002 0.000 1.220 353 P CA -1.010 62.082 63.100 -0.014 0.000 0.768 353 P CB -0.060 31.642 31.700 0.002 0.000 0.848 354 P HA 0.096 nan 4.420 nan 0.000 0.272 354 P C -0.706 176.599 177.300 0.009 0.000 1.230 354 P CA 0.128 63.270 63.100 0.071 0.000 0.788 354 P CB 0.705 32.523 31.700 0.196 0.000 0.949 355 Q N 0.873 120.688 119.800 0.023 0.000 2.345 355 Q HA 0.546 4.886 4.340 0.000 0.000 0.275 355 Q C -2.993 173.000 176.000 -0.013 0.000 1.063 355 Q CA -2.325 53.472 55.803 -0.010 0.000 0.819 355 Q CB 2.214 30.960 28.738 0.014 0.000 1.356 355 Q HN 0.173 nan 8.270 nan 0.000 0.418 356 P HA 0.201 nan 4.420 nan 0.000 0.276 356 P C -0.981 176.195 177.300 -0.207 0.000 1.230 356 P CA 0.044 63.057 63.100 -0.144 0.000 0.776 356 P CB 0.840 32.451 31.700 -0.149 0.000 0.888 357 E N 2.117 122.151 120.200 -0.277 0.000 2.199 357 E HA 0.230 4.580 4.350 0.000 0.000 0.269 357 E C -0.564 175.846 176.600 -0.316 0.000 0.899 357 E CA -0.452 55.833 56.400 -0.190 0.000 0.772 357 E CB 1.348 31.024 29.700 -0.040 0.000 1.155 357 E HN 0.424 nan 8.360 nan 0.000 0.408 358 Y N 0.183 120.620 120.300 0.228 0.000 2.636 358 Y HA 0.202 4.752 4.550 0.000 0.000 0.260 358 Y C 0.089 176.210 175.900 0.367 0.000 1.177 358 Y CA -0.444 57.842 58.100 0.310 0.000 1.209 358 Y CB 0.924 39.481 38.460 0.162 0.000 1.166 358 Y HN 0.244 nan 8.280 nan 0.000 0.531 359 D N -0.128 120.416 120.400 0.239 0.000 2.736 359 D HA 0.107 4.747 4.640 0.000 0.000 0.243 359 D C 0.463 176.494 176.300 -0.449 0.000 1.304 359 D CA -0.410 53.580 54.000 -0.018 0.000 0.934 359 D CB 1.431 42.246 40.800 0.026 0.000 1.382 359 D HN 0.052 nan 8.370 nan 0.000 0.571 360 L N 3.982 124.565 121.223 -1.068 0.000 2.089 360 L HA -0.118 4.222 4.340 0.000 0.000 0.213 360 L C 1.647 178.199 176.870 -0.529 0.000 1.079 360 L CA 2.007 56.139 54.840 -1.180 0.000 0.758 360 L CB -0.294 40.933 42.059 -1.386 0.000 0.891 360 L HN 0.571 nan 8.230 nan 0.000 0.433 361 E N -0.885 119.103 120.200 -0.352 0.000 2.338 361 E HA -0.160 4.190 4.350 0.000 0.000 0.197 361 E C 1.885 178.398 176.600 -0.144 0.000 1.007 361 E CA 0.752 57.032 56.400 -0.200 0.000 0.849 361 E CB -0.141 29.485 29.700 -0.123 0.000 0.774 361 E HN 0.543 nan 8.360 nan 0.000 0.506 362 L N 0.892 122.029 121.223 -0.143 0.000 2.592 362 L HA 0.208 4.548 4.340 0.000 0.000 0.227 362 L C 0.654 177.478 176.870 -0.076 0.000 1.127 362 L CA -0.072 54.720 54.840 -0.080 0.000 0.884 362 L CB 0.174 42.209 42.059 -0.040 0.000 1.065 362 L HN 0.014 nan 8.230 nan 0.000 0.457 363 I N -0.240 120.259 120.570 -0.119 0.000 2.353 363 I HA 0.135 4.305 4.170 0.000 0.000 0.293 363 I C 0.168 176.247 176.117 -0.063 0.000 0.992 363 I CA 0.075 61.324 61.300 -0.085 0.000 1.268 363 I CB 1.745 39.675 38.000 -0.116 0.000 1.387 363 I HN -0.131 nan 8.210 nan 0.000 0.478 364 T N 4.850 119.387 114.554 -0.027 0.000 2.771 364 T HA 0.512 4.862 4.350 0.000 0.000 0.281 364 T C -0.370 174.330 174.700 -0.000 0.000 0.982 364 T CA -0.585 61.511 62.100 -0.007 0.000 0.978 364 T CB 0.939 69.812 68.868 0.009 0.000 0.930 364 T HN 0.738 nan 8.240 nan 0.000 0.447 365 S N 0.844 116.548 115.700 0.006 0.000 2.541 365 S HA 0.403 4.873 4.470 0.000 0.000 0.271 365 S C 0.068 174.684 174.600 0.027 0.000 1.133 365 S CA -0.808 57.394 58.200 0.004 0.000 0.876 365 S CB 0.600 63.785 63.200 -0.024 0.000 1.105 365 S HN 0.898 nan 8.310 nan 0.000 0.470 366 C N 2.064 121.377 119.300 0.022 0.000 4.114 366 C HA -0.160 4.300 4.460 0.000 0.000 0.300 366 C C 1.285 176.353 174.990 0.130 0.000 1.423 366 C CA 0.780 59.835 59.018 0.061 0.000 2.034 366 C CB -3.312 24.457 27.740 0.048 0.000 1.299 366 C HN 1.811 nan 8.230 nan 0.000 0.727 367 S N -1.707 114.057 115.700 0.107 0.000 3.521 367 S HA -0.186 4.284 4.470 0.000 0.000 0.328 367 S C 0.156 174.841 174.600 0.143 0.000 1.165 367 S CA 1.150 59.422 58.200 0.119 0.000 0.941 367 S CB -1.028 62.260 63.200 0.146 0.000 0.951 367 S HN 1.060 nan 8.310 nan 0.000 0.539 368 S N 1.751 117.532 115.700 0.135 0.000 2.564 368 S HA 0.700 5.170 4.470 0.000 0.000 0.274 368 S C -0.469 174.173 174.600 0.070 0.000 1.124 368 S CA -1.035 57.266 58.200 0.169 0.000 0.869 368 S CB 1.728 65.099 63.200 0.285 0.000 1.105 368 S HN 0.571 nan 8.310 nan 0.000 0.472 369 N N -0.135 118.589 118.700 0.039 0.000 2.265 369 N HA 0.501 5.241 4.740 0.000 0.000 0.300 369 N C -1.119 174.338 175.510 -0.090 0.000 1.148 369 N CA -0.606 52.420 53.050 -0.039 0.000 0.772 369 N CB 1.168 39.623 38.487 -0.053 0.000 1.434 369 N HN 0.318 nan 8.380 nan 0.000 0.481 370 V N 0.635 120.464 119.914 -0.141 0.000 2.637 370 V HA 0.262 4.382 4.120 0.000 0.000 0.296 370 V C 0.604 176.564 176.094 -0.223 0.000 1.046 370 V CA 0.207 62.397 62.300 -0.184 0.000 1.066 370 V CB 0.823 32.531 31.823 -0.192 0.000 0.968 370 V HN 0.863 nan 8.190 nan 0.000 0.483 371 S N 2.766 118.234 115.700 -0.387 0.000 2.720 371 S HA 0.768 5.238 4.470 0.000 0.000 0.287 371 S C -1.295 173.158 174.600 -0.245 0.000 1.168 371 S CA -0.459 57.538 58.200 -0.339 0.000 0.832 371 S CB 2.055 65.019 63.200 -0.394 0.000 1.166 371 S HN 0.728 nan 8.310 nan 0.000 0.493 372 V N 1.402 121.290 119.914 -0.043 0.000 2.588 372 V HA 0.955 5.075 4.120 0.000 0.000 0.304 372 V C -0.171 175.930 176.094 0.011 0.000 1.042 372 V CA 0.303 62.547 62.300 -0.094 0.000 0.877 372 V CB 0.851 32.514 31.823 -0.267 0.000 0.996 372 V HN 1.238 nan 8.190 nan 0.000 0.425 373 A N 5.449 128.172 122.820 -0.162 0.000 2.686 373 A HA 0.880 5.200 4.320 0.000 0.000 0.263 373 A C -0.934 176.302 177.584 -0.581 0.000 1.264 373 A CA -0.608 51.200 52.037 -0.382 0.000 0.799 373 A CB 1.604 20.107 19.000 -0.828 0.000 1.363 373 A HN 0.939 nan 8.150 nan 0.000 0.507 374 H N 0.116 118.855 119.070 -0.552 0.000 2.717 374 H HA 0.331 4.887 4.556 0.000 0.000 0.366 374 H C -1.131 173.921 175.328 -0.460 0.000 1.132 374 H CA -0.554 55.195 56.048 -0.498 0.000 1.180 374 H CB 1.869 31.290 29.762 -0.568 0.000 1.678 374 H HN 0.905 nan 8.280 nan 0.000 0.537 375 D N 0.981 121.308 120.400 -0.122 0.000 2.440 375 D HA 0.124 4.764 4.640 0.000 0.000 0.269 375 D C 1.296 177.699 176.300 0.171 0.000 1.249 375 D CA -0.311 53.691 54.000 0.003 0.000 1.055 375 D CB 0.332 41.128 40.800 -0.006 0.000 1.104 375 D HN 0.471 nan 8.370 nan 0.000 0.561 376 A N -0.353 122.563 122.820 0.161 0.000 1.972 376 A HA -0.123 4.197 4.320 0.000 0.000 0.219 376 A C 2.137 179.796 177.584 0.125 0.000 1.169 376 A CA 1.723 53.850 52.037 0.150 0.000 0.635 376 A CB -0.873 18.172 19.000 0.074 0.000 0.810 376 A HN 0.479 nan 8.150 nan 0.000 0.446 377 S N -1.787 113.969 115.700 0.092 0.000 2.522 377 S HA 0.302 4.772 4.470 0.000 0.000 0.227 377 S C 1.525 176.174 174.600 0.081 0.000 0.986 377 S CA 1.000 59.241 58.200 0.068 0.000 0.929 377 S CB -0.014 63.212 63.200 0.044 0.000 0.769 377 S HN 1.610 nan 8.310 nan 0.000 0.529 378 G N 1.612 110.484 108.800 0.120 0.000 2.176 378 G HA2 -0.279 3.681 3.960 0.000 0.000 0.232 378 G HA3 -0.279 3.681 3.960 0.000 0.000 0.232 378 G C 0.093 175.088 174.900 0.158 0.000 0.986 378 G CA 0.171 45.344 45.100 0.122 0.000 0.643 378 G HN 0.525 nan 8.290 nan 0.000 0.522 379 K N 1.196 121.634 120.400 0.064 0.000 2.401 379 K HA 0.432 4.752 4.320 0.000 0.000 0.278 379 K C 0.932 177.441 176.600 -0.152 0.000 1.018 379 K CA -0.574 55.708 56.287 -0.009 0.000 0.981 379 K CB 0.266 32.753 32.500 -0.023 0.000 0.933 379 K HN 0.309 nan 8.250 nan 0.000 0.477 380 