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 2ax0_1_B DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQPE DATA SEQUENCE KGGRKPARLI 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 KLGVPPLRAW DATA SEQUENCE RHRARNVRAR LLSRGGRAAI CGKYLFNWAV KTKLKLTPIA AAGXXXXXSW DATA SEQUENCE FTAGYSGGDI YH 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.569 174.600 -0.052 0.000 1.055 1 S CA 0.000 58.177 58.200 -0.038 0.000 1.107 1 S CB 0.000 63.167 63.200 -0.055 0.000 0.593 2 M N 3.081 122.643 119.600 -0.063 0.000 2.200 2 M HA 0.263 4.743 4.480 0.000 0.000 0.355 2 M C 1.910 178.101 176.300 -0.181 0.000 1.283 2 M CA 0.064 55.313 55.300 -0.084 0.000 1.124 2 M CB 0.730 33.299 32.600 -0.052 0.000 1.625 2 M HN 1.057 nan 8.290 nan 0.000 0.463 3 S N 3.374 118.902 115.700 -0.286 0.000 2.374 3 S HA -0.125 4.346 4.470 0.000 0.000 0.227 3 S C 0.189 174.411 174.600 -0.630 0.000 1.037 3 S CA 1.099 59.019 58.200 -0.468 0.000 1.024 3 S CB -0.206 62.632 63.200 -0.603 0.000 0.861 3 S HN 0.655 nan 8.310 nan 0.000 0.456 4 Y N -0.458 119.668 120.300 -0.291 0.000 2.588 4 Y HA 0.586 5.136 4.550 0.000 0.000 0.343 4 Y C -0.286 175.287 175.900 -0.545 0.000 1.065 4 Y CA -1.024 56.773 58.100 -0.504 0.000 1.038 4 Y CB 2.161 40.165 38.460 -0.760 0.000 1.297 4 Y HN -0.150 nan 8.280 nan 0.000 0.467 5 T N 1.418 115.672 114.554 -0.500 0.000 2.881 5 T HA 0.383 4.733 4.350 0.000 0.000 0.290 5 T C -1.521 172.891 174.700 -0.480 0.000 1.000 5 T CA -0.797 61.100 62.100 -0.338 0.000 0.978 5 T CB 0.542 69.331 68.868 -0.130 0.000 0.997 5 T HN 0.443 nan 8.240 nan 0.000 0.443 6 W N 1.455 122.806 121.300 0.085 0.000 2.606 6 W HA 0.394 5.054 4.660 0.000 0.000 0.332 6 W C 1.591 178.137 176.519 0.045 0.000 1.052 6 W CA -0.930 56.450 57.345 0.059 0.000 1.223 6 W CB 1.067 30.545 29.460 0.030 0.000 1.383 6 W HN 0.772 nan 8.180 nan 0.000 0.524 7 T N -1.929 112.794 114.554 0.281 0.000 3.014 7 T HA 0.256 4.606 4.350 0.000 0.000 0.263 7 T C 1.504 176.290 174.700 0.143 0.000 1.078 7 T CA 1.093 63.292 62.100 0.165 0.000 1.135 7 T CB -0.104 68.839 68.868 0.126 0.000 0.895 7 T HN 1.115 nan 8.240 nan 0.000 0.480 8 G N 1.279 110.176 108.800 0.162 0.000 2.307 8 G HA2 0.044 4.004 3.960 0.000 0.000 0.210 8 G HA3 0.044 4.004 3.960 0.000 0.000 0.210 8 G C 0.411 175.344 174.900 0.055 0.000 1.005 8 G CA -0.139 45.013 45.100 0.086 0.000 0.634 8 G HN 1.096 nan 8.290 nan 0.000 0.496 9 A N 1.112 123.977 122.820 0.075 0.000 2.520 9 A HA 0.599 4.919 4.320 0.000 0.000 0.235 9 A C 0.795 178.395 177.584 0.026 0.000 1.065 9 A CA 0.354 52.421 52.037 0.051 0.000 0.764 9 A CB 0.098 19.137 19.000 0.064 0.000 1.002 9 A HN 0.944 nan 8.150 nan 0.000 0.502 10 L N 1.714 122.939 121.223 0.003 0.000 2.418 10 L HA 0.319 4.659 4.340 0.000 0.000 0.265 10 L C 0.088 176.946 176.870 -0.021 0.000 1.143 10 L CA -0.335 54.489 54.840 -0.028 0.000 0.809 10 L CB 0.670 42.714 42.059 -0.025 0.000 1.124 10 L HN 0.549 nan 8.230 nan 0.000 0.456 11 I N 1.756 122.295 120.570 -0.052 0.000 2.379 11 I HA 0.102 4.272 4.170 0.000 0.000 0.290 11 I C 0.463 176.572 176.117 -0.012 0.000 1.063 11 I CA -0.000 61.282 61.300 -0.030 0.000 1.351 11 I CB 0.966 38.927 38.000 -0.065 0.000 1.410 11 I HN 0.676 nan 8.210 nan 0.000 0.505 12 T N 5.017 119.575 114.554 0.007 0.000 2.925 12 T HA 0.594 4.944 4.350 0.000 0.000 0.285 12 T C -2.547 172.170 174.700 0.028 0.000 1.021 12 T CA -2.088 60.021 62.100 0.014 0.000 1.042 12 T CB 1.877 70.753 68.868 0.014 0.000 1.037 12 T HN 0.278 nan 8.240 nan 0.000 0.481 13 P HA 0.254 nan 4.420 nan 0.000 0.282 13 P C 0.970 178.295 177.300 0.041 0.000 1.249 13 P CA -0.781 62.344 63.100 0.042 0.000 0.806 13 P CB 0.957 32.682 31.700 0.042 0.000 0.984 14 C N 0.642 119.971 119.300 0.049 0.000 2.594 14 C HA 0.684 5.144 4.460 0.000 0.000 0.265 14 C C 0.849 175.861 174.990 0.038 0.000 1.351 14 C CA 0.188 59.232 59.018 0.044 0.000 1.744 14 C CB -1.329 26.443 27.740 0.054 0.000 1.890 14 C HN 0.719 nan 8.230 nan 0.000 0.551 15 A N -0.205 122.640 122.820 0.042 0.000 2.566 15 A HA 0.744 5.064 4.320 0.000 0.000 0.290 15 A C -0.348 177.264 177.584 0.047 0.000 1.071 15 A CA -0.031 52.030 52.037 0.040 0.000 0.658 15 A CB -0.302 18.722 19.000 0.040 0.000 1.285 15 A HN 1.471 nan 8.150 nan 0.000 0.427 16 A N 0.226 123.074 122.820 0.046 0.000 2.561 16 A HA 0.475 4.795 4.320 0.000 0.000 0.234 16 A C 0.075 177.701 177.584 0.070 0.000 1.055 16 A CA 0.696 52.764 52.037 0.053 0.000 0.756 16 A CB -0.342 18.687 19.000 0.048 0.000 0.986 16 A HN 0.633 nan 8.150 nan 0.000 0.505 17 E N 1.451 121.699 120.200 0.080 0.000 2.187 17 E HA 0.342 4.692 4.350 0.000 0.000 0.268 17 E C -0.884 175.800 176.600 0.139 0.000 0.896 17 E CA -0.783 55.681 56.400 0.107 0.000 0.766 17 E CB 1.458 31.214 29.700 0.094 0.000 1.142 17 E HN 0.619 nan 8.360 nan 0.000 0.408 18 E N 1.215 121.537 120.200 0.203 0.000 2.249 18 E HA 0.126 4.477 4.350 0.000 0.000 0.280 18 E C 0.204 177.039 176.600 0.392 0.000 1.016 18 E CA -0.090 56.474 56.400 0.274 0.000 0.830 18 E CB 1.677 31.551 29.700 0.291 0.000 1.081 18 E HN 0.617 nan 8.360 nan 0.000 0.395 19 S N 1.623 117.540 115.700 0.362 0.000 2.589 19 S HA 0.200 4.670 4.470 0.000 0.000 0.235 19 S C 0.432 175.299 174.600 0.445 0.000 1.051 19 S CA -0.248 58.157 58.200 0.342 0.000 0.978 19 S CB 0.630 63.962 63.200 0.221 0.000 0.929 19 S HN 0.210 nan 8.310 nan 0.000 0.523 20 K N 0.918 121.578 120.400 0.434 0.000 2.259 20 K HA 0.548 4.868 4.320 0.000 0.000 0.249 20 K C -1.600 175.190 176.600 0.317 0.000 0.942 20 K CA -0.908 55.608 56.287 0.383 0.000 0.816 20 K CB 2.007 34.640 32.500 0.221 0.000 1.155 20 K HN 0.129 nan 8.250 nan 0.000 0.428 21 L N 4.915 126.330 121.223 0.320 0.000 2.315 21 L HA 0.253 4.593 4.340 0.000 0.000 0.283 21 L C -2.194 174.661 176.870 -0.025 0.000 1.089 21 L CA -1.432 53.468 54.840 0.099 0.000 0.833 21 L CB 0.202 42.413 42.059 0.255 0.000 1.170 21 L HN 0.458 nan 8.230 nan 0.000 0.442 22 P HA 0.131 nan 4.420 nan 0.000 0.274 22 P C -0.465 176.702 177.300 -0.221 0.000 1.237 22 P CA -0.259 62.736 63.100 -0.177 0.000 0.793 22 P CB 0.824 32.407 31.700 -0.194 0.000 0.977 23 I N 2.491 122.893 120.570 -0.281 0.000 2.421 23 I HA 0.134 4.304 4.170 0.000 0.000 0.291 23 I C 0.935 176.956 176.117 -0.160 0.000 1.089 23 I CA 0.213 61.331 61.300 -0.303 0.000 1.354 23 I CB -0.315 37.490 38.000 -0.325 0.000 1.413 23 I HN 0.355 nan 8.210 nan 0.000 0.513 24 N N 5.362 123.992 118.700 -0.117 0.000 2.260 24 N HA 0.339 5.079 4.740 0.000 0.000 0.293 24 N C 0.396 175.879 175.510 -0.045 0.000 1.058 24 N CA -0.296 52.705 53.050 -0.082 0.000 0.824 24 N CB 2.206 40.633 38.487 -0.100 0.000 1.551 24 N HN 0.556 nan 8.380 nan 0.000 0.475 25 A N 4.092 126.891 122.820 -0.035 0.000 1.892 25 A HA -0.141 4.179 4.320 0.000 0.000 0.218 25 A C 2.070 179.652 177.584 -0.005 0.000 1.188 25 A CA 1.328 53.354 52.037 -0.018 0.000 0.631 25 A CB -0.673 18.315 19.000 -0.020 0.000 0.822 25 A HN 0.728 nan 8.150 nan 0.000 0.447 26 L N 0.180 121.398 121.223 -0.008 0.000 2.017 26 L HA -0.207 4.133 4.340 0.000 0.000 0.208 26 L C 3.088 180.003 176.870 0.074 0.000 1.073 26 L CA 1.860 56.708 54.840 0.013 0.000 0.745 26 L CB -0.640 41.408 42.059 -0.018 0.000 0.894 26 L HN 0.653 nan 8.230 nan 0.000 0.432 27 S N -0.994 114.728 115.700 0.037 0.000 2.387 27 S HA -0.196 4.274 4.470 0.000 0.000 0.226 27 S C 1.758 176.381 174.600 0.037 0.000 1.026 27 S CA 1.162 59.385 58.200 0.039 0.000 0.972 27 S CB -0.677 62.527 63.200 0.007 0.000 0.814 27 S HN 0.445 nan 8.310 nan 0.000 0.477 28 N N 1.884 120.604 118.700 0.034 0.000 2.289 28 N HA -0.141 4.599 4.740 0.000 0.000 0.184 28 N C 1.807 177.342 175.510 0.041 0.000 1.016 28 N CA 1.528 54.607 53.050 0.049 0.000 0.872 28 N CB -0.235 38.277 38.487 0.041 0.000 0.973 28 N HN 0.684 nan 8.380 nan 0.000 0.433 29 S N 0.153 115.879 115.700 0.042 0.000 2.447 29 S HA -0.108 4.362 4.470 0.000 0.000 0.233 29 S C 1.872 176.515 174.600 0.071 0.000 1.006 29 S CA 0.438 58.657 58.200 0.032 0.000 0.957 29 S CB -0.123 63.097 63.200 0.034 0.000 0.773 29 S HN 0.305 nan 8.310 nan 0.000 0.507 30 L N 0.046 121.322 121.223 0.088 0.000 2.200 30 L HA 0.563 4.903 4.340 0.000 0.000 0.200 30 L C 0.313 177.236 176.870 0.088 0.000 1.072 30 L CA 0.962 55.863 54.840 0.102 0.000 0.787 30 L CB 0.046 41.916 42.059 -0.316 0.000 0.957 30 L HN 0.489 nan 8.230 nan 0.000 0.459 31 L N -0.413 120.829 121.223 0.031 0.000 2.441 31 L HA 0.396 4.736 4.340 0.000 0.000 0.270 31 L C 0.635 177.529 176.870 0.040 0.000 0.973 31 L CA -0.384 54.469 54.840 0.021 0.000 0.842 31 L CB 1.431 43.507 42.059 0.028 0.000 1.239 31 L HN 0.040 nan 8.230 nan 0.000 0.406 32 R N 1.385 121.875 120.500 -0.018 0.000 2.127 32 R HA 0.091 4.431 4.340 0.000 0.000 0.217 32 R C 0.163 176.552 176.300 0.148 0.000 1.074 32 R CA 0.585 56.715 56.100 0.049 0.000 0.991 32 R CB 0.026 30.326 30.300 -0.001 0.000 0.895 32 R HN 0.652 nan 8.270 nan 0.000 0.450 33 H N 0.947 120.031 119.070 0.022 0.000 2.970 33 H HA -0.005 4.551 4.556 0.000 0.000 0.226 33 H C 0.804 176.101 175.328 -0.052 0.000 1.909 33 H CA -0.456 55.555 56.048 -0.061 0.000 1.388 33 H CB -0.034 29.712 29.762 -0.027 0.000 1.773 33 H HN 0.453 nan 8.280 nan 0.000 0.559 34 H N -0.344 118.828 119.070 0.170 0.000 2.422 34 H HA -0.144 4.412 4.556 0.000 0.000 0.298 34 H C 1.159 176.576 175.328 0.149 0.000 1.098 34 H CA 1.514 57.645 56.048 0.138 0.000 1.315 34 H CB -0.253 29.567 29.762 0.097 0.000 1.382 34 H HN 0.451 nan 8.280 nan 0.000 0.523 35 N N -0.053 118.576 118.700 -0.119 0.000 2.520 35 N HA -0.030 4.710 4.740 0.000 0.000 0.185 35 N C 1.117 176.685 175.510 0.098 0.000 1.068 35 N CA 0.954 54.026 53.050 0.037 0.000 0.911 35 N CB -0.036 38.411 38.487 -0.068 0.000 0.961 35 N HN 0.411 nan 8.380 nan 0.000 0.446 36 M N 0.186 119.851 119.600 0.108 0.000 2.506 36 M HA 0.049 4.529 4.480 0.000 0.000 0.260 36 M C -0.135 176.311 176.300 0.243 0.000 1.104 36 M CA 0.443 55.834 55.300 0.150 0.000 1.112 36 M CB 0.562 33.243 32.600 0.136 0.000 1.401 36 M HN -0.125 nan 8.290 nan 0.000 0.473 37 V N 1.011 121.080 119.914 0.258 0.000 2.481 37 V HA 0.320 4.440 4.120 0.000 0.000 0.286 37 V C -0.671 175.635 176.094 0.353 0.000 1.042 37 V CA -0.675 61.783 62.300 0.263 0.000 0.928 37 V CB 0.518 32.496 31.823 0.259 0.000 0.986 37 V HN 0.332 nan 8.190 nan 0.000 0.462 38 Y N 2.280 122.649 120.300 0.115 0.000 2.655 38 Y HA 0.916 5.467 4.550 0.000 0.000 0.336 38 Y C -0.540 175.265 175.900 -0.158 0.000 1.154 38 Y CA -1.370 56.773 58.100 0.073 0.000 1.055 38 Y CB 1.646 40.157 38.460 0.085 0.000 1.295 38 Y HN 0.697 nan 8.280 nan 0.000 0.465 39 A N 1.406 124.104 122.820 -0.203 0.000 2.355 39 A HA 0.666 4.986 4.320 0.000 0.000 0.317 39 A C -0.215 177.387 177.584 0.029 0.000 1.094 39 A CA -0.400 51.381 52.037 -0.426 0.000 0.764 39 A CB 0.695 19.276 19.000 -0.699 0.000 1.230 39 A HN 1.094 nan 8.150 nan 0.000 0.448 40 T N 0.076 114.663 114.554 0.056 0.000 2.898 40 T HA 0.579 4.929 4.350 0.000 0.000 0.301 40 T C 0.428 175.184 174.700 0.094 0.000 1.049 40 T CA 0.459 62.664 62.100 0.176 0.000 1.095 40 T CB 0.815 69.800 68.868 0.196 0.000 0.976 40 T HN 1.607 nan 8.240 nan 0.000 0.539 41 T N -2.175 112.435 114.554 0.095 0.000 2.778 41 T HA 0.474 4.824 4.350 0.000 0.000 0.293 41 T C 1.338 176.068 174.700 0.049 0.000 1.144 41 T CA -0.204 61.938 62.100 0.070 0.000 1.010 41 T CB 1.106 70.020 68.868 0.077 0.000 1.325 41 T HN 0.791 nan 8.240 nan 0.000 0.515 42 S N -0.131 115.593 115.700 0.039 0.000 2.500 42 S HA -0.089 4.381 4.470 0.000 0.000 0.239 42 S C 1.729 176.330 174.600 0.001 0.000 0.989 42 S CA 0.325 58.535 58.200 0.017 0.000 0.951 42 S CB -0.694 62.517 63.200 0.018 0.000 0.759 42 S HN 0.702 nan 8.310 nan 0.000 0.523 43 R N 1.533 122.040 120.500 0.013 0.000 2.193 43 R HA -0.014 4.326 4.340 0.000 0.000 0.229 43 R C 2.006 178.297 176.300 -0.015 0.000 1.110 43 R CA 1.420 57.520 56.100 0.001 0.000 0.988 43 R CB -0.423 29.885 30.300 0.014 0.000 0.871 43 R HN 0.718 nan 8.270 nan 0.000 0.458 44 S N -0.849 114.845 115.700 -0.009 0.000 2.557 44 S HA 0.260 4.730 4.470 0.000 0.000 0.223 44 S C 1.719 176.291 174.600 -0.047 0.000 0.969 44 S CA 0.116 58.302 58.200 -0.024 0.000 0.927 44 S CB 0.922 64.119 63.200 -0.006 0.000 0.806 44 S HN 0.249 nan 8.310 nan 0.000 0.489 45 A N 2.126 124.910 122.820 -0.059 0.000 1.948 45 A HA 0.089 4.410 4.320 0.000 0.000 0.220 45 A C 2.265 179.746 177.584 -0.171 0.000 1.177 45 A CA 1.746 53.721 52.037 -0.102 0.000 0.636 45 A CB -1.692 17.243 19.000 -0.108 0.000 0.815 45 A HN 0.688 nan 8.150 nan 0.000 0.449 46 G N -0.332 108.368 108.800 -0.166 0.000 2.422 46 G HA2 -0.155 3.805 3.960 0.000 0.000 0.218 46 G HA3 -0.155 3.805 3.960 0.000 0.000 0.218 46 G C 1.522 176.324 174.900 -0.164 0.000 1.146 46 G CA 1.014 45.991 45.100 -0.205 0.000 0.769 46 G HN 0.463 nan 8.290 nan 0.000 0.547 47 L N -0.400 120.760 121.223 -0.105 0.000 2.056 47 L HA -0.012 4.328 4.340 0.000 0.000 0.207 47 L C 2.904 179.736 176.870 -0.063 0.000 1.078 47 L CA 1.170 55.967 54.840 -0.071 0.000 0.749 47 L CB -0.310 41.719 42.059 -0.050 0.000 0.901 47 L HN 0.145 nan 8.230 nan 0.000 0.433 48 R N 0.429 120.884 120.500 -0.074 0.000 2.075 48 R HA -0.139 4.201 4.340 0.000 0.000 0.232 48 R C 2.262 178.516 176.300 -0.078 0.000 1.126 48 R CA 1.457 57.528 56.100 -0.049 0.000 0.963 48 R CB -0.329 29.947 30.300 -0.041 0.000 0.858 48 R HN 0.348 nan 8.270 nan 0.000 0.435 49 Q N 0.042 119.716 119.800 -0.210 0.000 2.096 49 Q HA -0.229 4.111 4.340 0.000 0.000 0.204 49 Q C 1.975 177.915 176.000 -0.099 0.000 0.982 49 Q CA 2.129 57.731 55.803 -0.334 0.000 0.850 49 Q CB -0.217 28.019 28.738 -0.837 0.000 0.901 49 Q HN 0.304 nan 8.270 nan 0.000 0.422 50 K N 1.184 121.535 120.400 -0.081 0.000 2.057 50 K HA -0.212 4.108 4.320 0.000 0.000 0.207 50 K C 2.062 178.731 176.600 0.115 0.000 1.049 50 K CA 1.438 57.741 56.287 0.026 0.000 0.931 50 K CB -0.006 32.493 32.500 -0.001 0.000 0.714 50 K HN -0.035 nan 8.250 nan 0.000 0.440 51 K N 0.627 121.087 120.400 0.100 0.000 2.097 51 K HA -0.078 4.242 4.320 0.000 0.000 0.205 51 K C 1.739 178.523 176.600 0.307 0.000 1.050 51 K CA 1.390 57.775 56.287 0.163 0.000 0.938 51 K CB 0.125 32.690 32.500 0.109 0.000 0.718 51 K HN 0.226 nan 8.250 nan 0.000 0.442 52 V N -0.954 119.120 119.914 0.267 0.000 3.573 52 V HA 0.090 4.210 4.120 0.000 0.000 0.270 52 V C 0.146 176.400 176.094 0.267 0.000 1.221 52 V CA 0.259 62.758 62.300 0.332 0.000 1.163 52 V CB -0.103 31.870 31.823 0.250 0.000 0.847 52 V HN 0.008 nan 8.190 nan 0.000 0.468 53 T N 4.347 119.097 114.554 0.325 0.000 2.753 53 T HA 0.722 5.072 4.350 0.000 0.000 0.297 53 T C -0.768 174.097 174.700 0.274 0.000 0.981 53 T CA -0.041 62.226 62.100 0.278 0.000 0.956 53 T CB 0.304 69.444 68.868 0.454 0.000 0.936 53 T HN 0.642 nan 8.240 nan 0.000 0.463 54 F N -0.085 119.966 119.950 0.169 0.000 2.741 54 F HA 0.618 5.145 4.527 0.000 0.000 0.311 54 F C -1.199 174.638 175.800 0.063 0.000 1.149 54 F CA -1.709 56.352 58.000 0.101 0.000 0.930 54 F CB 0.690 39.741 39.000 0.084 0.000 1.312 54 F HN 0.246 nan 8.300 nan 0.000 0.450 55 D N 1.162 121.735 120.400 0.288 0.000 2.304 55 D HA 0.398 5.038 4.640 0.000 0.000 0.250 55 D C -0.659 175.792 176.300 0.253 0.000 1.107 55 D CA -0.002 54.096 54.000 0.164 0.000 0.885 55 D CB 0.906 41.772 40.800 0.110 0.000 1.192 55 D HN 0.568 nan 8.370 nan 0.000 0.436 56 R N 2.171 122.758 120.500 0.145 0.000 2.349 56 R HA 0.514 4.855 4.340 0.000 0.000 0.299 56 R C -0.848 175.501 176.300 0.082 0.000 1.027 56 R CA -0.791 55.403 56.100 0.157 0.000 0.958 56 R CB 0.910 31.262 30.300 0.086 0.000 1.047 56 R HN 0.403 nan 8.270 nan 0.000 0.468 57 L N 2.239 123.505 121.223 0.072 0.000 2.325 57 L HA 0.454 4.794 4.340 0.000 0.000 0.281 57 L C -1.155 175.725 176.870 0.017 0.000 1.004 57 L CA 0.010 54.868 54.840 0.031 0.000 0.823 57 L CB 1.425 43.496 42.059 0.020 0.000 1.236 57 L HN 0.653 nan 8.230 nan 0.000 0.415 58 Q N 4.160 123.959 119.800 -0.001 0.000 2.274 58 Q HA 0.681 5.022 4.340 0.000 0.000 0.268 58 Q C -2.122 173.859 176.000 -0.032 0.000 1.015 58 Q CA -0.635 55.160 55.803 -0.014 0.000 0.775 58 Q CB 2.193 30.913 28.738 -0.029 0.000 1.256 58 Q HN 0.585 nan 8.270 nan 0.000 0.442 59 V N 5.513 125.415 119.914 -0.020 0.000 2.483 59 V HA 0.463 4.583 4.120 0.000 0.000 0.297 59 V C -0.428 175.665 176.094 -0.002 0.000 1.027 59 V CA -0.644 61.641 62.300 -0.025 0.000 0.855 59 V CB 1.597 33.409 31.823 -0.019 0.000 0.995 59 V HN 0.751 nan 8.190 nan 0.000 0.424 60 L N 4.843 126.017 121.223 -0.082 0.000 2.334 60 L HA 0.733 5.073 4.340 0.000 0.000 0.275 60 L C -0.295 176.576 176.870 0.002 0.000 1.036 60 L CA -0.523 54.229 54.840 -0.147 0.000 0.807 60 L CB 1.724 43.531 42.059 -0.420 0.000 1.231 60 L HN 0.772 nan 8.230 nan 0.000 0.438 61 D N -1.148 119.316 120.400 0.107 0.000 2.687 61 D HA 0.200 4.840 4.640 0.000 0.000 0.264 61 D C 0.103 176.463 176.300 0.099 0.000 1.091 61 D CA -0.641 53.419 54.000 0.100 0.000 1.123 61 D CB 0.619 41.494 40.800 0.124 0.000 1.407 61 D HN 0.279 nan 8.370 nan 0.000 0.591 62 D N -1.136 119.270 120.400 0.011 0.000 2.144 62 D HA -0.160 4.480 4.640 0.000 0.000 0.199 62 D C 1.671 177.987 176.300 0.027 0.000 0.984 62 D CA 1.230 55.218 54.000 -0.020 0.000 0.834 62 D CB -0.211 40.526 40.800 -0.105 0.000 0.955 62 D HN 0.407 nan 8.370 nan 0.000 0.465 63 H N -0.556 118.575 119.070 0.101 0.000 2.352 63 H HA -0.154 4.402 4.556 0.000 0.000 0.299 63 H C 1.999 177.353 175.328 0.044 0.000 1.097 63 H CA 1.005 57.103 56.048 0.083 0.000 1.311 63 H CB -0.667 29.173 29.762 0.130 0.000 1.377 63 H HN 0.342 nan 8.280 nan 0.000 0.504 64 Y N 1.864 122.177 120.300 0.021 0.000 2.163 64 Y HA -0.192 4.358 4.550 0.000 0.000 0.288 64 Y C 2.607 178.448 175.900 -0.098 0.000 1.136 64 Y CA 1.519 59.507 58.100 -0.186 0.000 1.147 64 Y CB -0.013 38.211 38.460 -0.393 0.000 0.987 64 Y HN -0.032 nan 8.280 nan 0.000 0.509 65 R N 0.148 120.734 120.500 0.143 0.000 2.096 65 R HA -0.150 4.190 4.340 0.000 0.000 0.235 65 R C 1.724 178.009 176.300 -0.025 0.000 1.127 65 R CA 1.438 57.571 56.100 0.056 0.000 0.968 65 R CB -0.364 29.991 30.300 0.092 0.000 0.861 65 R HN 0.407 nan 8.270 nan 0.000 0.440 66 D N 0.326 120.729 120.400 0.005 0.000 2.084 66 D HA -0.118 4.522 4.640 0.000 0.000 0.194 66 D C 2.034 178.317 176.300 -0.029 0.000 0.990 66 D CA 1.127 55.132 54.000 0.008 0.000 0.826 66 D CB -0.278 40.559 40.800 0.062 0.000 0.971 66 D HN -0.020 nan 8.370 nan 0.000 0.453 67 V N 1.199 121.073 119.914 -0.066 0.000 2.343 67 V HA -0.217 3.903 4.120 0.000 0.000 0.247 67 V C 2.496 178.518 176.094 -0.120 0.000 1.051 67 V CA 1.071 63.315 62.300 -0.093 0.000 1.036 67 V CB -0.474 31.260 31.823 -0.149 0.000 0.654 67 V HN 0.130 nan 8.190 nan 0.000 0.451 68 L N 0.288 121.375 121.223 -0.227 0.000 2.046 68 L HA -0.161 4.179 4.340 0.000 0.000 0.208 68 L C 2.412 179.221 176.870 -0.102 0.000 1.077 68 L CA 2.034 56.746 54.840 -0.213 0.000 0.747 68 L CB -0.839 41.041 42.059 -0.298 0.000 0.896 68 L HN 0.178 nan 8.230 nan 0.000 0.432 69 K N -0.027 120.330 120.400 -0.072 0.000 2.026 69 K HA -0.217 4.103 4.320 0.000 0.000 0.208 69 K C 1.942 178.528 176.600 -0.025 0.000 1.048 69 K CA 2.065 58.330 56.287 -0.036 0.000 0.929 69 K CB -0.114 32.374 32.500 -0.020 0.000 0.713 69 K HN 0.560 nan 8.250 nan 0.000 0.439 70 E N 0.103 120.292 120.200 -0.018 0.000 2.077 70 E HA -0.169 4.181 4.350 0.000 0.000 0.193 70 E C 2.178 178.778 176.600 0.001 0.000 0.989 70 E CA 1.416 57.816 56.400 0.001 0.000 0.800 70 E CB -0.115 