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 1m01_1_A DATA FIRST_RESID 8 DATA SEQUENCE DRKAPVRPTP LDRVIPAPAS VDPGGAPYRI TRGTHIRVDD SREARRVGDY DATA SEQUENCE LADLLRPATG YRLPVTAHGH GGIRLRLAGG PYGDEGYRLD SGPAGVTITA DATA SEQUENCE RKAAGLFHGV QTLRQLLPPA VEKDSAQPGP WLVAGGTIED TPRYAWRSAM DATA SEQUENCE LDVSRHFFGV DEVKRYIDRV ARYKYNKLHL HLSDDQGWRI AIDSWPRLAT DATA SEQUENCE YGGSTEVGGG PGGYYTKAEY KEIVRYAASR HLEVVPEIDM PGHTNAALAS DATA SEQUENCE YAELNcDGVA PPLYTGTKVG FSSLcVDKDV TYDFVDDVIG ELAALTPGRY DATA SEQUENCE LHIGGDEAHS TPKADFVAFM KRVQPIVAKY GKTVVGWHQL AGAEPVEGAL DATA SEQUENCE VQYWGLDRTG DAEKAEVAEA ARNGTGLILS PADRTYLDMK YTKDTPLGLS DATA SEQUENCE WAGYVEVQRS YDWDPAGYLP GAPADAVRGV EAPLWTETLS DPDQLDYMAF DATA SEQUENCE PRLPGVAELG WSPASTHDWD TYKVRLAAQA PYWEAAGIDF YRSPQVPWT 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 8 D HA 0.000 nan 4.640 nan 0.000 0.175 8 D C 0.000 176.252 176.300 -0.081 0.000 2.045 8 D CA 0.000 53.958 54.000 -0.070 0.000 0.868 8 D CB 0.000 40.756 40.800 -0.073 0.000 0.688 9 R N 0.752 121.209 120.500 -0.071 0.000 2.091 9 R HA -0.114 4.225 4.340 -0.002 0.000 0.238 9 R C 1.420 177.643 176.300 -0.129 0.000 1.136 9 R CA 1.549 57.601 56.100 -0.081 0.000 0.959 9 R CB 0.014 30.282 30.300 -0.055 0.000 0.856 9 R HN 0.009 nan 8.270 nan 0.000 0.437 10 K N 0.068 120.390 120.400 -0.129 0.000 2.103 10 K HA 0.049 4.368 4.320 -0.002 0.000 0.204 10 K C 0.625 177.110 176.600 -0.193 0.000 1.052 10 K CA 1.248 57.436 56.287 -0.165 0.000 0.945 10 K CB 0.439 32.866 32.500 -0.121 0.000 0.722 10 K HN 0.117 nan 8.250 nan 0.000 0.443 11 A N 1.453 124.170 122.820 -0.171 0.000 3.030 11 A HA 0.413 4.732 4.320 -0.002 0.000 0.335 11 A C -2.703 174.782 177.584 -0.165 0.000 1.089 11 A CA -1.554 50.361 52.037 -0.203 0.000 0.807 11 A CB 0.117 18.981 19.000 -0.227 0.000 1.099 11 A HN -0.071 nan 8.150 nan 0.000 0.474 12 P HA 0.062 nan 4.420 nan 0.000 0.267 12 P C 1.308 178.544 177.300 -0.108 0.000 1.201 12 P CA -0.078 62.958 63.100 -0.107 0.000 0.775 12 P CB 0.838 32.487 31.700 -0.085 0.000 0.854 13 V N 1.851 121.713 119.914 -0.086 0.000 2.358 13 V HA -0.132 3.987 4.120 -0.002 0.000 0.246 13 V C 1.280 177.330 176.094 -0.074 0.000 1.047 13 V CA 1.714 63.966 62.300 -0.081 0.000 1.035 13 V CB -0.629 31.157 31.823 -0.063 0.000 0.658 13 V HN 0.517 nan 8.190 nan 0.000 0.452 14 R N 0.315 120.779 120.500 -0.060 0.000 2.832 14 R HA 0.419 4.758 4.340 -0.002 0.000 0.271 14 R C -2.532 173.745 176.300 -0.039 0.000 0.996 14 R CA -1.973 54.100 56.100 -0.046 0.000 0.977 14 R CB 1.028 31.307 30.300 -0.034 0.000 1.168 14 R HN 0.150 nan 8.270 nan 0.000 0.482 15 P HA -0.020 nan 4.420 nan 0.000 0.269 15 P C -0.208 177.094 177.300 0.004 0.000 1.215 15 P CA -0.094 63.005 63.100 -0.003 0.000 0.780 15 P CB 0.416 32.124 31.700 0.013 0.000 0.898 16 T N -0.524 114.043 114.554 0.022 0.000 2.918 16 T HA 0.285 4.634 4.350 -0.002 0.000 0.302 16 T C -2.296 172.409 174.700 0.007 0.000 1.045 16 T CA -1.640 60.471 62.100 0.018 0.000 1.114 16 T CB -0.720 68.178 68.868 0.049 0.000 0.965 16 T HN 0.222 nan 8.240 nan 0.000 0.540 17 P HA 0.010 nan 4.420 nan 0.000 0.264 17 P C 0.796 178.093 177.300 -0.006 0.000 1.179 17 P CA -0.377 62.717 63.100 -0.011 0.000 0.763 17 P CB 0.295 31.979 31.700 -0.026 0.000 0.806 18 L N 3.390 124.616 121.223 0.004 0.000 2.265 18 L HA -0.138 4.201 4.340 -0.002 0.000 0.215 18 L C 1.531 178.406 176.870 0.008 0.000 1.117 18 L CA 1.918 56.766 54.840 0.013 0.000 0.782 18 L CB -0.768 41.304 42.059 0.022 0.000 0.914 18 L HN 0.426 nan 8.230 nan 0.000 0.441 19 D N -1.142 119.258 120.400 -0.001 0.000 2.350 19 D HA -0.153 4.486 4.640 -0.002 0.000 0.213 19 D C 1.342 177.629 176.300 -0.023 0.000 1.031 19 D CA -0.082 53.917 54.000 -0.002 0.000 0.861 19 D CB -0.304 40.495 40.800 -0.002 0.000 0.926 19 D HN 0.271 nan 8.370 nan 0.000 0.520 20 R N 1.416 121.890 120.500 -0.042 0.000 4.154 20 R HA 0.248 4.587 4.340 -0.002 0.000 0.186 20 R C -0.457 175.784 176.300 -0.099 0.000 1.750 20 R CA -0.223 55.829 56.100 -0.080 0.000 1.431 20 R CB -0.321 29.927 30.300 -0.086 0.000 1.383 20 R HN 0.118 nan 8.270 nan 0.000 0.788 21 V N -0.487 119.382 119.914 -0.075 0.000 3.114 21 V HA 0.642 4.761 4.120 -0.002 0.000 0.308 21 V C -0.711 175.365 176.094 -0.029 0.000 1.168 21 V CA -1.159 61.094 62.300 -0.078 0.000 1.015 21 V CB 2.391 34.178 31.823 -0.060 0.000 1.050 21 V HN 0.235 nan 8.190 nan 0.000 0.433 22 I N 2.290 122.863 120.570 0.005 0.000 2.466 22 I HA 0.545 4.714 4.170 -0.002 0.000 0.289 22 I C -2.660 173.516 176.117 0.098 0.000 1.026 22 I CA -2.078 59.280 61.300 0.097 0.000 1.078 22 I CB 2.659 40.748 38.000 0.148 0.000 1.249 22 I HN 0.484 nan 8.210 nan 0.000 0.429 23 P HA 0.100 nan 4.420 nan 0.000 0.272 23 P C -0.477 176.860 177.300 0.063 0.000 1.223 23 P CA -0.313 62.805 63.100 0.030 0.000 0.784 23 P CB 0.628 32.291 31.700 -0.061 0.000 0.923 24 A N 4.502 127.418 122.820 0.159 0.000 2.548 24 A HA 0.252 4.571 4.320 -0.002 0.000 0.247 24 A C -2.071 175.625 177.584 0.186 0.000 1.067 24 A CA -0.693 51.432 52.037 0.146 0.000 0.757 24 A CB -1.270 17.827 19.000 0.162 0.000 0.996 24 A HN 0.394 nan 8.150 nan 0.000 0.504 25 P HA 0.214 nan 4.420 nan 0.000 0.272 25 P C 0.886 178.282 177.300 0.160 0.000 1.223 25 P CA 0.457 63.672 63.100 0.192 0.000 0.784 25 P CB 0.880 32.652 31.700 0.119 0.000 0.923 26 A N 1.470 124.382 122.820 0.153 0.000 1.902 26 A HA -0.043 4.276 4.320 -0.002 0.000 0.217 26 A C 1.116 178.723 177.584 0.039 0.000 1.181 26 A CA 1.833 53.907 52.037 0.063 0.000 0.623 26 A CB -0.611 18.392 19.000 0.005 0.000 0.818 26 A HN 0.518 nan 8.150 nan 0.000 0.443 27 S N -1.302 114.419 115.700 0.035 0.000 2.619 27 S HA 0.546 5.015 4.470 -0.002 0.000 0.280 27 S C -1.398 173.219 174.600 0.029 0.000 1.150 27 S CA -0.538 57.678 58.200 0.026 0.000 0.978 27 S CB 1.510 64.722 63.200 0.019 0.000 1.041 27 S HN 0.357 nan 8.310 nan 0.000 0.485 28 V N 4.182 124.114 119.914 0.029 0.000 2.531 28 V HA 0.549 4.668 4.120 -0.002 0.000 0.301 28 V C -0.986 175.123 176.094 0.024 0.000 1.034 28 V CA -0.659 61.658 62.300 0.029 0.000 0.865 28 V CB 1.851 33.692 31.823 0.030 0.000 0.995 28 V HN 0.913 nan 8.190 nan 0.000 0.424 29 D N 6.320 126.735 120.400 0.024 0.000 2.378 29 D HA 0.398 5.037 4.640 -0.002 0.000 0.265 29 D C -2.495 173.818 176.300 0.022 0.000 1.229 29 D CA -1.540 52.473 54.000 0.021 0.000 0.914 29 D CB 1.877 42.690 40.800 0.022 0.000 1.140 29 D HN 0.304 nan 8.370 nan 0.000 0.516 30 P HA 0.491 nan 4.420 nan 0.000 0.275 30 P C 0.068 177.378 177.300 0.018 0.000 1.228 30 P CA -0.107 63.005 63.100 0.019 0.000 0.786 30 P CB 1.591 33.299 31.700 0.014 0.000 0.927 31 G N -0.682 108.130 108.800 0.020 0.000 2.377 31 G HA2 0.517 4.476 3.960 -0.002 0.000 0.297 31 G HA3 0.517 4.476 3.960 -0.002 0.000 0.297 31 G C -0.377 174.536 174.900 0.022 0.000 1.547 31 G CA 0.453 45.564 45.100 0.018 0.000 0.833 31 G HN 0.757 nan 8.290 nan 0.000 0.583 32 G N -0.605 108.206 108.800 0.019 0.000 2.697 32 G HA2 0.398 4.357 3.960 -0.002 0.000 0.240 32 G HA3 0.398 4.357 3.960 -0.002 0.000 0.240 32 G C 0.639 175.554 174.900 0.025 0.000 1.346 32 G CA 0.722 45.835 45.100 0.022 0.000 0.887 32 G HN 2.402 nan 8.290 nan 0.000 0.569 33 A N 1.037 123.875 122.820 0.030 0.000 2.271 33 A HA 0.877 5.196 4.320 -0.002 0.000 0.288 33 A C -1.118 176.497 177.584 0.052 0.000 1.094 33 A CA -0.219 51.837 52.037 0.033 0.000 0.828 33 A CB 0.711 19.728 19.000 0.029 0.000 1.091 33 A HN 0.896 nan 8.150 nan 0.000 0.493 34 P HA 0.283 nan 4.420 nan 0.000 0.281 34 P C -1.325 176.052 177.300 0.129 0.000 1.281 34 P CA -0.186 62.963 63.100 0.082 0.000 0.811 34 P CB 0.623 32.355 31.700 0.053 0.000 1.154 35 Y N 0.604 120.924 120.300 0.033 0.000 2.376 35 Y HA 0.502 5.051 4.550 -0.002 0.000 0.325 35 Y C 0.139 176.075 175.900 0.060 0.000 1.199 35 Y CA -0.841 57.283 58.100 0.040 0.000 1.206 35 Y CB 1.247 39.732 38.460 0.041 0.000 1.229 35 Y HN 0.287 nan 8.280 nan 0.000 0.480 36 R N 6.444 126.416 120.500 -0.880 0.000 2.502 36 R HA 0.487 4.826 4.340 -0.002 0.000 0.300 36 R C -1.592 174.218 176.300 -0.816 0.000 0.984 36 R CA -0.622 55.144 56.100 -0.558 0.000 0.882 36 R CB 0.880 31.018 30.300 -0.270 0.000 1.180 36 R HN 0.837 nan 8.270 nan 0.000 0.444 37 I N 4.300 124.707 120.570 -0.272 0.000 2.416 37 I HA 0.160 4.329 4.170 -0.002 0.000 0.288 37 I C 0.646 176.863 176.117 0.168 0.000 1.051 37 I CA 0.023 61.322 61.300 -0.002 0.000 1.375 37 I CB 1.436 39.587 38.000 0.252 0.000 1.407 37 I HN 0.665 nan 8.210 nan 0.000 0.516 38 T N 2.139 116.671 114.554 -0.036 0.000 2.926 38 T HA 0.346 4.695 4.350 -0.002 0.000 0.289 38 T C 1.086 175.299 174.700 -0.811 0.000 1.054 38 T CA -1.012 60.967 62.100 -0.202 0.000 1.015 38 T CB 1.616 70.402 68.868 -0.137 0.000 1.167 38 T HN 0.735 nan 8.240 nan 0.000 0.526 39 R N 0.319 120.153 120.500 -1.109 0.000 2.174 39 R HA -0.080 4.259 4.340 -0.002 0.000 0.253 39 R C 1.746 177.740 176.300 -0.510 0.000 1.165 39 R CA 1.988 57.386 56.100 -1.171 0.000 0.984 39 R CB -1.209 28.840 30.300 -0.419 0.000 0.873 39 R HN 0.735 nan 8.270 nan 0.000 0.456 40 G N 0.550 109.180 108.800 -0.284 0.000 3.042 40 G HA2 0.011 3.970 3.960 -0.002 0.000 0.212 40 G HA3 0.011 3.970 3.960 -0.002 0.000 0.212 40 G C -0.094 174.819 174.900 0.021 0.000 1.166 40 G CA -0.208 44.840 45.100 -0.086 0.000 0.767 40 G HN 0.241 nan 8.290 nan 0.000 0.546 41 T N 2.008 116.550 114.554 -0.020 0.000 2.908 41 T HA 0.173 4.521 4.350 -0.002 0.000 0.301 41 T C -0.358 174.495 174.700 0.254 0.000 1.019 41 T CA 0.378 62.543 62.100 0.108 0.000 1.152 41 T CB 0.494 69.440 68.868 0.131 0.000 0.966 41 T HN 0.234 nan 8.240 nan 0.000 0.540 42 H N 1.561 120.627 119.070 -0.006 0.000 2.533 42 H HA 0.528 5.083 4.556 -0.002 0.000 0.343 42 H C 0.073 175.383 175.328 -0.031 0.000 1.160 42 H CA -1.264 54.766 56.048 -0.030 0.000 1.218 42 H CB 0.793 30.520 29.762 -0.059 0.000 1.566 42 H HN 0.465 nan 8.280 nan 0.000 0.522 43 I N 2.487 123.088 120.570 0.052 0.000 2.330 43 I HA 0.210 4.379 4.170 -0.002 0.000 0.286 43 I C 0.053 176.162 176.117 -0.013 0.000 1.025 43 I CA -0.712 60.593 61.300 0.008 0.000 1.197 43 I CB 0.552 38.544 38.000 -0.012 0.000 1.358 43 I HN 0.208 nan 8.210 nan 0.000 0.467 44 R N 7.038 127.526 120.500 -0.020 0.000 2.221 44 R HA 0.569 4.908 4.340 -0.002 0.000 0.327 44 R C -0.950 175.328 176.300 -0.037 0.000 1.033 44 R CA -0.359 55.714 56.100 -0.044 0.000 0.887 44 R CB 0.818 31.081 30.300 -0.062 0.000 1.057 44 R HN 0.476 nan 8.270 nan 0.000 0.455 45 V N -0.120 119.776 119.914 -0.029 0.000 3.113 45 V HA 0.621 4.740 4.120 -0.002 0.000 0.316 45 V C -0.433 175.655 176.094 -0.011 0.000 1.125 45 V CA -1.142 61.148 62.300 -0.016 0.000 1.026 45 V CB 2.038 33.859 31.823 -0.003 0.000 1.080 45 V HN 0.660 nan 8.190 nan 0.000 0.444 46 D N 0.909 121.307 120.400 -0.004 0.000 2.360 46 D HA 0.163 4.802 4.640 -0.002 0.000 0.242 46 D C -0.476 175.829 176.300 0.009 0.000 1.184 46 D CA 0.243 54.243 54.000 0.000 0.000 0.930 46 D CB 0.983 41.785 40.800 0.003 0.000 1.161 46 D HN 0.886 nan 8.370 nan 0.000 0.447 47 D N -0.044 120.363 120.400 0.012 0.000 2.688 47 D HA 0.120 4.759 4.640 -0.002 0.000 0.228 47 D C -0.806 175.501 176.300 0.013 0.000 1.116 47 D CA -0.208 53.802 54.000 0.017 0.000 1.023 47 D CB -0.393 40.418 40.800 0.018 0.000 1.100 