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 2who_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 KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV K 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 0.000 174.571 174.600 -0.049 0.000 1.055 1 S CA 0.000 58.178 58.200 -0.037 0.000 1.107 1 S CB 0.000 63.168 63.200 -0.054 0.000 0.593 2 M N 3.332 122.897 119.600 -0.057 0.000 2.200 2 M HA 0.268 4.748 4.480 0.001 0.000 0.355 2 M C 1.931 178.134 176.300 -0.162 0.000 1.283 2 M CA 0.055 55.313 55.300 -0.071 0.000 1.124 2 M CB 0.734 33.314 32.600 -0.033 0.000 1.625 2 M HN 1.050 nan 8.290 nan 0.000 0.463 3 S N 3.018 118.566 115.700 -0.254 0.000 2.383 3 S HA -0.115 4.355 4.470 0.001 0.000 0.229 3 S C 0.179 174.410 174.600 -0.616 0.000 1.030 3 S CA 1.070 59.015 58.200 -0.425 0.000 1.002 3 S CB -0.239 62.661 63.200 -0.501 0.000 0.829 3 S HN 0.653 nan 8.310 nan 0.000 0.467 4 Y N 0.286 120.439 120.300 -0.244 0.000 2.588 4 Y HA 0.605 5.156 4.550 0.001 0.000 0.343 4 Y C 0.029 175.674 175.900 -0.426 0.000 1.065 4 Y CA -0.758 57.087 58.100 -0.424 0.000 1.038 4 Y CB 2.110 40.194 38.460 -0.627 0.000 1.297 4 Y HN 0.125 nan 8.280 nan 0.000 0.467 5 T N -1.580 112.744 114.554 -0.383 0.000 2.900 5 T HA 0.634 4.984 4.350 0.001 0.000 0.295 5 T C -1.863 172.555 174.700 -0.469 0.000 1.044 5 T CA -0.709 61.196 62.100 -0.325 0.000 0.995 5 T CB 0.838 69.651 68.868 -0.092 0.000 1.072 5 T HN 0.514 nan 8.240 nan 0.000 0.473 6 W N 1.840 123.194 121.300 0.090 0.000 2.475 6 W HA 0.501 5.161 4.660 0.001 0.000 0.317 6 W C -0.164 176.385 176.519 0.050 0.000 1.046 6 W CA -0.893 56.491 57.345 0.065 0.000 1.215 6 W CB 1.684 31.166 29.460 0.037 0.000 1.335 6 W HN 0.640 nan 8.180 nan 0.000 0.471 7 T N 1.782 116.479 114.554 0.238 0.000 2.811 7 T HA 0.235 4.585 4.350 0.001 0.000 0.309 7 T C 1.118 175.918 174.700 0.168 0.000 1.005 7 T CA -0.583 61.611 62.100 0.157 0.000 0.955 7 T CB 0.879 69.812 68.868 0.109 0.000 0.970 7 T HN 0.754 nan 8.240 nan 0.000 0.496 8 G N 2.416 111.302 108.800 0.143 0.000 3.194 8 G HA2 0.290 4.251 3.960 0.001 0.000 0.208 8 G HA3 0.290 4.251 3.960 0.001 0.000 0.208 8 G C 0.734 175.676 174.900 0.071 0.000 1.240 8 G CA -0.285 44.884 45.100 0.115 0.000 1.044 8 G HN 0.994 nan 8.290 nan 0.000 0.495 9 A N -0.245 122.625 122.820 0.083 0.000 2.547 9 A HA 0.437 4.757 4.320 0.001 0.000 0.233 9 A C 0.596 178.205 177.584 0.042 0.000 1.067 9 A CA -0.054 52.018 52.037 0.058 0.000 0.763 9 A CB 0.346 19.385 19.000 0.066 0.000 1.007 9 A HN 0.371 nan 8.150 nan 0.000 0.506 10 L N 1.495 122.729 121.223 0.018 0.000 2.375 10 L HA 0.285 4.625 4.340 0.001 0.000 0.271 10 L C 0.041 176.914 176.870 0.004 0.000 1.107 10 L CA -0.332 54.503 54.840 -0.009 0.000 0.806 10 L CB 0.796 42.849 42.059 -0.010 0.000 1.146 10 L HN 0.554 nan 8.230 nan 0.000 0.447 11 I N 2.451 123.009 120.570 -0.020 0.000 2.494 11 I HA 0.036 4.206 4.170 0.001 0.000 0.289 11 I C 0.497 176.619 176.117 0.008 0.000 1.106 11 I CA 0.190 61.492 61.300 0.002 0.000 1.369 11 I CB 0.463 38.449 38.000 -0.025 0.000 1.410 11 I HN 0.665 nan 8.210 nan 0.000 0.523 12 T N 5.083 119.651 114.554 0.024 0.000 2.888 12 T HA 0.586 4.936 4.350 0.001 0.000 0.284 12 T C -2.429 172.294 174.700 0.037 0.000 1.017 12 T CA -2.068 60.047 62.100 0.025 0.000 1.022 12 T CB 1.842 70.724 68.868 0.024 0.000 1.013 12 T HN 0.231 nan 8.240 nan 0.000 0.465 13 P HA 0.287 nan 4.420 nan 0.000 0.275 13 P C 0.435 177.762 177.300 0.045 0.000 1.266 13 P CA -0.657 62.470 63.100 0.045 0.000 0.793 13 P CB 0.461 32.186 31.700 0.043 0.000 1.074 14 C N -2.115 117.215 119.300 0.049 0.000 3.365 14 C HA 0.873 5.333 4.460 0.001 0.000 0.266 14 C C 0.193 175.208 174.990 0.042 0.000 1.631 14 C CA -0.189 58.856 59.018 0.046 0.000 1.789 14 C CB -0.921 26.854 27.740 0.057 0.000 3.088 14 C HN 0.766 nan 8.230 nan 0.000 0.547 15 A N 0.275 123.120 122.820 0.042 0.000 2.522 15 A HA 0.728 5.048 4.320 0.001 0.000 0.294 15 A C -0.289 177.323 177.584 0.047 0.000 1.001 15 A CA 0.039 52.102 52.037 0.043 0.000 0.642 15 A CB -0.628 18.399 19.000 0.045 0.000 1.326 15 A HN 1.885 nan 8.150 nan 0.000 0.435 16 A N 0.527 123.376 122.820 0.048 0.000 2.584 16 A HA 0.435 4.755 4.320 0.001 0.000 0.239 16 A C 0.182 177.807 177.584 0.069 0.000 1.043 16 A CA 1.044 53.114 52.037 0.056 0.000 0.756 16 A CB -0.409 18.625 19.000 0.055 0.000 0.963 16 A HN 0.595 nan 8.150 nan 0.000 0.511 17 E N 1.449 121.695 120.200 0.076 0.000 2.176 17 E HA 0.321 4.672 4.350 0.001 0.000 0.267 17 E C -0.732 175.944 176.600 0.126 0.000 0.893 17 E CA -0.445 56.012 56.400 0.095 0.000 0.761 17 E CB 1.838 31.587 29.700 0.082 0.000 1.133 17 E HN 0.763 nan 8.360 nan 0.000 0.409 18 E N 1.760 122.070 120.200 0.184 0.000 2.134 18 E HA 0.185 4.535 4.350 0.001 0.000 0.278 18 E C -0.138 176.674 176.600 0.354 0.000 0.959 18 E CA -0.038 56.515 56.400 0.255 0.000 0.783 18 E CB 1.259 31.163 29.700 0.339 0.000 1.095 18 E HN 0.339 nan 8.360 nan 0.000 0.399 19 S N 3.328 119.205 115.700 0.294 0.000 2.497 19 S HA 0.156 4.626 4.470 0.001 0.000 0.221 19 S C -0.007 174.831 174.600 0.398 0.000 1.037 19 S CA 0.095 58.484 58.200 0.315 0.000 0.920 19 S CB 0.390 63.709 63.200 0.198 0.000 0.800 19 S HN 0.342 nan 8.310 nan 0.000 0.505 20 K N 1.750 122.310 120.400 0.267 0.000 2.182 20 K HA 0.294 4.614 4.320 0.001 0.000 0.262 20 K C -1.021 175.515 176.600 -0.107 0.000 0.957 20 K CA -0.697 55.679 56.287 0.150 0.000 0.842 20 K CB 1.687 34.218 32.500 0.053 0.000 1.099 20 K HN 0.093 nan 8.250 nan 0.000 0.438 21 L N 6.248 127.430 121.223 -0.069 0.000 2.700 21 L HA 0.013 4.354 4.340 0.001 0.000 0.272 21 L C -2.226 174.357 176.870 -0.478 0.000 1.176 21 L CA -0.480 54.108 54.840 -0.421 0.000 0.961 21 L CB -0.286 41.787 42.059 0.023 0.000 1.249 21 L HN 0.423 nan 8.230 nan 0.000 0.487 22 P HA 0.296 nan 4.420 nan 0.000 0.274 22 P C -0.904 176.201 177.300 -0.325 0.000 1.231 22 P CA -0.012 62.819 63.100 -0.448 0.000 0.790 22 P CB 0.923 32.342 31.700 -0.467 0.000 0.951 23 I N 2.159 122.578 120.570 -0.251 0.000 2.619 23 I HA 0.387 4.557 4.170 0.001 0.000 0.292 23 I C 0.282 176.314 176.117 -0.142 0.000 1.100 23 I CA -0.481 60.685 61.300 -0.224 0.000 1.043 23 I CB 2.087 39.853 38.000 -0.390 0.000 1.239 23 I HN 0.427 nan 8.210 nan 0.000 0.420 24 N N 4.279 122.927 118.700 -0.086 0.000 3.439 24 N HA 0.497 5.238 4.740 0.001 0.000 0.343 24 N C 0.449 175.946 175.510 -0.023 0.000 1.597 24 N CA -0.422 52.597 53.050 -0.051 0.000 0.733 24 N CB 0.600 39.066 38.487 -0.035 0.000 1.973 24 N HN 0.442 nan 8.380 nan 0.000 0.646 25 A N -0.445 122.368 122.820 -0.010 0.000 1.969 25 A HA 0.045 4.365 4.320 0.001 0.000 0.218 25 A C 1.778 179.375 177.584 0.021 0.000 1.169 25 A CA 1.066 53.105 52.037 0.004 0.000 0.635 25 A CB -0.622 18.377 19.000 -0.002 0.000 0.810 25 A HN 0.419 nan 8.150 nan 0.000 0.445 26 L N 0.458 121.696 121.223 0.024 0.000 2.109 26 L HA -0.079 4.261 4.340 0.001 0.000 0.207 26 L C 2.898 179.833 176.870 0.107 0.000 1.086 26 L CA 2.267 57.141 54.840 0.056 0.000 0.760 26 L CB -1.529 40.542 42.059 0.021 0.000 0.910 26 L HN 0.611 nan 8.230 nan 0.000 0.437 27 S N -0.943 114.802 115.700 0.076 0.000 2.387 27 S HA -0.173 4.297 4.470 0.001 0.000 0.226 27 S C 1.816 176.486 174.600 0.116 0.000 1.026 27 S CA 1.079 59.333 58.200 0.090 0.000 0.972 27 S CB -0.623 62.601 63.200 0.040 0.000 0.814 27 S HN 0.486 nan 8.310 nan 0.000 0.477 28 N N 1.437 120.214 118.700 0.129 0.000 2.244 28 N HA -0.127 4.614 4.740 0.001 0.000 0.183 28 N C 1.919 177.479 175.510 0.084 0.000 1.016 28 N CA 1.381 54.539 53.050 0.180 0.000 0.866 28 N CB -0.309 38.287 38.487 0.182 0.000 0.980 28 N HN 0.637 nan 8.380 nan 0.000 0.430 29 S N 0.252 115.987 115.700 0.057 0.000 2.423 29 S HA -0.098 4.372 4.470 0.001 0.000 0.231 29 S C 1.899 176.498 174.600 -0.001 0.000 1.014 29 S CA 0.454 58.661 58.200 0.012 0.000 0.965 29 S CB -0.115 63.102 63.200 0.028 0.000 0.785 29 S HN 0.327 nan 8.310 nan 0.000 0.495 30 L N 0.391 121.608 121.223 -0.011 0.000 2.168 30 L HA 0.509 4.849 4.340 0.001 0.000 0.203 30 L C 0.016 176.922 176.870 0.060 0.000 1.078 30 L CA 1.001 55.818 54.840 -0.037 0.000 0.780 30 L CB 0.021 41.830 42.059 -0.417 0.000 0.939 30 L HN 0.479 nan 8.230 nan 0.000 0.451 31 L N -0.642 120.607 121.223 0.044 0.000 2.516 31 L HA 0.512 4.852 4.340 0.001 0.000 0.267 31 L C 0.390 177.271 176.870 0.017 0.000 0.957 31 L CA 0.385 55.247 54.840 0.038 0.000 0.860 31 L CB 1.154 43.250 42.059 0.062 0.000 1.265 31 L HN 0.127 nan 8.230 nan 0.000 0.403 32 R N 2.839 123.309 120.500 -0.050 0.000 2.225 32 R HA 0.244 4.584 4.340 0.001 0.000 0.194 32 R C 0.579 176.716 176.300 -0.271 0.000 0.957 32 R CA 0.959 56.959 56.100 -0.167 0.000 1.042 32 R CB -0.728 29.568 30.300 -0.006 0.000 1.004 32 R HN 0.819 nan 8.270 nan 0.000 0.509 33 H N 0.712 119.636 119.070 -0.244 0.000 2.799 33 H HA 0.165 4.721 4.556 0.001 0.000 0.225 33 H C 0.242 175.526 175.328 -0.072 0.000 1.904 33 H CA -0.420 55.535 56.048 -0.156 0.000 1.344 33 H CB 0.011 29.742 29.762 -0.051 0.000 1.744 33 H HN 0.654 nan 8.280 nan 0.000 0.542 34 H N 0.645 119.795 119.070 0.133 0.000 2.387 34 H HA -0.131 4.425 4.556 0.000 0.000 0.299 34 H C 1.507 176.904 175.328 0.115 0.000 1.099 34 H CA 0.839 56.947 56.048 0.099 0.000 1.315 34 H CB 0.326 30.119 29.762 0.052 0.000 1.380 34 H HN 0.466 nan 8.280 nan 0.000 0.513 35 N N 0.200 119.026 118.700 0.211 0.000 2.571 35 N HA -0.044 4.696 4.740 0.001 0.000 0.189 35 N C 1.193 176.814 175.510 0.186 0.000 1.154 35 N CA 0.624 53.776 53.050 0.170 0.000 0.907 35 N CB 0.103 38.654 38.487 0.106 0.000 0.977 35 N HN 0.497 nan 8.380 nan 0.000 0.449 36 M N -0.161 119.561 119.600 0.203 0.000 2.435 36 M HA 0.048 4.528 4.480 0.001 0.000 0.265 36 M C 0.133 176.607 176.300 0.290 0.000 1.104 36 M CA 0.489 55.919 55.300 0.217 0.000 1.140 36 M CB 0.582 33.295 32.600 0.188 0.000 1.372 36 M HN -0.249 nan 8.290 nan 0.000 0.456 37 V N 1.690 121.776 119.914 0.286 0.000 2.406 37 V HA 0.191 4.311 4.120 0.001 0.000 0.272 37 V C -0.630 175.714 176.094 0.417 0.000 1.043 37 V CA -0.606 61.873 62.300 0.298 0.000 0.915 37 V CB -0.188 31.805 31.823 0.283 0.000 0.988 37 V HN 0.275 nan 8.190 nan 0.000 0.466 38 Y N 3.132 123.589 120.300 0.262 0.000 2.662 38 Y HA 0.962 5.512 4.550 0.001 0.000 0.335 38 Y C -0.248 175.747 175.900 0.157 0.000 1.066 38 Y CA -1.413 56.851 58.100 0.273 0.000 1.116 38 Y CB 1.831 40.405 38.460 0.190 0.000 1.308 38 Y HN 0.616 nan 8.280 nan 0.000 0.502 39 A N 1.095 124.024 122.820 0.182 0.000 2.386 39 A HA 0.647 4.968 4.320 0.001 0.000 0.311 39 A C -0.298 177.400 177.584 0.190 0.000 1.068 39 A CA -0.448 51.521 52.037 -0.112 0.000 0.743 39 A CB 0.726 19.496 19.000 -0.385 0.000 1.258 39 A HN 1.024 nan 8.150 nan 0.000 0.429 40 T N -0.078 114.572 114.554 0.161 0.000 2.898 40 T HA 0.607 4.958 4.350 0.001 0.000 0.301 40 T C 0.424 175.202 174.700 0.129 0.000 1.049 40 T CA 0.440 62.675 62.100 0.225 0.000 1.095 40 T CB 0.867 69.875 68.868 0.234 0.000 0.976 40 T HN 1.602 nan 8.240 nan 0.000 0.539 41 T N -2.341 112.283 114.554 0.117 0.000 2.778 41 T HA 0.474 4.825 4.350 0.001 0.000 0.293 41 T C 1.450 176.185 174.700 0.058 0.000 1.144 41 T CA -0.208 61.941 62.100 0.082 0.000 1.010 41 T CB 1.095 70.015 68.868 0.086 0.000 1.325 41 T HN 0.756 nan 8.240 nan 0.000 0.515 42 S N 0.391 116.118 115.700 0.045 0.000 2.419 42 S HA -0.193 4.277 4.470 0.001 0.000 0.235 42 S C 1.873 176.479 174.600 0.009 0.000 1.019 42 S CA 0.858 59.073 58.200 0.024 0.000 0.982 42 S CB -0.827 62.387 63.200 0.025 0.000 0.789 42 S HN 0.730 nan 8.310 nan 0.000 0.490 43 R N 1.658 122.170 120.500 0.020 0.000 2.154 43 R HA -0.100 4.240 4.340 0.001 0.000 0.248 43 R C 2.296 178.591 176.300 -0.008 0.000 1.155 43 R CA 1.745 57.849 56.100 0.008 0.000 0.979 43 R CB -0.746 29.566 30.300 0.020 0.000 0.869 43 R HN 0.766 nan 8.270 nan 0.000 0.452 44 S N -0.647 115.052 115.700 -0.001 0.000 2.556 44 S HA 0.258 4.729 4.470 0.001 0.000 0.216 44 S C 1.783 176.359 174.600 -0.040 0.000 0.970 44 S CA 0.178 58.368 58.200 -0.017 0.000 0.912 44 S CB 0.861 64.064 63.200 0.004 0.000 0.790 44 S HN 0.299 nan 8.310 nan 0.000 0.504 45 A N 2.005 124.796 122.820 -0.049 0.000 2.024 45 A HA 0.160 4.480 4.320 0.001 0.000 0.220 45 A C 2.187 179.675 177.584 -0.161 0.000 1.164 45 A CA 1.507 53.492 52.037 -0.086 0.000 0.643 45 A CB -1.474 17.477 19.000 -0.081 0.000 0.806 45 A HN 0.617 nan 8.150 nan 0.000 0.451 46 G N -0.186 108.519 108.800 -0.157 0.000 2.402 46 G HA2 -0.121 3.840 3.960 0.001 0.000 0.216 46 G HA3 -0.121 3.840 3.960 0.001 0.000 0.216 46 G C 1.520 176.317 174.900 -0.173 0.000 1.162 46 G CA 0.923 45.899 45.100 -0.206 0.000 0.777 46 G HN 0.436 nan 8.290 nan 0.000 0.539 47 L N -0.125 121.033 121.223 -0.109 0.000 2.043 47 L HA -0.115 4.225 4.340 0.001 0.000 0.212 47 L C 2.916 179.743 176.870 -0.072 0.000 1.075 47 L CA 1.480 56.274 54.840 -0.076 0.000 0.752 47 L CB -0.281 41.747 42.059 -0.053 0.000 0.891 47 L HN 0.147 nan 8.230 nan 0.000 0.432 48 R N 0.040 120.492 120.500 -0.080 0.000 2.096 48 R HA -0.163 4.177 4.340 0.001 0.000 0.235 48 R C 2.256 178.501 176.300 -0.092 0.000 1.127 48 R CA 1.455 57.520 56.100 -0.059 0.000 0.968 48 R CB -0.242 30.030 30.300 -0.046 0.000 0.861 48 R HN 0.399 nan 8.270 nan 0.000 0.440 49 Q N -0.326 119.342 119.800 -0.220 0.000 2.084 49 Q HA -0.175 4.166 4.340 0.001 0.000 0.202 49 Q C 1.986 177.909 176.000 -0.130 0.000 0.978 49 Q CA 1.825 57.419 55.803 -0.349 0.000 0.844 49 Q CB -0.085 28.151 28.738 -0.837 0.000 0.898 49 Q HN 0.230 nan 8.270 nan 0.000 0.426 50 K N 0.919 121.261 120.400 -0.097 0.000 2.026 50 K HA -0.170 4.150 4.320 0.001 0.000 0.208 50 K C 2.040 178.701 176.600 0.100 0.000 1.048 50 K CA 1.211 57.503 56.287 0.008 0.000 0.929 50 K CB 0.049 32.542 32.500 -0.012 0.000 0.713 50 K HN -0.041 nan 8.250 nan 0.000 0.439 51 K N 0.377 120.828 120.400 0.085 0.000 2.026 51 K HA -0.124 4.197 4.320 0.001 0.000 0.208 51 K C 1.738 178.513 176.600 0.292 0.000 1.048 51 K CA 1.724 58.101 56.287 0.150 0.000 0.929 51 K CB 0.019 32.577 32.500 0.097 0.000 0.713 51 K HN 0.189 nan 8.250 nan 0.000 0.439 52 V N -1.127 118.930 119.914 0.238 0.000 3.573 52 V HA 0.054 4.175 4.120 0.001 0.000 0.270 52 V C 0.314 176.542 176.094 0.224 0.000 1.221 52 V CA 0.539 63.015 62.300 0.293 0.000 1.163 52 V CB -0.074 31.864 31.823 0.191 0.000 0.847 52 V HN 0.029 nan 8.190 nan 0.000 0.468 53 T N 4.348 119.073 114.554 0.285 0.000 2.781 53 T HA 0.692 5.042 4.350 0.001 0.000 0.305 53 T C -0.737 174.113 174.700 0.250 0.000 1.001 53 T CA -0.036 62.217 62.100 0.256 0.000 0.950 53 T CB -0.038 69.079 68.868 0.416 0.000 0.955 53 T HN 0.617 nan 8.240 nan 0.000 0.471 54 F N -0.161 119.896 119.950 0.178 0.000 2.741 54 F HA 0.676 5.203 4.527 0.000 0.000 0.313 54 F C -0.894 174.952 175.800 0.076 0.000 1.153 54 F CA -1.719 56.346 58.000 0.109 0.000 0.931 54 F CB 0.735 39.787 39.000 0.087 0.000 1.335 54 F HN 0.127 nan 8.300 nan 0.000 0.460 55 D N 0.844 121.414 120.400 0.283 0.000 2.304 55 D HA 0.386 5.027 4.640 0.001 0.000 0.250 55 D C -0.841 175.623 176.300 0.272 0.000 1.107 55 D CA -0.091 54.011 54.000 0.169 0.000 0.885 55 D CB 0.947 41.816 40.800 0.116 0.000 1.192 55 D HN 0.541 nan 8.370 nan 0.000 0.436 56 R N 2.488 123.086 120.500 0.163 0.000 2.295 56 R HA 0.497 4.838 4.340 0.001 0.000 0.324 56 R C -0.647 175.707 176.300 0.089 0.000 0.968 56 R CA -0.481 55.725 56.100 0.177 0.000 0.837 56 R CB 1.061 31.430 30.300 0.116 0.000 1.133 56 R HN 0.373 nan 8.270 nan 0.000 0.450 57 L N 2.566 123.836 121.223 0.078 0.000 2.309 57 L HA 0.501 4.841 4.340 0.001 0.000 0.282 57 L C -0.208 176.678 176.870 0.027 0.000 1.036 57 L CA -0.528 54.334 54.840 0.037 0.000 0.806 57 L CB 1.638 43.712 42.059 0.025 0.000 1.220 57 L HN 0.539 nan 8.230 nan 0.000 0.429 58 Q N 2.705 122.509 119.800 0.007 0.000 2.263 58 Q HA 0.522 4.862 4.340 0.001 0.000 0.262 58 Q C -2.089 173.899 176.000 -0.021 0.000 0.984 58 Q CA -0.491 55.311 55.803 -0.002 0.000 0.813 58 Q CB 2.537 31.263 28.738 -0.020 0.000 1.299 58 Q HN 0.438 nan 8.270 nan 0.000 0.428 59 V N 5.456 125.368 119.914 -0.002 0.000 2.483 59 V HA 0.470 4.591 4.120 0.001 0.000 0.297 59 V C -0.281 175.828 176.094 0.024 0.000 1.027 59 V CA -0.620 61.674 62.300 -0.009 0.000 0.855 59 V CB 1.519 33.339 31.823 -0.004 0.000 0.995 59 V HN 0.768 nan 8.190 nan 0.000 0.424 60 L N 4.592 125.775 121.223 -0.068 0.000 2.375 60 L HA 0.755 5.095 4.340 0.001 0.000 0.268 60 L C -0.296 176.580 176.870 0.010 0.000 1.058 60 L CA -0.485 54.267 54.840 -0.147 0.000 0.803 60 L CB 1.758 43.565 42.059 -0.420 0.000 1.212 60 L HN 0.807 nan 8.230 nan 0.000 0.451 61 D N -1.639 118.818 120.400 0.096 0.000 2.732 61 D HA 0.174 4.814 4.640 0.001 0.000 0.292 61 D C -0.106 176.244 176.300 0.084 0.000 1.135 61 D CA -0.601 53.457 54.000 0.097 0.000 1.071 61 D CB 0.749 41.632 40.800 0.140 0.000 1.457 61 D HN 0.298 nan 8.370 nan 0.000 0.547 62 D N -1.626 118.769 120.400 -0.009 0.000 2.264 62 D HA -0.098 4.542 4.640 0.001 0.000 0.208 62 D C 1.496 177.787 176.300 -0.015 0.000 0.966 62 D CA 0.987 54.962 54.000 -0.042 0.000 0.864 62 D CB 0.001 40.732 40.800 -0.115 0.000 0.933 62 D HN 0.342 nan 8.370 nan 0.000 0.499 63 H N -0.915 118.215 119.070 0.099 0.000 2.293 63 H HA -0.153 4.403 4.556 0.000 0.000 0.300 63 H C 1.843 177.200 175.328 0.049 0.000 1.082 63 H CA 1.217 57.317 56.048 0.086 0.000 1.308 63 H CB -0.807 29.038 29.762 0.138 0.000 1.375 63 H HN 0.325 nan 8.280 nan 0.000 0.495 64 Y N 1.908 122.216 120.300 0.013 0.000 2.128 64 Y HA -0.256 4.294 4.550 0.001 0.000 0.284 64 Y C 2.703 178.542 175.900 -0.101 0.000 1.154 64 Y CA 1.676 59.661 58.100 -0.192 0.000 1.149 64 Y CB -0.030 38.158 38.460 -0.454 0.000 0.976 64 Y HN -0.010 nan 8.280 nan 0.000 0.505 65 R N 0.002 120.596 120.500 0.157 0.000 2.096 65 R HA -0.154 4.187 4.340 0.001 0.000 0.235 65 R C 1.703 177.999 176.300 -0.006 0.000 1.127 65 R CA 1.485 57.628 56.100 0.073 0.000 0.968 65 R CB -0.272 30.075 30.300 0.079 0.000 0.861 65 R HN 0.416 nan 8.270 nan 0.000 0.440 66 D N -0.071 120.334 120.400 0.008 0.000 2.123 66 D HA -0.092 4.548 4.640 0.001 0.000 0.200 66 D C 1.959 178.245 176.300 -0.023 0.000 0.976 66 D CA 0.956 54.960 54.000 0.007 0.000 0.831 66 D CB -0.092 40.735 40.800 0.046 0.000 0.974 66 D HN -0.018 nan 8.370 nan 0.000 0.469 67 V N 1.171 121.050 119.914 -0.059 0.000 2.358 67 V HA -0.182 3.938 4.120 0.001 0.000 0.246 67 V C 2.432 178.455 176.094 -0.118 0.000 1.047 67 V CA 0.883 63.129 62.300 -0.090 0.000 1.035 67 V CB -0.386 31.348 31.823 -0.148 0.000 0.658 67 V HN 0.137 nan 8.190 nan 0.000 0.452 68 L N 0.193 121.285 121.223 -0.219 0.000 