R N 1.923 122.262 120.500 -0.269 0.000 2.585 380 R HA 0.049 4.389 4.340 0.000 0.000 0.275 380 R C -0.461 175.576 176.300 -0.439 0.000 1.018 380 R CA 0.055 55.824 56.100 -0.551 0.000 1.072 380 R CB 0.687 30.690 30.300 -0.495 0.000 0.953 380 R HN 0.460 nan 8.270 nan 0.000 0.419 381 V N 4.026 123.638 119.914 -0.503 0.000 2.686 381 V HA 0.412 4.532 4.120 0.000 0.000 0.306 381 V C -1.469 174.441 176.094 -0.307 0.000 1.065 381 V CA -0.841 61.266 62.300 -0.323 0.000 0.894 381 V CB 1.495 33.221 31.823 -0.161 0.000 1.004 381 V HN 0.615 nan 8.190 nan 0.000 0.424 382 Y N 6.551 126.846 120.300 -0.008 0.000 2.320 382 Y HA 0.769 5.319 4.550 0.000 0.000 0.324 382 Y C 0.049 176.017 175.900 0.114 0.000 1.190 382 Y CA 0.119 58.223 58.100 0.007 0.000 1.215 382 Y CB 1.457 39.876 38.460 -0.068 0.000 1.221 382 Y HN 0.882 nan 8.280 nan 0.000 0.486 383 Y N -0.320 120.044 120.300 0.106 0.000 2.624 383 Y HA 0.669 5.219 4.550 0.000 0.000 0.334 383 Y C -2.360 173.606 175.900 0.110 0.000 1.155 383 Y CA -1.907 56.242 58.100 0.082 0.000 1.046 383 Y CB 0.541 39.024 38.460 0.039 0.000 1.316 383 Y HN 0.325 nan 8.280 nan 0.000 0.457 384 L N 2.531 123.824 121.223 0.116 0.000 2.292 384 L HA 0.735 5.075 4.340 0.000 0.000 0.284 384 L C 0.333 177.397 176.870 0.324 0.000 1.065 384 L CA 0.144 55.050 54.840 0.108 0.000 0.806 384 L CB 1.038 43.189 42.059 0.153 0.000 1.175 384 L HN 1.045 nan 8.230 nan 0.000 0.431 385 T N 3.768 118.461 114.554 0.233 0.000 2.696 385 T HA 0.917 5.267 4.350 0.000 0.000 0.291 385 T C -1.019 173.803 174.700 0.203 0.000 1.095 385 T CA -0.582 61.720 62.100 0.338 0.000 1.026 385 T CB 1.667 70.721 68.868 0.311 0.000 1.390 385 T HN 0.784 nan 8.240 nan 0.000 0.513 386 R N 0.424 120.993 120.500 0.114 0.000 2.728 386 R HA 0.446 4.786 4.340 0.000 0.000 0.274 386 R C -1.528 174.636 176.300 -0.227 0.000 1.030 386 R CA -0.998 55.061 56.100 -0.068 0.000 0.876 386 R CB 0.363 30.570 30.300 -0.154 0.000 1.259 386 R HN 0.551 nan 8.270 nan 0.000 0.468 387 D N 1.581 121.841 120.400 -0.235 0.000 2.450 387 D HA 0.054 4.694 4.640 0.000 0.000 0.247 387 D C -1.409 174.547 176.300 -0.573 0.000 1.162 387 D CA -1.258 52.553 54.000 -0.314 0.000 0.879 387 D CB 1.287 41.980 40.800 -0.179 0.000 1.163 387 D HN 0.345 nan 8.370 nan 0.000 0.472 388 P HA 0.029 nan 4.420 nan 0.000 0.255 388 P C 1.137 178.111 177.300 -0.543 0.000 1.248 388 P CA 0.128 62.568 63.100 -1.100 0.000 0.807 388 P CB 0.288 31.203 31.700 -1.307 0.000 1.150 389 T N -0.410 113.947 114.554 -0.327 0.000 2.635 389 T HA -0.147 4.204 4.350 0.000 0.000 0.267 389 T C 1.737 176.364 174.700 -0.122 0.000 1.040 389 T CA 2.348 64.350 62.100 -0.164 0.000 1.156 389 T CB -1.152 67.665 68.868 -0.085 0.000 0.863 389 T HN 0.193 nan 8.240 nan 0.000 0.430 390 T N 2.035 116.514 114.554 -0.126 0.000 2.770 390 T HA -0.023 4.327 4.350 0.000 0.000 0.263 390 T C -0.539 174.101 174.700 -0.101 0.000 1.039 390 T CA 0.995 63.042 62.100 -0.088 0.000 1.142 390 T CB -1.188 67.650 68.868 -0.050 0.000 0.868 390 T HN 0.310 nan 8.240 nan 0.000 0.435 391 P HA -0.063 nan 4.420 nan 0.000 0.216 391 P C 1.409 178.724 177.300 0.024 0.000 1.154 391 P CA 1.097 64.172 63.100 -0.042 0.000 0.865 391 P CB -0.169 31.445 31.700 -0.144 0.000 0.789 392 L N -1.850 119.343 121.223 -0.049 0.000 2.131 392 L HA -0.036 4.304 4.340 0.000 0.000 0.206 392 L C 2.494 179.390 176.870 0.043 0.000 1.087 392 L CA 1.082 55.924 54.840 0.003 0.000 0.767 392 L CB -1.145 40.877 42.059 -0.062 0.000 0.917 392 L HN -0.075 nan 8.230 nan 0.000 0.441 393 A N 0.738 123.572 122.820 0.024 0.000 1.892 393 A HA -0.249 4.071 4.320 0.000 0.000 0.218 393 A C 2.402 180.047 177.584 0.102 0.000 1.188 393 A CA 1.847 53.920 52.037 0.059 0.000 0.631 393 A CB -0.502 18.506 19.000 0.013 0.000 0.822 393 A HN 0.351 nan 8.150 nan 0.000 0.447 394 R N -0.783 119.753 120.500 0.059 0.000 2.090 394 R HA 0.033 4.373 4.340 0.000 0.000 0.228 394 R C 2.496 178.950 176.300 0.257 0.000 1.110 394 R CA 1.005 57.165 56.100 0.100 0.000 0.973 394 R CB -0.468 29.831 30.300 -0.001 0.000 0.869 394 R HN 0.508 nan 8.270 nan 0.000 0.440 395 A N 1.618 124.607 122.820 0.281 0.000 1.940 395 A HA -0.152 4.168 4.320 0.000 0.000 0.219 395 A C 2.400 180.198 177.584 0.356 0.000 1.176 395 A CA 1.773 54.085 52.037 0.458 0.000 0.631 395 A CB -0.622 18.646 19.000 0.447 0.000 0.814 395 A HN 0.392 nan 8.150 nan 0.000 0.446 396 A N -1.374 121.569 122.820 0.205 0.000 1.877 396 A HA -0.192 4.128 4.320 0.000 0.000 0.216 396 A C 2.106 179.793 177.584 0.172 0.000 1.186 396 A CA 1.419 53.538 52.037 0.135 0.000 0.620 396 A CB -0.877 18.194 19.000 0.118 0.000 0.822 396 A HN 0.829 nan 8.150 nan 0.000 0.443 397 W N 0.989 122.330 121.300 0.067 0.000 2.355 397 W HA -0.151 4.509 4.660 0.000 0.000 0.309 397 W C 1.638 178.206 176.519 0.082 0.000 1.206 397 W CA 1.974 59.350 57.345 0.050 0.000 1.284 397 W CB -0.313 29.162 29.460 0.026 0.000 1.145 397 W HN 0.553 nan 8.180 nan 0.000 0.502 398 E N -0.884 119.580 120.200 0.441 0.000 2.427 398 E HA -0.110 4.241 4.350 0.000 0.000 0.196 398 E C 1.942 178.729 176.600 0.312 0.000 1.028 398 E CA 1.291 57.932 56.400 0.402 0.000 0.864 398 E CB -0.120 29.883 29.700 0.505 0.000 0.813 398 E HN 0.065 nan 8.360 nan 0.000 0.514 399 T N 0.382 115.094 114.554 0.263 0.000 2.821 399 T HA -0.111 4.239 4.350 0.000 0.000 0.267 399 T C 1.792 176.477 174.700 -0.025 0.000 1.046 399 T CA 1.348 63.527 62.100 0.131 0.000 1.139 399 T CB 0.021 68.972 68.868 0.137 0.000 0.871 399 T HN 0.239 nan 8.240 nan 0.000 0.454 400 A N 0.024 122.789 122.820 -0.092 0.000 2.288 400 A HA 0.345 4.666 4.320 0.000 0.000 0.216 400 A C 0.895 178.340 177.584 -0.233 0.000 1.199 400 A CA -0.085 51.841 52.037 -0.184 0.000 0.891 400 A CB 0.483 19.340 19.000 -0.240 0.000 0.923 400 A HN 0.087 nan 8.150 nan 0.000 0.500 401 R N 0.190 120.572 120.500 -0.197 0.000 2.574 401 R HA 0.349 4.689 4.340 0.000 0.000 0.288 401 R C -1.712 174.553 176.300 -0.059 0.000 1.004 401 R CA -0.508 55.516 56.100 -0.127 0.000 0.895 401 R CB 0.904 31.186 30.300 -0.029 0.000 1.191 401 R HN 0.487 nan 8.270 nan 0.000 0.444 402 H N 0.795 119.942 119.070 0.129 0.000 2.819 402 H HA 0.171 4.727 4.556 0.000 0.000 0.303 402 H C 0.574 175.983 175.328 0.135 0.000 1.058 402 H CA 0.468 56.598 56.048 0.136 0.000 1.471 402 H CB 0.873 30.688 29.762 0.088 0.000 1.480 402 H HN 0.514 nan 8.280 nan 0.000 0.517 403 T N 0.611 115.314 114.554 0.249 0.000 2.940 403 T HA 0.226 4.576 4.350 0.000 0.000 0.288 403 T C -1.556 173.190 174.700 0.077 0.000 1.033 403 T CA -2.103 60.090 62.100 0.155 0.000 1.033 403 T CB 1.846 70.801 68.868 0.145 0.000 1.079 403 T HN 0.337 nan 8.240 nan 0.000 0.496 404 P HA 0.102 nan 4.420 nan 0.000 0.221 404 P C 0.051 177.339 177.300 -0.020 0.000 1.150 404 P CA 0.309 63.395 63.100 -0.024 0.000 0.800 404 P CB 0.137 31.815 31.700 -0.037 0.000 0.787 405 V N 2.003 121.904 119.914 -0.023 0.000 2.444 405 V HA 0.216 4.336 4.120 0.000 0.000 0.294 405 V C -0.159 175.893 176.094 -0.070 0.000 1.022 405 V CA -0.785 61.484 62.300 -0.052 0.000 0.850 405 V CB 1.563 33.353 31.823 -0.056 0.000 0.992 405 V HN 0.015 nan 8.190 nan 0.000 0.426 406 N N 3.409 122.016 118.700 -0.156 0.000 2.555 406 N HA 0.054 4.794 4.740 0.000 0.000 0.244 406 N C 1.352 176.614 175.510 -0.413 0.000 1.114 406 N CA 0.210 53.075 53.050 -0.308 0.000 0.963 406 N CB 1.597 39.737 38.487 -0.577 0.000 1.276 406 N HN 0.814 nan 8.380 nan 0.000 0.510 407 S N 2.320 117.911 115.700 -0.181 0.000 2.399 407 S HA -0.121 4.349 4.470 0.000 0.000 0.231 407 S C 1.872 176.420 174.600 -0.087 0.000 1.022 407 S CA 0.221 58.360 58.200 -0.101 0.000 0.983 407 S CB -0.432 62.761 63.200 -0.013 0.000 0.803 407 S HN 0.791 nan 8.310 nan 0.000 0.480 408 W N 1.260 122.491 121.300 -0.116 0.000 2.342 408 W HA -0.080 4.580 4.660 0.000 0.000 0.297 408 W C 1.698 178.143 176.519 -0.123 0.000 1.213 408 W CA 0.581 57.822 57.345 -0.173 0.000 1.251 408 W CB -1.058 27.974 29.460 -0.713 0.000 1.136 408 W HN 0.368 nan 8.180 nan 0.000 0.526 409 L N 2.732 123.373 121.223 -0.969 0.000 2.072 409 L HA 0.194 4.534 4.340 0.000 0.000 0.205 409 L C 2.685 179.378 176.870 -0.294 0.000 1.079 409 L CA 2.682 57.011 54.840 -0.851 0.000 0.752 409 L CB -1.362 39.922 42.059 -1.292 0.000 0.906 409 L HN 0.040 nan 8.230 nan 0.000 0.436 410 G N -0.786 107.871 108.800 -0.238 0.000 2.432 410 G HA2 -0.270 3.690 3.960 0.000 0.000 0.219 410 G HA3 -0.270 3.690 3.960 0.000 0.000 0.219 410 G C 1.448 176.368 174.900 0.033 0.000 1.135 410 G CA 0.679 45.724 45.100 -0.093 0.000 0.767 410 G HN 0.414 nan 8.290 nan 0.000 0.550 411 N N 0.509 119.282 118.700 0.122 0.000 2.216 411 N HA 0.022 4.762 4.740 0.000 0.000 0.183 411 N C 2.245 177.905 175.510 0.251 0.000 1.017 411 N CA 0.494 53.742 53.050 0.330 0.000 0.861 411 N CB -0.128 38.630 38.487 0.450 0.000 0.986 411 N HN 0.321 nan 8.380 nan 0.000 0.428 412 I N 0.958 121.637 120.570 0.182 0.000 2.179 412 I HA -0.227 3.943 4.170 0.000 0.000 0.242 412 I C 2.031 178.200 176.117 0.088 0.000 1.088 412 I CA 0.879 62.267 61.300 0.145 0.000 1.357 412 I CB -0.166 37.986 38.000 0.254 0.000 1.051 412 I HN 0.038 nan 8.210 nan 0.000 0.409 413 I N 0.058 120.682 120.570 0.091 0.000 2.142 413 I HA -0.316 3.854 4.170 0.000 0.000 0.240 413 I C 2.431 178.651 176.117 0.172 0.000 1.078 413 I CA 1.440 62.813 61.300 0.122 0.000 1.343 413 I CB -0.217 37.848 38.000 0.110 0.000 1.046 413 I HN 0.229 nan 8.210 nan 0.000 0.405 414 M N -1.085 118.551 119.600 0.061 0.000 2.447 414 M HA -0.050 4.430 4.480 0.000 0.000 0.264 414 M C 0.783 176.972 176.300 -0.184 0.000 1.095 414 M CA 1.377 56.644 55.300 -0.056 0.000 1.125 414 M CB -0.416 32.038 32.600 -0.244 0.000 1.389 414 M HN 0.204 nan 8.290 nan 0.000 0.459 415 Y N -0.572 119.746 120.300 0.029 0.000 2.720 415 Y HA 0.474 5.024 4.550 0.000 0.000 0.268 415 Y C 1.815 177.485 175.900 -0.383 0.000 1.142 415 Y CA -0.385 57.629 58.100 -0.144 0.000 1.193 415 Y CB -0.819 37.500 38.460 -0.235 0.000 1.176 415 Y HN 0.147 nan 8.280 nan 0.000 0.542 416 A N 1.337 123.962 122.820 -0.325 0.000 1.903 416 A HA -0.201 4.119 4.320 0.000 0.000 0.219 416 A C -0.353 176.946 177.584 -0.474 0.000 1.191 416 A CA 1.895 53.672 52.037 -0.433 0.000 0.638 416 A CB -1.511 17.152 19.000 -0.560 0.000 0.823 416 A HN 0.266 nan 8.150 nan 0.000 0.451 417 P HA 0.042 nan 4.420 nan 0.000 0.242 417 P C 0.459 177.492 177.300 -0.446 0.000 1.197 417 P CA 1.114 63.950 63.100 -0.440 0.000 0.765 417 P CB -0.731 30.742 31.700 -0.378 0.000 0.936 418 T N -2.840 111.457 114.554 -0.429 0.000 2.910 418 T HA 0.186 4.536 4.350 0.000 0.000 0.293 418 T C 1.147 175.441 174.700 -0.677 0.000 1.015 418 T CA -0.708 61.087 62.100 -0.507 0.000 1.094 418 T CB 0.866 69.231 68.868 -0.839 0.000 0.968 418 T HN -0.184 nan 8.240 nan 0.000 0.521 419 L N 2.188 122.920 121.223 -0.818 0.000 2.013 419 L HA -0.037 4.303 4.340 0.000 0.000 0.212 419 L C 2.406 178.955 176.870 -0.535 0.000 1.073 419 L CA 1.926 56.246 54.840 -0.866 0.000 0.753 419 L CB -0.747 40.751 42.059 -0.935 0.000 0.890 419 L HN 0.931 nan 8.230 nan 0.000 0.432 420 W N -1.228 119.871 121.300 -0.336 0.000 2.453 420 W HA 0.127 4.787 4.660 0.000 0.000 0.289 420 W C 2.017 178.406 176.519 -0.217 0.000 1.215 420 W CA 0.654 57.836 57.345 -0.271 0.000 1.297 420 W CB -1.278 28.055 29.460 -0.211 0.000 1.113 420 W HN 0.297 nan 8.180 nan 0.000 0.551 421 A N 1.933 124.304 122.820 -0.749 0.000 1.930 421 A HA -0.118 4.202 4.320 0.000 0.000 0.217 421 A C 2.250 179.694 177.584 -0.233 0.000 1.175 421 A CA 1.625 53.402 52.037 -0.434 0.000 0.627 421 A CB -0.703 17.933 19.000 -0.607 0.000 0.815 421 A HN 0.304 nan 8.150 nan 0.000 0.443 422 R N -1.120 119.151 120.500 -0.381 0.000 2.062 422 R HA 0.100 4.440 4.340 0.000 0.000 0.226 422 R C 2.229 178.336 176.300 -0.322 0.000 1.125 422 R CA 1.555 57.438 56.100 -0.362 0.000 0.966 422 R CB -0.311 29.619 30.300 -0.618 0.000 0.861 422 R HN 0.485 nan 8.270 nan 0.000 0.433 423 M N -0.215 119.072 119.600 -0.521 0.000 2.288 423 M HA -0.001 4.480 4.480 0.000 0.000 0.266 423 M C 1.887 178.134 176.300 -0.088 0.000 1.072 423 M CA 1.474 56.537 55.300 -0.396 0.000 1.132 423 M CB 0.163 32.476 32.600 -0.478 0.000 1.386 423 M HN 0.128 nan 8.290 nan 0.000 0.432 424 I N -0.908 119.470 120.570 -0.321 0.000 3.132 424 I HA -0.086 4.084 4.170 0.000 0.000 0.255 424 I C 2.047 177.998 176.117 -0.276 0.000 1.118 424 I CA 0.334 61.186 61.300 -0.747 0.000 1.463 424 I CB -0.208 37.291 38.000 -0.836 0.000 1.356 424 I HN 0.124 nan 8.210 nan 0.000 0.463 425 L N 0.368 121.607 121.223 0.026 0.000 2.027 425 L HA -0.161 4.179 4.340 0.000 0.000 0.206 425 L C 2.678 179.833 176.870 0.475 0.000 1.074 425 L CA 1.550 56.590 54.840 0.333 0.000 0.745 425 L CB -0.403 41.907 42.059 0.418 0.000 0.898 425 L HN 0.273 nan 8.230 nan 0.000 0.433 426 M N -0.861 118.990 119.600 0.418 0.000 2.086 426 M HA -0.179 4.301 4.480 0.000 0.000 0.261 426 M C 2.325 179.101 176.300 0.793 0.000 1.067 426 M CA 2.003 57.672 55.300 0.614 0.000 1.116 426 M CB -0.675 32.122 32.600 0.327 0.000 1.348 426 M HN 0.235 nan 8.290 nan 0.000 0.407 427 T N -1.258 113.717 114.554 0.702 0.000 2.708 427 T HA -0.225 4.125 4.350 0.000 0.000 0.266 427 T C 1.656 176.632 174.700 0.460 0.000 1.037 427 T CA 1.936 64.434 62.100 0.663 0.000 1.146 427 T CB -0.533 68.764 68.868 0.714 0.000 0.865 427 T HN 0.476 nan 8.240 nan 0.000 0.435 428 H N 0.295 119.510 119.070 0.240 0.000 2.293 428 H HA -0.003 4.553 4.556 0.000 0.000 0.300 428 H C 1.816 177.006 175.328 -0.230 0.000 1.082 428 H CA 1.624 57.677 56.048 0.008 0.000 1.308 428 H CB -0.452 29.173 29.762 -0.228 0.000 1.375 428 H HN 0.329 nan 8.280 nan 0.000 0.495 429 F N -0.930 118.971 119.950 -0.081 0.000 2.206 429 F HA -0.030 4.498 4.527 0.000 0.000 0.298 429 F C 2.041 177.668 175.800 -0.287 0.000 1.090 429 F CA 0.698 58.422 58.000 -0.459 0.000 1.323 429 F CB -0.616 37.726 39.000 -1.096 0.000 1.028 429 F HN 0.151 nan 8.300 nan 0.000 0.492 430 F N -0.465 119.576 119.950 0.151 0.000 2.171 430 F HA -0.209 4.318 4.527 0.000 0.000 0.300 430 F C 2.772 178.595 175.800 0.038 0.000 1.090 430 F CA 1.577 59.676 58.000 0.165 0.000 1.293 430 F CB -0.950 38.241 39.000 0.318 0.000 1.013 430 F HN -0.090 nan 8.300 nan 0.000 0.486 431 S N 0.463 116.242 115.700 0.133 0.000 2.370 431 S HA -0.200 4.270 4.470 0.000 0.000 0.226 431 S C 2.104 176.663 174.600 -0.068 0.000 1.033 431 S CA 1.564 59.767 58.200 0.005 0.000 1.011 431 S CB -0.494 62.691 63.200 -0.025 0.000 0.852 431 S HN 0.344 nan 8.310 nan 0.000 0.457 432 I N 1.066 121.534 120.570 -0.170 0.000 2.252 432 I HA -0.153 4.017 4.170 0.000 0.000 0.245 432 I C 2.213 178.298 176.117 -0.054 0.000 1.102 432 I CA 1.018 62.222 61.300 -0.160 0.000 1.385 432 I CB -0.344 37.500 38.000 -0.260 0.000 1.064 432 I HN 0.313 nan 8.210 nan 0.000 0.414 433 L N 0.096 121.297 121.223 -0.037 0.000 2.056 433 L HA -0.203 4.137 4.340 0.000 0.000 0.207 433 L C 2.572 179.467 176.870 0.042 0.000 1.078 433 L CA 1.195 56.039 54.840 0.006 0.000 0.749 433 L CB -0.551 41.481 42.059 -0.045 0.000 0.901 433 L HN 0.251 nan 8.230 nan 0.000 0.433 434 L N 0.022 121.283 121.223 0.063 0.000 1.971 434 L HA -0.274 4.066 4.340 0.000 0.000 0.215 434 L C 2.909 179.798 176.870 0.032 0.000 1.072 434 L CA 1.597 56.475 54.840 0.063 0.000 0.758 434 L CB -0.706 41.390 42.059 0.062 0.000 0.889 434 L HN 0.264 nan 8.230 nan 0.000 0.433 435 A N -1.122 121.704 122.820 0.011 0.000 1.940 435 A HA -0.219 4.101 4.320 0.000 0.000 0.219 435 A C 2.038 179.629 177.584 0.011 0.000 1.176 435 A CA 1.546 53.584 52.037 0.001 0.000 0.631 435 A CB -0.304 18.684 19.000 -0.019 0.000 0.814 435 A HN 0.498 nan 8.150 nan 0.000 0.446 436 Q N -0.750 119.062 119.800 0.020 0.000 2.319 436 Q HA 0.102 4.442 4.340 0.000 0.000 0.202 436 Q C -0.570 175.452 176.000 0.035 0.000 0.896 436 Q CA 0.314 56.135 55.803 0.031 0.000 0.942 436 Q CB 0.071 28.836 28.738 0.046 0.000 1.083 436 Q HN 0.782 nan 8.270 nan 0.000 0.510 437 E N 0.711 120.933 120.200 0.037 0.000 2.297 437 E HA -0.247 4.103 4.350 0.000 0.000 0.228 437 E C -0.327 176.302 176.600 0.049 0.000 1.213 437 E CA 0.304 56.729 56.400 0.043 0.000 0.712 437 E CB -1.225 28.495 29.700 0.034 0.000 1.202 437 E HN 0.447 nan 8.360 nan 0.000 0.376 438 Q N -0.391 119.443 119.800 0.056 0.000 2.141 438 Q HA 0.224 4.564 4.340 0.000 0.000 0.248 438 Q C 1.547 177.590 176.000 0.071 0.000 0.834 438 Q CA -0.243 55.597 55.803 0.061 0.000 1.096 438 Q CB 0.512 29.290 28.738 0.068 0.000 1.189 438 Q HN 0.363 nan 8.270 nan 0.000 0.471 439 L N 0.222 121.493 121.223 0.080 0.000 2.131 439 L HA -0.191 4.149 4.340 0.000 0.000 0.210 439 L C 1.170 178.101 176.870 0.101 0.000 1.092 439 L CA 1.320 56.221 54.840 0.101 0.000 0.759 439 L CB -0.011 42.142 42.059 0.156 0.000 0.903 439 L HN 0.268 nan 8.230 nan 0.000 0.435 440 E N -0.537 119.714 120.200 0.085 0.000 2.479 440 E HA 0.015 4.365 4.350 0.000 0.000 0.193 440 E C 0.475 177.116 176.600 0.067 0.000 1.049 440 E CA 0.024 56.470 56.400 0.076 0.000 0.870 440 E CB -0.029 29.709 29.700 0.063 0.000 0.944 440 E HN 0.167 nan 8.360 nan 0.000 0.492 441 K N 1.902 122.343 120.400 0.068 0.000 2.285 441 K HA 0.437 4.757 4.320 0.000 0.000 0.286 441 K C -0.412 176.229 176.600 0.068 0.000 1.072 441 K CA -0.460 55.864 56.287 0.062 0.000 0.913 441 K CB 0.587 33.120 32.500 0.055 0.000 1.067 441 K HN 0.104 nan 8.250 nan 0.000 0.479 442 A N 5.526 128.385 122.820 0.065 0.000 2.520 442 A HA 0.240 4.560 4.320 0.000 0.000 0.245 442 A C -0.433 177.189 177.584 0.063 0.000 1.072 442 A CA -0.022 52.056 52.037 0.068 0.000 0.761 442 A CB -0.032 19.015 19.000 0.078 0.000 1.004 442 A HN 0.771 nan 8.150 nan 0.000 0.499 443 L N 2.106 123.355 121.223 0.043 0.000 2.341 443 L HA 0.434 4.774 4.340 0.000 0.000 0.267 443 L C -0.803 176.065 176.870 -0.003 0.000 1.009 443 L CA -1.094 53.756 54.840 0.016 0.000 0.819 443 L CB 1.996 44.039 42.059 -0.026 0.000 1.323 443 L HN 0.555 nan 8.230 nan 0.000 0.425 444 D N 1.011 121.411 120.400 0.001 0.000 2.210 444 D HA 0.487 5.127 4.640 0.000 0.000 0.249 444 D C -0.497 175.757 176.300 -0.076 0.000 1.078 444 D CA -0.106 53.898 54.000 0.008 0.000 0.875 444 D CB 1.677 42.514 40.800 0.061 0.000 1.175 444 D HN 0.594 nan 8.370 nan 0.000 0.440 445 C N 0.341 119.595 119.300 -0.077 0.000 3.154 445 C HA 0.668 5.128 4.460 0.000 0.000 0.312 445 C C -0.997 173.962 174.990 -0.052 0.000 1.349 445 C CA -0.894 58.055 59.018 -0.116 0.000 1.518 445 C CB 1.632 29.255 27.740 -0.196 0.000 1.934 445 C HN 0.466 nan 8.230 nan 0.000 0.462 446 Q N 1.201 120.967 119.800 -0.057 0.000 2.341 446 Q HA 0.589 4.929 4.340 0.000 0.000 0.268 446 Q C -1.151 174.833 176.000 -0.026 0.000 1.013 446 Q CA -0.400 55.391 55.803 -0.019 0.000 0.798 446 Q CB 1.937 30.666 28.738 -0.016 0.000 1.253 446 Q HN 0.640 nan 8.270 nan 0.000 0.457 447 I N 3.282 123.839 120.570 -0.021 0.000 2.382 447 I HA 0.161 4.331 4.170 0.000 0.000 0.286 447 I C -0.489 175.640 176.117 0.019 0.000 1.002 447 I CA -0.695 60.511 61.300 -0.156 0.000 1.135 447 I CB 0.554 38.212 38.000 -0.569 0.000 1.288 447 I HN 0.674 nan 8.210 nan 0.000 0.448 448 Y N 5.093 125.429 120.300 0.059 0.000 3.491 448 Y HA -0.229 4.321 4.550 0.000 0.000 0.215 448 Y C 1.590 177.432 175.900 -0.097 0.000 1.219 448 Y CA 1.028 59.135 58.100 0.012 0.000 1.485 448 Y CB -2.050 36.422 38.460 0.021 0.000 1.450 448 Y HN 0.942 nan 8.280 nan 0.000 0.603 449 G N -2.184 106.687 108.800 0.119 0.000 2.234 449 G HA2 -0.016 3.944 3.960 0.000 0.000 0.260 449 G HA3 -0.016 3.944 3.960 0.000 0.000 0.260 449 G C 0.469 175.389 174.900 0.035 0.000 0.987 449 G CA 0.270 45.405 45.100 0.058 0.000 0.625 449 G HN 1.560 nan 8.290 nan 0.000 0.532 450 A N -0.771 122.068 122.820 0.031 0.000 2.293 450 A HA 0.678 4.998 4.320 0.000 0.000 0.302 450 A C 0.557 177.962 177.584 -0.297 0.000 1.119 450 A CA 0.365 52.292 52.037 -0.184 0.000 0.823 450 A CB 1.189 20.019 19.000 -0.282 0.000 1.097 450 A HN 1.527 nan 8.150 nan 0.000 0.491 451 C N 1.854 120.899 119.300 -0.424 0.000 2.295 451 C HA 0.759 5.219 4.460 0.000 0.000 0.331 451 C C -1.153 173.495 174.990 -0.570 0.000 1.280 451 C CA -0.528 58.319 59.018 -0.285 0.000 1.746 451 C CB -1.409 26.300 27.740 -0.051 0.000 2.328 451 C HN 0.630 nan 8.230 nan 0.000 0.521 452 Y N 3.076 123.205 120.300 -0.284 0.000 2.409 452 Y HA 0.454 5.004 4.550 0.000 0.000 0.343 452 Y C 0.478 176.260 175.900 -0.197 0.000 0.973 452 Y CA -0.301 57.590 58.100 -0.349 0.000 1.064 452 Y CB 1.844 40.047 38.460 -0.428 0.000 1.207 452 Y HN 0.594 nan 8.280 nan 0.000 0.452 453 S N 4.207 119.883 115.700 -0.041 0.000 2.422 453 S HA 0.676 5.146 4.470 0.000 0.000 0.298 453 S C -0.865 173.787 174.600 0.087 0.000 1.118 453 S CA -0.325 57.915 58.200 0.066 0.000 1.083 453 S CB -0.352 62.927 63.200 0.132 0.000 0.971 453 S HN 0.550 nan 8.310 nan 0.000 0.478 454 I N 3.992 124.607 120.570 0.074 0.000 2.498 454 I HA 0.342 4.512 4.170 0.000 0.000 0.290 454 I C -0.242 175.912 176.117 0.061 0.000 1.032 454 I CA -0.617 60.733 61.300 0.083 0.000 1.073 454 I CB 2.146 40.195 38.000 0.082 0.000 1.251 454 I HN 0.550 nan 8.210 nan 0.000 0.426 455 E N 7.139 127.384 120.200 0.075 0.000 2.194 455 E HA 0.166 4.516 4.350 0.000 0.000 0.284 455 E C -1.799 174.861 176.600 0.099 0.000 1.035 455 E CA -1.568 54.880 56.400 0.080 0.000 0.836 455 E CB 1.145 30.892 29.700 0.079 0.000 1.070 455 E HN 0.312 nan 8.360 nan 0.000 0.401 456 P HA -0.199 nan 4.420 nan 0.000 0.217 456 P C 1.092 178.558 177.300 0.276 0.000 1.148 456 P CA 1.169 64.356 63.100 0.146 0.000 0.834 456 P CB 0.193 31.909 31.700 0.026 0.000 0.783 457 L N -0.976 120.381 121.223 0.224 0.000 2.265 457 L HA -0.131 4.209 4.340 0.000 0.000 0.215 457 L C 1.406 178.372 176.870 0.160 0.000 1.117 457 L CA 1.166 56.142 54.840 0.227 0.000 0.782 457 L CB -0.689 41.465 42.059 0.158 0.000 0.914 457 L HN -0.039 nan 8.230 nan 0.000 0.441 458 D N -0.360 120.117 120.400 0.128 0.000 2.340 458 D HA 0.016 4.656 4.640 0.000 0.000 0.220 458 D C 2.207 178.553 176.300 0.076 0.000 1.039 458 D CA 0.353 54.396 54.000 0.071 0.000 0.866 458 D CB 0.325 41.151 40.800 0.043 0.000 0.913 458 D HN 0.294 nan 