47 D HN 0.261 nan 8.370 nan 0.000 0.487 48 S N 0.399 116.106 115.700 0.012 0.000 2.579 48 S HA 0.416 4.885 4.470 -0.002 0.000 0.272 48 S C 0.743 175.348 174.600 0.010 0.000 1.141 48 S CA -1.055 57.150 58.200 0.010 0.000 0.843 48 S CB 2.111 65.317 63.200 0.009 0.000 1.122 48 S HN 0.101 nan 8.310 nan 0.000 0.468 49 R N 1.568 122.072 120.500 0.007 0.000 2.070 49 R HA -0.114 4.225 4.340 -0.002 0.000 0.233 49 R C 2.159 178.463 176.300 0.006 0.000 1.137 49 R CA 2.531 58.634 56.100 0.005 0.000 0.945 49 R CB -0.856 29.443 30.300 -0.001 0.000 0.845 49 R HN 0.934 nan 8.270 nan 0.000 0.430 50 E N -0.553 119.650 120.200 0.006 0.000 2.110 50 E HA -0.186 4.163 4.350 -0.002 0.000 0.193 50 E C 1.844 178.456 176.600 0.020 0.000 0.988 50 E CA 1.299 57.706 56.400 0.011 0.000 0.804 50 E CB -0.386 29.321 29.700 0.012 0.000 0.745 50 E HN 0.376 nan 8.360 nan 0.000 0.458 51 A N 1.774 124.604 122.820 0.016 0.000 1.855 51 A HA -0.103 4.216 4.320 -0.002 0.000 0.215 51 A C 2.312 179.909 177.584 0.022 0.000 1.191 51 A CA 1.376 53.423 52.037 0.016 0.000 0.613 51 A CB -0.463 18.543 19.000 0.010 0.000 0.829 51 A HN 0.130 nan 8.150 nan 0.000 0.442 52 R N -1.054 119.458 120.500 0.020 0.000 2.091 52 R HA -0.163 4.176 4.340 -0.002 0.000 0.238 52 R C 2.475 178.797 176.300 0.036 0.000 1.136 52 R CA 1.696 57.809 56.100 0.023 0.000 0.959 52 R CB -0.290 30.021 30.300 0.018 0.000 0.856 52 R HN 0.512 nan 8.270 nan 0.000 0.437 53 R N 0.400 120.921 120.500 0.035 0.000 2.096 53 R HA -0.148 4.191 4.340 -0.002 0.000 0.240 53 R C 2.075 178.433 176.300 0.096 0.000 1.139 53 R CA 1.649 57.776 56.100 0.045 0.000 0.952 53 R CB -0.344 29.964 30.300 0.013 0.000 0.854 53 R HN 0.041 nan 8.270 nan 0.000 0.436 54 V N -0.287 119.688 119.914 0.101 0.000 2.515 54 V HA -0.091 4.028 4.120 -0.002 0.000 0.250 54 V C 2.253 178.438 176.094 0.152 0.000 1.058 54 V CA 1.895 64.292 62.300 0.160 0.000 1.064 54 V CB -0.810 31.078 31.823 0.109 0.000 0.675 54 V HN 0.654 nan 8.190 nan 0.000 0.461 55 G N -0.105 108.743 108.800 0.081 0.000 2.421 55 G HA2 -0.233 3.726 3.960 -0.002 0.000 0.216 55 G HA3 -0.233 3.726 3.960 -0.002 0.000 0.216 55 G C 1.245 176.175 174.900 0.050 0.000 1.171 55 G CA 0.969 46.098 45.100 0.047 0.000 0.775 55 G HN 0.489 nan 8.290 nan 0.000 0.543 56 D N -0.558 119.880 120.400 0.063 0.000 2.144 56 D HA -0.117 4.522 4.640 -0.002 0.000 0.199 56 D C 1.908 178.251 176.300 0.070 0.000 0.984 56 D CA 0.766 54.795 54.000 0.049 0.000 0.834 56 D CB -0.271 40.559 40.800 0.050 0.000 0.955 56 D HN 0.417 nan 8.370 nan 0.000 0.465 57 Y N 1.402 121.707 120.300 0.008 0.000 2.145 57 Y HA -0.197 4.352 4.550 -0.002 0.000 0.286 57 Y C 2.161 178.044 175.900 -0.030 0.000 1.145 57 Y CA 1.075 59.185 58.100 0.018 0.000 1.148 57 Y CB -0.398 38.123 38.460 0.101 0.000 0.981 57 Y HN -0.070 nan 8.280 nan 0.000 0.507 58 L N 0.889 122.106 121.223 -0.010 0.000 2.017 58 L HA -0.060 4.279 4.340 -0.002 0.000 0.208 58 L C 2.454 179.222 176.870 -0.169 0.000 1.073 58 L CA 2.204 56.962 54.840 -0.138 0.000 0.745 58 L CB -1.468 40.567 42.059 -0.040 0.000 0.894 58 L HN 0.271 nan 8.230 nan 0.000 0.432 59 A N -0.673 122.087 122.820 -0.100 0.000 1.908 59 A HA -0.244 4.074 4.320 -0.002 0.000 0.218 59 A C 2.012 179.517 177.584 -0.131 0.000 1.181 59 A CA 2.004 53.983 52.037 -0.096 0.000 0.627 59 A CB -0.941 18.025 19.000 -0.057 0.000 0.818 59 A HN 0.565 nan 8.150 nan 0.000 0.445 60 D N -0.064 120.249 120.400 -0.144 0.000 2.178 60 D HA -0.098 4.541 4.640 -0.002 0.000 0.201 60 D C 1.895 178.071 176.300 -0.207 0.000 0.980 60 D CA 0.897 54.807 54.000 -0.150 0.000 0.842 60 D CB -0.293 40.432 40.800 -0.125 0.000 0.948 60 D HN 0.471 nan 8.370 nan 0.000 0.472 61 L N -0.002 121.038 121.223 -0.305 0.000 2.141 61 L HA -0.073 4.266 4.340 -0.002 0.000 0.209 61 L C 2.257 178.979 176.870 -0.248 0.000 1.094 61 L CA 0.661 55.317 54.840 -0.306 0.000 0.763 61 L CB -0.110 41.706 42.059 -0.406 0.000 0.908 61 L HN 0.041 nan 8.230 nan 0.000 0.437 62 L N -1.648 119.425 121.223 -0.250 0.000 2.408 62 L HA 0.032 4.371 4.340 -0.002 0.000 0.215 62 L C 2.565 179.244 176.870 -0.318 0.000 1.081 62 L CA 0.174 54.830 54.840 -0.307 0.000 0.840 62 L CB -0.305 41.581 42.059 -0.289 0.000 1.002 62 L HN 0.101 nan 8.230 nan 0.000 0.468 63 R N 0.699 121.071 120.500 -0.213 0.000 2.083 63 R HA -0.160 4.179 4.340 -0.002 0.000 0.237 63 R C -0.298 175.895 176.300 -0.178 0.000 1.137 63 R CA 1.734 57.732 56.100 -0.169 0.000 0.951 63 R CB -1.539 28.701 30.300 -0.101 0.000 0.851 63 R HN 0.277 nan 8.270 nan 0.000 0.434 64 P HA -0.189 nan 4.420 nan 0.000 0.214 64 P C 0.918 178.135 177.300 -0.137 0.000 1.163 64 P CA 1.994 65.023 63.100 -0.119 0.000 0.889 64 P CB -0.011 31.632 31.700 -0.095 0.000 0.790 65 A N -0.920 121.784 122.820 -0.193 0.000 1.929 65 A HA -0.129 4.190 4.320 -0.002 0.000 0.216 65 A C 2.227 179.668 177.584 -0.238 0.000 1.176 65 A CA 2.298 54.237 52.037 -0.162 0.000 0.628 65 A CB -1.847 17.056 19.000 -0.162 0.000 0.816 65 A HN 0.352 nan 8.150 nan 0.000 0.444 66 T N -4.506 109.690 114.554 -0.597 0.000 2.937 66 T HA 0.338 4.687 4.350 -0.002 0.000 0.260 66 T C 1.669 176.004 174.700 -0.609 0.000 1.051 66 T CA 1.340 62.905 62.100 -0.891 0.000 1.141 66 T CB -0.337 67.643 68.868 -1.480 0.000 0.879 66 T HN 1.676 nan 8.240 nan 0.000 0.459 67 G N 0.535 109.138 108.800 -0.328 0.000 2.179 67 G HA2 -0.233 3.725 3.960 -0.002 0.000 0.260 67 G HA3 -0.233 3.725 3.960 -0.002 0.000 0.260 67 G C -0.088 174.826 174.900 0.025 0.000 0.977 67 G CA 0.253 45.284 45.100 -0.116 0.000 0.641 67 G HN 0.604 nan 8.290 nan 0.000 0.533 68 Y N 0.005 120.265 120.300 -0.067 0.000 2.314 68 Y HA 0.488 5.037 4.550 -0.002 0.000 0.334 68 Y C 1.779 177.644 175.900 -0.057 0.000 1.266 68 Y CA -0.785 57.285 58.100 -0.051 0.000 1.391 68 Y CB 0.372 38.791 38.460 -0.069 0.000 1.306 68 Y HN 0.114 nan 8.280 nan 0.000 0.558 69 R N 1.089 121.668 120.500 0.131 0.000 2.075 69 R HA -0.036 4.303 4.340 -0.002 0.000 0.232 69 R C 0.132 176.433 176.300 0.003 0.000 1.126 69 R CA 0.856 56.977 56.100 0.036 0.000 0.963 69 R CB -0.354 29.949 30.300 0.005 0.000 0.858 69 R HN 0.850 nan 8.270 nan 0.000 0.435 70 L N 1.776 123.006 121.223 0.012 0.000 3.826 70 L HA -0.141 4.198 4.340 -0.002 0.000 0.566 70 L C -2.160 174.661 176.870 -0.082 0.000 1.217 70 L CA -0.601 54.230 54.840 -0.015 0.000 0.823 70 L CB -1.123 40.938 42.059 0.003 0.000 1.381 70 L HN 0.288 nan 8.230 nan 0.000 0.825 71 P HA 0.203 nan 4.420 nan 0.000 0.275 71 P C -0.287 176.912 177.300 -0.169 0.000 1.228 71 P CA -0.122 62.854 63.100 -0.206 0.000 0.786 71 P CB 1.490 32.977 31.700 -0.354 0.000 0.927 72 V N 3.588 123.443 119.914 -0.099 0.000 2.347 72 V HA 0.451 4.570 4.120 -0.002 0.000 0.280 72 V C 0.757 176.821 176.094 -0.050 0.000 1.021 72 V CA 0.023 62.287 62.300 -0.061 0.000 0.847 72 V CB 0.944 32.751 31.823 -0.027 0.000 0.990 72 V HN 0.856 nan 8.190 nan 0.000 0.444 73 T N 1.563 116.080 114.554 -0.062 0.000 2.864 73 T HA 0.712 5.061 4.350 -0.002 0.000 0.299 73 T C 0.106 174.792 174.700 -0.024 0.000 1.166 73 T CA -0.125 61.956 62.100 -0.033 0.000 1.007 73 T CB 2.239 71.014 68.868 -0.155 0.000 1.219 73 T HN 0.666 nan 8.240 nan 0.000 0.506 74 A N 1.447 124.318 122.820 0.084 0.000 2.577 74 A HA 0.435 4.754 4.320 -0.002 0.000 0.280 74 A C 0.517 178.169 177.584 0.113 0.000 1.331 74 A CA -0.371 51.707 52.037 0.069 0.000 0.935 74 A CB -0.811 18.232 19.000 0.072 0.000 1.082 74 A HN 1.005 nan 8.150 nan 0.000 0.525 75 H N -3.460 115.605 119.070 -0.009 0.000 2.980 75 H HA 0.631 5.186 4.556 -0.002 0.000 0.367 75 H C 0.235 175.557 175.328 -0.010 0.000 1.206 75 H CA -0.475 55.563 56.048 -0.018 0.000 1.126 75 H CB 0.680 30.445 29.762 0.004 0.000 1.838 75 H HN 1.047 nan 8.280 nan 0.000 0.552 76 G N 0.871 109.646 108.800 -0.041 0.000 2.728 76 G HA2 -0.187 3.771 3.960 -0.002 0.000 0.294 76 G HA3 -0.187 3.771 3.960 -0.002 0.000 0.294 76 G C -1.393 173.385 174.900 -0.202 0.000 1.342 76 G CA -0.268 44.807 45.100 -0.042 0.000 0.866 76 G HN 0.984 nan 8.290 nan 0.000 0.534 77 H N 0.485 119.524 119.070 -0.051 0.000 2.410 77 H HA 0.526 5.081 4.556 -0.002 0.000 0.232 77 H C 1.211 176.499 175.328 -0.066 0.000 1.535 77 H CA 0.243 56.261 56.048 -0.049 0.000 1.310 77 H CB 0.389 30.128 29.762 -0.039 0.000 1.518 77 H HN 0.937 nan 8.280 nan 0.000 0.545 78 G N 0.072 108.874 108.800 0.003 0.000 2.474 78 G HA2 0.119 4.078 3.960 -0.002 0.000 0.233 78 G HA3 0.119 4.078 3.960 -0.002 0.000 0.233 78 G C 1.280 176.175 174.900 -0.009 0.000 1.278 78 G CA 0.011 45.118 45.100 0.012 0.000 0.861 78 G HN 0.662 nan 8.290 nan 0.000 0.567 79 G N 0.384 109.190 108.800 0.010 0.000 2.443 79 G HA2 -0.002 3.957 3.960 -0.002 0.000 0.219 79 G HA3 -0.002 3.957 3.960 -0.002 0.000 0.219 79 G C 0.665 175.422 174.900 -0.238 0.000 1.131 79 G CA 0.212 45.288 45.100 -0.039 0.000 0.775 79 G HN 0.537 nan 8.290 nan 0.000 0.547 80 I N 0.195 120.704 120.570 -0.102 0.000 2.411 80 I HA 0.391 4.560 4.170 -0.002 0.000 0.284 80 I C -0.385 175.684 176.117 -0.079 0.000 1.012 80 I CA -0.874 60.353 61.300 -0.122 0.000 1.119 80 I CB 1.995 39.973 38.000 -0.036 0.000 1.261 80 I HN -0.085 nan 8.210 nan 0.000 0.448 81 R N 7.089 127.533 120.500 -0.094 0.000 2.445 81 R HA 0.683 5.022 4.340 -0.002 0.000 0.308 81 R C -1.710 174.557 176.300 -0.055 0.000 0.961 81 R CA -0.368 55.693 56.100 -0.064 0.000 0.862 81 R CB 1.135 31.398 30.300 -0.061 0.000 1.144 81 R HN 0.586 nan 8.270 nan 0.000 0.447 82 L N 6.235 127.434 121.223 -0.041 0.000 2.316 82 L HA 0.582 4.921 4.340 -0.002 0.000 0.280 82 L C -0.250 176.607 176.870 -0.021 0.000 1.006 82 L CA -0.766 54.053 54.840 -0.034 0.000 0.836 82 L CB 1.243 43.285 42.059 -0.028 0.000 1.221 82 L HN 0.654 nan 8.230 nan 0.000 0.418 83 R N 3.713 124.205 120.500 -0.014 0.000 2.621 83 R HA 0.731 5.070 4.340 -0.002 0.000 0.292 83 R C -1.447 174.862 176.300 0.016 0.000 0.969 83 R CA -0.901 55.198 56.100 -0.001 0.000 0.887 83 R CB 1.860 32.159 30.300 -0.000 0.000 1.180 83 R HN 0.446 nan 8.270 nan 0.000 0.450 84 L N 2.564 123.798 121.223 0.019 0.000 2.264 84 L HA 0.732 5.070 4.340 -0.002 0.000 0.289 84 L C -0.131 176.764 176.870 0.042 0.000 1.044 84 L CA -0.401 54.459 54.840 0.033 0.000 0.807 84 L CB 1.468 43.541 42.059 0.024 0.000 1.192 84 L HN 0.948 nan 8.230 nan 0.000 0.425 85 A N 2.343 125.204 122.820 0.067 0.000 2.602 85 A HA 0.805 5.124 4.320 -0.002 0.000 0.290 85 A C -0.244 177.391 177.584 0.084 0.000 1.114 85 A CA -0.259 51.818 52.037 0.067 0.000 0.683 85 A CB 0.990 20.031 19.000 0.068 0.000 1.281 85 A HN 0.646 nan 8.150 nan 0.000 0.416 86 G N -1.071 107.762 108.800 0.056 0.000 2.594 86 G HA2 0.624 4.583 3.960 -0.002 0.000 0.243 86 G HA3 0.624 4.583 3.960 -0.002 0.000 0.243 86 G C 0.336 175.257 174.900 0.035 0.000 1.229 86 G CA 0.506 45.628 45.100 0.036 0.000 0.843 86 G HN 2.042 nan 8.290 nan 0.000 0.578 87 G N 0.295 109.072 108.800 -0.038 0.000 2.316 87 G HA2 0.485 4.444 3.960 -0.002 0.000 0.296 87 G HA3 0.485 4.444 3.960 -0.002 0.000 0.296 87 G C -2.995 171.669 174.900 -0.393 0.000 1.399 87 G CA -0.428 44.542 45.100 -0.218 0.000 0.833 87 G HN 0.530 nan 8.290 nan 0.000 0.565 88 P HA 0.286 nan 4.420 nan 0.000 0.214 88 P C -0.779 176.181 177.300 -0.567 0.000 1.807 88 P CA -0.087 62.702 63.100 -0.518 0.000 0.921 88 P CB -0.399 