2.079 68 L HA -0.168 4.173 4.340 0.001 0.000 0.210 68 L C 2.308 179.120 176.870 -0.098 0.000 1.081 68 L CA 1.954 56.667 54.840 -0.211 0.000 0.752 68 L CB -0.736 41.149 42.059 -0.290 0.000 0.896 68 L HN 0.217 nan 8.230 nan 0.000 0.433 69 K N -0.629 119.733 120.400 -0.063 0.000 2.097 69 K HA -0.146 4.175 4.320 0.001 0.000 0.205 69 K C 1.957 178.545 176.600 -0.021 0.000 1.050 69 K CA 1.601 57.869 56.287 -0.032 0.000 0.938 69 K CB -0.064 32.426 32.500 -0.017 0.000 0.718 69 K HN 0.450 nan 8.250 nan 0.000 0.442 70 E N 0.466 120.657 120.200 -0.015 0.000 2.077 70 E HA -0.172 4.179 4.350 0.001 0.000 0.193 70 E C 1.993 178.595 176.600 0.003 0.000 0.989 70 E CA 1.312 57.714 56.400 0.004 0.000 0.800 70 E CB -0.030 29.683 29.700 0.023 0.000 0.746 70 E HN 0.256 nan 8.360 nan 0.000 0.452 71 M N 0.548 120.147 119.600 -0.002 0.000 2.117 71 M HA -0.176 4.305 4.480 0.001 0.000 0.262 71 M C 2.119 178.398 176.300 -0.035 0.000 1.065 71 M CA 1.471 56.764 55.300 -0.012 0.000 1.114 71 M CB -0.129 32.462 32.600 -0.014 0.000 1.361 71 M HN -0.056 nan 8.290 nan 0.000 0.408 72 K N 0.236 120.613 120.400 -0.037 0.000 2.097 72 K HA -0.055 4.266 4.320 0.001 0.000 0.205 72 K C 2.102 178.689 176.600 -0.022 0.000 1.050 72 K CA 1.318 57.586 56.287 -0.033 0.000 0.938 72 K CB -0.237 32.244 32.500 -0.032 0.000 0.718 72 K HN 0.296 nan 8.250 nan 0.000 0.442 73 A N 1.879 124.689 122.820 -0.017 0.000 1.933 73 A HA -0.183 4.137 4.320 0.001 0.000 0.218 73 A C 1.873 179.448 177.584 -0.015 0.000 1.175 73 A CA 1.435 53.465 52.037 -0.012 0.000 0.628 73 A CB -0.201 18.796 19.000 -0.006 0.000 0.814 73 A HN 0.186 nan 8.150 nan 0.000 0.444 74 K N -0.457 119.931 120.400 -0.021 0.000 2.062 74 K HA 0.046 4.366 4.320 0.001 0.000 0.205 74 K C 2.305 178.884 176.600 -0.036 0.000 1.051 74 K CA 0.892 57.161 56.287 -0.030 0.000 0.941 74 K CB -0.302 32.174 32.500 -0.041 0.000 0.719 74 K HN 0.408 nan 8.250 nan 0.000 0.440 75 A N 1.229 124.027 122.820 -0.036 0.000 1.986 75 A HA -0.173 4.148 4.320 0.001 0.000 0.220 75 A C 2.054 179.629 177.584 -0.014 0.000 1.171 75 A CA 1.881 53.901 52.037 -0.028 0.000 0.640 75 A CB -0.485 18.502 19.000 -0.022 0.000 0.811 75 A HN 0.179 nan 8.150 nan 0.000 0.451 76 S N -0.580 115.113 115.700 -0.013 0.000 2.515 76 S HA -0.059 4.412 4.470 0.001 0.000 0.231 76 S C 1.790 176.385 174.600 -0.007 0.000 0.987 76 S CA 1.351 59.547 58.200 -0.006 0.000 0.936 76 S CB -0.373 62.823 63.200 -0.005 0.000 0.766 76 S HN 0.904 nan 8.310 nan 0.000 0.528 77 T N -0.944 113.602 114.554 -0.013 0.000 3.107 77 T HA 0.228 4.578 4.350 0.001 0.000 0.249 77 T C 0.412 175.102 174.700 -0.017 0.000 1.096 77 T CA -0.156 61.935 62.100 -0.014 0.000 1.012 77 T CB -0.209 68.648 68.868 -0.018 0.000 0.977 77 T HN 0.016 nan 8.240 nan 0.000 0.527 78 V N 2.284 122.187 119.914 -0.018 0.000 2.465 78 V HA 0.392 4.512 4.120 0.001 0.000 0.279 78 V C -0.014 176.074 176.094 -0.010 0.000 1.045 78 V CA -0.854 61.434 62.300 -0.020 0.000 0.938 78 V CB 1.119 32.926 31.823 -0.026 0.000 0.986 78 V HN 0.361 nan 8.190 nan 0.000 0.467 79 K N 3.584 123.978 120.400 -0.011 0.000 2.221 79 K HA 0.876 5.196 4.320 0.001 0.000 0.258 79 K C -0.523 176.073 176.600 -0.006 0.000 0.944 79 K CA -0.480 55.804 56.287 -0.004 0.000 0.823 79 K CB 2.382 34.881 32.500 -0.002 0.000 1.113 79 K HN 0.782 nan 8.250 nan 0.000 0.431 80 A N 2.287 125.107 122.820 0.001 0.000 2.556 80 A HA 0.581 4.901 4.320 0.001 0.000 0.294 80 A C -1.390 176.201 177.584 0.011 0.000 1.091 80 A CA -0.947 51.090 52.037 0.000 0.000 0.704 80 A CB 1.387 20.381 19.000 -0.009 0.000 1.300 80 A HN 0.806 nan 8.150 nan 0.000 0.406 81 K N 1.114 121.522 120.400 0.013 0.000 2.281 81 K HA 0.791 5.111 4.320 0.001 0.000 0.242 81 K C -1.164 175.446 176.600 0.018 0.000 0.971 81 K CA -0.742 55.554 56.287 0.014 0.000 0.834 81 K CB 1.465 33.968 32.500 0.004 0.000 1.181 81 K HN 0.521 nan 8.250 nan 0.000 0.435 82 L N 2.770 124.001 121.223 0.013 0.000 2.453 82 L HA 0.147 4.487 4.340 0.001 0.000 0.272 82 L C 0.061 176.891 176.870 -0.067 0.000 1.182 82 L CA -0.549 54.283 54.840 -0.013 0.000 0.858 82 L CB 0.314 42.364 42.059 -0.014 0.000 1.120 82 L HN 0.475 nan 8.230 nan 0.000 0.474 83 L N 2.635 123.795 121.223 -0.105 0.000 2.417 83 L HA 0.209 4.549 4.340 0.001 0.000 0.268 83 L C 0.823 177.546 176.870 -0.246 0.000 1.158 83 L CA -0.311 54.434 54.840 -0.158 0.000 0.819 83 L CB 1.321 43.275 42.059 -0.176 0.000 1.112 83 L HN 0.731 nan 8.230 nan 0.000 0.458 84 S N 1.264 116.833 115.700 -0.218 0.000 2.608 84 S HA 0.148 4.618 4.470 0.001 0.000 0.261 84 S C 1.169 175.583 174.600 -0.311 0.000 1.314 84 S CA -0.912 57.134 58.200 -0.257 0.000 0.992 84 S CB 1.396 64.496 63.200 -0.166 0.000 0.935 84 S HN 0.341 nan 8.310 nan 0.000 0.564 85 V N 1.525 121.220 119.914 -0.365 0.000 2.332 85 V HA -0.179 3.941 4.120 0.001 0.000 0.248 85 V C 2.640 178.594 176.094 -0.232 0.000 1.055 85 V CA 2.432 64.508 62.300 -0.373 0.000 1.038 85 V CB -1.334 30.185 31.823 -0.506 0.000 0.651 85 V HN 0.871 nan 8.190 nan 0.000 0.450 86 E N -0.034 120.064 120.200 -0.171 0.000 2.077 86 E HA -0.200 4.150 4.350 0.001 0.000 0.193 86 E C 2.203 178.717 176.600 -0.144 0.000 0.989 86 E CA 1.370 57.694 56.400 -0.128 0.000 0.800 86 E CB -0.223 29.422 29.700 -0.091 0.000 0.746 86 E HN 0.674 nan 8.360 nan 0.000 0.452 87 E N 0.232 120.333 120.200 -0.165 0.000 2.051 87 E HA -0.178 4.173 4.350 0.001 0.000 0.192 87 E C 2.074 178.537 176.600 -0.228 0.000 0.991 87 E CA 1.036 57.324 56.400 -0.187 0.000 0.799 87 E CB -0.184 29.401 29.700 -0.191 0.000 0.748 87 E HN 0.282 nan 8.360 nan 0.000 0.449 88 A N 0.731 123.411 122.820 -0.232 0.000 1.902 88 A HA -0.216 4.105 4.320 0.001 0.000 0.217 88 A C 2.431 179.913 177.584 -0.171 0.000 1.181 88 A CA 1.309 53.212 52.037 -0.222 0.000 0.623 88 A CB -0.957 17.920 19.000 -0.205 0.000 0.818 88 A HN 0.384 nan 8.150 nan 0.000 0.443 89 C N -0.559 118.651 119.300 -0.150 0.000 2.413 89 C HA -0.124 4.336 4.460 0.001 0.000 0.276 89 C C 2.683 177.606 174.990 -0.112 0.000 1.236 89 C CA 1.479 60.429 59.018 -0.112 0.000 1.735 89 C CB -1.076 26.601 27.740 -0.105 0.000 2.031 89 C HN 0.614 nan 8.230 nan 0.000 0.474 90 K N 0.271 120.594 120.400 -0.130 0.000 2.283 90 K HA 0.011 4.332 4.320 0.001 0.000 0.202 90 K C 1.258 177.773 176.600 -0.140 0.000 1.048 90 K CA 0.886 57.099 56.287 -0.122 0.000 0.948 90 K CB -0.135 32.295 32.500 -0.118 0.000 0.742 90 K HN 0.531 nan 8.250 nan 0.000 0.458 91 L N 1.022 122.134 121.223 -0.185 0.000 2.653 91 L HA 0.065 4.406 4.340 0.001 0.000 0.231 91 L C 0.102 176.894 176.870 -0.131 0.000 1.153 91 L CA -0.098 54.618 54.840 -0.206 0.000 0.933 91 L CB 0.190 42.004 42.059 -0.407 0.000 1.175 91 L HN -0.059 nan 8.230 nan 0.000 0.473 92 T N 2.028 116.520 114.554 -0.103 0.000 2.794 92 T HA 0.224 4.575 4.350 0.001 0.000 0.296 92 T C -2.231 172.430 174.700 -0.064 0.000 0.949 92 T CA -1.053 61.009 62.100 -0.064 0.000 1.101 92 T CB 0.919 69.759 68.868 -0.047 0.000 0.905 92 T HN -0.085 nan 8.240 nan 0.000 0.516 93 P HA 0.104 nan 4.420 nan 0.000 0.265 93 P C -1.680 175.569 177.300 -0.086 0.000 1.193 93 P CA -1.364 61.701 63.100 -0.057 0.000 0.765 93 P CB 0.223 31.906 31.700 -0.028 0.000 0.823 94 P HA -0.148 nan 4.420 nan 0.000 0.218 94 P C 0.377 177.473 177.300 -0.340 0.000 1.149 94 P CA 1.749 64.679 63.100 -0.283 0.000 0.817 94 P CB -0.123 31.322 31.700 -0.426 0.000 0.785 95 H N -0.623 118.420 119.070 -0.046 0.000 2.524 95 H HA 0.209 4.765 4.556 0.000 0.000 0.299 95 H C 0.752 176.041 175.328 -0.064 0.000 1.074 95 H CA -0.348 55.673 56.048 -0.046 0.000 1.115 95 H CB -0.369 29.364 29.762 -0.047 0.000 1.522 95 H HN 0.158 nan 8.280 nan 0.000 0.543 96 S N 0.178 115.875 115.700 -0.005 0.000 2.632 96 S HA 0.579 5.049 4.470 0.001 0.000 0.267 96 S C 0.727 175.290 174.600 -0.062 0.000 1.276 96 S CA -0.794 57.374 58.200 -0.054 0.000 0.998 96 S CB 1.488 64.651 63.200 -0.061 0.000 0.953 96 S HN 0.368 nan 8.310 nan 0.000 0.547 97 A N 2.322 125.069 122.820 -0.122 0.000 2.520 97 A HA 0.300 4.620 4.320 0.001 0.000 0.245 97 A C 0.932 178.496 177.584 -0.034 0.000 1.072 97 A CA -0.581 51.407 52.037 -0.081 0.000 0.761 97 A CB -0.254 18.672 19.000 -0.125 0.000 1.004 97 A HN 0.888 nan 8.150 nan 0.000 0.499 98 K N 2.097 122.478 120.400 -0.031 0.000 2.397 98 K HA 0.156 4.476 4.320 0.001 0.000 0.265 98 K C 0.270 176.801 176.600 -0.116 0.000 0.982 98 K CA 0.243 56.486 56.287 -0.075 0.000 0.931 98 K CB 0.290 32.755 32.500 -0.058 0.000 0.943 98 K HN 0.483 nan 8.250 nan 0.000 0.501 99 S N 0.336 115.860 115.700 -0.293 0.000 2.592 99 S HA 0.085 4.556 4.470 0.001 0.000 0.271 99 S C 0.703 175.165 174.600 -0.230 0.000 1.326 99 S CA -0.512 57.497 58.200 -0.318 0.000 1.024 99 S CB 0.782 63.494 63.200 -0.814 0.000 0.921 99 S HN 0.655 nan 8.310 nan 0.000 0.527 100 K N 2.203 122.462 120.400 -0.235 0.000 2.519 100 K HA 0.006 4.326 4.320 0.001 0.000 0.196 100 K C -0.079 176.197 176.600 -0.541 0.000 1.041 100 K CA 1.101 57.116 56.287 -0.452 0.000 0.954 100 K CB -0.146 31.926 32.500 -0.713 0.000 0.774 100 K HN 0.638 nan 8.250 nan 0.000 0.480 101 F N -0.359 119.593 119.950 0.004 0.000 2.708 101 F HA 0.259 4.786 4.527 0.001 0.000 0.300 101 F C 0.958 176.883 175.800 0.209 0.000 1.118 101 F CA -0.306 57.789 58.000 0.158 0.000 1.307 101 F CB 1.242 40.501 39.000 0.431 0.000 0.986 101 F HN 0.018 nan 8.300 nan 0.000 0.522 102 G N 0.610 109.512 108.800 0.169 0.000 2.141 102 G HA2 -0.234 3.727 3.960 0.001 0.000 0.195 102 G HA3 -0.234 3.727 3.960 0.001 0.000 0.195 102 G C -0.496 174.570 174.900 0.276 0.000 1.012 102 G CA -0.086 45.132 45.100 0.196 0.000 0.696 102 G HN 0.534 nan 8.290 nan 0.000 0.508 103 Y N -2.452 117.914 120.300 0.111 0.000 2.604 103 Y HA 0.734 5.285 4.550 0.000 0.000 0.331 103 Y C 0.328 176.266 175.900 0.062 0.000 1.158 103 Y CA -0.937 57.211 58.100 0.081 0.000 1.056 103 Y CB 0.534 39.048 38.460 0.090 0.000 1.330 103 Y HN 0.690 nan 8.280 nan 0.000 0.457 104 G N 0.186 109.074 108.800 0.147 0.000 3.075 104 G HA2 0.554 4.514 3.960 0.001 0.000 0.253 104 G HA3 0.554 4.514 3.960 0.001 0.000 0.253 104 G C 0.211 175.178 174.900 0.112 0.000 1.353 104 G CA -0.758 44.374 45.100 0.053 0.000 1.051 104 G HN 1.199 nan 8.290 nan 0.000 0.553 105 A N -0.683 122.161 122.820 0.039 0.000 1.968 105 A HA 0.081 4.402 4.320 0.001 0.000 0.217 105 A C 2.232 179.819 177.584 0.006 0.000 1.169 105 A CA 1.415 53.465 52.037 0.021 0.000 0.638 105 A CB -0.260 18.720 19.000 -0.032 0.000 0.812 105 A HN 0.384 nan 8.150 nan 0.000 0.446 106 K N 0.401 120.798 120.400 -0.005 0.000 2.097 106 K HA -0.111 4.209 4.320 0.001 0.000 0.205 106 K C 1.277 177.885 176.600 0.013 0.000 1.050 106 K CA 1.266 57.544 56.287 -0.016 0.000 0.938 106 K CB -0.426 32.064 32.500 -0.018 0.000 0.718 106 K HN 0.482 nan 8.250 nan 0.000 0.442 107 D N 0.778 121.213 120.400 0.059 0.000 2.097 107 D HA -0.121 4.520 4.640 0.001 0.000 0.195 107 D C 2.105 178.423 176.300 0.029 0.000 0.989 107 D CA 0.845 54.886 54.000 0.067 0.000 0.827 107 D CB -0.178 40.714 40.800 0.154 0.000 0.966 107 D HN -0.118 nan 8.370 nan 0.000 0.456 108 V N 1.221 121.173 119.914 0.063 0.000 2.233 108 V HA -0.280 3.840 4.120 0.001 0.000 0.247 108 V C 2.562 178.639 176.094 -0.028 0.000 1.050 108 V CA 1.799 64.107 62.300 0.013 0.000 1.010 108 V CB -0.440 31.423 31.823 0.067 0.000 0.637 108 V HN 0.099 nan 8.190 nan 0.000 0.444 109 R N 0.386 120.869 120.500 -0.029 0.000 2.117 109 R HA -0.135 4.205 4.340 0.001 0.000 0.243 109 R C 1.518 177.789 176.300 -0.049 0.000 1.143 109 R CA 1.595 57.665 56.100 -0.051 0.000 0.968 109 R CB -0.301 29.963 30.300 -0.059 0.000 0.863 109 R HN 0.508 nan 8.270 nan 0.000 0.444 110 N N 0.633 119.312 118.700 -0.036 0.000 2.313 110 N HA 0.109 4.850 4.740 0.001 0.000 0.207 110 N C -0.321 175.167 175.510 -0.037 0.000 1.141 110 N CA 0.161 53.191 53.050 -0.034 0.000 0.830 110 N CB 0.352 38.825 38.487 -0.023 0.000 1.008 110 N HN 0.124 nan 8.380 nan 0.000 0.481 111 L N 0.348 121.543 121.223 -0.047 0.000 3.660 111 L HA -0.226 4.114 4.340 0.001 0.000 0.440 111 L C 0.302 177.142 176.870 -0.051 0.000 1.262 111 L CA 0.003 54.810 54.840 -0.054 0.000 0.837 111 L CB -2.306 39.724 42.059 -0.048 0.000 1.689 111 L HN 0.111 nan 8.230 nan 0.000 0.890 112 S N 0.166 115.833 115.700 -0.055 0.000 2.558 112 S HA 0.134 4.604 4.470 0.001 0.000 0.293 112 S C 1.590 176.144 174.600 -0.077 0.000 1.292 112 S CA 0.205 58.371 58.200 -0.056 0.000 1.063 112 S CB 1.249 64.417 63.200 -0.054 0.000 0.831 112 S HN 0.552 nan 8.310 nan 0.000 0.499 113 S N 4.736 120.404 115.700 -0.052 0.000 2.399 113 S HA -0.148 4.322 4.470 0.001 0.000 0.231 113 S C 1.756 176.316 174.600 -0.066 0.000 1.022 113 S CA 1.121 59.292 58.200 -0.049 0.000 0.983 113 S CB -0.439 62.742 63.200 -0.032 0.000 0.803 113 S HN 0.844 nan 8.310 nan 0.000 0.480 114 K N 1.778 122.136 120.400 -0.069 0.000 2.009 114 K HA -0.093 4.227 4.320 0.001 0.000 0.210 114 K C 2.398 178.822 176.600 -0.293 0.000 1.049 114 K CA 1.408 57.645 56.287 -0.082 0.000 0.929 114 K CB -0.693 31.807 32.500 -0.000 0.000 0.714 114 K HN 0.441 nan 8.250 nan 0.000 0.440 115 A N 0.431 122.940 122.820 -0.519 0.000 1.858 115 A HA -0.128 4.192 4.320 0.001 0.000 0.216 115 A C 2.280 179.606 177.584 -0.430 0.000 1.190 115 A CA 1.819 53.262 52.037 -0.990 0.000 0.617 115 A CB -0.836 17.762 19.000 -0.670 0.000 0.827 115 A HN 0.181 nan 8.150 nan 0.000 0.443 116 V N 1.066 120.855 119.914 -0.208 0.000 2.287 116 V HA -0.300 3.820 4.120 0.001 0.000 0.248 116 V C 2.334 178.479 176.094 0.086 0.000 1.053 116 V CA 2.325 64.597 62.300 -0.045 0.000 1.027 116 V CB -1.101 30.721 31.823 -0.002 0.000 0.646 116 V HN 0.558 nan 8.190 nan 0.000 0.447 117 N N -0.663 118.055 118.700 0.030 0.000 2.120 117 N HA -0.170 4.571 4.740 0.001 0.000 0.188 117 N C 1.807 177.382 175.510 0.109 0.000 1.024 117 N CA 1.773 54.857 53.050 0.057 0.000 0.852 117 N CB -0.544 37.943 38.487 -0.000 0.000 1.003 117 N HN 0.743 nan 8.380 nan 0.000 0.424 118 H N 0.085 119.117 119.070 -0.063 0.000 2.321 118 H HA 0.045 4.601 4.556 0.000 0.000 0.300 118 H C 2.006 177.331 175.328 -0.005 0.000 1.087 118 H CA 1.216 57.242 56.048 -0.038 0.000 1.319 118 H CB 0.012 29.776 29.762 0.003 0.000 1.379 118 H HN 0.073 nan 8.280 nan 0.000 0.501 119 I N 0.315 120.943 120.570 0.097 0.000 2.208 119 I HA -0.330 3.840 4.170 0.001 0.000 0.245 119 I C 2.421 178.577 176.117 0.067 0.000 1.097 119 I CA 1.201 62.508 61.300 0.012 0.000 1.363 119 I CB -0.420 37.516 38.000 -0.106 0.000 1.051 119 I HN 0.465 nan 8.210 nan 0.000 0.413 120 H N 0.384 119.487 119.070 0.056 0.000 2.352 120 H HA -0.158 4.398 4.556 0.000 0.000 0.299 120 H C 2.623 178.034 175.328 0.139 0.000 1.097 120 H CA 2.037 58.134 56.048 0.082 0.000 1.311 120 H CB -0.198 29.581 29.762 0.028 0.000 1.377 120 H HN 0.436 nan 8.280 nan 0.000 0.504 121 S N 0.341 116.178 115.700 0.227 0.000 2.368 121 S HA -0.103 4.367 4.470 0.001 0.000 0.225 121 S C 2.390 177.073 174.600 0.138 0.000 1.030 121 S CA 1.380 59.664 58.200 0.140 0.000 0.999 121 S CB -0.914 62.310 63.200 0.040 0.000 0.844 121 S HN 0.112 nan 8.310 nan 0.000 0.459 122 V N 0.726 120.753 119.914 0.188 0.000 2.407 122 V HA -0.133 3.987 4.120 0.001 0.000 0.248 122 V C 2.227 178.414 176.094 0.154 0.000 1.055 122 V CA 1.783 64.168 62.300 0.141 0.000 1.049 122 V CB -1.126 30.770 31.823 0.121 0.000 0.662 122 V HN 0.679 nan 8.190 nan 0.000 0.455 123 W N 1.331 122.625 121.300 -0.010 0.000 2.354 123 W HA -0.239 4.421 4.660 0.000 0.000 0.315 123 W C 2.576 179.093 176.519 -0.004 0.000 1.206 123 W CA 2.278 59.610 57.345 -0.022 0.000 1.290 123 W CB -0.113 29.317 29.460 -0.049 0.000 1.152 123 W HN 0.218 nan 8.180 nan 0.000 0.489 124 K N 0.598 121.077 120.400 0.132 0.000 2.103 124 K HA -0.276 4.045 4.320 0.001 0.000 0.207 124 K C 1.660 178.216 176.600 -0.074 0.000 1.048 124 K CA 2.281 58.577 56.287 0.016 0.000 0.930 124 K CB -0.553 31.994 32.500 0.079 0.000 0.716 124 K HN 0.095 nan 8.250 nan 0.000 0.444 125 D N 0.158 120.530 120.400 -0.047 0.000 2.149 125 D HA -0.112 4.529 4.640 0.001 0.000 0.201 125 D C 2.039 178.267 176.300 -0.120 0.000 0.972 125 D CA 0.764 54.726 54.000 -0.063 0.000 0.835 125 D CB 0.079 40.861 40.800 -0.030 0.000 0.966 125 D HN 0.196 nan 8.370 nan 0.000 0.476 126 L N 0.023 121.139 121.223 -0.178 0.000 2.079 126 L HA -0.155 4.185 4.340 0.001 0.000 0.210 126 L C 2.379 179.064 176.870 -0.309 0.000 1.081 126 L CA 0.778 55.464 54.840 -0.256 0.000 0.752 126 L CB -0.342 41.507 42.059 -0.350 0.000 0.896 126 L HN 0.244 nan 8.230 nan 0.000 0.433 127 L N -1.067 119.928 121.223 -0.379 0.000 2.179 127 L HA -0.127 4.213 4.340 0.001 0.000 0.208 127 L C 2.210 178.977 176.870 -0.172 0.000 1.096 127 L CA 1.012 55.667 54.840 -0.308 0.000 0.779 127 L CB -0.375 41.485 42.059 -0.330 0.000 0.922 127 L HN 0.240 nan 8.230 nan 0.000 0.443 128 E N -0.883 119.236 120.200 -0.135 0.000 2.385 128 E HA -0.060 4.290 4.350 0.001 0.000 0.194 128 E C 0.039 176.596 176.600 -0.072 0.000 1.013 128 E CA 0.224 56.574 56.400 -0.084 0.000 0.866 128 E CB 0.369 30.033 29.700 -0.060 0.000 0.832 128 E HN 0.178 nan 8.360 nan 0.000 0.500 129 D N 0.088 120.438 120.400 -0.084 0.000 2.575 129 D HA 0.036 4.676 4.640 0.001 0.000 0.250 129 D C -0.203 176.049 176.300 -0.081 0.000 1.279 129 D CA -0.299 53.661 54.000 -0.067 0.000 0.925 129 D CB 1.388 42.155 40.800 -0.055 0.000 1.261 129 D HN -0.053 nan 8.370 nan 0.000 0.567 130 T N 0.564 115.076 114.554 -0.069 0.000 3.215 130 T HA 0.251 4.601 4.350 0.001 0.000 0.271 130 T C 1.081 175.749 174.700 -0.053 0.000 1.012 130 T CA 0.425 62.482 62.100 -0.072 0.000 0.899 130 T CB -0.236 68.591 68.868 -0.067 0.000 1.089 130 T HN 0.201 nan 8.240 nan 0.000 0.552 131 V N -3.363 116.524 119.914 -0.044 0.000 3.229 131 V HA 0.384 4.504 4.120 0.001 0.000 0.239 131 V C 0.663 176.745 176.094 -0.020 0.000 1.390 131 V CA -0.024 62.259 62.300 -0.029 0.000 1.231 131 V CB -0.266 31.544 31.823 -0.022 0.000 1.025 131 V HN 0.276 nan 8.190 nan 0.000 0.461 132 T N 4.999 119.540 114.554 -0.021 0.000 2.793 132 T HA 0.307 4.657 4.350 0.001 0.000 0.289 132 T C -2.432 172.263 174.700 -0.009 0.000 0.956 132 T CA -0.011 62.084 62.100 -0.008 0.000 1.177 132 T CB 0.605 69.468 68.868 -0.008 0.000 0.897 132 T HN 0.409 nan 8.240 nan 0.000 0.533 133 P HA 0.180 nan 4.420 nan 0.000 0.266 133 P C -0.260 177.028 177.300 -0.019 0.000 1.195 133 P CA -0.121 62.978 63.100 -0.001 0.000 0.768 133 P CB 0.444 32.176 31.700 0.053 0.000 0.838 134 I N 2.139 122.682 120.570 -0.047 0.000 2.392 134 I HA 0.180 4.350 4.170 0.001 0.000 0.295 134 I C 0.729 176.821 176.117 -0.042 0.000 0.985 134 I CA -0.624 60.656 61.300 -0.034 0.000 1.221 134 I CB 1.110 39.083 38.000 -0.046 0.000 1.366 134 I HN 0.293 nan 8.210 nan 0.000 0.467 135 D N 4.042 124.434 120.400 -0.013 0.000 2.443 135 D HA 0.151 4.791 4.640 0.001 0.000 0.239 135 D C -0.346 175.918 176.300 -0.061 0.000 1.136 135 D CA 0.425 54.406 54.000 -0.032 0.000 0.879 135 D CB 0.774 41.577 40.800 0.004 0.000 1.195 135 D HN 0.585 nan 8.370 nan 0.000 0.443 136 T N -0.638 113.849 114.554 -0.111 0.000 2.906 136 T HA 0.592 4.942 4.350 0.001 0.000 0.295 136 T C -0.124 174.426 174.700 -0.251 0.000 1.061 136 T CA -0.997 60.998 62.100 -0.176 0.000 1.000 136 T CB 1.553 70.337 68.868 -0.142 0.000 1.103 136 T HN 0.307 nan 8.240 nan 0.000 0.486 137 T N 0.984 115.244 114.554 -0.491 0.000 2.902 137 T HA 0.664 5.014 4.350 0.001 0.000 0.283 137 T C -0.517 173.910 174.700 -0.455 0.000 1.009 137 T CA -1.000 60.818 62.100 -0.471 0.000 1.051 137 T CB 0.811 69.416 68.868 -0.438 0.000 0.999 137 T HN 0.805 nan 8.240 nan 0.000 0.474 138 I N 4.447 124.923 120.570 -0.157 0.000 2.433 138 I HA 0.564 4.734 4.170 0.001 0.000 0.292 138 I C -1.032 175.128 176.117 0.073 0.000 1.001 138 I CA -0.991 60.312 61.300 0.005 0.000 1.119 138 I CB 1.289 39.347 38.000 0.097 0.000 1.289 138 I HN 0.637 nan 8.210 nan 0.000 0.438 139 M N 6.161 125.854 119.600 0.155 0.000 2.619 139 M HA 0.548 5.028 4.480 0.001 0.000 0.297 139 M C -0.674 175.699 176.300 0.122 0.000 1.229 139 M CA -0.669 54.723 55.300 0.154 0.000 0.860 139 M CB 1.740 34.477 32.600 0.229 0.000 1.741 139 M HN 0.587 nan 8.290 nan 0.000 0.462 140 A N 1.725 124.597 122.820 0.087 0.000 2.289 140 A HA 0.546 4.867 4.320 0.001 0.000 0.298 140 A C -0.120 177.508 177.584 0.074 0.000 1.208 140 A CA -0.532 51.547 52.037 0.070 0.000 0.845 140 A CB 0.372 19.400 19.000 0.047 0.000 1.125 140 A HN 0.755 nan 8.150 nan 0.000 0.517 141 K N 1.622 122.067 120.400 0.074 0.000 2.237 141 K HA 0.127 4.448 4.320 0.001 0.000 0.270 141 K C -0.608 176.014 176.600 0.036 0.000 1.015 141 K CA 0.059 56.377 56.287 0.052 0.000 0.949 141 K CB 0.539 33.072 32.500 0.055 0.000 0.976 141 K HN 0.776 nan 8.250 nan 0.000 0.472 142 N N 2.590 121.286 118.700 -0.006 0.000 2.589 142 N HA 0.101 4.842 4.740 0.001 0.000 0.232 142 N C -1.297 174.123 175.510 -0.150 0.000 1.015 142 N CA -0.321 52.701 53.050 -0.047 0.000 0.931 142 N CB 0.933 39.397 38.487 -0.039 0.000 1.150 142 N HN 0.373 nan 8.380 nan 0.000 0.512 143 E N 0.830 120.929 120.200 -0.169 0.000 2.288 143 E HA 0.427 4.778 4.350 0.001 0.000 0.268 143 E C -0.834 175.378 176.600 -0.648 0.000 0.885 143 E CA -1.039 55.132 56.400 -0.382 0.000 0.767 143 E CB 2.499 32.032 29.700 -0.279 0.000 1.220 143 E HN 0.072 nan 8.360 nan 0.000 0.427 144 V N 2.918 122.275 119.914 -0.929 0.000 2.439 144 V HA 0.444 4.564 4.120 0.001 0.000 0.282 144 V C -0.669 174.736 176.094 -1.147 0.000 1.039 144 V CA -0.262 61.471 62.300 -0.947 0.000 0.913 144 V CB -0.096 31.212 31.823 -0.858 0.000 0.983 144 V HN 0.515 nan 8.190 nan 0.000 0.460 145 F N 2.332 121.926 119.950 -0.593 0.000 2.629 145 F HA 0.611 5.139 4.527 0.000 0.000 0.316 145 F C 0.113 175.696 175.800 -0.362 0.000 1.081 145 F CA -0.695 57.023 58.000 -0.470 0.000 0.954 145 F CB 1.501 40.203 39.000 -0.496 0.000 1.337 145 F HN 0.547 nan 8.300 nan 0.000 0.474 146 C N 2.013 121.373 119.300 0.101 0.000 2.358 146 C HA 0.773 5.234 4.460 0.001 0.000 0.342 146 C C 0.066 175.234 174.990 0.297 0.000 1.234 146 C CA -0.555 58.566 59.018 0.171 0.000 1.969 146 C CB 0.679 28.480 27.740 0.100 0.000 2.346 146 C HN 0.707 nan 8.230 nan 0.000 0.525 147 V N 6.327 126.462 119.914 0.368 0.000 2.924 147 V HA 0.329 4.450 4.120 0.001 0.000 0.305 147 V C -0.335 175.844 176.094 0.142 0.000 1.073 147 V CA 0.449 62.918 62.300 0.282 0.000 1.098 147 V CB 1.392 33.316 31.823 0.168 0.000 1.000 147 V HN 0.923 nan 8.190 nan 0.000 0.484 148 Q N 6.285 126.137 119.800 0.086 0.000 2.353 148 Q HA 0.419 4.759 4.340 0.001 0.000 0.268 148 Q C -1.985 174.030 176.000 0.024 0.000 1.045 148 Q CA -1.879 53.951 55.803 0.045 0.000 0.811 148 Q CB 1.699 30.452 28.738 0.026 0.000 1.305 148 Q HN 0.541 nan 8.270 nan 0.000 0.447 149 P HA -0.160 nan 4.420 nan 0.000 0.215 149 P C 0.964 178.264 177.300 0.001 0.000 1.157 149 P CA 1.225 64.331 63.100 0.009 0.000 0.856 149 P CB 0.351 32.059 31.700 0.013 0.000 0.786 150 E N 1.140 121.341 120.200 0.000 0.000 2.049 150 E HA -0.180 4.170 4.350 0.001 0.000 0.198 150 E C 1.002 177.596 176.600 -0.009 0.000 1.007 150 E CA 1.050 57.448 56.400 -0.005 0.000 0.809 150 E CB -0.721 28.975 29.700 -0.006 0.000 0.749 150 E HN 0.185 nan 8.360 nan 0.000 0.450 151 K N 0.485 120.879 120.400 -0.010 0.000 2.233 151 K HA 0.214 4.535 4.320 0.001 0.000 0.239 151 K C 0.478 177.068 176.600 -0.018 0.000 1.064 151 K CA 0.511 56.788 56.287 -0.016 0.000 0.884 151 K CB 0.476 32.965 32.500 -0.019 0.000 1.166 151 K HN 0.193 nan 8.250 nan 0.000 0.512 152 G N 0.351 109.137 108.800 -0.024 0.000 2.821 152 G HA2 0.234 4.194 3.960 0.001 0.000 0.289 152 G HA3 0.234 4.194 3.960 0.001 0.000 0.289 152 G C 0.233 175.111 174.900 -0.036 0.000 0.771 152 G CA -0.225 44.858 45.100 -0.028 0.000 1.908 152 G HN 0.648 nan 8.290 nan 0.000 0.539 153 G N 0.992 109.774 108.800 -0.031 0.000 2.257 153 G HA2 0.280 4.240 3.960 0.001 0.000 0.235 153 G HA3 0.280 4.240 3.960 0.001 0.000 0.235 153 G C 0.556 175.413 174.900 -0.073 0.000 1.225 153 G CA -0.022 45.059 45.100 -0.032 0.000 0.878 153 G HN 0.957 nan 8.290 nan 0.000 0.505 154 R N 0.323 120.781 120.500 -0.070 0.000 1.924 154 R HA -0.111 4.230 4.340 0.001 0.000 0.385 154 R C 0.372 176.601 176.300 -0.119 0.000 1.107 154 R CA 0.425 56.402 56.100 -0.204 0.000 0.712 154 R CB -0.679 29.366 30.300 -0.425 0.000 2.408 154 R HN 0.943 nan 8.270 nan 0.000 0.483 155 K N 4.152 124.545 120.400 -0.012 0.000 2.237 155 K HA 0.454 4.774 4.320 0.001 0.000 0.270 155 K C -2.157 174.443 176.600 -0.000 0.000 1.015 155 K CA -1.345 54.905 56.287 -0.062 0.000 0.949 155 K CB 1.069 33.447 32.500 -0.203 0.000 0.976 155 K HN 0.097 nan 8.250 nan 0.000 0.472 156 P HA 0.065 nan 4.420 nan 0.000 0.274 156 P C -0.726 176.597 177.300 0.038 0.000 1.246 156 P CA -0.481 62.626 63.100 0.011 0.000 0.795 156 P CB 0.567 32.258 31.700 -0.016 0.000 1.006 157 A N 2.531 125.388 122.820 0.061 0.000 2.511 157 A HA 0.101 4.421 4.320 0.001 0.000 0.242 157 A C 0.641 178.265 177.584 0.067 0.000 1.069 157 A CA -0.092 51.997 52.037 0.087 0.000 0.763 157 A CB -0.439 18.605 19.000 0.074 0.000 1.001 157 A HN 0.455 nan 8.150 nan 0.000 0.498 158 R N 0.887 121.444 120.500 0.095 0.000 2.694 158 R HA 0.319 4.659 4.340 0.001 0.000 0.268 158 R C -0.441 175.913 176.300 0.089 0.000 1.061 158 R CA -0.033 56.124 56.100 0.094 0.000 1.133 158 R CB 0.302 30.674 30.300 0.120 0.000 1.020 158 R HN 0.680 nan 8.270 nan 0.000 0.475 159 L N 4.499 125.778 121.223 0.094 0.000 2.343 159 L HA 0.499 4.839 4.340 0.001 0.000 0.275 159 L C 0.117 177.076 176.870 0.149 0.000 1.056 159 L CA -0.731 54.173 54.840 0.106 0.000 0.804 159 L CB 1.085 43.197 42.059 0.088 0.000 1.203 159 L HN 0.571 nan 8.230 nan 0.000 0.440 160 I N 0.045 120.723 120.570 0.179 0.000 2.608 160 I HA 0.695 4.865 4.170 0.001 0.000 0.295 160 I C -0.861 175.430 176.117 0.290 0.000 1.049 160 I CA -0.900 60.543 61.300 0.238 0.000 1.063 160 I CB 2.184 40.328 38.000 0.239 0.000 1.248 160 I HN 0.147 nan 8.210 nan 0.000 0.424 161 V N 6.268 126.358 119.914 0.294 0.000 2.482 161 V HA 0.577 4.697 4.120 0.001 0.000 0.295 161 V C -0.821 175.421 176.094 0.247 0.000 1.026 161 V CA -0.347 62.063 62.300 0.183 0.000 0.856 161 V CB 1.265 33.178 31.823 0.151 0.000 1.001 161 V HN 0.714 nan 8.190 nan 0.000 0.424 162 F N 5.105 125.098 119.950 0.071 0.000 2.588 162 F HA 0.971 5.498 4.527 0.000 0.000 0.310 162 F C -2.939 172.895 175.800 0.057 0.000 1.082 162 F CA -2.655 55.385 58.000 0.067 0.000 0.929 162 F CB 1.836 40.871 39.000 0.058 0.000 1.254 162 F HN 0.284 nan 8.300 nan 0.000 0.455 163 P HA 0.174 nan 4.420 nan 0.000 0.282 163 P C -1.114 176.298 177.300 0.186 0.000 1.287 163 P CA -0.178 62.975 63.100 0.089 0.000 0.792 163 P CB 0.954 32.714 31.700 0.101 0.000 1.163 164 D N -0.904 119.583 120.400 0.145 0.000 2.399 164 D HA -0.014 4.627 4.640 0.001 0.000 0.241 164 D C 1.520 177.907 176.300 0.144 0.000 1.133 164 D CA -0.147 53.956 54.000 0.171 0.000 0.890 164 D CB 0.243 41.183 40.800 0.232 0.000 1.201 164 D HN 0.185 nan 8.370 nan 0.000 0.432 165 L N 2.930 124.214 121.223 0.102 0.000 2.103 165 L HA -0.220 4.121 4.340 0.001 0.000 0.215 165 L C 1.897 178.805 176.870 0.065 0.000 1.080 165 L CA 2.113 56.988 54.840 0.058 0.000 0.764 165 L CB -0.727 41.319 42.059 -0.022 0.000 0.890 165 L HN 0.720 nan 8.230 nan 0.000 0.435 166 G N -1.179 107.635 108.800 0.023 0.000 2.421 166 G HA2 -0.224 3.736 3.960 0.001 0.000 0.216 166 G HA3 -0.224 3.736 3.960 0.001 0.000 0.216 166 G C 1.523 176.426 174.900 0.004 0.000 1.171 166 G CA 0.888 45.956 45.100 -0.053 0.000 0.775 166 G HN 0.317 nan 8.290 nan 0.000 0.543 167 V N 0.511 120.451 119.914 0.043 0.000 2.490 167 V HA -0.138 3.983 4.120 0.001 0.000 0.250 167 V C 2.891 179.043 176.094 0.097 0.000 1.061 167 V CA 1.777 64.122 62.300 0.074 0.000 1.064 167 V CB -0.449 31.418 31.823 0.073 0.000 0.670 167 V HN 0.301 nan 8.190 nan 0.000 0.461 168 R N -0.413 120.146 120.500 0.099 0.000 2.081 168 R HA -0.110 4.231 4.340 0.001 0.000 0.235 168 R C 2.250 178.598 176.300 0.080 0.000 1.131 168 R CA 1.399 57.562 56.100 0.105 0.000 0.960 168 R CB -0.429 29.930 30.300 0.098 0.000 0.856 168 R HN 0.424 nan 8.270 nan 0.000 0.436 169 V N 0.132 120.078 119.914 0.054 0.000 2.358 169 V HA -0.293 3.828 4.120 0.001 0.000 0.246 169 V C 2.403 178.502 176.094 0.010 0.000 1.047 169 V CA 1.495 63.801 62.300 0.011 0.000 1.035 169 V CB -0.418 31.397 31.823 -0.014 0.000 0.658 169 V HN 0.462 nan 8.190 nan 0.000 0.452 170 C N -0.097 119.249 119.300 0.077 0.000 2.422 170 C HA -0.131 4.329 4.460 0.001 0.000 0.279 170 C C 2.635 177.775 174.990 0.249 0.000 1.305 170 C CA 0.765 59.906 59.018 0.205 0.000 1.757 170 C CB -1.019 26.934 27.740 0.355 0.000 1.962 170 C HN 0.623 nan 8.230 nan 0.000 0.499 171 E N 0.902 121.210 120.200 0.180 0.000 2.058 171 E HA -0.237 4.114 4.350 0.001 0.000 0.194 171 E C 2.175 178.866 176.600 0.151 0.000 0.997 171 E CA 1.235 57.748 56.400 0.188 0.000 0.801 171 E CB -0.181 29.634 29.700 0.192 0.000 0.746 171 E HN 0.632 nan 8.360 nan 0.000 0.450 172 K N 0.256 120.720 120.400 0.105 0.000 2.057 172 K HA -0.126 4.195 4.320 0.001 0.000 0.207 172 K C 2.219 178.847 176.600 0.047 0.000 1.049 172 K CA 1.328 57.675 56.287 0.101 0.000 0.931 172 K CB -0.136 32.382 32.500 0.029 0.000 0.714 172 K HN 0.124 nan 8.250 nan 0.000 0.440 173 M N 0.270 119.839 119.600 -0.052 0.000 2.080 173 M HA -0.211 4.269 4.480 0.001 0.000 0.260 173 M C 2.426 178.715 176.300 -0.018 0.000 1.068 173 M CA 1.915 57.099 55.300 -0.193 0.000 1.109 173 M CB -0.368 31.866 32.600 -0.610 0.000 1.342 173 M HN 0.217 nan 8.290 nan 0.000 0.405 174 A N -0.495 122.442 122.820 0.196 0.000 1.897 174 A HA -0.003 4.317 4.320 0.001 0.000 0.215 174 A C 1.847 179.501 177.584 0.116 0.000 1.181 174 A CA 1.346 53.551 52.037 0.281 0.000 0.620 174 A CB -0.282 18.917 19.000 0.332 0.000 0.821 174 A HN 0.510 nan 8.150 nan 0.000 0.443 175 L N -3.171 118.096 121.223 0.074 0.000 3.217 175 L HA 0.205 4.545 4.340 0.001 0.000 0.288 175 L C 1.701 178.549 176.870 -0.037 0.000 1.202 175 L CA -0.030 54.789 54.840 -0.036 0.000 1.027 175 L CB 0.143 42.144 42.059 -0.096 0.000 1.427 175 L HN 0.463 nan 8.230 nan 0.000 0.600 176 Y N 1.383 121.643 120.300 -0.065 0.000 2.128 176 Y HA -0.315 4.235 4.550 0.000 0.000 0.284 176 Y C 2.171 178.026 175.900 -0.076 0.000 1.154 176 Y CA 2.308 60.366 58.100 -0.070 0.000 1.149 176 Y CB 0.210 38.632 38.460 -0.064 0.000 0.976 176 Y HN 0.225 nan 8.280 nan 0.000 0.505 177 D N -0.940 119.500 120.400 0.066 0.000 2.277 177 D HA -0.111 4.530 4.640 0.001 0.000 0.208 177 D C 2.020 178.263 176.300 -0.094 0.000 0.962 177 D CA 0.980 54.984 54.000 0.007 0.000 0.865 177 D CB -0.001 40.841 40.800 0.070 0.000 0.939 177 D HN 0.275 nan 8.370 nan 0.000 0.510 178 V N -0.286 119.558 119.914 -0.117 0.000 2.255 178 V HA -0.159 3.961 4.120 0.001 0.000 0.243 178 V C 2.597 178.572 176.094 -0.198 0.000 1.038 178 V CA 1.046 63.257 62.300 -0.148 0.000 1.008 178 V CB -0.547 31.155 31.823 -0.202 0.000 0.645 178 V HN 0.076 nan 8.190 nan 0.000 0.449 179 V N 0.189 119.949 119.914 -0.257 0.000 2.546 179 V HA -0.233 3.887 4.120 0.001 0.000 0.254 179 V C 2.302 178.232 176.094 -0.274 0.000 1.076 179 V CA 2.364 64.509 62.300 -0.260 0.000 1.087 179 V CB -0.318 31.342 31.823 -0.272 0.000 0.674 179 V HN 0.566 nan 8.190 nan 0.000 0.470 180 S N -1.851 113.648 115.700 -0.336 0.000 2.575 180 S HA 0.025 4.496 4.470 0.001 0.000 0.215 180 S C 1.600 176.092 174.600 -0.180 0.000 0.966 180 S CA 0.853 58.867 58.200 -0.310 0.000 0.911 180 S CB 0.369 63.265 63.200 -0.507 0.000 0.780 180 S HN 0.691 nan 8.310 nan 0.000 0.514 181 T N 0.705 115.156 114.554 -0.171 0.000 3.250 181 T HA 0.277 4.627 4.350 0.001 0.000 0.265 181 T C 1.511 176.111 174.700 -0.166 0.000 0.973 181 T CA -0.361 61.658 62.100 -0.135 0.000 1.040 181 T CB -0.270 68.540 68.868 -0.097 0.000 1.167 181 T HN 0.091 nan 8.240 nan 0.000 0.471 182 L N 1.969 123.094 121.223 -0.162 0.000 1.990 182 L HA -0.088 4.252 4.340 0.001 0.000 0.213 182 L C -0.945 175.766 176.870 -0.265 0.000 1.072 182 L CA 2.221 56.968 54.840 -0.154 0.000 0.755 182 L CB -1.049 40.966 42.059 -0.073 0.000 0.889 182 L HN 0.169 nan 8.230 nan 0.000 0.432 183 P HA -0.231 nan 4.420 nan 0.000 0.216 183 P C 1.370 178.192 177.300 -0.797 0.000 1.153 183 P CA 1.499 64.165 63.100 -0.724 0.000 0.858 183 P CB -0.005 30.943 31.700 -1.253 0.000 0.789 184 Q N -0.641 118.770 119.800 -0.648 0.000 2.123 184 Q HA -0.092 4.248 4.340 0.001 0.000 0.199 184 Q C 1.908 177.778 176.000 -0.216 0.000 0.966 184 Q CA 1.154 56.765 55.803 -0.319 0.000 0.845 184 Q CB -0.372 28.290 28.738 -0.128 0.000 0.907 184 Q HN 0.010 nan 8.270 nan 0.000 0.439 185 V N -0.462 119.332 119.914 -0.200 0.000 2.453 185 V HA -0.185 3.935 4.120 0.001 0.000 0.247 185 V C 2.074 178.079 176.094 -0.148 0.000 1.048 185 V CA 1.232 63.450 62.300 -0.137 0.000 1.049 185 V CB -0.076 31.684 31.823 -0.105 0.000 0.672 185 V HN 0.233 nan 8.190 nan 0.000 0.457 186 V N -0.849 118.941 119.914 -0.206 0.000 2.453 186 V HA -0.145 3.976 4.120 0.001 0.000 0.247 186 V C 2.003 177.912 176.094 -0.307 0.000 1.048 186 V CA 1.953 64.122 62.300 -0.217 0.000 1.049 186 V CB -0.363 31.318 31.823 -0.237 0.000 0.672 186 V HN 0.464 nan 8.190 nan 0.000 0.457 187 M N -1.306 118.057 119.600 -0.395 0.000 2.337 187 M HA 0.342 4.823 4.480 0.001 0.000 0.256 187 M C 1.529 177.711 176.300 -0.197 0.000 1.075 187 M CA 0.692 55.682 55.300 -0.516 0.000 1.024 187 M CB 0.538 32.760 32.600 -0.631 0.000 1.429 187 M HN 0.455 nan 8.290 nan 0.000 0.497 188 G N 1.793 110.508 108.800 -0.142 0.000 2.661 188 G HA2 -0.422 3.538 3.960 0.001 0.000 0.327 188 G HA3 -0.422 3.538 3.960 0.001 0.000 0.327 188 G C 0.898 175.748 174.900 -0.083 0.000 1.320 188 G CA 1.176 46.230 45.100 -0.076 0.000 0.997 188 G HN 0.540 nan 8.290 nan 0.000 0.543 189 S N -0.758 114.897 115.700 -0.075 0.000 2.469 189 S HA 0.037 4.508 4.470 0.001 0.000 0.238 189 S C 2.214 176.625 174.600 -0.314 0.000 0.998 189 S CA 1.937 60.002 58.200 -0.224 0.000 0.957 189 S CB -0.152 62.933 63.200 -0.190 0.000 0.764 189 S HN 0.937 nan 8.310 nan 0.000 0.514 190 S N 0.279 115.952 115.700 -0.045 0.000 2.481 190 S HA 0.090 4.561 4.470 0.001 0.000 0.231 190 S C 0.286 174.915 174.600 0.048 0.000 0.996 190 S CA -0.053 58.199 58.200 0.086 0.000 0.942 190 S CB -0.468 62.908 63.200 0.293 0.000 0.768 190 S HN 0.682 nan 8.310 nan 0.000 0.520 191 Y N 3.412 123.589 120.300 -0.205 0.000 2.674 191 Y HA 0.395 4.945 4.550 0.001 0.000 0.354 191 Y C 1.283 176.984 175.900 -0.332 0.000 1.089 191 Y CA -1.522 56.441 58.100 -0.230 0.000 1.444 191 Y CB -0.252 38.065 38.460 -0.239 0.000 1.187 191 Y HN 0.069 nan 8.280 nan 0.000 0.523 192 G N 4.402 112.869 108.800 -0.555 0.000 2.448 192 G HA2 -0.243 3.717 3.960 0.001 0.000 0.218 192 G HA3 -0.243 3.717 3.960 0.001 0.000 0.218 192 G C 1.232 175.655 174.900 -0.796 0.000 1.135 192 G CA 0.171 44.933 45.100 -0.562 0.000 0.784 192 G HN 0.683 nan 8.290 nan 0.000 0.543 193 F N 1.214 120.601 119.950 -0.938 0.000 2.604 193 F HA -0.004 4.523 4.527 0.000 0.000 0.298 193 F C 2.936 178.340 175.800 -0.660 0.000 1.131 193 F CA 1.033 58.593 58.000 -0.733 0.000 1.457 193 F CB 0.114 38.694 39.000 -0.701 0.000 1.095 193 F HN 0.281 nan 8.300 nan 0.000 0.574 194 Q N 0.107 119.484 119.800 -0.705 0.000 2.437 194 Q HA -0.130 4.210 4.340 0.001 0.000 0.210 194 Q C -0.424 175.298 176.000 -0.463 0.000 0.972 194 Q CA 0.895 56.383 55.803 -0.524 0.000 0.903 194 Q CB -0.454 27.952 28.738 -0.554 0.000 0.967 194 Q HN 0.426 nan 8.270 nan 0.000 0.486 195 Y N 1.970 122.119 120.300 -0.251 0.000 2.342 195 Y HA 0.245 4.795 4.550 0.000 0.000 0.334 195 Y C 0.742 176.480 175.900 -0.270 0.000 1.067 195 Y CA -1.063 56.902 58.100 -0.224 0.000 1.128 195 Y CB 1.385 39.728 38.460 -0.195 0.000 1.200 195 Y HN 0.095 nan 8.280 nan 0.000 0.464 196 S N 2.637 118.291 115.700 -0.078 0.000 2.589 196 S HA 0.122 4.593 4.470 0.001 0.000 0.265 196 S C -1.998 172.556 174.600 -0.076 0.000 1.342 196 S CA -1.070 57.023 58.200 -0.179 0.000 1.005 196 S CB 1.127 64.216 63.200 -0.184 0.000 0.909 196 S HN 0.454 nan 8.310 nan 0.000 0.555 197 P HA -0.004 nan 4.420 nan 0.000 0.216 197 P C 1.622 178.932 177.300 0.018 0.000 1.150 197 P CA 1.717 64.823 63.100 0.009 0.000 0.843 197 P CB -0.454 31.283 31.700 0.062 0.000 0.787 198 G N -0.634 108.169 108.800 0.004 0.000 2.421 198 G HA2 -0.216 3.744 3.960 0.001 0.000 0.217 198 G HA3 -0.216 3.744 3.960 0.001 0.000 0.217 198 G C 1.487 176.368 174.900 -0.031 0.000 1.143 198 G CA 0.381 45.496 45.100 0.025 0.000 0.784 198 G HN 0.299 nan 8.290 nan 0.000 0.541 199 Q N -0.348 119.414 119.800 -0.063 0.000 2.079 199 Q HA 0.022 4.362 4.340 0.001 0.000 0.200 199 Q C 2.570 178.351 176.000 -0.365 0.000 0.974 199 Q CA 0.828 56.555 55.803 -0.127 0.000 0.840 199 Q CB -0.165 28.573 28.738 0.000 0.000 0.898 199 Q HN 0.405 nan 8.270 nan 0.000 0.430 200 R N 0.550 120.871 120.500 -0.298 0.000 2.094 200 R HA -0.196 4.144 4.340 0.001 0.000 0.239 200 R C 2.131 178.324 176.300 -0.179 0.000 1.137 200 R CA 1.753 57.672 56.100 -0.302 0.000 0.943 200 R CB -0.352 29.905 30.300 -0.071 0.000 0.850 200 R HN 0.124 nan 8.270 nan 0.000 0.433 201 V N 1.203 121.055 119.914 -0.103 0.000 2.332 201 V HA -0.253 3.867 