29.596 29.700 0.017 0.000 0.746 70 E HN 0.314 nan 8.360 nan 0.000 0.452 71 M N 0.592 120.189 119.600 -0.005 0.000 2.117 71 M HA -0.162 4.318 4.480 0.000 0.000 0.262 71 M C 2.119 178.397 176.300 -0.036 0.000 1.065 71 M CA 1.436 56.727 55.300 -0.015 0.000 1.114 71 M CB -0.097 32.494 32.600 -0.016 0.000 1.361 71 M HN -0.052 nan 8.290 nan 0.000 0.408 72 K N 0.253 120.630 120.400 -0.038 0.000 2.097 72 K HA -0.065 4.255 4.320 0.000 0.000 0.205 72 K C 2.123 178.710 176.600 -0.021 0.000 1.050 72 K CA 1.321 57.588 56.287 -0.033 0.000 0.938 72 K CB -0.258 32.223 32.500 -0.032 0.000 0.718 72 K HN 0.289 nan 8.250 nan 0.000 0.442 73 A N 1.972 124.782 122.820 -0.017 0.000 1.908 73 A HA -0.225 4.095 4.320 0.000 0.000 0.218 73 A C 1.896 179.472 177.584 -0.013 0.000 1.181 73 A CA 1.693 53.724 52.037 -0.010 0.000 0.627 73 A CB -0.301 18.696 19.000 -0.005 0.000 0.818 73 A HN 0.202 nan 8.150 nan 0.000 0.445 74 K N -0.443 119.946 120.400 -0.019 0.000 2.155 74 K HA 0.087 4.407 4.320 0.000 0.000 0.203 74 K C 2.158 178.738 176.600 -0.033 0.000 1.052 74 K CA 0.916 57.187 56.287 -0.027 0.000 0.948 74 K CB -0.242 32.236 32.500 -0.036 0.000 0.728 74 K HN 0.431 nan 8.250 nan 0.000 0.448 75 A N 0.768 123.569 122.820 -0.033 0.000 2.015 75 A HA -0.082 4.238 4.320 0.000 0.000 0.219 75 A C 1.944 179.522 177.584 -0.010 0.000 1.163 75 A CA 1.350 53.372 52.037 -0.025 0.000 0.646 75 A CB -0.300 18.688 19.000 -0.019 0.000 0.806 75 A HN 0.133 nan 8.150 nan 0.000 0.448 76 S N -0.263 115.432 115.700 -0.009 0.000 2.547 76 S HA -0.078 4.392 4.470 0.000 0.000 0.235 76 S C 1.827 176.425 174.600 -0.003 0.000 0.980 76 S CA 1.465 59.664 58.200 -0.002 0.000 0.941 76 S CB -0.387 62.812 63.200 -0.002 0.000 0.763 76 S HN 0.893 nan 8.310 nan 0.000 0.532 77 T N -1.276 113.273 114.554 -0.009 0.000 3.086 77 T HA 0.245 4.595 4.350 0.000 0.000 0.250 77 T C 0.419 175.113 174.700 -0.011 0.000 1.074 77 T CA -0.172 61.922 62.100 -0.009 0.000 0.988 77 T CB -0.138 68.722 68.868 -0.012 0.000 0.988 77 T HN 0.004 nan 8.240 nan 0.000 0.530 78 V N 1.905 121.812 119.914 -0.012 0.000 2.509 78 V HA 0.469 4.590 4.120 0.000 0.000 0.284 78 V C -0.016 176.076 176.094 -0.003 0.000 1.047 78 V CA -0.875 61.416 62.300 -0.014 0.000 0.952 78 V CB 1.365 33.174 31.823 -0.022 0.000 0.988 78 V HN 0.392 nan 8.190 nan 0.000 0.469 79 K N 3.377 123.775 120.400 -0.003 0.000 2.376 79 K HA 0.789 5.109 4.320 0.000 0.000 0.257 79 K C -0.822 175.780 176.600 0.004 0.000 0.939 79 K CA -0.434 55.856 56.287 0.005 0.000 0.809 79 K CB 1.719 34.222 32.500 0.006 0.000 1.121 79 K HN 0.838 nan 8.250 nan 0.000 0.425 80 A N 3.956 126.783 122.820 0.012 0.000 2.374 80 A HA 0.587 4.907 4.320 0.000 0.000 0.317 80 A C -1.157 176.443 177.584 0.026 0.000 1.094 80 A CA -0.933 51.111 52.037 0.013 0.000 0.765 80 A CB 1.151 20.154 19.000 0.005 0.000 1.268 80 A HN 0.639 nan 8.150 nan 0.000 0.438 81 K N 0.791 121.208 120.400 0.029 0.000 2.098 81 K HA 0.494 4.814 4.320 0.000 0.000 0.258 81 K C -1.063 175.564 176.600 0.044 0.000 0.973 81 K CA -0.708 55.599 56.287 0.034 0.000 0.898 81 K CB 1.892 34.409 32.500 0.028 0.000 1.057 81 K HN 0.516 nan 8.250 nan 0.000 0.447 82 L N 2.255 123.501 121.223 0.039 0.000 2.312 82 L HA 0.255 4.595 4.340 0.000 0.000 0.281 82 L C -0.786 176.073 176.870 -0.017 0.000 1.070 82 L CA -0.527 54.333 54.840 0.033 0.000 0.805 82 L CB 0.631 42.720 42.059 0.051 0.000 1.174 82 L HN 0.369 nan 8.230 nan 0.000 0.434 83 L N 3.277 124.472 121.223 -0.046 0.000 2.375 83 L HA 0.455 4.795 4.340 0.000 0.000 0.271 83 L C 0.486 177.251 176.870 -0.176 0.000 1.107 83 L CA 0.374 55.163 54.840 -0.084 0.000 0.806 83 L CB 1.443 43.460 42.059 -0.070 0.000 1.146 83 L HN 0.852 nan 8.230 nan 0.000 0.447 84 S N 1.168 116.775 115.700 -0.154 0.000 2.645 84 S HA 0.287 4.757 4.470 0.000 0.000 0.266 84 S C 1.199 175.664 174.600 -0.224 0.000 1.258 84 S CA -0.715 57.374 58.200 -0.184 0.000 0.990 84 S CB 0.969 64.097 63.200 -0.119 0.000 0.967 84 S HN 0.311 nan 8.310 nan 0.000 0.556 85 V N 1.384 121.148 119.914 -0.250 0.000 2.407 85 V HA -0.136 3.984 4.120 0.000 0.000 0.248 85 V C 2.554 178.536 176.094 -0.187 0.000 1.055 85 V CA 2.233 64.371 62.300 -0.271 0.000 1.049 85 V CB -1.398 30.224 31.823 -0.335 0.000 0.662 85 V HN 0.822 nan 8.190 nan 0.000 0.455 86 E N 0.496 120.611 120.200 -0.142 0.000 2.031 86 E HA -0.197 4.153 4.350 0.000 0.000 0.193 86 E C 2.209 178.739 176.600 -0.117 0.000 0.994 86 E CA 1.546 57.880 56.400 -0.111 0.000 0.800 86 E CB -0.356 29.294 29.700 -0.083 0.000 0.752 86 E HN 0.690 nan 8.360 nan 0.000 0.447 87 E N 0.429 120.555 120.200 -0.123 0.000 2.077 87 E HA -0.182 4.168 4.350 0.000 0.000 0.193 87 E C 2.068 178.562 176.600 -0.177 0.000 0.989 87 E CA 1.044 57.364 56.400 -0.134 0.000 0.800 87 E CB -0.224 29.404 29.700 -0.120 0.000 0.746 87 E HN 0.270 nan 8.360 nan 0.000 0.452 88 A N 0.941 123.652 122.820 -0.182 0.000 1.902 88 A HA -0.191 4.129 4.320 0.000 0.000 0.217 88 A C 2.441 179.926 177.584 -0.164 0.000 1.181 88 A CA 1.209 53.132 52.037 -0.191 0.000 0.623 88 A CB -0.883 18.013 19.000 -0.174 0.000 0.818 88 A HN 0.365 nan 8.150 nan 0.000 0.443 89 C N -0.249 118.966 119.300 -0.143 0.000 2.429 89 C HA -0.064 4.396 4.460 0.000 0.000 0.277 89 C C 2.620 177.539 174.990 -0.118 0.000 1.262 89 C CA 1.209 60.156 59.018 -0.119 0.000 1.733 89 C CB -0.759 26.915 27.740 -0.111 0.000 2.010 89 C HN 0.493 nan 8.230 nan 0.000 0.483 90 K N 0.855 121.186 120.400 -0.114 0.000 2.283 90 K HA 0.049 4.369 4.320 0.000 0.000 0.202 90 K C 1.529 178.089 176.600 -0.067 0.000 1.048 90 K CA 0.895 57.131 56.287 -0.086 0.000 0.948 90 K CB -0.482 31.975 32.500 -0.072 0.000 0.742 90 K HN 0.537 nan 8.250 nan 0.000 0.458 91 L N 1.190 122.331 121.223 -0.136 0.000 2.599 91 L HA -0.004 4.336 4.340 0.000 0.000 0.230 91 L C 0.279 177.077 176.870 -0.120 0.000 1.141 91 L CA 0.229 54.970 54.840 -0.165 0.000 0.877 91 L CB -0.214 41.623 42.059 -0.371 0.000 1.009 91 L HN -0.079 nan 8.230 nan 0.000 0.447 92 T N 1.546 116.026 114.554 -0.123 0.000 2.749 92 T HA 0.220 4.570 4.350 0.000 0.000 0.295 92 T C -2.309 172.244 174.700 -0.245 0.000 0.936 92 T CA -1.188 60.827 62.100 -0.142 0.000 1.060 92 T CB 1.045 69.838 68.868 -0.124 0.000 0.904 92 T HN -0.151 nan 8.240 nan 0.000 0.500 93 P HA 0.116 nan 4.420 nan 0.000 0.265 93 P C -1.871 175.159 177.300 -0.450 0.000 1.193 93 P CA -1.236 61.631 63.100 -0.388 0.000 0.765 93 P CB 0.246 31.863 31.700 -0.138 0.000 0.823 94 P HA -0.174 nan 4.420 nan 0.000 0.218 94 P C 0.540 177.492 177.300 -0.579 0.000 1.146 94 P CA 1.648 64.379 63.100 -0.615 0.000 0.813 94 P CB -0.112 31.150 31.700 -0.731 0.000 0.778 95 H N -2.327 116.634 119.070 -0.180 0.000 2.469 95 H HA 0.273 4.829 4.556 0.000 0.000 0.286 95 H C 0.452 175.711 175.328 -0.114 0.000 1.106 95 H CA -0.217 55.760 56.048 -0.118 0.000 1.055 95 H CB 0.076 29.785 29.762 -0.088 0.000 1.618 95 H HN 0.048 nan 8.280 nan 0.000 0.559 96 S N 1.086 116.743 115.700 -0.071 0.000 2.572 96 S HA 0.339 4.809 4.470 0.000 0.000 0.279 96 S C 0.680 175.237 174.600 -0.072 0.000 1.341 96 S CA -0.556 57.593 58.200 -0.085 0.000 1.043 96 S CB 0.463 63.603 63.200 -0.101 0.000 0.887 96 S HN 0.523 nan 8.310 nan 0.000 0.516 97 A N 4.325 127.086 122.820 -0.098 0.000 2.546 97 A HA 0.231 4.551 4.320 0.000 0.000 0.243 97 A C 0.549 178.108 177.584 -0.042 0.000 1.063 97 A CA -0.084 51.916 52.037 -0.062 0.000 0.757 97 A CB -0.265 18.690 19.000 -0.075 0.000 0.991 97 A HN 0.859 nan 8.150 nan 0.000 0.503 98 K N 2.253 122.624 120.400 -0.047 0.000 2.276 98 K HA 0.347 4.667 4.320 0.000 0.000 0.259 98 K C 0.364 176.875 176.600 -0.148 0.000 1.001 98 K CA 0.040 56.266 56.287 -0.102 0.000 0.927 98 K CB 0.464 32.911 32.500 -0.089 0.000 0.969 98 K HN 0.454 nan 8.250 nan 0.000 0.490 99 S N 0.004 115.500 115.700 -0.340 0.000 2.585 99 S HA 0.037 4.507 4.470 0.000 0.000 0.273 99 S C 0.798 175.233 174.600 -0.275 0.000 1.339 99 S CA -0.614 57.359 58.200 -0.379 0.000 1.028 99 S CB 0.597 63.192 63.200 -1.009 0.000 0.906 99 S HN 0.786 nan 8.310 nan 0.000 0.528 100 K N 2.017 122.263 120.400 -0.257 0.000 2.459 100 K HA 0.067 4.387 4.320 0.000 0.000 0.193 100 K C 0.158 176.495 176.600 -0.438 0.000 1.030 100 K CA 0.851 56.918 56.287 -0.367 0.000 1.026 100 K CB -0.236 31.978 32.500 -0.477 0.000 0.809 100 K HN 0.578 nan 8.250 nan 0.000 0.504 101 F N 1.720 121.601 119.950 -0.114 0.000 2.660 101 F HA 0.322 4.849 4.527 0.000 0.000 0.297 101 F C 0.886 176.656 175.800 -0.049 0.000 1.132 101 F CA -0.035 57.965 58.000 -0.001 0.000 1.372 101 F CB 0.697 39.809 39.000 0.187 0.000 1.003 101 F HN 0.260 nan 8.300 nan 0.000 0.524 102 G N 0.875 109.676 108.800 0.002 0.000 2.255 102 G HA2 -0.243 3.717 3.960 0.000 0.000 0.239 102 G HA3 -0.243 3.717 3.960 0.000 0.000 0.239 102 G C -0.579 174.382 174.900 0.100 0.000 1.083 102 G CA -0.015 45.107 45.100 0.036 0.000 0.826 102 G HN 0.617 nan 8.290 nan 0.000 0.493 103 Y N -2.884 117.379 120.300 -0.062 0.000 2.620 103 Y HA 0.697 5.248 4.550 0.000 0.000 0.331 103 Y C 0.176 176.052 175.900 -0.041 0.000 1.173 103 Y CA -0.915 57.143 58.100 -0.070 0.000 1.076 103 Y CB 0.433 38.817 38.460 -0.126 0.000 1.336 103 Y HN 0.892 nan 8.280 nan 0.000 0.459 104 G N 0.137 109.007 108.800 0.116 0.000 3.042 104 G HA2 0.579 4.539 3.960 0.000 0.000 0.278 104 G HA3 0.579 4.539 3.960 0.000 0.000 0.278 104 G C 0.208 175.136 174.900 0.047 0.000 1.371 104 G CA -0.757 44.346 45.100 0.005 0.000 1.009 104 G HN 1.296 nan 8.290 nan 0.000 0.523 105 A N -0.355 122.449 122.820 -0.027 0.000 1.940 105 A HA -0.060 4.260 4.320 0.000 0.000 0.219 105 A C 2.137 179.671 177.584 -0.084 0.000 1.176 105 A CA 2.324 54.322 52.037 -0.065 0.000 0.631 105 A CB -0.509 18.413 19.000 -0.130 0.000 0.814 105 A HN 0.628 nan 8.150 nan 0.000 0.446 106 K N -0.418 119.931 120.400 -0.084 0.000 2.026 106 K HA -0.221 4.099 4.320 0.000 0.000 0.208 106 K C 1.359 177.927 176.600 -0.052 0.000 1.048 106 K CA 1.815 58.049 56.287 -0.090 0.000 0.929 106 K CB -0.284 32.171 32.500 -0.075 0.000 0.713 106 K HN 0.401 nan 8.250 nan 0.000 0.439 107 D N 0.463 120.859 120.400 -0.007 0.000 2.123 107 D HA -0.149 4.491 4.640 0.000 0.000 0.196 107 D C 2.046 178.332 176.300 -0.024 0.000 0.992 107 D CA 1.117 55.117 54.000 0.000 0.000 0.833 107 D CB -0.319 40.514 40.800 0.055 0.000 0.954 107 D HN 0.073 nan 8.370 nan 0.000 0.455 108 V N 1.257 121.175 119.914 0.007 0.000 2.255 108 V HA -0.250 3.870 4.120 0.000 0.000 0.247 108 V C 2.497 178.550 176.094 -0.068 0.000 1.051 108 V CA 1.710 63.995 62.300 -0.024 0.000 1.018 108 V CB -0.409 31.427 31.823 0.020 0.000 0.641 108 V HN 0.142 nan 8.190 nan 0.000 0.445 109 R N 0.297 120.746 120.500 -0.085 0.000 2.120 109 R HA -0.104 4.236 4.340 0.000 0.000 0.234 109 R C 1.871 178.121 176.300 -0.083 0.000 1.123 109 R CA 1.405 57.442 56.100 -0.104 0.000 0.975 109 R CB -0.387 29.825 30.300 -0.146 0.000 0.866 109 R HN 0.489 nan 8.270 nan 0.000 0.446 110 N N 0.786 119.443 118.700 -0.072 0.000 2.521 110 N HA 0.041 4.781 4.740 0.000 0.000 0.188 110 N C 0.230 175.706 175.510 -0.056 0.000 1.146 110 N CA 0.357 53.372 53.050 -0.058 0.000 0.893 110 N CB 0.110 38.567 38.487 -0.049 0.000 0.975 110 N HN 0.135 nan 8.380 nan 0.000 0.451 111 L N 0.519 121.703 121.223 -0.066 0.000 3.717 111 L HA -0.236 4.104 4.340 0.000 0.000 0.414 111 L C 0.086 176.919 176.870 -0.062 0.000 1.228 111 L CA 0.002 54.800 54.840 -0.069 0.000 0.918 111 L CB -2.488 39.535 42.059 -0.060 0.000 1.865 111 L HN 0.165 nan 8.230 nan 0.000 0.922 112 S N -1.197 114.464 115.700 -0.065 0.000 2.568 112 S HA 0.242 4.712 4.470 0.000 0.000 0.282 112 S C 1.515 176.076 174.600 -0.065 0.000 1.338 112 S CA -0.093 58.073 58.200 -0.056 0.000 1.045 112 S CB 1.695 64.865 63.200 -0.051 0.000 0.873 112 S HN 0.483 nan 8.310 nan 0.000 0.516 113 S N 2.661 118.337 115.700 -0.040 0.000 2.370 113 S HA -0.261 4.209 4.470 0.000 0.000 0.226 113 S C 1.725 176.306 174.600 -0.030 0.000 1.033 113 S CA 1.325 59.510 58.200 -0.025 0.000 1.011 113 S CB -0.712 62.482 63.200 -0.010 0.000 0.852 113 S HN 0.861 nan 8.310 nan 0.000 0.457 114 K N 1.805 122.181 120.400 -0.039 0.000 1.991 114 K HA -0.070 4.250 4.320 0.000 0.000 0.212 114 K C 2.426 178.908 176.600 -0.196 0.000 1.049 114 K CA 1.340 57.608 56.287 -0.032 0.000 0.932 114 K CB -0.761 31.718 32.500 -0.036 0.000 0.717 114 K HN 0.432 nan 8.250 nan 0.000 0.441 115 A N 0.591 123.164 122.820 -0.412 0.000 1.883 115 A HA -0.134 4.186 4.320 0.000 0.000 0.217 115 A C 2.278 179.596 177.584 -0.443 0.000 1.186 115 A CA 1.876 53.420 52.037 -0.820 0.000 0.624 115 A CB -0.774 17.924 19.000 -0.503 0.000 0.822 115 A HN 0.208 nan 8.150 nan 0.000 0.444 116 V N 1.019 120.805 119.914 -0.214 0.000 2.343 116 V HA -0.269 3.851 4.120 0.000 0.000 0.247 116 V C 2.321 178.413 176.094 -0.004 0.000 1.051 116 V CA 2.116 64.344 62.300 -0.119 0.000 1.036 116 V CB -0.983 30.818 31.823 -0.038 0.000 0.654 116 V HN 0.558 nan 8.190 nan 0.000 0.451 117 N N -0.234 118.486 118.700 0.033 0.000 2.084 117 N HA -0.169 4.571 4.740 0.000 0.000 0.190 117 N C 1.797 177.314 175.510 0.011 0.000 1.030 117 N CA 1.691 54.782 53.050 0.067 0.000 0.849 117 N CB -0.461 38.040 38.487 0.024 0.000 1.012 117 N HN 0.584 nan 8.380 nan 0.000 0.423 118 H N 0.771 119.752 119.070 -0.148 0.000 2.387 118 H HA 0.095 4.651 4.556 0.000 0.000 0.299 118 H C 2.119 177.391 175.328 -0.093 0.000 1.090 118 H CA 0.921 56.885 56.048 -0.139 0.000 1.332 118 H CB -0.202 29.455 29.762 -0.174 0.000 1.386 118 H HN 0.191 nan 8.280 nan 0.000 0.516 119 I N -0.491 120.068 120.570 -0.019 0.000 2.226 119 I HA -0.290 3.880 4.170 0.000 0.000 0.245 119 I C 1.902 178.002 176.117 -0.028 0.000 1.100 119 I CA 1.457 62.729 61.300 -0.046 0.000 1.374 119 I CB -0.292 37.605 38.000 -0.172 0.000 1.057 119 I HN 0.362 nan 8.210 nan 0.000 0.413 120 H N -0.177 118.901 119.070 0.014 0.000 2.387 120 H HA -0.111 4.445 4.556 0.000 0.000 0.299 120 H C 2.549 177.928 175.328 0.085 0.000 1.090 120 H CA 1.647 57.728 56.048 0.056 0.000 1.332 120 H CB 0.105 29.869 29.762 0.003 0.000 1.386 120 H HN 0.189 nan 8.280 nan 0.000 0.516 121 S N -0.266 115.504 115.700 0.116 0.000 2.356 121 S HA -0.152 4.318 4.470 0.000 0.000 0.223 121 S C 2.428 177.046 174.600 0.030 0.000 1.032 121 S CA 1.149 59.362 58.200 0.022 0.000 1.005 121 S CB -0.304 62.833 63.200 -0.105 0.000 0.867 121 S HN 0.142 nan 8.310 nan 0.000 0.449 122 V N 1.312 121.248 119.914 0.037 0.000 2.287 122 V HA -0.213 3.907 4.120 0.000 0.000 0.248 122 V C 1.940 178.098 176.094 0.107 0.000 1.053 122 V CA 1.705 64.033 62.300 0.047 0.000 1.027 122 V CB -0.690 31.177 31.823 0.073 0.000 0.646 122 V HN 0.701 nan 8.190 nan 0.000 0.447 123 W N 1.182 122.470 121.300 -0.020 0.000 2.358 123 W HA -0.232 4.428 4.660 0.000 0.000 0.303 123 W C 2.546 179.066 176.519 0.003 0.000 1.208 123 W CA 2.282 59.623 57.345 -0.007 0.000 1.274 123 W CB -0.109 29.351 29.460 -0.001 0.000 1.138 123 W HN 0.250 nan 8.180 nan 0.000 0.515 124 K N 0.585 121.047 120.400 0.103 0.000 2.026 124 K HA -0.272 4.049 4.320 0.000 0.000 0.208 124 K C 1.743 178.286 176.600 -0.094 0.000 1.048 124 K CA 2.275 58.559 56.287 -0.006 0.000 0.929 124 K CB -0.643 31.887 32.500 0.050 0.000 0.713 124 K HN 0.007 nan 8.250 nan 0.000 0.439 125 D N 0.280 120.639 120.400 -0.067 0.000 2.144 125 D HA -0.140 4.500 4.640 0.000 0.000 0.199 125 D C 2.011 178.236 176.300 -0.125 0.000 0.984 125 D CA 0.853 54.806 54.000 -0.079 0.000 0.834 125 D CB 0.068 40.836 40.800 -0.053 0.000 0.955 125 D HN 0.212 nan 8.370 nan 0.000 0.465 126 L N -0.139 120.975 121.223 -0.181 0.000 2.046 126 L HA -0.141 4.199 4.340 0.000 0.000 0.208 126 L C 2.402 179.097 176.870 -0.291 0.000 1.077 126 L CA 0.757 55.451 54.840 -0.244 0.000 0.747 126 L CB -0.282 41.576 42.059 -0.335 0.000 0.896 126 L HN 0.232 nan 8.230 nan 0.000 0.432 127 L N -0.982 120.018 121.223 -0.372 0.000 2.156 127 L HA -0.153 4.187 4.340 0.000 0.000 0.208 127 L C 2.322 179.088 176.870 -0.173 0.000 1.095 127 L CA 1.082 55.737 54.840 -0.309 0.000 0.770 127 L CB -0.361 41.490 42.059 -0.348 0.000 0.914 127 L HN 0.297 nan 8.230 nan 0.000 0.439 128 E N -0.933 119.183 120.200 -0.139 0.000 2.190 128 E HA -0.066 4.284 4.350 0.000 0.000 0.191 128 E C 0.324 176.879 176.600 -0.074 0.000 0.978 128 E CA 0.292 56.639 56.400 -0.088 0.000 0.839 128 E CB 0.303 29.962 29.700 -0.068 0.000 0.787 128 E HN 0.194 nan 8.360 nan 0.000 0.473 129 D N 0.496 120.846 120.400 -0.082 0.000 2.425 129 D HA 0.054 4.695 4.640 0.000 0.000 0.240 129 D C -0.132 176.124 176.300 -0.074 0.000 1.080 129 D CA -0.262 53.700 54.000 -0.064 0.000 0.836 129 D CB 1.476 42.246 40.800 -0.051 0.000 1.125 129 D HN -0.032 nan 8.370 nan 0.000 0.525 130 T N 0.405 114.922 114.554 -0.061 0.000 3.228 130 T HA 0.250 4.600 4.350 0.000 0.000 0.278 130 T C 0.936 175.610 174.700 -0.043 0.000 1.014 130 T CA -0.160 61.903 62.100 -0.061 0.000 0.904 130 T CB 0.209 69.043 68.868 -0.056 0.000 1.110 130 T HN 0.142 nan 8.240 nan 0.000 0.541 131 V N 0.315 120.209 119.914 -0.035 0.000 3.029 131 V HA 0.187 4.307 4.120 0.000 0.000 0.230 131 V C 1.046 177.134 176.094 -0.011 0.000 1.254 131 V CA 0.337 62.625 62.300 -0.020 0.000 1.276 131 V CB -0.030 31.783 31.823 -0.017 0.000 1.080 131 V HN 0.456 nan 8.190 nan 0.000 0.495 132 T N 4.207 118.754 114.554 -0.011 0.000 2.822 132 T HA 0.113 4.463 4.350 0.000 0.000 0.288 132 T C -2.400 172.303 174.700 0.005 0.000 0.991 132 T CA -0.261 61.840 62.100 0.002 0.000 1.176 132 T CB 0.413 69.281 68.868 0.000 0.000 0.951 132 T HN 0.182 nan 8.240 nan 0.000 0.526 133 P HA 0.137 nan 4.420 nan 0.000 0.265 133 P C -0.186 177.118 177.300 0.008 0.000 1.193 133 P CA -0.001 63.117 63.100 0.031 0.000 0.765 133 P CB 0.314 32.072 31.700 0.097 0.000 0.823 134 I N 2.615 123.173 120.570 -0.020 0.000 2.365 134 I HA 0.154 4.324 4.170 0.000 0.000 0.291 134 I C 0.919 177.023 176.117 -0.022 0.000 1.004 134 I CA -0.522 60.771 61.300 -0.012 0.000 1.311 134 I CB 0.809 38.794 38.000 -0.025 0.000 1.401 134 I HN 0.293 nan 8.210 nan 0.000 0.491 135 D N 4.462 124.863 120.400 0.001 0.000 2.399 135 D HA 0.199 4.839 4.640 0.000 0.000 0.241 135 D C -0.297 175.969 176.300 -0.055 0.000 1.133 135 D CA 0.355 54.340 54.000 -0.024 0.000 0.890 135 D CB 0.855 41.653 40.800 -0.003 0.000 1.201 135 D HN 0.638 nan 8.370 nan 0.000 0.432 136 T N -1.054 113.437 114.554 -0.104 0.000 2.903 136 T HA 0.599 4.950 4.350 0.000 0.000 0.299 136 T C -0.468 174.083 174.700 -0.249 0.000 1.093 136 T CA -0.942 61.056 62.100 -0.170 0.000 1.002 136 T CB 1.498 70.286 68.868 -0.134 0.000 1.127 136 T HN 0.187 nan 8.240 nan 0.000 0.488 137 T N 2.272 116.527 114.554 -0.497 0.000 2.824 137 T HA 0.614 4.964 4.350 0.000 0.000 0.280 137 T C -0.500 173.923 174.700 -0.462 0.000 0.995 137 T CA -0.612 61.173 62.100 -0.525 0.000 1.009 137 T CB 0.800 69.193 68.868 -0.791 0.000 0.955 137 T HN 0.739 nan 8.240 nan 0.000 0.452 138 I N 4.234 124.703 120.570 -0.168 0.000 2.378 138 I HA 0.539 4.709 4.170 0.000 0.000 0.291 138 I C -1.029 175.112 176.117 0.040 0.000 0.992 138 I CA -0.775 60.514 61.300 -0.018 0.000 1.154 138 I CB 0.677 38.722 38.000 0.076 0.000 1.315 138 I HN 0.415 nan 8.210 nan 0.000 0.448 139 M N 6.175 125.847 119.600 0.120 0.000 2.619 139 M HA 0.542 5.022 4.480 0.000 0.000 0.297 139 M C -0.592 175.775 176.300 0.111 0.000 1.229 139 M CA -0.631 54.750 55.300 0.134 0.000 0.860 139 M CB 1.862 34.599 32.600 0.229 0.000 1.741 139 M HN 0.593 nan 8.290 nan 0.000 0.462 140 A N 1.889 124.756 122.820 