31.051 31.700 -0.417 0.000 1.835 89 Y N -0.396 119.894 120.300 -0.016 0.000 2.557 89 Y HA 0.353 4.902 4.550 -0.001 0.000 0.247 89 Y C 1.857 177.756 175.900 -0.001 0.000 1.164 89 Y CA -0.008 58.084 58.100 -0.013 0.000 1.218 89 Y CB -0.260 38.213 38.460 0.021 0.000 1.210 89 Y HN 0.238 nan 8.280 nan 0.000 0.529 90 G N 0.897 109.741 108.800 0.074 0.000 2.622 90 G HA2 -0.326 3.633 3.960 -0.002 0.000 0.272 90 G HA3 -0.326 3.633 3.960 -0.002 0.000 0.272 90 G C 0.539 175.495 174.900 0.093 0.000 1.308 90 G CA 0.426 45.559 45.100 0.054 0.000 0.919 90 G HN 0.288 nan 8.290 nan 0.000 0.565 91 D N 0.570 121.017 120.400 0.078 0.000 2.317 91 D HA 0.051 4.690 4.640 -0.002 0.000 0.211 91 D C 1.964 178.338 176.300 0.122 0.000 0.966 91 D CA 1.469 55.520 54.000 0.085 0.000 0.876 91 D CB 0.259 41.102 40.800 0.071 0.000 0.927 91 D HN 0.704 nan 8.370 nan 0.000 0.519 92 E N -0.077 120.234 120.200 0.184 0.000 2.572 92 E HA 0.198 4.546 4.350 -0.002 0.000 0.220 92 E C 1.085 178.006 176.600 0.534 0.000 0.945 92 E CA -0.243 56.376 56.400 0.366 0.000 1.070 92 E CB 1.301 31.273 29.700 0.453 0.000 1.090 92 E HN 0.008 nan 8.360 nan 0.000 0.506 93 G N 0.859 109.857 108.800 0.330 0.000 2.588 93 G HA2 0.385 4.344 3.960 -0.002 0.000 0.281 93 G HA3 0.385 4.344 3.960 -0.002 0.000 0.281 93 G C -0.617 174.451 174.900 0.280 0.000 1.236 93 G CA -0.075 45.214 45.100 0.315 0.000 0.969 93 G HN 0.165 nan 8.290 nan 0.000 0.504 94 Y N -2.783 117.477 120.300 -0.066 0.000 2.779 94 Y HA 0.728 5.277 4.550 -0.001 0.000 0.340 94 Y C -0.868 174.603 175.900 -0.715 0.000 1.252 94 Y CA -1.577 56.260 58.100 -0.438 0.000 1.072 94 Y CB 1.185 39.557 38.460 -0.147 0.000 1.343 94 Y HN 0.695 nan 8.280 nan 0.000 0.450 95 R N 2.029 122.188 120.500 -0.569 0.000 2.621 95 R HA 0.763 5.102 4.340 -0.002 0.000 0.292 95 R C -2.281 174.044 176.300 0.042 0.000 0.969 95 R CA -0.987 54.904 56.100 -0.347 0.000 0.887 95 R CB 1.907 32.013 30.300 -0.324 0.000 1.180 95 R HN 0.974 nan 8.270 nan 0.000 0.450 96 L N 4.377 125.665 121.223 0.109 0.000 2.343 96 L HA 0.487 4.826 4.340 -0.002 0.000 0.278 96 L C -1.461 175.439 176.870 0.050 0.000 0.996 96 L CA -0.602 54.303 54.840 0.108 0.000 0.831 96 L CB 1.586 43.749 42.059 0.173 0.000 1.232 96 L HN 0.697 nan 8.230 nan 0.000 0.413 97 D N 3.360 123.771 120.400 0.018 0.000 2.256 97 D HA 0.320 4.959 4.640 -0.002 0.000 0.240 97 D C -0.910 175.386 176.300 -0.006 0.000 1.062 97 D CA 0.013 54.019 54.000 0.011 0.000 0.832 97 D CB 2.279 43.082 40.800 0.006 0.000 1.135 97 D HN 0.356 nan 8.370 nan 0.000 0.484 98 S N 1.097 116.806 115.700 0.015 0.000 2.521 98 S HA 0.822 5.291 4.470 -0.002 0.000 0.295 98 S C -0.367 174.266 174.600 0.054 0.000 1.098 98 S CA -0.415 57.802 58.200 0.029 0.000 0.999 98 S CB 1.508 64.747 63.200 0.065 0.000 1.034 98 S HN 0.629 nan 8.310 nan 0.000 0.483 99 G N 3.636 112.484 108.800 0.081 0.000 2.451 99 G HA2 0.457 4.416 3.960 -0.002 0.000 0.292 99 G HA3 0.457 4.416 3.960 -0.002 0.000 0.292 99 G C -2.920 172.086 174.900 0.176 0.000 1.427 99 G CA -0.788 44.373 45.100 0.102 0.000 0.792 99 G HN 0.391 nan 8.290 nan 0.000 0.498 100 P HA -0.060 nan 4.420 nan 0.000 0.217 100 P C 1.909 179.328 177.300 0.198 0.000 1.148 100 P CA 2.169 65.374 63.100 0.176 0.000 0.828 100 P CB 0.237 31.989 31.700 0.087 0.000 0.783 101 A N -1.434 121.450 122.820 0.106 0.000 2.168 101 A HA 0.402 4.721 4.320 -0.002 0.000 0.215 101 A C 1.186 178.764 177.584 -0.010 0.000 1.152 101 A CA 1.241 53.310 52.037 0.054 0.000 0.716 101 A CB -0.915 18.096 19.000 0.019 0.000 0.794 101 A HN 0.356 nan 8.150 nan 0.000 0.465 102 G N -2.846 105.893 108.800 -0.102 0.000 2.343 102 G HA2 0.255 4.214 3.960 -0.002 0.000 0.465 102 G HA3 0.255 4.214 3.960 -0.002 0.000 0.465 102 G C -1.137 173.395 174.900 -0.614 0.000 1.282 102 G CA -0.369 44.325 45.100 -0.675 0.000 0.996 102 G HN 0.690 nan 8.290 nan 0.000 0.521 103 V N 0.559 120.042 119.914 -0.718 0.000 2.448 103 V HA 0.762 4.881 4.120 -0.002 0.000 0.295 103 V C 0.120 176.091 176.094 -0.206 0.000 1.025 103 V CA -0.304 61.794 62.300 -0.337 0.000 0.859 103 V CB 1.700 33.373 31.823 -0.249 0.000 0.988 103 V HN 0.971 nan 8.190 nan 0.000 0.431 104 T N 6.316 120.801 114.554 -0.116 0.000 2.812 104 T HA 0.641 4.990 4.350 -0.002 0.000 0.282 104 T C -0.438 174.234 174.700 -0.046 0.000 0.990 104 T CA -0.190 61.865 62.100 -0.075 0.000 0.960 104 T CB 1.129 69.968 68.868 -0.049 0.000 0.948 104 T HN 0.380 nan 8.240 nan 0.000 0.438 105 I N 3.149 123.690 120.570 -0.048 0.000 2.355 105 I HA 0.362 4.531 4.170 -0.002 0.000 0.288 105 I C 0.041 176.143 176.117 -0.025 0.000 0.999 105 I CA -0.537 60.740 61.300 -0.038 0.000 1.163 105 I CB 1.678 39.625 38.000 -0.089 0.000 1.316 105 I HN 0.511 nan 8.210 nan 0.000 0.454 106 T N 5.317 119.859 114.554 -0.021 0.000 2.829 106 T HA 0.844 5.193 4.350 -0.002 0.000 0.280 106 T C -0.367 174.306 174.700 -0.044 0.000 0.999 106 T CA -0.594 61.498 62.100 -0.013 0.000 0.983 106 T CB 2.011 70.892 68.868 0.021 0.000 0.968 106 T HN 0.726 nan 8.240 nan 0.000 0.446 107 A N 2.063 124.910 122.820 0.044 0.000 2.599 107 A HA 0.623 4.942 4.320 -0.002 0.000 0.290 107 A C 0.511 178.179 177.584 0.141 0.000 1.101 107 A CA -0.830 51.269 52.037 0.103 0.000 0.674 107 A CB 1.157 20.208 19.000 0.085 0.000 1.277 107 A HN 0.734 nan 8.150 nan 0.000 0.419 108 R N -0.153 120.449 120.500 0.169 0.000 2.127 108 R HA 0.132 4.471 4.340 -0.002 0.000 0.217 108 R C 0.043 176.383 176.300 0.066 0.000 1.074 108 R CA 0.956 57.124 56.100 0.114 0.000 0.991 108 R CB 0.052 30.418 30.300 0.110 0.000 0.895 108 R HN 0.588 nan 8.270 nan 0.000 0.450 109 K N -1.501 118.930 120.400 0.052 0.000 2.466 109 K HA 0.429 4.748 4.320 -0.002 0.000 0.260 109 K C 0.226 176.803 176.600 -0.039 0.000 1.011 109 K CA -0.283 56.010 56.287 0.011 0.000 0.871 109 K CB 1.716 34.222 32.500 0.009 0.000 1.404 109 K HN -0.156 nan 8.250 nan 0.000 0.450 110 A N 0.982 123.766 122.820 -0.060 0.000 1.917 110 A HA -0.226 4.093 4.320 -0.002 0.000 0.219 110 A C 2.095 179.462 177.584 -0.361 0.000 1.182 110 A CA 2.560 54.528 52.037 -0.114 0.000 0.633 110 A CB -0.936 18.055 19.000 -0.015 0.000 0.819 110 A HN 0.788 nan 8.150 nan 0.000 0.448 111 A N -0.657 121.841 122.820 -0.536 0.000 1.940 111 A HA 0.058 4.377 4.320 -0.002 0.000 0.219 111 A C 2.394 179.600 177.584 -0.632 0.000 1.176 111 A CA 2.075 53.569 52.037 -0.906 0.000 0.631 111 A CB -1.349 17.352 19.000 -0.498 0.000 0.814 111 A HN 0.786 nan 8.150 nan 0.000 0.446 112 G N -0.343 108.331 108.800 -0.209 0.000 2.402 112 G HA2 -0.107 3.852 3.960 -0.002 0.000 0.216 112 G HA3 -0.107 3.852 3.960 -0.002 0.000 0.216 112 G C 1.536 176.419 174.900 -0.028 0.000 1.162 112 G CA 0.938 46.069 45.100 0.052 0.000 0.777 112 G HN 0.442 nan 8.290 nan 0.000 0.539 113 L N -0.860 120.303 121.223 -0.100 0.000 2.056 113 L HA 0.032 4.371 4.340 -0.002 0.000 0.207 113 L C 2.549 179.316 176.870 -0.170 0.000 1.078 113 L CA 0.835 55.604 54.840 -0.118 0.000 0.749 113 L CB -0.444 41.575 42.059 -0.067 0.000 0.901 113 L HN 0.204 nan 8.230 nan 0.000 0.433 114 F N 0.567 120.291 119.950 -0.376 0.000 2.134 114 F HA -0.243 4.283 4.527 -0.002 0.000 0.299 114 F C 2.523 178.152 175.800 -0.286 0.000 1.097 114 F CA 1.787 59.564 58.000 -0.371 0.000 1.264 114 F CB -0.313 38.349 39.000 -0.563 0.000 1.001 114 F HN 0.101 nan 8.300 nan 0.000 0.479 115 H N -1.412 117.572 119.070 -0.142 0.000 2.387 115 H HA -0.062 4.493 4.556 -0.002 0.000 0.299 115 H C 2.484 177.405 175.328 -0.679 0.000 1.090 115 H CA 0.563 56.443 56.048 -0.279 0.000 1.332 115 H CB -0.648 29.112 29.762 -0.003 0.000 1.386 115 H HN 0.428 nan 8.280 nan 0.000 0.516 116 G N 0.326 108.615 108.800 -0.852 0.000 2.422 116 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.218 116 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.218 116 G C 1.788 176.325 174.900 -0.604 0.000 1.146 116 G CA 0.995 45.336 45.100 -1.265 0.000 0.769 116 G HN 0.230 nan 8.290 nan 0.000 0.547 117 V N 0.555 120.210 119.914 -0.432 0.000 2.407 117 V HA -0.176 3.943 4.120 -0.002 0.000 0.248 117 V C 2.978 178.884 176.094 -0.314 0.000 1.055 117 V CA 1.784 63.898 62.300 -0.310 0.000 1.049 117 V CB -0.313 31.354 31.823 -0.260 0.000 0.662 117 V HN 0.299 nan 8.190 nan 0.000 0.455 118 Q N -0.355 119.213 119.800 -0.386 0.000 2.170 118 Q HA -0.154 4.185 4.340 -0.002 0.000 0.203 118 Q C 2.314 178.155 176.000 -0.265 0.000 0.976 118 Q CA 1.976 57.584 55.803 -0.325 0.000 0.858 118 Q CB -0.863 27.678 28.738 -0.328 0.000 0.907 118 Q HN 0.622 nan 8.270 nan 0.000 0.433 119 T N 1.577 115.965 114.554 -0.277 0.000 2.812 119 T HA -0.070 4.279 4.350 -0.002 0.000 0.264 119 T C 1.847 176.466 174.700 -0.134 0.000 1.042 119 T CA 0.681 62.673 62.100 -0.179 0.000 1.140 119 T CB -0.226 68.572 68.868 -0.116 0.000 0.870 119 T HN 0.128 nan 8.240 nan 0.000 0.445 120 L N 2.687 123.820 121.223 -0.150 0.000 2.042 120 L HA -0.105 4.234 4.340 -0.002 0.000 0.210 120 L C 2.483 179.317 176.870 -0.059 0.000 1.076 120 L CA 1.742 56.531 54.840 -0.085 0.000 0.749 120 L CB -0.525 41.477 42.059 -0.096 0.000 0.893 120 L HN 0.240 nan 8.230 nan 0.000 0.432 121 R N -1.088 119.353 120.500 -0.099 0.000 2.241 121 R HA -0.150 4.189 4.340 -0.002 0.000 0.224 121 R C 1.845 178.125 176.300 -0.034 0.000 1.101 121 R CA 1.491 57.553 56.100 -0.063 0.000 0.995 121 R CB -0.643 29.593 30.300 -0.107 0.000 0.870 121 R HN 0.548 nan 8.270 nan 0.000 0.463 122 Q N 0.608 120.344 119.800 -0.106 0.000 2.339 122 Q HA 0.163 4.502 4.340 -0.002 0.000 0.205 122 Q C 2.089 178.044 176.000 -0.075 0.000 0.925 122 Q CA 0.410 56.093 55.803 -0.200 0.000 0.898 122 Q CB 0.261 28.854 28.738 -0.242 0.000 1.013 122 Q HN 0.363 nan 8.270 nan 0.000 0.504 123 L N 0.451 121.667 121.223 -0.011 0.000 2.156 123 L HA -0.025 4.314 4.340 -0.002 0.000 0.208 123 L C 0.998 177.933 176.870 0.107 0.000 1.095 123 L CA 0.394 55.258 54.840 0.038 0.000 0.770 123 L CB -0.127 41.954 42.059 0.037 0.000 0.914 123 L HN 0.164 nan 8.230 nan 0.000 0.439 124 L N 0.506 121.815 121.223 0.143 0.000 2.472 124 L HA 0.164 4.503 4.340 -0.002 0.000 0.260 124 L C -1.847 175.187 176.870 0.273 0.000 1.209 124 L CA -1.695 53.274 54.840 0.215 0.000 0.817 124 L CB 0.027 42.219 42.059 0.222 0.000 1.106 124 L HN -0.144 nan 8.230 nan 0.000 0.479 125 P HA 0.146 nan 4.420 nan 0.000 0.274 125 P C -2.409 174.784 177.300 -0.179 0.000 1.237 125 P CA -1.614 61.493 63.100 0.012 0.000 0.793 125 P CB 0.342 31.988 31.700 -0.089 0.000 0.977 126 P HA -0.196 nan 4.420 nan 0.000 0.217 126 P C 1.474 178.589 177.300 -0.309 0.000 1.148 126 P CA 2.208 64.722 63.100 -0.977 0.000 0.834 126 P CB -0.543 30.627 31.700 -0.883 0.000 0.783 127 A N -0.651 122.080 122.820 -0.147 0.000 2.131 127 A HA -0.157 4.162 4.320 -0.002 0.000 0.220 127 A C 2.276 179.985 177.584 0.209 0.000 1.158 127 A CA 1.314 53.362 52.037 0.019 0.000 0.665 127 A CB -1.721 17.258 19.000 -0.035 0.000 0.795 127 A HN 0.179 nan 8.150 nan 0.000 0.460 128 V N 0.083 120.155 119.914 0.264 0.000 2.867 128 V HA -0.155 3.964 4.120 -0.002 0.000 0.260 128 V C 1.944 178.046 176.094 0.014 0.000 1.099 128 V CA 2.158 64.537 62.300 0.131 0.000 1.122 128 V CB -0.553 31.337 31.823 0.112 0.000 0.708 128 V HN 0.572 nan 8.190 nan 0.000 0.490 129 E N -0.167 120.054 120.200 0.035 0.000 2.371 129 E HA 0.025 4.374 