4.120 0.001 0.000 0.248 201 V C 2.398 178.428 176.094 -0.106 0.000 1.055 201 V CA 2.256 64.507 62.300 -0.081 0.000 1.038 201 V CB -0.637 31.183 31.823 -0.005 0.000 0.651 201 V HN 0.500 nan 8.190 nan 0.000 0.450 202 E N -0.524 119.624 120.200 -0.087 0.000 2.085 202 E HA -0.273 4.077 4.350 0.001 0.000 0.194 202 E C 2.124 178.678 176.600 -0.078 0.000 0.994 202 E CA 1.707 58.064 56.400 -0.072 0.000 0.801 202 E CB -0.181 29.492 29.700 -0.044 0.000 0.743 202 E HN 0.554 nan 8.360 nan 0.000 0.453 203 F N 1.173 120.945 119.950 -0.297 0.000 2.102 203 F HA -0.144 4.383 4.527 0.000 0.000 0.298 203 F C 1.955 177.651 175.800 -0.173 0.000 1.105 203 F CA 1.271 59.106 58.000 -0.275 0.000 1.239 203 F CB -0.317 38.392 39.000 -0.484 0.000 0.991 203 F HN -0.006 nan 8.300 nan 0.000 0.474 204 L N -0.912 120.156 121.223 -0.257 0.000 2.027 204 L HA -0.206 4.134 4.340 0.001 0.000 0.206 204 L C 2.389 179.112 176.870 -0.245 0.000 1.074 204 L CA 1.061 55.726 54.840 -0.292 0.000 0.745 204 L CB -0.821 41.127 42.059 -0.185 0.000 0.898 204 L HN -0.024 nan 8.230 nan 0.000 0.433 205 V N 0.185 119.949 119.914 -0.251 0.000 2.261 205 V HA -0.309 3.811 4.120 0.001 0.000 0.246 205 V C 2.007 178.003 176.094 -0.163 0.000 1.047 205 V CA 2.320 64.450 62.300 -0.283 0.000 1.015 205 V CB -0.824 30.716 31.823 -0.471 0.000 0.642 205 V HN 0.506 nan 8.190 nan 0.000 0.446 206 N N -0.388 118.216 118.700 -0.160 0.000 2.149 206 N HA -0.174 4.566 4.740 0.001 0.000 0.188 206 N C 1.807 177.233 175.510 -0.140 0.000 1.019 206 N CA 1.742 54.723 53.050 -0.114 0.000 0.857 206 N CB -0.231 38.210 38.487 -0.076 0.000 0.997 206 N HN 0.458 nan 8.380 nan 0.000 0.426 207 T N 0.318 114.720 114.554 -0.254 0.000 2.674 207 T HA -0.193 4.158 4.350 0.001 0.000 0.265 207 T C 1.338 175.961 174.700 -0.128 0.000 1.039 207 T CA 0.791 62.724 62.100 -0.278 0.000 1.150 207 T CB -0.380 68.178 68.868 -0.517 0.000 0.864 207 T HN 0.435 nan 8.240 nan 0.000 0.427 208 W N 2.290 123.434 121.300 -0.260 0.000 2.318 208 W HA -0.136 4.525 4.660 0.001 0.000 0.313 208 W C 1.817 178.249 176.519 -0.145 0.000 1.221 208 W CA 1.363 58.593 57.345 -0.192 0.000 1.266 208 W CB -0.194 29.143 29.460 -0.205 0.000 1.150 208 W HN 0.261 nan 8.180 nan 0.000 0.496 209 K N 0.107 120.520 120.400 0.022 0.000 2.365 209 K HA -0.101 4.219 4.320 0.001 0.000 0.199 209 K C 2.107 178.652 176.600 -0.091 0.000 1.045 209 K CA 1.384 57.654 56.287 -0.028 0.000 0.962 209 K CB -0.176 32.328 32.500 0.006 0.000 0.759 209 K HN 0.071 nan 8.250 nan 0.000 0.469 210 S N 0.460 116.094 115.700 -0.111 0.000 2.527 210 S HA 0.031 4.502 4.470 0.001 0.000 0.222 210 S C 0.511 175.033 174.600 -0.130 0.000 0.985 210 S CA 0.059 58.198 58.200 -0.102 0.000 0.921 210 S CB 0.092 63.240 63.200 -0.087 0.000 0.772 210 S HN -0.047 nan 8.310 nan 0.000 0.529 211 K N 1.909 122.188 120.400 -0.202 0.000 2.174 211 K HA 0.302 4.623 4.320 0.001 0.000 0.275 211 K C 0.738 177.219 176.600 -0.198 0.000 1.015 211 K CA -0.359 55.800 56.287 -0.215 0.000 0.933 211 K CB 1.412 33.731 32.500 -0.302 0.000 1.025 211 K HN 0.190 nan 8.250 nan 0.000 0.463 212 K N 1.946 122.261 120.400 -0.142 0.000 2.026 212 K HA -0.100 4.220 4.320 0.001 0.000 0.208 212 K C -0.052 176.469 176.600 -0.132 0.000 1.048 212 K CA 1.392 57.612 56.287 -0.112 0.000 0.929 212 K CB 0.255 32.708 32.500 -0.078 0.000 0.713 212 K HN 0.499 nan 8.250 nan 0.000 0.439 213 N N 1.742 120.352 118.700 -0.150 0.000 2.664 213 N HA 0.221 4.961 4.740 0.001 0.000 0.257 213 N C -2.851 172.525 175.510 -0.223 0.000 1.108 213 N CA -1.267 51.691 53.050 -0.153 0.000 0.822 213 N CB 1.879 40.312 38.487 -0.090 0.000 1.199 213 N HN 0.149 nan 8.380 nan 0.000 0.529 214 P HA 0.125 nan 4.420 nan 0.000 0.271 214 P C -0.354 176.658 177.300 -0.481 0.000 1.216 214 P CA -0.226 62.429 63.100 -0.741 0.000 0.776 214 P CB 1.189 31.792 31.700 -1.828 0.000 0.881 215 M N 2.454 121.880 119.600 -0.291 0.000 2.464 215 M HA 0.676 5.156 4.480 0.001 0.000 0.308 215 M C -0.911 175.375 176.300 -0.023 0.000 1.127 215 M CA -0.359 54.873 55.300 -0.114 0.000 0.913 215 M CB 2.387 34.980 32.600 -0.010 0.000 1.689 215 M HN 0.567 nan 8.290 nan 0.000 0.445 216 G N 3.397 112.269 108.800 0.120 0.000 2.672 216 G HA2 0.834 4.794 3.960 0.001 0.000 0.292 216 G HA3 0.834 4.794 3.960 0.001 0.000 0.292 216 G C -2.041 172.925 174.900 0.109 0.000 1.375 216 G CA -0.659 44.504 45.100 0.105 0.000 0.890 216 G HN 0.804 nan 8.290 nan 0.000 0.476 217 F N -0.436 119.472 119.950 -0.071 0.000 2.641 217 F HA 0.770 5.298 4.527 0.000 0.000 0.308 217 F C -0.177 175.594 175.800 -0.048 0.000 1.105 217 F CA -1.358 56.594 58.000 -0.081 0.000 0.964 217 F CB 1.440 40.371 39.000 -0.115 0.000 1.294 217 F HN 0.634 nan 8.300 nan 0.000 0.442 218 S N 1.706 117.485 115.700 0.133 0.000 2.585 218 S HA 0.687 5.157 4.470 0.001 0.000 0.277 218 S C -1.446 173.347 174.600 0.322 0.000 1.241 218 S CA -0.524 57.745 58.200 0.116 0.000 1.041 218 S CB 1.649 64.885 63.200 0.061 0.000 0.987 218 S HN 0.853 nan 8.310 nan 0.000 0.512 219 Y N 0.579 120.972 120.300 0.154 0.000 2.512 219 Y HA 0.590 5.140 4.550 0.001 0.000 0.348 219 Y C -1.100 174.895 175.900 0.157 0.000 0.990 219 Y CA -0.622 57.611 58.100 0.221 0.000 1.033 219 Y CB 1.994 40.671 38.460 0.361 0.000 1.259 219 Y HN 0.912 nan 8.280 nan 0.000 0.461 220 D N 2.801 123.125 120.400 -0.126 0.000 2.947 220 D HA 0.224 4.864 4.640 0.001 0.000 0.224 220 D C -1.484 174.743 176.300 -0.122 0.000 1.230 220 D CA -0.281 53.712 54.000 -0.012 0.000 0.871 220 D CB 2.495 43.294 40.800 -0.001 0.000 1.671 220 D HN 0.565 nan 8.370 nan 0.000 0.507 221 T N 2.328 116.967 114.554 0.141 0.000 2.856 221 T HA 0.243 4.593 4.350 0.001 0.000 0.292 221 T C 0.489 175.302 174.700 0.188 0.000 0.980 221 T CA -0.438 61.809 62.100 0.246 0.000 1.091 221 T CB 1.078 70.314 68.868 0.613 0.000 0.936 221 T HN 0.233 nan 8.240 nan 0.000 0.503 222 R N 1.883 122.455 120.500 0.120 0.000 2.370 222 R HA 0.151 4.492 4.340 0.001 0.000 0.309 222 R C -0.170 176.244 176.300 0.191 0.000 1.059 222 R CA -0.263 55.896 56.100 0.098 0.000 0.981 222 R CB -0.507 29.798 30.300 0.009 0.000 0.972 222 R HN 0.939 nan 8.270 nan 0.000 0.437 223 C N 5.733 125.167 119.300 0.224 0.000 3.349 223 C HA -0.170 4.290 4.460 0.001 0.000 0.275 223 C C 1.365 176.559 174.990 0.340 0.000 1.322 223 C CA 0.178 59.376 59.018 0.300 0.000 2.261 223 C CB -2.972 25.007 27.740 0.398 0.000 1.446 223 C HN 1.010 nan 8.230 nan 0.000 0.533 224 F N 1.919 121.991 119.950 0.204 0.000 2.065 224 F HA -0.180 4.347 4.527 0.000 0.000 0.298 224 F C 1.971 177.889 175.800 0.197 0.000 1.112 224 F CA 2.395 60.517 58.000 0.204 0.000 1.212 224 F CB -0.047 39.063 39.000 0.184 0.000 0.975 224 F HN 0.448 nan 8.300 nan 0.000 0.476 225 D N -0.271 120.320 120.400 0.317 0.000 2.133 225 D HA -0.190 4.450 4.640 0.001 0.000 0.195 225 D C 2.472 178.801 176.300 0.048 0.000 0.997 225 D CA 1.831 55.946 54.000 0.193 0.000 0.840 225 D CB -0.597 40.351 40.800 0.247 0.000 0.947 225 D HN 0.436 nan 8.370 nan 0.000 0.452 226 S N -0.713 115.050 115.700 0.106 0.000 2.527 226 S HA -0.065 4.405 4.470 0.001 0.000 0.222 226 S C 1.859 176.417 174.600 -0.070 0.000 0.985 226 S CA 1.143 59.331 58.200 -0.020 0.000 0.921 226 S CB -0.390 62.823 63.200 0.022 0.000 0.772 226 S HN 0.323 nan 8.310 nan 0.000 0.529 227 T N -0.204 114.378 114.554 0.047 0.000 3.023 227 T HA 0.172 4.522 4.350 0.001 0.000 0.266 227 T C 0.646 175.267 174.700 -0.132 0.000 1.093 227 T CA 0.074 62.199 62.100 0.041 0.000 1.129 227 T CB -0.735 68.129 68.868 -0.008 0.000 0.899 227 T HN 0.177 nan 8.240 nan 0.000 0.491 228 V N 4.131 123.896 119.914 -0.248 0.000 2.450 228 V HA 0.266 4.386 4.120 0.001 0.000 0.281 228 V C 1.168 177.197 176.094 -0.109 0.000 1.019 228 V CA -0.058 62.123 62.300 -0.198 0.000 1.062 228 V CB -0.310 31.419 31.823 -0.157 0.000 0.979 228 V HN 0.731 nan 8.190 nan 0.000 0.477 229 T N 1.100 115.612 114.554 -0.070 0.000 2.912 229 T HA 0.353 4.703 4.350 0.001 0.000 0.280 229 T C 1.014 175.692 174.700 -0.037 0.000 0.989 229 T CA -0.645 61.423 62.100 -0.054 0.000 0.995 229 T CB 1.412 70.258 68.868 -0.036 0.000 1.077 229 T HN 0.627 nan 8.240 nan 0.000 0.531 230 E N 0.546 120.725 120.200 -0.035 0.000 2.070 230 E HA -0.278 4.073 4.350 0.001 0.000 0.197 230 E C 2.039 178.637 176.600 -0.004 0.000 1.004 230 E CA 1.779 58.169 56.400 -0.015 0.000 0.805 230 E CB -0.301 29.390 29.700 -0.016 0.000 0.744 230 E HN 0.838 nan 8.360 nan 0.000 0.451 231 N N 0.994 119.688 118.700 -0.011 0.000 2.061 231 N HA -0.212 4.528 4.740 0.001 0.000 0.193 231 N C 1.450 176.969 175.510 0.016 0.000 1.030 231 N CA 1.997 55.044 53.050 -0.004 0.000 0.856 231 N CB -0.007 38.465 38.487 -0.025 0.000 1.023 231 N HN 0.020 nan 8.380 nan 0.000 0.424 232 D N 0.046 120.457 120.400 0.018 0.000 2.123 232 D HA -0.122 4.519 4.640 0.001 0.000 0.196 232 D C 1.929 178.243 176.300 0.023 0.000 0.992 232 D CA 1.083 55.109 54.000 0.043 0.000 0.833 232 D CB -0.254 40.565 40.800 0.032 0.000 0.954 232 D HN 0.477 nan 8.370 nan 0.000 0.455 233 I N 0.385 120.966 120.570 0.018 0.000 2.439 233 I HA -0.135 4.035 4.170 0.001 0.000 0.251 233 I C 2.420 178.551 176.117 0.023 0.000 1.139 233 I CA 0.636 61.954 61.300 0.030 0.000 1.438 233 I CB -0.007 38.030 38.000 0.061 0.000 1.085 233 I HN -0.111 nan 8.210 nan 0.000 0.427 234 R N 0.022 120.532 120.500 0.017 0.000 2.090 234 R HA -0.062 4.278 4.340 0.001 0.000 0.228 234 R C 2.340 178.628 176.300 -0.020 0.000 1.110 234 R CA 0.933 57.039 56.100 0.010 0.000 0.973 234 R CB -0.287 30.020 30.300 0.011 0.000 0.869 234 R HN 0.197 nan 8.270 nan 0.000 0.440 235 V N 1.352 121.255 119.914 -0.018 0.000 2.358 235 V HA -0.231 3.889 4.120 0.001 0.000 0.246 235 V C 1.969 177.984 176.094 -0.133 0.000 1.047 235 V CA 1.747 64.026 62.300 -0.034 0.000 1.035 235 V CB -0.352 31.489 31.823 0.031 0.000 0.658 235 V HN 0.333 nan 8.190 nan 0.000 0.452 236 E N -0.361 119.731 120.200 -0.180 0.000 2.049 236 E HA -0.288 4.062 4.350 0.001 0.000 0.198 236 E C 2.377 178.560 176.600 -0.696 0.000 1.007 236 E CA 1.538 57.677 56.400 -0.435 0.000 0.809 236 E CB -0.222 29.274 29.700 -0.340 0.000 0.749 236 E HN 0.513 nan 8.360 nan 0.000 0.450 237 E N 0.519 120.526 120.200 -0.321 0.000 2.118 237 E HA -0.200 4.150 4.350 0.001 0.000 0.195 237 E C 2.094 178.647 176.600 -0.079 0.000 0.992 237 E CA 1.600 57.939 56.400 -0.101 0.000 0.804 237 E CB -0.005 29.735 29.700 0.066 0.000 0.741 237 E HN 0.257 nan 8.360 nan 0.000 0.458 238 S N -0.140 115.500 115.700 -0.100 0.000 2.406 238 S HA -0.069 4.401 4.470 0.001 0.000 0.228 238 S C 2.199 176.757 174.600 -0.070 0.000 1.020 238 S CA 0.689 58.857 58.200 -0.054 0.000 0.965 238 S CB -0.465 62.711 63.200 -0.040 0.000 0.798 238 S HN 0.233 nan 8.310 nan 0.000 0.488 239 I N 0.688 121.165 120.570 -0.156 0.000 2.163 239 I HA -0.165 4.005 4.170 0.001 0.000 0.240 239 I C 2.424 178.526 176.117 -0.025 0.000 1.081 239 I CA 1.599 62.819 61.300 -0.133 0.000 1.353 239 I CB -0.563 37.312 38.000 -0.207 0.000 1.054 239 I HN 0.273 nan 8.210 nan 0.000 0.407 240 Y N 0.428 120.724 120.300 -0.007 0.000 2.151 240 Y HA -0.300 4.250 4.550 0.000 0.000 0.284 240 Y C 2.696 178.598 175.900 0.004 0.000 1.166 240 Y CA 0.361 58.460 58.100 -0.002 0.000 1.163 240 Y CB -0.330 38.142 38.460 0.019 0.000 0.974 240 Y HN 0.230 nan 8.280 nan 0.000 0.511 241 Q N -0.702 119.189 119.800 0.151 0.000 2.369 241 Q HA -0.124 4.216 4.340 0.001 0.000 0.206 241 Q C 2.275 178.307 176.000 0.054 0.000 0.963 241 Q CA 0.762 56.619 55.803 0.090 0.000 0.894 241 Q CB -0.610 28.165 28.738 0.062 0.000 0.965 241 Q HN 0.565 nan 8.270 nan 0.000 0.475 242 C N 0.239 119.564 119.300 0.041 0.000 2.432 242 C HA -0.057 4.404 4.460 0.001 0.000 0.280 242 C C 1.656 176.660 174.990 0.024 0.000 1.353 242 C CA -0.664 58.367 59.018 0.021 0.000 1.766 242 C CB -0.765 26.978 27.740 0.005 0.000 1.924 242 C HN 0.407 nan 8.230 nan 0.000 0.509 243 C N 1.758 121.082 119.300 0.039 0.000 2.727 243 C HA 0.116 4.576 4.460 0.001 0.000 0.401 243 C C 0.566 175.571 174.990 0.025 0.000 1.294 243 C CA -0.117 58.919 59.018 0.029 0.000 2.134 243 C CB -0.311 27.451 27.740 0.037 0.000 2.724 243 C HN 0.506 nan 8.230 nan 0.000 0.677 244 D N 1.598 122.008 120.400 0.016 0.000 2.352 244 D HA 0.462 5.103 4.640 0.001 0.000 0.245 244 D C -0.584 175.728 176.300 0.020 0.000 1.224 244 D CA 0.331 54.341 54.000 0.016 0.000 0.879 244 D CB -0.061 40.744 40.800 0.009 0.000 1.057 244 D HN 0.374 nan 8.370 nan 0.000 0.491 245 L N 1.986 123.225 121.223 0.027 0.000 2.333 245 L HA 0.691 5.032 4.340 0.001 0.000 0.263 245 L C 0.417 177.309 176.870 0.037 0.000 1.014 245 L CA -1.599 53.262 54.840 0.034 0.000 0.820 245 L CB 1.772 43.858 42.059 0.045 0.000 1.352 245 L HN 0.317 nan 8.230 nan 0.000 0.421 246 A N 1.641 124.488 122.820 0.046 0.000 2.483 246 A HA 0.325 4.645 4.320 0.001 0.000 0.238 246 A C -1.791 175.827 177.584 0.057 0.000 1.070 246 A CA -0.836 51.232 52.037 0.051 0.000 0.770 246 A CB -0.140 18.898 19.000 0.063 0.000 1.008 246 A HN 0.623 nan 8.150 nan 0.000 0.497 247 P HA -0.191 nan 4.420 nan 0.000 0.216 247 P C 1.275 178.601 177.300 0.043 0.000 1.153 247 P CA 1.723 64.846 63.100 0.038 0.000 0.858 247 P CB 0.218 31.936 31.700 0.031 0.000 0.789 248 E N -0.589 119.656 120.200 0.075 0.000 2.110 248 E HA -0.162 4.189 4.350 0.001 0.000 0.193 248 E C 1.960 178.631 176.600 0.118 0.000 0.988 248 E CA 1.090 57.550 56.400 0.100 0.000 0.804 248 E CB -0.514 29.310 29.700 0.207 0.000 0.745 248 E HN 0.076 nan 8.360 nan 0.000 0.458 249 A N 1.113 124.027 122.820 0.157 0.000 1.898 249 A HA -0.170 4.151 4.320 0.001 0.000 0.216 249 A C 2.091 179.722 177.584 0.078 0.000 1.181 249 A CA 1.301 53.436 52.037 0.163 0.000 0.620 249 A CB -0.398 18.684 19.000 0.136 0.000 0.819 249 A HN 0.161 nan 8.150 nan 0.000 0.442 250 R N -0.970 119.562 120.500 0.053 0.000 2.083 250 R HA -0.218 4.123 4.340 0.001 0.000 0.237 250 R C 2.507 178.809 176.300 0.004 0.000 1.137 250 R CA 1.837 57.959 56.100 0.037 0.000 0.951 250 R CB -0.355 29.963 30.300 0.030 0.000 0.851 250 R HN 0.675 nan 8.270 nan 0.000 0.434 251 Q N 0.693 120.474 119.800 -0.032 0.000 2.050 251 Q HA -0.109 4.232 4.340 0.001 0.000 0.202 251 Q C 1.982 177.896 176.000 -0.143 0.000 0.980 251 Q CA 2.067 57.818 55.803 -0.086 0.000 0.840 251 Q CB -0.252 28.418 28.738 -0.113 0.000 0.898 251 Q HN 0.353 nan 8.270 nan 0.000 0.424 252 A N -0.067 122.629 122.820 -0.208 0.000 1.972 252 A HA -0.116 4.204 4.320 0.001 0.000 0.219 252 A C 2.083 179.604 177.584 -0.106 0.000 1.169 252 A CA 1.400 53.265 52.037 -0.286 0.000 0.635 252 A CB -0.642 18.073 19.000 -0.474 0.000 0.810 252 A HN 0.501 nan 8.150 nan 0.000 0.446 253 I N -0.656 119.908 120.570 -0.010 0.000 2.353 253 I HA -0.200 3.970 4.170 0.001 0.000 0.248 253 I C 2.499 178.653 176.117 0.063 0.000 1.119 253 I CA 1.595 62.937 61.300 0.070 0.000 1.417 253 I CB -0.146 37.923 38.000 0.115 0.000 1.078 253 I HN 0.391 nan 8.210 nan 0.000 0.421 254 K N 0.547 120.958 120.400 0.019 0.000 2.025 254 K HA -0.188 4.132 4.320 0.001 0.000 0.207 254 K C 2.335 178.911 176.600 -0.041 0.000 1.049 254 K CA 1.801 58.092 56.287 0.007 0.000 0.933 254 K CB -0.125 32.371 32.500 -0.007 0.000 0.714 254 K HN 0.086 nan 8.250 nan 0.000 0.438 255 S N 0.827 116.474 115.700 -0.088 0.000 2.356 255 S HA -0.085 4.386 4.470 0.001 0.000 0.223 255 S C 1.995 176.497 174.600 -0.164 0.000 1.032 255 S CA 1.143 59.269 58.200 -0.124 0.000 1.005 255 S CB -0.258 62.842 63.200 -0.166 0.000 0.867 255 S HN 0.361 nan 8.310 nan 0.000 0.449 256 L N 0.918 122.013 121.223 -0.213 0.000 2.083 256 L HA -0.085 4.255 4.340 0.001 0.000 0.209 256 L C 2.974 179.525 176.870 -0.533 0.000 1.083 256 L CA 1.746 56.329 54.840 -0.429 0.000 0.752 256 L CB -0.879 40.871 42.059 -0.514 0.000 0.899 256 L HN 0.501 nan 8.230 nan 0.000 0.433 257 T N -2.537 111.901 114.554 -0.193 0.000 2.951 257 T HA -0.130 4.220 4.350 0.001 0.000 0.268 257 T C 1.716 176.406 174.700 -0.017 0.000 1.073 257 T CA 0.947 63.053 62.100 0.010 0.000 1.134 257 T CB -0.023 68.991 68.868 0.243 0.000 0.884 257 T HN 0.230 nan 8.240 nan 0.000 0.479 258 E N 1.058 121.227 120.200 -0.051 0.000 2.122 258 E HA 0.084 4.434 4.350 0.001 0.000 0.190 258 E C 2.459 179.031 176.600 -0.048 0.000 0.977 258 E CA 0.637 57.017 56.400 -0.033 0.000 0.820 258 E CB -0.058 29.622 29.700 -0.033 0.000 0.770 258 E HN 0.617 nan 8.360 nan 0.000 0.462 259 R N -0.322 120.122 120.500 -0.094 0.000 2.254 259 R HA 0.225 4.565 4.340 0.001 0.000 0.195 259 R C 2.034 178.268 176.300 -0.111 0.000 0.957 259 R CA 0.339 56.385 56.100 -0.091 0.000 1.024 259 R CB 0.651 30.890 30.300 -0.102 0.000 0.952 259 R HN 0.081 nan 8.270 nan 0.000 0.484 260 L N -2.137 118.987 121.223 -0.164 0.000 2.603 260 L HA 0.148 4.489 4.340 0.001 0.000 0.189 260 L C 1.171 178.030 176.870 -0.020 0.000 1.082 260 L CA 0.194 54.942 54.840 -0.154 0.000 0.921 260 L CB 0.091 41.969 42.059 -0.302 0.000 1.694 260 L HN 0.003 nan 8.230 nan 0.000 0.491 261 Y N 0.497 120.801 120.300 0.008 0.000 2.263 261 Y HA -0.079 4.471 4.550 0.000 0.000 0.292 261 Y C 2.432 178.329 175.900 -0.004 0.000 1.130 261 Y CA 0.822 58.935 58.100 0.021 0.000 1.179 261 Y CB -0.495 38.002 38.460 0.061 0.000 0.998 261 Y HN 0.121 nan 8.280 nan 0.000 0.532 262 I N -0.932 119.718 120.570 0.132 0.000 2.361 262 I HA -0.067 4.103 4.170 0.001 0.000 0.251 262 I C 1.211 177.332 176.117 0.007 0.000 1.133 262 I CA 1.420 62.757 61.300 0.061 0.000 1.413 262 I CB -0.198 37.829 38.000 0.045 0.000 1.073 262 I HN 0.320 nan 8.210 nan 0.000 0.424 263 G N -1.296 107.488 108.800 -0.027 0.000 2.356 263 G HA2 0.452 4.412 3.960 0.001 0.000 0.288 263 G HA3 0.452 4.412 3.960 0.001 0.000 0.288 263 G C -0.810 173.943 174.900 -0.244 0.000 1.302 263 G CA -0.293 44.731 45.100 -0.126 0.000 0.887 263 G HN 0.494 nan 8.290 nan 0.000 0.521 264 G N -1.089 107.297 108.800 -0.690 0.000 2.356 264 G HA2 0.653 4.613 3.960 0.001 0.000 0.300 264 G HA3 0.653 4.613 3.960 0.001 0.000 0.300 264 G C -3.458 170.674 174.900 -1.279 0.000 1.331 264 G CA 0.236 44.804 45.100 -0.886 0.000 0.905 264 G HN 0.909 nan 8.290 nan 0.000 0.587 265 P HA 0.528 nan 4.420 nan 0.000 0.274 265 P C -0.620 176.540 177.300 -0.232 0.000 1.231 265 P CA -0.196 62.687 63.100 -0.361 0.000 0.790 265 P CB 1.298 32.949 31.700 -0.082 0.000 0.951 266 L N 1.572 122.714 121.223 -0.135 0.000 2.362 266 L HA 0.545 4.885 4.340 0.001 0.000 0.275 266 L C 0.662 177.520 176.870 -0.020 0.000 0.998 266 L CA -0.418 54.379 54.840 -0.071 0.000 0.820 266 L CB 2.161 44.209 42.059 -0.019 0.000 1.270 266 L HN 0.404 nan 8.230 nan 0.000 0.415 267 T N -0.219 114.311 114.554 -0.039 0.000 2.848 