8.370 nan 0.000 0.523 459 L N 0.836 122.153 121.223 0.156 0.000 2.083 459 L HA -0.111 4.229 4.340 0.000 0.000 0.209 459 L C -0.501 176.462 176.870 0.155 0.000 1.083 459 L CA 1.268 56.215 54.840 0.178 0.000 0.752 459 L CB -1.289 40.955 42.059 0.307 0.000 0.899 459 L HN 0.028 nan 8.230 nan 0.000 0.433 460 P HA -0.197 nan 4.420 nan 0.000 0.215 460 P C 1.320 178.667 177.300 0.078 0.000 1.157 460 P CA 1.307 64.447 63.100 0.067 0.000 0.868 460 P CB 0.050 31.610 31.700 -0.234 0.000 0.788 461 Q N -0.900 118.878 119.800 -0.036 0.000 2.119 461 Q HA -0.072 4.268 4.340 0.000 0.000 0.201 461 Q C 2.166 178.129 176.000 -0.061 0.000 0.972 461 Q CA 1.177 56.941 55.803 -0.065 0.000 0.847 461 Q CB -0.915 27.766 28.738 -0.094 0.000 0.903 461 Q HN 0.257 nan 8.270 nan 0.000 0.433 462 I N 0.031 120.563 120.570 -0.065 0.000 2.226 462 I HA -0.258 3.912 4.170 0.000 0.000 0.245 462 I C 1.972 178.068 176.117 -0.035 0.000 1.100 462 I CA 1.132 62.349 61.300 -0.139 0.000 1.374 462 I CB -0.190 37.733 38.000 -0.127 0.000 1.057 462 I HN 0.191 nan 8.210 nan 0.000 0.413 463 I N 0.382 121.000 120.570 0.079 0.000 2.252 463 I HA -0.281 3.889 4.170 0.000 0.000 0.245 463 I C 2.623 178.758 176.117 0.029 0.000 1.102 463 I CA 1.368 62.735 61.300 0.111 0.000 1.385 463 I CB -0.355 37.699 38.000 0.089 0.000 1.064 463 I HN 0.294 nan 8.210 nan 0.000 0.414 464 E N 1.137 121.377 120.200 0.067 0.000 2.058 464 E HA -0.253 4.097 4.350 0.000 0.000 0.194 464 E C 2.405 178.996 176.600 -0.015 0.000 0.997 464 E CA 1.192 57.619 56.400 0.046 0.000 0.801 464 E CB 0.089 29.858 29.700 0.115 0.000 0.746 464 E HN 0.261 nan 8.360 nan 0.000 0.450 465 R N 0.201 120.674 120.500 -0.046 0.000 2.081 465 R HA -0.109 4.231 4.340 0.000 0.000 0.235 465 R C 2.475 178.711 176.300 -0.108 0.000 1.131 465 R CA 1.030 57.079 56.100 -0.085 0.000 0.960 465 R CB -0.547 29.669 30.300 -0.140 0.000 0.856 465 R HN 0.383 nan 8.270 nan 0.000 0.436 466 L N -0.870 120.275 121.223 -0.130 0.000 2.270 466 L HA -0.028 4.312 4.340 0.000 0.000 0.210 466 L C 1.658 178.235 176.870 -0.488 0.000 1.104 466 L CA 0.986 55.641 54.840 -0.308 0.000 0.804 466 L CB -0.303 41.542 42.059 -0.356 0.000 0.937 466 L HN 0.262 nan 8.230 nan 0.000 0.450 467 H N -0.845 118.147 119.070 -0.130 0.000 3.440 467 H HA 0.276 4.833 4.556 0.000 0.000 0.259 467 H C 0.952 176.197 175.328 -0.137 0.000 1.120 467 H CA 0.672 56.634 56.048 -0.143 0.000 1.191 467 H CB 1.215 30.860 29.762 -0.194 0.000 1.537 467 H HN 0.262 nan 8.280 nan 0.000 0.547 468 G N 1.317 110.105 108.800 -0.021 0.000 2.814 468 G HA2 -0.255 3.705 3.960 0.000 0.000 0.677 468 G HA3 -0.255 3.705 3.960 0.000 0.000 0.677 468 G C 0.740 175.598 174.900 -0.068 0.000 1.429 468 G CA -0.084 45.000 45.100 -0.025 0.000 0.868 468 G HN 0.236 nan 8.290 nan 0.000 0.553 469 L N 1.112 122.350 121.223 0.024 0.000 2.265 469 L HA -0.126 4.214 4.340 0.000 0.000 0.215 469 L C 3.214 180.112 176.870 0.047 0.000 1.117 469 L CA 2.186 57.106 54.840 0.134 0.000 0.782 469 L CB -0.499 41.692 42.059 0.219 0.000 0.914 469 L HN 0.927 nan 8.230 nan 0.000 0.441 470 S N 0.002 115.689 115.700 -0.021 0.000 2.400 470 S HA -0.217 4.254 4.470 0.000 0.000 0.232 470 S C 2.186 176.710 174.600 -0.126 0.000 1.025 470 S CA 0.848 59.024 58.200 -0.041 0.000 0.993 470 S CB -0.462 62.708 63.200 -0.051 0.000 0.808 470 S HN 0.383 nan 8.310 nan 0.000 0.478 471 A N 1.093 123.749 122.820 -0.273 0.000 1.997 471 A HA -0.011 4.309 4.320 0.000 0.000 0.221 471 A C 1.656 179.029 177.584 -0.352 0.000 1.172 471 A CA 1.559 53.337 52.037 -0.432 0.000 0.645 471 A CB -0.999 17.598 19.000 -0.673 0.000 0.813 471 A HN 0.617 nan 8.150 nan 0.000 0.454 472 F N -0.521 119.435 119.950 0.011 0.000 2.797 472 F HA 0.170 4.697 4.527 0.000 0.000 0.302 472 F C 1.788 177.627 175.800 0.066 0.000 1.130 472 F CA 0.673 58.707 58.000 0.058 0.000 1.387 472 F CB 0.086 39.159 39.000 0.121 0.000 1.107 472 F HN 0.100 nan 8.300 nan 0.000 0.577 473 S N -0.884 114.915 115.700 0.166 0.000 2.687 473 S HA 0.290 4.760 4.470 0.000 0.000 0.247 473 S C 0.535 175.213 174.600 0.130 0.000 1.050 473 S CA -0.306 57.983 58.200 0.148 0.000 1.063 473 S CB 0.427 63.701 63.200 0.124 0.000 1.039 473 S HN 0.004 nan 8.310 nan 0.000 0.580 474 L N 3.396 124.620 121.223 0.001 0.000 2.483 474 L HA 0.266 4.606 4.340 0.000 0.000 0.276 474 L C 0.466 177.276 176.870 -0.101 0.000 1.213 474 L CA 0.500 55.237 54.840 -0.173 0.000 0.843 474 L CB 0.134 41.938 42.059 -0.424 0.000 1.107 474 L HN 0.560 nan 8.230 nan 0.000 0.487 475 H N -1.739 117.131 119.070 -0.332 0.000 2.902 475 H HA 0.284 4.840 4.556 0.000 0.000 0.297 475 H C -0.355 174.848 175.328 -0.208 0.000 1.406 475 H CA -0.722 55.204 56.048 -0.204 0.000 1.134 475 H CB 0.784 30.538 29.762 -0.014 0.000 1.833 475 H HN 0.367 nan 8.280 nan 0.000 0.527 476 S N -0.237 115.462 115.700 -0.002 0.000 3.484 476 S HA -0.239 4.231 4.470 0.000 0.000 0.384 476 S C -0.562 174.028 174.600 -0.015 0.000 0.932 476 S CA 0.585 58.779 58.200 -0.009 0.000 1.293 476 S CB -2.334 60.761 63.200 -0.176 0.000 0.919 476 S HN 0.501 nan 8.310 nan 0.000 0.540 477 Y N 1.663 121.997 120.300 0.056 0.000 2.385 477 Y HA 0.248 4.798 4.550 0.000 0.000 0.346 477 Y C 1.482 177.437 175.900 0.091 0.000 1.270 477 Y CA 0.349 58.495 58.100 0.078 0.000 1.472 477 Y CB 0.396 38.893 38.460 0.062 0.000 1.354 477 Y HN 0.535 nan 8.280 nan 0.000 0.611 478 S N 1.226 117.084 115.700 0.264 0.000 2.576 478 S HA 0.146 4.616 4.470 0.000 0.000 0.276 478 S C -2.049 172.637 174.600 0.144 0.000 1.339 478 S CA -1.166 57.131 58.200 0.162 0.000 1.039 478 S CB 1.218 64.491 63.200 0.122 0.000 0.902 478 S HN 0.425 nan 8.310 nan 0.000 0.516 479 P HA -0.024 nan 4.420 nan 0.000 0.216 479 P C 1.684 179.027 177.300 0.071 0.000 1.150 479 P CA 1.603 64.752 63.100 0.082 0.000 0.843 479 P CB -0.412 31.325 31.700 0.063 0.000 0.787 480 G N -0.224 108.616 108.800 0.067 0.000 2.408 480 G HA2 -0.252 3.708 3.960 0.000 0.000 0.217 480 G HA3 -0.252 3.708 3.960 0.000 0.000 0.217 480 G C 1.656 176.592 174.900 0.059 0.000 1.150 480 G CA 0.714 45.845 45.100 0.052 0.000 0.776 480 G HN 0.262 nan 8.290 nan 0.000 0.542 481 E N 0.674 120.928 120.200 0.090 0.000 2.072 481 E HA -0.020 4.331 4.350 0.000 0.000 0.190 481 E C 2.406 179.055 176.600 0.082 0.000 0.982 481 E CA 0.637 57.102 56.400 0.108 0.000 0.803 481 E CB -0.375 29.442 29.700 0.194 0.000 0.755 481 E HN 0.473 nan 8.360 nan 0.000 0.453 482 I N 0.765 121.386 120.570 0.085 0.000 2.163 482 I HA -0.310 3.860 4.170 0.000 0.000 0.243 482 I C 1.883 178.025 176.117 0.041 0.000 1.085 482 I CA 1.397 62.730 61.300 0.054 0.000 1.347 482 I CB -0.408 37.636 38.000 0.073 0.000 1.044 482 I HN 0.155 nan 8.210 nan 0.000 0.408 483 N N 0.448 119.175 118.700 0.044 0.000 2.120 483 N HA -0.201 4.539 4.740 0.000 0.000 0.188 483 N C 1.880 177.401 175.510 0.017 0.000 1.024 483 N CA 1.100 54.169 53.050 0.032 0.000 0.852 483 N CB -0.284 38.223 38.487 0.032 0.000 1.003 483 N HN 0.251 nan 8.380 nan 0.000 0.424 484 R N 0.434 120.942 120.500 0.012 0.000 2.075 484 R HA -0.027 4.313 4.340 0.000 0.000 0.232 484 R C 1.583 177.861 176.300 -0.037 0.000 1.126 484 R CA 0.950 57.042 56.100 -0.014 0.000 0.963 484 R CB -0.201 30.087 30.300 -0.020 0.000 0.858 484 R HN 0.011 nan 8.270 nan 0.000 0.435 485 V N 1.278 121.177 119.914 -0.025 0.000 2.261 485 V HA -0.229 3.891 4.120 0.000 0.000 0.246 485 