4.350 -0.002 0.000 0.194 129 E C 0.852 177.456 176.600 0.006 0.000 1.012 129 E CA 0.103 56.518 56.400 0.024 0.000 0.860 129 E CB -0.029 29.703 29.700 0.053 0.000 0.811 129 E HN 0.529 nan 8.360 nan 0.000 0.502 130 K N 1.589 121.995 120.400 0.010 0.000 2.276 130 K HA -0.011 4.308 4.320 -0.002 0.000 0.259 130 K C 0.718 177.309 176.600 -0.015 0.000 1.001 130 K CA 0.180 56.470 56.287 0.005 0.000 0.927 130 K CB 0.381 32.893 32.500 0.019 0.000 0.969 130 K HN 0.031 nan 8.250 nan 0.000 0.490 131 D N -2.147 118.245 120.400 -0.014 0.000 2.360 131 D HA -0.042 4.597 4.640 -0.002 0.000 0.210 131 D C 0.158 176.444 176.300 -0.025 0.000 1.047 131 D CA -0.219 53.767 54.000 -0.024 0.000 0.854 131 D CB 0.210 41.000 40.800 -0.015 0.000 0.936 131 D HN 0.294 nan 8.370 nan 0.000 0.514 132 S N -0.477 115.215 115.700 -0.014 0.000 2.568 132 S HA 0.734 5.203 4.470 -0.002 0.000 0.302 132 S C 0.206 174.804 174.600 -0.004 0.000 1.082 132 S CA -0.859 57.334 58.200 -0.011 0.000 1.009 132 S CB 1.751 64.948 63.200 -0.004 0.000 1.069 132 S HN 0.304 nan 8.310 nan 0.000 0.500 133 A N 2.357 125.173 122.820 -0.007 0.000 2.565 133 A HA 0.400 4.719 4.320 -0.002 0.000 0.237 133 A C 0.219 177.832 177.584 0.048 0.000 1.053 133 A CA 0.162 52.203 52.037 0.007 0.000 0.755 133 A CB -0.196 18.806 19.000 0.005 0.000 0.980 133 A HN 0.751 nan 8.150 nan 0.000 0.506 134 Q N 1.458 121.334 119.800 0.127 0.000 2.433 134 Q HA 0.368 4.707 4.340 -0.002 0.000 0.279 134 Q C -2.072 173.953 176.000 0.042 0.000 1.105 134 Q CA -1.773 54.088 55.803 0.097 0.000 0.815 134 Q CB 0.992 29.820 28.738 0.150 0.000 1.403 134 Q HN 0.459 nan 8.270 nan 0.000 0.435 135 P HA -0.067 nan 4.420 nan 0.000 0.218 135 P C 0.438 177.487 177.300 -0.419 0.000 1.149 135 P CA 1.610 64.608 63.100 -0.170 0.000 0.817 135 P CB 0.290 31.898 31.700 -0.154 0.000 0.785 136 G N -1.080 107.249 108.800 -0.785 0.000 2.488 136 G HA2 -0.146 3.813 3.960 -0.002 0.000 0.237 136 G HA3 -0.146 3.813 3.960 -0.002 0.000 0.237 136 G C -2.501 171.955 174.900 -0.740 0.000 1.209 136 G CA -0.415 43.816 45.100 -1.448 0.000 0.929 136 G HN 0.104 nan 8.290 nan 0.000 0.578 137 P HA 0.384 nan 4.420 nan 0.000 0.274 137 P C -0.572 176.351 177.300 -0.628 0.000 1.237 137 P CA -0.077 62.687 63.100 -0.560 0.000 0.793 137 P CB 0.318 31.860 31.700 -0.263 0.000 0.977 138 W N 2.102 123.383 121.300 -0.031 0.000 1.611 138 W HA 0.334 4.993 4.660 -0.002 0.000 0.395 138 W C -0.453 176.043 176.519 -0.039 0.000 0.698 138 W CA -0.547 56.783 57.345 -0.025 0.000 1.845 138 W CB -0.392 29.075 29.460 0.011 0.000 1.818 138 W HN 0.072 nan 8.180 nan 0.000 0.270 139 L N 1.807 123.082 121.223 0.088 0.000 2.375 139 L HA 0.546 4.885 4.340 -0.002 0.000 0.271 139 L C 0.167 177.101 176.870 0.107 0.000 1.107 139 L CA -1.013 53.859 54.840 0.054 0.000 0.806 139 L CB 0.921 42.979 42.059 -0.002 0.000 1.146 139 L HN -0.171 nan 8.230 nan 0.000 0.447 140 V N 2.406 122.392 119.914 0.121 0.000 2.447 140 V HA 0.391 4.510 4.120 -0.002 0.000 0.292 140 V C 0.406 176.565 176.094 0.109 0.000 1.021 140 V CA -0.915 61.467 62.300 0.137 0.000 0.850 140 V CB 1.473 33.420 31.823 0.206 0.000 1.005 140 V HN 0.914 nan 8.190 nan 0.000 0.426 141 A N 3.699 126.562 122.820 0.073 0.000 2.609 141 A HA 0.435 4.754 4.320 -0.002 0.000 0.232 141 A C 1.001 178.623 177.584 0.063 0.000 1.041 141 A CA 0.941 53.011 52.037 0.055 0.000 0.753 141 A CB 0.067 19.089 19.000 0.037 0.000 0.966 141 A HN 1.253 nan 8.150 nan 0.000 0.510 142 G N 0.217 109.050 108.800 0.055 0.000 2.444 142 G HA2 0.675 4.634 3.960 -0.002 0.000 0.268 142 G HA3 0.675 4.634 3.960 -0.002 0.000 0.268 142 G C 0.424 175.349 174.900 0.042 0.000 1.203 142 G CA 0.400 45.533 45.100 0.055 0.000 0.835 142 G HN 2.197 nan 8.290 nan 0.000 0.543 143 G N -0.726 108.098 108.800 0.040 0.000 2.325 143 G HA2 0.409 4.368 3.960 -0.002 0.000 0.285 143 G HA3 0.409 4.368 3.960 -0.002 0.000 0.285 143 G C -0.718 174.202 174.900 0.034 0.000 1.303 143 G CA -0.193 44.927 45.100 0.033 0.000 0.970 143 G HN 1.007 nan 8.290 nan 0.000 0.490 144 T N 0.320 114.893 114.554 0.033 0.000 2.861 144 T HA 0.700 5.049 4.350 -0.002 0.000 0.287 144 T C -0.367 174.354 174.700 0.036 0.000 1.003 144 T CA -0.270 61.851 62.100 0.035 0.000 0.977 144 T CB 1.423 70.312 68.868 0.034 0.000 0.996 144 T HN 0.591 nan 8.240 nan 0.000 0.448 145 I N 2.480 123.074 120.570 0.040 0.000 2.466 145 I HA 0.389 4.558 4.170 -0.002 0.000 0.289 145 I C -0.262 175.833 176.117 -0.038 0.000 1.026 145 I CA -0.698 60.620 61.300 0.029 0.000 1.078 145 I CB 2.056 40.107 38.000 0.085 0.000 1.249 145 I HN 0.520 nan 8.210 nan 0.000 0.429 146 E N 4.756 124.923 120.200 -0.055 0.000 2.191 146 E HA 0.410 4.759 4.350 -0.002 0.000 0.263 146 E C -1.524 174.990 176.600 -0.143 0.000 0.881 146 E CA -0.714 55.636 56.400 -0.084 0.000 0.757 146 E CB 2.545 32.296 29.700 0.084 0.000 1.147 146 E HN 0.339 nan 8.360 nan 0.000 0.414 147 D N 1.907 122.088 120.400 -0.365 0.000 2.896 147 D HA 0.359 4.998 4.640 -0.002 0.000 0.241 147 D C -1.375 174.871 176.300 -0.090 0.000 1.188 147 D CA -0.295 53.577 54.000 -0.213 0.000 0.879 147 D CB 1.828 42.427 40.800 -0.335 0.000 1.553 147 D HN 0.426 nan 8.370 nan 0.000 0.515 148 T N 0.280 114.771 114.554 -0.105 0.000 2.900 148 T HA 0.720 5.069 4.350 -0.002 0.000 0.303 148 T C -2.950 171.191 174.700 -0.932 0.000 1.142 148 T CA -1.695 60.205 62.100 -0.333 0.000 1.007 148 T CB 2.250 71.009 68.868 -0.183 0.000 1.156 148 T HN 0.115 nan 8.240 nan 0.000 0.490 149 P HA 0.328 nan 4.420 nan 0.000 0.278 149 P C 0.283 177.178 177.300 -0.675 0.000 1.238 149 P CA -0.646 61.605 63.100 -1.415 0.000 0.794 149 P CB 1.911 32.956 31.700 -1.091 0.000 0.955 150 R N 1.828 121.997 120.500 -0.552 0.000 2.075 150 R HA -0.001 4.338 4.340 -0.002 0.000 0.226 150 R C -0.008 175.969 176.300 -0.538 0.000 1.114 150 R CA 1.129 56.928 56.100 -0.502 0.000 0.972 150 R CB -0.029 29.971 30.300 -0.500 0.000 0.869 150 R HN 0.460 nan 8.270 nan 0.000 0.437 151 Y N -1.730 118.500 120.300 -0.117 0.000 2.468 151 Y HA 0.452 5.001 4.550 -0.001 0.000 0.342 151 Y C 0.607 176.515 175.900 0.012 0.000 1.021 151 Y CA -0.614 57.473 58.100 -0.021 0.000 1.079 151 Y CB 2.057 40.536 38.460 0.032 0.000 1.226 151 Y HN -0.001 nan 8.280 nan 0.000 0.460 152 A N 2.006 124.977 122.820 0.251 0.000 2.132 152 A HA -0.025 4.294 4.320 -0.002 0.000 0.213 152 A C 0.113 177.839 177.584 0.236 0.000 1.154 152 A CA 0.210 52.365 52.037 0.197 0.000 0.753 152 A CB 0.058 19.169 19.000 0.184 0.000 0.826 152 A HN 0.700 nan 8.150 nan 0.000 0.469 153 W N 1.816 123.183 121.300 0.111 0.000 2.282 153 W HA 0.531 5.190 4.660 -0.002 0.000 0.322 153 W C -1.053 175.523 176.519 0.095 0.000 1.011 153 W CA -0.614 56.769 57.345 0.062 0.000 1.392 153 W CB 0.321 29.769 29.460 -0.020 0.000 1.215 153 W HN 0.088 nan 8.180 nan 0.000 0.394 154 R N 4.272 124.840 120.500 0.112 0.000 2.487 154 R HA 0.275 4.614 4.340 -0.002 0.000 0.288 154 R C -0.227 176.244 176.300 0.285 0.000 1.394 154 R CA -0.222 56.010 56.100 0.220 0.000 1.155 154 R CB 1.418 31.807 30.300 0.149 0.000 1.156 154 R HN 0.324 nan 8.270 nan 0.000 0.553 155 S N 0.517 116.433 115.700 0.360 0.000 2.677 155 S HA 0.910 5.379 4.470 -0.002 0.000 0.304 155 S C -0.597 174.116 174.600 0.188 0.000 1.108 155 S CA -0.935 57.416 58.200 0.251 0.000 0.944 155 S CB 2.410 65.645 63.200 0.057 0.000 1.127 155 S HN 0.499 nan 8.310 nan 0.000 0.511 156 A N 1.309 124.079 122.820 -0.083 0.000 2.393 156 A HA 0.762 5.081 4.320 -0.002 0.000 0.306 156 A C -0.822 176.722 177.584 -0.068 0.000 1.050 156 A CA -0.742 51.165 52.037 -0.216 0.000 0.724 156 A CB 1.537 20.201 19.000 -0.561 0.000 1.248 156 A HN 0.975 nan 8.150 nan 0.000 0.424 157 M N 2.603 122.125 119.600 -0.130 0.000 2.436 157 M HA 0.700 5.179 4.480 -0.002 0.000 0.331 157 M C -2.065 174.000 176.300 -0.392 0.000 1.135 157 M CA -1.022 54.106 55.300 -0.287 0.000 0.987 157 M CB 1.552 33.830 32.600 -0.537 0.000 1.687 157 M HN 0.694 nan 8.290 nan 0.000 0.445 158 L N 4.496 125.491 121.223 -0.380 0.000 2.356 158 L HA 0.468 4.807 4.340 -0.002 0.000 0.277 158 L C -1.178 175.479 176.870 -0.355 0.000 0.996 158 L CA -0.132 54.441 54.840 -0.445 0.000 0.822 158 L CB 1.549 43.362 42.059 -0.409 0.000 1.256 158 L HN 0.646 nan 8.230 nan 0.000 0.413 159 D N 3.674 123.855 120.400 -0.366 0.000 2.365 159 D HA 0.187 4.826 4.640 -0.002 0.000 0.237 159 D C 0.606 176.955 176.300 0.081 0.000 1.190 159 D CA -0.109 53.807 54.000 -0.141 0.000 0.867 159 D CB 1.192 41.922 40.800 -0.117 0.000 1.050 159 D HN 0.394 nan 8.370 nan 0.000 0.491 160 V N 1.333 121.349 119.914 0.170 0.000 3.376 160 V HA 0.211 4.330 4.120 -0.002 0.000 0.313 160 V C 1.255 177.517 176.094 0.280 0.000 1.393 160 V CA 0.024 62.491 62.300 0.279 0.000 1.125 160 V CB 0.097 32.086 31.823 0.277 0.000 1.037 160 V HN 0.315 nan 8.190 nan 0.000 0.440 161 S N 0.775 116.622 115.700 0.245 0.000 2.427 161 S HA 0.109 4.577 4.470 -0.002 0.000 0.224 161 S C 2.016 176.711 174.600 0.158 0.000 1.047 161 S CA 0.570 58.891 58.200 0.201 0.000 0.953 161 S CB -0.052 63.283 63.200 0.226 0.000 0.824 161 S HN 0.482 nan 8.310 nan 0.000 0.502 162 R N 0.988 121.589 120.500 0.169 0.000 2.066 162 R HA 0.173 4.512 4.340 -0.002 0.000 0.232 162 R C 0.093 176.299 176.300 -0.156 0.000 1.131 162 R CA 1.206 57.335 56.100 0.048 0.000 0.955 162 R CB -0.376 30.003 30.300 0.133 0.000 0.851 162 R HN 0.455 nan 8.270 nan 0.000 0.432 163 H N -2.148 117.001 119.070 0.133 0.000 2.689 163 H HA 0.266 4.820 4.556 -0.002 0.000 0.346 163 H C -1.379 173.920 175.328 -0.049 0.000 1.037 163 H CA -0.901 55.145 56.048 -0.003 0.000 1.234 163 H CB 1.374 31.091 29.762 -0.074 0.000 1.572 163 H HN -0.048 nan 8.280 nan 0.000 0.524 164 F N 3.493 123.348 119.950 -0.159 0.000 2.429 164 F HA 0.370 4.896 4.527 -0.002 0.000 0.348 164 F C -1.230 174.325 175.800 -0.409 0.000 1.109 164 F CA -0.419 57.483 58.000 -0.163 0.000 1.232 164 F CB 0.190 39.101 39.000 -0.148 0.000 1.157 164 F HN 0.371 nan 8.300 nan 0.000 0.564 165 F N 3.881 123.313 119.950 -0.863 0.000 2.518 165 F HA 0.525 5.051 4.527 -0.002 0.000 0.323 165 F C 0.707 175.929 175.800 -0.964 0.000 1.129 165 F CA -0.772 56.847 58.000 -0.635 0.000 0.920 165 F CB 1.394 40.222 39.000 -0.285 0.000 1.160 165 F HN 0.673 nan 8.300 nan 0.000 0.440 166 G N 1.457 109.981 108.800 -0.461 0.000 2.683 166 G HA2 0.300 4.259 3.960 -0.002 0.000 0.260 166 G HA3 0.300 4.259 3.960 -0.002 0.000 0.260 166 G C 0.969 175.903 174.900 0.057 0.000 1.238 166 G CA -0.603 44.414 45.100 -0.138 0.000 0.934 166 G HN 0.516 nan 8.290 nan 0.000 0.534 167 V N 0.416 120.409 119.914 0.132 0.000 2.282 167 V HA -0.202 3.917 4.120 -0.002 0.000 0.249 167 V C 2.580 178.629 176.094 -0.075 0.000 1.057 167 V CA 2.459 64.755 62.300 -0.006 0.000 1.032 167 V CB -0.484 31.334 31.823 -0.007 0.000 0.645 167 V HN 0.637 nan 8.190 nan 0.000 0.447 168 D N -0.433 119.938 120.400 -0.048 0.000 2.144 168 D HA -0.145 4.494 4.640 -0.002 0.000 0.199 168 D C 2.233 178.507 176.300 -0.043 0.000 0.984 168 D CA 1.205 55.159 54.000 -0.077 0.000 0.834 168 D CB -0.176 40.601 40.800 -0.038 0.000 0.955 168 D HN 0.599 nan 8.370 nan 0.000 0.465 169 E N 0.121 120.328 120.200 0.012 0.000 2.152 169 E HA -0.073 4.276 4.350 -0.002 0.000 0.192 169 E C 2.222 178.841 176.600 0.032 0.000 0.983 