0.079 0.000 2.301 140 A HA 0.545 4.865 4.320 0.000 0.000 0.298 140 A C -0.142 177.486 177.584 0.073 0.000 1.185 140 A CA -0.531 51.543 52.037 0.062 0.000 0.830 140 A CB 0.437 19.459 19.000 0.037 0.000 1.112 140 A HN 0.759 nan 8.150 nan 0.000 0.508 141 K N 1.555 122.000 120.400 0.075 0.000 2.237 141 K HA 0.152 4.472 4.320 0.000 0.000 0.270 141 K C -0.652 175.975 176.600 0.044 0.000 1.015 141 K CA 0.005 56.330 56.287 0.063 0.000 0.949 141 K CB 0.645 33.187 32.500 0.070 0.000 0.976 141 K HN 0.771 nan 8.250 nan 0.000 0.472 142 N N 2.481 121.188 118.700 0.013 0.000 2.609 142 N HA 0.107 4.847 4.740 0.000 0.000 0.234 142 N C -1.312 174.126 175.510 -0.121 0.000 1.001 142 N CA -0.313 52.719 53.050 -0.029 0.000 0.926 142 N CB 0.997 39.482 38.487 -0.003 0.000 1.130 142 N HN 0.376 nan 8.380 nan 0.000 0.510 143 E N 0.894 121.001 120.200 -0.154 0.000 2.256 143 E HA 0.444 4.794 4.350 0.000 0.000 0.267 143 E C -0.820 175.411 176.600 -0.615 0.000 0.892 143 E CA -0.977 55.219 56.400 -0.340 0.000 0.775 143 E CB 2.587 32.157 29.700 -0.215 0.000 1.207 143 E HN 0.074 nan 8.360 nan 0.000 0.420 144 V N 3.167 122.538 119.914 -0.906 0.000 2.472 144 V HA 0.497 4.617 4.120 0.000 0.000 0.290 144 V C -0.727 174.653 176.094 -1.189 0.000 1.037 144 V CA -0.214 61.489 62.300 -0.996 0.000 0.908 144 V CB 0.219 31.500 31.823 -0.903 0.000 0.985 144 V HN 0.530 nan 8.190 nan 0.000 0.454 145 F N 2.055 121.596 119.950 -0.681 0.000 2.715 145 F HA 0.603 5.130 4.527 0.000 0.000 0.318 145 F C -0.013 175.576 175.800 -0.351 0.000 1.141 145 F CA -0.715 57.008 58.000 -0.461 0.000 0.950 145 F CB 1.346 40.114 39.000 -0.387 0.000 1.374 145 F HN 0.560 nan 8.300 nan 0.000 0.477 146 C N 2.506 121.902 119.300 0.161 0.000 2.358 146 C HA 0.800 5.260 4.460 0.000 0.000 0.342 146 C C 0.076 175.273 174.990 0.344 0.000 1.234 146 C CA -0.728 58.415 59.018 0.208 0.000 1.969 146 C CB 0.174 27.988 27.740 0.123 0.000 2.346 146 C HN 0.755 nan 8.230 nan 0.000 0.525 147 V N 5.198 125.319 119.914 0.344 0.000 2.814 147 V HA 0.157 4.277 4.120 0.000 0.000 0.307 147 V C 0.366 176.530 176.094 0.117 0.000 1.089 147 V CA 0.168 62.594 62.300 0.210 0.000 1.212 147 V CB -0.142 31.727 31.823 0.077 0.000 0.912 147 V HN 0.970 nan 8.190 nan 0.000 0.497 148 Q N 5.700 125.537 119.800 0.060 0.000 2.369 148 Q HA 0.093 4.433 4.340 0.000 0.000 0.295 148 Q C -1.108 174.899 176.000 0.013 0.000 1.075 148 Q CA -0.418 55.398 55.803 0.023 0.000 0.941 148 Q CB 0.303 29.034 28.738 -0.012 0.000 1.260 148 Q HN 0.725 nan 8.270 nan 0.000 0.417 149 P HA -0.245 nan 4.420 nan 0.000 0.211 149 P C -0.398 176.899 177.300 -0.005 0.000 1.181 149 P CA 1.581 64.682 63.100 0.003 0.000 0.929 149 P CB -0.025 31.673 31.700 -0.002 0.000 0.789 150 E N 0.372 120.566 120.200 -0.010 0.000 2.422 150 E HA 0.040 4.390 4.350 0.000 0.000 0.260 150 E C 0.794 177.382 176.600 -0.019 0.000 1.108 150 E CA -0.290 56.101 56.400 -0.014 0.000 0.943 150 E CB -0.032 29.658 29.700 -0.017 0.000 0.961 150 E HN 0.097 nan 8.360 nan 0.000 0.443 151 K N 1.452 121.839 120.400 -0.022 0.000 2.773 151 K HA -0.028 4.292 4.320 0.000 0.000 0.222 151 K C 0.995 177.573 176.600 -0.036 0.000 0.985 151 K CA 0.431 56.701 56.287 -0.028 0.000 1.126 151 K CB -0.938 31.546 32.500 -0.027 0.000 0.919 151 K HN 0.731 nan 8.250 nan 0.000 0.487 152 G N 0.073 108.851 108.800 -0.036 0.000 2.679 152 G HA2 0.107 4.067 3.960 0.000 0.000 0.212 152 G HA3 0.107 4.067 3.960 0.000 0.000 0.212 152 G C 0.697 175.561 174.900 -0.060 0.000 1.137 152 G CA 0.352 45.427 45.100 -0.042 0.000 0.787 152 G HN 0.667 nan 8.290 nan 0.000 0.534 153 G N -0.304 108.452 108.800 -0.073 0.000 2.475 153 G HA2 -0.152 3.809 3.960 0.000 0.000 0.223 153 G HA3 -0.152 3.809 3.960 0.000 0.000 0.223 153 G C -0.267 174.532 174.900 -0.168 0.000 1.201 153 G CA -0.364 44.665 45.100 -0.118 0.000 0.962 153 G HN 0.637 nan 8.290 nan 0.000 0.586 154 R N 0.133 120.488 120.500 -0.241 0.000 2.832 154 R HA 0.611 4.951 4.340 0.000 0.000 0.271 154 R C -0.432 175.789 176.300 -0.132 0.000 0.996 154 R CA -0.952 54.947 56.100 -0.335 0.000 0.977 154 R CB 1.625 31.442 30.300 -0.805 0.000 1.168 154 R HN 0.477 nan 8.270 nan 0.000 0.482 155 K N 1.760 122.149 120.400 -0.019 0.000 2.205 155 K HA 0.273 4.593 4.320 0.000 0.000 0.279 155 K C -2.289 174.310 176.600 -0.002 0.000 1.027 155 K CA -1.613 54.627 56.287 -0.078 0.000 0.932 155 K CB 0.633 32.958 32.500 -0.292 0.000 1.032 155 K HN 0.241 nan 8.250 nan 0.000 0.466 156 P HA -0.006 nan 4.420 nan 0.000 0.272 156 P C -0.993 176.329 177.300 0.036 0.000 1.230 156 P CA -0.291 62.811 63.100 0.004 0.000 0.788 156 P CB 0.639 32.329 31.700 -0.017 0.000 0.949 157 A N 2.917 125.769 122.820 0.052 0.000 2.477 157 A HA 0.177 4.497 4.320 0.000 0.000 0.246 157 A C 0.445 178.065 177.584 0.060 0.000 1.078 157 A CA -0.074 52.008 52.037 0.075 0.000 0.770 157 A CB -0.162 18.876 19.000 0.064 0.000 1.011 157 A HN 0.457 nan 8.150 nan 0.000 0.494 158 R N 0.575 121.128 120.500 0.088 0.000 2.615 158 R HA 0.498 4.838 4.340 0.000 0.000 0.270 158 R C -0.760 175.590 176.300 0.084 0.000 1.081 158 R CA -0.257 55.896 56.100 0.089 0.000 1.154 158 R CB 0.476 30.846 30.300 0.117 0.000 1.063 158 R HN 0.668 nan 8.270 nan 0.000 0.519 159 L N 2.365 123.643 121.223 0.090 0.000 2.317 159 L HA 0.495 4.835 4.340 0.000 0.000 0.281 159 L C -0.520 176.438 176.870 0.146 0.000 1.024 159 L CA -0.962 53.936 54.840 0.097 0.000 0.810 159 L CB 1.512 43.608 42.059 0.062 0.000 1.240 159 L HN 0.434 nan 8.230 nan 0.000 0.427 160 I N 2.960 123.634 120.570 0.174 0.000 2.404 160 I HA 0.497 4.668 4.170 0.000 0.000 0.293 160 I C -0.768 175.519 176.117 0.284 0.000 0.992 160 I CA -0.340 61.103 61.300 0.237 0.000 1.149 160 I CB 1.851 39.999 38.000 0.246 0.000 1.315 160 I HN 0.206 nan 8.210 nan 0.000 0.446 161 V N 8.883 128.963 119.914 0.277 0.000 2.444 161 V HA 0.584 4.704 4.120 0.000 0.000 0.294 161 V C -0.748 175.493 176.094 0.246 0.000 1.022 161 V CA -0.491 61.913 62.300 0.173 0.000 0.850 161 V CB 1.016 32.928 31.823 0.149 0.000 0.992 161 V HN 0.598 nan 8.190 nan 0.000 0.426 162 F N 4.869 124.866 119.950 0.079 0.000 2.631 162 F HA 0.951 5.478 4.527 0.000 0.000 0.308 162 F C -3.066 172.773 175.800 0.066 0.000 1.097 162 F CA -2.545 55.501 58.000 0.078 0.000 0.952 162 F CB 1.846 40.887 39.000 0.068 0.000 1.307 162 F HN 0.296 nan 8.300 nan 0.000 0.450 163 P HA 0.198 nan 4.420 nan 0.000 0.280 163 P C -1.118 176.312 177.300 0.217 0.000 1.272 163 P CA -0.177 62.996 63.100 0.121 0.000 0.819 163 P CB 1.433 33.208 31.700 0.125 0.000 1.122 164 D N -0.582 119.915 120.400 0.162 0.000 2.390 164 D HA -0.081 4.559 4.640 0.000 0.000 0.236 164 D C 1.392 177.801 176.300 0.182 0.000 1.189 164 D CA -0.249 53.862 54.000 0.186 0.000 0.887 164 D CB 0.302 41.243 40.800 0.236 0.000 1.198 164 D HN 0.102 nan 8.370 nan 0.000 0.444 165 L N 3.397 124.697 121.223 0.128 0.000 2.021 165 L HA -0.046 4.294 4.340 0.000 0.000 0.215 165 L C 2.079 179.042 176.870 0.156 0.000 1.074 165 L CA 2.649 57.547 54.840 0.096 0.000 0.760 165 L CB -1.194 40.861 42.059 -0.007 0.000 0.889 165 L HN 0.679 nan 8.230 nan 0.000 0.433 166 G N -1.244 107.687 108.800 0.218 0.000 2.440 166 G HA2 -0.228 3.732 3.960 0.000 0.000 0.218 166 G HA3 -0.228 3.732 3.960 0.000 0.000 0.218 166 G C 1.553 176.556 174.900 0.172 0.000 1.154 166 G CA 1.156 46.411 45.100 0.258 0.000 0.767 166 G HN 0.371 nan 8.290 nan 0.000 0.552 167 V N 0.715 120.726 119.914 0.161 0.000 2.427 167 V HA -0.151 3.970 4.120 0.000 0.000 0.248 167 V C 2.921 179.100 176.094 0.143 0.000 1.051 167 V CA 1.859 64.242 62.300 0.138 0.000 1.048 167 V CB -0.438 31.458 31.823 0.121 0.000 0.666 167 V HN 0.341 nan 8.190 nan 0.000 0.456 168 R N -0.363 120.223 120.500 0.143 0.000 2.096 168 R HA -0.115 4.225 4.340 0.000 0.000 0.235 168 R C 2.212 178.572 176.300 0.099 0.000 1.127 168 R CA 1.358 57.536 56.100 0.129 0.000 0.968 168 R CB -0.573 29.793 30.300 0.111 0.000 0.861 168 R HN 0.423 nan 8.270 nan 0.000 0.440 169 V N 0.425 120.388 119.914 0.083 0.000 2.358 169 V HA -0.281 3.839 4.120 0.000 0.000 0.246 169 V C 2.482 178.600 176.094 0.039 0.000 1.047 169 V CA 1.561 63.880 62.300 0.031 0.000 1.035 169 V CB -0.428 31.401 31.823 0.010 0.000 0.658 169 V HN 0.441 nan 8.190 nan 0.000 0.452 170 C N -0.211 119.158 119.300 0.115 0.000 2.425 170 C HA -0.129 4.331 4.460 0.000 0.000 0.277 170 C C 2.648 177.795 174.990 0.261 0.000 1.280 170 C CA 0.727 59.886 59.018 0.235 0.000 1.744 170 C CB -1.008 26.969 27.740 0.396 0.000 1.989 170 C HN 0.613 nan 8.230 nan 0.000 0.491 171 E N 0.965 121.288 120.200 0.204 0.000 2.058 171 E HA -0.223 4.128 4.350 0.000 0.000 0.194 171 E C 2.182 178.896 176.600 0.189 0.000 0.997 171 E CA 1.225 57.757 56.400 0.219 0.000 0.801 171 E CB -0.136 29.701 29.700 0.228 0.000 0.746 171 E HN 0.654 nan 8.360 nan 0.000 0.450 172 K N 0.295 120.774 120.400 0.131 0.000 2.026 172 K HA -0.126 4.194 4.320 0.000 0.000 0.208 172 K C 2.256 178.907 176.600 0.086 0.000 1.048 172 K CA 1.433 57.786 56.287 0.110 0.000 0.929 172 K CB -0.185 32.305 32.500 -0.017 0.000 0.713 172 K HN 0.159 nan 8.250 nan 0.000 0.439 173 M N 0.549 120.149 119.600 0.000 0.000 2.080 173 M HA -0.172 4.308 4.480 0.000 0.000 0.260 173 M C 2.534 178.857 176.300 0.038 0.000 1.068 173 M CA 1.808 57.045 55.300 -0.105 0.000 1.109 173 M CB -0.517 31.823 32.600 -0.433 0.000 1.342 173 M HN 0.225 nan 8.290 nan 0.000 0.405 174 A N -0.231 122.719 122.820 0.216 0.000 1.930 174 A HA 0.033 4.353 4.320 0.000 0.000 0.215 174 A C 1.899 179.581 177.584 0.163 0.000 1.176 174 A CA 1.213 53.430 52.037 0.300 0.000 0.632 174 A CB -0.263 18.975 19.000 0.397 0.000 0.819 174 A HN 0.493 nan 8.150 nan 0.000 0.445 175 L N -3.093 118.210 121.223 0.134 0.000 2.920 175 L HA 0.196 4.536 4.340 0.000 0.000 0.257 175 L C 1.845 178.743 176.870 0.047 0.000 1.150 175 L CA -0.017 54.845 54.840 0.037 0.000 0.959 175 L CB -0.000 42.040 42.059 -0.032 0.000 1.321 175 L HN 0.430 nan 8.230 nan 0.000 0.555 176 Y N 1.689 121.999 120.300 0.017 0.000 2.069 176 Y HA -0.386 4.164 4.550 0.000 0.000 0.278 176 Y C 2.280 178.205 175.900 0.041 0.000 1.175 176 Y CA 2.382 60.505 58.100 0.039 0.000 1.134 176 Y CB -0.008 38.464 38.460 0.019 0.000 0.965 176 Y HN 0.248 nan 8.280 nan 0.000 0.498 177 D N -0.768 119.663 120.400 0.050 0.000 2.144 177 D HA -0.168 4.472 4.640 0.000 0.000 0.199 177 D C 2.209 178.445 176.300 -0.106 0.000 0.984 177 D CA 1.499 55.478 54.000 -0.035 0.000 0.834 177 D CB -0.252 40.574 40.800 0.044 0.000 0.955 177 D HN 0.268 nan 8.370 nan 0.000 0.465 178 V N 0.525 120.379 119.914 -0.099 0.000 2.237 178 V HA -0.239 3.881 4.120 0.000 0.000 0.245 178 V C 2.734 178.713 176.094 -0.192 0.000 1.046 178 V CA 1.892 64.109 62.300 -0.137 0.000 1.007 178 V CB -0.833 30.875 31.823 -0.191 0.000 0.638 178 V HN 0.331 nan 8.190 nan 0.000 0.445 179 V N -2.256 117.518 119.914 -0.234 0.000 2.913 179 V HA -0.118 4.002 4.120 0.000 0.000 0.260 179 V C 2.042 177.983 176.094 -0.255 0.000 1.098 179 V CA 2.138 64.295 62.300 -0.238 0.000 1.121 179 V CB -0.545 31.157 31.823 -0.201 0.000 0.714 179 V HN 0.462 nan 8.190 nan 0.000 0.487 180 S N 0.842 116.386 115.700 -0.260 0.000 2.458 180 S HA -0.031 4.440 4.470 0.000 0.000 0.223 180 S C 1.935 176.445 174.600 -0.151 0.000 1.019 180 S CA 1.407 59.478 58.200 -0.215 0.000 0.937 180 S CB 0.049 63.064 63.200 -0.308 0.000 0.788 180 S HN 0.947 nan 8.310 nan 0.000 0.511 181 T N -0.957 113.503 114.554 -0.156 0.000 2.987 181 T HA 0.232 4.582 4.350 0.000 0.000 0.248 181 T C 1.631 176.234 174.700 -0.162 0.000 0.997 181 T CA -0.055 61.968 62.100 -0.127 0.000 1.013 181 T CB -0.490 68.329 68.868 -0.082 0.000 1.077 181 T HN 0.126 nan 8.240 nan 0.000 0.483 182 L N 2.750 123.874 121.223 -0.164 0.000 2.012 182 L HA 0.195 4.535 4.340 0.000 0.000 0.210 182 L C -0.944 175.770 176.870 -0.259 0.000 1.073 182 L CA 1.922 56.670 54.840 -0.155 0.000 0.748 182 L CB -1.206 40.808 42.059 -0.075 0.000 0.891 182 L HN 0.119 nan 8.230 nan 0.000 0.431 183 P HA -0.250 nan 4.420 nan 0.000 0.215 183 P C 1.559 178.414 177.300 -0.742 0.000 1.163 183 P CA 1.607 64.266 63.100 -0.734 0.000 0.894 183 P CB -0.162 30.745 31.700 -1.321 0.000 0.791 184 Q N -0.320 119.097 119.800 -0.639 0.000 2.124 184 Q HA -0.119 4.222 4.340 0.000 0.000 0.202 184 Q C 2.006 177.881 176.000 -0.209 0.000 0.977 184 Q CA 1.464 57.083 55.803 -0.306 0.000 0.850 184 Q CB -0.596 28.063 28.738 -0.130 0.000 0.901 184 Q HN 0.086 nan 8.270 nan 0.000 0.429 185 V N -0.062 119.735 119.914 -0.194 0.000 2.307 185 V HA -0.227 3.893 4.120 0.000 0.000 0.245 185 V C 2.479 178.488 176.094 -0.141 0.000 1.045 185 V CA 1.455 63.676 62.300 -0.132 0.000 1.024 185 V CB -0.573 31.188 31.823 -0.103 0.000 0.651 185 V HN 0.137 nan 8.190 nan 0.000 0.449 186 V N -0.536 119.263 119.914 -0.191 0.000 2.307 186 V HA -0.259 3.862 4.120 0.000 0.000 0.245 186 V C 2.158 178.086 176.094 -0.277 0.000 1.045 186 V CA 2.399 64.579 62.300 -0.201 0.000 1.024 186 V CB -0.491 31.199 31.823 -0.222 0.000 0.651 186 V HN 0.472 nan 8.190 nan 0.000 0.449 187 M N -1.348 118.014 119.600 -0.395 0.000 2.465 187 M HA 0.342 4.822 4.480 0.000 0.000 0.249 187 M C 1.445 177.638 176.300 -0.177 0.000 1.130 187 M CA 0.821 55.812 55.300 -0.516 0.000 1.067 187 M CB 0.318 32.470 32.600 -0.746 0.000 1.394 187 M HN 0.504 nan 8.290 nan 0.000 0.483 188 G N 1.493 110.219 108.800 -0.124 0.000 2.556 188 G HA2 -0.379 3.581 3.960 0.000 0.000 0.283 188 G HA3 -0.379 3.581 3.960 0.000 0.000 0.283 188 G C 0.776 175.653 174.900 -0.038 0.000 1.177 188 G CA 0.673 45.744 45.100 -0.048 0.000 0.978 188 G HN 0.514 nan 8.290 nan 0.000 0.554 189 S N -0.454 115.247 115.700 0.003 0.000 2.507 189 S HA 0.122 4.592 4.470 0.000 0.000 0.235 189 S C 2.153 176.697 174.600 -0.094 0.000 0.988 189 S CA 1.894 60.057 58.200 -0.060 0.000 0.944 189 S CB -0.051 63.186 63.200 0.061 0.000 0.762 189 S HN 1.082 nan 8.310 nan 0.000 0.526 190 S N 0.184 115.923 115.700 0.064 0.000 2.489 190 S HA 0.135 4.605 4.470 0.000 0.000 0.228 190 S C 0.193 174.844 174.600 0.085 0.000 0.995 190 S CA -0.142 58.145 58.200 0.145 0.000 0.934 190 S CB -0.398 62.998 63.200 0.328 0.000 0.771 190 S HN 0.709 nan 8.310 nan 0.000 0.522 191 Y N 2.839 123.051 120.300 -0.146 0.000 2.531 191 Y HA 0.466 5.016 4.550 0.000 0.000 0.347 191 Y C 1.228 176.976 175.900 -0.253 0.000 1.024 191 Y CA -1.267 56.719 58.100 -0.191 0.000 1.306 191 Y CB 0.191 38.529 38.460 -0.203 0.000 1.149 191 Y HN 0.049 nan 8.280 nan 0.000 0.527 192 G N 4.530 112.922 108.800 -0.680 0.000 2.464 192 G HA2 -0.209 3.751 3.960 0.000 0.000 0.217 192 G HA3 -0.209 3.751 3.960 0.000 0.000 0.217 192 G C 1.080 175.520 174.900 -0.766 0.000 1.138 192 G CA 0.049 44.794 45.100 -0.593 0.000 0.793 192 G HN 0.697 nan 8.290 nan 0.000 0.539 193 F N 1.334 120.676 119.950 -1.013 0.000 2.771 193 F HA 0.022 4.549 4.527 0.000 0.000 0.299 193 F C 2.819 178.480 175.800 -0.233 0.000 1.177 193 F CA 0.956 58.491 58.000 -0.775 0.000 1.450 193 F CB 0.119 38.616 39.000 -0.838 0.000 1.114 193 F HN 0.305 nan 8.300 nan 0.000 0.587 194 Q N -0.293 119.334 119.800 -0.289 0.000 2.451 194 Q HA -0.029 4.311 4.340 0.000 0.000 0.206 194 Q C -0.527 175.343 176.000 -0.218 0.000 0.947 194 Q CA 0.533 56.221 55.803 -0.191 0.000 0.937 194 Q CB -0.259 28.251 28.738 -0.381 0.000 1.025 194 Q HN 0.409 nan 8.270 nan 0.000 0.511 195 Y N 1.685 122.013 120.300 0.046 0.000 2.342 195 Y HA 0.311 4.861 4.550 0.000 0.000 0.334 195 Y C 0.647 176.435 175.900 -0.186 0.000 1.067 195 Y CA -1.011 57.056 58.100 -0.055 0.000 1.128 195 Y CB 1.539 39.918 38.460 -0.134 0.000 1.200 195 Y HN 0.089 nan 8.280 nan 0.000 0.464 196 S N 2.171 117.664 115.700 -0.346 0.000 2.655 196 S HA 0.281 4.751 4.470 0.000 0.000 0.265 196 S C -2.093 172.143 174.600 -0.607 0.000 1.240 196 S CA -1.140 56.328 58.200 -1.219 0.000 0.986 196 S CB 1.369 63.987 63.200 -0.970 0.000 0.985 196 S HN 0.407 nan 8.310 nan 0.000 0.562 197 P HA 0.016 nan 4.420 nan 0.000 0.215 197 P C 1.745 178.936 177.300 -0.182 0.000 1.157 197 P CA 1.729 64.654 63.100 -0.292 0.000 0.868 197 P CB -0.556 30.992 31.700 -0.254 0.000 0.788 198 G N -0.447 108.210 108.800 -0.238 0.000 2.422 198 G HA2 -0.271 3.689 3.960 0.000 0.000 0.218 198 G HA3 -0.271 3.689 3.960 0.000 0.000 0.218 198 G C 1.519 176.362 174.900 -0.095 0.000 1.146 198 G CA 0.596 45.631 45.100 -0.110 0.000 0.769 198 G HN 0.323 nan 8.290 nan 0.000 0.547 199 Q N -0.630 119.095 119.800 -0.124 0.000 2.172 199 Q HA 0.047 4.387 4.340 0.000 0.000 0.200 199 Q C 2.589 178.473 176.000 -0.193 0.000 0.964 199 Q CA 0.736 56.495 55.803 -0.072 0.000 0.855 199 Q CB -0.087 28.688 28.738 0.061 0.000 0.918 199 Q HN 0.452 nan 8.270 nan 0.000 0.444 200 R N 0.345 120.733 120.500 -0.187 0.000 2.075 200 R HA -0.114 4.226 4.340 0.000 0.000 0.232 200 R C 2.225 178.429 176.300 -0.160 0.000 1.126 200 R CA 1.136 57.088 56.100 -0.248 0.000 0.963 200 R CB -0.314 29.921 30.300 -0.109 0.000 0.858 200 R HN 0.186 nan 8.270 nan 0.000 0.435 201 V N 1.271 121.124 119.914 -0.101 0.000 2.427 201 V HA -0.205 3.915 4.120 0.000 0.000 0.248 201 V C 2.113 178.138 176.094 -0.116 0.000 1.051 201 V CA 2.365 64.613 62.300 -0.086 0.000 1.048 201 V CB -0.279 31.535 31.823 -0.015 0.000 0.666 201 V HN 0.513 nan 8.190 nan 0.000 0.456 202 E N -0.796 119.350 120.200 -0.090 0.000 2.077 202 E HA -0.284 4.066 4.350 0.000 0.000 0.193 202 E C 2.099 178.640 176.600 -0.098 0.000 0.989 202 E CA 1.927 58.279 56.400 -0.080 0.000 0.800 202 E CB -0.420 29.258 29.700 -0.036 0.000 0.746 202 E HN 0.706 nan 8.360 nan 0.000 0.452 203 F N 1.000 120.775 119.950 -0.291 0.000 2.102 203 F HA -0.156 4.371 4.527 0.000 0.000 0.298 203 F C 1.981 177.646 175.800 -0.226 0.000 1.105 203 F CA 1.224 59.034 58.000 -0.316 0.000 1.239 203 F CB -0.007 38.614 39.000 -0.631 0.000 0.991 203 F HN 0.005 nan 8.300 nan 0.000 0.474 204 L N -0.607 120.468 121.223 -0.246 0.000 2.017 204 L HA -0.230 4.110 4.340 0.000 0.000 0.208 204 L C 2.329 179.040 176.870 -0.266 0.000 1.073 204 L CA 1.036 55.713 54.840 -0.272 0.000 0.745 204 L CB -0.842 41.107 42.059 -0.184 0.000 0.894 204 L HN 0.025 nan 8.230 nan 0.000 0.432 205 V N -0.021 119.721 119.914 -0.287 0.000 2.295 205 V HA -0.256 3.864 4.120 0.000 0.000 0.246 205 V C 2.232 178.202 176.094 -0.206 0.000 1.049 205 V CA 1.839 63.944 62.300 -0.324 0.000 1.024 205 V CB -0.677 30.816 31.823 -0.550 0.000 0.648 205 V HN 0.475 nan 8.190 nan 0.000 0.447 206 N N 0.107 118.678 118.700 -0.216 0.000 2.166 206 N HA -0.139 4.602 4.740 0.000 0.000 0.186 206 N C 1.909 177.299 175.510 -0.200 0.000 1.019 206 N CA 1.947 54.895 53.050 -0.170 0.000 0.856 206 N CB -0.603 37.800 38.487 -0.140 0.000 0.993 206 N HN 0.460 nan 8.380 nan 0.000 0.426 207 T N 0.542 114.895 114.554 -0.335 0.000 2.746 207 T HA -0.138 4.212 4.350 0.000 0.000 0.267 207 T C 1.493 176.096 174.700 -0.162 0.000 1.039 207 T CA 0.643 62.536 62.100 -0.346 0.000 1.142 207 T CB -0.192 68.319 68.868 -0.595 0.000 0.866 207 T HN 0.434 nan 8.240 nan 0.000 0.444 208 W N 2.248 123.379 121.300 -0.282 0.000 2.358 208 W HA -0.073 4.587 4.660 0.000 0.000 0.303 208 W C 1.782 178.207 176.519 -0.156 0.000 1.208 208 W CA 1.116 58.338 57.345 -0.205 0.000 1.274 208 W CB -0.160 29.174 29.460 -0.209 0.000 1.138 208 W HN 0.248 nan 8.180 nan 0.000 0.515 209 K N 0.310 120.714 120.400 0.007 0.000 2.283 209 K HA -0.125 4.195 4.320 0.000 0.000 0.202 209 K C 2.134 178.668 176.600 -0.110 0.000 1.048 209 K CA 1.558 57.816 56.287 -0.048 0.000 0.948 209 K