V C 2.550 178.634 176.094 -0.017 0.000 1.047 485 V CA 1.966 64.243 62.300 -0.039 0.000 1.015 485 V CB -0.952 30.877 31.823 0.010 0.000 0.642 485 V HN 0.560 nan 8.190 nan 0.000 0.446 486 A N -0.251 122.575 122.820 0.010 0.000 1.917 486 A HA -0.279 4.041 4.320 0.000 0.000 0.219 486 A C 2.483 180.078 177.584 0.018 0.000 1.182 486 A CA 2.580 54.632 52.037 0.025 0.000 0.633 486 A CB -0.868 18.152 19.000 0.034 0.000 0.819 486 A HN 0.516 nan 8.150 nan 0.000 0.448 487 S N -1.498 114.206 115.700 0.008 0.000 2.368 487 S HA -0.218 4.252 4.470 0.000 0.000 0.225 487 S C 2.041 176.642 174.600 0.002 0.000 1.030 487 S CA 1.258 59.463 58.200 0.008 0.000 0.999 487 S CB -0.874 62.327 63.200 0.001 0.000 0.844 487 S HN 0.798 nan 8.310 nan 0.000 0.459 488 C N 1.931 121.217 119.300 -0.024 0.000 2.429 488 C HA -0.007 4.453 4.460 0.000 0.000 0.277 488 C C 2.414 177.395 174.990 -0.015 0.000 1.262 488 C CA 0.609 59.603 59.018 -0.040 0.000 1.733 488 C CB -1.622 26.054 27.740 -0.106 0.000 2.010 488 C HN 0.565 nan 8.230 nan 0.000 0.483 489 L N 0.147 121.367 121.223 -0.004 0.000 2.056 489 L HA -0.092 4.248 4.340 0.000 0.000 0.207 489 L C 2.996 179.873 176.870 0.013 0.000 1.078 489 L CA 1.591 56.443 54.840 0.020 0.000 0.749 489 L CB -0.888 41.208 42.059 0.061 0.000 0.901 489 L HN 0.331 nan 8.230 nan 0.000 0.433 490 R N 0.402 120.918 120.500 0.026 0.000 2.096 490 R HA -0.187 4.153 4.340 0.000 0.000 0.235 490 R C 2.358 178.708 176.300 0.083 0.000 1.127 490 R CA 1.377 57.502 56.100 0.041 0.000 0.968 490 R CB -0.214 30.114 30.300 0.048 0.000 0.861 490 R HN 0.291 nan 8.270 nan 0.000 0.440 491 K N 1.009 121.456 120.400 0.078 0.000 2.057 491 K HA -0.097 4.223 4.320 0.000 0.000 0.207 491 K C 1.754 178.483 176.600 0.214 0.000 1.049 491 K CA 1.188 57.552 56.287 0.129 0.000 0.931 491 K CB 0.061 32.605 32.500 0.073 0.000 0.714 491 K HN 0.136 nan 8.250 nan 0.000 0.440 492 L N -0.295 120.980 121.223 0.087 0.000 2.509 492 L HA 0.164 4.504 4.340 0.000 0.000 0.222 492 L C 0.810 177.562 176.870 -0.197 0.000 1.123 492 L CA 0.389 55.260 54.840 0.051 0.000 0.856 492 L CB 0.146 42.223 42.059 0.031 0.000 0.985 492 L HN 0.571 nan 8.230 nan 0.000 0.456 493 G N 1.197 109.753 108.800 -0.408 0.000 2.256 493 G HA2 -0.219 3.741 3.960 0.000 0.000 0.272 493 G HA3 -0.219 3.741 3.960 0.000 0.000 0.272 493 G C -0.094 174.669 174.900 -0.227 0.000 1.076 493 G CA 0.006 44.733 45.100 -0.621 0.000 0.882 493 G HN 0.094 nan 8.290 nan 0.000 0.497 494 V N 0.622 120.494 119.914 -0.070 0.000 2.567 494 V HA 0.460 4.580 4.120 0.000 0.000 0.289 494 V C -1.269 174.895 176.094 0.118 0.000 1.049 494 V CA -1.696 60.653 62.300 0.082 0.000 0.969 494 V CB 1.595 33.502 31.823 0.140 0.000 0.995 494 V HN 0.198 nan 8.190 nan 0.000 0.471 495 P HA 0.132 nan 4.420 nan 0.000 0.267 495 P C -2.470 174.924 177.300 0.156 0.000 1.200 495 P CA -0.737 62.366 63.100 0.005 0.000 0.772 495 P CB -0.176 31.337 31.700 -0.311 0.000 0.855 496 P HA 0.062 nan 4.420 nan 0.000 0.272 496 P C 0.824 178.271 177.300 0.244 0.000 1.240 496 P CA -0.032 63.154 63.100 0.144 0.000 0.791 496 P CB 0.810 32.550 31.700 0.067 0.000 0.978 497 L N 0.850 122.238 121.223 0.276 0.000 2.131 497 L HA -0.195 4.145 4.340 0.000 0.000 0.210 497 L C 2.913 179.958 176.870 0.291 0.000 1.092 497 L CA 1.652 56.698 54.840 0.344 0.000 0.759 497 L CB -0.788 41.386 42.059 0.193 0.000 0.903 497 L HN 0.484 nan 8.230 nan 0.000 0.435 498 R N -0.008 120.602 120.500 0.182 0.000 2.105 498 R HA -0.135 4.205 4.340 0.000 0.000 0.239 498 R C 1.945 178.323 176.300 0.130 0.000 1.135 498 R CA 1.693 57.883 56.100 0.151 0.000 0.967 498 R CB -1.088 29.267 30.300 0.091 0.000 0.861 498 R HN 0.158 nan 8.270 nan 0.000 0.442 499 V N 0.441 120.376 119.914 0.036 0.000 2.343 499 V HA -0.196 3.924 4.120 0.000 0.000 0.247 499 V C 2.012 178.069 176.094 -0.061 0.000 1.051 499 V CA 1.921 64.157 62.300 -0.106 0.000 1.036 499 V CB -0.734 30.896 31.823 -0.321 0.000 0.654 499 V HN 0.399 nan 8.190 nan 0.000 0.451 500 W N 0.125 121.528 121.300 0.172 0.000 2.402 500 W HA -0.090 4.570 4.660 0.000 0.000 0.286 500 W C 2.735 179.465 176.519 0.352 0.000 1.221 500 W CA 1.394 58.882 57.345 0.238 0.000 1.257 500 W CB -0.255 29.335 29.460 0.217 0.000 1.120 500 W HN 0.058 nan 8.180 nan 0.000 0.551 501 R N -0.175 120.662 120.500 0.561 0.000 2.081 501 R HA -0.233 4.107 4.340 0.000 0.000 0.235 501 R C 2.028 178.456 176.300 0.213 0.000 1.131 501 R CA 2.168 58.562 56.100 0.490 0.000 0.960 501 R CB -0.756 29.802 30.300 0.430 0.000 0.856 501 R HN 0.249 nan 8.270 nan 0.000 0.436 502 H N 0.240 119.372 119.070 0.104 0.000 2.290 502 H HA -0.085 4.471 4.556 0.000 0.000 0.298 502 H C 2.116 177.436 175.328 -0.013 0.000 1.087 502 H CA 2.498 58.553 56.048 0.013 0.000 1.291 502 H CB 0.103 29.854 29.762 -0.019 0.000 1.369 502 H HN 0.164 nan 8.280 nan 0.000 0.492 503 R N -0.209 120.366 120.500 0.124 0.000 2.096 503 R HA -0.072 4.268 4.340 0.000 0.000 0.235 503 R C 2.554 178.841 176.300 -0.022 0.000 1.127 503 R CA 0.906 57.037 56.100 0.052 0.000 0.968 503 R CB -0.261 30.095 30.300 0.094 0.000 0.861 503 R HN 0.384 nan 8.270 nan 0.000 0.440 504 A N 1.377 124.222 122.820 0.041 0.000 1.933 504 A HA -0.173 4.147 4.320 0.000 0.000 0.218 504 A C 2.061 179.408 177.584 -0.394 0.000 1.175 504 A CA 1.189 53.135 52.037 -0.152 0.000 0.628 504 A CB -0.323 18.656 19.000 -0.034 0.000 0.814 504 A HN 0.224 nan 8.150 nan 0.000 0.444 505 R N -0.623 119.687 120.500 -0.317 0.000 2.081 505 R HA -0.111 4.229 4.340 0.000 0.000 0.235 505 R C 2.654 178.777 176.300 -0.295 0.000 1.131 505 R CA 1.487 57.395 56.100 -0.319 0.000 0.960 505 R CB -0.462 29.658 30.300 -0.299 0.000 0.856 505 R HN 0.565 nan 8.270 nan 0.000 0.436 506 S N 0.360 115.894 115.700 -0.275 0.000 2.353 506 S HA -0.123 4.347 4.470 0.000 0.000 0.222 506 S C 2.059 176.524 174.600 -0.225 0.000 1.035 506 S CA 1.510 59.583 58.200 -0.213 0.000 1.025 506 S CB -0.191 62.915 63.200 -0.156 0.000 0.902 506 S HN 0.129 nan 8.310 nan 0.000 0.440 507 V N 2.465 122.204 119.914 -0.292 0.000 2.343 507 V HA -0.140 3.980 4.120 0.000 0.000 0.247 507 V C 2.725 178.549 176.094 -0.450 0.000 1.051 507 V CA 2.232 64.319 62.300 -0.355 0.000 1.036 507 V CB -0.884 30.662 31.823 -0.463 0.000 0.654 507 V HN 0.497 nan 8.190 nan 0.000 0.451 508 R N 0.313 120.462 120.500 -0.584 0.000 2.073 508 R HA -0.182 4.158 4.340 0.000 0.000 0.234 508 R C 2.337 178.509 176.300 -0.213 0.000 1.134 508 R CA 1.789 57.651 56.100 -0.396 0.000 0.952 508 R CB -0.490 29.610 30.300 -0.333 0.000 0.850 508 R HN 0.475 nan 8.270 nan 0.000 0.433 509 A N 0.942 123.644 122.820 -0.196 0.000 1.908 509 A HA -0.186 4.134 4.320 0.000 0.000 0.218 509 A C 2.209 179.733 177.584 -0.100 0.000 1.181 509 A CA 1.591 53.549 52.037 -0.132 0.000 0.627 509 A CB -0.479 18.445 19.000 -0.127 0.000 0.818 509 A HN 0.357 nan 8.150 nan 0.000 0.445 510 R N -0.615 119.820 120.500 -0.108 0.000 2.083 510 R HA -0.095 4.245 4.340 0.000 0.000 0.237 510 R C 2.087 178.363 176.300 -0.040 0.000 1.137 510 R CA 1.757 57.816 56.100 -0.067 0.000 0.951 510 R CB -0.533 29.727 30.300 -0.066 0.000 0.851 510 R HN 0.555 nan 8.270 nan 0.000 0.434 511 L N 0.171 121.363 121.223 -0.051 0.000 2.046 511 L HA -0.190 4.150 4.340 0.000 0.000 0.208 511 L C 2.298 179.164 176.870 -0.007 0.000 1.077 511 L CA 1.156 55.994 54.840 -0.004 0.000 0.747 511 L CB -0.440 41.617 