169 E CA 0.350 56.787 56.400 0.061 0.000 0.818 169 E CB 0.249 30.055 29.700 0.177 0.000 0.758 169 E HN 0.083 nan 8.360 nan 0.000 0.467 170 V N 1.587 121.502 119.914 0.001 0.000 2.453 170 V HA -0.222 3.897 4.120 -0.002 0.000 0.247 170 V C 2.051 178.148 176.094 0.004 0.000 1.048 170 V CA 1.573 63.870 62.300 -0.004 0.000 1.049 170 V CB -0.317 31.477 31.823 -0.049 0.000 0.672 170 V HN 0.167 nan 8.190 nan 0.000 0.457 171 K N 0.021 120.354 120.400 -0.111 0.000 2.097 171 K HA -0.214 4.105 4.320 -0.002 0.000 0.206 171 K C 2.360 178.964 176.600 0.008 0.000 1.049 171 K CA 1.612 57.763 56.287 -0.226 0.000 0.933 171 K CB -0.241 31.828 32.500 -0.719 0.000 0.717 171 K HN 0.350 nan 8.250 nan 0.000 0.442 172 R N 0.087 120.597 120.500 0.017 0.000 2.073 172 R HA -0.196 4.143 4.340 -0.002 0.000 0.234 172 R C 2.179 178.558 176.300 0.131 0.000 1.134 172 R CA 1.439 57.588 56.100 0.082 0.000 0.952 172 R CB -0.384 29.960 30.300 0.072 0.000 0.850 172 R HN 0.182 nan 8.270 nan 0.000 0.433 173 Y N 1.041 121.343 120.300 0.003 0.000 2.242 173 Y HA -0.106 4.443 4.550 -0.002 0.000 0.291 173 Y C 1.929 177.854 175.900 0.042 0.000 1.137 173 Y CA 1.455 59.554 58.100 -0.002 0.000 1.181 173 Y CB -0.089 38.310 38.460 -0.102 0.000 0.989 173 Y HN 0.053 nan 8.280 nan 0.000 0.527 174 I N -0.165 120.467 120.570 0.104 0.000 2.208 174 I HA -0.347 3.822 4.170 -0.002 0.000 0.245 174 I C 1.846 178.019 176.117 0.094 0.000 1.097 174 I CA 1.706 63.062 61.300 0.093 0.000 1.363 174 I CB -0.353 37.780 38.000 0.221 0.000 1.051 174 I HN 0.184 nan 8.210 nan 0.000 0.413 175 D N 0.381 120.878 120.400 0.162 0.000 2.178 175 D HA -0.123 4.516 4.640 -0.002 0.000 0.202 175 D C 2.303 178.659 176.300 0.094 0.000 0.974 175 D CA 0.779 54.879 54.000 0.167 0.000 0.841 175 D CB -0.205 40.714 40.800 0.199 0.000 0.953 175 D HN 0.218 nan 8.370 nan 0.000 0.478 176 R N 0.743 121.267 120.500 0.040 0.000 2.073 176 R HA -0.081 4.258 4.340 -0.002 0.000 0.234 176 R C 2.536 178.892 176.300 0.094 0.000 1.134 176 R CA 0.884 57.050 56.100 0.109 0.000 0.952 176 R CB -1.232 29.099 30.300 0.053 0.000 0.850 176 R HN 0.321 nan 8.270 nan 0.000 0.433 177 V N -1.437 118.418 119.914 -0.098 0.000 2.591 177 V HA 0.088 4.207 4.120 -0.002 0.000 0.249 177 V C 2.277 178.498 176.094 0.211 0.000 1.053 177 V CA 1.510 63.826 62.300 0.027 0.000 1.068 177 V CB -0.918 30.737 31.823 -0.281 0.000 0.689 177 V HN 0.153 nan 8.190 nan 0.000 0.462 178 A N 0.727 123.626 122.820 0.130 0.000 2.024 178 A HA -0.175 4.144 4.320 -0.002 0.000 0.220 178 A C 2.347 179.957 177.584 0.042 0.000 1.164 178 A CA 1.880 54.033 52.037 0.193 0.000 0.643 178 A CB -0.665 18.498 19.000 0.271 0.000 0.806 178 A HN 0.610 nan 8.150 nan 0.000 0.451 179 R N -1.914 118.487 120.500 -0.165 0.000 2.159 179 R HA -0.154 4.185 4.340 -0.002 0.000 0.237 179 R C 0.427 176.281 176.300 -0.742 0.000 1.131 179 R CA 1.543 57.319 56.100 -0.541 0.000 0.982 179 R CB -0.277 29.494 30.300 -0.881 0.000 0.868 179 R HN 0.708 nan 8.270 nan 0.000 0.453 180 Y N -0.106 120.249 120.300 0.091 0.000 2.658 180 Y HA 0.269 4.818 4.550 -0.002 0.000 0.276 180 Y C 0.021 175.803 175.900 -0.196 0.000 1.167 180 Y CA -0.687 57.392 58.100 -0.036 0.000 1.230 180 Y CB 0.118 38.602 38.460 0.039 0.000 1.144 180 Y HN -0.117 nan 8.280 nan 0.000 0.529 181 K N -1.635 118.717 120.400 -0.079 0.000 3.230 181 K HA -0.258 4.061 4.320 -0.002 0.000 0.285 181 K C -0.841 175.760 176.600 0.001 0.000 1.196 181 K CA 0.371 56.556 56.287 -0.170 0.000 0.838 181 K CB -2.189 29.884 32.500 -0.711 0.000 1.262 181 K HN 0.323 nan 8.250 nan 0.000 0.492 182 Y N 1.680 122.046 120.300 0.110 0.000 2.480 182 Y HA -0.013 4.536 4.550 -0.001 0.000 0.338 182 Y C 1.716 177.687 175.900 0.118 0.000 1.220 182 Y CA 0.756 58.924 58.100 0.113 0.000 1.430 182 Y CB 0.373 38.886 38.460 0.089 0.000 1.311 182 Y HN 0.258 nan 8.280 nan 0.000 0.575 183 N N -0.033 118.806 118.700 0.232 0.000 2.143 183 N HA 0.130 4.869 4.740 -0.002 0.000 0.222 183 N C -1.008 174.500 175.510 -0.004 0.000 1.264 183 N CA -0.200 52.939 53.050 0.148 0.000 0.897 183 N CB 0.526 39.120 38.487 0.178 0.000 1.092 183 N HN 0.445 nan 8.380 nan 0.000 0.516 184 K N 0.414 120.779 120.400 -0.058 0.000 2.468 184 K HA 0.404 4.723 4.320 -0.002 0.000 0.252 184 K C -1.860 174.691 176.600 -0.082 0.000 0.932 184 K CA -0.790 55.381 56.287 -0.193 0.000 0.794 184 K CB 2.647 34.780 32.500 -0.610 0.000 1.241 184 K HN -0.021 nan 8.250 nan 0.000 0.428 185 L N 3.176 124.372 121.223 -0.044 0.000 2.318 185 L HA 0.292 4.631 4.340 -0.002 0.000 0.277 185 L C -0.854 176.071 176.870 0.092 0.000 1.008 185 L CA -0.246 54.602 54.840 0.013 0.000 0.846 185 L CB 0.730 42.794 42.059 0.007 0.000 1.220 185 L HN 0.663 nan 8.230 nan 0.000 0.423 186 H N 5.954 125.022 119.070 -0.004 0.000 2.668 186 H HA 0.429 4.984 4.556 -0.002 0.000 0.303 186 H C -1.275 174.050 175.328 -0.004 0.000 1.074 186 H CA -0.787 55.277 56.048 0.027 0.000 1.406 186 H CB 0.814 30.606 29.762 0.050 0.000 1.442 186 H HN 0.596 nan 8.280 nan 0.000 0.482 187 L N 5.832 127.187 121.223 0.220 0.000 2.280 187 L HA 0.110 4.449 4.340 -0.002 0.000 0.287 187 L C -0.310 176.596 176.870 0.059 0.000 1.023 187 L CA -0.777 54.110 54.840 0.078 0.000 0.819 187 L CB 1.207 43.371 42.059 0.175 0.000 1.212 187 L HN 0.721 nan 8.230 nan 0.000 0.420 188 H N 4.041 122.994 119.070 -0.194 0.000 3.014 188 H HA 0.224 4.778 4.556 -0.002 0.000 0.266 188 H C 0.732 176.041 175.328 -0.032 0.000 1.455 188 H CA -0.049 55.918 56.048 -0.134 0.000 1.402 188 H CB 0.404 30.035 29.762 -0.218 0.000 1.626 188 H HN 0.564 nan 8.280 nan 0.000 0.520 189 L N 2.336 123.467 121.223 -0.153 0.000 2.478 189 L HA 0.049 4.388 4.340 -0.002 0.000 0.223 189 L C 0.427 177.068 176.870 -0.382 0.000 1.140 189 L CA 0.413 55.149 54.840 -0.174 0.000 0.842 189 L CB -0.158 41.784 42.059 -0.195 0.000 0.953 189 L HN 0.525 nan 8.230 nan 0.000 0.452 190 S N -2.610 112.805 115.700 -0.475 0.000 2.537 190 S HA 0.616 5.085 4.470 -0.002 0.000 0.270 190 S C -1.043 173.434 174.600 -0.204 0.000 1.142 190 S CA -0.961 56.989 58.200 -0.416 0.000 0.870 190 S CB 3.280 65.998 63.200 -0.804 0.000 1.112 190 S HN 0.049 nan 8.310 nan 0.000 0.466 191 D N -0.526 119.899 120.400 0.042 0.000 3.435 191 D HA 0.226 4.865 4.640 -0.002 0.000 0.352 191 D C -0.495 175.922 176.300 0.196 0.000 1.460 191 D CA -0.367 53.739 54.000 0.177 0.000 0.935 191 D CB 1.046 42.021 40.800 0.292 0.000 1.468 191 D HN 0.490 nan 8.370 nan 0.000 0.573 192 D N -0.187 120.336 120.400 0.205 0.000 2.183 192 D HA -0.092 4.547 4.640 -0.002 0.000 0.203 192 D C 1.212 177.697 176.300 0.308 0.000 0.969 192 D CA 1.271 55.392 54.000 0.202 0.000 0.842 192 D CB 0.253 41.131 40.800 0.131 0.000 0.957 192 D HN 0.217 nan 8.370 nan 0.000 0.484 193 Q N -0.156 119.811 119.800 0.278 0.000 2.403 193 Q HA 0.353 4.692 4.340 -0.002 0.000 0.203 193 Q C 0.569 176.632 176.000 0.105 0.000 0.932 193 Q CA 0.029 55.938 55.803 0.177 0.000 0.945 193 Q CB 1.343 30.130 28.738 0.081 0.000 1.045 193 Q HN 0.136 nan 8.270 nan 0.000 0.511 194 G N -0.963 107.923 108.800 0.142 0.000 2.404 194 G HA2 0.259 4.218 3.960 -0.002 0.000 0.298 194 G HA3 0.259 4.218 3.960 -0.002 0.000 0.298 194 G C -2.446 172.562 174.900 0.181 0.000 1.577 194 G CA -0.886 44.291 45.100 0.128 0.000 0.847 194 G HN 0.076 nan 8.290 nan 0.000 0.598 195 W N 2.885 124.192 121.300 0.012 0.000 2.475 195 W HA 0.525 5.184 4.660 -0.002 0.000 0.320 195 W C -0.423 176.091 176.519 -0.008 0.000 1.022 195 W CA -0.997 56.359 57.345 0.017 0.000 1.240 195 W CB 1.682 31.157 29.460 0.023 0.000 1.328 195 W HN 0.454 nan 8.180 nan 0.000 0.439 196 R N 5.011 125.380 120.500 -0.218 0.000 2.468 196 R HA 0.175 4.514 4.340 -0.002 0.000 0.280 196 R C -0.461 175.858 176.300 0.032 0.000 0.963 196 R CA -0.403 55.654 56.100 -0.073 0.000 1.083 196 R CB 0.234 30.511 30.300 -0.038 0.000 1.200 196 R HN 0.377 nan 8.270 nan 0.000 0.541 197 I N 0.129 120.713 120.570 0.023 0.000 2.478 197 I HA 0.421 4.590 4.170 -0.002 0.000 0.287 197 I C -0.814 175.484 176.117 0.302 0.000 1.042 197 I CA -1.270 60.129 61.300 0.165 0.000 1.067 197 I CB 1.792 39.761 38.000 -0.051 0.000 1.233 197 I HN 0.099 nan 8.210 nan 0.000 0.431 198 A N 8.145 131.119 122.820 0.257 0.000 2.524 198 A HA 0.481 4.800 4.320 -0.002 0.000 0.250 198 A C -0.417 177.268 177.584 0.168 0.000 1.078 198 A CA 0.160 52.292 52.037 0.159 0.000 0.761 198 A CB -0.322 18.796 19.000 0.197 0.000 1.012 198 A HN 0.538 nan 8.150 nan 0.000 0.500 199 I N 3.511 124.173 120.570 0.153 0.000 2.382 199 I HA 0.155 4.324 4.170 -0.002 0.000 0.285 199 I C 0.160 176.347 176.117 0.117 0.000 1.007 199 I CA -0.439 60.945 61.300 0.141 0.000 1.142 199 I CB 1.146 39.237 38.000 0.152 0.000 1.289 199 I HN 0.699 nan 8.210 nan 0.000 0.453 200 D N 3.147 123.602 120.400 0.091 0.000 2.104 200 D HA -0.173 4.466 4.640 -0.002 0.000 0.194 200 D C 1.967 178.294 176.300 0.045 0.000 0.994 200 D CA 1.819 55.858 54.000 0.064 0.000 0.830 200 D CB 0.201 41.030 40.800 0.049 0.000 0.959 200 D HN 0.605 nan 8.370 nan 0.000 0.452 201 S N -1.019 114.722 115.700 0.070 0.000 2.442 201 S HA -0.156 4.313 4.470 -0.002 0.000 0.236 201 S C 0.528 174.994 174.600 -0.224 0.000 1.007 201 S CA 0.456 58.644 58.200 -0.020 0.000 0.965 201 S CB -0.390 62.874 63.200 0.107 0.000 0.773 201 S HN 0.272 nan 8.310 nan 0.000 0.504 202 W N 1.263 122.517 121.300 -0.077 0.000 2.036 202 W HA 0.483 5.142 4.660 -0.002 0.000 0.294 202 W C -2.552 173.987 176.519 0.034 0.000 0.948 202 W CA -2.277 55.012 57.345 -0.094 0.000 1.774 202 W CB 0.706 30.013 29.460 -0.255 0.000 1.950 202 W HN 0.070 nan 8.180 nan 0.000 0.384 203 P HA -0.251 nan 4.420 nan 0.000 0.218 203 P C 1.561 178.912 177.300 0.085 0.000 1.154 203 P CA 2.194 65.357 63.100 0.105 0.000 0.872 203 P CB 0.325 32.062 31.700 0.062 0.000 0.790 204 R N -1.055 119.544 120.500 0.165 0.000 2.189 204 R HA -0.006 4.333 4.340 -0.002 0.000 0.223 204 R C 2.262 178.586 176.300 0.039 0.000 1.092 204 R CA 0.657 56.760 56.100 0.005 0.000 0.989 204 R CB -0.784 29.294 30.300 -0.370 0.000 0.876 204 R HN 0.266 nan 8.270 nan 0.000 0.457 205 L N -0.076 121.196 121.223 0.081 0.000 2.012 205 L HA -0.235 4.104 4.340 -0.002 0.000 0.210 205 L C 2.573 179.348 176.870 -0.158 0.000 1.073 205 L CA 1.657 56.358 54.840 -0.233 0.000 0.748 205 L CB -0.546 41.012 42.059 -0.834 0.000 0.891 205 L HN 0.259 nan 8.230 nan 0.000 0.431 206 A N -0.100 122.607 122.820 -0.187 0.000 1.861 206 A HA -0.133 4.186 4.320 -0.002 0.000 0.212 206 A C 2.427 179.724 177.584 -0.478 0.000 1.199 206 A CA 1.574 53.341 52.037 -0.450 0.000 0.613 206 A CB -0.933 17.503 19.000 -0.941 0.000 0.846 206 A HN 0.476 nan 8.150 nan 0.000 0.446 207 T N -3.738 110.645 114.554 -0.284 0.000 2.788 207 T HA -0.186 4.163 4.350 -0.002 0.000 0.268 207 T C 1.761 176.496 174.700 0.057 0.000 1.044 207 T CA 1.764 63.833 62.100 -0.051 0.000 1.139 207 T CB -0.375 68.499 68.868 0.009 0.000 0.867 207 T HN 0.450 nan 8.240 nan 0.000 0.454 208 Y N 1.420 121.668 120.300 -0.086 0.000 2.472 208 Y HA 0.471 5.020 4.550 -0.002 0.000 0.288 208 Y C 2.672 178.556 175.900 -0.027 0.000 1.154 208 Y CA 0.319 58.381 58.100 -0.064 0.000 1.238 208 Y CB -0.402 37.990 38.460 -0.113 0.000 1.287 208 Y HN 0.191 nan 8.280 nan 0.000 0.524 209 G N -0.649 108.175 108.800 0.040 