CB -0.270 32.218 32.500 -0.019 0.000 0.742 209 K HN 0.064 nan 8.250 nan 0.000 0.458 210 S N 0.580 116.201 115.700 -0.131 0.000 2.481 210 S HA -0.007 4.463 4.470 0.000 0.000 0.231 210 S C 0.579 175.092 174.600 -0.146 0.000 0.996 210 S CA 0.362 58.489 58.200 -0.122 0.000 0.942 210 S CB 0.037 63.166 63.200 -0.118 0.000 0.768 210 S HN -0.029 nan 8.310 nan 0.000 0.520 211 K N 1.739 122.008 120.400 -0.218 0.000 2.143 211 K HA 0.329 4.649 4.320 0.000 0.000 0.272 211 K C 0.746 177.218 176.600 -0.214 0.000 1.001 211 K CA -0.460 55.687 56.287 -0.233 0.000 0.915 211 K CB 1.422 33.718 32.500 -0.339 0.000 1.047 211 K HN 0.142 nan 8.250 nan 0.000 0.458 212 K N 1.522 121.829 120.400 -0.154 0.000 2.001 212 K HA -0.053 4.267 4.320 0.000 0.000 0.208 212 K C -0.154 176.364 176.600 -0.137 0.000 1.048 212 K CA 1.192 57.407 56.287 -0.119 0.000 0.932 212 K CB 0.277 32.729 32.500 -0.081 0.000 0.715 212 K HN 0.442 nan 8.250 nan 0.000 0.437 213 N N 1.983 120.593 118.700 -0.150 0.000 2.804 213 N HA 0.230 4.970 4.740 0.000 0.000 0.251 213 N C -2.796 172.584 175.510 -0.216 0.000 1.250 213 N CA -1.228 51.740 53.050 -0.135 0.000 0.820 213 N CB 1.701 40.150 38.487 -0.065 0.000 1.156 213 N HN 0.185 nan 8.380 nan 0.000 0.512 214 P HA 0.093 nan 4.420 nan 0.000 0.268 214 P C -0.250 176.683 177.300 -0.612 0.000 1.205 214 P CA -0.148 62.456 63.100 -0.827 0.000 0.771 214 P CB 1.178 31.752 31.700 -1.876 0.000 0.858 215 M N 2.344 121.667 119.600 -0.461 0.000 2.433 215 M HA 0.645 5.125 4.480 0.000 0.000 0.290 215 M C -1.297 174.965 176.300 -0.064 0.000 1.173 215 M CA -0.295 54.850 55.300 -0.258 0.000 0.905 215 M CB 2.491 34.993 32.600 -0.163 0.000 1.692 215 M HN 0.597 nan 8.290 nan 0.000 0.462 216 G N 3.712 112.569 108.800 0.095 0.000 2.690 216 G HA2 0.829 4.789 3.960 0.000 0.000 0.293 216 G HA3 0.829 4.789 3.960 0.000 0.000 0.293 216 G C -2.067 172.916 174.900 0.139 0.000 1.399 216 G CA -0.617 44.570 45.100 0.144 0.000 0.890 216 G HN 0.858 nan 8.290 nan 0.000 0.485 217 F N -0.430 119.477 119.950 -0.071 0.000 2.678 217 F HA 0.788 5.315 4.527 0.000 0.000 0.308 217 F C -0.317 175.455 175.800 -0.047 0.000 1.118 217 F CA -1.357 56.595 58.000 -0.079 0.000 0.959 217 F CB 1.298 40.228 39.000 -0.116 0.000 1.305 217 F HN 0.671 nan 8.300 nan 0.000 0.443 218 S N 1.296 117.060 115.700 0.107 0.000 2.565 218 S HA 0.665 5.135 4.470 0.000 0.000 0.290 218 S C -1.593 173.183 174.600 0.293 0.000 1.150 218 S CA -0.605 57.637 58.200 0.071 0.000 1.058 218 S CB 1.746 64.972 63.200 0.043 0.000 1.032 218 S HN 0.908 nan 8.310 nan 0.000 0.510 219 Y N 1.424 121.815 120.300 0.152 0.000 2.338 219 Y HA 0.434 4.984 4.550 0.000 0.000 0.328 219 Y C -1.020 174.997 175.900 0.196 0.000 0.965 219 Y CA -0.878 57.380 58.100 0.263 0.000 1.208 219 Y CB 1.270 39.992 38.460 0.437 0.000 1.132 219 Y HN 0.868 nan 8.280 nan 0.000 0.469 220 D N 4.305 124.554 120.400 -0.251 0.000 2.347 220 D HA 0.225 4.865 4.640 0.000 0.000 0.235 220 D C -0.719 175.419 176.300 -0.271 0.000 1.149 220 D CA 0.011 53.915 54.000 -0.160 0.000 0.850 220 D CB 1.038 41.782 40.800 -0.094 0.000 1.061 220 D HN 0.470 nan 8.370 nan 0.000 0.487 221 T N 3.961 118.523 114.554 0.014 0.000 2.817 221 T HA 0.180 4.530 4.350 0.000 0.000 0.293 221 T C 0.400 175.188 174.700 0.146 0.000 0.964 221 T CA -0.544 61.650 62.100 0.157 0.000 1.085 221 T CB 0.749 69.936 68.868 0.531 0.000 0.921 221 T HN 0.307 nan 8.240 nan 0.000 0.502 222 R N 2.111 122.661 120.500 0.085 0.000 2.370 222 R HA 0.159 4.499 4.340 0.000 0.000 0.309 222 R C -0.145 176.255 176.300 0.166 0.000 1.059 222 R CA -0.264 55.882 56.100 0.076 0.000 0.981 222 R CB -0.466 29.828 30.300 -0.009 0.000 0.972 222 R HN 0.943 nan 8.270 nan 0.000 0.437 223 C N 5.661 125.087 119.300 0.210 0.000 3.563 223 C HA -0.168 4.292 4.460 0.000 0.000 0.284 223 C C 1.388 176.582 174.990 0.340 0.000 1.356 223 C CA 0.177 59.371 59.018 0.293 0.000 2.166 223 C CB -3.008 24.962 27.740 0.383 0.000 1.399 223 C HN 1.025 nan 8.230 nan 0.000 0.583 224 F N 1.959 122.025 119.950 0.194 0.000 2.087 224 F HA -0.216 4.311 4.527 0.000 0.000 0.299 224 F C 1.945 177.858 175.800 0.188 0.000 1.100 224 F CA 2.495 60.610 58.000 0.192 0.000 1.226 224 F CB -0.029 39.072 39.000 0.169 0.000 0.983 224 F HN 0.450 nan 8.300 nan 0.000 0.479 225 D N -0.469 120.164 120.400 0.389 0.000 2.149 225 D HA -0.167 4.473 4.640 0.000 0.000 0.198 225 D C 2.470 178.832 176.300 0.104 0.000 0.990 225 D CA 1.641 55.795 54.000 0.257 0.000 0.839 225 D CB -0.511 40.453 40.800 0.272 0.000 0.948 225 D HN 0.254 nan 8.370 nan 0.000 0.460 226 S N -0.586 115.198 115.700 0.140 0.000 2.428 226 S HA -0.106 4.364 4.470 0.000 0.000 0.230 226 S C 2.035 176.608 174.600 -0.045 0.000 1.014 226 S CA 1.412 59.609 58.200 -0.005 0.000 0.957 226 S CB -0.231 62.966 63.200 -0.006 0.000 0.784 226 S HN 0.537 nan 8.310 nan 0.000 0.499 227 T N -0.352 114.254 114.554 0.086 0.000 3.085 227 T HA 0.109 4.459 4.350 0.000 0.000 0.263 227 T C 0.609 175.244 174.700 -0.109 0.000 1.127 227 T CA 0.081 62.218 62.100 0.062 0.000 1.103 227 T CB -0.424 68.447 68.868 0.006 0.000 0.921 227 T HN 0.034 nan 8.240 nan 0.000 0.510 228 V N 4.114 123.919 119.914 -0.181 0.000 2.446 228 V HA 0.284 4.404 4.120 0.000 0.000 0.276 228 V C 1.222 177.265 176.094 -0.085 0.000 1.030 228 V CA -0.168 62.045 62.300 -0.146 0.000 1.033 228 V CB -0.150 31.618 31.823 -0.091 0.000 0.993 228 V HN 0.727 nan 8.190 nan 0.000 0.477 229 T N 1.502 116.021 114.554 -0.058 0.000 2.849 229 T HA 0.341 4.691 4.350 0.000 0.000 0.276 229 T C 0.970 175.653 174.700 -0.029 0.000 0.971 229 T CA -0.563 61.509 62.100 -0.047 0.000 0.949 229 T CB 1.210 70.057 68.868 -0.035 0.000 1.093 229 T HN 0.530 nan 8.240 nan 0.000 0.545 230 E N 0.283 120.467 120.200 -0.027 0.000 2.110 230 E HA -0.096 4.254 4.350 0.000 0.000 0.193 230 E C 2.066 178.666 176.600 0.000 0.000 0.988 230 E CA 1.417 57.812 56.400 -0.009 0.000 0.804 230 E CB -0.430 29.264 29.700 -0.010 0.000 0.745 230 E HN 0.803 nan 8.360 nan 0.000 0.458 231 N N 0.646 119.341 118.700 -0.008 0.000 2.084 231 N HA -0.192 4.548 4.740 0.000 0.000 0.190 231 N C 1.216 176.737 175.510 0.018 0.000 1.030 231 N CA 1.752 54.802 53.050 -0.001 0.000 0.849 231 N CB -0.032 38.443 38.487 -0.022 0.000 1.012 231 N HN -0.014 nan 8.380 nan 0.000 0.423 232 D N 0.208 120.618 120.400 0.018 0.000 2.133 232 D HA -0.152 4.488 4.640 0.000 0.000 0.195 232 D C 1.945 178.258 176.300 0.023 0.000 0.997 232 D CA 1.083 55.106 54.000 0.038 0.000 0.840 232 D CB -0.315 40.499 40.800 0.024 0.000 0.947 232 D HN 0.464 nan 8.370 nan 0.000 0.452 233 I N 0.366 120.949 120.570 0.022 0.000 2.394 233 I HA -0.193 3.977 4.170 0.000 0.000 0.251 233 I C 2.414 178.545 176.117 0.022 0.000 1.136 233 I CA 0.909 62.230 61.300 0.035 0.000 1.425 233 I CB -0.027 38.014 38.000 0.067 0.000 1.079 233 I HN -0.099 nan 8.210 nan 0.000 0.425 234 R N -0.228 120.283 120.500 0.017 0.000 2.119 234 R HA -0.035 4.305 4.340 0.000 0.000 0.222 234 R C 2.275 178.561 176.300 -0.024 0.000 1.088 234 R CA 0.741 56.846 56.100 0.009 0.000 0.984 234 R CB -0.194 30.114 30.300 0.014 0.000 0.884 234 R HN 0.180 nan 8.270 nan 0.000 0.447 235 V N 1.313 121.216 119.914 -0.019 0.000 2.427 235 V HA -0.218 3.902 4.120 0.000 0.000 0.248 235 V C 1.862 177.873 176.094 -0.139 0.000 1.051 235 V CA 1.761 64.039 62.300 -0.037 0.000 1.048 235 V CB -0.295 31.548 31.823 0.033 0.000 0.666 235 V HN 0.331 nan 8.190 nan 0.000 0.456 236 E N -0.337 119.749 120.200 -0.191 0.000 2.047 236 E HA -0.241 4.109 4.350 0.000 0.000 0.191 236 E C 2.326 178.472 176.600 -0.757 0.000 0.987 236 E CA 1.266 57.391 56.400 -0.459 0.000 0.799 236 E CB -0.147 29.336 29.700 -0.362 0.000 0.752 236 E HN 0.601 nan 8.360 nan 0.000 0.449 237 E N 0.636 120.625 120.200 -0.351 0.000 2.085 237 E HA -0.210 4.140 4.350 0.000 0.000 0.194 237 E C 2.161 178.702 176.600 -0.098 0.000 0.994 237 E CA 1.554 57.876 56.400 -0.129 0.000 0.801 237 E CB 0.015 29.752 29.700 0.061 0.000 0.743 237 E HN 0.218 nan 8.360 nan 0.000 0.453 238 S N 0.341 115.980 115.700 -0.103 0.000 2.399 238 S HA -0.143 4.327 4.470 0.000 0.000 0.231 238 S C 2.072 176.630 174.600 -0.070 0.000 1.022 238 S CA 1.003 59.170 58.200 -0.055 0.000 0.983 238 S CB -0.525 62.649 63.200 -0.043 0.000 0.803 238 S HN 0.298 nan 8.310 nan 0.000 0.480 239 I N 0.051 120.524 120.570 -0.163 0.000 2.252 239 I HA -0.123 4.047 4.170 0.000 0.000 0.245 239 I C 2.306 178.414 176.117 -0.015 0.000 1.102 239 I CA 1.271 62.492 61.300 -0.131 0.000 1.385 239 I CB -0.483 37.392 38.000 -0.209 0.000 1.064 239 I HN 0.230 nan 8.210 nan 0.000 0.414 240 Y N 1.013 121.311 120.300 -0.003 0.000 2.181 240 Y HA -0.203 4.347 4.550 0.000 0.000 0.288 240 Y C 2.649 178.555 175.900 0.010 0.000 1.146 240 Y CA 0.644 58.745 58.100 0.002 0.000 1.164 240 Y CB -1.026 37.449 38.460 0.025 0.000 0.982 240 Y HN 0.230 nan 8.280 nan 0.000 0.515 241 Q N -1.264 118.633 119.800 0.163 0.000 2.437 241 Q HA -0.119 4.221 4.340 0.000 0.000 0.210 241 Q C 2.278 178.314 176.000 0.060 0.000 0.972 241 Q CA 0.815 56.677 55.803 0.098 0.000 0.903 241 Q CB -0.762 28.018 28.738 0.070 0.000 0.967 241 Q HN 0.500 nan 8.270 nan 0.000 0.486 242 C N 0.166 119.495 119.300 0.048 0.000 2.448 242 C HA -0.018 4.442 4.460 0.000 0.000 0.280 242 C C 1.513 176.521 174.990 0.030 0.000 1.398 242 C CA -0.658 58.376 59.018 0.027 0.000 1.774 242 C CB -0.646 27.100 27.740 0.009 0.000 1.888 242 C HN 0.411 nan 8.230 nan 0.000 0.519 243 C N 1.735 121.063 119.300 0.046 0.000 2.700 243 C HA 0.114 4.574 4.460 0.000 0.000 0.397 243 C C 0.580 175.590 174.990 0.033 0.000 1.301 243 C CA -0.353 58.687 59.018 0.036 0.000 2.219 243 C CB -0.179 27.588 27.740 0.044 0.000 2.699 243 C HN 0.494 nan 8.230 nan 0.000 0.669 244 D N 1.927 122.342 120.400 0.024 0.000 2.352 244 D HA 0.409 5.049 4.640 0.000 0.000 0.245 244 D C -0.593 175.726 176.300 0.030 0.000 1.224 244 D CA 0.321 54.335 54.000 0.024 0.000 0.879 244 D CB 0.164 40.974 40.800 0.017 0.000 1.057 244 D HN 0.399 nan 8.370 nan 0.000 0.491 245 L N 1.808 123.054 121.223 0.038 0.000 2.301 245 L HA 0.669 5.009 4.340 0.000 0.000 0.264 245 L C 0.461 177.361 176.870 0.050 0.000 1.016 245 L CA -1.328 53.541 54.840 0.048 0.000 0.821 245 L CB 1.627 43.722 42.059 0.059 0.000 1.346 245 L HN 0.271 nan 8.230 nan 0.000 0.429 246 A N 0.805 123.662 122.820 0.062 0.000 2.351 246 A HA 0.469 4.789 4.320 0.000 0.000 0.257 246 A C -1.903 175.724 177.584 0.072 0.000 1.087 246 A CA -1.098 50.978 52.037 0.066 0.000 0.798 246 A CB 0.095 19.142 19.000 0.079 0.000 1.033 246 A HN 0.607 nan 8.150 nan 0.000 0.488 247 P HA -0.190 nan 4.420 nan 0.000 0.215 247 P C 1.062 178.397 177.300 0.058 0.000 1.157 247 P CA 1.720 64.850 63.100 0.051 0.000 0.874 247 P CB 0.164 31.889 31.700 0.042 0.000 0.790 248 E N -0.797 119.463 120.200 0.100 0.000 2.150 248 E HA -0.136 4.214 4.350 0.000 0.000 0.193 248 E C 2.048 178.729 176.600 0.135 0.000 0.985 248 E CA 1.070 57.544 56.400 0.123 0.000 0.814 248 E CB -0.459 29.416 29.700 0.292 0.000 0.752 248 E HN 0.170 nan 8.360 nan 0.000 0.466 249 A N 1.702 124.635 122.820 0.187 0.000 1.858 249 A HA -0.213 4.107 4.320 0.000 0.000 0.216 249 A C 2.124 179.768 177.584 0.100 0.000 1.190 249 A CA 1.561 53.712 52.037 0.190 0.000 0.617 249 A CB -0.498 18.596 19.000 0.156 0.000 0.827 249 A HN 0.080 nan 8.150 nan 0.000 0.443 250 R N -0.831 119.713 120.500 0.073 0.000 2.103 250 R HA -0.252 4.088 4.340 0.000 0.000 0.242 250 R C 2.430 178.743 176.300 0.021 0.000 1.142 250 R CA 2.119 58.251 56.100 0.053 0.000 0.960 250 R CB -0.253 30.073 30.300 0.044 0.000 0.858 250 R HN 0.600 nan 8.270 nan 0.000 0.439 251 Q N 0.019 119.810 119.800 -0.014 0.000 2.046 251 Q HA -0.056 4.285 4.340 0.000 0.000 0.200 251 Q C 1.834 177.766 176.000 -0.114 0.000 0.975 251 Q CA 2.106 57.870 55.803 -0.065 0.000 0.836 251 Q CB -0.293 28.387 28.738 -0.096 0.000 0.896 251 Q HN 0.417 nan 8.270 nan 0.000 0.428 252 A N 0.220 122.940 122.820 -0.166 0.000 1.933 252 A HA -0.130 4.190 4.320 0.000 0.000 0.218 252 A C 2.113 179.651 177.584 -0.076 0.000 1.175 252 A CA 1.494 53.388 52.037 -0.238 0.000 0.628 252 A CB -0.717 18.069 19.000 -0.356 0.000 0.814 252 A HN 0.501 nan 8.150 nan 0.000 0.444 253 I N -0.699 119.882 120.570 0.019 0.000 2.353 253 I HA -0.216 3.955 4.170 0.000 0.000 0.248 253 I C 2.517 178.685 176.117 0.085 0.000 1.119 253 I CA 1.648 63.007 61.300 0.098 0.000 1.417 253 I CB -0.218 37.870 38.000 0.146 0.000 1.078 253 I HN 0.398 nan 8.210 nan 0.000 0.421 254 K N 0.627 121.049 120.400 0.037 0.000 2.057 254 K HA -0.192 4.128 4.320 0.000 0.000 0.206 254 K C 2.348 178.938 176.600 -0.017 0.000 1.050 254 K CA 1.733 58.034 56.287 0.024 0.000 0.935 254 K CB -0.070 32.433 32.500 0.004 0.000 0.715 254 K HN 0.096 nan 8.250 nan 0.000 0.439 255 S N 0.867 116.530 115.700 -0.063 0.000 2.348 255 S HA -0.093 4.377 4.470 0.000 0.000 0.221 255 S C 1.992 176.510 174.600 -0.137 0.000 1.033 255 S CA 1.175 59.315 58.200 -0.101 0.000 1.010 255 S CB -0.298 62.815 63.200 -0.144 0.000 0.891 255 S HN 0.365 nan 8.310 nan 0.000 0.442 256 L N 0.754 121.869 121.223 -0.181 0.000 2.079 256 L HA -0.124 4.216 4.340 0.000 0.000 0.210 256 L C 2.729 179.293 176.870 -0.510 0.000 1.081 256 L CA 1.550 56.152 54.840 -0.397 0.000 0.752 256 L CB -0.946 40.860 42.059 -0.421 0.000 0.896 256 L HN 0.365 nan 8.230 nan 0.000 0.433 257 T N -1.127 113.340 114.554 -0.144 0.000 2.701 257 T HA -0.133 4.217 4.350 0.000 0.000 0.263 257 T C 1.760 176.467 174.700 0.011 0.000 1.040 257 T CA 1.112 63.253 62.100 0.069 0.000 1.147 257 T CB -0.058 68.915 68.868 0.175 0.000 0.865 257 T HN 0.263 nan 8.240 nan 0.000 0.426 258 E N 0.910 121.099 120.200 -0.018 0.000 2.285 258 E HA 0.045 4.395 4.350 0.000 0.000 0.194 258 E C 2.187 178.770 176.600 -0.029 0.000 0.997 258 E CA 0.645 57.038 56.400 -0.011 0.000 0.845 258 E CB -0.024 29.670 29.700 -0.010 0.000 0.782 258 E HN 0.459 nan 8.360 nan 0.000 0.491 259 R N -0.599 119.856 120.500 -0.075 0.000 2.282 259 R HA 0.163 4.503 4.340 0.000 0.000 0.195 259 R C 1.682 177.925 176.300 -0.095 0.000 0.909 259 R CA 0.195 56.252 56.100 -0.071 0.000 1.039 259 R CB 0.434 30.686 30.300 -0.081 0.000 1.015 259 R HN 0.021 nan 8.270 nan 0.000 0.513 260 L N -2.340 118.788 121.223 -0.159 0.000 2.678 260 L HA 0.196 4.536 4.340 0.000 0.000 0.187 260 L C 1.153 178.013 176.870 -0.017 0.000 1.073 260 L CA 0.585 55.337 54.840 -0.147 0.000 0.883 260 L CB -0.243 41.660 42.059 -0.260 0.000 1.501 260 L HN -0.158 nan 8.230 nan 0.000 0.488 261 Y N 0.360 120.677 120.300 0.029 0.000 2.224 261 Y HA -0.098 4.452 4.550 0.000 0.000 0.289 261 Y C 2.646 178.553 175.900 0.012 0.000 1.146 261 Y CA 1.585 59.708 58.100 0.040 0.000 1.182 261 Y CB -0.772 37.736 38.460 0.080 0.000 0.983 261 Y HN 0.210 nan 8.280 nan 0.000 0.524 262 I N -0.987 119.670 120.570 0.144 0.000 2.928 262 I HA 0.133 4.303 4.170 0.000 0.000 0.266 262 I C 0.962 177.089 176.117 0.016 0.000 1.234 262 I CA 0.964 62.307 61.300 0.072 0.000 1.483 262 I CB -0.132 37.904 38.000 0.059 0.000 1.097 262 I HN 0.281 nan 8.210 nan 0.000 0.455 263 G N -0.935 107.853 108.800 -0.020 0.000 2.337 263 G HA2 0.436 4.396 3.960 0.000 0.000 0.298 263 G HA3 0.436 4.396 3.960 0.000 0.000 0.298 263 G C -0.845 173.898 174.900 -0.262 0.000 1.335 263 G CA -0.255 44.763 45.100 -0.136 0.000 0.875 263 G HN 0.451 nan 8.290 nan 0.000 0.579 264 G N -0.931 107.420 108.800 -0.747 0.000 2.320 264 G HA2 0.732 4.692 3.960 0.000 0.000 0.297 264 G HA3 0.732 4.692 3.960 0.000 0.000 0.297 264 G C -3.470 170.749 174.900 -1.135 0.000 1.344 264 G CA 0.175 44.793 45.100 -0.803 0.000 0.851 264 G HN 0.837 nan 8.290 nan 0.000 0.567 265 P HA 0.474 nan 4.420 nan 0.000 0.275 265 P C -0.560 176.642 177.300 -0.164 0.000 1.228 265 P CA -0.204 62.763 63.100 -0.222 0.000 0.786 265 P CB 1.329 33.040 31.700 0.019 0.000 0.927 266 L N 2.275 123.449 121.223 -0.080 0.000 2.322 266 L HA 0.489 4.829 4.340 0.000 0.000 0.281 266 L C 0.433 177.308 176.870 0.008 0.000 1.014 266 L CA -0.224 54.600 54.840 -0.027 0.000 0.815 266 L CB 1.671 43.758 42.059 0.047 0.000 1.247 266 L HN 0.296 nan 8.230 nan 0.000 0.421 267 T N 1.368 115.907 114.554 -0.025 0.000 2.848 267 T HA 0.317 4.667 4.350 0.000 0.000 0.285 267 T C -0.259 174.425 174.700 -0.027 0.000 0.995 267 T CA -0.867 61.222 62.100 -0.018 0.000 0.970 267 T CB 1.525 70.367 68.868 -0.044 0.000 0.976 267 T HN 0.654 nan 8.240 nan 0.000 0.441 268 N N 0.872 119.574 118.700 0.003 0.000 2.327 268 N HA 0.113 4.853 4.740 0.000 0.000 0.257 268 N C 1.478 176.982 175.510 -0.009 0.000 1.281 268 N CA -0.211 52.841 53.050 0.003 0.000 0.942 268 N CB 0.115 38.614 38.487 0.019 0.000 1.199 268 N HN 0.455 nan 8.380 nan 0.000 0.532 269 S N -1.062 114.642 115.700 0.006 0.000 2.442 269 S HA -0.117 4.353 4.470 0.000 0.000 0.236 269 S C 1.029 175.630 174.600 0.002 0.000 1.007 269 S CA 0.735 58.941 58.200 0.010 0.000 0.965 269 S CB -0.451 62.767 63.200 0.031 0.000 0.773 269 S HN 0.636 nan 8.310 nan 0.000 0.504 270 K N 0.786 121.188 120.400 0.003 0.000 2.444 270 K HA 0.253 4.574 4.320 0.000 0.000 0.193 270 K C 1.234 177.830 176.600 -0.006 0.000 1.024 270 K CA 0.362 56.649 56.287 0.000 0.000 1.077 270 K CB -0.195 32.308 32.500 0.006 0.000 0.833 270 K HN 0.558 nan 8.250 nan 0.000 0.517 271 G N 1.777 110.569 108.800 -0.012 0.000 2.159 271 G HA2 -0.295 3.665 3.960 0.000 0.000 0.256 271 G HA3 -0.295 3.665 3.960 0.000 0.000 0.256 271 G C -0.226 174.671 174.900 -0.005 0.000 0.977 271 G CA -0.021 45.068 45.100 -0.018 0.000 0.652 271 G HN 0.368 nan 8.290 nan 0.000 0.531 272 Q N -0.047 119.756 119.800 0.006 0.000 2.259 272 Q HA 0.343 4.683 4.340 0.000 0.000 0.246 272 Q C 0.372 176.390 176.000 0.030 0.000 0.920 272 Q CA -0.550 55.264 55.803 0.018 0.000 0.895 272 Q CB 0.973 29.725 28.738 0.024 0.000 1.220 272 Q HN 0.399 nan 8.270 nan 0.000 0.439 273 N N 1.256 119.980 118.700 0.040 0.000 2.420 273 N HA 0.024 4.764 4.740 0.000 0.000 0.262 273 N C -0.194 175.370 175.510 0.089 0.000 1.144 273 N CA -0.427 52.657 53.050 0.057 0.000 0.952 273 N CB 0.507 39.028 38.487 0.056 0.000 1.081 273 N HN 0.587 nan 8.380 nan 0.000 0.480 274 C N 2.988 122.359 119.300 0.119 0.000 2.590 274 C HA 0.384 4.844 4.460 0.000 0.000 0.272 274 C C 1.243 176.400 174.990 0.277 0.000 1.338 274 C CA 0.521 59.665 59.018 0.211 0.000 1.746 274 C CB -1.158 26.736 27.740 0.256 0.000 2.020 274 C HN 0.975 nan 8.230 nan 0.000 0.531 275 G N -1.429 107.460 108.800 0.149 0.000 2.332 275 G HA2 0.253 4.213 3.960 0.000 0.000 0.265 275 G HA3 0.253 4.213 3.960 0.000 0.000 0.265 275 G C -2.057 172.869 174.900 0.043 0.000 1.329 275 G CA -0.469 44.669 45.100 0.063 0.000 0.949 275 G HN 0.030 nan 8.290 nan 0.000 0.476 276 Y N 0.600 120.774 120.300 -0.210 0.000 2.492 276 Y HA 0.776 5.326 4.550 0.000 0.000 0.346 276 Y C 0.085 175.839 175.900 -0.242 0.000 0.997 276 Y CA -0.864 57.132 58.100 -0.174 0.000 1.025 276 Y CB 2.041 40.413 38.460 -0.146 0.000 1.263 276 Y HN 0.719 nan 8.280 nan 0.000 0.454 277 R N 4.404 124.633 120.500 -0.451 0.000 2.460 277 R HA 0.559 4.900 4.340 0.000 0.000 0.303 277 R C -0.748 175.333 176.300 -0.365 0.000 0.968 277 R CA -0.589 55.227 56.100 -0.474 0.000 0.889 277 R CB 1.008 31.096 30.300 -0.353 0.000 1.123 277 R HN 0.927 nan 8.270 nan 0.000 0.455 278 R N 2.912 123.178 120.500 -0.389 0.000 2.659 278 R HA 0.214 4.554 4.340 0.000 0.000 0.418 278 R C -0.478 175.677 176.300 -0.242 0.000 1.076 278 R CA -0.298 55.683 56.100 -0.199 0.000 1.093 278 R CB 0.503 30.732 