42.059 -0.003 0.000 0.896 511 L HN 0.212 nan 8.230 nan 0.000 0.432 512 L N -0.940 120.262 121.223 -0.035 0.000 2.042 512 L HA -0.234 4.106 4.340 0.000 0.000 0.210 512 L C 2.754 179.612 176.870 -0.020 0.000 1.076 512 L CA 1.165 55.987 54.840 -0.029 0.000 0.749 512 L CB -0.594 41.435 42.059 -0.050 0.000 0.893 512 L HN 0.214 nan 8.230 nan 0.000 0.432 513 S N -0.496 115.189 115.700 -0.025 0.000 2.380 513 S HA -0.276 4.194 4.470 0.000 0.000 0.229 513 S C 1.852 176.450 174.600 -0.004 0.000 1.043 513 S CA 1.467 59.656 58.200 -0.017 0.000 1.038 513 S CB -0.280 62.908 63.200 -0.021 0.000 0.872 513 S HN 0.508 nan 8.310 nan 0.000 0.456 514 Q N 0.332 120.136 119.800 0.006 0.000 2.378 514 Q HA 0.196 4.536 4.340 0.000 0.000 0.205 514 Q C 1.423 177.435 176.000 0.020 0.000 0.954 514 Q CA 0.394 56.208 55.803 0.018 0.000 0.901 514 Q CB -0.240 28.518 28.738 0.034 0.000 0.981 514 Q HN 0.572 nan 8.270 nan 0.000 0.483 515 G N 0.387 109.197 108.800 0.016 0.000 2.692 515 G HA2 -0.203 3.757 3.960 0.000 0.000 0.248 515 G HA3 -0.203 3.757 3.960 0.000 0.000 0.248 515 G C 0.476 175.393 174.900 0.028 0.000 1.340 515 G CA -0.103 45.007 45.100 0.017 0.000 0.896 515 G HN 0.725 nan 8.290 nan 0.000 0.570 516 G N -1.032 107.783 108.800 0.025 0.000 2.594 516 G HA2 -0.238 3.722 3.960 0.000 0.000 0.297 516 G HA3 -0.238 3.722 3.960 0.000 0.000 0.297 516 G C 1.081 176.003 174.900 0.038 0.000 1.273 516 G CA 1.506 46.624 45.100 0.030 0.000 0.974 516 G HN 1.537 nan 8.290 nan 0.000 0.552 517 R N 0.397 120.924 120.500 0.045 0.000 2.115 517 R HA 0.197 4.537 4.340 0.000 0.000 0.230 517 R C 3.186 179.533 176.300 0.079 0.000 1.111 517 R CA 1.757 57.890 56.100 0.054 0.000 0.976 517 R CB -0.494 29.842 30.300 0.059 0.000 0.870 517 R HN 0.671 nan 8.270 nan 0.000 0.445 518 A N 1.349 124.223 122.820 0.090 0.000 1.902 518 A HA -0.132 4.189 4.320 0.000 0.000 0.217 518 A C 2.362 179.989 177.584 0.072 0.000 1.181 518 A CA 1.748 53.851 52.037 0.110 0.000 0.623 518 A CB -0.642 18.421 19.000 0.105 0.000 0.818 518 A HN 0.386 nan 8.150 nan 0.000 0.443 519 A N -1.069 121.780 122.820 0.049 0.000 1.898 519 A HA -0.036 4.284 4.320 0.000 0.000 0.216 519 A C 2.272 179.880 177.584 0.041 0.000 1.181 519 A CA 2.144 54.199 52.037 0.030 0.000 0.620 519 A CB -1.279 17.731 19.000 0.017 0.000 0.819 519 A HN 0.428 nan 8.150 nan 0.000 0.442 520 T N -0.413 114.177 114.554 0.061 0.000 2.699 520 T HA -0.247 4.103 4.350 0.000 0.000 0.268 520 T C 1.891 176.645 174.700 0.090 0.000 1.036 520 T CA 1.735 63.897 62.100 0.104 0.000 1.147 520 T CB -0.805 68.088 68.868 0.043 0.000 0.862 520 T HN 0.581 nan 8.240 nan 0.000 0.446 521 C N 1.262 120.585 119.300 0.038 0.000 2.429 521 C HA 0.053 4.513 4.460 0.000 0.000 0.277 521 C C 3.113 178.101 174.990 -0.003 0.000 1.262 521 C CA 0.371 59.370 59.018 -0.031 0.000 1.733 521 C CB -1.598 26.116 27.740 -0.044 0.000 2.010 521 C HN 0.744 nan 8.230 nan 0.000 0.483 522 G N 0.143 108.977 108.800 0.056 0.000 2.433 522 G HA2 -0.253 3.707 3.960 0.000 0.000 0.216 522 G HA3 -0.253 3.707 3.960 0.000 0.000 0.216 522 G C 1.658 176.583 174.900 0.042 0.000 1.186 522 G CA 1.032 46.192 45.100 0.100 0.000 0.779 522 G HN 0.590 nan 8.290 nan 0.000 0.543 523 K N -0.693 119.694 120.400 -0.021 0.000 1.991 523 K HA -0.138 4.182 4.320 0.000 0.000 0.212 523 K C 2.298 178.733 176.600 -0.274 0.000 1.049 523 K CA 1.522 57.724 56.287 -0.142 0.000 0.932 523 K CB -0.310 32.103 32.500 -0.145 0.000 0.717 523 K HN 0.415 nan 8.250 nan 0.000 0.441 524 Y N 0.688 120.810 120.300 -0.297 0.000 2.231 524 Y HA -0.027 4.523 4.550 0.000 0.000 0.294 524 Y C 2.108 177.715 175.900 -0.489 0.000 1.120 524 Y CA 0.820 58.571 58.100 -0.581 0.000 1.141 524 Y CB -0.098 37.730 38.460 -1.053 0.000 1.022 524 Y HN -0.019 nan 8.280 nan 0.000 0.523 525 L N -1.933 119.142 121.223 -0.247 0.000 2.217 525 L HA -0.113 4.227 4.340 0.000 0.000 0.211 525 L C 0.694 177.289 176.870 -0.458 0.000 1.107 525 L CA 1.202 55.835 54.840 -0.346 0.000 0.783 525 L CB -0.295 41.346 42.059 -0.697 0.000 0.919 525 L HN 0.162 nan 8.230 nan 0.000 0.442 526 F N -1.642 118.258 119.950 -0.083 0.000 2.698 526 F HA 0.193 4.720 4.527 0.000 0.000 0.304 526 F C 1.604 177.098 175.800 -0.510 0.000 1.108 526 F CA -0.410 57.344 58.000 -0.408 0.000 1.263 526 F CB -0.458 38.308 39.000 -0.391 0.000 1.013 526 F HN -0.093 nan 8.300 nan 0.000 0.532 527 N N 1.287 119.904 118.700 -0.138 0.000 2.205 527 N HA -0.212 4.528 4.740 0.000 0.000 0.186 527 N C 2.004 177.477 175.510 -0.062 0.000 1.015 527 N CA 1.772 54.755 53.050 -0.111 0.000 0.862 527 N CB -0.241 38.201 38.487 -0.075 0.000 0.986 527 N HN 0.546 nan 8.380 nan 0.000 0.429 528 W N -0.190 121.143 121.300 0.055 0.000 2.387 528 W HA 0.035 4.695 4.660 -0.000 0.000 0.272 528 W C 1.274 177.842 176.519 0.082 0.000 1.224 528 W CA 0.764 58.152 57.345 0.071 0.000 1.210 528 W CB -0.923 28.593 29.460 0.094 0.000 1.125 528 W HN 0.055 nan 8.180 nan 0.000 0.572 529 A N 1.359 123.763 122.820 -0.693 0.000 2.169 529 A HA 0.213 4.533 4.320 0.000 0.000 0.212 529 A C 0.990 178.414 177.584 -0.266 0.000 1.153 529 A CA 1.064 52.679 52.037 -0.704 0.000 0.756 529 A CB -0.737 17.639 19.000 -1.040 0.000 0.813 529 A HN 0.151 nan 8.150 nan 0.000 0.471 530 V N -2.418 117.385 119.914 -0.186 0.000 2.667 530 V HA 0.423 4.543 4.120 0.000 0.000 0.308 530 V C 0.894 176.953 176.094 -0.058 0.000 1.048 530 V CA -0.548 61.683 62.300 -0.115 0.000 0.928 530 V CB 1.665 33.413 31.823 -0.125 0.000 1.004 530 V HN 0.444 nan 8.190 nan 0.000 0.444 531 K N 1.502 121.875 120.400 -0.044 0.000 2.031 531 K HA -0.005 4.315 4.320 0.000 0.000 0.205 531 K C 0.743 177.319 176.600 -0.040 0.000 1.049 531 K CA 1.316 57.586 56.287 -0.029 0.000 0.939 531 K CB -0.641 31.847 32.500 -0.020 0.000 0.717 531 K HN 0.646 nan 8.250 nan 0.000 0.438 532 T N 3.125 117.650 114.554 -0.047 0.000 3.455 532 T HA 0.177 4.527 4.350 0.000 0.000 0.286 532 T C -0.443 174.221 174.700 -0.060 0.000 1.157 532 T CA -0.085 61.985 62.100 -0.049 0.000 1.090 532 T CB 0.192 69.031 68.868 -0.048 0.000 1.112 532 T HN 0.095 nan 8.240 nan 0.000 0.779 533 K N 2.290 122.656 120.400 -0.057 0.000 2.350 533 K HA 0.304 4.624 4.320 0.000 0.000 0.279 533 K C 0.063 176.619 176.600 -0.074 0.000 1.027 533 K CA -0.436 55.813 56.287 -0.065 0.000 0.969 533 K CB 0.327 32.798 32.500 -0.049 0.000 0.954 533 K HN 0.267 nan 8.250 nan 0.000 0.474 534 L N 2.480 123.643 121.223 -0.099 0.000 2.453 534 L HA 0.209 4.549 4.340 0.000 0.000 0.261 534 L C 0.107 176.909 176.870 -0.114 0.000 1.179 534 L CA -0.035 54.736 54.840 -0.115 0.000 0.813 534 L CB 0.360 42.324 42.059 -0.159 0.000 1.110 534 L HN 0.359 nan 8.230 nan 0.000 0.466 535 K N 1.972 122.311 120.400 -0.101 0.000 2.284 535 K HA 0.407 4.727 4.320 0.000 0.000 0.287 535 K C -1.204 175.326 176.600 -0.117 0.000 1.081 535 K CA 0.192 56.432 56.287 -0.079 0.000 0.910 535 K CB -0.111 32.362 32.500 -0.045 0.000 1.088 535 K HN 0.431 nan 8.250 nan 0.000 0.478 536 L N 4.722 125.876 121.223 -0.115 0.000 2.276 536 L HA 0.416 4.756 4.340 0.000 0.000 0.286 536 L C 0.427 177.329 176.870 0.054 0.000 1.061 536 L CA -0.614 54.132 54.840 -0.156 0.000 0.807 536 L CB 1.259 43.212 42.059 -0.177 0.000 1.177 536 L HN 0.799 nan 8.230 nan 0.000 0.429 537 T N 0.478 115.114 114.554 0.137 0.000 2.930 537 T HA 0.594 4.944 4.350 0.000 0.000 0.290 537 T C -2.737 172.093 174.700 