0.000 2.470 209 G HA2 -0.160 3.798 3.960 -0.002 0.000 0.220 209 G HA3 -0.160 3.798 3.960 -0.002 0.000 0.220 209 G C 1.542 176.469 174.900 0.045 0.000 1.121 209 G CA 0.835 45.961 45.100 0.043 0.000 0.766 209 G HN 0.560 nan 8.290 nan 0.000 0.553 210 G N 0.258 109.070 108.800 0.020 0.000 3.233 210 G HA2 0.194 4.153 3.960 -0.002 0.000 0.234 210 G HA3 0.194 4.153 3.960 -0.002 0.000 0.234 210 G C 1.708 176.591 174.900 -0.029 0.000 1.137 210 G CA 0.946 46.063 45.100 0.028 0.000 0.763 210 G HN 0.501 nan 8.290 nan 0.000 0.549 211 S N -0.936 114.710 115.700 -0.089 0.000 2.507 211 S HA 0.102 4.571 4.470 -0.002 0.000 0.235 211 S C 1.018 175.549 174.600 -0.115 0.000 0.988 211 S CA 1.103 59.240 58.200 -0.105 0.000 0.944 211 S CB 0.087 63.184 63.200 -0.171 0.000 0.762 211 S HN 0.267 nan 8.310 nan 0.000 0.526 212 T N 0.366 114.848 114.554 -0.119 0.000 2.647 212 T HA 0.593 4.941 4.350 -0.002 0.000 0.295 212 T C -1.953 172.698 174.700 -0.081 0.000 1.126 212 T CA -0.439 61.601 62.100 -0.099 0.000 1.040 212 T CB 1.776 70.576 68.868 -0.114 0.000 1.472 212 T HN 0.607 nan 8.240 nan 0.000 0.500 213 E N -0.614 119.529 120.200 -0.095 0.000 2.415 213 E HA 0.546 4.895 4.350 -0.002 0.000 0.271 213 E C -1.339 175.138 176.600 -0.205 0.000 1.094 213 E CA -1.006 55.316 56.400 -0.130 0.000 0.881 213 E CB 0.706 30.329 29.700 -0.129 0.000 1.581 213 E HN 0.368 nan 8.360 nan 0.000 0.460 214 V N 1.076 120.780 119.914 -0.350 0.000 2.644 214 V HA 0.245 4.364 4.120 -0.002 0.000 0.305 214 V C 1.461 177.423 176.094 -0.220 0.000 1.053 214 V CA 2.186 64.279 62.300 -0.346 0.000 1.186 214 V CB 0.123 31.673 31.823 -0.455 0.000 0.895 214 V HN 1.041 nan 8.190 nan 0.000 0.490 215 G N 3.082 111.799 108.800 -0.138 0.000 2.199 215 G HA2 0.065 4.023 3.960 -0.002 0.000 0.254 215 G HA3 0.065 4.023 3.960 -0.002 0.000 0.254 215 G C 1.018 175.883 174.900 -0.058 0.000 0.982 215 G CA 0.297 45.364 45.100 -0.055 0.000 0.632 215 G HN 2.441 nan 8.290 nan 0.000 0.529 216 G N -1.234 107.514 108.800 -0.087 0.000 2.725 216 G HA2 0.474 4.433 3.960 -0.002 0.000 0.220 216 G HA3 0.474 4.433 3.960 -0.002 0.000 0.220 216 G C 1.138 176.010 174.900 -0.046 0.000 1.357 216 G CA 1.120 46.177 45.100 -0.071 0.000 0.866 216 G HN 2.725 nan 8.290 nan 0.000 0.548 217 G N -1.232 107.543 108.800 -0.042 0.000 2.681 217 G HA2 0.242 4.201 3.960 -0.002 0.000 0.220 217 G HA3 0.242 4.201 3.960 -0.002 0.000 0.220 217 G C -2.168 172.710 174.900 -0.037 0.000 1.353 217 G CA 0.414 45.496 45.100 -0.030 0.000 0.872 217 G HN 1.419 nan 8.290 nan 0.000 0.557 218 P HA 0.394 nan 4.420 nan 0.000 0.269 218 P C 0.859 178.134 177.300 -0.042 0.000 1.209 218 P CA 0.926 64.004 63.100 -0.036 0.000 0.776 218 P CB 0.962 32.648 31.700 -0.024 0.000 0.876 219 G N 0.896 109.651 108.800 -0.075 0.000 2.727 219 G HA2 0.655 4.614 3.960 -0.002 0.000 0.212 219 G HA3 0.655 4.614 3.960 -0.002 0.000 0.212 219 G C 0.081 174.833 174.900 -0.246 0.000 2.076 219 G CA -0.013 45.026 45.100 -0.102 0.000 0.744 219 G HN 0.841 nan 8.290 nan 0.000 0.775 220 G N -2.115 106.401 108.800 -0.474 0.000 2.351 220 G HA2 0.558 4.517 3.960 -0.002 0.000 0.353 220 G HA3 0.558 4.517 3.960 -0.002 0.000 0.353 220 G C -1.157 172.949 174.900 -1.323 0.000 1.358 220 G CA 0.065 44.527 45.100 -1.063 0.000 0.995 220 G HN 1.948 nan 8.290 nan 0.000 0.611 221 Y N -2.586 116.890 120.300 -1.373 0.000 2.732 221 Y HA 0.706 5.254 4.550 -0.002 0.000 0.342 221 Y C -1.824 173.882 175.900 -0.323 0.000 1.203 221 Y CA -2.263 55.361 58.100 -0.795 0.000 1.092 221 Y CB 0.406 38.689 38.460 -0.295 0.000 1.345 221 Y HN 0.834 nan 8.280 nan 0.000 0.458 222 Y N 1.434 121.957 120.300 0.371 0.000 2.320 222 Y HA 0.549 5.098 4.550 -0.002 0.000 0.334 222 Y C 0.947 177.073 175.900 0.377 0.000 1.055 222 Y CA -0.737 57.563 58.100 0.334 0.000 1.143 222 Y CB 1.394 40.084 38.460 0.383 0.000 1.193 222 Y HN 0.791 nan 8.280 nan 0.000 0.477 223 T N -0.511 114.296 114.554 0.421 0.000 2.754 223 T HA 0.173 4.522 4.350 -0.002 0.000 0.286 223 T C 1.194 176.089 174.700 0.325 0.000 0.997 223 T CA -0.885 61.432 62.100 0.362 0.000 0.982 223 T CB 0.854 69.869 68.868 0.244 0.000 1.027 223 T HN 0.483 nan 8.240 nan 0.000 0.529 224 K N 0.590 121.140 120.400 0.249 0.000 2.063 224 K HA -0.079 4.240 4.320 -0.002 0.000 0.208 224 K C 2.604 179.335 176.600 0.219 0.000 1.048 224 K CA 1.572 57.993 56.287 0.224 0.000 0.928 224 K CB -1.276 31.319 32.500 0.159 0.000 0.713 224 K HN 0.755 nan 8.250 nan 0.000 0.442 225 A N 1.783 124.706 122.820 0.171 0.000 1.902 225 A HA -0.207 4.112 4.320 -0.002 0.000 0.217 225 A C 2.126 179.783 177.584 0.122 0.000 1.181 225 A CA 1.687 53.800 52.037 0.127 0.000 0.623 225 A CB -0.441 18.620 19.000 0.102 0.000 0.818 225 A HN 0.405 nan 8.150 nan 0.000 0.443 226 E N -1.805 118.493 120.200 0.164 0.000 2.077 226 E HA -0.209 4.140 4.350 -0.002 0.000 0.193 226 E C 1.903 178.541 176.600 0.063 0.000 0.989 226 E CA 1.437 57.919 56.400 0.137 0.000 0.800 226 E CB -0.309 29.546 29.700 0.257 0.000 0.746 226 E HN 0.765 nan 8.360 nan 0.000 0.452 227 Y N 1.936 122.257 120.300 0.034 0.000 2.181 227 Y HA -0.208 4.341 4.550 -0.002 0.000 0.288 227 Y C 1.899 177.777 175.900 -0.037 0.000 1.146 227 Y CA 1.595 59.666 58.100 -0.048 0.000 1.164 227 Y CB 0.083 38.584 38.460 0.067 0.000 0.982 227 Y HN -0.160 nan 8.280 nan 0.000 0.515 228 K N -0.358 120.061 120.400 0.031 0.000 2.103 228 K HA -0.243 4.076 4.320 -0.002 0.000 0.207 228 K C 2.018 178.557 176.600 -0.102 0.000 1.048 228 K CA 1.641 57.905 56.287 -0.039 0.000 0.930 228 K CB -0.184 32.345 32.500 0.049 0.000 0.716 228 K HN 0.222 nan 8.250 nan 0.000 0.444 229 E N 1.508 121.666 120.200 -0.070 0.000 2.106 229 E HA -0.125 4.223 4.350 -0.002 0.000 0.192 229 E C 1.696 178.236 176.600 -0.100 0.000 0.984 229 E CA 1.126 57.491 56.400 -0.058 0.000 0.806 229 E CB -0.155 29.526 29.700 -0.031 0.000 0.750 229 E HN 0.254 nan 8.360 nan 0.000 0.458 230 I N -0.366 120.078 120.570 -0.211 0.000 2.179 230 I HA -0.247 3.922 4.170 -0.002 0.000 0.242 230 I C 2.185 178.170 176.117 -0.220 0.000 1.088 230 I CA 0.839 61.993 61.300 -0.244 0.000 1.357 230 I CB -0.200 37.547 38.000 -0.422 0.000 1.051 230 I HN 0.051 nan 8.210 nan 0.000 0.409 231 V N 0.835 120.539 119.914 -0.351 0.000 2.343 231 V HA -0.300 3.818 4.120 -0.002 0.000 0.247 231 V C 2.627 178.626 176.094 -0.158 0.000 1.051 231 V CA 1.944 64.076 62.300 -0.280 0.000 1.036 231 V CB -0.821 30.814 31.823 -0.314 0.000 0.654 231 V HN 0.428 nan 8.190 nan 0.000 0.451 232 R N -1.069 119.362 120.500 -0.116 0.000 2.073 232 R HA -0.225 4.114 4.340 -0.002 0.000 0.234 232 R C 2.390 178.647 176.300 -0.072 0.000 1.134 232 R CA 2.195 58.245 56.100 -0.083 0.000 0.952 232 R CB -0.488 29.788 30.300 -0.041 0.000 0.850 232 R HN 0.569 nan 8.270 nan 0.000 0.433 233 Y N 0.702 120.918 120.300 -0.141 0.000 2.181 233 Y HA -0.185 4.364 4.550 -0.002 0.000 0.288 233 Y C 2.173 177.983 175.900 -0.151 0.000 1.146 233 Y CA 1.712 59.739 58.100 -0.121 0.000 1.164 233 Y CB -0.369 38.037 38.460 -0.089 0.000 0.982 233 Y HN 0.232 nan 8.280 nan 0.000 0.515 234 A N 0.278 123.076 122.820 -0.037 0.000 1.902 234 A HA -0.163 4.156 4.320 -0.002 0.000 0.217 234 A C 2.419 179.845 177.584 -0.265 0.000 1.181 234 A CA 1.964 53.930 52.037 -0.119 0.000 0.623 234 A CB -1.515 17.433 19.000 -0.087 0.000 0.818 234 A HN 0.572 nan 8.150 nan 0.000 0.443 235 A N 0.371 123.031 122.820 -0.267 0.000 1.940 235 A HA -0.119 4.200 4.320 -0.002 0.000 0.219 235 A C 2.479 179.706 177.584 -0.595 0.000 1.176 235 A CA 2.395 54.218 52.037 -0.357 0.000 0.631 235 A CB -1.018 17.828 19.000 -0.256 0.000 0.814 235 A HN 1.091 nan 8.150 nan 0.000 0.446 236 S N -1.030 114.349 115.700 -0.535 0.000 2.447 236 S HA -0.071 4.398 4.470 -0.002 0.000 0.233 236 S C 1.529 175.588 174.600 -0.903 0.000 1.006 236 S CA 1.237 59.056 58.200 -0.635 0.000 0.957 236 S CB -0.197 62.728 63.200 -0.458 0.000 0.773 236 S HN 0.411 nan 8.310 nan 0.000 0.507 237 R N 0.508 120.518 120.500 -0.818 0.000 2.466 237 R HA 0.305 4.644 4.340 -0.002 0.000 0.279 237 R C -0.346 175.471 176.300 -0.805 0.000 0.976 237 R CA -0.211 55.380 56.100 -0.849 0.000 1.081 237 R CB -0.771 29.336 30.300 -0.321 0.000 1.215 237 R HN 0.490 nan 8.270 nan 0.000 0.546 238 H N -0.455 118.177 119.070 -0.731 0.000 2.692 238 H HA -0.207 4.348 4.556 -0.002 0.000 0.316 238 H C -0.790 174.419 175.328 -0.200 0.000 1.176 238 H CA 0.756 56.530 56.048 -0.457 0.000 1.142 238 H CB -1.576 27.850 29.762 -0.561 0.000 1.475 238 H HN 0.167 nan 8.280 nan 0.000 0.423 239 L N 1.112 122.245 121.223 -0.150 0.000 2.325 239 L HA 0.260 4.598 4.340 -0.002 0.000 0.281 239 L C 0.738 177.557 176.870 -0.086 0.000 1.004 239 L CA -0.251 54.550 54.840 -0.064 0.000 0.823 239 L CB 2.222 44.253 42.059 -0.047 0.000 1.236 239 L HN 0.188 nan 8.230 nan 0.000 0.415 240 E N 3.056 123.218 120.200 -0.063 0.000 2.223 240 E HA 0.262 4.610 4.350 -0.002 0.000 0.282 240 E C -0.981 175.597 176.600 -0.037 0.000 1.046 240 E CA -0.648 55.724 56.400 -0.047 0.000 0.857 240 E CB 1.330 31.018 29.700 -0.019 0.000 1.055 240 E HN 0.302 nan 8.360 nan 0.000 0.409 241 V N 5.430 125.334 119.914 -0.017 0.000 2.508 241 V HA 0.068 4.187 4.120 -0.002 0.000 0.281 241 V C -0.047 176.108 176.094 0.101 0.000 1.041 241 V CA -0.366 61.947 62.300 0.021 0.000 1.016 241 V CB 1.263 33.072 31.823 -0.025 0.000 0.984 241 V HN 0.499 nan 8.190 nan 0.000 0.478 242 V N 8.733 128.726 119.914 0.132 0.000 2.275 242 V HA 0.312 4.431 4.120 -0.002 0.000 0.272 242 V C -1.991 174.244 176.094 0.235 0.000 1.028 242 V CA -1.546 60.868 62.300 0.190 0.000 0.810 242 V CB 1.398 33.316 31.823 0.158 0.000 1.043 242 V HN 0.747 nan 8.190 nan 0.000 0.453 243 P HA 0.311 nan 4.420 nan 0.000 0.278 243 P C -0.684 176.715 177.300 0.166 0.000 1.238 243 P CA -0.295 62.934 63.100 0.214 0.000 0.794 243 P CB 1.766 33.576 31.700 0.183 0.000 0.955 244 E N 2.330 122.598 120.200 0.114 0.000 2.234 244 E HA 0.420 4.769 4.350 -0.002 0.000 0.266 244 E C -1.174 175.363 176.600 -0.106 0.000 0.877 244 E CA -0.724 55.707 56.400 0.052 0.000 0.758 244 E CB 1.132 30.877 29.700 0.076 0.000 1.170 244 E HN 0.269 nan 8.360 nan 0.000 0.415 245 I N 4.117 124.648 120.570 -0.064 0.000 2.437 245 I HA 0.181 4.350 4.170 -0.002 0.000 0.279 245 I C -0.270 175.854 176.117 0.012 0.000 1.028 245 I CA -0.700 60.514 61.300 -0.143 0.000 1.142 245 I CB 1.064 39.005 38.000 -0.098 0.000 1.266 245 I HN 0.581 nan 8.210 nan 0.000 0.461 246 D N 8.555 128.944 120.400 -0.018 0.000 2.425 246 D HA 0.436 5.075 4.640 -0.002 0.000 0.247 246 D C -0.277 176.142 176.300 0.197 0.000 1.147 246 D CA 0.419 54.509 54.000 0.149 0.000 0.879 246 D CB 0.725 41.609 40.800 0.140 0.000 1.179 246 D HN 0.512 nan 8.370 nan 0.000 0.456 247 M N 1.901 121.652 119.600 0.252 0.000 2.562 247 M HA 0.359 4.838 4.480 -0.002 0.000 0.281 247 M C -2.728 173.702 176.300 0.217 0.000 1.195 247 M CA -1.388 54.039 55.300 0.211 0.000 0.888 247 M CB 2.867 35.667 32.600 0.333 0.000 1.731 247 M HN -0.126 nan 8.290 nan 0.000 0.493 248 P HA 0.152 nan 4.420 nan 0.000 0.245 248 P C 0.572 177.755 177.300 -0.195 0.000 1.206 248 P CA 0.719 63.546 63.100 -0.456 0.000 0.781 248 P CB 0.291 31.319 31.700 -1.121 0.000 0.994 249 G N -0.729 108.031 108.800 -0.067 0.000 2.557 249 G HA2 0.152 4.110 3.960 -0.002 