30.300 -0.118 0.000 1.400 278 R HN 0.772 nan 8.270 nan 0.000 0.583 279 C N -1.611 117.494 119.300 -0.325 0.000 3.308 279 C HA 0.605 5.065 4.460 0.000 0.000 0.360 279 C C 0.034 174.954 174.990 -0.117 0.000 1.695 279 C CA -1.529 57.351 59.018 -0.231 0.000 1.366 279 C CB 1.158 28.708 27.740 -0.317 0.000 2.121 279 C HN 0.396 nan 8.230 nan 0.000 0.442 280 R N 1.069 121.549 120.500 -0.032 0.000 2.570 280 R HA 0.466 4.806 4.340 0.000 0.000 0.277 280 R C -0.041 176.311 176.300 0.086 0.000 1.039 280 R CA 0.844 56.977 56.100 0.055 0.000 1.065 280 R CB 0.111 30.481 30.300 0.116 0.000 0.964 280 R HN 1.115 nan 8.270 nan 0.000 0.428 281 A N 3.416 126.303 122.820 0.112 0.000 2.289 281 A HA 0.221 4.541 4.320 0.000 0.000 0.298 281 A C 0.978 178.661 177.584 0.165 0.000 1.208 281 A CA -0.135 51.989 52.037 0.145 0.000 0.845 281 A CB 0.818 19.911 19.000 0.154 0.000 1.125 281 A HN 1.013 nan 8.150 nan 0.000 0.517 282 S N 2.029 117.841 115.700 0.188 0.000 2.474 282 S HA 0.035 4.505 4.470 0.000 0.000 0.235 282 S C 1.064 175.766 174.600 0.170 0.000 0.997 282 S CA 0.911 59.219 58.200 0.180 0.000 0.949 282 S CB 0.010 63.323 63.200 0.188 0.000 0.766 282 S HN 1.286 nan 8.310 nan 0.000 0.517 283 G N 1.572 110.495 108.800 0.204 0.000 4.547 283 G HA2 0.520 4.480 3.960 0.000 0.000 0.301 283 G HA3 0.520 4.480 3.960 0.000 0.000 0.301 283 G C -0.162 174.871 174.900 0.221 0.000 1.240 283 G CA -0.024 45.209 45.100 0.221 0.000 0.970 283 G HN 0.592 nan 8.290 nan 0.000 0.574 284 V N -2.653 117.370 119.914 0.181 0.000 3.113 284 V HA 0.601 4.721 4.120 0.000 0.000 0.316 284 V C 1.388 177.557 176.094 0.126 0.000 1.125 284 V CA -0.946 61.474 62.300 0.200 0.000 1.026 284 V CB 1.690 33.687 31.823 0.291 0.000 1.080 284 V HN 0.059 nan 8.190 nan 0.000 0.444 285 L N 2.238 123.549 121.223 0.146 0.000 2.079 285 L HA -0.063 4.277 4.340 0.000 0.000 0.210 285 L C 2.352 179.231 176.870 0.015 0.000 1.081 285 L CA 3.113 58.020 54.840 0.112 0.000 0.752 285 L CB -0.723 41.430 42.059 0.157 0.000 0.896 285 L HN 1.093 nan 8.230 nan 0.000 0.433 286 T N -5.611 108.868 114.554 -0.124 0.000 3.148 286 T HA -0.021 4.329 4.350 0.000 0.000 0.253 286 T C 1.585 176.223 174.700 -0.104 0.000 1.134 286 T CA 0.783 62.762 62.100 -0.201 0.000 1.051 286 T CB -0.798 67.790 68.868 -0.467 0.000 0.959 286 T HN 0.300 nan 8.240 nan 0.000 0.525 287 T N 1.975 116.502 114.554 -0.044 0.000 2.635 287 T HA -0.170 4.180 4.350 0.000 0.000 0.267 287 T C 2.204 176.925 174.700 0.035 0.000 1.040 287 T CA 1.811 63.925 62.100 0.023 0.000 1.156 287 T CB -0.663 68.243 68.868 0.064 0.000 0.863 287 T HN 0.544 nan 8.240 nan 0.000 0.430 288 S N -0.331 115.361 115.700 -0.014 0.000 2.345 288 S HA -0.150 4.321 4.470 0.000 0.000 0.220 288 S C 2.455 177.064 174.600 0.016 0.000 1.031 288 S CA 1.416 59.590 58.200 -0.043 0.000 0.996 288 S CB -0.953 62.102 63.200 -0.241 0.000 0.882 288 S HN 0.673 nan 8.310 nan 0.000 0.445 289 C N 1.322 120.609 119.300 -0.022 0.000 2.432 289 C HA 0.074 4.534 4.460 0.000 0.000 0.277 289 C C 2.815 177.867 174.990 0.105 0.000 1.249 289 C CA 1.141 60.176 59.018 0.029 0.000 1.725 289 C CB -1.821 25.901 27.740 -0.029 0.000 2.028 289 C HN 0.717 nan 8.230 nan 0.000 0.477 290 G N 0.582 109.453 108.800 0.118 0.000 2.459 290 G HA2 -0.237 3.723 3.960 0.000 0.000 0.217 290 G HA3 -0.237 3.723 3.960 0.000 0.000 0.217 290 G C 1.518 176.523 174.900 0.174 0.000 1.183 290 G CA 1.147 46.330 45.100 0.137 0.000 0.776 290 G HN 0.592 nan 8.290 nan 0.000 0.552 291 N N 0.433 119.248 118.700 0.191 0.000 2.104 291 N HA -0.093 4.647 4.740 0.000 0.000 0.190 291 N C 2.427 178.018 175.510 0.136 0.000 1.024 291 N CA 1.733 54.926 53.050 0.239 0.000 0.853 291 N CB -0.830 37.714 38.487 0.094 0.000 1.008 291 N HN 0.278 nan 8.380 nan 0.000 0.424 292 T N 1.854 116.487 114.554 0.132 0.000 2.708 292 T HA -0.029 4.321 4.350 0.000 0.000 0.266 292 T C 2.186 176.993 174.700 0.178 0.000 1.037 292 T CA 0.747 62.944 62.100 0.163 0.000 1.146 292 T CB -0.374 68.663 68.868 0.283 0.000 0.865 292 T HN 0.124 nan 8.240 nan 0.000 0.435 293 L N 0.687 121.990 121.223 0.134 0.000 2.012 293 L HA -0.139 4.201 4.340 0.000 0.000 0.210 293 L C 2.980 179.959 176.870 0.182 0.000 1.073 293 L CA 1.349 56.249 54.840 0.101 0.000 0.748 293 L CB -1.090 40.983 42.059 0.024 0.000 0.891 293 L HN 0.291 nan 8.230 nan 0.000 0.431 294 T N -1.405 113.275 114.554 0.210 0.000 2.746 294 T HA -0.243 4.107 4.350 0.000 0.000 0.267 294 T C 2.011 176.925 174.700 0.356 0.000 1.039 294 T CA 1.486 63.744 62.100 0.264 0.000 1.142 294 T CB -0.507 68.546 68.868 0.309 0.000 0.866 294 T HN 0.479 nan 8.240 nan 0.000 0.444 295 C N 0.623 120.176 119.300 0.421 0.000 2.446 295 C HA -0.070 4.390 4.460 0.000 0.000 0.277 295 C C 2.395 177.551 174.990 0.276 0.000 1.275 295 C CA 0.453 59.699 59.018 0.380 0.000 1.727 295 C CB -1.416 26.411 27.740 0.145 0.000 2.010 295 C HN 0.651 nan 8.230 nan 0.000 0.486 296 Y N 1.058 121.431 120.300 0.121 0.000 2.145 296 Y HA -0.123 4.427 4.550 0.000 0.000 0.286 296 Y C 2.184 178.112 175.900 0.047 0.000 1.145 296 Y CA 2.118 60.266 58.100 0.080 0.000 1.148 296 Y CB -0.566 37.929 38.460 0.058 0.000 0.981 296 Y HN 0.336 nan 8.280 nan 0.000 0.507 297 L N 1.178 122.512 121.223 0.184 0.000 1.994 297 L HA -0.200 4.140 4.340 0.000 0.000 0.208 297 L C 2.101 178.906 176.870 -0.108 0.000 1.071 297 L CA 2.054 56.879 54.840 -0.025 0.000 0.745 297 L CB -0.962 41.050 42.059 -0.078 0.000 0.892 297 L HN 0.169 nan 8.230 nan 0.000 0.431 298 K N -0.411 120.004 120.400 0.026 0.000 2.057 298 K HA -0.090 4.231 4.320 0.000 0.000 0.207 298 K C 2.080 178.728 176.600 0.079 0.000 1.049 298 K CA 1.381 57.713 56.287 0.075 0.000 0.931 298 K CB -0.440 32.197 32.500 0.227 0.000 0.714 298 K HN 0.506 nan 8.250 nan 0.000 0.440 299 A N 1.065 123.914 122.820 0.047 0.000 1.898 299 A HA -0.130 4.190 4.320 0.000 0.000 0.216 299 A C 2.239 179.839 177.584 0.026 0.000 1.181 299 A CA 1.697 53.768 52.037 0.056 0.000 0.620 299 A CB -0.512 18.583 19.000 0.159 0.000 0.819 299 A HN 0.158 nan 8.150 nan 0.000 0.442 300 S N -0.092 115.514 115.700 -0.156 0.000 2.356 300 S HA -0.078 4.392 4.470 0.000 0.000 0.223 300 S C 2.316 176.860 174.600 -0.095 0.000 1.032 300 S CA 1.278 59.350 58.200 -0.213 0.000 1.005 300 S CB -0.469 62.461 63.200 -0.451 0.000 0.867 300 S HN 0.794 nan 8.310 nan 0.000 0.449 301 A N 1.452 124.233 122.820 -0.066 0.000 1.902 301 A HA 0.118 4.438 4.320 0.000 0.000 0.217 301 A C 2.341 179.981 177.584 0.095 0.000 1.181 301 A CA 1.691 53.745 52.037 0.028 0.000 0.623 301 A CB -1.041 17.970 19.000 0.018 0.000 0.818 301 A HN 0.519 nan 8.150 nan 0.000 0.443 302 A N -1.165 121.723 122.820 0.113 0.000 1.972 302 A HA -0.145 4.175 4.320 0.000 0.000 0.219 302 A C 2.259 179.861 177.584 0.029 0.000 1.169 302 A CA 1.598 53.571 52.037 -0.106 0.000 0.635 302 A CB -1.191 17.385 19.000 -0.708 0.000 0.810 302 A HN 0.589 nan 8.150 nan 0.000 0.446 303 C N -0.924 118.479 119.300 0.172 0.000 2.429 303 C HA -0.066 4.394 4.460 0.000 0.000 0.277 303 C C 2.886 177.890 174.990 0.024 0.000 1.262 303 C CA 1.080 60.231 59.018 0.223 0.000 1.733 303 C CB -1.238 26.589 27.740 0.146 0.000 2.010 303 C HN 0.611 nan 8.230 nan 0.000 0.483 304 R N 0.994 121.415 120.500 -0.131 0.000 2.092 304 R HA -0.056 4.284 4.340 0.000 0.000 0.231 304 R C 2.394 178.427 176.300 -0.446 0.000 1.119 304 R CA 1.475 57.365 56.100 -0.349 0.000 0.970 304 R CB -0.497 29.456 30.300 -0.578 0.000 0.864 304 R HN 0.525 nan 8.270 nan 0.000 0.440 305 A N 1.335 123.942 122.820 -0.354 0.000 1.933 305 A HA -0.080 4.240 4.320 0.000 0.000 0.218 305 A C 2.204 179.792 177.584 0.005 0.000 1.175 305 A CA 1.707 53.709 52.037 -0.058 0.000 0.628 305 A CB -0.417 18.616 19.000 0.056 0.000 0.814 305 A HN 0.383 nan 8.150 nan 0.000 0.444 306 A N -1.421 121.410 122.820 0.018 0.000 2.251 306 A HA 0.287 4.607 4.320 0.000 0.000 0.209 306 A C 0.965 178.572 177.584 0.038 0.000 1.187 306 A CA 0.712 52.782 52.037 0.056 0.000 0.823 306 A CB -0.428 18.653 19.000 0.136 0.000 0.846 306 A HN 0.488 nan 8.150 nan 0.000 0.486 307 K N -0.735 119.672 120.400 0.011 0.000 3.071 307 K HA -0.158 4.162 4.320 0.000 0.000 0.265 307 K C -0.749 175.861 176.600 0.018 0.000 1.060 307 K CA 0.425 56.718 56.287 0.009 0.000 0.767 307 K CB -1.981 30.532 32.500 0.021 0.000 1.241 307 K HN 0.551 nan 8.250 nan 0.000 0.486 308 L N 1.726 122.967 121.223 0.031 0.000 2.455 308 L HA 0.035 4.375 4.340 0.000 0.000 0.272 308 L C 1.055 177.934 176.870 0.014 0.000 1.174 308 L CA -0.067 54.794 54.840 0.035 0.000 0.869 308 L CB 0.370 42.471 42.059 0.070 0.000 1.130 308 L HN 0.093 nan 8.230 nan 0.000 0.474 309 Q N 2.206 122.009 119.800 0.005 0.000 2.267 309 Q HA 0.075 4.415 4.340 0.000 0.000 0.255 309 Q C -0.177 175.811 176.000 -0.020 0.000 0.923 309 Q CA -0.357 55.442 55.803 -0.008 0.000 0.925 309 Q CB 1.014 29.745 28.738 -0.011 0.000 1.195 309 Q HN 0.516 nan 8.270 nan 0.000 0.417 310 D N 0.727 121.115 120.400 -0.020 0.000 2.803 310 D HA -0.186 4.454 4.640 0.000 0.000 0.233 310 D C -1.112 175.167 176.300 -0.035 0.000 1.182 310 D CA 0.249 54.232 54.000 -0.028 0.000 0.726 310 D CB -0.795 39.980 40.800 -0.043 0.000 0.987 310 D HN 0.510 nan 8.370 nan 0.000 0.412 311 C N 1.056 120.343 119.300 -0.021 0.000 2.601 311 C HA 0.592 5.052 4.460 0.000 0.000 0.409 311 C C 0.850 175.831 174.990 -0.015 0.000 1.293 311 C CA -0.179 58.823 59.018 -0.026 0.000 2.101 311 C CB 0.962 28.695 27.740 -0.013 0.000 2.639 311 C HN 0.514 nan 8.230 nan 0.000 0.592 312 T N 5.178 119.715 114.554 -0.028 0.000 2.890 312 T HA 0.456 4.806 4.350 0.000 0.000 0.295 312 T C -0.444 174.270 174.700 0.024 0.000 0.993 312 T CA -0.235 61.877 62.100 0.021 0.000 0.979 312 T CB 0.788 69.640 68.868 -0.026 0.000 0.967 312 T HN 0.531 nan 8.240 nan 0.000 0.441 313 M N 3.156 122.810 119.600 0.091 0.000 2.537 313 M HA 0.654 5.134 4.480 0.000 0.000 0.324 313 M C -1.181 175.227 176.300 0.179 0.000 1.187 313 M CA -1.150 54.195 55.300 0.075 0.000 0.993 313 M CB 1.962 34.592 32.600 0.050 0.000 1.666 313 M HN 0.329 nan 8.290 nan 0.000 0.461 314 L N 2.775 124.068 121.223 0.117 0.000 2.404 314 L HA 0.657 4.997 4.340 0.000 0.000 0.272 314 L C -1.500 175.384 176.870 0.024 0.000 0.980 314 L CA -0.449 54.461 54.840 0.116 0.000 0.836 314 L CB 1.780 43.922 42.059 0.137 0.000 1.238 314 L HN 0.495 nan 8.230 nan 0.000 0.408 315 V N 4.172 124.089 119.914 0.005 0.000 2.604 315 V HA 0.603 4.723 4.120 0.000 0.000 0.305 315 V C -0.748 175.202 176.094 -0.241 0.000 1.043 315 V CA -0.650 61.628 62.300 -0.036 0.000 0.888 315 V CB 2.062 33.957 31.823 0.121 0.000 0.995 315 V HN 0.792 nan 8.190 nan 0.000 0.429 316 N N 3.254 121.768 118.700 -0.309 0.000 2.609 316 N HA 0.604 5.344 4.740 0.000 0.000 0.268 316 N C 0.519 175.936 175.510 -0.155 0.000 1.106 316 N CA 0.512 53.194 53.050 -0.613 0.000 0.823 316 N CB 1.735 39.739 38.487 -0.805 0.000 1.263 316 N HN 1.099 nan 8.380 nan 0.000 0.533 317 G N 2.461 111.315 108.800 0.090 0.000 2.622 317 G HA2 -0.407 3.553 3.960 0.000 0.000 0.307 317 G HA3 -0.407 3.553 3.960 0.000 0.000 0.307 317 G C 0.512 175.282 174.900 -0.218 0.000 1.226 317 G CA 0.870 45.984 45.100 0.023 0.000 0.997 317 G HN 0.639 nan 8.290 nan 0.000 0.551 318 D N 1.114 121.288 120.400 -0.377 0.000 2.340 318 D HA 0.137 4.777 4.640 0.000 0.000 0.220 318 D C 0.407 176.586 176.300 -0.201 0.000 1.039 318 D CA 0.803 54.425 54.000 -0.630 0.000 0.866 318 D CB -0.054 40.250 40.800 -0.827 0.000 0.913 318 D HN 0.425 nan 8.370 nan 0.000 0.523 319 D N 0.535 120.867 120.400 -0.114 0.000 2.280 319 D HA 0.313 4.953 4.640 0.000 0.000 0.243 319 D C -1.023 175.260 176.300 -0.027 0.000 1.129 319 D CA -0.544 53.429 54.000 -0.044 0.000 0.848 319 D CB 1.124 41.891 40.800 -0.054 0.000 1.107 319 D HN 0.071 nan 8.370 nan 0.000 0.471 320 L N 4.785 126.030 121.223 0.037 0.000 2.408 320 L HA 0.569 4.909 4.340 0.000 0.000 0.268 320 L C -1.812 175.051 176.870 -0.012 0.000 0.986 320 L CA -0.691 54.176 54.840 0.044 0.000 0.820 320 L CB 2.006 44.157 42.059 0.153 0.000 1.303 320 L HN 0.147 nan 8.230 nan 0.000 0.411 321 V N 5.588 125.449 119.914 -0.088 0.000 2.760 321 V HA 0.776 4.896 4.120 0.000 0.000 0.309 321 V C -1.505 174.416 176.094 -0.288 0.000 1.077 321 V CA -0.347 61.834 62.300 -0.198 0.000 0.910 321 V CB 2.403 34.150 31.823 -0.126 0.000 1.008 321 V HN 0.607 nan 8.190 nan 0.000 0.424 322 V N 7.679 127.240 119.914 -0.588 0.000 2.540 322 V HA 0.593 4.713 4.120 0.000 0.000 0.302 322 V C -0.367 175.477 176.094 -0.416 0.000 1.035 322 V CA -0.461 61.499 62.300 -0.565 0.000 0.873 322 V CB 1.826 33.089 31.823 -0.933 0.000 0.992 322 V HN 0.740 nan 8.190 nan 0.000 0.428 323 I N 5.079 125.531 120.570 -0.196 0.000 2.436 323 I HA 0.672 4.842 4.170 0.000 0.000 0.289 323 I C -0.021 176.025 176.117 -0.118 0.000 1.010 323 I CA -0.306 60.936 61.300 -0.097 0.000 1.098 323 I CB 1.593 39.579 38.000 -0.024 0.000 1.266 323 I HN 0.889 nan 8.210 nan 0.000 0.434 324 C N 2.692 121.920 119.300 -0.120 0.000 3.336 324 C HA 0.582 5.042 4.460 0.000 0.000 0.352 324 C C -0.591 174.316 174.990 -0.138 0.000 1.567 324 C CA -0.881 58.075 59.018 -0.103 0.000 1.328 324 C CB 1.883 29.602 27.740 -0.036 0.000 1.922 324 C HN 0.610 nan 8.230 nan 0.000 0.439 325 E N 1.783 121.926 120.200 -0.096 0.000 2.229 325 E HA 0.323 4.674 4.350 0.000 0.000 0.283 325 E C -0.043 176.530 176.600 -0.045 0.000 1.030 325 E CA 0.445 56.789 56.400 -0.094 0.000 0.836 325 E CB 1.779 31.437 29.700 -0.070 0.000 1.068 325 E HN 0.715 nan 8.360 nan 0.000 0.401 326 S N 1.790 117.474 115.700 -0.027 0.000 2.564 326 S HA 0.257 4.727 4.470 0.000 0.000 0.278 326 S C 0.563 175.179 174.600 0.027 0.000 1.333 326 S CA 0.085 58.316 58.200 0.052 0.000 1.048 326 S CB 0.676 63.969 63.200 0.154 0.000 0.900 326 S HN 0.530 nan 8.310 nan 0.000 0.505 327 A N 3.282 126.124 122.820 0.038 0.000 2.465 327 A HA 0.643 4.963 4.320 0.000 0.000 0.255 327 A C 0.906 178.498 177.584 0.013 0.000 1.274 327 A CA 0.234 52.280 52.037 0.016 0.000 0.920 327 A CB -0.900 18.109 19.000 0.015 0.000 1.033 327 A HN 1.892 nan 8.150 nan 0.000 0.516 328 G N -1.315 107.495 108.800 0.018 0.000 2.674 328 G HA2 0.077 4.037 3.960 0.000 0.000 0.686 328 G HA3 0.077 4.037 3.960 0.000 0.000 0.686 328 G C 0.509 175.417 174.900 0.015 0.000 1.195 328 G CA 0.210 45.305 45.100 -0.009 0.000 0.776 328 G HN 1.039 nan 8.290 nan 0.000 0.654 329 T N -1.519 113.008 114.554 -0.045 0.000 2.746 329 T HA -0.131 4.219 4.350 0.000 0.000 0.267 329 T C 2.012 176.733 174.700 0.034 0.000 1.039 329 T CA 2.227 64.321 62.100 -0.010 0.000 1.142 329 T CB -0.243 68.547 68.868 -0.130 0.000 0.866 329 T HN 0.659 nan 8.240 nan 0.000 0.444 330 Q N 0.719 120.522 119.800 0.005 0.000 2.079 330 Q HA -0.112 4.228 4.340 0.000 0.000 0.200 330 Q C 2.496 178.505 176.000 0.015 0.000 0.974 330 Q CA 1.718 57.527 55.803 0.009 0.000 0.840 330 Q CB -0.170 28.566 28.738 -0.002 0.000 0.898 330 Q HN 0.638 nan 8.270 nan 0.000 0.430 331 E N 0.807 121.016 120.200 0.015 0.000 2.077 331 E HA -0.173 4.177 4.350 0.000 0.000 0.193 331 E C 1.585 178.198 176.600 0.021 0.000 0.989 331 E CA 1.245 57.654 56.400 0.015 0.000 0.800 331 E CB -0.044 29.664 29.700 0.013 0.000 0.746 331 E HN 0.270 nan 8.360 nan 0.000 0.452 332 D N 0.145 120.572 120.400 0.046 0.000 2.097 332 D HA -0.128 4.512 4.640 0.000 0.000 0.195 332 D C 1.884 178.183 176.300 -0.002 0.000 0.989 332 D CA 1.511 55.538 54.000 0.045 0.000 0.827 332 D CB -0.412 40.475 40.800 0.144 0.000 0.966 332 D HN 0.205 nan 8.370 nan 0.000 0.456 333 A N 1.021 123.853 122.820 0.020 0.000 1.883 333 A HA -0.095 4.225 4.320 0.000 0.000 0.217 333 A C 2.313 179.884 177.584 -0.021 0.000 1.186 333 A CA 2.476 54.510 52.037 -0.005 0.000 0.624 333 A CB -0.793 18.217 19.000 0.017 0.000 0.822 333 A HN 0.246 nan 8.150 nan 0.000 0.444 334 A N 0.269 123.084 122.820 -0.008 0.000 1.898 334 A HA -0.081 4.239 4.320 0.000 0.000 0.216 334 A C 2.516 180.094 177.584 -0.011 0.000 1.181 334 A CA 2.346 54.379 52.037 -0.007 0.000 0.620 334 A CB -1.037 17.963 19.000 0.000 0.000 0.819 334 A HN 1.042 nan 8.150 nan 0.000 0.442 335 S N -0.467 115.225 115.700 -0.015 0.000 2.399 335 S HA -0.121 4.349 4.470 0.000 0.000 0.231 335 S C 1.715 176.296 174.600 -0.031 0.000 1.022 335 S CA 1.532 59.726 58.200 -0.011 0.000 0.983 335 S CB -0.517 62.678 63.200 -0.009 0.000 0.803 335 S HN 0.240 nan 8.310 nan 0.000 0.480 336 L N 1.549 122.708 121.223 -0.107 0.000 2.141 336 L HA 0.162 4.502 4.340 0.000 0.000 0.209 336 L C 2.830 179.683 176.870 -0.027 0.000 1.094 336 L CA 1.367 56.090 54.840 -0.195 0.000 0.763 336 L CB -0.508 41.348 42.059 -0.338 0.000 0.908 336 L HN 0.265 nan 8.230 nan 0.000 0.437 337 R N -1.570 118.923 120.500 -0.012 0.000 2.092 337 R HA -0.073 4.267 4.340 0.000 0.000 0.231 337 R C 2.100 178.414 176.300 0.023 0.000 1.119 337 R CA 1.195 57.304 56.100 0.015 0.000 0.970 337 R CB -0.366 29.936 30.300 0.002 0.000 0.864 337 R HN 0.214 nan 8.270 nan 0.000 0.440 338 V N 0.665 120.591 119.914 0.021 0.000 2.453 338 V HA -0.220 3.901 4.120 0.000 0.000 0.247 338 V C 1.885 177.982 176.094 0.005 0.000 1.048 338 V CA 1.529 63.834 62.300 0.008 0.000 1.049 338 V CB -0.556 31.277 31.823 0.016 0.000 0.672 338 V HN 0.210 nan 8.190 nan 0.000 0.457 339 F N 1.655 121.545 119.950 -0.101 0.000 2.095 339 F HA -0.235 4.292 4.527 0.000 0.000 0.298 339 F C 2.447 178.162 175.800 -0.141 0.000 1.104 339 F CA 2.379 60.307 58.000 -0.119 0.000 1.232 339 F CB -0.556 38.358 39.000 -0.143 0.000 0.987 339 F HN 0.099 nan 8.300 nan 0.000 0.475 340 T N 0.142 114.760 114.554 0.107 0.000 2.746 340 T HA -0.209 4.141 4.350 0.000 0.000 0.267 340 T C 1.693 176.350 174.700 -0.070 0.000 1.039 340 T CA 1.820 63.973 62.100 0.089 0.000 1.142 340 T CB -0.370 68.635 68.868 0.229 0.000 0.866 340 T HN 0.403 nan 8.240 nan 0.000 0.444 341 E N 0.912 121.059 120.200 -0.088 0.000 2.077 341 E HA -0.087 4.263 4.350 0.000 0.000 0.193 341 E C 2.542 178.985 176.600 -0.261 0.000 0.989 341 E CA 1.050 57.374 56.400 -0.127 0.000 0.800 341 E CB -0.222 29.423 29.700 -0.091 0.000 0.746 341 E HN 0.488 nan 8.360 nan 0.000 0.452 342 A N 1.063 123.661 122.820 -0.371 0.000 1.877 342 A HA -0.187 4.133 4.320 0.000 0.000 0.216 342 A C 2.143 179.174 177.584 -0.923 0.000 1.186 342 A CA 1.262 52.899 52.037 -0.668 0.000 0.620 342 A CB -0.316 18.353 19.000 -0.552 0.000 0.822 342 A HN 0.122 nan 8.150 nan 0.000 0.443 343 M N -0.188 119.036 119.600 -0.626 0.000 2.149 343 M HA -0.117 4.363 4.480 0.000 0.000 0.261 343 M C 2.187 178.390 176.300 -0.161 0.000 1.064 343 M CA 2.039 57.123 55.300 -0.359 0.000 1.102 343 M CB -1.950 30.399 32.600 -0.419 0.000 1.369 343 M HN 0.462 nan 8.290 nan 0.000 0.408 344 T N 0.148 114.610 114.554 -0.154 0.000 2.708 344 T HA -0.124 4.226 4.350 0.000 0.000 0.266 344 T C 1.976 176.611 174.700 -0.108 0.000 1.037 344 T CA 1.181 63.237 62.100 -0.074 0.000 1.146 344 T CB -0.205 68.628 68.868 -0.059 0.000 0.865 344 T HN 0.378 nan 8.240 nan 0.000 0.435 345 R N 0.098 120.464 120.500 -0.225 0.000 2.105 345 R HA -0.066 4.274 4.340 0.000 0.000 0.239 345 R C 2.047 178.313 176.300 -0.057 0.000 1.135 345 R CA 1.375 57.365 56.100 -0.183 0.000 0.967 345 R CB -0.426 29.707 30.300 -0.279 0.000 0.861 345 R HN 0.585 nan 8.270 nan 0.000 0.442 346 Y N -0.089 120.166 120.300 -0.074 0.000 2.578 346 Y HA -0.027 4.523 4.550 0.000 0.000 0.297 346 Y C 0.895 176.760 175.900 -0.058 0.000 1.176 346 Y CA -0.185 57.864 58.100 -0.085 0.000 1.315 346 Y CB 0.302 38.740 38.460 -0.036 0.000 