267 T HA 0.418 4.769 4.350 0.001 0.000 0.285 267 T C -0.068 174.621 174.700 -0.018 0.000 0.995 267 T CA -0.833 61.257 62.100 -0.017 0.000 0.970 267 T CB 1.103 69.954 68.868 -0.028 0.000 0.976 267 T HN 0.510 nan 8.240 nan 0.000 0.441 268 N N 2.034 120.743 118.700 0.015 0.000 2.147 268 N HA -0.062 4.678 4.740 0.001 0.000 0.243 268 N C 1.586 177.097 175.510 0.001 0.000 1.234 268 N CA 1.032 54.092 53.050 0.017 0.000 0.847 268 N CB 0.419 38.920 38.487 0.023 0.000 1.083 268 N HN 0.836 nan 8.380 nan 0.000 0.457 269 S N 0.301 116.011 115.700 0.017 0.000 2.442 269 S HA -0.098 4.372 4.470 0.001 0.000 0.236 269 S C 1.022 175.629 174.600 0.011 0.000 1.007 269 S CA 0.809 59.021 58.200 0.021 0.000 0.965 269 S CB -0.035 63.190 63.200 0.041 0.000 0.773 269 S HN 0.480 nan 8.310 nan 0.000 0.504 270 K N 0.692 121.099 120.400 0.010 0.000 2.361 270 K HA 0.248 4.569 4.320 0.001 0.000 0.196 270 K C 1.391 177.991 176.600 -0.000 0.000 1.039 270 K CA 0.715 57.006 56.287 0.007 0.000 1.001 270 K CB 0.017 32.525 32.500 0.012 0.000 0.795 270 K HN 0.584 nan 8.250 nan 0.000 0.495 271 G N 1.918 110.717 108.800 -0.003 0.000 2.175 271 G HA2 -0.198 3.762 3.960 0.001 0.000 0.182 271 G HA3 -0.198 3.762 3.960 0.001 0.000 0.182 271 G C -0.325 174.576 174.900 0.003 0.000 1.003 271 G CA -0.464 44.631 45.100 -0.008 0.000 0.666 271 G HN 0.312 nan 8.290 nan 0.000 0.506 272 Q N 0.294 120.101 119.800 0.013 0.000 2.230 272 Q HA 0.419 4.759 4.340 0.001 0.000 0.248 272 Q C -0.114 175.907 176.000 0.034 0.000 0.915 272 Q CA -0.839 54.978 55.803 0.024 0.000 0.900 272 Q CB 1.000 29.756 28.738 0.030 0.000 1.229 272 Q HN 0.135 nan 8.270 nan 0.000 0.439 273 N N 1.167 119.892 118.700 0.042 0.000 2.400 273 N HA -0.001 4.740 4.740 0.001 0.000 0.267 273 N C -0.215 175.348 175.510 0.087 0.000 1.208 273 N CA 0.007 53.090 53.050 0.054 0.000 0.951 273 N CB 0.480 38.999 38.487 0.053 0.000 1.227 273 N HN 0.638 nan 8.380 nan 0.000 0.488 274 C N 2.426 121.793 119.300 0.111 0.000 2.481 274 C HA 0.291 4.751 4.460 0.001 0.000 0.275 274 C C 1.398 176.544 174.990 0.259 0.000 1.419 274 C CA 0.769 59.911 59.018 0.207 0.000 1.773 274 C CB -1.319 26.577 27.740 0.259 0.000 1.862 274 C HN 0.904 nan 8.230 nan 0.000 0.530 275 G N -1.637 107.233 108.800 0.117 0.000 2.278 275 G HA2 0.155 4.115 3.960 0.001 0.000 0.265 275 G HA3 0.155 4.115 3.960 0.001 0.000 0.265 275 G C -1.845 173.042 174.900 -0.022 0.000 1.329 275 G CA -0.555 44.561 45.100 0.027 0.000 1.017 275 G HN 0.050 nan 8.290 nan 0.000 0.472 276 Y N 0.770 120.924 120.300 -0.244 0.000 2.462 276 Y HA 0.770 5.321 4.550 0.000 0.000 0.346 276 Y C 0.316 176.045 175.900 -0.285 0.000 0.976 276 Y CA -0.816 57.160 58.100 -0.207 0.000 1.044 276 Y CB 1.935 40.297 38.460 -0.165 0.000 1.230 276 Y HN 0.723 nan 8.280 nan 0.000 0.455 277 R N 4.465 124.705 120.500 -0.433 0.000 2.532 277 R HA 0.541 4.882 4.340 0.001 0.000 0.295 277 R C -0.617 175.495 176.300 -0.313 0.000 0.968 277 R CA -0.564 55.256 56.100 -0.466 0.000 0.916 277 R CB 0.878 30.947 30.300 -0.385 0.000 1.124 277 R HN 0.883 nan 8.270 nan 0.000 0.463 278 R N 3.125 123.407 120.500 -0.362 0.000 2.642 278 R HA 0.214 4.555 4.340 0.001 0.000 0.435 278 R C -0.547 175.609 176.300 -0.240 0.000 1.046 278 R CA -0.294 55.691 56.100 -0.192 0.000 1.103 278 R CB 0.481 30.711 30.300 -0.117 0.000 1.425 278 R HN 0.766 nan 8.270 nan 0.000 0.586 279 C N -1.715 117.393 119.300 -0.321 0.000 3.321 279 C HA 0.621 5.081 4.460 0.001 0.000 0.363 279 C C -0.106 174.803 174.990 -0.134 0.000 1.705 279 C CA -1.517 57.358 59.018 -0.238 0.000 1.298 279 C CB 1.314 28.858 27.740 -0.327 0.000 2.086 279 C HN 0.346 nan 8.230 nan 0.000 0.438 280 R N 1.209 121.677 120.500 -0.054 0.000 2.583 280 R HA 0.429 4.769 4.340 0.001 0.000 0.274 280 R C 0.084 176.419 176.300 0.060 0.000 0.998 280 R CA 1.087 57.206 56.100 0.032 0.000 1.081 280 R CB -0.251 30.103 30.300 0.090 0.000 0.940 280 R HN 1.226 nan 8.270 nan 0.000 0.413 281 A N 3.362 126.235 122.820 0.088 0.000 2.331 281 A HA 0.273 4.593 4.320 0.001 0.000 0.283 281 A C 0.856 178.529 177.584 0.149 0.000 1.142 281 A CA 0.014 52.127 52.037 0.126 0.000 0.812 281 A CB 0.633 19.710 19.000 0.129 0.000 1.074 281 A HN 0.982 nan 8.150 nan 0.000 0.497 282 S N 1.664 117.470 115.700 0.177 0.000 2.561 282 S HA 0.115 4.586 4.470 0.001 0.000 0.225 282 S C 1.049 175.741 174.600 0.154 0.000 0.977 282 S CA 0.676 58.978 58.200 0.169 0.000 0.926 282 S CB 0.127 63.436 63.200 0.182 0.000 0.769 282 S HN 1.256 nan 8.310 nan 0.000 0.533 283 G N 1.545 110.456 108.800 0.184 0.000 3.993 283 G HA2 0.495 4.455 3.960 0.001 0.000 0.294 283 G HA3 0.495 4.455 3.960 0.001 0.000 0.294 283 G C 0.015 175.027 174.900 0.187 0.000 1.043 283 G CA 0.026 45.241 45.100 0.192 0.000 0.839 283 G HN 0.523 nan 8.290 nan 0.000 0.516 284 V N -2.563 117.441 119.914 0.151 0.000 3.093 284 V HA 0.524 4.644 4.120 0.001 0.000 0.320 284 V C 1.495 177.632 176.094 0.073 0.000 1.093 284 V CA -0.924 61.472 62.300 0.160 0.000 1.016 284 V CB 1.815 33.787 31.823 0.248 0.000 1.096 284 V HN 0.043 nan 8.190 nan 0.000 0.452 285 L N 0.450 121.722 121.223 0.082 0.000 2.083 285 L HA -0.091 4.249 4.340 0.001 0.000 0.209 285 L C 2.348 179.179 176.870 -0.065 0.000 1.083 285 L CA 2.360 57.215 54.840 0.024 0.000 0.752 285 L CB -0.073 42.024 42.059 0.063 0.000 0.899 285 L HN 1.062 nan 8.230 nan 0.000 0.433 286 T N -1.284 113.176 114.554 -0.157 0.000 3.129 286 T HA -0.047 4.303 4.350 0.001 0.000 0.251 286 T C 1.553 176.179 174.700 -0.124 0.000 1.117 286 T CA 0.829 62.795 62.100 -0.223 0.000 1.034 286 T CB -0.041 68.508 68.868 -0.531 0.000 0.968 286 T HN 0.410 nan 8.240 nan 0.000 0.526 287 T N 0.507 115.018 114.554 -0.072 0.000 2.684 287 T HA -0.119 4.231 4.350 0.001 0.000 0.267 287 T C 2.187 176.914 174.700 0.044 0.000 1.036 287 T CA 1.705 63.812 62.100 0.012 0.000 1.148 287 T CB -0.450 68.446 68.868 0.047 0.000 0.863 287 T HN 0.387 nan 8.240 nan 0.000 0.436 288 S N -0.170 115.527 115.700 -0.006 0.000 2.345 288 S HA -0.141 4.329 4.470 0.001 0.000 0.220 288 S C 2.453 177.084 174.600 0.053 0.000 1.031 288 S CA 1.354 59.544 58.200 -0.017 0.000 0.996 288 S CB -0.942 62.135 63.200 -0.205 0.000 0.882 288 S HN 0.673 nan 8.310 nan 0.000 0.445 289 C N 1.330 120.640 119.300 0.016 0.000 2.429 289 C HA 0.099 4.559 4.460 0.001 0.000 0.277 289 C C 2.761 177.817 174.990 0.110 0.000 1.262 289 C CA 1.125 60.178 59.018 0.058 0.000 1.733 289 C CB -1.802 25.936 27.740 -0.003 0.000 2.010 289 C HN 0.708 nan 8.230 nan 0.000 0.483 290 G N -0.077 108.791 108.800 0.112 0.000 2.404 290 G HA2 -0.184 3.776 3.960 0.001 0.000 0.215 290 G HA3 -0.184 3.776 3.960 0.001 0.000 0.215 290 G C 1.517 176.532 174.900 0.191 0.000 1.174 290 G CA 0.981 46.160 45.100 0.132 0.000 0.780 290 G HN 0.767 nan 8.290 nan 0.000 0.537 291 N N -0.197 118.637 118.700 0.223 0.000 2.166 291 N HA -0.092 4.648 4.740 0.001 0.000 0.186 291 N C 2.218 177.818 175.510 0.150 0.000 1.019 291 N CA 1.392 54.618 53.050 0.293 0.000 0.856 291 N CB -0.069 38.513 38.487 0.159 0.000 0.993 291 N HN 0.218 nan 8.380 nan 0.000 0.426 292 T N 1.303 115.956 114.554 0.166 0.000 2.770 292 T HA 0.013 4.364 4.350 0.001 0.000 0.263 292 T C 2.018 176.829 174.700 0.184 0.000 1.039 292 T CA 0.608 62.822 62.100 0.191 0.000 1.142 292 T CB -0.154 68.913 68.868 0.331 0.000 0.868 292 T HN 0.112 nan 8.240 nan 0.000 0.435 293 L N 0.691 121.997 121.223 0.138 0.000 2.046 293 L HA -0.120 4.221 4.340 0.001 0.000 0.208 293 L C 2.892 179.867 176.870 0.174 0.000 1.077 293 L CA 1.222 56.121 54.840 0.099 0.000 0.747 293 L CB -0.918 41.155 42.059 0.023 0.000 0.896 293 L HN 0.269 nan 8.230 nan 0.000 0.432 294 T N -1.536 113.143 114.554 0.208 0.000 2.867 294 T HA -0.211 4.139 4.350 0.001 0.000 0.268 294 T C 1.966 176.869 174.700 0.338 0.000 1.057 294 T CA 1.378 63.636 62.100 0.263 0.000 1.136 294 T CB -0.324 68.736 68.868 0.320 0.000 0.874 294 T HN 0.488 nan 8.240 nan 0.000 0.466 295 C N 0.431 119.942 119.300 0.352 0.000 2.486 295 C HA 0.026 4.486 4.460 0.001 0.000 0.279 295 C C 2.362 177.503 174.990 0.251 0.000 1.302 295 C CA 0.141 59.345 59.018 0.310 0.000 1.720 295 C CB -1.394 26.412 27.740 0.110 0.000 2.030 295 C HN 0.662 nan 8.230 nan 0.000 0.490 296 Y N 1.091 121.457 120.300 0.109 0.000 2.165 296 Y HA -0.157 4.394 4.550 0.000 0.000 0.286 296 Y C 2.250 178.174 175.900 0.041 0.000 1.155 296 Y CA 2.109 60.255 58.100 0.076 0.000 1.164 296 Y CB -0.465 38.028 38.460 0.056 0.000 0.978 296 Y HN 0.365 nan 8.280 nan 0.000 0.513 297 L N 0.266 121.566 121.223 0.130 0.000 1.994 297 L HA -0.269 4.071 4.340 0.001 0.000 0.208 297 L C 2.260 179.044 176.870 -0.143 0.000 1.071 297 L CA 2.120 56.910 54.840 -0.084 0.000 0.745 297 L CB -0.411 41.566 42.059 -0.138 0.000 0.892 297 L HN 0.265 nan 8.230 nan 0.000 0.431 298 K N -0.445 119.964 120.400 0.016 0.000 2.097 298 K HA -0.119 4.201 4.320 0.001 0.000 0.205 298 K C 2.031 178.692 176.600 0.102 0.000 1.050 298 K CA 1.245 57.599 56.287 0.112 0.000 0.938 298 K CB -0.169 32.497 32.500 0.276 0.000 0.718 298 K HN 0.422 nan 8.250 nan 0.000 0.442 299 A N 0.912 123.757 122.820 0.041 0.000 1.872 299 A HA -0.098 4.222 4.320 0.001 0.000 0.214 299 A C 2.207 179.809 177.584 0.030 0.000 1.187 299 A CA 1.497 53.567 52.037 0.055 0.000 0.614 299 A CB -0.515 18.580 19.000 0.159 0.000 0.826 299 A HN 0.138 nan 8.150 nan 0.000 0.442 300 S N 0.101 115.712 115.700 -0.149 0.000 2.365 300 S HA -0.159 4.311 4.470 0.001 0.000 0.225 300 S C 2.279 176.826 174.600 -0.089 0.000 1.039 300 S CA 1.490 59.562 58.200 -0.214 0.000 1.033 300 S CB -0.484 62.432 63.200 -0.474 0.000 0.887 300 S HN 0.800 nan 8.310 nan 0.000 0.447 301 A N 1.208 123.996 122.820 -0.053 0.000 1.930 301 A HA 0.211 4.532 4.320 0.001 0.000 0.217 301 A C 2.330 179.962 177.584 0.080 0.000 1.175 301 A CA 1.571 53.639 52.037 0.050 0.000 0.627 301 A CB -0.956 18.092 19.000 0.080 0.000 0.815 301 A HN 0.516 nan 8.150 nan 0.000 0.443 302 A N -0.941 121.913 122.820 0.055 0.000 1.930 302 A HA -0.140 4.180 4.320 0.001 0.000 0.217 302 A C 2.255 179.813 177.584 -0.044 0.000 1.175 302 A CA 1.560 53.470 52.037 -0.212 0.000 0.627 302 A CB -1.257 17.217 19.000 -0.878 0.000 0.815 302 A HN 0.585 nan 8.150 nan 0.000 0.443 303 C N -0.790 118.617 119.300 0.177 0.000 2.413 303 C HA -0.114 4.346 4.460 0.001 0.000 0.277 303 C C 2.886 177.894 174.990 0.030 0.000 1.265 303 C CA 1.246 60.405 59.018 0.236 0.000 1.752 303 C CB -1.340 26.505 27.740 0.175 0.000 1.998 303 C HN 0.607 nan 8.230 nan 0.000 0.489 304 R N 0.935 121.367 120.500 -0.113 0.000 2.073 304 R HA -0.014 4.327 4.340 0.001 0.000 0.229 304 R C 2.455 178.479 176.300 -0.460 0.000 1.120 304 R CA 1.360 57.282 56.100 -0.297 0.000 0.967 304 R CB -0.507 29.540 30.300 -0.421 0.000 0.862 304 R HN 0.514 nan 8.270 nan 0.000 0.436 305 A N 1.444 123.989 122.820 -0.458 0.000 1.908 305 A HA -0.139 4.182 4.320 0.001 0.000 0.218 305 A C 2.231 179.776 177.584 -0.064 0.000 1.181 305 A CA 1.884 53.799 52.037 -0.204 0.000 0.627 305 A CB -0.535 18.418 19.000 -0.079 0.000 0.818 305 A HN 0.396 nan 8.150 nan 0.000 0.445 306 A N -1.796 121.012 122.820 -0.021 0.000 2.251 306 A HA 0.317 4.637 4.320 0.001 0.000 0.209 306 A C 1.030 178.634 177.584 0.033 0.000 1.187 306 A CA 0.881 52.941 52.037 0.038 0.000 0.823 306 A CB -0.331 18.749 19.000 0.133 0.000 0.846 306 A HN 0.494 nan 8.150 nan 0.000 0.486 307 K N -1.050 119.355 120.400 0.007 0.000 3.069 307 K HA -0.158 4.162 4.320 0.001 0.000 0.267 307 K C -0.556 176.059 176.600 0.025 0.000 1.082 307 K CA 0.544 56.838 56.287 0.011 0.000 0.782 307 K CB -2.070 30.440 32.500 0.018 0.000 1.230 307 K HN 0.576 nan 8.250 nan 0.000 0.488 308 L N 1.566 122.815 121.223 0.045 0.000 2.525 308 L HA -0.047 4.293 4.340 0.001 0.000 0.278 308 L C 0.978 177.863 176.870 0.025 0.000 1.218 308 L CA 0.338 55.207 54.840 0.048 0.000 0.878 308 L CB 0.202 42.312 42.059 0.087 0.000 1.127 308 L HN 0.132 nan 8.230 nan 0.000 0.492 309 Q N 2.453 122.261 119.800 0.013 0.000 2.256 309 Q HA 0.158 4.499 4.340 0.001 0.000 0.257 309 Q C -0.396 175.597 176.000 -0.012 0.000 0.936 309 Q CA -0.533 55.271 55.803 0.000 0.000 0.903 309 Q CB 1.520 30.256 28.738 -0.004 0.000 1.263 309 Q HN 0.498 nan 8.270 nan 0.000 0.440 310 D N 0.389 120.782 120.400 -0.012 0.000 2.697 310 D HA -0.171 4.470 4.640 0.001 0.000 0.238 310 D C -0.656 175.626 176.300 -0.030 0.000 1.152 310 D CA 0.472 54.459 54.000 -0.021 0.000 0.666 310 D CB -1.344 39.435 40.800 -0.035 0.000 1.037 310 D HN 0.475 nan 8.370 nan 0.000 0.423 311 C N 0.652 119.943 119.300 -0.016 0.000 2.648 311 C HA 0.299 4.759 4.460 0.001 0.000 0.419 311 C C 1.176 176.157 174.990 -0.016 0.000 1.352 311 C CA 0.177 59.181 59.018 -0.023 0.000 1.816 311 C CB 0.308 28.046 27.740 -0.004 0.000 2.598 311 C HN 0.302 nan 8.230 nan 0.000 0.598 312 T N 6.087 120.618 114.554 -0.039 0.000 2.824 312 T HA 0.544 4.894 4.350 0.001 0.000 0.282 312 T C -0.398 174.305 174.700 0.004 0.000 0.993 312 T CA -0.284 61.816 62.100 0.001 0.000 0.967 312 T CB 1.022 69.848 68.868 -0.070 0.000 0.960 312 T HN 0.544 nan 8.240 nan 0.000 0.441 313 M N 3.291 122.956 119.600 0.108 0.000 2.528 313 M HA 0.588 5.068 4.480 0.001 0.000 0.321 313 M C -1.182 175.266 176.300 0.247 0.000 1.153 313 M CA -0.959 54.403 55.300 0.104 0.000 0.951 313 M CB 2.395 35.050 32.600 0.092 0.000 1.705 313 M HN 0.271 nan 8.290 nan 0.000 0.451 314 L N 2.930 124.263 121.223 0.183 0.000 2.381 314 L HA 0.768 5.109 4.340 0.001 0.000 0.274 314 L C -1.728 175.204 176.870 0.104 0.000 0.988 314 L CA -0.736 54.232 54.840 0.214 0.000 0.824 314 L CB 1.970 44.173 42.059 0.240 0.000 1.263 314 L HN 0.517 nan 8.230 nan 0.000 0.410 315 V N 4.512 124.471 119.914 0.075 0.000 2.577 315 V HA 0.429 4.550 4.120 0.001 0.000 0.303 315 V C -0.441 175.592 176.094 -0.102 0.000 1.042 315 V CA -0.577 61.753 62.300 0.051 0.000 0.872 315 V CB 1.772 33.702 31.823 0.179 0.000 0.998 315 V HN 0.828 nan 8.190 nan 0.000 0.423 316 N N 2.510 121.107 118.700 -0.172 0.000 2.336 316 N HA 0.428 5.168 4.740 0.001 0.000 0.191 316 N C 1.384 176.892 175.510 -0.004 0.000 1.266 316 N CA 0.547 53.354 53.050 -0.405 0.000 1.082 316 N CB -0.175 37.938 38.487 -0.623 0.000 1.349 316 N HN 0.658 nan 8.380 nan 0.000 0.442 317 G N 0.246 109.068 108.800 0.036 0.000 2.722 317 G HA2 -0.060 3.900 3.960 0.001 0.000 0.201 317 G HA3 -0.060 3.900 3.960 0.001 0.000 0.201 317 G C 0.312 175.091 174.900 -0.202 0.000 1.926 317 G CA 0.600 45.720 45.100 0.034 0.000 0.872 317 G HN 0.540 nan 8.290 nan 0.000 0.581 318 D N 0.784 120.964 120.400 -0.367 0.000 2.328 318 D HA 0.070 4.710 4.640 0.001 0.000 0.226 318 D C -0.666 175.603 176.300 -0.053 0.000 1.066 318 D CA -0.134 53.610 54.000 -0.428 0.000 0.861 318 D CB -0.159 40.267 40.800 -0.623 0.000 0.912 318 D HN 0.047 nan 8.370 nan 0.000 0.521 319 D N 0.960 121.347 120.400 -0.022 0.000 2.313 319 D HA 0.308 4.948 4.640 0.001 0.000 0.239 319 D C -0.496 175.827 176.300 0.039 0.000 1.142 319 D CA -0.298 53.719 54.000 0.029 0.000 0.847 319 D CB 1.537 42.341 40.800 0.006 0.000 1.082 319 D HN 0.093 nan 8.370 nan 0.000 0.480 320 L N 3.139 124.419 121.223 0.095 0.000 2.362 320 L HA 0.565 4.906 4.340 0.001 0.000 0.275 320 L C -1.338 175.539 176.870 0.012 0.000 0.998 320 L CA -0.862 54.030 54.840 0.086 0.000 0.820 320 L CB 1.794 43.965 42.059 0.187 0.000 1.270 320 L HN 0.118 nan 8.230 nan 0.000 0.415 321 V N 4.894 124.777 119.914 -0.051 0.000 2.513 321 V HA 0.504 4.625 4.120 0.001 0.000 0.299 321 V C -0.213 175.711 176.094 -0.283 0.000 1.035 321 V CA -0.635 61.566 62.300 -0.166 0.000 0.889 321 V CB 2.138 33.900 31.823 -0.100 0.000 0.988 321 V HN 0.487 nan 8.190 nan 0.000 0.440 322 V N 5.946 125.486 119.914 -0.624 0.000 2.448 322 V HA 0.558 4.678 4.120 0.001 0.000 0.295 322 V C -0.376 175.435 176.094 -0.471 0.000 1.025 322 V CA -0.400 61.523 62.300 -0.629 0.000 0.859 322 V CB 1.785 32.993 31.823 -1.024 0.000 0.988 322 V HN 0.692 nan 8.190 nan 0.000 0.431 323 I N 5.123 125.551 120.570 -0.236 0.000 2.433 323 I HA 0.741 4.911 4.170 0.001 0.000 0.292 323 I C -0.033 176.004 176.117 -0.133 0.000 1.001 323 I CA -0.282 60.938 61.300 -0.134 0.000 1.119 323 I CB 1.742 39.706 38.000 -0.060 0.000 1.289 323 I HN 0.901 nan 8.210 nan 0.000 0.438 324 C N 2.388 121.616 119.300 -0.121 0.000 3.336 324 C HA 0.555 5.016 4.460 0.001 0.000 0.339 324 C C -0.798 174.122 174.990 -0.117 0.000 1.468 324 C CA -0.908 58.054 59.018 -0.093 0.000 1.287 324 C CB 1.812 29.531 27.740 -0.035 0.000 1.682 324 C HN 0.640 nan 8.230 nan 0.000 0.451 325 E N 1.795 121.945 120.200 -0.082 0.000 2.259 325 E HA 0.286 4.636 4.350 0.001 0.000 0.281 325 E C 0.066 176.645 176.600 -0.035 0.000 1.037 325 E CA 0.473 56.825 56.400 -0.080 0.000 0.854 325 E CB 1.705 31.369 29.700 -0.061 0.000 1.051 325 E HN 0.708 nan 8.360 nan 0.000 0.409 326 S N 1.836 117.521 115.700 -0.024 0.000 2.549 326 S HA 0.213 4.684 4.470 0.001 0.000 0.283 326 S C 0.667 175.280 174.600 0.021 0.000 1.320 326 S CA 0.072 58.300 58.200 0.047 0.000 1.058 326 S CB 0.573 63.840 63.200 0.111 0.000 0.882 326 S HN 0.532 nan 8.310 nan 0.000 0.498 327 A N 3.770 126.611 122.820 0.035 0.000 2.387 327 A HA 0.618 4.938 4.320 0.001 0.000 0.234 327 A C 1.035 178.627 177.584 0.013 0.000 1.253 327 A CA 0.341 52.388 52.037 0.017 0.000 0.894 327 A CB -1.041 17.970 19.000 0.018 0.000 0.963 327 A HN 1.849 nan 8.150 nan 0.000 0.508 328 G N -1.480 107.332 108.800 0.019 0.000 2.619 328 G HA2 0.012 3.972 3.960 0.001 0.000 0.686 328 G HA3 0.012 3.972 3.960 0.001 0.000 0.686 328 G C 0.589 175.507 174.900 0.031 0.000 1.256 328 G CA 0.231 45.328 45.100 -0.006 0.000 0.826 328 G HN 1.060 nan 8.290 nan 0.000 0.619 329 T N -2.511 112.043 114.554 -0.000 0.000 2.770 329 T HA -0.072 4.278 4.350 0.001 0.000 0.263 329 T C 2.040 176.781 174.700 0.069 0.000 1.039 329 T CA 2.155 64.290 62.100 0.058 0.000 1.142 329 T CB -0.177 68.688 68.868 -0.006 0.000 0.868 329 T HN 0.512 nan 8.240 nan 0.000 0.435 330 Q N 1.142 120.960 119.800 0.031 0.000 2.119 330 Q HA 0.006 4.346 4.340 0.001 0.000 0.201 330 Q C 2.303 178.317 176.000 0.024 0.000 0.972 330 Q CA 1.523 57.341 55.803 0.025 0.000 0.847 330 Q CB -0.404 28.341 28.738 0.012 0.000 0.903 330 Q HN 0.693 nan 8.270 nan 0.000 0.433 331 E N 0.683 120.897 120.200 0.024 0.000 2.110 331 E HA -0.150 4.200 4.350 0.001 0.000 0.193 331 E C 1.543 178.160 176.600 0.028 0.000 0.988 331 E CA 1.240 57.653 56.400 0.022 0.000 0.804 331 E CB -0.014 29.698 29.700 0.019 0.000 0.745 331 E HN 0.293 nan 8.360 nan 0.000 0.458 332 D N -0.079 120.352 120.400 0.051 0.000 2.149 332 D HA -0.044 4.596 4.640 0.001 0.000 0.201 