0.000 0.292 249 G HA3 0.152 4.110 3.960 -0.002 0.000 0.292 249 G C -0.140 174.728 174.900 -0.053 0.000 1.237 249 G CA -0.273 44.740 45.100 -0.144 0.000 0.978 249 G HN 0.251 nan 8.290 nan 0.000 0.498 250 H N -1.382 117.545 119.070 -0.238 0.000 2.713 250 H HA -0.178 4.377 4.556 -0.002 0.000 0.311 250 H C 1.208 176.489 175.328 -0.078 0.000 1.175 250 H CA 1.292 57.225 56.048 -0.193 0.000 1.143 250 H CB -1.778 27.932 29.762 -0.087 0.000 1.434 250 H HN 0.651 nan 8.280 nan 0.000 0.418 251 T N -4.528 110.000 114.554 -0.042 0.000 3.132 251 T HA 0.066 4.415 4.350 -0.002 0.000 0.274 251 T C 1.368 176.093 174.700 0.043 0.000 1.011 251 T CA 0.254 62.388 62.100 0.056 0.000 0.899 251 T CB 0.308 69.189 68.868 0.021 0.000 1.089 251 T HN 0.230 nan 8.240 nan 0.000 0.543 252 N N 2.385 121.086 118.700 0.002 0.000 2.137 252 N HA -0.096 4.643 4.740 -0.002 0.000 0.190 252 N C 2.100 177.688 175.510 0.130 0.000 1.017 252 N CA 1.629 54.719 53.050 0.066 0.000 0.859 252 N CB -0.478 38.090 38.487 0.133 0.000 1.002 252 N HN 0.533 nan 8.380 nan 0.000 0.428 253 A N 0.189 123.122 122.820 0.188 0.000 1.883 253 A HA -0.061 4.258 4.320 -0.002 0.000 0.217 253 A C 2.339 180.034 177.584 0.184 0.000 1.186 253 A CA 2.062 54.230 52.037 0.220 0.000 0.624 253 A CB -1.299 17.893 19.000 0.321 0.000 0.822 253 A HN 0.456 nan 8.150 nan 0.000 0.444 254 A N -0.446 122.479 122.820 0.175 0.000 1.898 254 A HA 0.042 4.361 4.320 -0.002 0.000 0.216 254 A C 2.152 179.684 177.584 -0.088 0.000 1.181 254 A CA 1.369 53.374 52.037 -0.054 0.000 0.620 254 A CB -0.580 18.337 19.000 -0.138 0.000 0.819 254 A HN 0.468 nan 8.150 nan 0.000 0.442 255 L N -0.757 120.428 121.223 -0.064 0.000 2.131 255 L HA -0.170 4.169 4.340 -0.002 0.000 0.210 255 L C 2.938 179.817 176.870 0.015 0.000 1.092 255 L CA 1.012 55.815 54.840 -0.062 0.000 0.759 255 L CB -0.485 41.545 42.059 -0.049 0.000 0.903 255 L HN 0.430 nan 8.230 nan 0.000 0.435 256 A N -1.061 121.807 122.820 0.079 0.000 2.066 256 A HA -0.086 4.233 4.320 -0.002 0.000 0.218 256 A C 2.431 180.121 177.584 0.178 0.000 1.157 256 A CA 1.488 53.616 52.037 0.152 0.000 0.670 256 A CB -0.248 18.876 19.000 0.207 0.000 0.804 256 A HN 0.352 nan 8.150 nan 0.000 0.453 257 S N -1.884 113.889 115.700 0.121 0.000 2.425 257 S HA 0.138 4.607 4.470 -0.002 0.000 0.225 257 S C -0.346 173.991 174.600 -0.438 0.000 1.024 257 S CA 0.471 58.642 58.200 -0.047 0.000 0.951 257 S CB -0.149 63.078 63.200 0.045 0.000 0.796 257 S HN 0.563 nan 8.310 nan 0.000 0.498 258 Y N -0.007 120.256 120.300 -0.062 0.000 2.349 258 Y HA 0.556 5.105 4.550 -0.002 0.000 0.324 258 Y C 0.828 176.691 175.900 -0.062 0.000 1.005 258 Y CA -0.964 57.112 58.100 -0.041 0.000 1.240 258 Y CB 0.776 39.271 38.460 0.058 0.000 1.117 258 Y HN 0.048 nan 8.280 nan 0.000 0.463 259 A N 2.140 124.977 122.820 0.028 0.000 1.948 259 A HA -0.272 4.047 4.320 -0.002 0.000 0.220 259 A C 2.047 179.649 177.584 0.029 0.000 1.177 259 A CA 2.264 54.305 52.037 0.008 0.000 0.636 259 A CB -0.397 18.591 19.000 -0.019 0.000 0.815 259 A HN 0.895 nan 8.150 nan 0.000 0.449 260 E N 0.084 120.328 120.200 0.074 0.000 2.267 260 E HA -0.162 4.187 4.350 -0.002 0.000 0.197 260 E C 1.666 178.280 176.600 0.024 0.000 0.998 260 E CA 1.226 57.664 56.400 0.064 0.000 0.830 260 E CB -0.496 29.269 29.700 0.109 0.000 0.751 260 E HN 0.647 nan 8.360 nan 0.000 0.491 261 L N 1.013 122.224 121.223 -0.019 0.000 2.395 261 L HA 0.017 4.356 4.340 -0.002 0.000 0.218 261 L C 0.890 177.694 176.870 -0.111 0.000 1.130 261 L CA 0.095 54.851 54.840 -0.140 0.000 0.826 261 L CB -0.447 41.410 42.059 -0.337 0.000 0.941 261 L HN 0.093 nan 8.230 nan 0.000 0.451 262 N N -0.903 117.760 118.700 -0.062 0.000 2.529 262 N HA 0.031 4.770 4.740 -0.002 0.000 0.278 262 N C 0.830 176.323 175.510 -0.028 0.000 1.146 262 N CA -0.215 52.806 53.050 -0.048 0.000 0.980 262 N CB 1.782 40.250 38.487 -0.030 0.000 1.124 262 N HN 0.058 nan 8.380 nan 0.000 0.458 263 c N 0.521 119.105 118.600 -0.027 0.000 2.401 263 c HA -0.166 4.403 4.570 -0.002 0.000 0.276 263 c C 1.803 175.890 174.090 -0.004 0.000 1.233 263 c CA 1.026 57.349 56.329 -0.011 0.000 1.753 263 c CB -0.817 41.686 42.510 -0.010 0.000 2.029 263 c HN 0.796 nan 8.230 nan 0.000 0.478 264 D N -0.614 119.783 120.400 -0.007 0.000 2.325 264 D HA 0.180 4.819 4.640 -0.002 0.000 0.225 264 D C 1.395 177.693 176.300 -0.003 0.000 1.096 264 D CA 0.824 54.822 54.000 -0.003 0.000 0.844 264 D CB -0.743 40.054 40.800 -0.005 0.000 0.925 264 D HN 0.496 nan 8.370 nan 0.000 0.513 265 G N -0.215 108.583 108.800 -0.003 0.000 2.180 265 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.263 265 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.263 265 G C 0.095 174.992 174.900 -0.006 0.000 0.989 265 G CA 0.597 45.697 45.100 -0.001 0.000 0.692 265 G HN 0.416 nan 8.290 nan 0.000 0.526 266 V N 0.529 120.438 119.914 -0.008 0.000 2.417 266 V HA 0.767 4.886 4.120 -0.002 0.000 0.291 266 V C 0.700 176.788 176.094 -0.010 0.000 1.024 266 V CA -0.573 61.720 62.300 -0.011 0.000 0.861 266 V CB 1.648 33.465 31.823 -0.009 0.000 0.985 266 V HN 1.000 nan 8.190 nan 0.000 0.436 267 A N 7.353 130.164 122.820 -0.014 0.000 2.451 267 A HA 0.644 4.963 4.320 -0.002 0.000 0.266 267 A C -2.264 175.332 177.584 0.020 0.000 1.119 267 A CA -0.924 51.110 52.037 -0.004 0.000 0.786 267 A CB -0.224 18.757 19.000 -0.032 0.000 1.061 267 A HN 0.669 nan 8.150 nan 0.000 0.503 268 P HA 0.343 nan 4.420 nan 0.000 0.274 268 P C -2.492 174.858 177.300 0.084 0.000 1.246 268 P CA -1.058 62.072 63.100 0.049 0.000 0.795 268 P CB -0.083 31.651 31.700 0.058 0.000 1.006 269 P HA 0.146 nan 4.420 nan 0.000 0.274 269 P C -0.424 176.950 177.300 0.124 0.000 1.246 269 P CA -0.198 62.962 63.100 0.100 0.000 0.795 269 P CB 0.335 32.074 31.700 0.066 0.000 1.006 270 L N 1.059 122.337 121.223 0.091 0.000 2.485 270 L HA 0.084 4.423 4.340 -0.002 0.000 0.275 270 L C 0.293 177.238 176.870 0.126 0.000 1.207 270 L CA 0.063 54.934 54.840 0.052 0.000 0.855 270 L CB -0.231 41.761 42.059 -0.112 0.000 1.114 270 L HN 0.372 nan 8.230 nan 0.000 0.485 271 Y N 1.290 121.604 120.300 0.024 0.000 2.330 271 Y HA 0.251 4.800 4.550 -0.002 0.000 0.336 271 Y C 0.866 176.774 175.900 0.013 0.000 1.036 271 Y CA -0.769 57.352 58.100 0.035 0.000 1.125 271 Y CB 1.467 40.019 38.460 0.154 0.000 1.194 271 Y HN 0.628 nan 8.280 nan 0.000 0.469 272 T N 1.080 115.287 114.554 -0.579 0.000 3.145 272 T HA 0.416 4.765 4.350 -0.002 0.000 0.281 272 T C 0.664 174.972 174.700 -0.653 0.000 1.003 272 T CA 0.100 61.911 62.100 -0.481 0.000 0.901 272 T CB -0.348 68.367 68.868 -0.254 0.000 1.112 272 T HN 0.722 nan 8.240 nan 0.000 0.535 273 G N 1.333 109.316 108.800 -1.362 0.000 2.510 273 G HA2 0.460 4.419 3.960 -0.002 0.000 0.280 273 G HA3 0.460 4.419 3.960 -0.002 0.000 0.280 273 G C 0.546 175.241 174.900 -0.342 0.000 1.386 273 G CA 0.080 44.712 45.100 -0.779 0.000 1.047 273 G HN 0.433 nan 8.290 nan 0.000 0.527 274 T N -2.724 111.833 114.554 0.005 0.000 3.288 274 T HA 0.394 4.743 4.350 -0.002 0.000 0.293 274 T C 0.377 175.188 174.700 0.186 0.000 1.008 274 T CA -0.345 61.822 62.100 0.112 0.000 0.929 274 T CB 0.058 68.964 68.868 0.064 0.000 1.152 274 T HN 0.322 nan 8.240 nan 0.000 0.517 275 K N 1.189 121.791 120.400 0.337 0.000 2.177 275 K HA 0.766 5.084 4.320 -0.002 0.000 0.238 275 K C -0.288 176.461 176.600 0.248 0.000 1.015 275 K CA -0.909 55.520 56.287 0.237 0.000 0.922 275 K CB 1.856 34.483 32.500 0.211 0.000 1.127 275 K HN 0.218 nan 8.250 nan 0.000 0.469 276 V N -3.490 116.462 119.914 0.064 0.000 3.159 276 V HA 0.789 4.908 4.120 -0.002 0.000 0.308 276 V C 0.347 176.295 176.094 -0.243 0.000 1.190 276 V CA -0.029 62.162 62.300 -0.181 0.000 1.037 276 V CB 1.182 32.890 31.823 -0.191 0.000 1.060 276 V HN 0.933 nan 8.190 nan 0.000 0.437 277 G N 1.572 110.019 108.800 -0.589 0.000 2.175 277 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.244 277 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.244 277 G C 0.178 174.908 174.900 -0.284 0.000 0.982 277 G CA 0.923 45.797 45.100 -0.378 0.000 0.641 277 G HN 2.101 nan 8.290 nan 0.000 0.527 278 F N 2.058 121.850 119.950 -0.262 0.000 2.754 278 F HA 0.537 5.063 4.527 -0.002 0.000 0.297 278 F C 1.221 176.894 175.800 -0.211 0.000 1.122 278 F CA 0.087 57.957 58.000 -0.216 0.000 1.400 278 F CB -0.436 38.415 39.000 -0.247 0.000 1.117 278 F HN 0.425 nan 8.300 nan 0.000 0.587 279 S N 0.034 115.342 115.700 -0.654 0.000 2.651 279 S HA 0.684 5.152 4.470 -0.002 0.000 0.291 279 S C -0.241 174.192 174.600 -0.278 0.000 1.141 279 S CA -0.317 57.657 58.200 -0.375 0.000 1.027 279 S CB 1.741 64.650 63.200 -0.485 0.000 1.043 279 S HN 0.350 nan 8.310 nan 0.000 0.530 280 S N 1.170 116.761 115.700 -0.182 0.000 2.548 280 S HA 0.408 4.877 4.470 -0.002 0.000 0.278 280 S C -0.916 173.581 174.600 -0.171 0.000 1.150 280 S CA -0.867 57.226 58.200 -0.178 0.000 0.907 280 S CB 0.405 63.520 63.200 -0.142 0.000 1.108 280 S HN 0.773 nan 8.310 nan 0.000 0.459 281 L N 2.394 123.480 121.223 -0.228 0.000 2.464 281 L HA 0.370 4.709 4.340 -0.002 0.000 0.264 281 L C 0.549 177.310 176.870 -0.183 0.000 1.199 281 L CA -0.605 54.097 54.840 -0.229 0.000 0.818 281 L CB 0.491 42.379 42.059 -0.285 0.000 1.102 281 L HN 0.736 nan 8.230 nan 0.000 0.473 282 c N 2.663 121.185 118.600 -0.130 0.000 2.289 282 c HA 0.187 4.756 4.570 -0.002 0.000 0.340 282 c C 1.728 175.815 174.090 -0.005 0.000 1.152 282 c CA -0.648 55.647 56.329 -0.057 0.000 1.650 282 c CB -0.522 41.970 42.510 -0.030 0.000 2.203 282 c HN 0.645 nan 8.230 nan 0.000 0.511 283 V N 4.327 124.267 119.914 0.043 0.000 2.594 283 V HA -0.121 3.998 4.120 -0.002 0.000 0.253 283 V C 1.798 178.067 176.094 0.292 0.000 1.069 283 V CA 1.857 64.287 62.300 0.217 0.000 1.082 283 V CB -0.420 31.538 31.823 0.225 0.000 0.680 283 V HN 0.770 nan 8.190 nan 0.000 0.469 284 D N -0.094 120.409 120.400 0.172 0.000 2.336 284 D HA 0.081 4.719 4.640 -0.002 0.000 0.229 284 D C 0.674 177.068 176.300 0.157 0.000 1.061 284 D CA 0.387 54.479 54.000 0.154 0.000 0.875 284 D CB 0.168 41.024 40.800 0.094 0.000 0.904 284 D HN 0.467 nan 8.370 nan 0.000 0.525 285 K N 0.660 121.169 120.400 0.183 0.000 2.221 285 K HA 0.157 4.476 4.320 -0.002 0.000 0.258 285 K C 0.389 177.145 176.600 0.260 0.000 0.944 285 K CA -0.655 55.727 56.287 0.158 0.000 0.823 285 K CB 2.129 34.679 32.500 0.084 0.000 1.113 285 K HN -0.284 nan 8.250 nan 0.000 0.431 286 D N 1.275 121.807 120.400 0.220 0.000 2.149 286 D HA -0.143 4.495 4.640 -0.002 0.000 0.201 286 D C 1.639 178.099 176.300 0.267 0.000 0.972 286 D CA 0.927 55.090 54.000 0.273 0.000 0.835 286 D CB 0.206 41.102 40.800 0.159 0.000 0.966 286 D HN 0.237 nan 8.370 nan 0.000 0.476 287 V N 1.201 121.222 119.914 0.178 0.000 2.568 287 V HA -0.243 3.876 4.120 -0.002 0.000 0.253 287 V C 2.059 178.232 176.094 0.131 0.000 1.072 287 V CA 2.040 64.445 62.300 0.175 0.000 1.084 287 V CB -0.563 31.352 31.823 0.154 0.000 0.676 287 V HN 0.175 nan 8.190 nan 0.000 0.469 288 T N -0.215 114.358 114.554 0.032 0.000 2.720 288 T HA -0.189 4.160 4.350 -0.002 0.000 0.268 288 T C 1.487 176.075 174.700 -0.186 0.000 1.037 288 T CA 2.325 64.333 62.100 -0.152 0.000 1.144 288 T CB -0.370 68.292 68.868 -0.343 0.000 0.864 288 T HN 0.712 nan 8.240 nan 0.000 0.444 289 Y