1.031 346 Y HN 0.015 nan 8.280 nan 0.000 0.524 347 S N 0.402 116.153 115.700 0.086 0.000 3.978 347 S HA -0.121 4.349 4.470 0.000 0.000 0.402 347 S C -0.268 174.367 174.600 0.058 0.000 0.927 347 S CA 0.276 58.511 58.200 0.058 0.000 1.197 347 S CB -1.365 61.860 63.200 0.042 0.000 0.855 347 S HN 0.637 nan 8.310 nan 0.000 0.524 348 A N 1.990 124.863 122.820 0.089 0.000 3.455 348 A HA 0.542 4.862 4.320 0.000 0.000 0.225 348 A C -2.322 175.397 177.584 0.224 0.000 1.052 348 A CA -0.438 51.692 52.037 0.156 0.000 1.005 348 A CB 0.836 19.977 19.000 0.234 0.000 1.318 348 A HN 0.453 nan 8.150 nan 0.000 0.639 349 P HA 0.286 nan 4.420 nan 0.000 0.272 349 P C -2.884 174.476 177.300 0.101 0.000 1.230 349 P CA -0.934 62.229 63.100 0.105 0.000 0.788 349 P CB 0.431 32.124 31.700 -0.011 0.000 0.949 350 P HA 0.087 nan 4.420 nan 0.000 0.282 350 P C 0.880 178.118 177.300 -0.103 0.000 1.249 350 P CA 0.049 63.050 63.100 -0.164 0.000 0.806 350 P CB 0.831 32.430 31.700 -0.168 0.000 0.984 351 G N 2.542 111.271 108.800 -0.118 0.000 2.454 351 G HA2 -0.046 3.914 3.960 0.000 0.000 0.214 351 G HA3 -0.046 3.914 3.960 0.000 0.000 0.214 351 G C -0.001 174.859 174.900 -0.066 0.000 1.217 351 G CA 0.491 45.551 45.100 -0.067 0.000 0.799 351 G HN 0.493 nan 8.290 nan 0.000 0.538 352 D N 0.684 121.035 120.400 -0.082 0.000 2.375 352 D HA 0.403 5.043 4.640 0.000 0.000 0.247 352 D C -2.635 173.627 176.300 -0.063 0.000 1.061 352 D CA -1.251 52.717 54.000 -0.055 0.000 0.834 352 D CB 1.894 42.670 40.800 -0.039 0.000 1.247 352 D HN -0.051 nan 8.370 nan 0.000 0.489 353 P HA 0.097 nan 4.420 nan 0.000 0.265 353 P C -2.289 175.020 177.300 0.014 0.000 1.193 353 P CA -0.690 62.412 63.100 0.003 0.000 0.765 353 P CB -0.153 31.553 31.700 0.009 0.000 0.823 354 P HA 0.077 nan 4.420 nan 0.000 0.272 354 P C -0.876 176.421 177.300 -0.005 0.000 1.223 354 P CA 0.065 63.212 63.100 0.077 0.000 0.784 354 P CB 0.738 32.540 31.700 0.169 0.000 0.923 355 Q N 1.813 121.625 119.800 0.020 0.000 2.337 355 Q HA 0.434 4.774 4.340 0.000 0.000 0.270 355 Q C -2.439 173.561 176.000 -0.000 0.000 1.043 355 Q CA -2.099 53.703 55.803 -0.001 0.000 0.794 355 Q CB 1.558 30.308 28.738 0.021 0.000 1.281 355 Q HN 0.336 nan 8.270 nan 0.000 0.446 356 P HA 0.161 nan 4.420 nan 0.000 0.268 356 P C -0.586 176.610 177.300 -0.174 0.000 1.205 356 P CA 0.050 63.082 63.100 -0.113 0.000 0.771 356 P CB 0.710 32.366 31.700 -0.073 0.000 0.858 357 E N 1.183 121.191 120.200 -0.320 0.000 2.272 357 E HA 0.368 4.718 4.350 0.000 0.000 0.269 357 E C -1.111 175.262 176.600 -0.378 0.000 0.877 357 E CA -0.433 55.828 56.400 -0.231 0.000 0.755 357 E CB 0.926 30.596 29.700 -0.051 0.000 1.192 357 E HN 0.342 nan 8.360 nan 0.000 0.422 358 Y N 0.683 121.134 120.300 0.251 0.000 2.612 358 Y HA 0.335 4.885 4.550 0.000 0.000 0.250 358 Y C -0.085 176.080 175.900 0.442 0.000 1.175 358 Y CA -0.528 57.783 58.100 0.352 0.000 1.205 358 Y CB 1.098 39.661 38.460 0.171 0.000 1.201 358 Y HN 0.272 nan 8.280 nan 0.000 0.532 359 D N 0.425 120.988 120.400 0.272 0.000 2.575 359 D HA 0.107 4.747 4.640 0.000 0.000 0.250 359 D C 0.583 176.625 176.300 -0.431 0.000 1.279 359 D CA -0.371 53.640 54.000 0.019 0.000 0.925 359 D CB 1.634 42.454 40.800 0.033 0.000 1.261 359 D HN 0.111 nan 8.370 nan 0.000 0.567 360 L N 4.258 124.835 121.223 -1.076 0.000 2.081 360 L HA -0.126 4.214 4.340 0.000 0.000 0.212 360 L C 1.584 178.097 176.870 -0.595 0.000 1.080 360 L CA 2.008 56.068 54.840 -1.300 0.000 0.754 360 L CB -0.261 40.842 42.059 -1.594 0.000 0.893 360 L HN 0.524 nan 8.230 nan 0.000 0.433 361 E N -0.807 119.160 120.200 -0.389 0.000 2.409 361 E HA -0.133 4.217 4.350 0.000 0.000 0.198 361 E C 1.893 178.393 176.600 -0.167 0.000 1.024 361 E CA 0.656 56.918 56.400 -0.229 0.000 0.861 361 E CB -0.146 29.466 29.700 -0.148 0.000 0.788 361 E HN 0.554 nan 8.360 nan 0.000 0.521 362 L N 0.892 122.016 121.223 -0.166 0.000 2.592 362 L HA 0.193 4.533 4.340 0.000 0.000 0.227 362 L C 0.714 177.526 176.870 -0.097 0.000 1.127 362 L CA -0.045 54.737 54.840 -0.097 0.000 0.884 362 L CB 0.139 42.167 42.059 -0.052 0.000 1.065 362 L HN 0.028 nan 8.230 nan 0.000 0.457 363 I N -0.062 120.419 120.570 -0.149 0.000 2.353 363 I HA 0.133 4.304 4.170 0.000 0.000 0.293 363 I C 0.006 176.069 176.117 -0.090 0.000 0.992 363 I CA 0.089 61.319 61.300 -0.116 0.000 1.268 363 I CB 1.619 39.520 38.000 -0.164 0.000 1.387 363 I HN -0.120 nan 8.210 nan 0.000 0.478 364 T N 4.804 119.329 114.554 -0.049 0.000 2.788 364 T HA 0.378 4.728 4.350 0.000 0.000 0.296 364 T C -0.273 174.416 174.700 -0.018 0.000 1.009 364 T CA -0.591 61.492 62.100 -0.028 0.000 0.949 364 T CB 0.783 69.643 68.868 -0.013 0.000 0.946 364 T HN 0.707 nan 8.240 nan 0.000 0.453 365 S N 1.424 117.112 115.700 -0.019 0.000 2.557 365 S HA 0.451 4.921 4.470 0.000 0.000 0.291 365 S C 0.302 174.903 174.600 0.001 0.000 1.116 365 S CA -0.712 57.477 58.200 -0.018 0.000 0.992 365 S CB 0.943 64.115 63.200 -0.046 0.000 1.028 365 S HN 0.900 nan 8.310 nan 0.000 0.484 366 C N 2.840 122.143 119.300 0.005 0.000 4.454 366 C HA -0.183 4.277 4.460 0.000 0.000 0.301 366 C C 1.156 176.196 174.990 0.083 0.000 1.366 366 C CA 0.857 59.889 59.018 0.024 0.000 2.016 366 C CB -3.089 24.644 27.740 -0.011 0.000 1.253 366 C HN 1.874 nan 8.230 nan 0.000 0.770 367 S N -0.663 115.081 115.700 0.073 0.000 3.445 367 S HA -0.194 4.276 4.470 0.000 0.000 0.319 367 S C 0.163 174.835 174.600 0.119 0.000 1.209 367 S CA 1.238 59.492 58.200 0.090 0.000 0.934 367 S CB -0.994 62.276 63.200 0.117 0.000 0.999 367 S HN 1.144 nan 8.310 nan 0.000 0.582 368 S N 1.567 117.332 115.700 0.109 0.000 2.595 368 S HA 0.747 5.217 4.470 0.000 0.000 0.281 368 S C -0.506 174.121 174.600 0.046 0.000 1.117 368 S CA -1.021 57.261 58.200 0.137 0.000 0.873 368 S CB 1.824 65.169 63.200 0.241 0.000 1.108 368 S HN 0.573 nan 8.310 nan 0.000 0.477 369 N N -0.453 118.261 118.700 0.024 0.000 2.284 369 N HA 0.496 5.236 4.740 0.000 0.000 0.289 369 N C -1.437 174.013 175.510 -0.100 0.000 1.179 369 N CA -0.580 52.437 53.050 -0.054 0.000 0.774 369 N CB 1.251 39.698 38.487 -0.066 0.000 1.548 369 N HN 0.334 nan 8.380 nan 0.000 0.473 370 V N 0.525 120.345 119.914 -0.157 0.000 2.649 370 V HA 0.428 4.548 4.120 0.000 0.000 0.292 370 V C 0.454 176.407 176.094 -0.235 0.000 1.055 370 V CA -0.016 62.164 62.300 -0.199 0.000 1.023 370 V CB 1.028 32.731 31.823 -0.201 0.000 0.992 370 V HN 0.870 nan 8.190 nan 0.000 0.480 371 S N 2.771 118.239 115.700 -0.386 0.000 2.685 371 S HA 0.824 5.294 4.470 0.000 0.000 0.282 371 S C -1.259 173.155 174.600 -0.311 0.000 1.159 371 S CA -0.499 57.484 58.200 -0.361 0.000 0.833 371 S CB 2.089 65.028 63.200 -0.435 0.000 1.151 371 S HN 0.423 nan 8.310 nan 0.000 0.485 372 V N 1.415 121.258 119.914 -0.119 0.000 2.680 372 V HA 0.969 5.089 4.120 0.000 0.000 0.309 372 V C 0.227 176.285 176.094 -0.060 0.000 1.052 372 V CA -0.242 61.966 62.300 -0.153 0.000 0.908 372 V CB 1.105 32.742 31.823 -0.310 0.000 1.001 372 V HN 1.126 nan 8.190 nan 0.000 0.431 373 A N 2.668 125.336 122.820 -0.254 0.000 2.524 373 A HA 0.905 5.225 4.320 0.000 0.000 0.289 373 A C -1.233 175.935 177.584 -0.693 0.000 1.248 373 A CA -0.600 51.157 52.037 -0.466 0.000 0.712 373 A CB 1.858 20.408 19.000 -0.750 0.000 1.312 373 A HN 0.855 nan 8.150 nan 0.000 0.441 374 H N 0.348 119.109 119.070 -0.514 0.000 2.717 374 H HA 0.357 4.914 4.556 0.000 0.000 0.366 374 H C -1.079 174.036 175.328 -0.355 0.000 1.132 374 H CA -0.403 55.388 56.048 -0.429 0.000 1.180 374 H CB 1.925 31.398 29.762 -0.483 0.000 1.678 374 H HN 0.929 nan 8.280 nan 0.000 0.537 375 D N 0.770 121.139 120.400 -0.051 0.000 2.414 375 D HA 0.129 4.769 4.640 0.000 0.000 0.259 375 D C 1.287 177.712 176.300 0.208 0.000 1.269 375 D CA -0.392 53.637 54.000 0.048 0.000 1.028 375 D CB 0.379 41.188 40.800 0.015 0.000 1.093 375 D HN 0.461 nan 8.370 nan 0.000 0.545 376 A N -0.517 122.400 122.820 0.162 0.000 2.070 376 A HA -0.100 4.220 4.320 0.000 0.000 0.220 376 A C 1.935 179.584 177.584 0.109 0.000 1.159 376 A CA 1.455 53.566 52.037 0.124 0.000 0.656 376 A CB -0.672 18.360 19.000 0.053 0.000 0.800 376 A HN 0.436 nan 8.150 nan 0.000 0.453 377 S N -2.034 113.724 115.700 0.097 0.000 2.556 377 S HA 0.389 4.859 4.470 0.000 0.000 0.216 377 S C 1.367 176.015 174.600 0.080 0.000 0.970 377 S CA 0.690 58.931 58.200 0.070 0.000 0.912 377 S CB 0.335 63.563 63.200 0.047 0.000 0.790 377 S HN 1.547 nan 8.310 nan 0.000 0.504 378 G N 2.050 110.924 108.800 0.124 0.000 2.175 378 G HA2 -0.269 3.691 3.960 0.000 0.000 0.244 378 G HA3 -0.269 3.691 3.960 0.000 0.000 0.244 378 G C 0.068 175.065 174.900 0.162 0.000 0.982 378 G CA 0.047 45.209 45.100 0.104 0.000 0.641 378 G HN 0.481 nan 8.290 nan 0.000 0.527 379 K N 1.074 121.532 120.400 0.097 0.000 2.350 379 K HA 0.396 4.716 4.320 0.000 0.000 0.279 379 K C 0.812 177.376 176.600 -0.060 0.000 1.027 379 K CA -0.621 55.692 56.287 0.043 0.000 0.969 379 K CB 0.275 32.780 32.500 0.008 0.000 0.954 379 K HN 0.321 nan 8.250 nan 0.000 0.474 380 R N 1.895 122.294 120.500 -0.169 0.000 2.537 380 R HA 0.133 4.474 4.340 0.000 0.000 0.280 380 R C -0.722 175.318 176.300 -0.435 0.000 1.058 380 R CA -0.278 55.517 56.100 -0.509 0.000 1.057 380 R CB 0.752 30.777 30.300 -0.460 0.000 0.973 380 R HN 0.264 nan 8.270 nan 0.000 0.438 381 V N 4.645 124.251 119.914 -0.515 0.000 2.525 381 V HA 0.242 4.362 4.120 0.000 0.000 0.299 381 V C -0.947 174.984 176.094 -0.271 0.000 1.034 381 V CA -0.920 61.200 62.300 -0.301 0.000 0.863 381 V CB 1.230 32.940 31.823 -0.189 0.000 0.999 381 V HN 0.596 nan 8.190 nan 0.000 0.423 382 Y N 5.184 125.474 120.300 -0.016 0.000 2.299 382 Y HA 0.667 5.217 4.550 0.000 0.000 0.326 382 Y C 0.036 175.997 175.900 0.102 0.000 1.164 382 Y CA -0.160 57.935 58.100 -0.008 0.000 1.234 382 Y CB 1.247 39.663 38.460 -0.073 0.000 1.219 382 Y HN 0.748 nan 8.280 nan 0.000 0.497 383 Y N -0.595 119.760 120.300 0.092 0.000 2.656 383 Y HA 0.694 5.244 4.550 0.000 0.000 0.334 383 Y C -2.140 173.811 175.900 0.086 0.000 1.179 383 Y CA -2.048 56.088 58.100 0.060 0.000 1.050 383 Y CB 0.685 39.149 38.460 0.006 0.000 1.308 383 Y HN 0.417 nan 8.280 nan 0.000 0.456 384 L N 2.330 123.628 121.223 0.125 0.000 2.325 384 L HA 0.759 5.099 4.340 0.000 0.000 0.279 384 L C 0.246 177.322 176.870 0.344 0.000 1.054 384 L CA -0.366 54.541 54.840 0.112 0.000 0.804 384 L CB 1.816 43.965 42.059 0.149 0.000 1.200 384 L HN 0.996 nan 8.230 nan 0.000 0.436 385 T N 2.082 116.797 114.554 0.267 0.000 2.681 385 T HA 0.790 5.141 4.350 0.000 0.000 0.296 385 T C -1.525 173.284 174.700 0.183 0.000 1.157 385 T CA -0.657 61.645 62.100 0.336 0.000 1.025 385 T CB 1.711 70.770 68.868 0.320 0.000 1.441 385 T HN 0.819 nan 8.240 nan 0.000 0.504 386 R N 0.476 121.027 120.500 0.086 0.000 2.741 386 R HA 0.410 4.750 4.340 0.000 0.000 0.276 386 R C -1.673 174.479 176.300 -0.246 0.000 1.028 386 R CA -0.970 55.084 56.100 -0.076 0.000 0.865 386 R CB 0.299 30.521 30.300 -0.129 0.000 1.268 386 R HN 0.552 nan 8.270 nan 0.000 0.475 387 D N 2.285 122.540 120.400 -0.242 0.000 2.450 387 D HA 0.041 4.681 4.640 0.000 0.000 0.247 387 D C -1.329 174.630 176.300 -0.569 0.000 1.162 387 D CA -1.182 52.625 54.000 -0.322 0.000 0.879 387 D CB 1.234 41.921 40.800 -0.188 0.000 1.163 387 D HN 0.373 nan 8.370 nan 0.000 0.472 388 P HA -0.010 nan 4.420 nan 0.000 0.249 388 P C 1.094 178.060 177.300 -0.557 0.000 1.241 388 P CA 0.108 62.527 63.100 -1.135 0.000 0.781 388 P CB 0.272 31.073 31.700 -1.499 0.000 1.088 389 T N -0.017 114.332 114.554 -0.342 0.000 2.607 389 T HA -0.138 4.213 4.350 0.000 0.000 0.267 389 T C 1.777 176.401 174.700 -0.126 0.000 1.049 389 T CA 2.430 64.424 62.100 -0.177 0.000 1.162 389 T CB -1.078 67.732 68.868 -0.097 0.000 0.863 389 T HN 0.216 nan 8.240 nan 0.000 0.424 390 T N 2.126 116.613 114.554 -0.111 0.000 2.737 390 T HA -0.044 4.306 4.350 0.000 0.000 0.265 390 T C -0.542 174.104 174.700 -0.089 0.000 1.038 390 T CA 1.134 63.191 62.100 -0.072 0.000 1.144 390 T CB -1.203 67.657 68.868 -0.014 0.000 0.866 390 T HN 0.325 nan 8.240 nan 0.000 0.434 391 P HA 0.006 nan 4.420 nan 0.000 0.216 391 P C 1.457 178.783 177.300 0.042 0.000 1.150 391 P CA 0.906 64.004 63.100 -0.003 0.000 0.837 391 P CB -0.163 31.520 31.700 -0.028 0.000 0.786 392 L N -1.486 119.710 121.223 -0.047 0.000 2.109 392 L HA -0.090 4.250 4.340 0.000 0.000 0.207 392 L C 2.444 179.331 176.870 0.028 0.000 1.086 392 L CA 1.332 56.167 54.840 -0.009 0.000 0.760 392 L CB -1.111 40.900 42.059 -0.081 0.000 0.910 392 L HN -0.058 nan 8.230 nan 0.000 0.437 393 A N 0.262 123.086 122.820 0.006 0.000 1.902 393 A HA -0.189 4.131 4.320 0.000 0.000 0.217 393 A C 2.385 180.015 177.584 0.075 0.000 1.181 393 A CA 1.380 53.438 52.037 0.036 0.000 0.623 393 A CB -0.414 18.579 19.000 -0.011 0.000 0.818 393 A HN 0.314 nan 8.150 nan 0.000 0.443 394 R N -0.630 119.891 120.500 0.035 0.000 2.092 394 R HA -0.006 4.335 4.340 0.000 0.000 0.231 394 R C 2.473 178.926 176.300 0.256 0.000 1.119 394 R CA 1.033 57.181 56.100 0.081 0.000 0.970 394 R CB -0.421 29.876 30.300 -0.005 0.000 0.864 394 R HN 0.506 nan 8.270 nan 0.000 0.440 395 A N 1.427 124.411 122.820 0.274 0.000 1.902 395 A HA -0.116 4.204 4.320 0.000 0.000 0.217 395 A C 2.375 180.161 177.584 0.337 0.000 1.181 395 A CA 1.699 54.001 52.037 0.443 0.000 0.623 395 A CB -0.577 18.687 19.000 0.441 0.000 0.818 395 A HN 0.382 nan 8.150 nan 0.000 0.443 396 A N -1.340 121.592 122.820 0.187 0.000 1.902 396 A HA -0.171 4.149 4.320 0.000 0.000 0.217 396 A C 2.105 179.808 177.584 0.200 0.000 1.181 396 A CA 1.338 53.453 52.037 0.129 0.000 0.623 396 A CB -0.859 18.205 19.000 0.106 0.000 0.818 396 A HN 0.848 nan 8.150 nan 0.000 0.443 397 W N 1.080 122.422 121.300 0.069 0.000 2.355 397 W HA -0.165 4.495 4.660 0.000 0.000 0.309 397 W C 1.644 178.213 176.519 0.083 0.000 1.206 397 W CA 1.979 59.357 57.345 0.055 0.000 1.284 397 W CB -0.289 29.184 29.460 0.022 0.000 1.145 397 W HN 0.548 nan 8.180 nan 0.000 0.502 398 E N -0.670 119.766 120.200 0.393 0.000 2.338 398 E HA -0.140 4.210 4.350 0.000 0.000 0.197 398 E C 1.966 178.710 176.600 0.241 0.000 1.007 398 E CA 1.576 58.178 56.400 0.336 0.000 0.849 398 E CB -0.155 29.826 29.700 0.469 0.000 0.774 398 E HN 0.140 nan 8.360 nan 0.000 0.506 399 T N 0.299 114.982 114.554 0.215 0.000 2.937 399 T HA 0.016 4.366 4.350 0.000 0.000 0.260 399 T C 1.929 176.627 174.700 -0.003 0.000 1.051 399 T CA 0.942 63.124 62.100 0.137 0.000 1.141 399 T CB 0.065 69.036 68.868 0.171 0.000 0.879 399 T HN 0.215 nan 8.240 nan 0.000 0.459 400 A N 1.321 124.091 122.820 -0.084 0.000 1.975 400 A HA 0.199 4.520 4.320 0.000 0.000 0.215 400 A C 1.249 178.626 177.584 -0.346 0.000 1.170 400 A CA 0.510 52.425 52.037 -0.203 0.000 0.656 400 A CB 0.076 18.937 19.000 -0.232 0.000 0.821 400 A HN 0.334 nan 8.150 nan 0.000 0.449 401 R N 0.161 120.413 120.500 -0.414 0.000 2.711 401 R HA 0.411 4.751 4.340 0.000 0.000 0.284 401 R C -1.212 174.915 176.300 -0.287 0.000 0.968 401 R CA -0.827 54.982 56.100 -0.486 0.000 0.924 401 R CB 0.879 30.814 30.300 -0.610 0.000 1.162 401 R HN 0.416 nan 8.270 nan 0.000 0.465 402 H N 1.817 120.859 119.070 -0.046 0.000 2.955 402 H HA 0.106 4.662 4.556 0.000 0.000 0.290 402 H C 0.049 175.400 175.328 0.037 0.000 1.047 402 H CA 0.161 56.215 56.048 0.010 0.000 1.484 402 H CB 0.349 30.112 29.762 0.002 0.000 1.501 402 H HN 0.568 nan 8.280 nan 0.000 0.521 403 T N 0.511 115.172 114.554 0.177 0.000 2.886 403 T HA 0.215 4.565 4.350 0.000 0.000 0.292 403 T C -1.787 172.980 174.700 0.112 0.000 1.012 403 T CA -1.781 60.414 62.100 0.158 0.000 0.982 403 T CB 2.629 71.634 68.868 0.228 0.000 1.018 403 T HN 0.238 nan 8.240 nan 0.000 0.451 404 P HA 0.087 nan 4.420 nan 0.000 0.237 404 P C 0.086 177.383 177.300 -0.004 0.000 1.178 404 P CA 0.056 63.144 63.100 -0.021 0.000 0.766 404 P CB -0.000 31.634 31.700 -0.110 0.000 0.876 405 V N 2.107 122.042 119.914 0.035 0.000 2.465 405 V HA 0.217 4.337 4.120 0.000 0.000 0.279 405 V C 0.587 176.697 176.094 0.027 0.000 1.045 405 V CA -0.351 61.959 62.300 0.016 0.000 0.938 405 V CB 0.921 32.762 31.823 0.030 0.000 0.986 405 V HN 0.073 nan 8.190 nan 0.000 0.467 406 N N 2.635 121.278 118.700 -0.096 0.000 2.813 406 N HA 0.078 4.818 4.740 0.000 0.000 0.282 406 N C 1.302 176.574 175.510 -0.396 0.000 1.748 406 N CA 0.154 53.028 53.050 -0.293 0.000 0.860 406 N CB 1.513 39.682 38.487 -0.531 0.000 1.204 406 N HN 0.799 nan 8.380 nan 0.000 0.490 407 S N 0.119 115.742 115.700 -0.129 0.000 2.419 407 S HA -0.115 4.355 4.470 0.000 0.000 0.233 407 S C 1.854 176.420 174.600 -0.056 0.000 1.016 407 S CA 0.198 58.355 58.200 -0.072 0.000 0.974 407 S CB -0.468 62.739 63.200 0.013 0.000 0.786 407 S HN 0.702 nan 8.310 nan 0.000 0.492 408 W N 1.182 122.409 121.300 -0.121 0.000 2.363 408 W HA -0.032 4.628 4.660 0.000 0.000 0.296 408 W C 1.679 178.090 176.519 -0.179 0.000 1.212 408 W CA 0.471 57.687 57.345 -0.215 0.000 1.260 408 W CB -1.089 27.895 29.460 -0.794 0.000 1.131 408 W HN 0.364 nan 8.180 nan 0.000 0.530 409 L N 2.836 123.439 121.223 -1.033 0.000 2.056 409 L HA 0.142 4.482 4.340 0.000 0.000 0.207 409 L C 2.733 179.411 176.870 -0.320 0.000 1.078 409 L CA 2.786 57.096 54.840 -0.882 0.000 0.749 409 L CB -1.390 39.913 42.059 -1.260 0.000 0.901 409 L HN 0.058 nan 8.230 nan 0.000 0.433 410 G N -0.520 108.116 108.800 -0.273 0.000 2.469 410 G HA2 -0.338 3.623 3.960 0.000 0.000 0.219 410 G HA3 -0.338 3.623 3.960 0.000 0.000 0.219 410 G C 1.488 176.406 174.900 0.029 0.000 1.150 410 G CA 0.942 45.977 45.100 -0.108 0.000 0.763 410 G HN 0.451 nan 8.290 nan 0.000 0.561 411 N N 0.493 119.264 118.700 0.119 0.000 2.142 411 N HA -0.005 4.736 4.740 0.000 0.000 0.186 411 N C 2.274 177.925 175.510 0.236 0.000 1.023 411 N CA 0.653 53.889 53.050 0.308 0.000 0.852 411 N CB -0.192 38.550 38.487 0.425 0.000 0.998 411 N HN 0.339 nan 8.380 nan 0.000 0.424 412 I N 0.979 121.658 120.570 0.180 0.000 2.226 412 I HA -0.223 3.948 4.170 0.000 0.000 0.245 412 I C 2.017 178.200 176.117 0.110 0.000 1.100 412 I CA 0.897 62.289 61.300 0.155 0.000 1.374 412 I CB -0.126 38.030 38.000 0.260 0.000 1.057 412 I HN 0.055 nan 8.210 nan 0.000 0.413 413 I N -0.100 120.535 120.570 0.109 0.000 2.202 413 I HA -0.285 3.885 4.170 0.000 0.000 0.242 413 I C 2.449 178.682 176.117 0.193 0.000 1.091 413 I CA 1.200 62.589 61.300 0.149 0.000 1.368 413 I CB -0.206 37.869 38.000 0.125 0.000 1.058 413 I HN 0.207 nan 8.210 nan 0.000 0.410 414 M N -0.782 118.859 119.600 0.068 0.000 2.288 414 M HA -0.089 4.392 4.480 0.000 0.000 0.266 414 M C 1.195 177.369 176.300 -0.211 0.000 1.072 414 M CA 1.628 56.887 55.300 -0.068 0.000 1.132 414 M CB -0.812 31.634 32.600 -0.256 0.000 1.386 414 M HN 0.217 nan 8.290 nan 0.000 0.432 415 Y N -0.482 119.815 120.300 -0.005 0.000 2.720 415 Y HA 0.430 4.980 4.550 0.000 0.000 0.277 415 Y C 1.879 177.523 175.900 -0.427 0.000 1.144 415 Y CA -0.289 57.685 58.100 -0.210 0.000 1.221 415 Y CB -0.438 37.821 38.460 -0.335 0.000 1.163 415 Y HN 0.181 nan 8.280 nan 0.000 0.537 416 A N 1.126 123.760 122.820 -0.311 0.000 1.958 416 A HA -0.197 4.123 4.320 0.000 0.000 0.221 416 A C -0.483 176.821 177.584 -0.466 0.000 1.178 416 A CA 1.774 53.589 52.037 -0.370 0.000 0.642 416 A CB -1.402 17.396 19.000 -0.336 0.000 0.816 416 A HN 0.301 nan 8.150 nan 0.000 0.453 417 P HA 0.011 nan 4.420 nan 0.000 0.229 417 P C 0.777 177.769 177.300 -0.514 0.000 1.160 417 P CA 1.257 64.052 63.100 -0.510 0.000 0.777 417 P