332 D C 1.850 178.153 176.300 0.005 0.000 0.972 332 D CA 1.274 55.303 54.000 0.048 0.000 0.835 332 D CB -0.340 40.536 40.800 0.126 0.000 0.966 332 D HN 0.187 nan 8.370 nan 0.000 0.476 333 A N 1.010 123.843 122.820 0.021 0.000 1.908 333 A HA -0.072 4.248 4.320 0.001 0.000 0.218 333 A C 2.271 179.842 177.584 -0.022 0.000 1.181 333 A CA 2.260 54.294 52.037 -0.005 0.000 0.627 333 A CB -0.657 18.352 19.000 0.016 0.000 0.818 333 A HN 0.240 nan 8.150 nan 0.000 0.445 334 A N -0.821 121.995 122.820 -0.007 0.000 1.872 334 A HA -0.003 4.317 4.320 0.001 0.000 0.214 334 A C 2.414 179.991 177.584 -0.012 0.000 1.187 334 A CA 1.822 53.855 52.037 -0.007 0.000 0.614 334 A CB -0.917 18.083 19.000 0.001 0.000 0.826 334 A HN 0.434 nan 8.150 nan 0.000 0.442 335 S N -0.078 115.616 115.700 -0.010 0.000 2.387 335 S HA -0.126 4.345 4.470 0.001 0.000 0.230 335 S C 1.792 176.379 174.600 -0.020 0.000 1.035 335 S CA 1.265 59.463 58.200 -0.003 0.000 1.014 335 S CB -0.283 62.920 63.200 0.004 0.000 0.836 335 S HN 0.385 nan 8.310 nan 0.000 0.466 336 L N 1.521 122.686 121.223 -0.097 0.000 2.072 336 L HA 0.071 4.411 4.340 0.001 0.000 0.205 336 L C 2.355 179.195 176.870 -0.051 0.000 1.079 336 L CA 1.525 56.246 54.840 -0.199 0.000 0.752 336 L CB -1.040 40.813 42.059 -0.343 0.000 0.906 336 L HN 0.288 nan 8.230 nan 0.000 0.436 337 R N -1.153 119.328 120.500 -0.031 0.000 2.127 337 R HA -0.130 4.210 4.340 0.001 0.000 0.238 337 R C 2.109 178.415 176.300 0.010 0.000 1.134 337 R CA 1.108 57.208 56.100 -0.000 0.000 0.975 337 R CB -0.263 30.033 30.300 -0.008 0.000 0.865 337 R HN 0.219 nan 8.270 nan 0.000 0.447 338 V N 0.427 120.347 119.914 0.010 0.000 2.548 338 V HA -0.194 3.927 4.120 0.001 0.000 0.249 338 V C 1.808 177.897 176.094 -0.007 0.000 1.055 338 V CA 1.335 63.634 62.300 -0.003 0.000 1.065 338 V CB -0.512 31.313 31.823 0.004 0.000 0.681 338 V HN 0.206 nan 8.190 nan 0.000 0.462 339 F N 1.901 121.787 119.950 -0.107 0.000 2.075 339 F HA -0.249 4.278 4.527 0.000 0.000 0.297 339 F C 2.722 178.444 175.800 -0.130 0.000 1.113 339 F CA 2.260 60.188 58.000 -0.121 0.000 1.218 339 F CB -0.466 38.443 39.000 -0.150 0.000 0.984 339 F HN 0.238 nan 8.300 nan 0.000 0.472 340 T N -1.824 112.791 114.554 0.101 0.000 3.035 340 T HA -0.103 4.248 4.350 0.001 0.000 0.268 340 T C 1.727 176.400 174.700 -0.045 0.000 1.109 340 T CA 1.407 63.563 62.100 0.093 0.000 1.119 340 T CB -0.521 68.551 68.868 0.339 0.000 0.900 340 T HN 0.519 nan 8.240 nan 0.000 0.503 341 E N 0.625 120.775 120.200 -0.085 0.000 2.047 341 E HA 0.013 4.363 4.350 0.001 0.000 0.191 341 E C 2.608 179.063 176.600 -0.241 0.000 0.987 341 E CA 1.056 57.385 56.400 -0.119 0.000 0.799 341 E CB -0.318 29.328 29.700 -0.090 0.000 0.752 341 E HN 0.680 nan 8.360 nan 0.000 0.449 342 A N 1.175 123.783 122.820 -0.354 0.000 1.877 342 A HA -0.201 4.119 4.320 0.001 0.000 0.216 342 A C 2.148 179.212 177.584 -0.865 0.000 1.186 342 A CA 1.360 53.013 52.037 -0.641 0.000 0.620 342 A CB -0.390 18.268 19.000 -0.569 0.000 0.822 342 A HN 0.163 nan 8.150 nan 0.000 0.443 343 M N 0.490 119.730 119.600 -0.600 0.000 2.108 343 M HA -0.153 4.327 4.480 0.001 0.000 0.261 343 M C 2.371 178.586 176.300 -0.142 0.000 1.066 343 M CA 2.290 57.385 55.300 -0.341 0.000 1.107 343 M CB -1.887 30.497 32.600 -0.360 0.000 1.356 343 M HN 0.743 nan 8.290 nan 0.000 0.406 344 T N -1.976 112.501 114.554 -0.130 0.000 2.777 344 T HA -0.109 4.241 4.350 0.001 0.000 0.266 344 T C 2.003 176.656 174.700 -0.079 0.000 1.040 344 T CA 0.938 63.010 62.100 -0.046 0.000 1.141 344 T CB -0.435 68.414 68.868 -0.031 0.000 0.868 344 T HN 0.337 nan 8.240 nan 0.000 0.444 345 R N 0.017 120.407 120.500 -0.184 0.000 2.117 345 R HA -0.084 4.256 4.340 0.001 0.000 0.243 345 R C 1.846 178.126 176.300 -0.032 0.000 1.143 345 R CA 1.566 57.568 56.100 -0.163 0.000 0.968 345 R CB -0.432 29.693 30.300 -0.291 0.000 0.863 345 R HN 0.462 nan 8.270 nan 0.000 0.444 346 Y N -0.747 119.523 120.300 -0.049 0.000 2.529 346 Y HA 0.064 4.614 4.550 0.001 0.000 0.290 346 Y C 1.405 177.289 175.900 -0.025 0.000 1.177 346 Y CA 0.111 58.177 58.100 -0.056 0.000 1.305 346 Y CB 0.068 38.526 38.460 -0.003 0.000 1.047 346 Y HN 0.059 nan 8.280 nan 0.000 0.522 347 S N -1.736 114.035 115.700 0.118 0.000 2.130 347 S HA -0.155 4.315 4.470 0.001 0.000 0.254 347 S C 0.391 175.051 174.600 0.101 0.000 1.284 347 S CA 0.504 58.757 58.200 0.089 0.000 1.237 347 S CB -1.614 61.626 63.200 0.066 0.000 1.537 347 S HN 0.538 nan 8.310 nan 0.000 0.622 348 A N 2.296 125.202 122.820 0.142 0.000 2.937 348 A HA 0.641 4.961 4.320 0.001 0.000 0.338 348 A C -2.323 175.422 177.584 0.269 0.000 1.273 348 A CA -1.216 50.950 52.037 0.216 0.000 0.937 348 A CB 0.484 19.680 19.000 0.325 0.000 1.133 348 A HN 0.414 nan 8.150 nan 0.000 0.491 349 P HA 0.372 nan 4.420 nan 0.000 0.276 349 P C -3.002 174.373 177.300 0.124 0.000 1.244 349 P CA -1.654 61.539 63.100 0.155 0.000 0.801 349 P CB 0.869 32.585 31.700 0.027 0.000 1.006 350 P HA 0.110 nan 4.420 nan 0.000 0.281 350 P C 0.964 178.180 177.300 -0.140 0.000 1.249 350 P CA -0.035 62.906 63.100 -0.265 0.000 0.810 350 P CB 0.842 32.279 31.700 -0.439 0.000 1.008 351 G N 2.364 111.082 108.800 -0.137 0.000 2.511 351 G HA2 -0.097 3.864 3.960 0.001 0.000 0.216 351 G HA3 -0.097 3.864 3.960 0.001 0.000 0.216 351 G C 0.063 174.918 174.900 -0.076 0.000 1.218 351 G CA 0.620 45.675 45.100 -0.075 0.000 0.788 351 G HN 0.549 nan 8.290 nan 0.000 0.560 352 D N 0.714 121.059 120.400 -0.092 0.000 2.252 352 D HA 0.404 5.044 4.640 0.001 0.000 0.245 352 D C -2.676 173.573 176.300 -0.086 0.000 1.009 352 D CA -1.310 52.649 54.000 -0.069 0.000 0.870 352 D CB 1.803 42.575 40.800 -0.047 0.000 1.251 352 D HN -0.022 nan 8.370 nan 0.000 0.460 353 P HA 0.132 nan 4.420 nan 0.000 0.267 353 P C -2.364 174.927 177.300 -0.015 0.000 1.200 353 P CA -0.797 62.290 63.100 -0.021 0.000 0.772 353 P CB -0.310 31.387 31.700 -0.005 0.000 0.855 354 P HA 0.136 nan 4.420 nan 0.000 0.274 354 P C -0.831 176.446 177.300 -0.039 0.000 1.231 354 P CA -0.011 63.106 63.100 0.029 0.000 0.790 354 P CB 0.696 32.434 31.700 0.063 0.000 0.951 355 Q N 1.788 121.582 119.800 -0.010 0.000 2.340 355 Q HA 0.430 4.770 4.340 0.001 0.000 0.268 355 Q C -2.409 173.570 176.000 -0.035 0.000 1.031 355 Q CA -2.081 53.703 55.803 -0.031 0.000 0.804 355 Q CB 1.658 30.390 28.738 -0.010 0.000 1.286 355 Q HN 0.329 nan 8.270 nan 0.000 0.448 356 P HA 0.124 nan 4.420 nan 0.000 0.271 356 P C -0.550 176.576 177.300 -0.289 0.000 1.216 356 P CA 0.051 63.052 63.100 -0.164 0.000 0.771 356 P CB 0.870 32.469 31.700 -0.169 0.000 0.864 357 E N 1.928 121.917 120.200 -0.351 0.000 2.238 357 E HA 0.222 4.573 4.350 0.001 0.000 0.267 357 E C -0.479 175.866 176.600 -0.425 0.000 0.887 357 E CA -0.407 55.811 56.400 -0.304 0.000 0.769 357 E CB 1.514 31.167 29.700 -0.078 0.000 1.187 357 E HN 0.465 nan 8.360 nan 0.000 0.416 358 Y N -0.208 120.231 120.300 0.232 0.000 2.531 358 Y HA 0.170 4.720 4.550 0.000 0.000 0.249 358 Y C 0.335 176.477 175.900 0.403 0.000 1.168 358 Y CA -0.423 57.874 58.100 0.329 0.000 1.226 358 Y CB 1.042 39.600 38.460 0.165 0.000 1.177 358 Y HN 0.244 nan 8.280 nan 0.000 0.527 359 D N 0.605 121.157 120.400 0.252 0.000 2.542 359 D HA 0.140 4.780 4.640 0.001 0.000 0.252 359 D C 0.601 176.692 176.300 -0.348 0.000 1.222 359 D CA -0.238 53.769 54.000 0.012 0.000 0.895 359 D CB 1.329 42.150 40.800 0.034 0.000 1.207 359 D HN 0.157 nan 8.370 nan 0.000 0.558 360 L N 3.044 123.744 121.223 -0.871 0.000 2.129 360 L HA -0.125 4.216 4.340 0.001 0.000 0.212 360 L C 1.877 178.434 176.870 -0.522 0.000 1.087 360 L CA 1.315 55.496 54.840 -1.097 0.000 0.757 360 L CB 0.097 41.301 42.059 -1.424 0.000 0.896 360 L HN 0.590 nan 8.230 nan 0.000 0.434 361 E N -0.056 119.935 120.200 -0.348 0.000 2.204 361 E HA -0.215 4.135 4.350 0.001 0.000 0.195 361 E C 2.043 178.547 176.600 -0.161 0.000 0.990 361 E CA 0.769 57.042 56.400 -0.212 0.000 0.821 361 E CB 0.022 29.640 29.700 -0.137 0.000 0.750 361 E HN 0.572 nan 8.360 nan 0.000 0.477 362 L N 0.888 122.021 121.223 -0.150 0.000 2.599 362 L HA 0.146 4.487 4.340 0.001 0.000 0.230 362 L C 0.591 177.406 176.870 -0.092 0.000 1.141 362 L CA -0.079 54.704 54.840 -0.095 0.000 0.877 362 L CB 0.092 42.115 42.059 -0.059 0.000 1.009 362 L HN 0.079 nan 8.230 nan 0.000 0.447 363 I N 0.508 121.000 120.570 -0.131 0.000 2.308 363 I HA 0.080 4.250 4.170 0.001 0.000 0.293 363 I C -0.045 176.023 176.117 -0.081 0.000 1.078 363 I CA 0.201 61.441 61.300 -0.100 0.000 1.292 363 I CB 0.850 38.771 38.000 -0.131 0.000 1.423 363 I HN -0.068 nan 8.210 nan 0.000 0.493 364 T N 5.124 119.650 114.554 -0.046 0.000 2.758 364 T HA 0.453 4.803 4.350 0.001 0.000 0.285 364 T C -0.070 174.624 174.700 -0.010 0.000 0.981 364 T CA -0.571 61.511 62.100 -0.029 0.000 0.965 364 T CB 1.017 69.869 68.868 -0.025 0.000 0.927 364 T HN 0.729 nan 8.240 nan 0.000 0.448 365 S N 0.854 116.551 115.700 -0.004 0.000 2.564 365 S HA 0.443 4.913 4.470 0.001 0.000 0.274 365 S C 0.103 174.716 174.600 0.021 0.000 1.124 365 S CA -0.785 57.420 58.200 0.009 0.000 0.869 365 S CB 0.736 63.938 63.200 0.003 0.000 1.105 365 S HN 0.907 nan 8.310 nan 0.000 0.472 366 C N 1.864 121.181 119.300 0.029 0.000 4.235 366 C HA -0.149 4.311 4.460 0.001 0.000 0.301 366 C C 1.378 176.414 174.990 0.077 0.000 1.409 366 C CA 0.581 59.629 59.018 0.050 0.000 2.024 366 C CB -3.420 24.342 27.740 0.036 0.000 1.286 366 C HN 1.744 nan 8.230 nan 0.000 0.746 367 S N -2.199 113.534 115.700 0.056 0.000 3.257 367 S HA -0.220 4.250 4.470 0.001 0.000 0.300 367 S C 0.340 174.969 174.600 0.048 0.000 1.275 367 S CA 1.407 59.635 58.200 0.045 0.000 1.023 367 S CB -0.969 62.264 63.200 0.055 0.000 1.180 367 S HN 1.077 nan 8.310 nan 0.000 0.660 368 S N 1.245 116.989 115.700 0.073 0.000 2.634 368 S HA 0.750 5.221 4.470 0.001 0.000 0.296 368 S C -0.198 174.422 174.600 0.034 0.000 1.104 368 S CA -0.718 57.544 58.200 0.102 0.000 0.920 368 S CB 2.026 65.358 63.200 0.221 0.000 1.111 368 S HN 0.706 nan 8.310 nan 0.000 0.493 369 N N -1.552 117.157 118.700 0.015 0.000 2.525 369 N HA 0.625 5.365 4.740 0.001 0.000 0.270 369 N C -1.504 173.950 175.510 -0.093 0.000 1.321 369 N CA -0.946 52.071 53.050 -0.055 0.000 0.797 369 N CB 0.778 39.215 38.487 -0.082 0.000 1.529 369 N HN 0.298 nan 8.380 nan 0.000 0.491 370 V N 0.273 120.095 119.914 -0.153 0.000 2.732 370 V HA 0.582 4.703 4.120 0.001 0.000 0.297 370 V C 0.298 176.242 176.094 -0.249 0.000 1.060 370 V CA -0.128 62.048 62.300 -0.207 0.000 1.038 370 V CB 0.867 32.561 31.823 -0.214 0.000 1.003 370 V HN 0.824 nan 8.190 nan 0.000 0.481 371 S N 1.805 117.279 115.700 -0.376 0.000 2.705 371 S HA 0.832 5.303 4.470 0.001 0.000 0.280 371 S C -1.161 173.291 174.600 -0.247 0.000 1.174 371 S CA -0.494 57.515 58.200 -0.320 0.000 0.823 371 S CB 2.060 65.051 63.200 -0.348 0.000 1.162 371 S HN 0.703 nan 8.310 nan 0.000 0.487 372 V N 0.283 120.146 119.914 -0.085 0.000 2.680 372 V HA 1.052 5.172 4.120 0.001 0.000 0.309 372 V C 0.172 176.228 176.094 -0.063 0.000 1.052 372 V CA -0.424 61.794 62.300 -0.137 0.000 0.908 372 V CB 0.637 32.300 31.823 -0.266 0.000 1.001 372 V HN 1.188 nan 8.190 nan 0.000 0.431 373 A N 2.020 124.690 122.820 -0.250 0.000 2.566 373 A HA 0.940 5.260 4.320 0.001 0.000 0.291 373 A C -1.274 175.877 177.584 -0.721 0.000 1.278 373 A CA -0.637 51.056 52.037 -0.573 0.000 0.711 373 A CB 1.671 20.241 19.000 -0.717 0.000 1.332 373 A HN 0.940 nan 8.150 nan 0.000 0.478 374 H N 0.394 119.204 119.070 -0.433 0.000 2.717 374 H HA 0.446 5.002 4.556 0.000 0.000 0.366 374 H C -1.092 174.121 175.328 -0.191 0.000 1.132 374 H CA -0.389 55.456 56.048 -0.338 0.000 1.180 374 H CB 1.620 31.135 29.762 -0.413 0.000 1.678 374 H HN 0.892 nan 8.280 nan 0.000 0.537 375 D N 0.513 120.959 120.400 0.076 0.000 2.447 375 D HA 0.211 4.851 4.640 0.001 0.000 0.265 375 D C 1.361 177.793 176.300 0.220 0.000 1.250 375 D CA -0.220 53.847 54.000 0.112 0.000 1.046 375 D CB 0.383 41.211 40.800 0.046 0.000 1.095 375 D HN 0.427 nan 8.370 nan 0.000 0.555 376 A N -0.060 122.826 122.820 0.111 0.000 1.892 376 A HA -0.201 4.119 4.320 0.001 0.000 0.218 376 A C 2.101 179.722 177.584 0.061 0.000 1.188 376 A CA 2.974 55.040 52.037 0.049 0.000 0.631 376 A CB -1.401 17.610 19.000 0.018 0.000 0.822 376 A HN 0.697 nan 8.150 nan 0.000 0.447 377 S N -1.517 114.215 115.700 0.053 0.000 2.603 377 S HA 0.310 4.780 4.470 0.001 0.000 0.229 377 S C 1.444 176.055 174.600 0.018 0.000 0.972 377 S CA 1.232 59.451 58.200 0.030 0.000 0.935 377 S CB -0.540 62.671 63.200 0.018 0.000 0.769 377 S HN 2.079 nan 8.310 nan 0.000 0.536 378 G N 0.861 109.688 108.800 0.045 0.000 2.176 378 G HA2 -0.296 3.664 3.960 0.001 0.000 0.253 378 G HA3 -0.296 3.664 3.960 0.001 0.000 0.253 378 G C -0.040 174.746 174.900 -0.189 0.000 0.979 378 G CA 0.286 45.342 45.100 -0.073 0.000 0.641 378 G HN 0.822 nan 8.290 nan 0.000 0.530 379 K N 0.923 121.292 120.400 -0.051 0.000 2.237 379 K HA 0.440 4.760 4.320 0.001 0.000 0.270 379 K C 0.788 177.429 176.600 0.068 0.000 1.015 379 K CA -0.726 55.547 56.287 -0.023 0.000 0.949 379 K CB 0.312 32.814 32.500 0.004 0.000 0.976 379 K HN 0.270 nan 8.250 nan 0.000 0.472 380 R N 2.182 122.726 120.500 0.073 0.000 2.421 380 R HA 0.106 4.446 4.340 0.001 0.000 0.305 380 R C -0.718 175.481 176.300 -0.169 0.000 1.039 380 R CA -0.304 55.794 56.100 -0.003 0.000 1.003 380 R CB 0.563 30.784 30.300 -0.132 0.000 0.959 380 R HN 0.281 nan 8.270 nan 0.000 0.427 381 V N 5.132 124.899 119.914 -0.244 0.000 2.448 381 V HA 0.281 4.401 4.120 0.001 0.000 0.295 381 V C -0.698 175.253 176.094 -0.238 0.000 1.025 381 V CA -0.915 61.283 62.300 -0.171 0.000 0.859 381 V CB 1.144 32.922 31.823 -0.075 0.000 0.988 381 V HN 0.558 nan 8.190 nan 0.000 0.431 382 Y N 4.943 125.282 120.300 0.065 0.000 2.334 382 Y HA 0.707 5.257 4.550 0.001 0.000 0.328 382 Y C -0.020 175.958 175.900 0.130 0.000 1.130 382 Y CA -0.424 57.704 58.100 0.047 0.000 1.163 382 Y CB 1.363 39.799 38.460 -0.041 0.000 1.207 382 Y HN 0.746 nan 8.280 nan 0.000 0.471 383 Y N -0.004 120.367 120.300 0.119 0.000 2.638 383 Y HA 0.659 5.209 4.550 0.000 0.000 0.335 383 Y C -2.296 173.662 175.900 0.096 0.000 1.155 383 Y CA -1.817 56.330 58.100 0.078 0.000 1.046 383 Y CB 0.779 39.254 38.460 0.024 0.000 1.303 383 Y HN 0.461 nan 8.280 nan 0.000 0.460 384 L N 3.059 124.362 121.223 0.133 0.000 2.265 384 L HA 0.669 5.009 4.340 0.001 0.000 0.288 384 L C -0.158 176.916 176.870 0.339 0.000 1.058 384 L CA 0.335 55.249 54.840 0.124 0.000 0.809 384 L CB 1.018 43.183 42.059 0.177 0.000 1.179 384 L HN 0.994 nan 8.230 nan 0.000 0.429 385 T N 3.222 117.895 114.554 0.198 0.000 2.844 385 T HA 0.900 5.251 4.350 0.001 0.000 0.274 385 T C -0.433 174.381 174.700 0.190 0.000 0.991 385 T CA -0.967 61.328 62.100 0.325 0.000 0.983 385 T CB 1.701 70.715 68.868 0.245 0.000 1.310 385 T HN 0.722 nan 8.240 nan 0.000 0.596 386 R N -0.847 119.684 120.500 0.052 0.000 2.741 386 R HA 0.476 4.816 4.340 0.001 0.000 0.274 386 R C -1.898 174.217 176.300 -0.309 0.000 1.029 386 R CA -0.979 55.038 56.100 -0.138 0.000 0.880 386 R CB 0.556 30.707 30.300 -0.249 0.000 1.264 386 R HN 0.562 nan 8.270 nan 0.000 0.465 387 D N 1.543 121.758 120.400 -0.307 0.000 2.383 387 D HA 0.097 4.737 4.640 0.001 0.000 0.252 387 D C -1.430 174.499 176.300 -0.619 0.000 1.166 387 D CA -1.644 52.133 54.000 -0.371 0.000 0.879 387 D CB 1.383 42.049 40.800 -0.223 0.000 1.164 387 D HN 0.349 nan 8.370 nan 0.000 0.462 388 P HA 0.013 nan 4.420 nan 0.000 0.245 388 P C 1.079 178.042 177.300 -0.562 0.000 1.212 388 P CA 0.152 62.590 63.100 -1.103 0.000 0.774 388 P CB 0.317 31.327 31.700 -1.151 0.000 0.999 389 T N -0.363 113.975 114.554 -0.360 0.000 2.674 389 T HA -0.109 4.241 4.350 0.001 0.000 0.265 389 T C 1.764 176.377 174.700 -0.145 0.000 1.039 389 T CA 2.203 64.184 62.100 -0.198 0.000 1.150 389 T CB -0.960 67.833 68.868 -0.125 0.000 0.864 389 T HN 0.191 nan 8.240 nan 0.000 0.427 390 T N 2.298 116.768 114.554 -0.140 0.000 2.701 390 T HA -0.049 4.302 4.350 0.001 0.000 0.263 390 T C -0.586 174.047 174.700 -0.112 0.000 1.040 390 T CA 1.163 63.201 62.100 -0.103 0.000 1.147 390 T CB -1.249 67.579 68.868 -0.067 0.000 0.865 390 T HN 0.319 nan 8.240 nan 0.000 0.426 391 P HA -0.058 nan 4.420 nan 0.000 0.216 391 P C 1.566 178.877 177.300 0.019 0.000 1.157 391 P CA 1.058 64.132 63.100 -0.043 0.000 0.880 391 P CB -0.254 31.389 31.700 -0.096 0.000 0.791 392 L N -1.428 119.760 121.223 -0.058 0.000 2.083 392 L HA -0.162 4.178 4.340 0.001 0.000 0.209 392 L C 2.488 179.385 176.870 0.046 0.000 1.083 392 L CA 1.580 56.417 54.840 -0.004 0.000 0.752 392 L CB -1.160 40.850 42.059 -0.081 0.000 0.899 392 L HN -0.035 nan 8.230 nan 0.000 0.433 393 A N 0.121 122.952 122.820 0.018 0.000 1.898 393 A HA -0.180 4.140 4.320 0.001 0.000 0.216 393 A C 2.391 180.044 177.584 0.115 0.000 1.181 393 A CA 1.357 53.431 52.037 0.062 0.000 0.620 393 A CB -0.383 18.625 19.000 0.014 0.000 0.819 393 A HN 0.302 nan 8.150 nan 0.000 0.442 394 R N -0.714 119.822 120.500 0.061 0.000 2.090 394 R HA 0.051 4.392 4.340 0.001 0.000 0.228 394 R C 2.432 178.878 176.300 0.243 0.000 1.110 394 R CA 0.979 57.128 56.100 0.082 0.000 0.973 394 R CB -0.348 29.928 30.300 -0.039 0.000 0.869 394 R HN 0.496 nan 8.270 nan 0.000 0.440 395 A N 1.077 124.065 122.820 0.281 0.000 1.933 395 A HA -0.090 4.230 4.320 0.001 0.000 0.218 395 A C 2.296 180.132 177.584 0.420 0.000 1.175 395 A CA 1.636 53.951 52.037 0.463 0.000 0.628 395 A CB -0.511 18.810 19.000 0.534 0.000 0.814 395 A HN 0.384 nan 8.150 nan 0.000 0.444 396 A N -1.478 121.509 122.820 0.278 0.000 1.930 396 A HA -0.140 4.180 4.320 0.001 0.000 0.217 396 A C 2.063 179.798 177.584 0.252 0.000 1.175 396 A CA 1.234 53.403 52.037 0.220 0.000 0.627 396 A CB -0.781 18.317 19.000 0.164 0.000 0.815 396 A HN 0.812 nan 8.150 nan 0.000 0.443 397 W N 1.092 122.455 121.300 0.105 0.000 2.358 397 W HA -0.142 4.518 4.660 0.001 0.000 0.303 397 W C 1.479 178.066 176.519 0.113 0.000 1.208 397 W CA 1.946 59.341 57.345 0.083 0.000 1.274 397 W CB -0.244 29.238 29.460 0.037 0.000 1.138 397 W HN 0.537 nan 8.180 nan 0.000 0.515 398 E N -0.940 119.528 120.200 0.447 0.000 2.481 398 E HA -0.085 4.265 4.350 0.001 0.000 0.195 398 E C 1.892 178.675 176.600 0.305 0.000 1.047 398 E CA 1.112 57.736 56.400 0.374 0.000 0.867 398 E CB 0.001 29.939 29.700 0.397 0.000 0.858 398 E HN 0.087 nan 8.360 nan 0.000 0.513 399 T N 0.514 115.237 114.554 0.281 0.000 2.821 399 T HA -0.102 4.249 4.350 0.001 0.000 0.267 399 T C 1.920 176.682 174.700 0.103 0.000 1.046 399 T CA 1.251 63.458 62.100 