0.217 0.000 1.052 537 T CA -2.438 59.753 62.100 0.152 0.000 1.017 537 T CB 1.800 70.723 68.868 0.092 0.000 1.137 537 T HN 0.172 nan 8.240 nan 0.000 0.511 538 P HA 0.221 nan 4.420 nan 0.000 0.264 538 P C -0.561 176.766 177.300 0.044 0.000 1.183 538 P CA -0.091 63.061 63.100 0.088 0.000 0.763 538 P CB 0.063 31.795 31.700 0.052 0.000 0.807 539 I N 6.242 126.784 120.570 -0.047 0.000 2.396 539 I HA 0.097 4.267 4.170 0.000 0.000 0.289 539 I C -1.207 174.871 176.117 -0.065 0.000 1.056 539 I CA -1.752 59.474 61.300 -0.124 0.000 1.365 539 I CB 0.957 38.772 38.000 -0.307 0.000 1.407 539 I HN 0.324 nan 8.210 nan 0.000 0.509 540 P HA -0.242 nan 4.420 nan 0.000 0.215 540 P C 1.378 178.655 177.300 -0.038 0.000 1.157 540 P CA 1.270 64.354 63.100 -0.026 0.000 0.874 540 P CB 0.207 31.899 31.700 -0.015 0.000 0.790 541 A N -0.783 122.006 122.820 -0.050 0.000 2.225 541 A HA 0.003 4.323 4.320 0.000 0.000 0.215 541 A C 2.155 179.699 177.584 -0.067 0.000 1.164 541 A CA 1.577 53.583 52.037 -0.052 0.000 0.710 541 A CB -1.284 17.686 19.000 -0.051 0.000 0.780 541 A HN 0.213 nan 8.150 nan 0.000 0.473 542 A N 0.423 123.199 122.820 -0.073 0.000 1.872 542 A HA -0.041 4.279 4.320 0.000 0.000 0.214 542 A C 2.474 180.016 177.584 -0.071 0.000 1.187 542 A CA 1.889 53.878 52.037 -0.079 0.000 0.614 542 A CB -0.986 17.973 19.000 -0.069 0.000 0.826 542 A HN 1.014 nan 8.150 nan 0.000 0.442 543 S N -0.508 115.161 115.700 -0.050 0.000 2.442 543 S HA -0.122 4.348 4.470 0.000 0.000 0.236 543 S C 1.756 176.329 174.600 -0.044 0.000 1.007 543 S CA 0.996 59.172 58.200 -0.042 0.000 0.965 543 S CB -0.328 62.857 63.200 -0.026 0.000 0.773 543 S HN 0.479 nan 8.310 nan 0.000 0.504 544 R N 0.568 121.039 120.500 -0.047 0.000 2.240 544 R HA 0.359 4.699 4.340 0.000 0.000 0.203 544 R C 0.718 176.983 176.300 -0.058 0.000 1.011 544 R CA -0.120 55.954 56.100 -0.043 0.000 1.007 544 R CB -0.819 29.460 30.300 -0.035 0.000 0.911 544 R HN 0.441 nan 8.270 nan 0.000 0.468 545 L N 2.481 123.653 121.223 -0.084 0.000 2.490 545 L HA -0.051 4.289 4.340 0.000 0.000 0.274 545 L C 0.269 177.064 176.870 -0.125 0.000 1.201 545 L CA 0.113 54.881 54.840 -0.121 0.000 0.869 545 L CB 0.337 42.286 42.059 -0.185 0.000 1.123 545 L HN -0.076 nan 8.230 nan 0.000 0.484 546 D N 4.148 124.479 120.400 -0.116 0.000 2.524 546 D HA 0.139 4.779 4.640 0.000 0.000 0.222 546 D C 0.282 176.490 176.300 -0.153 0.000 1.142 546 D CA -0.344 53.602 54.000 -0.090 0.000 0.973 546 D CB 0.530 41.311 40.800 -0.033 0.000 1.025 546 D HN 0.190 nan 8.370 nan 0.000 0.519 547 L N 2.286 123.365 121.223 -0.241 0.000 2.715 547 L HA 0.128 4.468 4.340 0.000 0.000 0.238 547 L C 0.801 177.639 176.870 -0.053 0.000 1.212 547 L CA -0.030 54.572 54.840 -0.397 0.000 1.017 547 L CB -1.190 40.568 42.059 -0.501 0.000 1.269 547 L HN 0.265 nan 8.230 nan 0.000 0.452 548 S N -1.305 114.403 115.700 0.013 0.000 2.576 548 S HA 0.490 4.960 4.470 0.000 0.000 0.276 548 S C 1.388 176.042 174.600 0.090 0.000 1.339 548 S CA 0.041 58.278 58.200 0.062 0.000 1.039 548 S CB 1.165 64.385 63.200 0.035 0.000 0.902 548 S HN 0.599 nan 8.310 nan 0.000 0.516 549 G N 1.187 109.997 108.800 0.017 0.000 2.176 549 G HA2 -0.234 3.726 3.960 0.000 0.000 0.253 549 G HA3 -0.234 3.726 3.960 0.000 0.000 0.253 549 G C -0.368 174.461 174.900 -0.119 0.000 0.979 549 G CA 0.101 45.044 45.100 -0.262 0.000 0.641 549 G HN 0.712 nan 8.290 nan 0.000 0.530 550 W N 0.126 121.300 121.300 -0.211 0.000 2.433 550 W HA 0.715 5.375 4.660 0.000 0.000 0.315 550 W C 0.438 176.813 176.519 -0.240 0.000 1.087 550 W CA -0.875 56.204 57.345 -0.443 0.000 1.205 550 W CB 0.065 29.116 29.460 -0.682 0.000 1.288 550 W HN 0.319 nan 8.180 nan 0.000 0.504 551 F N 1.314 121.427 119.950 0.272 0.000 3.040 551 F HA -0.285 4.242 4.527 0.000 0.000 0.298 551 F C 0.631 176.545 175.800 0.191 0.000 0.948 551 F CA 0.237 58.398 58.000 0.268 0.000 1.022 551 F CB -1.934 37.193 39.000 0.212 0.000 1.023 551 F HN 0.157 nan 8.300 nan 0.000 0.742 552 V N -1.783 118.311 119.914 0.300 0.000 2.627 552 V HA 0.626 4.746 4.120 0.000 0.000 0.239 552 V C 1.388 177.605 176.094 0.205 0.000 1.077 552 V CA 1.118 63.548 62.300 0.216 0.000 1.103 552 V CB 0.207 32.143 31.823 0.188 0.000 0.802 552 V HN 0.657 nan 8.190 nan 0.000 0.482 553 A N -0.757 122.143 122.820 0.135 0.000 2.567 553 A HA 0.813 5.133 4.320 0.000 0.000 0.289 553 A C -0.273 177.007 177.584 -0.507 0.000 1.177 553 A CA 0.048 52.027 52.037 -0.098 0.000 0.694 553 A CB 1.006 19.776 19.000 -0.383 0.000 1.292 553 A HN 0.429 nan 8.150 nan 0.000 0.425 554 G N -1.703 106.527 108.800 -0.951 0.000 2.389 554 G HA2 0.564 4.524 3.960 0.000 0.000 0.328 554 G HA3 0.564 4.524 3.960 0.000 0.000 0.328 554 G C -1.142 173.120 174.900 -1.062 0.000 1.133 554 G CA -0.142 44.066 45.100 -1.488 0.000 0.891 554 G HN 0.592 nan 8.290 nan 0.000 0.485 555 Y N 0.539 120.624 120.300 -0.358 0.000 2.750 555 Y HA 0.285 4.835 4.550 0.000 0.000 0.247 555 Y C 1.138 176.967 175.900 -0.119 0.000 1.098 555 Y CA -0.828 57.171 58.100 -0.168 0.000 1.120 555 Y CB 0.596 38.995 38.460 -0.100 0.000 1.210 555 Y HN 0.516 nan 8.280 nan 0.000 0.601 556 S N 0.817 116.499 115.700 -0.031 0.000 2.515 556 S HA 0.371 4.841 4.470 0.000 0.000 0.285 556 S C 1.379 176.005 174.600 0.043 0.000 1.265 556 S CA 1.369 59.579 58.200 0.016 0.000 1.079 556 S CB 0.120 63.334 63.200 0.023 0.000 0.877 556 S HN 1.099 nan 8.310 nan 0.000 0.493 557 G N 3.453 112.280 108.800 0.044 0.000 2.176 557 G HA2 -0.203 3.757 3.960 0.000 0.000 0.253 557 G HA3 -0.203 3.757 3.960 0.000 0.000 0.253 557 G C 0.750 175.683 174.900 0.055 0.000 0.979 557 G CA 0.267 45.398 45.100 0.052 0.000 0.641 557 G HN 1.360 nan 8.290 nan 0.000 0.530 558 G N -0.277 108.559 108.800 0.060 0.000 3.088 558 G HA2 0.412 4.372 3.960 0.000 0.000 0.217 558 G HA3 0.412 4.372 3.960 0.000 0.000 0.217 558 G C 0.438 175.356 174.900 0.030 0.000 1.159 558 G CA 1.124 46.274 45.100 0.084 0.000 0.760 558 G HN 1.159 nan 8.290 nan 0.000 0.550 559 D N -0.304 120.081 120.400 -0.024 0.000 2.699 559 D HA -0.161 4.479 4.640 0.000 0.000 0.239 559 D C -0.076 176.148 176.300 -0.127 0.000 1.136 559 D CA 0.356 54.312 54.000 -0.072 0.000 0.668 559 D CB -1.178 39.593 40.800 -0.047 0.000 1.060 559 D HN 0.124 nan 8.370 nan 0.000 0.429 560 I N 1.231 121.688 120.570 -0.189 0.000 2.441 560 I HA 0.411 4.581 4.170 0.000 0.000 0.295 560 I C -0.022 175.843 176.117 -0.420 0.000 0.994 560 I CA -0.756 60.323 61.300 -0.369 0.000 1.144 560 I CB 1.334 39.002 38.000 -0.554 0.000 1.314 560 I HN 0.121 nan 8.210 nan 0.000 0.445 561 Y N 5.656 125.554 120.300 -0.670 0.000 2.442 561 Y HA 0.522 5.072 4.550 0.000 0.000 0.344 561 Y C -1.248 174.162 175.900 -0.817 0.000 0.976 561 Y CA -0.621 57.103 58.100 -0.626 0.000 1.040 561 Y CB 1.574 39.805 38.460 -0.382 0.000 1.228 561 Y HN 0.591 nan 8.280 nan 0.000 0.451 562 H N 2.341 120.720 119.070 -1.152 0.000 2.589 562 H HA 0.491 5.047 4.556 0.000 0.000 0.351 562 H C -0.382 174.394 175.328 -0.920 0.000 1.074 562 H CA -0.853 54.688 56.048 -0.845 0.000 1.203 562 H CB 1.751 31.123 29.762 -0.650 0.000 1.558 562 H HN 0.714 nan 8.280 nan 0.000 0.522 563 S N 0.000 115.473 115.700 -0.379 0.000 2.498 563 S HA 0.000 4.470 4.470 0.000 0.000 0.327 563 S CA 0.000 58.084 58.200 -0.194 0.000 1.107 563 S CB 0.000 63.224 63.200 0.040 0.000 0.593 563 S HN 0.000 nan 8.310 nan 0.000 0.517