CB -0.400 31.004 31.700 -0.493 0.000 0.814 418 T N -1.439 112.826 114.554 -0.482 0.000 2.900 418 T HA 0.097 4.447 4.350 0.000 0.000 0.307 418 T C 1.275 175.573 174.700 -0.670 0.000 1.065 418 T CA -0.461 61.319 62.100 -0.534 0.000 1.105 418 T CB 0.427 68.777 68.868 -0.862 0.000 0.979 418 T HN -0.043 nan 8.240 nan 0.000 0.544 419 L N 0.765 121.516 121.223 -0.786 0.000 2.217 419 L HA 0.161 4.501 4.340 0.000 0.000 0.211 419 L C 2.364 178.930 176.870 -0.507 0.000 1.107 419 L CA 0.678 55.015 54.840 -0.839 0.000 0.783 419 L CB -1.214 40.134 42.059 -1.185 0.000 0.919 419 L HN 0.875 nan 8.230 nan 0.000 0.442 420 W N 0.246 121.328 121.300 -0.362 0.000 2.453 420 W HA 0.211 4.871 4.660 0.000 0.000 0.289 420 W C 2.116 178.492 176.519 -0.238 0.000 1.215 420 W CA 0.566 57.732 57.345 -0.297 0.000 1.297 420 W CB -1.168 28.152 29.460 -0.233 0.000 1.113 420 W HN 0.279 nan 8.180 nan 0.000 0.551 421 A N 1.933 124.363 122.820 -0.650 0.000 1.898 421 A HA -0.126 4.194 4.320 0.000 0.000 0.216 421 A C 2.255 179.709 177.584 -0.217 0.000 1.181 421 A CA 1.734 53.520 52.037 -0.418 0.000 0.620 421 A CB -0.744 17.860 19.000 -0.659 0.000 0.819 421 A HN 0.299 nan 8.150 nan 0.000 0.442 422 R N -0.966 119.320 120.500 -0.356 0.000 2.057 422 R HA 0.042 4.382 4.340 0.000 0.000 0.229 422 R C 2.250 178.362 176.300 -0.313 0.000 1.136 422 R CA 1.714 57.615 56.100 -0.332 0.000 0.952 422 R CB -0.359 29.618 30.300 -0.539 0.000 0.848 422 R HN 0.512 nan 8.270 nan 0.000 0.430 423 M N -0.245 119.027 119.600 -0.546 0.000 2.288 423 M HA -0.002 4.478 4.480 0.000 0.000 0.266 423 M C 1.905 178.140 176.300 -0.110 0.000 1.072 423 M CA 1.432 56.472 55.300 -0.433 0.000 1.132 423 M CB 0.109 32.370 32.600 -0.564 0.000 1.386 423 M HN 0.125 nan 8.290 nan 0.000 0.432 424 I N -0.688 119.676 120.570 -0.343 0.000 2.962 424 I HA -0.086 4.084 4.170 0.000 0.000 0.246 424 I C 2.124 178.085 176.117 -0.259 0.000 1.091 424 I CA 0.311 61.164 61.300 -0.745 0.000 1.469 424 I CB -0.280 37.213 38.000 -0.845 0.000 1.324 424 I HN 0.127 nan 8.210 nan 0.000 0.461 425 L N 0.438 121.676 121.223 0.025 0.000 1.989 425 L HA -0.239 4.101 4.340 0.000 0.000 0.211 425 L C 2.736 179.899 176.870 0.488 0.000 1.071 425 L CA 1.773 56.813 54.840 0.334 0.000 0.749 425 L CB -0.511 41.785 42.059 0.395 0.000 0.890 425 L HN 0.293 nan 8.230 nan 0.000 0.431 426 M N -0.911 118.940 119.600 0.420 0.000 2.080 426 M HA -0.196 4.284 4.480 0.000 0.000 0.260 426 M C 2.319 179.121 176.300 0.836 0.000 1.068 426 M CA 2.109 57.768 55.300 0.599 0.000 1.109 426 M CB -0.689 32.080 32.600 0.282 0.000 1.342 426 M HN 0.284 nan 8.290 nan 0.000 0.405 427 T N -1.307 113.713 114.554 0.777 0.000 2.674 427 T HA -0.229 4.121 4.350 0.000 0.000 0.265 427 T C 1.649 176.632 174.700 0.473 0.000 1.039 427 T CA 1.954 64.492 62.100 0.729 0.000 1.150 427 T CB -0.570 68.767 68.868 0.782 0.000 0.864 427 T HN 0.481 nan 8.240 nan 0.000 0.427 428 H N 0.366 119.603 119.070 0.278 0.000 2.319 428 H HA -0.028 4.529 4.556 0.000 0.000 0.299 428 H C 1.810 176.983 175.328 -0.258 0.000 1.092 428 H CA 1.674 57.729 56.048 0.012 0.000 1.302 428 H CB -0.544 29.081 29.762 -0.229 0.000 1.373 428 H HN 0.398 nan 8.280 nan 0.000 0.497 429 F N -1.245 118.669 119.950 -0.059 0.000 2.259 429 F HA -0.025 4.502 4.527 0.000 0.000 0.298 429 F C 1.895 177.529 175.800 -0.276 0.000 1.088 429 F CA 0.523 58.277 58.000 -0.410 0.000 1.358 429 F CB -0.307 38.197 39.000 -0.827 0.000 1.040 429 F HN 0.142 nan 8.300 nan 0.000 0.505 430 F N -0.693 119.349 119.950 0.153 0.000 2.325 430 F HA -0.168 4.359 4.527 0.000 0.000 0.299 430 F C 2.668 178.474 175.800 0.011 0.000 1.090 430 F CA 1.309 59.400 58.000 0.151 0.000 1.392 430 F CB -0.709 38.464 39.000 0.288 0.000 1.053 430 F HN -0.113 nan 8.300 nan 0.000 0.521 431 S N 0.228 115.977 115.700 0.082 0.000 2.355 431 S HA -0.137 4.334 4.470 0.000 0.000 0.222 431 S C 2.182 176.713 174.600 -0.114 0.000 1.031 431 S CA 1.140 59.316 58.200 -0.039 0.000 0.993 431 S CB -0.292 62.861 63.200 -0.079 0.000 0.859 431 S HN 0.162 nan 8.310 nan 0.000 0.453 432 I N 1.877 122.302 120.570 -0.242 0.000 2.179 432 I HA -0.121 4.049 4.170 0.000 0.000 0.242 432 I C 2.297 178.349 176.117 -0.108 0.000 1.088 432 I CA 1.195 62.354 61.300 -0.236 0.000 1.357 432 I CB -1.462 36.310 38.000 -0.379 0.000 1.051 432 I HN 0.361 nan 8.210 nan 0.000 0.409 433 L N -0.071 121.096 121.223 -0.092 0.000 2.131 433 L HA -0.213 4.127 4.340 0.000 0.000 0.210 433 L C 2.635 179.509 176.870 0.005 0.000 1.092 433 L CA 1.095 55.911 54.840 -0.039 0.000 0.759 433 L CB -0.488 41.511 42.059 -0.100 0.000 0.903 433 L HN 0.224 nan 8.230 nan 0.000 0.435 434 L N -0.516 120.718 121.223 0.019 0.000 2.027 434 L HA -0.164 4.176 4.340 0.000 0.000 0.206 434 L C 2.890 179.763 176.870 0.005 0.000 1.074 434 L CA 1.193 56.052 54.840 0.032 0.000 0.745 434 L CB -0.627 41.453 42.059 0.035 0.000 0.898 434 L HN 0.217 nan 8.230 nan 0.000 0.433 435 A N -0.494 122.315 122.820 -0.018 0.000 1.902 435 A HA -0.226 4.094 4.320 0.000 0.000 0.217 435 A C 2.058 179.636 177.584 -0.010 0.000 1.181 435 A CA 1.458 53.482 52.037 -0.022 0.000 0.623 435 A CB -0.408 18.567 19.000 -0.042 0.000 0.818 435 A HN 0.531 nan 8.150 nan 0.000 0.443 436 Q N -0.622 119.174 119.800 -0.007 0.000 2.403 436 Q HA 0.068 4.408 4.340 0.000 0.000 0.203 436 Q C -0.663 175.347 176.000 0.018 0.000 0.932 436 Q CA 0.006 55.814 55.803 0.008 0.000 0.945 436 Q CB 0.310 29.058 28.738 0.017 0.000 1.045 436 Q HN 0.496 nan 8.270 nan 0.000 0.511 437 E N 1.009 121.221 120.200 0.019 0.000 2.252 437 E HA -0.219 4.131 4.350 0.000 0.000 0.218 437 E C -0.122 176.500 176.600 0.037 0.000 1.253 437 E CA 0.608 57.025 56.400 0.028 0.000 0.705 437 E CB -0.947 28.767 29.700 0.023 0.000 1.172 437 E HN 0.518 nan 8.360 nan 0.000 0.369 438 Q N -0.717 119.108 119.800 0.042 0.000 2.159 438 Q HA 0.205 4.545 4.340 0.000 0.000 0.217 438 Q C 2.089 178.126 176.000 0.060 0.000 0.818 438 Q CA -0.186 55.650 55.803 0.054 0.000 1.008 438 Q CB 0.477 29.255 28.738 0.067 0.000 1.148 438 Q HN 0.418 nan 8.270 nan 0.000 0.491 439 L N 0.457 121.717 121.223 0.062 0.000 2.081 439 L HA -0.220 4.120 4.340 0.000 0.000 0.212 439 L C 1.229 178.152 176.870 0.088 0.000 1.080 439 L CA 1.467 56.358 54.840 0.084 0.000 0.754 439 L CB -0.062 42.070 42.059 0.122 0.000 0.893 439 L HN 0.126 nan 8.230 nan 0.000 0.433 440 E N -0.601 119.643 120.200 0.074 0.000 2.479 440 E HA 0.014 4.364 4.350 0.000 0.000 0.193 440 E C 0.405 177.043 176.600 0.063 0.000 1.049 440 E CA 0.123 56.564 56.400 0.068 0.000 0.870 440 E CB 0.134 29.868 29.700 0.057 0.000 0.944 440 E HN 0.163 nan 8.360 nan 0.000 0.492 441 K N 1.333 121.772 120.400 0.065 0.000 2.248 441 K HA 0.468 4.788 4.320 0.000 0.000 0.281 441 K C -0.442 176.198 176.600 0.067 0.000 1.054 441 K CA -0.454 55.871 56.287 0.064 0.000 0.903 441 K CB 0.762 33.301 32.500 0.065 0.000 1.077 441 K HN 0.026 nan 8.250 nan 0.000 0.474 442 A N 4.964 127.821 122.820 0.061 0.000 2.445 442 A HA 0.349 4.669 4.320 0.000 0.000 0.242 442 A C -0.546 177.067 177.584 0.049 0.000 1.075 442 A CA -0.222 51.850 52.037 0.057 0.000 0.777 442 A CB 0.157 19.195 19.000 0.062 0.000 1.013 442 A HN 0.772 nan 8.150 nan 0.000 0.493 443 L N 1.533 122.768 121.223 0.019 0.000 2.370 443 L HA 0.358 4.698 4.340 0.000 0.000 0.266 443 L C -0.780 176.067 176.870 -0.039 0.000 1.002 443 L CA -1.031 53.801 54.840 -0.013 0.000 0.818 443 L CB 2.024 44.043 42.059 -0.068 0.000 1.325 443 L HN 0.586 nan 8.230 nan 0.000 0.418 444 D N 1.182 121.567 120.400 -0.024 0.000 2.390 444 D HA 0.221 4.861 4.640 0.000 0.000 0.249 444 D C -0.738 175.499 176.300 -0.104 0.000 1.144 444 D CA 0.184 54.172 54.000 -0.019 0.000 0.880 444 D CB 1.599 42.418 40.800 0.031 0.000 1.182 444 D HN 0.357 nan 8.370 nan 0.000 0.451 445 C N 3.402 122.635 119.300 -0.111 0.000 2.608 445 C HA 0.221 4.681 4.460 0.000 0.000 0.325 445 C C -1.059 173.859 174.990 -0.120 0.000 1.147 445 C CA -0.704 58.214 59.018 -0.168 0.000 1.359 445 C CB 1.265 28.860 27.740 -0.241 0.000 1.912 445 C HN 0.440 nan 8.230 nan 0.000 0.466 446 Q N 4.478 124.216 119.800 -0.105 0.000 2.279 446 Q HA 0.592 4.932 4.340 0.000 0.000 0.256 446 Q C -0.752 175.207 176.000 -0.068 0.000 0.937 446 Q CA 0.260 56.030 55.803 -0.055 0.000 0.933 446 Q CB 1.482 30.203 28.738 -0.028 0.000 1.189 446 Q HN 0.749 nan 8.270 nan 0.000 0.417 447 I N 2.240 122.782 120.570 -0.046 0.000 2.512 447 I HA 0.178 4.348 4.170 0.000 0.000 0.287 447 I C -0.284 175.895 176.117 0.104 0.000 1.069 447 I CA -0.716 60.504 61.300 -0.133 0.000 1.056 447 I CB 1.258 38.891 38.000 -0.612 0.000 1.229 447 I HN 0.698 nan 8.210 nan 0.000 0.429 448 Y N 5.115 125.464 120.300 0.082 0.000 3.491 448 Y HA -0.336 4.214 4.550 0.000 0.000 0.215 448 Y C 1.574 177.480 175.900 0.010 0.000 1.219 448 Y CA 0.353 58.519 58.100 0.110 0.000 1.485 448 Y CB -1.047 37.515 38.460 0.170 0.000 1.450 448 Y HN 1.047 nan 8.280 nan 0.000 0.603 449 G N -1.492 107.412 108.800 0.173 0.000 2.241 449 G HA2 -0.164 3.796 3.960 0.000 0.000 0.244 449 G HA3 -0.164 3.796 3.960 0.000 0.000 0.244 449 G C 0.127 175.061 174.900 0.057 0.000 0.998 449 G CA -0.050 45.104 45.100 0.091 0.000 0.621 449 G HN 1.312 nan 8.290 nan 0.000 0.519 450 A N -0.627 122.226 122.820 0.054 0.000 2.295 450 A HA 0.682 5.002 4.320 0.000 0.000 0.318 450 A C 0.575 178.001 177.584 -0.263 0.000 1.134 450 A CA 0.358 52.262 52.037 -0.221 0.000 0.827 450 A CB 1.164 19.883 19.000 -0.469 0.000 1.136 450 A HN 1.556 nan 8.150 nan 0.000 0.493 451 C N 2.118 121.157 119.300 -0.434 0.000 2.369 451 C HA 0.760 5.220 4.460 0.000 0.000 0.358 451 C C -1.042 173.523 174.990 -0.709 0.000 1.274 451 C CA -0.428 58.393 59.018 -0.327 0.000 1.935 451 C CB -1.469 26.233 27.740 -0.062 0.000 2.431 451 C HN 0.629 nan 8.230 nan 0.000 0.545 452 Y N 2.685 122.747 120.300 -0.396 0.000 2.499 452 Y HA 0.459 5.009 4.550 0.000 0.000 0.347 452 Y C 0.422 176.164 175.900 -0.264 0.000 0.987 452 Y CA -0.470 57.364 58.100 -0.444 0.000 1.044 452 Y CB 1.813 39.906 38.460 -0.612 0.000 1.245 452 Y HN 0.565 nan 8.280 nan 0.000 0.461 453 S N 3.516 119.184 115.700 -0.053 0.000 2.423 453 S HA 0.610 5.080 4.470 0.000 0.000 0.317 453 S C -0.882 173.753 174.600 0.059 0.000 1.065 453 S CA -0.391 57.825 58.200 0.027 0.000 1.111 453 S CB -0.709 62.532 63.200 0.069 0.000 0.968 453 S HN 0.506 nan 8.310 nan 0.000 0.474 454 I N 3.695 124.286 120.570 0.035 0.000 2.441 454 I HA 0.384 4.554 4.170 0.000 0.000 0.295 454 I C 0.141 176.291 176.117 0.054 0.000 0.994 454 I CA -0.718 60.621 61.300 0.066 0.000 1.144 454 I CB 1.928 39.950 38.000 0.037 0.000 1.314 454 I HN 0.509 nan 8.210 nan 0.000 0.445 455 E N 7.941 128.191 120.200 0.084 0.000 2.130 455 E HA 0.232 4.582 4.350 0.000 0.000 0.284 455 E C -1.581 175.079 176.600 0.101 0.000 1.018 455 E CA -1.837 54.612 56.400 0.082 0.000 0.817 455 E CB 1.141 30.891 29.700 0.083 0.000 1.078 455 E HN 0.309 nan 8.360 nan 0.000 0.396 456 P HA -0.215 nan 4.420 nan 0.000 0.218 456 P C 0.989 178.432 177.300 0.238 0.000 1.146 456 P CA 1.167 64.348 63.100 0.135 0.000 0.813 456 P CB 0.223 31.963 31.700 0.066 0.000 0.778 457 L N -0.496 120.848 121.223 0.201 0.000 2.456 457 L HA -0.059 4.281 4.340 0.000 0.000 0.224 457 L C 1.464 178.432 176.870 0.163 0.000 1.148 457 L CA 1.017 55.989 54.840 0.220 0.000 0.825 457 L CB -0.651 41.503 42.059 0.158 0.000 0.937 457 L HN -0.101 nan 8.230 nan 0.000 0.450 458 D N -0.543 119.941 120.400 0.140 0.000 2.339 458 D HA 0.045 4.686 4.640 0.000 0.000 0.217 458 D C 2.172 178.541 176.300 0.116 0.000 1.050 458 D CA 0.167 54.225 54.000 0.096 0.000 0.856 458 D CB 0.383 41.229 40.800 0.076 0.000 0.922 458 D HN 0.250 nan 8.370 nan 0.000 0.518 459 L N 0.973 122.309 121.223 0.189 0.000 2.013 459 L HA -0.174 4.167 4.340 0.000 0.000 0.212 459 L C -0.445 176.542 176.870 0.194 0.000 1.073 459 L CA 1.675 56.650 54.840 0.224 0.000 0.753 459 L CB -1.441 40.828 42.059 0.350 0.000 0.890 459 L HN 0.051 nan 8.230 nan 0.000 0.432 460 P HA -0.208 nan 4.420 nan 0.000 0.215 460 P C 1.366 178.735 177.300 0.115 0.000 1.157 460 P CA 1.362 64.500 63.100 0.063 0.000 0.874 460 P CB 0.035 31.593 31.700 -0.237 0.000 0.790 461 Q N -0.912 118.893 119.800 0.008 0.000 2.079 461 Q HA -0.095 4.245 4.340 0.000 0.000 0.200 461 Q C 2.185 178.183 176.000 -0.003 0.000 0.974 461 Q CA 1.272 57.067 55.803 -0.013 0.000 0.840 461 Q CB -0.998 27.709 28.738 -0.051 0.000 0.898 461 Q HN 0.272 nan 8.270 nan 0.000 0.430 462 I N 0.054 120.629 120.570 0.008 0.000 2.179 462 I HA -0.264 3.906 4.170 0.000 0.000 0.242 462 I C 2.042 178.175 176.117 0.026 0.000 1.088 462 I CA 1.184 62.461 61.300 -0.040 0.000 1.357 462 I CB -0.287 37.732 38.000 0.031 0.000 1.051 462 I HN 0.187 nan 8.210 nan 0.000 0.409 463 I N 0.538 121.190 120.570 0.137 0.000 2.226 463 I HA -0.300 3.870 4.170 0.000 0.000 0.245 463 I C 2.645 178.785 176.117 0.038 0.000 1.100 463 I CA 1.520 62.916 61.300 0.160 0.000 1.374 463 I CB -0.384 37.730 38.000 0.190 0.000 1.057 463 I HN 0.319 nan 8.210 nan 0.000 0.413 464 E N 1.056 121.308 120.200 0.086 0.000 2.106 464 E HA -0.287 4.063 4.350 0.000 0.000 0.192 464 E C 2.288 178.876 176.600 -0.020 0.000 0.984 464 E CA 1.109 57.532 56.400 0.038 0.000 0.806 464 E CB 0.069 29.881 29.700 0.187 0.000 0.750 464 E HN 0.155 nan 8.360 nan 0.000 0.458 465 R N 0.376 120.851 120.500 -0.041 0.000 2.092 465 R HA -0.003 4.337 4.340 0.000 0.000 0.231 465 R C 2.155 178.372 176.300 -0.139 0.000 1.119 465 R CA 1.195 57.240 56.100 -0.092 0.000 0.970 465 R CB -0.205 30.014 30.300 -0.135 0.000 0.864 465 R HN 0.269 nan 8.270 nan 0.000 0.440 466 L N -1.332 119.780 121.223 -0.186 0.000 2.307 466 L HA 0.044 4.384 4.340 0.000 0.000 0.211 466 L C 1.341 177.864 176.870 -0.579 0.000 1.099 466 L CA 0.716 55.326 54.840 -0.382 0.000 0.816 466 L CB -0.207 41.588 42.059 -0.440 0.000 0.952 466 L HN 0.328 nan 8.230 nan 0.000 0.455 467 H N -0.718 118.275 119.070 -0.130 0.000 3.241 467 H HA 0.319 4.876 4.556 0.000 0.000 0.260 467 H C 0.865 176.108 175.328 -0.141 0.000 1.084 467 H CA 0.715 56.678 56.048 -0.142 0.000 1.203 467 H CB 1.270 30.924 29.762 -0.180 0.000 1.524 467 H HN 0.247 nan 8.280 nan 0.000 0.521 468 G N 1.187 109.962 108.800 -0.041 0.000 2.730 468 G HA2 -0.227 3.734 3.960 0.000 0.000 0.686 468 G HA3 -0.227 3.734 3.960 0.000 0.000 0.686 468 G C 0.649 175.486 174.900 -0.105 0.000 1.343 468 G CA -0.164 44.908 45.100 -0.046 0.000 0.826 468 G HN 0.217 nan 8.290 nan 0.000 0.582 469 L N 1.062 122.277 121.223 -0.013 0.000 2.187 469 L HA -0.155 4.185 4.340 0.000 0.000 0.213 469 L C 3.223 180.085 176.870 -0.014 0.000 1.100 469 L CA 2.404 57.286 54.840 0.070 0.000 0.765 469 L CB -0.486 41.681 42.059 0.180 0.000 0.904 469 L HN 0.978 nan 8.230 nan 0.000 0.437 470 S N -0.202 115.467 115.700 -0.052 0.000 2.440 470 S HA -0.193 4.277 4.470 0.000 0.000 0.238 470 S C 2.098 176.608 174.600 -0.149 0.000 1.010 470 S CA 0.841 59.004 58.200 -0.061 0.000 0.972 470 S CB -0.401 62.762 63.200 -0.062 0.000 0.774 470 S HN 0.395 nan 8.310 nan 0.000 0.501 471 A N 1.027 123.659 122.820 -0.313 0.000 2.024 471 A HA 0.093 4.413 4.320 0.000 0.000 0.220 471 A C 1.698 179.075 177.584 -0.344 0.000 1.164 471 A CA 1.170 52.947 52.037 -0.434 0.000 0.643 471 A CB -0.982 17.651 19.000 -0.613 0.000 0.806 471 A HN 0.686 nan 8.150 nan 0.000 0.451 472 F N -1.063 118.905 119.950 0.030 0.000 2.765 472 F HA 0.131 4.658 4.527 0.000 0.000 0.302 472 F C 1.655 177.498 175.800 0.071 0.000 1.111 472 F CA 0.480 58.520 58.000 0.068 0.000 1.359 472 F CB 0.464 39.532 39.000 0.114 0.000 1.097 472 F HN 0.086 nan 8.300 nan 0.000 0.577 473 S N -0.180 115.617 115.700 0.161 0.000 2.733 473 S HA 0.290 4.760 4.470 0.000 0.000 0.247 473 S C 0.454 175.131 174.600 0.129 0.000 1.043 473 S CA -0.357 57.931 58.200 0.145 0.000 1.066 473 S CB 0.272 63.545 63.200 0.122 0.000 1.045 473 S HN 0.026 nan 8.310 nan 0.000 0.586 474 L N 3.469 124.696 121.223 0.007 0.000 2.514 474 L HA 0.246 4.586 4.340 0.000 0.000 0.280 474 L C 0.517 177.347 176.870 -0.068 0.000 1.223 474 L CA 0.495 55.241 54.840 -0.156 0.000 0.864 474 L CB -0.040 41.775 42.059 -0.407 0.000 1.118 474 L HN 0.548 nan 8.230 nan 0.000 0.494 475 H N -0.801 118.085 119.070 -0.307 0.000 2.918 475 H HA 0.301 4.857 4.556 0.000 0.000 0.303 475 H C -0.035 175.173 175.328 -0.199 0.000 1.380 475 H CA -0.495 55.460 56.048 -0.154 0.000 1.134 475 H CB 1.147 30.920 29.762 0.018 0.000 1.842 475 H HN 0.407 nan 8.280 nan 0.000 0.533 476 S N -0.160 115.505 115.700 -0.058 0.000 3.711 476 S HA -0.223 4.247 4.470 0.000 0.000 0.374 476 S C -0.824 173.749 174.600 -0.044 0.000 0.969 476 S CA 0.245 58.409 58.200 -0.059 0.000 1.198 476 S CB -2.101 60.955 63.200 -0.240 0.000 0.903 476 S HN 0.571 nan 8.310 nan 0.000 0.493 477 Y N 2.173 122.490 120.300 0.028 0.000 2.330 477 Y HA 0.355 4.905 4.550 0.000 0.000 0.341 477 Y C 1.358 177.296 175.900 0.063 0.000 1.278 477 Y CA 0.533 58.663 58.100 0.049 0.000 1.453 477 Y CB 0.446 38.932 38.460 0.044 0.000 1.342 477 Y HN 0.583 nan 8.280 nan 0.000 0.590 478 S N 1.447 117.290 115.700 0.237 0.000 2.572 478 S HA 0.125 4.595 4.470 0.000 0.000 0.279 478 S C -2.056 172.620 174.600 0.127 0.000 1.341 478 S CA -1.095 57.189 58.200 0.141 0.000 1.043 478 S CB 1.225 64.485 63.200 0.100 0.000 0.887 478 S HN 0.436 nan 8.310 nan 0.000 0.516 479 P HA 0.009 nan 4.420 nan 0.000 0.216 479 P C 1.701 179.036 177.300 0.058 0.000 1.150 479 P CA 1.562 64.703 63.100 0.069 0.000 0.837 479 P CB -0.381 31.351 31.700 0.052 0.000 0.786 480 G N -0.119 108.712 108.800 0.052 0.000 2.402 480 G HA2 -0.259 3.701 3.960 0.000 0.000 0.216 480 G HA3 -0.259 3.701 3.960 0.000 0.000 0.216 480 G C 1.656 176.581 174.900 0.042 0.000 1.162 480 G CA 0.766 45.888 45.100 0.037 0.000 0.777 480 G HN 0.258 nan 8.290 nan 0.000 0.539 481 E N 0.710 120.952 120.200 0.070 0.000 2.072 481 E HA -0.031 4.319 4.350 0.000 0.000 0.191 481 E C 2.403 179.041 176.600 0.064 0.000 0.985 481 E CA 0.719 57.172 56.400 0.087 0.000 0.801 481 E CB -0.396 29.406 29.700 0.169 0.000 0.750 481 E HN 0.483 nan 8.360 nan 0.000 0.452 482 I N 0.837 121.448 120.570 0.069 0.000 2.226 482 I HA -0.285 3.885 4.170 0.000 0.000 0.245 482 I C 1.880 178.012 176.117 0.026 0.000 1.100 482 I CA 1.083 62.406 61.300 0.039 0.000 1.374 482 I CB -0.437 37.599 38.000 0.061 0.000 1.057 482 I HN 0.160 nan 8.210 nan 0.000 0.413 483 N N 0.782 119.500 118.700 0.029 0.000 2.120 483 N HA -0.212 4.528 4.740 0.000 0.000 0.188 483 N C 1.883 177.394 175.510 0.002 0.000 1.024 483 N CA 1.208 54.269 53.050 0.018 0.000 0.852 483 N CB -0.478 38.021 38.487 0.020 0.000 1.003 483 N HN 0.343 nan 8.380 nan 0.000 0.424 484 R N 0.961 121.458 120.500 -0.005 0.000 2.073 484 R HA -0.060 4.280 4.340 0.000 0.000 0.234 484 R C 1.909 178.174 176.300 -0.058 0.000 1.134 484 R CA 1.145 57.225 56.100 -0.033 0.000 0.952 484 R CB -0.235 30.041 30.300 -0.041 0.000 0.850 484 R HN -0.031 nan 8.270 nan 0.000 0.433 485 V N 1.184 121.067 119.914 -0.052 0.000 2.255 485 V HA -0.256 3.864 4.120 0.000 0.000 0.247 485 V C 2.538 178.606 176.094 -0.043 0.000 1.051 485 V CA 2.023 64.279 62.300 -0.073 0.000 1.018 485 V CB -0.963 30.842 31.823 -0.029 0.000 0.641 485 V HN 0.591 nan 8.190 nan 0.000 0.445 486 A N -0.543 122.271 122.820 -0.010 0.000 1.917 486 A HA -0.285 4.035 4.320 0.000 0.000 0.219 486 A C 2.575 180.162 177.584 0.005 0.000 1.182 486 A CA 2.516 54.559 52.037 0.011 0.000 0.633 486 A CB -0.901 18.113 19.000 0.023 0.000 0.819 486 A HN 