0.178 0.000 1.139 399 T CB 0.019 68.993 68.868 0.177 0.000 0.871 399 T HN 0.224 nan 8.240 nan 0.000 0.454 400 A N 0.356 123.210 122.820 0.056 0.000 2.115 400 A HA 0.276 4.596 4.320 0.001 0.000 0.211 400 A C 1.253 178.831 177.584 -0.010 0.000 1.169 400 A CA 0.144 52.168 52.037 -0.021 0.000 0.787 400 A CB 0.307 19.232 19.000 -0.125 0.000 0.858 400 A HN 0.105 nan 8.150 nan 0.000 0.474 401 R N -1.472 119.055 120.500 0.045 0.000 2.711 401 R HA 0.375 4.716 4.340 0.001 0.000 0.284 401 R C -0.171 176.268 176.300 0.231 0.000 0.968 401 R CA -0.498 55.676 56.100 0.123 0.000 0.924 401 R CB 1.088 31.480 30.300 0.154 0.000 1.162 401 R HN 0.429 nan 8.270 nan 0.000 0.465 402 H N 0.412 119.555 119.070 0.122 0.000 2.497 402 H HA 0.078 4.634 4.556 0.001 0.000 0.282 402 H C -0.498 174.902 175.328 0.121 0.000 1.003 402 H CA 1.226 57.347 56.048 0.121 0.000 1.307 402 H CB 0.508 30.322 29.762 0.086 0.000 1.437 402 H HN 0.740 nan 8.280 nan 0.000 0.544 403 T N 1.635 116.259 114.554 0.117 0.000 1.586 403 T HA -0.107 4.243 4.350 0.001 0.000 0.639 403 T C -1.831 172.831 174.700 -0.065 0.000 0.947 403 T CA 0.280 62.399 62.100 0.032 0.000 3.397 403 T CB -0.547 68.351 68.868 0.050 0.000 1.950 403 T HN 0.358 nan 8.240 nan 0.000 0.385 404 P HA -0.080 nan 4.420 nan 0.000 0.219 404 P C 0.742 177.903 177.300 -0.232 0.000 1.147 404 P CA 0.743 63.744 63.100 -0.165 0.000 0.821 404 P CB 0.262 31.807 31.700 -0.258 0.000 0.771 405 V N 0.084 119.884 119.914 -0.190 0.000 2.398 405 V HA 0.228 4.349 4.120 0.001 0.000 0.286 405 V C -0.070 175.925 176.094 -0.165 0.000 1.026 405 V CA -0.568 61.622 62.300 -0.184 0.000 0.868 405 V CB 0.997 32.717 31.823 -0.171 0.000 0.982 405 V HN -0.096 nan 8.190 nan 0.000 0.443 406 N N 3.581 122.139 118.700 -0.238 0.000 3.091 406 N HA 0.126 4.866 4.740 0.001 0.000 0.255 406 N C 1.332 176.561 175.510 -0.467 0.000 1.204 406 N CA 0.259 53.096 53.050 -0.354 0.000 0.990 406 N CB 1.002 39.142 38.487 -0.579 0.000 1.260 406 N HN 0.777 nan 8.380 nan 0.000 0.502 407 S N 1.222 116.787 115.700 -0.225 0.000 2.402 407 S HA -0.204 4.266 4.470 0.001 0.000 0.233 407 S C 1.821 176.340 174.600 -0.134 0.000 1.030 407 S CA 0.752 58.859 58.200 -0.156 0.000 1.003 407 S CB -0.423 62.737 63.200 -0.066 0.000 0.813 407 S HN 0.791 nan 8.310 nan 0.000 0.477 408 W N 0.873 122.065 121.300 -0.180 0.000 2.358 408 W HA -0.000 4.660 4.660 0.001 0.000 0.303 408 W C 1.736 178.123 176.519 -0.220 0.000 1.208 408 W CA 0.449 57.645 57.345 -0.248 0.000 1.274 408 W CB -1.145 27.860 29.460 -0.759 0.000 1.138 408 W HN 0.355 nan 8.180 nan 0.000 0.515 409 L N 2.707 123.199 121.223 -1.218 0.000 2.072 409 L HA 0.165 4.506 4.340 0.001 0.000 0.205 409 L C 2.761 179.360 176.870 -0.452 0.000 1.079 409 L CA 2.648 56.873 54.840 -1.025 0.000 0.752 409 L CB -1.469 39.723 42.059 -1.444 0.000 0.906 409 L HN 0.077 nan 8.230 nan 0.000 0.436 410 G N -0.505 108.063 108.800 -0.387 0.000 2.469 410 G HA2 -0.336 3.624 3.960 0.001 0.000 0.219 410 G HA3 -0.336 3.624 3.960 0.001 0.000 0.219 410 G C 1.509 176.342 174.900 -0.110 0.000 1.150 410 G CA 0.895 45.854 45.100 -0.236 0.000 0.763 410 G HN 0.441 nan 8.290 nan 0.000 0.561 411 N N 0.341 119.039 118.700 -0.004 0.000 2.244 411 N HA 0.011 4.751 4.740 0.001 0.000 0.183 411 N C 2.232 177.829 175.510 0.145 0.000 1.016 411 N CA 0.566 53.740 53.050 0.206 0.000 0.866 411 N CB -0.091 38.596 38.487 0.333 0.000 0.980 411 N HN 0.342 nan 8.380 nan 0.000 0.430 412 I N 0.704 121.308 120.570 0.056 0.000 2.315 412 I HA -0.183 3.987 4.170 0.001 0.000 0.248 412 I C 1.888 178.001 176.117 -0.006 0.000 1.117 412 I CA 0.753 62.074 61.300 0.036 0.000 1.404 412 I CB 0.001 38.075 38.000 0.125 0.000 1.071 412 I HN 0.019 nan 8.210 nan 0.000 0.419 413 I N -0.157 120.397 120.570 -0.027 0.000 2.286 413 I HA -0.289 3.881 4.170 0.001 0.000 0.245 413 I C 2.463 178.622 176.117 0.071 0.000 1.104 413 I CA 1.432 62.729 61.300 -0.005 0.000 1.397 413 I CB -0.161 37.789 38.000 -0.084 0.000 1.072 413 I HN 0.159 nan 8.210 nan 0.000 0.417 414 M N -1.154 118.427 119.600 -0.032 0.000 2.236 414 M HA -0.109 4.371 4.480 0.001 0.000 0.266 414 M C 0.814 176.965 176.300 -0.249 0.000 1.070 414 M CA 1.698 56.913 55.300 -0.141 0.000 1.137 414 M CB 0.016 32.368 32.600 -0.413 0.000 1.378 414 M HN 0.150 nan 8.290 nan 0.000 0.426 415 Y N -0.951 119.317 120.300 -0.054 0.000 2.734 415 Y HA 0.415 4.966 4.550 0.001 0.000 0.278 415 Y C 1.691 177.309 175.900 -0.470 0.000 1.108 415 Y CA -0.506 57.448 58.100 -0.243 0.000 1.211 415 Y CB -0.361 37.916 38.460 -0.306 0.000 1.182 415 Y HN 0.128 nan 8.280 nan 0.000 0.547 416 A N 1.045 123.646 122.820 -0.365 0.000 1.948 416 A HA -0.164 4.157 4.320 0.001 0.000 0.220 416 A C -0.462 176.839 177.584 -0.472 0.000 1.177 416 A CA 1.545 53.350 52.037 -0.387 0.000 0.636 416 A CB -1.370 17.436 19.000 -0.323 0.000 0.815 416 A HN 0.288 nan 8.150 nan 0.000 0.449 417 P HA 0.002 nan 4.420 nan 0.000 0.230 417 P C 0.636 177.641 177.300 -0.491 0.000 1.158 417 P CA 1.301 64.097 63.100 -0.506 0.000 0.769 417 P CB -0.485 30.915 31.700 -0.501 0.000 0.807 418 T N -2.995 111.256 114.554 -0.504 0.000 2.899 418 T HA 0.162 4.512 4.350 0.001 0.000 0.295 418 T C 1.209 175.453 174.700 -0.759 0.000 1.033 418 T CA -0.691 61.064 62.100 -0.576 0.000 1.084 418 T CB 0.688 69.013 68.868 -0.905 0.000 0.979 418 T HN -0.114 nan 8.240 nan 0.000 0.532 419 L N 2.008 122.653 121.223 -0.963 0.000 1.990 419 L HA -0.088 4.252 4.340 0.001 0.000 0.213 419 L C 2.581 179.114 176.870 -0.561 0.000 1.072 419 L CA 1.938 56.188 54.840 -0.984 0.000 0.755 419 L CB -0.408 41.020 42.059 -1.051 0.000 0.889 419 L HN 0.946 nan 8.230 nan 0.000 0.432 420 W N -0.578 120.486 121.300 -0.394 0.000 2.388 420 W HA -0.042 4.618 4.660 0.000 0.000 0.294 420 W C 2.087 178.454 176.519 -0.252 0.000 1.212 420 W CA 0.710 57.869 57.345 -0.309 0.000 1.271 420 W CB -1.288 28.021 29.460 -0.251 0.000 1.126 420 W HN 0.261 nan 8.180 nan 0.000 0.535 421 A N 1.540 123.928 122.820 -0.720 0.000 1.930 421 A HA -0.105 4.215 4.320 0.001 0.000 0.217 421 A C 2.234 179.667 177.584 -0.253 0.000 1.175 421 A CA 1.693 53.453 52.037 -0.463 0.000 0.627 421 A CB -0.761 17.812 19.000 -0.711 0.000 0.815 421 A HN 0.285 nan 8.150 nan 0.000 0.443 422 R N -1.161 119.102 120.500 -0.396 0.000 2.057 422 R HA 0.053 4.393 4.340 0.001 0.000 0.229 422 R C 2.335 178.474 176.300 -0.268 0.000 1.136 422 R CA 1.831 57.709 56.100 -0.369 0.000 0.952 422 R CB -0.271 29.658 30.300 -0.618 0.000 0.848 422 R HN 0.531 nan 8.270 nan 0.000 0.430 423 M N -0.533 118.789 119.600 -0.464 0.000 2.160 423 M HA -0.062 4.418 4.480 0.001 0.000 0.264 423 M C 2.003 178.307 176.300 0.005 0.000 1.073 423 M CA 1.547 56.708 55.300 -0.231 0.000 1.142 423 M CB -0.018 32.386 32.600 -0.325 0.000 1.358 423 M HN 0.128 nan 8.290 nan 0.000 0.422 424 I N -0.244 120.150 120.570 -0.295 0.000 2.405 424 I HA -0.172 3.998 4.170 0.001 0.000 0.236 424 I C 2.192 178.146 176.117 -0.272 0.000 1.071 424 I CA 0.715 61.579 61.300 -0.726 0.000 1.398 424 I CB -0.367 37.169 38.000 -0.773 0.000 1.162 424 I HN 0.164 nan 8.210 nan 0.000 0.432 425 L N 0.027 121.269 121.223 0.031 0.000 2.017 425 L HA -0.211 4.129 4.340 0.001 0.000 0.208 425 L C 2.679 179.860 176.870 0.519 0.000 1.073 425 L CA 1.572 56.628 54.840 0.361 0.000 0.745 425 L CB -0.456 41.848 42.059 0.408 0.000 0.894 425 L HN 0.295 nan 8.230 nan 0.000 0.432 426 M N -0.922 118.931 119.600 0.421 0.000 2.086 426 M HA -0.179 4.301 4.480 0.001 0.000 0.261 426 M C 2.338 179.135 176.300 0.829 0.000 1.067 426 M CA 1.959 57.618 55.300 0.598 0.000 1.116 426 M CB -0.571 32.182 32.600 0.255 0.000 1.348 426 M HN 0.238 nan 8.290 nan 0.000 0.407 427 T N -1.127 113.877 114.554 0.750 0.000 2.674 427 T HA -0.231 4.119 4.350 0.001 0.000 0.265 427 T C 1.715 176.724 174.700 0.514 0.000 1.039 427 T CA 1.515 64.037 62.100 0.703 0.000 1.150 427 T CB -0.609 68.702 68.868 0.739 0.000 0.864 427 T HN 0.507 nan 8.240 nan 0.000 0.427 428 H N -0.368 118.872 119.070 0.284 0.000 2.293 428 H HA -0.071 4.485 4.556 0.000 0.000 0.300 428 H C 1.975 177.186 175.328 -0.196 0.000 1.082 428 H CA 1.579 57.654 56.048 0.044 0.000 1.308 428 H CB -0.208 29.394 29.762 -0.267 0.000 1.375 428 H HN 0.394 nan 8.280 nan 0.000 0.495 429 F N -0.726 119.178 119.950 -0.077 0.000 2.367 429 F HA -0.035 4.492 4.527 0.001 0.000 0.298 429 F C 2.107 177.773 175.800 -0.223 0.000 1.094 429 F CA 0.315 58.047 58.000 -0.446 0.000 1.409 429 F CB -0.201 38.244 39.000 -0.925 0.000 1.064 429 F HN 0.094 nan 8.300 nan 0.000 0.528 430 F N -0.154 119.910 119.950 0.189 0.000 2.367 430 F HA -0.135 4.392 4.527 0.000 0.000 0.298 430 F C 2.682 178.520 175.800 0.062 0.000 1.094 430 F CA 1.157 59.271 58.000 0.192 0.000 1.409 430 F CB -0.486 38.719 39.000 0.341 0.000 1.064 430 F HN -0.049 nan 8.300 nan 0.000 0.528 431 S N -0.054 115.747 115.700 0.168 0.000 2.436 431 S HA -0.101 4.369 4.470 0.001 0.000 0.228 431 S C 1.932 176.511 174.600 -0.034 0.000 1.014 431 S CA 0.830 59.060 58.200 0.051 0.000 0.950 431 S CB -0.665 62.566 63.200 0.052 0.000 0.784 431 S HN 0.401 nan 8.310 nan 0.000 0.504 432 I N 1.057 121.545 120.570 -0.136 0.000 2.286 432 I HA -0.044 4.127 4.170 0.001 0.000 0.245 432 I C 2.274 178.346 176.117 -0.075 0.000 1.104 432 I CA 0.922 62.126 61.300 -0.160 0.000 1.397 432 I CB -0.260 37.558 38.000 -0.303 0.000 1.072 432 I HN 0.285 nan 8.210 nan 0.000 0.417 433 L N 0.118 121.303 121.223 -0.064 0.000 2.201 433 L HA -0.189 4.151 4.340 0.001 0.000 0.212 433 L C 2.428 179.310 176.870 0.020 0.000 1.105 433 L CA 1.108 55.931 54.840 -0.028 0.000 0.775 433 L CB -0.342 41.660 42.059 -0.095 0.000 0.913 433 L HN 0.289 nan 8.230 nan 0.000 0.440 434 L N -0.809 120.440 121.223 0.044 0.000 2.072 434 L HA -0.113 4.227 4.340 0.001 0.000 0.205 434 L C 2.780 179.664 176.870 0.024 0.000 1.079 434 L CA 1.005 55.877 54.840 0.053 0.000 0.752 434 L CB -0.479 41.617 42.059 0.062 0.000 0.906 434 L HN 0.205 nan 8.230 nan 0.000 0.436 435 A N -0.662 122.161 122.820 0.006 0.000 1.840 435 A HA -0.084 4.237 4.320 0.001 0.000 0.214 435 A C 1.192 178.775 177.584 -0.001 0.000 1.198 435 A CA 0.488 52.523 52.037 -0.003 0.000 0.608 435 A CB -0.454 18.537 19.000 -0.015 0.000 0.839 435 A HN 0.360 nan 8.150 nan 0.000 0.443 436 Q N -0.107 119.691 119.800 -0.004 0.000 2.479 436 Q HA 0.119 4.459 4.340 0.001 0.000 0.267 436 Q C -0.738 175.270 176.000 0.014 0.000 1.071 436 Q CA 0.379 56.185 55.803 0.004 0.000 0.935 436 Q CB 0.125 28.867 28.738 0.007 0.000 1.295 436 Q HN 0.524 nan 8.270 nan 0.000 0.476 437 E N 0.785 120.997 120.200 0.019 0.000 2.598 437 E HA 0.047 4.398 4.350 0.001 0.000 0.233 437 E C -0.507 176.114 176.600 0.034 0.000 1.173 437 E CA 0.032 56.448 56.400 0.026 0.000 1.473 437 E CB 0.396 30.108 29.700 0.021 0.000 1.398 437 E HN 0.363 nan 8.360 nan 0.000 0.431 438 Q N 0.348 120.170 119.800 0.038 0.000 2.155 438 Q HA 0.235 4.576 4.340 0.001 0.000 0.273 438 Q C 0.969 176.998 176.000 0.049 0.000 0.857 438 Q CA -0.067 55.764 55.803 0.046 0.000 1.116 438 Q CB 0.546 29.316 28.738 0.054 0.000 1.209 438 Q HN 0.406 nan 8.270 nan 0.000 0.460 439 L N -0.054 121.202 121.223 0.055 0.000 2.201 439 L HA -0.139 4.201 4.340 0.001 0.000 0.212 439 L C 1.522 178.438 176.870 0.076 0.000 1.105 439 L CA 1.267 56.150 54.840 0.071 0.000 0.775 439 L CB 0.194 42.325 42.059 0.120 0.000 0.913 439 L HN 0.245 nan 8.230 nan 0.000 0.440 440 E N -0.648 119.593 120.200 0.067 0.000 2.479 440 E HA -0.027 4.324 4.350 0.001 0.000 0.193 440 E C 0.138 176.772 176.600 0.057 0.000 1.049 440 E CA 0.036 56.474 56.400 0.062 0.000 0.870 440 E CB 0.358 30.090 29.700 0.054 0.000 0.944 440 E HN -0.091 nan 8.360 nan 0.000 0.492 441 K N 0.883 121.319 120.400 0.060 0.000 2.234 441 K HA 0.427 4.748 4.320 0.001 0.000 0.277 441 K C -0.786 175.854 176.600 0.067 0.000 1.038 441 K CA -0.623 55.702 56.287 0.064 0.000 0.888 441 K CB 0.754 33.297 32.500 0.072 0.000 1.091 441 K HN 0.028 nan 8.250 nan 0.000 0.467 442 A N 4.483 127.338 122.820 0.059 0.000 2.520 442 A HA 0.348 4.668 4.320 0.001 0.000 0.235 442 A C -0.588 177.028 177.584 0.053 0.000 1.065 442 A CA 0.128 52.195 52.037 0.050 0.000 0.764 442 A CB -0.058 18.970 19.000 0.046 0.000 1.002 442 A HN 0.698 nan 8.150 nan 0.000 0.502 443 L N 1.511 122.748 121.223 0.022 0.000 2.386 443 L HA 0.342 4.683 4.340 0.001 0.000 0.271 443 L C -0.828 176.021 176.870 -0.034 0.000 0.993 443 L CA -0.924 53.915 54.840 -0.002 0.000 0.819 443 L CB 2.060 44.096 42.059 -0.037 0.000 1.294 443 L HN 0.592 nan 8.230 nan 0.000 0.414 444 D N 1.217 121.601 120.400 -0.026 0.000 2.424 444 D HA 0.235 4.876 4.640 0.001 0.000 0.244 444 D C -0.624 175.612 176.300 -0.107 0.000 1.134 444 D CA 0.295 54.278 54.000 -0.028 0.000 0.881 444 D CB 1.251 42.047 40.800 -0.007 0.000 1.191 444 D HN 0.421 nan 8.370 nan 0.000 0.445 445 C N 3.882 123.138 119.300 -0.073 0.000 2.833 445 C HA 0.175 4.635 4.460 0.001 0.000 0.383 445 C C -1.089 173.884 174.990 -0.028 0.000 1.058 445 C CA -0.695 58.245 59.018 -0.131 0.000 1.259 445 C CB 0.620 28.235 27.740 -0.208 0.000 1.726 445 C HN 0.463 nan 8.230 nan 0.000 0.484 446 Q N 4.789 124.545 119.800 -0.074 0.000 2.295 446 Q HA 0.650 4.991 4.340 0.001 0.000 0.259 446 Q C -0.404 175.560 176.000 -0.061 0.000 0.976 446 Q CA 0.368 56.152 55.803 -0.032 0.000 0.923 446 Q CB 1.225 29.921 28.738 -0.069 0.000 1.185 446 Q HN 0.836 nan 8.270 nan 0.000 0.410 447 I N -1.247 119.328 120.570 0.008 0.000 2.841 447 I HA 0.255 4.425 4.170 0.001 0.000 0.298 447 I C -0.740 175.346 176.117 -0.051 0.000 1.304 447 I CA -1.328 59.862 61.300 -0.185 0.000 1.019 447 I CB 1.300 39.080 38.000 -0.368 0.000 1.282 447 I HN 0.578 nan 8.210 nan 0.000 0.432 448 Y N 3.864 124.209 120.300 0.075 0.000 3.225 448 Y HA -0.223 4.328 4.550 0.001 0.000 0.211 448 Y C 1.577 177.503 175.900 0.043 0.000 1.223 448 Y CA 1.133 59.273 58.100 0.067 0.000 1.284 448 Y CB -1.703 36.799 38.460 0.070 0.000 1.367 448 Y HN 1.288 nan 8.280 nan 0.000 0.566 449 G N -1.860 106.995 108.800 0.091 0.000 2.527 449 G HA2 -0.134 3.826 3.960 0.001 0.000 0.218 449 G HA3 -0.134 3.826 3.960 0.001 0.000 0.218 449 G C 0.376 175.284 174.900 0.013 0.000 1.177 449 G CA -0.220 44.900 45.100 0.035 0.000 0.695 449 G HN 1.396 nan 8.290 nan 0.000 0.517 450 A N -0.521 122.312 122.820 0.022 0.000 2.264 450 A HA 0.654 4.975 4.320 0.001 0.000 0.304 450 A C 0.475 177.972 177.584 -0.145 0.000 1.100 450 A CA 0.504 52.471 52.037 -0.117 0.000 0.839 450 A CB 1.215 20.040 19.000 -0.292 0.000 1.121 450 A HN 1.634 nan 8.150 nan 0.000 0.496 451 C N 1.798 120.978 119.300 -0.200 0.000 2.239 451 C HA 0.685 5.145 4.460 0.001 0.000 0.325 451 C C -0.926 173.926 174.990 -0.231 0.000 1.231 451 C CA -0.706 58.247 59.018 -0.109 0.000 1.652 451 C CB -2.124 25.636 27.740 0.032 0.000 2.284 451 C HN 0.598 nan 8.230 nan 0.000 0.499 452 Y N 3.069 123.356 120.300 -0.022 0.000 2.352 452 Y HA 0.412 4.962 4.550 0.000 0.000 0.326 452 Y C 0.867 176.750 175.900 -0.029 0.000 1.166 452 Y CA -0.036 58.049 58.100 -0.025 0.000 1.182 452 Y CB 1.352 39.788 38.460 -0.040 0.000 1.216 452 Y HN 0.580 nan 8.280 nan 0.000 0.474 453 S N 3.877 119.656 115.700 0.130 0.000 2.474 453 S HA 0.519 4.990 4.470 0.001 0.000 0.320 453 S C -0.868 173.774 174.600 0.069 0.000 1.067 453 S CA -0.516 57.728 58.200 0.074 0.000 1.127 453 S CB -0.786 62.444 63.200 0.050 0.000 0.971 453 S HN 0.541 nan 8.310 nan 0.000 0.472 454 I N 4.517 125.106 120.570 0.031 0.000 2.330 454 I HA 0.303 4.474 4.170 0.001 0.000 0.289 454 I C 0.277 176.397 176.117 0.005 0.000 1.001 454 I CA -0.484 60.818 61.300 0.003 0.000 1.193 454 I CB 1.294 39.255 38.000 -0.064 0.000 1.345 454 I HN 0.501 nan 8.210 nan 0.000 0.461 455 E N 8.129 128.346 120.200 0.028 0.000 2.180 455 E HA 0.120 4.470 4.350 0.001 0.000 0.283 455 E C -1.701 174.935 176.600 0.060 0.000 1.061 455 E CA -1.509 54.918 56.400 0.045 0.000 0.861 455 E CB 1.098 30.830 29.700 0.053 0.000 1.056 455 E HN 0.359 nan 8.360 nan 0.000 0.407 456 P HA -0.165 nan 4.420 nan 0.000 0.218 456 P C 1.055 178.502 177.300 0.244 0.000 1.146 456 P CA 1.049 64.211 63.100 0.103 0.000 0.813 456 P CB 0.227 31.914 31.700 -0.022 0.000 0.778 457 L N -1.074 120.266 121.223 0.195 0.000 2.478 457 L HA -0.040 4.300 4.340 0.001 0.000 0.223 457 L C 1.205 178.162 176.870 0.144 0.000 1.140 457 L CA 0.943 55.907 54.840 0.207 0.000 0.842 457 L CB -0.564 41.586 42.059 0.152 0.000 0.953 457 L HN -0.038 nan 8.230 nan 0.000 0.452 458 D N -0.055 120.414 120.400 0.115 0.000 2.340 458 D HA 0.005 4.646 4.640 0.001 0.000 0.220 458 D C 2.225 178.577 176.300 0.086 0.000 1.039 458 D CA 0.337 54.382 54.000 0.075 0.000 0.866 458 D CB 0.421 41.251 40.800 0.049 0.000 0.913 458 D HN 0.302 nan 8.370 nan 0.000 0.523 459 L N 0.958 122.270 121.223 0.148 0.000 2.046 459 L HA -0.127 4.214 4.340 0.001 0.000 0.208 459 L C -0.479 176.484 176.870 0.155 0.000 1.077 459 L CA 1.388 56.328 54.840 0.165 0.000 0.747 459 L CB -1.373 40.857 42.059 0.284 0.000 0.896 459 L HN 0.026 nan 8.230 nan 0.000 0.432 460 P HA -0.204 nan 4.420 nan 0.000 0.215 460 P C 1.349 178.706 177.300 0.095 0.000 1.157 460 P CA 1.332 64.462 63.100 0.049 0.000 0.874 460 P CB 0.062 31.656 31.700 -0.177 0.000 0.790 461 Q N -1.003 118.810 119.800 0.022 0.000 2.119 461 Q HA -0.054 4.287 4.340 0.001 0.000 0.201 461 Q C 2.174 178.193 176.000 0.031 0.000 0.972 461 Q CA 1.134 56.942 55.803 0.009 0.000 0.847 461 Q CB -0.918 27.815 28.738 -0.009 0.000 0.903 461 Q HN 0.255 nan 8.270 nan 0.000 0.433 462 I N -0.255 120.338 120.570 0.039 0.000 2.179 462 I HA -0.275 3.896 4.170 0.001 0.000 0.242 462 I C 1.842 177.977 176.117 0.029 0.000 1.088 462 I CA 1.162 62.470 61.300 0.013 0.000 1.357 462 I CB -0.207 37.790 38.000 -0.005 0.000 1.051 462 I HN 0.179 nan 8.210 nan 0.000 0.409 463 I N 0.379 121.010 120.570 0.101 0.000 2.252 463 I HA -0.270 3.901 4.170 0.001 0.000 0.245 463 I C 2.630 178.748 176.117 0.003 0.000 1.102 463 I CA 1.336 62.695 61.300 0.097 0.000 1.385 463 I CB -0.341 37.727 38.000 0.113 0.000 1.064 463 I HN 0.281 nan 8.210 nan 0.000 0.414 464 E N 1.399 121.629 120.200 0.051 0.000 2.051 464 E HA -0.296 4.054 4.350 0.001 0.000 0.192 464 E C 2.417 179.006 176.600 -0.019 0.000 0.991 464 E CA 1.279 57.690 56.400 0.018 0.000 0.799 464 E CB -0.078 29.681 29.700 0.098 0.000 0.748 464 E HN 0.295 nan 8.360 nan 0.000 0.449 465 R N -0.043 120.445 120.500 -0.020 0.000 2.081 465 R HA -0.152 4.188 4.340 0.001 0.000 0.235 465 R C 2.451 178.694 176.300 -0.095 0.000 1.131 465 R CA 1.353 57.426 56.100 -0.046 0.000 0.960 465 R CB -0.171 30.104 30.300 -0.042 0.000 0.856 465 R HN 0.287 nan 8.270 