0.505 nan 8.150 nan 0.000 0.448 487 S N -1.397 114.300 115.700 -0.005 0.000 2.368 487 S HA -0.205 4.265 4.470 0.000 0.000 0.225 487 S C 2.087 176.680 174.600 -0.013 0.000 1.030 487 S CA 1.550 59.748 58.200 -0.004 0.000 0.999 487 S CB -0.961 62.234 63.200 -0.009 0.000 0.844 487 S HN 0.773 nan 8.310 nan 0.000 0.459 488 C N 1.563 120.838 119.300 -0.041 0.000 2.429 488 C HA 0.017 4.477 4.460 0.000 0.000 0.277 488 C C 2.509 177.477 174.990 -0.037 0.000 1.262 488 C CA 0.991 59.974 59.018 -0.059 0.000 1.733 488 C CB -1.745 25.918 27.740 -0.128 0.000 2.010 488 C HN 0.689 nan 8.230 nan 0.000 0.483 489 L N 0.249 121.456 121.223 -0.026 0.000 2.042 489 L HA -0.139 4.201 4.340 0.000 0.000 0.210 489 L C 3.021 179.891 176.870 -0.001 0.000 1.076 489 L CA 1.804 56.644 54.840 -0.000 0.000 0.749 489 L CB -0.914 41.172 42.059 0.045 0.000 0.893 489 L HN 0.354 nan 8.230 nan 0.000 0.432 490 R N 0.087 120.597 120.500 0.016 0.000 2.096 490 R HA -0.156 4.184 4.340 0.000 0.000 0.235 490 R C 2.414 178.754 176.300 0.068 0.000 1.127 490 R CA 1.089 57.209 56.100 0.033 0.000 0.968 490 R CB -0.193 30.133 30.300 0.043 0.000 0.861 490 R HN 0.283 nan 8.270 nan 0.000 0.440 491 K N 1.048 121.485 120.400 0.062 0.000 2.026 491 K HA -0.124 4.197 4.320 0.000 0.000 0.208 491 K C 1.826 178.542 176.600 0.194 0.000 1.048 491 K CA 1.302 57.655 56.287 0.111 0.000 0.929 491 K CB -0.011 32.523 32.500 0.056 0.000 0.713 491 K HN 0.169 nan 8.250 nan 0.000 0.439 492 L N -0.349 120.906 121.223 0.054 0.000 2.554 492 L HA 0.096 4.436 4.340 0.000 0.000 0.226 492 L C 0.960 177.620 176.870 -0.350 0.000 1.137 492 L CA 0.486 55.329 54.840 0.005 0.000 0.863 492 L CB 0.037 42.091 42.059 -0.008 0.000 0.985 492 L HN 0.529 nan 8.230 nan 0.000 0.451 493 G N 0.885 109.336 108.800 -0.581 0.000 2.212 493 G HA2 -0.223 3.737 3.960 0.000 0.000 0.255 493 G HA3 -0.223 3.737 3.960 0.000 0.000 0.255 493 G C -0.064 174.682 174.900 -0.256 0.000 1.062 493 G CA -0.018 44.623 45.100 -0.766 0.000 0.815 493 G HN 0.099 nan 8.290 nan 0.000 0.497 494 V N 0.815 120.674 119.914 -0.092 0.000 2.439 494 V HA 0.434 4.554 4.120 0.000 0.000 0.282 494 V C -1.234 174.950 176.094 0.149 0.000 1.039 494 V CA -1.634 60.713 62.300 0.078 0.000 0.913 494 V CB 1.638 33.523 31.823 0.104 0.000 0.983 494 V HN 0.159 nan 8.190 nan 0.000 0.460 495 P HA 0.090 nan 4.420 nan 0.000 0.266 495 P C -2.440 175.010 177.300 0.250 0.000 1.193 495 P CA -0.611 62.542 63.100 0.089 0.000 0.770 495 P CB -0.141 31.434 31.700 -0.209 0.000 0.836 496 P HA 0.037 nan 4.420 nan 0.000 0.270 496 P C 0.883 178.381 177.300 0.329 0.000 1.223 496 P CA 0.059 63.271 63.100 0.187 0.000 0.785 496 P CB 0.715 32.473 31.700 0.097 0.000 0.923 497 L N 1.014 122.429 121.223 0.319 0.000 2.081 497 L HA -0.240 4.100 4.340 0.000 0.000 0.212 497 L C 2.903 179.973 176.870 0.332 0.000 1.080 497 L CA 1.902 56.960 54.840 0.363 0.000 0.754 497 L CB -0.873 41.286 42.059 0.167 0.000 0.893 497 L HN 0.499 nan 8.230 nan 0.000 0.433 498 R N 0.871 121.497 120.500 0.210 0.000 2.105 498 R HA -0.152 4.188 4.340 0.000 0.000 0.239 498 R C 2.172 178.562 176.300 0.150 0.000 1.135 498 R CA 1.481 57.682 56.100 0.170 0.000 0.967 498 R CB -0.767 29.594 30.300 0.103 0.000 0.861 498 R HN 0.277 nan 8.270 nan 0.000 0.442 499 A N 0.826 123.687 122.820 0.068 0.000 2.015 499 A HA -0.085 4.235 4.320 0.000 0.000 0.219 499 A C 1.642 179.160 177.584 -0.110 0.000 1.163 499 A CA 0.880 52.874 52.037 -0.072 0.000 0.646 499 A CB -0.839 18.021 19.000 -0.233 0.000 0.806 499 A HN 0.574 nan 8.150 nan 0.000 0.448 500 W N -0.407 121.004 121.300 0.184 0.000 2.467 500 W HA 0.055 4.715 4.660 0.000 0.000 0.275 500 W C 2.516 179.247 176.519 0.353 0.000 1.239 500 W CA 0.865 58.356 57.345 0.244 0.000 1.266 500 W CB -0.056 29.541 29.460 0.228 0.000 1.112 500 W HN 0.204 nan 8.180 nan 0.000 0.576 501 R N -0.618 120.199 120.500 0.529 0.000 2.081 501 R HA -0.199 4.141 4.340 0.000 0.000 0.235 501 R C 1.995 178.427 176.300 0.219 0.000 1.131 501 R CA 1.893 58.266 56.100 0.455 0.000 0.960 501 R CB -0.762 29.770 30.300 0.385 0.000 0.856 501 R HN 0.228 nan 8.270 nan 0.000 0.436 502 H N 0.882 120.005 119.070 0.088 0.000 2.319 502 H HA -0.072 4.484 4.556 0.000 0.000 0.299 502 H C 1.957 177.271 175.328 -0.024 0.000 1.092 502 H CA 1.962 58.011 56.048 0.002 0.000 1.302 502 H CB 0.078 29.822 29.762 -0.030 0.000 1.373 502 H HN 0.031 nan 8.280 nan 0.000 0.497 503 R N -0.229 120.200 120.500 -0.117 0.000 2.081 503 R HA -0.049 4.291 4.340 0.000 0.000 0.235 503 R C 2.579 178.804 176.300 -0.125 0.000 1.131 503 R CA 1.035 57.031 56.100 -0.173 0.000 0.960 503 R CB -0.355 29.896 30.300 -0.082 0.000 0.856 503 R HN 0.405 nan 8.270 nan 0.000 0.436 504 A N 1.325 124.146 122.820 0.003 0.000 1.933 504 A HA -0.167 4.153 4.320 0.000 0.000 0.218 504 A C 2.081 179.444 177.584 -0.368 0.000 1.175 504 A CA 1.168 53.114 52.037 -0.151 0.000 0.628 504 A CB -0.329 18.695 19.000 0.039 0.000 0.814 504 A HN 0.220 nan 8.150 nan 0.000 0.444 505 R N -0.311 120.027 120.500 -0.270 0.000 2.081 505 R HA -0.143 4.197 4.340 0.000 0.000 0.235 505 R C 1.889 178.031 176.300 -0.263 0.000 1.131 505 R CA 1.721 57.668 56.100 -0.255 0.000 0.960 505 R CB -0.395 29.807 30.300 -0.164 0.000 0.856 505 R HN 0.580 nan 8.270 nan 0.000 0.436 506 N N -0.116 118.415 118.700 -0.282 0.000 2.142 506 N HA -0.112 4.628 4.740 0.000 0.000 0.186 506 N C 1.721 177.086 175.510 -0.242 0.000 1.023 506 N CA 1.009 53.912 53.050 -0.246 0.000 0.852 506 N CB -0.251 38.077 38.487 -0.265 0.000 0.998 506 N HN -0.052 nan 8.380 nan 0.000 0.424 507 V N 1.060 120.791 119.914 -0.306 0.000 2.343 507 V HA -0.207 3.913 4.120 0.000 0.000 0.247 507 V C 2.423 178.272 176.094 -0.408 0.000 1.051 507 V CA 1.548 63.642 62.300 -0.342 0.000 1.036 507 V CB -0.487 31.060 31.823 -0.459 0.000 0.654 507 V HN 0.313 nan 8.190 nan 0.000 0.451 508 R N 0.303 120.480 120.500 -0.538 0.000 2.083 508 R HA -0.190 4.150 4.340 0.000 0.000 0.237 508 R C 2.290 178.464 176.300 -0.211 0.000 1.137 508 R CA 1.806 57.666 56.100 -0.400 0.000 0.951 508 R CB -0.462 29.628 30.300 -0.349 0.000 0.851 508 R HN 0.482 nan 8.270 nan 0.000 0.434 509 A N 1.032 123.740 122.820 -0.188 0.000 1.933 509 A HA -0.156 4.164 4.320 0.000 0.000 0.218 509 A C 2.180 179.707 177.584 -0.096 0.000 1.175 509 A CA 1.423 53.385 52.037 -0.124 0.000 0.628 509 A CB -0.398 18.533 19.000 -0.115 0.000 0.814 509 A HN 0.380 nan 8.150 nan 0.000 0.444 510 R N -0.592 119.845 120.500 -0.105 0.000 2.075 510 R HA 0.013 4.353 4.340 0.000 0.000 0.232 510 R C 2.043 178.319 176.300 -0.040 0.000 1.126 510 R CA 1.352 57.413 56.100 -0.066 0.000 0.963 510 R CB -0.492 29.768 30.300 -0.066 0.000 0.858 510 R HN 0.487 nan 8.270 nan 0.000 0.435 511 L N 0.630 121.822 121.223 -0.052 0.000 2.046 511 L HA -0.182 4.158 4.340 0.000 0.000 0.208 511 L C 2.326 179.191 176.870 -0.007 0.000 1.077 511 L CA 1.174 56.010 54.840 -0.008 0.000 0.747 511 L CB -0.395 41.653 42.059 -0.019 0.000 0.896 511 L HN 0.212 nan 8.230 nan 0.000 0.432 512 L N -0.508 120.696 121.223 -0.032 0.000 2.083 512 L HA -0.184 4.156 4.340 0.000 0.000 0.209 512 L C 2.860 179.720 176.870 -0.016 0.000 1.083 512 L CA 1.476 56.302 54.840 -0.024 0.000 0.752 512 L CB -0.673 41.361 42.059 -0.042 0.000 0.899 512 L HN 0.395 nan 8.230 nan 0.000 0.433 513 S N -0.076 115.611 115.700 -0.021 0.000 2.419 513 S HA -0.180 4.290 4.470 0.000 0.000 0.233 513 S C 1.968 176.566 174.600 -0.003 0.000 1.016 513 S CA 0.752 58.944 58.200 -0.015 0.000 0.974 513 S CB -0.384 62.804 63.200 -0.020 0.000 0.786 513 S HN 0.419 nan 8.310 nan 0.000 0.492 514 R N 1.442 121.946 120.500 0.006 0.000 2.276 514 R HA 0.257 4.597 4.340 0.000 0.000 0.203 514 R C 1.633 177.945 176.300 0.020 0.000 1.017 514 R CA 0.321 56.432 56.100 0.017 0.000 1.010 514 R CB -0.807 29.513 30.300 0.032 0.000 0.900 514 R HN 0.574 nan 8.270 nan 0.000 0.469 515 G N 0.348 109.157 108.800 0.016 0.000 2.682 515 G HA2 -0.203 3.757 3.960 0.000 0.000 0.256 515 G HA3 -0.203 3.757 3.960 0.000 0.000 0.256 515 G C 0.519 175.436 174.900 0.027 0.000 1.333 515 G CA -0.190 44.921 45.100 0.018 0.000 0.904 515 G HN 0.623 nan 8.290 nan 0.000 0.569 516 G N -1.123 107.692 108.800 0.025 0.000 2.582 516 G HA2 -0.256 3.705 3.960 0.000 0.000 0.288 516 G HA3 -0.256 3.705 3.960 0.000 0.000 0.288 516 G C 1.119 176.041 174.900 0.036 0.000 1.247 516 G CA 1.487 46.604 45.100 0.029 0.000 0.972 516 G HN 1.473 nan 8.290 nan 0.000 0.557 517 R N 0.233 120.759 120.500 0.043 0.000 2.096 517 R HA 0.092 4.432 4.340 0.000 0.000 0.235 517 R C 3.221 179.566 176.300 0.075 0.000 1.127 517 R CA 1.944 58.074 56.100 0.051 0.000 0.968 517 R CB -0.548 29.788 30.300 0.060 0.000 0.861 517 R HN 0.687 nan 8.270 nan 0.000 0.440 518 A N 1.292 124.165 122.820 0.088 0.000 1.902 518 A HA -0.115 4.205 4.320 0.000 0.000 0.217 518 A C 2.367 179.995 177.584 0.073 0.000 1.181 518 A CA 1.678 53.783 52.037 0.114 0.000 0.623 518 A CB -0.605 18.460 19.000 0.108 0.000 0.818 518 A HN 0.393 nan 8.150 nan 0.000 0.443 519 A N -0.146 122.704 122.820 0.050 0.000 1.930 519 A HA -0.034 4.286 4.320 0.000 0.000 0.217 519 A C 2.074 179.686 177.584 0.046 0.000 1.175 519 A CA 1.385 53.442 52.037 0.033 0.000 0.627 519 A CB -0.571 18.444 19.000 0.024 0.000 0.815 519 A HN 0.502 nan 8.150 nan 0.000 0.443 520 I N -0.766 119.837 120.570 0.054 0.000 2.286 520 I HA -0.310 3.860 4.170 0.000 0.000 0.248 520 I C 2.416 178.573 176.117 0.068 0.000 1.115 520 I CA 0.905 62.250 61.300 0.076 0.000 1.392 520 I CB -0.439 37.558 38.000 -0.005 0.000 1.065 520 I HN 0.378 nan 8.210 nan 0.000 0.418 521 C N 0.785 120.099 119.300 0.024 0.000 2.446 521 C HA -0.077 4.384 4.460 0.000 0.000 0.277 521 C C 3.010 177.989 174.990 -0.018 0.000 1.275 521 C CA 1.126 60.118 59.018 -0.044 0.000 1.727 521 C CB -1.611 26.094 27.740 -0.058 0.000 2.010 521 C HN 0.657 nan 8.230 nan 0.000 0.486 522 G N 0.215 109.036 108.800 0.035 0.000 2.418 522 G HA2 -0.271 3.689 3.960 0.000 0.000 0.217 522 G HA3 -0.271 3.689 3.960 0.000 0.000 0.217 522 G C 1.624 176.564 174.900 0.066 0.000 1.158 522 G CA 1.182 46.335 45.100 0.089 0.000 0.771 522 G HN 0.648 nan 8.290 nan 0.000 0.545 523 K N -0.757 119.655 120.400 0.020 0.000 1.985 523 K HA -0.109 4.211 4.320 0.000 0.000 0.210 523 K C 2.253 178.742 176.600 -0.184 0.000 1.047 523 K CA 1.325 57.570 56.287 -0.071 0.000 0.932 523 K CB -0.333 32.137 32.500 -0.051 0.000 0.716 523 K HN 0.361 nan 8.250 nan 0.000 0.439 524 Y N 1.053 121.184 120.300 -0.283 0.000 2.176 524 Y HA -0.048 4.502 4.550 0.000 0.000 0.291 524 Y C 2.134 177.776 175.900 -0.429 0.000 1.122 524 Y CA 1.014 58.790 58.100 -0.539 0.000 1.128 524 Y CB -0.290 37.564 38.460 -1.010 0.000 1.005 524 Y HN -0.016 nan 8.280 nan 0.000 0.509 525 L N -1.742 119.355 121.223 -0.210 0.000 2.191 525 L HA -0.167 4.174 4.340 0.000 0.000 0.212 525 L C 0.736 177.298 176.870 -0.513 0.000 1.103 525 L CA 1.389 56.034 54.840 -0.324 0.000 0.769 525 L CB -0.428 41.259 42.059 -0.620 0.000 0.908 525 L HN 0.182 nan 8.230 nan 0.000 0.438 526 F N -1.678 118.210 119.950 -0.103 0.000 2.735 526 F HA 0.192 4.719 4.527 0.000 0.000 0.304 526 F C 1.510 177.001 175.800 -0.515 0.000 1.119 526 F CA -0.368 57.372 58.000 -0.433 0.000 1.280 526 F CB -0.351 38.395 39.000 -0.423 0.000 0.994 526 F HN -0.094 nan 8.300 nan 0.000 0.520 527 N N 1.076 119.692 118.700 -0.140 0.000 2.381 527 N HA -0.174 4.566 4.740 0.000 0.000 0.182 527 N C 1.899 177.376 175.510 -0.055 0.000 1.025 527 N CA 1.327 54.314 53.050 -0.105 0.000 0.888 527 N CB -0.132 38.311 38.487 -0.074 0.000 0.965 527 N HN 0.559 nan 8.380 nan 0.000 0.438 528 W N -0.637 120.705 121.300 0.069 0.000 2.519 528 W HA 0.194 4.854 4.660 0.000 0.000 0.266 528 W C 1.162 177.742 176.519 0.102 0.000 1.253 528 W CA 0.597 57.992 57.345 0.083 0.000 1.274 528 W CB -0.747 28.771 29.460 0.098 0.000 1.114 528 W HN 0.035 nan 8.180 nan 0.000 0.596 529 A N 1.501 123.908 122.820 -0.688 0.000 2.208 529 A HA 0.230 4.550 4.320 0.000 0.000 0.209 529 A C 0.904 178.366 177.584 -0.203 0.000 1.161 529 A CA 1.021 52.711 52.037 -0.579 0.000 0.782 529 A CB -0.769 17.653 19.000 -0.963 0.000 0.816 529 A HN 0.144 nan 8.150 nan 0.000 0.477 530 V N -3.324 116.502 119.914 -0.146 0.000 2.628 530 V HA 0.478 4.598 4.120 0.000 0.000 0.306 530 V C 0.831 176.905 176.094 -0.034 0.000 1.045 530 V CA -0.587 61.664 62.300 -0.081 0.000 0.905 530 V CB 1.693 33.457 31.823 -0.098 0.000 0.997 530 V HN 0.290 nan 8.190 nan 0.000 0.436 531 K N 1.774 122.162 120.400 -0.020 0.000 2.062 531 K HA 0.025 4.345 4.320 0.000 0.000 0.205 531 K C 0.875 177.459 176.600 -0.025 0.000 1.051 531 K CA 1.365 57.645 56.287 -0.012 0.000 0.941 531 K CB -0.049 32.448 32.500 -0.005 0.000 0.719 531 K HN 0.843 nan 8.250 nan 0.000 0.440 532 T N 3.647 118.182 114.554 -0.033 0.000 3.185 532 T HA 0.108 4.458 4.350 0.000 0.000 0.287 532 T C -0.654 174.016 174.700 -0.049 0.000 1.051 532 T CA -0.236 61.841 62.100 -0.038 0.000 1.051 532 T CB 0.335 69.181 68.868 -0.036 0.000 1.034 532 T HN 0.061 nan 8.240 nan 0.000 0.685 533 K N 2.837 123.208 120.400 -0.049 0.000 2.436 533 K HA 0.249 4.570 4.320 0.000 0.000 0.275 533 K C 0.325 176.881 176.600 -0.073 0.000 0.999 533 K CA -0.189 56.062 56.287 -0.060 0.000 0.980 533 K CB 0.929 33.399 32.500 -0.051 0.000 0.919 533 K HN 0.484 nan 8.250 nan 0.000 0.484 534 L N 1.752 122.914 121.223 -0.101 0.000 2.357 534 L HA 0.270 4.610 4.340 0.000 0.000 0.273 534 L C 0.797 177.586 176.870 -0.135 0.000 1.080 534 L CA -0.712 54.058 54.840 -0.117 0.000 0.803 534 L CB 0.749 42.717 42.059 -0.151 0.000 1.174 534 L HN 0.420 nan 8.230 nan 0.000 0.443 535 K N 2.921 123.254 120.400 -0.112 0.000 2.363 535 K HA 0.258 4.578 4.320 0.000 0.000 0.289 535 K C -0.818 175.687 176.600 -0.159 0.000 1.063 535 K CA -0.201 56.027 56.287 -0.098 0.000 0.967 535 K CB 0.226 32.693 32.500 -0.055 0.000 0.987 535 K HN 0.441 nan 8.250 nan 0.000 0.473 536 L N 5.580 126.693 121.223 -0.183 0.000 2.282 536 L HA 0.156 4.496 4.340 0.000 0.000 0.287 536 L C 0.675 177.539 176.870 -0.009 0.000 1.075 536 L CA -0.609 54.056 54.840 -0.291 0.000 0.839 536 L CB 0.341 42.207 42.059 -0.322 0.000 1.219 536 L HN 0.698 nan 8.230 nan 0.000 0.434 537 T N 0.592 115.189 114.554 0.072 0.000 2.927 537 T HA 0.514 4.864 4.350 0.000 0.000 0.281 537 T C -2.451 172.393 174.700 0.238 0.000 0.998 537 T CA -2.210 59.972 62.100 0.137 0.000 1.019 537 T CB 1.309 70.232 68.868 0.091 0.000 1.061 537 T HN 0.149 nan 8.240 nan 0.000 0.518 538 P HA 0.162 nan 4.420 nan 0.000 0.265 538 P C -0.546 176.809 177.300 0.092 0.000 1.187 538 P CA 0.031 63.210 63.100 0.133 0.000 0.766 538 P CB 0.162 31.910 31.700 0.080 0.000 0.820 539 I N 2.347 122.932 120.570 0.025 0.000 2.312 539 I HA 0.110 4.281 4.170 0.000 0.000 0.291 539 I C 1.572 177.666 176.117 -0.037 0.000 1.031 539 I CA -0.280 60.978 61.300 -0.069 0.000 1.293 539 I CB 1.167 39.033 38.000 -0.223 0.000 1.403 539 I HN 0.436 nan 8.210 nan 0.000 0.484 540 A N 5.724 128.530 122.820 -0.024 0.000 1.958 540 A HA -0.269 4.051 4.320 0.000 0.000 0.221 540 A C 2.347 179.915 177.584 -0.028 0.000 1.178 540 A CA 2.305 54.332 52.037 -0.016 0.000 0.642 540 A CB -0.461 18.534 19.000 -0.010 0.000 0.816 540 A HN 0.852 nan 8.150 nan 0.000 0.453 541 A N -0.782 122.013 122.820 -0.043 0.000 2.119 541 A HA 0.303 4.623 4.320 0.000 0.000 0.217 541 A C 2.353 179.906 177.584 -0.052 0.000 1.153 541 A CA 1.629 53.639 52.037 -0.045 0.000 0.692 541 A CB -0.726 18.245 19.000 -0.048 0.000 0.799 541 A HN 1.000 nan 8.150 nan 0.000 0.458 542 A N 0.268 123.057 122.820 -0.052 0.000 1.855 542 A HA 0.314 4.634 4.320 0.000 0.000 0.215 542 A C 1.803 179.356 177.584 -0.051 0.000 1.191 542 A CA 1.226 53.232 52.037 -0.051 0.000 0.613 542 A CB -1.431 17.552 19.000 -0.028 0.000 0.829 542 A HN 0.776 nan 8.150 nan 0.000 0.442 550 W N 2.010 123.142 121.300 -0.281 0.000 2.467 550 W HA 0.437 5.097 4.660 0.000 0.000 0.275 550 W C 0.292 176.253 176.519 -0.930 0.000 1.239 550 W CA 0.433 57.304 57.345 -0.790 0.000 1.266 550 W CB -0.273 28.321 29.460 -1.444 0.000 1.112 550 W HN 0.347 nan 8.180 nan 0.000 0.576 551 F N -0.668 119.435 119.950 0.256 0.000 2.584 551 F HA 0.294 4.821 4.527 0.000 0.000 0.328 551 F C 0.825 176.775 175.800 0.250 0.000 1.407 551 F CA -0.211 57.947 58.000 0.263 0.000 1.145 551 F CB 0.233 39.326 39.000 0.155 0.000 1.440 551 F HN -0.411 nan 8.300 nan 0.000 0.580 552 T N -0.211 114.569 114.554 0.377 0.000 3.058 552 T HA 0.587 4.937 4.350 0.000 0.000 0.247 552 T C 0.588 175.459 174.700 0.286 0.000 0.987 552 T CA 0.465 62.729 62.100 0.273 0.000 1.062 552 T CB 0.557 69.555 68.868 0.216 0.000 1.048 552 T HN 0.330 nan 8.240 nan 0.000 0.468 553 A N 0.330 123.291 122.820 0.235 0.000 2.594 553 A HA 0.757 5.077 4.320 0.000 0.000 0.291 553 A C -0.338 176.941 177.584 -0.508 0.000 1.105 553 A CA -0.437 51.584 52.037 -0.026 0.000 0.694 553 A CB 0.957 19.793 19.000 -0.273 0.000 1.291 553 A HN 0.312 nan 8.150 nan 0.000 0.410 554 G N -1.174 106.989 108.800 -1.061 0.000 2.400 554 G HA2 0.534 4.494 3.960 0.000 0.000 0.301 554 G HA3 0.534 4.494 3.960 0.000 0.000 0.301 554 G C -0.800 173.390 174.900 -1.184 0.000 1.154 554 G CA -0.086 44.042 45.100 -1.619 0.000 0.852 554 G HN 0.622 nan 8.290 nan 0.000 0.511 555 Y N 0.429 120.519 120.300 -0.350 0.000 2.768 555 Y HA 0.249 4.800 4.550 0.000 0.000 0.249 555 Y C 1.250 177.076 175.900 -0.124 0.000 1.146 555 Y CA -0.685 57.307 58.100 -0.179 0.000 1.171 555 Y CB 0.476 38.866 38.460 -0.116 0.000 1.249 555 Y HN 0.380 nan 8.280 nan 0.000 0.567 556 S N 1.152 116.826 115.700 -0.043 0.000 2.673 556 S HA 0.231 4.701 4.470 0.000 0.000 0.308 556 S C 1.361 175.985 174.600 0.041 0.000 1.246 556 S CA 1.334 59.543 58.200 0.015 0.000 1.077 556 S CB 0.068 63.281 63.200 0.021 0.000 0.814 556 S HN 0.941 nan 8.310 nan 0.000 0.503 557 G N 3.046 111.873 108.800 0.046 0.000 2.184 557 G HA2 -0.260 3.700 3.960 0.000 0.000 0.264 557 G HA3 -0.260 3.700 3.960 0.000 0.000 0.264 557 G C 0.797 175.734 174.900 0.061 0.000 0.975 557 G CA 0.282 45.414 45.100 0.054 0.000 0.642 557 G HN 1.054 nan 8.290 nan 0.000 0.536 558 G N -0.204 108.637 108.800 0.069 0.000 2.920 558 G HA2 0.362 4.322 3.960 0.000 0.000 0.208 558 G HA3 0.362 4.322 3.960 0.000 0.000 0.208 558 G C 0.555 175.484 174.900 0.048 0.000 1.159 558 G CA 1.152 46.307 45.100 0.093 0.000 0.784 558 G HN 1.226 nan 8.290 nan 0.000 0.535 559 D N -0.670 119.727 120.400 -0.005 0.000 2.723 559 D HA -0.161 4.479 4.640 0.000 0.000 0.236 559 D C -0.076 176.173 176.300 -0.085 0.000 1.138 559 D CA 0.323 54.295 54.000 -0.047 0.000 0.676 559 D CB -1.211 39.573 40.800 -0.027 0.000 1.069 559 D HN 0.111 nan 8.370 nan 0.000 0.430 560 I N 1.128 121.611 120.570 -0.144 0.000 2.412 560 I HA 0.390 4.560 4.170 0.000 0.000 0.296 560 I C 0.036 175.941 176.117 -0.353 0.000 0.987 560 I CA -0.722 60.398 61.300 -0.300 0.000 1.180 560 I CB 1.212 38.889 38.000 -0.538 0.000 1.340 560 I HN 0.117 nan 8.210 nan 0.000 0.455 561 Y N 5.653 125.651 120.300 -0.503 0.000 2.406 561 Y HA 0.482 5.032 4.550 0.000 0.000 0.340 561 Y C -0.645 174.980 175.900 -0.458 0.000 0.975 561 Y CA -0.415 57.398 58.100 -0.479 0.000 1.056 561 Y CB 1.428 39.711 38.460 -0.295 0.000 1.210 561 Y HN 0.649 nan 8.280 nan 0.000 0.448 562 H N 0.000 118.410 119.070 -1.100 0.000 2.539 562 H HA 0.000 4.556 4.556 0.000 0.000 0.296 562 H CA 0.000 55.528 56.048 -0.867 0.000 1.023 562 H CB 0.000 29.217 29.762 -0.909 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496