nan 0.000 0.436 466 L N -0.581 120.556 121.223 -0.143 0.000 2.162 466 L HA -0.034 4.306 4.340 0.001 0.000 0.205 466 L C 1.576 178.182 176.870 -0.439 0.000 1.086 466 L CA 1.696 56.352 54.840 -0.306 0.000 0.778 466 L CB -0.051 41.771 42.059 -0.394 0.000 0.928 466 L HN 0.237 nan 8.230 nan 0.000 0.446 467 H N -1.345 117.662 119.070 -0.104 0.000 3.017 467 H HA 0.491 5.047 4.556 0.001 0.000 0.255 467 H C 0.925 176.177 175.328 -0.127 0.000 0.990 467 H CA 0.617 56.592 56.048 -0.121 0.000 1.205 467 H CB 0.577 30.235 29.762 -0.175 0.000 1.460 467 H HN 0.264 nan 8.280 nan 0.000 0.478 468 G N 0.682 109.460 108.800 -0.036 0.000 2.663 468 G HA2 -0.198 3.762 3.960 0.001 0.000 0.686 468 G HA3 -0.198 3.762 3.960 0.001 0.000 0.686 468 G C 0.566 175.396 174.900 -0.117 0.000 1.288 468 G CA -0.207 44.864 45.100 -0.048 0.000 0.836 468 G HN 0.183 nan 8.290 nan 0.000 0.584 469 L N 0.550 121.756 121.223 -0.028 0.000 2.265 469 L HA -0.082 4.259 4.340 0.001 0.000 0.215 469 L C 2.983 179.848 176.870 -0.009 0.000 1.117 469 L CA 1.729 56.600 54.840 0.052 0.000 0.782 469 L CB -0.401 41.755 42.059 0.162 0.000 0.914 469 L HN 0.612 nan 8.230 nan 0.000 0.441 470 S N 0.085 115.755 115.700 -0.051 0.000 2.419 470 S HA -0.190 4.280 4.470 0.001 0.000 0.235 470 S C 2.203 176.719 174.600 -0.141 0.000 1.019 470 S CA 1.090 59.257 58.200 -0.055 0.000 0.982 470 S CB -0.249 62.920 63.200 -0.050 0.000 0.789 470 S HN 0.547 nan 8.310 nan 0.000 0.490 471 A N 0.530 123.164 122.820 -0.310 0.000 2.070 471 A HA 0.017 4.337 4.320 0.001 0.000 0.220 471 A C 1.553 178.922 177.584 -0.357 0.000 1.159 471 A CA 0.991 52.762 52.037 -0.442 0.000 0.656 471 A CB -0.706 17.924 19.000 -0.617 0.000 0.800 471 A HN 0.596 nan 8.150 nan 0.000 0.453 472 F N -0.250 119.713 119.950 0.021 0.000 2.765 472 F HA 0.064 4.591 4.527 0.001 0.000 0.302 472 F C 1.934 177.773 175.800 0.066 0.000 1.111 472 F CA 0.499 58.538 58.000 0.066 0.000 1.359 472 F CB 0.433 39.519 39.000 0.143 0.000 1.097 472 F HN 0.310 nan 8.300 nan 0.000 0.577 473 S N -0.961 114.828 115.700 0.149 0.000 2.733 473 S HA 0.287 4.757 4.470 0.001 0.000 0.247 473 S C 0.133 174.775 174.600 0.071 0.000 1.043 473 S CA -0.410 57.851 58.200 0.101 0.000 1.066 473 S CB -0.434 62.815 63.200 0.081 0.000 1.045 473 S HN 0.064 nan 8.310 nan 0.000 0.586 474 L N 4.286 125.503 121.223 -0.010 0.000 2.485 474 L HA 0.359 4.699 4.340 0.001 0.000 0.275 474 L C 0.745 177.564 176.870 -0.085 0.000 1.207 474 L CA 0.135 54.893 54.840 -0.137 0.000 0.855 474 L CB 0.095 41.904 42.059 -0.416 0.000 1.114 474 L HN 0.598 nan 8.230 nan 0.000 0.485 475 H N -0.301 118.526 119.070 -0.405 0.000 2.918 475 H HA 0.241 4.797 4.556 0.000 0.000 0.303 475 H C -0.307 174.812 175.328 -0.348 0.000 1.380 475 H CA -1.146 54.721 56.048 -0.302 0.000 1.134 475 H CB 1.225 30.956 29.762 -0.051 0.000 1.842 475 H HN 0.450 nan 8.280 nan 0.000 0.533 476 S N -0.299 115.252 115.700 -0.249 0.000 3.697 476 S HA -0.199 4.271 4.470 0.001 0.000 0.388 476 S C -0.428 173.994 174.600 -0.297 0.000 0.941 476 S CA 0.498 58.566 58.200 -0.221 0.000 1.247 476 S CB -2.539 60.532 63.200 -0.216 0.000 0.904 476 S HN 0.496 nan 8.310 nan 0.000 0.518 477 Y N 1.774 122.000 120.300 -0.123 0.000 2.385 477 Y HA 0.309 4.859 4.550 0.001 0.000 0.346 477 Y C 1.400 177.264 175.900 -0.061 0.000 1.270 477 Y CA 0.424 58.473 58.100 -0.085 0.000 1.472 477 Y CB 0.397 38.834 38.460 -0.038 0.000 1.354 477 Y HN 0.495 nan 8.280 nan 0.000 0.611 478 S N 1.690 117.479 115.700 0.149 0.000 2.601 478 S HA 0.188 4.659 4.470 0.001 0.000 0.271 478 S C -1.891 172.745 174.600 0.060 0.000 1.305 478 S CA -1.236 56.996 58.200 0.053 0.000 1.022 478 S CB 1.306 64.524 63.200 0.030 0.000 0.940 478 S HN 0.450 nan 8.310 nan 0.000 0.525 479 P HA -0.054 nan 4.420 nan 0.000 0.216 479 P C 1.613 178.929 177.300 0.026 0.000 1.153 479 P CA 1.911 65.030 63.100 0.032 0.000 0.858 479 P CB -0.614 31.101 31.700 0.025 0.000 0.789 480 G N -0.223 108.589 108.800 0.019 0.000 2.421 480 G HA2 -0.233 3.727 3.960 0.001 0.000 0.217 480 G HA3 -0.233 3.727 3.960 0.001 0.000 0.217 480 G C 1.668 176.572 174.900 0.008 0.000 1.143 480 G CA 0.722 45.826 45.100 0.007 0.000 0.784 480 G HN 0.293 nan 8.290 nan 0.000 0.541 481 E N 0.780 120.997 120.200 0.029 0.000 2.046 481 E HA -0.021 4.330 4.350 0.001 0.000 0.190 481 E C 2.373 178.983 176.600 0.017 0.000 0.982 481 E CA 0.670 57.094 56.400 0.039 0.000 0.800 481 E CB -0.423 29.341 29.700 0.107 0.000 0.756 481 E HN 0.433 nan 8.360 nan 0.000 0.449 482 I N 1.291 121.876 120.570 0.025 0.000 2.208 482 I HA -0.312 3.859 4.170 0.001 0.000 0.245 482 I C 2.587 178.702 176.117 -0.003 0.000 1.097 482 I CA 1.403 62.706 61.300 0.005 0.000 1.363 482 I CB -0.501 37.518 38.000 0.031 0.000 1.051 482 I HN 0.289 nan 8.210 nan 0.000 0.413 483 N N 1.107 119.808 118.700 0.001 0.000 2.120 483 N HA -0.239 4.502 4.740 0.001 0.000 0.188 483 N C 2.096 177.592 175.510 -0.023 0.000 1.024 483 N CA 1.475 54.521 53.050 -0.007 0.000 0.852 483 N CB -0.041 38.444 38.487 -0.003 0.000 1.003 483 N HN 0.308 nan 8.380 nan 0.000 0.424 484 R N 0.547 121.028 120.500 -0.032 0.000 2.075 484 R HA -0.057 4.283 4.340 0.001 0.000 0.232 484 R C 2.227 178.477 176.300 -0.083 0.000 1.126 484 R CA 1.139 57.203 56.100 -0.059 0.000 0.963 484 R CB -0.193 30.065 30.300 -0.069 0.000 0.858 484 R HN 0.006 nan 8.270 nan 0.000 0.435 485 V N 1.235 121.105 119.914 -0.075 0.000 2.233 485 V HA -0.266 3.855 4.120 0.001 0.000 0.247 485 V C 2.524 178.580 176.094 -0.064 0.000 1.050 485 V CA 2.085 64.332 62.300 -0.088 0.000 1.010 485 V CB -0.946 30.851 31.823 -0.042 0.000 0.637 485 V HN 0.593 nan 8.190 nan 0.000 0.444 486 A N -0.364 122.436 122.820 -0.034 0.000 1.917 486 A HA -0.285 4.035 4.320 0.001 0.000 0.219 486 A C 2.578 180.145 177.584 -0.027 0.000 1.182 486 A CA 2.597 54.624 52.037 -0.017 0.000 0.633 486 A CB -0.859 18.140 19.000 -0.002 0.000 0.819 486 A HN 0.568 nan 8.150 nan 0.000 0.448 487 S N -1.473 114.205 115.700 -0.036 0.000 2.406 487 S HA -0.174 4.296 4.470 0.001 0.000 0.228 487 S C 2.041 176.609 174.600 -0.054 0.000 1.020 487 S CA 1.436 59.614 58.200 -0.037 0.000 0.965 487 S CB -0.992 62.189 63.200 -0.033 0.000 0.798 487 S HN 0.758 nan 8.310 nan 0.000 0.488 488 C N 1.391 120.645 119.300 -0.076 0.000 2.429 488 C HA 0.097 4.557 4.460 0.001 0.000 0.277 488 C C 2.519 177.451 174.990 -0.097 0.000 1.262 488 C CA 0.823 59.782 59.018 -0.099 0.000 1.733 488 C CB -1.707 25.943 27.740 -0.149 0.000 2.010 488 C HN 0.697 nan 8.230 nan 0.000 0.483 489 L N 0.269 121.446 121.223 -0.076 0.000 2.046 489 L HA -0.108 4.233 4.340 0.001 0.000 0.208 489 L C 3.027 179.843 176.870 -0.091 0.000 1.077 489 L CA 1.673 56.479 54.840 -0.057 0.000 0.747 489 L CB -0.953 41.112 42.059 0.010 0.000 0.896 489 L HN 0.338 nan 8.230 nan 0.000 0.432 490 R N 0.495 120.953 120.500 -0.070 0.000 2.083 490 R HA -0.215 4.126 4.340 0.001 0.000 0.237 490 R C 2.403 178.623 176.300 -0.133 0.000 1.137 490 R CA 1.710 57.764 56.100 -0.076 0.000 0.951 490 R CB -0.305 29.978 30.300 -0.029 0.000 0.851 490 R HN 0.269 nan 8.270 nan 0.000 0.434 491 K N 0.819 121.158 120.400 -0.101 0.000 2.044 491 K HA -0.143 4.177 4.320 0.001 0.000 0.210 491 K C 1.730 178.203 176.600 -0.210 0.000 1.049 491 K CA 1.350 57.586 56.287 -0.085 0.000 0.927 491 K CB 0.005 32.476 32.500 -0.047 0.000 0.713 491 K HN 0.168 nan 8.250 nan 0.000 0.443 492 L N -0.236 120.824 121.223 -0.272 0.000 2.592 492 L HA 0.130 4.470 4.340 0.001 0.000 0.227 492 L C 0.917 177.420 176.870 -0.611 0.000 1.127 492 L CA 0.547 55.209 54.840 -0.297 0.000 0.884 492 L CB -0.091 41.891 42.059 -0.128 0.000 1.065 492 L HN 0.586 nan 8.230 nan 0.000 0.457 493 G N 1.809 110.083 108.800 -0.876 0.000 2.273 493 G HA2 -0.263 3.697 3.960 0.001 0.000 0.280 493 G HA3 -0.263 3.697 3.960 0.001 0.000 0.280 493 G C 0.177 174.965 174.900 -0.186 0.000 1.047 493 G CA 0.597 45.333 45.100 -0.606 0.000 0.869 493 G HN 0.296 nan 8.290 nan 0.000 0.502 494 V N -1.116 118.736 119.914 -0.103 0.000 2.644 494 V HA 0.809 4.929 4.120 0.001 0.000 0.295 494 V C -1.642 174.519 176.094 0.112 0.000 1.053 494 V CA -2.254 60.080 62.300 0.056 0.000 0.987 494 V CB 1.434 33.325 31.823 0.113 0.000 1.006 494 V HN 0.089 nan 8.190 nan 0.000 0.472 495 P HA 0.201 nan 4.420 nan 0.000 0.265 495 P C -2.565 174.816 177.300 0.135 0.000 1.187 495 P CA -0.630 62.463 63.100 -0.012 0.000 0.766 495 P CB -0.236 31.238 31.700 -0.378 0.000 0.820 496 P HA 0.033 nan 4.420 nan 0.000 0.271 496 P C 0.836 178.254 177.300 0.197 0.000 1.244 496 P CA 0.006 63.166 63.100 0.101 0.000 0.793 496 P CB 0.786 32.500 31.700 0.023 0.000 0.984 497 L N 0.271 121.621 121.223 0.210 0.000 2.191 497 L HA -0.172 4.169 4.340 0.001 0.000 0.212 497 L C 2.889 179.870 176.870 0.186 0.000 1.103 497 L CA 1.444 56.445 54.840 0.268 0.000 0.769 497 L CB -0.785 41.357 42.059 0.138 0.000 0.908 497 L HN 0.488 nan 8.230 nan 0.000 0.438 498 R N 0.029 120.556 120.500 0.045 0.000 2.092 498 R HA -0.102 4.238 4.340 0.001 0.000 0.231 498 R C 1.938 178.089 176.300 -0.247 0.000 1.119 498 R CA 1.484 57.530 56.100 -0.090 0.000 0.970 498 R CB -0.880 29.346 30.300 -0.123 0.000 0.864 498 R HN 0.174 nan 8.270 nan 0.000 0.440 499 V N 0.632 120.422 119.914 -0.207 0.000 2.358 499 V HA -0.187 3.934 4.120 0.001 0.000 0.246 499 V C 2.025 177.968 176.094 -0.252 0.000 1.047 499 V CA 1.867 63.988 62.300 -0.299 0.000 1.035 499 V CB -0.723 30.862 31.823 -0.398 0.000 0.658 499 V HN 0.375 nan 8.190 nan 0.000 0.452 500 W N 0.136 121.467 121.300 0.052 0.000 2.338 500 W HA -0.165 4.496 4.660 0.001 0.000 0.304 500 W C 2.769 179.445 176.519 0.261 0.000 1.212 500 W CA 1.635 59.072 57.345 0.154 0.000 1.264 500 W CB -0.306 29.249 29.460 0.158 0.000 1.142 500 W HN 0.047 nan 8.180 nan 0.000 0.512 501 R N -0.543 120.220 120.500 0.438 0.000 2.081 501 R HA -0.180 4.160 4.340 0.001 0.000 0.235 501 R C 2.008 178.487 176.300 0.297 0.000 1.131 501 R CA 1.749 58.105 56.100 0.427 0.000 0.960 501 R CB -0.473 30.050 30.300 0.372 0.000 0.856 501 R HN 0.213 nan 8.270 nan 0.000 0.436 502 H N 0.029 119.149 119.070 0.084 0.000 2.357 502 H HA 0.001 4.557 4.556 0.000 0.000 0.301 502 H C 2.088 177.405 175.328 -0.018 0.000 1.082 502 H CA 1.296 57.347 56.048 0.006 0.000 1.342 502 H CB -0.136 29.614 29.762 -0.019 0.000 1.389 502 H HN 0.180 nan 8.280 nan 0.000 0.511 503 R N 0.189 120.763 120.500 0.124 0.000 2.105 503 R HA -0.078 4.262 4.340 0.001 0.000 0.239 503 R C 2.413 178.738 176.300 0.042 0.000 1.135 503 R CA 1.115 57.255 56.100 0.068 0.000 0.967 503 R CB -0.195 30.149 30.300 0.073 0.000 0.861 503 R HN 0.278 nan 8.270 nan 0.000 0.442 504 A N 1.028 123.902 122.820 0.090 0.000 1.873 504 A HA -0.155 4.166 4.320 0.001 0.000 0.215 504 A C 2.073 179.480 177.584 -0.296 0.000 1.186 504 A CA 1.137 53.110 52.037 -0.107 0.000 0.616 504 A CB -0.348 18.629 19.000 -0.038 0.000 0.823 504 A HN 0.182 nan 8.150 nan 0.000 0.442 505 R N -0.498 119.891 120.500 -0.185 0.000 2.119 505 R HA -0.155 4.185 4.340 0.001 0.000 0.246 505 R C 2.675 178.868 176.300 -0.179 0.000 1.146 505 R CA 1.733 57.724 56.100 -0.182 0.000 0.962 505 R CB -0.382 29.849 30.300 -0.114 0.000 0.863 505 R HN 0.580 nan 8.270 nan 0.000 0.442 506 S N -0.216 115.401 115.700 -0.139 0.000 2.338 506 S HA -0.104 4.366 4.470 0.001 0.000 0.218 506 S C 2.011 176.510 174.600 -0.169 0.000 1.032 506 S CA 1.358 59.484 58.200 -0.124 0.000 0.999 506 S CB -0.264 62.889 63.200 -0.080 0.000 0.905 506 S HN 0.135 nan 8.310 nan 0.000 0.439 507 V N 2.807 122.588 119.914 -0.221 0.000 2.250 507 V HA -0.248 3.872 4.120 0.001 0.000 0.250 507 V C 2.758 178.620 176.094 -0.386 0.000 1.060 507 V CA 2.516 64.635 62.300 -0.302 0.000 1.030 507 V CB -0.868 30.695 31.823 -0.433 0.000 0.643 507 V HN 0.510 nan 8.190 nan 0.000 0.445 508 R N -0.194 119.987 120.500 -0.531 0.000 2.103 508 R HA -0.231 4.109 4.340 0.001 0.000 0.242 508 R C 2.299 178.479 176.300 -0.200 0.000 1.142 508 R CA 1.890 57.762 56.100 -0.380 0.000 0.960 508 R CB -0.479 29.619 30.300 -0.336 0.000 0.858 508 R HN 0.532 nan 8.270 nan 0.000 0.439 509 A N 0.538 123.255 122.820 -0.172 0.000 1.877 509 A HA -0.193 4.127 4.320 0.001 0.000 0.216 509 A C 2.505 180.036 177.584 -0.087 0.000 1.186 509 A CA 2.157 54.125 52.037 -0.114 0.000 0.620 509 A CB -0.886 18.053 19.000 -0.102 0.000 0.822 509 A HN 0.554 nan 8.150 nan 0.000 0.443 510 R N -0.318 120.129 120.500 -0.089 0.000 2.148 510 R HA 0.259 4.599 4.340 0.001 0.000 0.223 510 R C 2.030 178.312 176.300 -0.031 0.000 1.088 510 R CA 1.394 57.463 56.100 -0.052 0.000 0.985 510 R CB -1.286 28.988 30.300 -0.045 0.000 0.880 510 R HN 0.587 nan 8.270 nan 0.000 0.451 511 L N -0.155 121.040 121.223 -0.046 0.000 2.068 511 L HA 0.034 4.375 4.340 0.001 0.000 0.204 511 L C 2.664 179.529 176.870 -0.008 0.000 1.076 511 L CA 0.870 55.706 54.840 -0.006 0.000 0.753 511 L CB -0.377 41.673 42.059 -0.015 0.000 0.910 511 L HN 0.245 nan 8.230 nan 0.000 0.439 512 L N -0.131 121.070 121.223 -0.036 0.000 2.081 512 L HA -0.247 4.093 4.340 0.001 0.000 0.212 512 L C 2.789 179.647 176.870 -0.019 0.000 1.080 512 L CA 1.820 56.641 54.840 -0.031 0.000 0.754 512 L CB -0.616 41.411 42.059 -0.052 0.000 0.893 512 L HN 0.434 nan 8.230 nan 0.000 0.433 513 S N -1.606 114.081 115.700 -0.022 0.000 2.461 513 S HA -0.190 4.280 4.470 0.001 0.000 0.228 513 S C 1.799 176.397 174.600 -0.002 0.000 1.005 513 S CA 0.497 58.688 58.200 -0.016 0.000 0.942 513 S CB -0.126 63.061 63.200 -0.022 0.000 0.776 513 S HN 0.398 nan 8.310 nan 0.000 0.514 514 Q N 0.829 120.634 119.800 0.008 0.000 2.378 514 Q HA 0.269 4.609 4.340 0.001 0.000 0.205 514 Q C 1.613 177.627 176.000 0.024 0.000 0.954 514 Q CA 0.823 56.638 55.803 0.021 0.000 0.901 514 Q CB -0.097 28.663 28.738 0.037 0.000 0.981 514 Q HN 0.792 nan 8.270 nan 0.000 0.483 515 G N -1.681 107.131 108.800 0.019 0.000 3.047 515 G HA2 -0.257 3.703 3.960 0.001 0.000 0.203 515 G HA3 -0.257 3.703 3.960 0.001 0.000 0.203 515 G C 0.596 175.510 174.900 0.024 0.000 1.444 515 G CA -0.072 45.039 45.100 0.017 0.000 1.020 515 G HN 0.511 nan 8.290 nan 0.000 0.563 516 G N -0.460 108.360 108.800 0.034 0.000 2.529 516 G HA2 0.394 4.355 3.960 0.001 0.000 0.220 516 G HA3 0.394 4.355 3.960 0.001 0.000 0.220 516 G C 1.340 176.268 174.900 0.047 0.000 1.976 516 G CA 0.917 46.039 45.100 0.037 0.000 0.789 516 G HN 0.412 nan 8.290 nan 0.000 0.695 517 R N 0.604 121.137 120.500 0.055 0.000 2.153 517 R HA 0.132 4.472 4.340 0.001 0.000 0.218 517 R C 2.756 179.109 176.300 0.089 0.000 1.072 517 R CA 0.973 57.114 56.100 0.067 0.000 0.990 517 R CB -0.320 30.021 30.300 0.069 0.000 0.889 517 R HN 0.338 nan 8.270 nan 0.000 0.452 518 A N 1.492 124.368 122.820 0.093 0.000 1.898 518 A HA -0.050 4.270 4.320 0.001 0.000 0.216 518 A C 2.380 180.012 177.584 0.080 0.000 1.181 518 A CA 1.560 53.666 52.037 0.116 0.000 0.620 518 A CB -0.442 18.625 19.000 0.112 0.000 0.819 518 A HN 0.325 nan 8.150 nan 0.000 0.442 519 A N -1.139 121.713 122.820 0.054 0.000 1.972 519 A HA -0.089 4.231 4.320 0.001 0.000 0.219 519 A C 2.264 179.873 177.584 0.042 0.000 1.169 519 A CA 2.246 54.301 52.037 0.030 0.000 0.635 519 A CB -1.182 17.829 19.000 0.017 0.000 0.810 519 A HN 0.411 nan 8.150 nan 0.000 0.446 520 T N -1.010 113.588 114.554 0.074 0.000 2.788 520 T HA -0.174 4.176 4.350 0.001 0.000 0.268 520 T C 1.881 176.661 174.700 0.134 0.000 1.044 520 T CA 1.524 63.704 62.100 0.134 0.000 1.139 520 T CB -0.609 68.325 68.868 0.110 0.000 0.867 520 T HN 0.589 nan 8.240 nan 0.000 0.454 521 C N 1.171 120.511 119.300 0.067 0.000 2.413 521 C HA -0.023 4.437 4.460 0.001 0.000 0.276 521 C C 3.037 178.033 174.990 0.011 0.000 1.248 521 C CA 0.732 59.749 59.018 -0.002 0.000 1.742 521 C CB -1.449 26.285 27.740 -0.010 0.000 2.017 521 C HN 0.734 nan 8.230 nan 0.000 0.481 522 G N -0.310 108.515 108.800 0.042 0.000 2.402 522 G HA2 -0.241 3.719 3.960 0.001 0.000 0.216 522 G HA3 -0.241 3.719 3.960 0.001 0.000 0.216 522 G C 1.645 176.549 174.900 0.007 0.000 1.162 522 G CA 1.022 46.159 45.100 0.062 0.000 0.777 522 G HN 0.624 nan 8.290 nan 0.000 0.539 523 K N -0.806 119.549 120.400 -0.076 0.000 2.002 523 K HA -0.103 4.217 4.320 0.001 0.000 0.209 523 K C 2.231 178.620 176.600 -0.352 0.000 1.048 523 K CA 1.391 57.538 56.287 -0.233 0.000 0.930 523 K CB -0.275 32.032 32.500 -0.320 0.000 0.714 523 K HN 0.435 nan 8.250 nan 0.000 0.438 524 Y N 0.567 120.696 120.300 -0.285 0.000 2.201 524 Y HA -0.019 4.531 4.550 0.001 0.000 0.292 524 Y C 2.061 177.621 175.900 -0.566 0.000 1.119 524 Y CA 0.802 58.544 58.100 -0.596 0.000 1.127 524 Y CB -0.028 37.853 38.460 -0.964 0.000 1.019 524 Y HN -0.044 nan 8.280 nan 0.000 0.514 525 L N -1.636 119.413 121.223 -0.291 0.000 2.201 525 L HA -0.148 4.192 4.340 0.001 0.000 0.212 525 L C 0.701 177.292 176.870 -0.465 0.000 1.105 525 L CA 1.455 56.079 54.840 -0.361 0.000 0.775 525 L CB -0.359 41.318 42.059 -0.637 0.000 0.913 525 L HN 0.232 nan 8.230 nan 0.000 0.440 526 F N -1.912 117.977 119.950 -0.102 0.000 2.775 526 F HA 0.183 4.710 4.527 0.001 0.000 0.313 526 F C 1.786 177.304 175.800 -0.470 0.000 1.121 526 F CA -0.303 57.468 58.000 -0.381 0.000 1.206 526 F CB -0.386 38.373 39.000 -0.401 0.000 1.052 526 F HN -0.008 nan 8.300 nan 0.000 0.524 527 N N 1.672 120.312 118.700 -0.100 0.000 2.137 527 N HA -0.217 4.523 4.740 0.001 0.000 0.190 527 N C 2.013 177.501 175.510 -0.037 0.000 1.017 527 N CA 2.167 55.166 53.050 -0.085 0.000 0.859 527 N CB -0.173 38.286 38.487 -0.047 0.000 1.002 527 N HN 0.627 nan 8.380 nan 0.000 0.428 528 W N 0.621 121.956 121.300 0.059 0.000 2.342 528 W HA -0.066 4.594 4.660 0.000 0.000 0.297 528 W C 1.724 178.302 176.519 0.097 0.000 1.213 528 W CA 0.823 58.212 57.345 0.074 0.000 1.251 528 W CB -0.944 28.573 29.460 0.094 0.000 1.136 528 W HN -0.001 nan 8.180 nan 0.000 0.526 529 A N 0.966 123.411 122.820 -0.624 0.000 2.066 529 A HA 0.172 4.492 4.320 0.001 0.000 0.218 529 A C 0.995 178.465 177.584 -0.189 0.000 1.157 529 A CA 0.969 52.648 52.037 -0.597 0.000 0.670 529 A CB -0.535 17.843 19.000 -1.036 0.000 0.804 529 A HN 0.048 nan 8.150 nan 0.000 0.453 530 V N 2.121 121.944 119.914 -0.152 0.000 2.350 530 V HA 0.252 4.372 4.120 0.001 0.000 0.285 530 V C -0.536 175.531 176.094 -0.044 0.000 1.014 530 V CA -0.949 61.295 62.300 -0.093 0.000 0.831 530 V CB 1.302 33.052 31.823 -0.122 0.000 1.000 530 V HN 0.566 nan 8.190 nan 0.000 0.433 531 K N 0.000 120.391 120.400 -0.016 0.000 2.780 531 K HA 0.000 4.320 4.320 0.001 0.000 0.191 531 K CA 0.000 56.282 56.287 -0.008 0.000 0.838 531 K CB 0.000 32.507 32.500 0.011 0.000 1.064 531 K HN 0.000 nan 8.250 nan 0.000 0.543