N 1.141 121.531 120.300 0.150 0.000 2.519 289 Y HA 0.099 4.648 4.550 -0.002 0.000 0.287 289 Y C 2.247 178.204 175.900 0.096 0.000 1.128 289 Y CA -0.045 58.114 58.100 0.099 0.000 1.282 289 Y CB -0.141 38.346 38.460 0.046 0.000 1.027 289 Y HN 0.171 nan 8.280 nan 0.000 0.551 290 D N -0.281 120.262 120.400 0.239 0.000 2.137 290 D HA -0.152 4.487 4.640 -0.002 0.000 0.202 290 D C 1.917 178.343 176.300 0.211 0.000 0.970 290 D CA 0.902 55.046 54.000 0.239 0.000 0.837 290 D CB -0.462 40.511 40.800 0.288 0.000 0.981 290 D HN 0.303 nan 8.370 nan 0.000 0.475 291 F N 2.070 121.977 119.950 -0.071 0.000 2.075 291 F HA -0.226 4.299 4.527 -0.002 0.000 0.297 291 F C 2.157 177.745 175.800 -0.354 0.000 1.113 291 F CA 1.193 58.861 58.000 -0.552 0.000 1.218 291 F CB -0.530 37.943 39.000 -0.878 0.000 0.984 291 F HN -0.242 nan 8.300 nan 0.000 0.472 292 V N 0.722 120.461 119.914 -0.292 0.000 2.332 292 V HA -0.349 3.770 4.120 -0.002 0.000 0.248 292 V C 2.117 178.099 176.094 -0.186 0.000 1.055 292 V CA 2.400 64.529 62.300 -0.284 0.000 1.038 292 V CB -0.943 30.864 31.823 -0.027 0.000 0.651 292 V HN 0.453 nan 8.190 nan 0.000 0.450 293 D N -0.294 120.085 120.400 -0.035 0.000 2.117 293 D HA -0.201 4.438 4.640 -0.002 0.000 0.197 293 D C 1.791 178.088 176.300 -0.005 0.000 0.987 293 D CA 1.406 55.450 54.000 0.073 0.000 0.829 293 D CB -0.056 40.837 40.800 0.155 0.000 0.961 293 D HN 0.404 nan 8.370 nan 0.000 0.460 294 D N -0.388 119.988 120.400 -0.039 0.000 2.097 294 D HA -0.126 4.513 4.640 -0.002 0.000 0.195 294 D C 2.299 178.501 176.300 -0.162 0.000 0.989 294 D CA 0.715 54.700 54.000 -0.026 0.000 0.827 294 D CB -0.402 40.514 40.800 0.192 0.000 0.966 294 D HN 0.159 nan 8.370 nan 0.000 0.456 295 V N 1.304 121.017 119.914 -0.334 0.000 2.261 295 V HA -0.205 3.914 4.120 -0.002 0.000 0.246 295 V C 2.558 178.531 176.094 -0.202 0.000 1.047 295 V CA 1.138 63.263 62.300 -0.291 0.000 1.015 295 V CB -0.342 31.200 31.823 -0.468 0.000 0.642 295 V HN 0.190 nan 8.190 nan 0.000 0.446 296 I N 0.588 121.034 120.570 -0.206 0.000 2.286 296 I HA -0.159 4.010 4.170 -0.002 0.000 0.248 296 I C 2.541 178.436 176.117 -0.369 0.000 1.115 296 I CA 1.573 62.772 61.300 -0.167 0.000 1.392 296 I CB -0.894 37.081 38.000 -0.042 0.000 1.065 296 I HN 0.425 nan 8.210 nan 0.000 0.418 297 G N 0.370 108.777 108.800 -0.655 0.000 2.421 297 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.216 297 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.216 297 G C 1.542 176.116 174.900 -0.543 0.000 1.171 297 G CA 0.456 44.808 45.100 -1.246 0.000 0.775 297 G HN 0.391 nan 8.290 nan 0.000 0.543 298 E N -0.416 119.610 120.200 -0.290 0.000 2.106 298 E HA -0.053 4.296 4.350 -0.002 0.000 0.192 298 E C 2.385 178.919 176.600 -0.110 0.000 0.984 298 E CA 0.491 56.808 56.400 -0.139 0.000 0.806 298 E CB -0.100 29.564 29.700 -0.059 0.000 0.750 298 E HN 0.338 nan 8.360 nan 0.000 0.458 299 L N 0.920 122.065 121.223 -0.130 0.000 2.056 299 L HA -0.043 4.296 4.340 -0.002 0.000 0.207 299 L C 2.204 179.041 176.870 -0.055 0.000 1.078 299 L CA 1.818 56.595 54.840 -0.106 0.000 0.749 299 L CB -0.568 41.427 42.059 -0.107 0.000 0.901 299 L HN -0.007 nan 8.230 nan 0.000 0.433 300 A N -0.385 122.386 122.820 -0.082 0.000 1.933 300 A HA -0.118 4.201 4.320 -0.002 0.000 0.218 300 A C 2.428 180.017 177.584 0.009 0.000 1.175 300 A CA 1.707 53.733 52.037 -0.018 0.000 0.628 300 A CB -1.120 17.873 19.000 -0.013 0.000 0.814 300 A HN 0.564 nan 8.150 nan 0.000 0.444 301 A N -0.515 122.291 122.820 -0.024 0.000 2.019 301 A HA 0.058 4.377 4.320 -0.002 0.000 0.219 301 A C 1.890 179.505 177.584 0.053 0.000 1.164 301 A CA 1.334 53.380 52.037 0.015 0.000 0.644 301 A CB -0.448 18.549 19.000 -0.004 0.000 0.805 301 A HN 0.481 nan 8.150 nan 0.000 0.449 302 L N -0.367 120.901 121.223 0.075 0.000 2.592 302 L HA 0.086 4.425 4.340 -0.002 0.000 0.227 302 L C -0.076 176.926 176.870 0.219 0.000 1.127 302 L CA 0.103 55.042 54.840 0.165 0.000 0.884 302 L CB 0.037 42.228 42.059 0.219 0.000 1.065 302 L HN 0.086 nan 8.230 nan 0.000 0.457 303 T N 1.723 116.364 114.554 0.146 0.000 2.874 303 T HA 0.218 4.567 4.350 -0.002 0.000 0.321 303 T C -1.633 173.110 174.700 0.072 0.000 1.075 303 T CA -1.025 61.159 62.100 0.139 0.000 0.966 303 T CB 1.495 70.445 68.868 0.136 0.000 1.001 303 T HN -0.023 nan 8.240 nan 0.000 0.476 304 P HA 0.071 nan 4.420 nan 0.000 0.229 304 P C 0.979 178.281 177.300 0.002 0.000 1.160 304 P CA 0.105 63.214 63.100 0.015 0.000 0.777 304 P CB 0.150 31.847 31.700 -0.004 0.000 0.814 305 G N 0.552 109.362 108.800 0.017 0.000 2.667 305 G HA2 0.020 3.979 3.960 -0.002 0.000 0.250 305 G HA3 0.020 3.979 3.960 -0.002 0.000 0.250 305 G C 0.896 175.767 174.900 -0.048 0.000 1.212 305 G CA -0.442 44.664 45.100 0.010 0.000 0.874 305 G HN 0.053 nan 8.290 nan 0.000 0.561 306 R N -0.889 119.503 120.500 -0.180 0.000 2.200 306 R HA 0.081 4.420 4.340 -0.002 0.000 0.208 306 R C -0.254 175.723 176.300 -0.539 0.000 1.033 306 R CA 0.599 56.431 56.100 -0.447 0.000 1.000 306 R CB 0.059 29.902 30.300 -0.762 0.000 0.906 306 R HN 0.575 nan 8.270 nan 0.000 0.462 307 Y N -0.208 120.151 120.300 0.099 0.000 2.487 307 Y HA 0.466 5.014 4.550 -0.002 0.000 0.337 307 Y C -0.121 175.840 175.900 0.102 0.000 1.076 307 Y CA -1.296 56.877 58.100 0.120 0.000 1.115 307 Y CB 1.361 39.953 38.460 0.220 0.000 1.235 307 Y HN -0.214 nan 8.280 nan 0.000 0.468 308 L N 3.403 124.770 121.223 0.240 0.000 2.441 308 L HA 0.322 4.661 4.340 -0.002 0.000 0.270 308 L C -1.437 175.519 176.870 0.144 0.000 0.973 308 L CA -0.402 54.537 54.840 0.166 0.000 0.842 308 L CB 1.235 43.360 42.059 0.111 0.000 1.239 308 L HN 0.776 nan 8.230 nan 0.000 0.406 309 H N 6.498 125.587 119.070 0.032 0.000 2.604 309 H HA 0.327 4.882 4.556 -0.002 0.000 0.306 309 H C 0.699 176.030 175.328 0.006 0.000 1.075 309 H CA -0.093 55.926 56.048 -0.047 0.000 1.357 309 H CB 1.303 30.954 29.762 -0.185 0.000 1.426 309 H HN 0.721 nan 8.280 nan 0.000 0.470 310 I N 1.745 122.454 120.570 0.232 0.000 3.941 310 I HA 0.324 4.493 4.170 -0.002 0.000 0.335 310 I C 1.151 177.474 176.117 0.342 0.000 1.402 310 I CA -0.002 61.438 61.300 0.234 0.000 1.112 310 I CB 0.204 38.298 38.000 0.157 0.000 1.043 310 I HN 0.710 nan 8.210 nan 0.000 0.395 311 G N 2.656 111.773 108.800 0.528 0.000 2.596 311 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.304 311 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.304 311 G C 0.938 176.231 174.900 0.656 0.000 1.189 311 G CA 0.884 46.378 45.100 0.657 0.000 0.986 311 G HN 1.594 nan 8.290 nan 0.000 0.548 312 G N -0.758 108.401 108.800 0.597 0.000 2.168 312 G HA2 0.075 4.034 3.960 -0.002 0.000 0.197 312 G HA3 0.075 4.034 3.960 -0.002 0.000 0.197 312 G C 0.064 175.255 174.900 0.485 0.000 0.997 312 G CA 1.150 46.610 45.100 0.600 0.000 0.658 312 G HN 1.968 nan 8.290 nan 0.000 0.513 313 D N 0.748 121.354 120.400 0.345 0.000 2.264 313 D HA 0.388 5.027 4.640 -0.002 0.000 0.249 313 D C 0.571 176.815 176.300 -0.094 0.000 1.070 313 D CA 0.099 54.119 54.000 0.034 0.000 0.912 313 D CB 0.536 41.019 40.800 -0.528 0.000 1.193 313 D HN 0.488 nan 8.370 nan 0.000 0.427 314 E N -0.388 119.636 120.200 -0.294 0.000 2.238 314 E HA -0.206 4.142 4.350 -0.002 0.000 0.219 314 E C -0.373 175.756 176.600 -0.785 0.000 1.275 314 E CA 0.585 56.504 56.400 -0.801 0.000 0.714 314 E CB -1.532 27.889 29.700 -0.466 0.000 1.154 314 E HN 0.570 nan 8.360 nan 0.000 0.363 315 A N 1.000 123.485 122.820 -0.559 0.000 3.135 315 A HA 0.090 4.409 4.320 -0.002 0.000 0.253 315 A C 0.626 178.036 177.584 -0.290 0.000 1.638 315 A CA -0.360 51.485 52.037 -0.320 0.000 1.295 315 A CB -0.170 18.783 19.000 -0.077 0.000 1.106 315 A HN 0.340 nan 8.150 nan 0.000 0.648 316 H N -0.199 118.759 119.070 -0.187 0.000 2.559 316 H HA 0.035 4.590 4.556 -0.002 0.000 0.273 316 H C 0.903 176.161 175.328 -0.116 0.000 1.000 316 H CA 1.021 56.978 56.048 -0.151 0.000 1.195 316 H CB 0.225 29.898 29.762 -0.149 0.000 1.368 316 H HN 0.481 nan 8.280 nan 0.000 0.592 317 S N 0.217 115.896 115.700 -0.034 0.000 2.575 317 S HA 0.107 4.575 4.470 -0.002 0.000 0.237 317 S C 0.311 174.892 174.600 -0.033 0.000 0.975 317 S CA -0.134 58.047 58.200 -0.033 0.000 0.960 317 S CB 0.471 63.636 63.200 -0.059 0.000 0.822 317 S HN 0.178 nan 8.310 nan 0.000 0.472 318 T N 4.103 118.644 114.554 -0.021 0.000 2.892 318 T HA 0.361 4.710 4.350 -0.002 0.000 0.311 318 T C -2.833 171.898 174.700 0.052 0.000 1.033 318 T CA -1.414 60.695 62.100 0.015 0.000 0.991 318 T CB 1.491 70.382 68.868 0.039 0.000 0.981 318 T HN -0.081 nan 8.240 nan 0.000 0.457 319 P HA 0.065 nan 4.420 nan 0.000 0.265 319 P C 1.025 178.390 177.300 0.109 0.000 1.187 319 P CA -0.251 62.887 63.100 0.064 0.000 0.766 319 P CB 0.753 32.488 31.700 0.058 0.000 0.820 320 K N 4.505 124.959 120.400 0.089 0.000 2.052 320 K HA -0.274 4.045 4.320 -0.002 0.000 0.215 320 K C 1.797 178.513 176.600 0.193 0.000 1.053 320 K CA 2.503 58.867 56.287 0.129 0.000 0.934 320 K CB -1.249 31.299 32.500 0.080 0.000 0.717 320 K HN 0.437 nan 8.250 nan 0.000 0.450 321 A N 0.785 123.686 122.820 0.136 0.000 1.908 321 A HA -0.201 4.117 4.320 -0.002 0.000 0.218 321 A C 1.898 179.576 177.584 0.155 0.000 1.181 321 A CA 2.166 54.280 52.037 0.129 0.000 0.627 321 A CB -0.785 18.268 19.000 0.089 0.000 0.818 321 A HN 0.514 nan 8.150 nan 0.000 0.445 322 D N -1.343 119.155 120.400 0.163 0.000 2.144 322 D HA -0.102 4.537 4.640 -0.002 0.000 0.200 322 D C 1.608 178.061 176.300 0.254 0.000 0.978 322 D CA 1.074 55.183 54.000 0.182 0.000 0.833 322 D CB -0.402 40.486 40.800 0.146 0.000 0.961 322 D HN 0.480 nan 8.370 nan 0.000 0.470 323 F N 1.669 121.690 119.950 0.119 0.000 2.102 323 F HA -0.223 4.303 4.527 -0.002 0.000 0.298 323 F C 2.204 178.128 175.800 0.207 0.000 1.105 323 F CA 1.078 59.169 58.000 0.151 0.000 1.239 323 F CB -0.359 38.698 39.000 0.096 0.000 0.991 323 F HN -0.231 nan 8.300 nan 0.000 0.474 324 V N 0.659 120.717 119.914 0.240 0.000 2.287 324 V HA -0.333 3.786 4.120 -0.002 0.000 0.248 324 V C 2.761 178.883 176.094 0.046 0.000 1.053 324 V CA 1.918 64.285 62.300 0.111 0.000 1.027 324 V CB -1.656 30.260 31.823 0.156 0.000 0.646 324 V HN 0.503 nan 8.190 nan 0.000 0.447 325 A N -0.631 122.247 122.820 0.098 0.000 1.902 325 A HA -0.237 4.082 4.320 -0.002 0.000 0.217 325 A C 2.112 179.750 177.584 0.090 0.000 1.181 325 A CA 2.015 54.099 52.037 0.078 0.000 0.623 325 A CB -0.709 18.354 19.000 0.104 0.000 0.818 325 A HN 0.524 nan 8.150 nan 0.000 0.443 326 F N 0.120 120.079 119.950 0.016 0.000 2.075 326 F HA -0.201 4.325 4.527 -0.002 0.000 0.297 326 F C 2.271 178.059 175.800 -0.020 0.000 1.113 326 F CA 2.074 60.113 58.000 0.066 0.000 1.218 326 F CB -0.169 38.838 39.000 0.012 0.000 0.984 326 F HN 0.094 nan 8.300 nan 0.000 0.472 327 M N 0.142 119.660 119.600 -0.138 0.000 2.229 327 M HA -0.151 4.328 4.480 -0.002 0.000 0.264 327 M C 2.137 178.333 176.300 -0.172 0.000 1.063 327 M CA 1.423 56.588 55.300 -0.226 0.000 1.114 327 M CB -1.193 31.235 32.600 -0.286 0.000 1.387 327 M HN 0.107 nan 8.290 nan 0.000 0.420 328 K N 0.618 120.947 120.400 -0.119 0.000 2.097 328 K HA -0.107 4.212 4.320 -0.002 0.000 0.206 328 K C 1.959 178.487 176.600 -0.120 0.000 1.049 328 K CA 1.462 57.696 56.287 -0.088 0.000 0.933 328 K CB -0.006 32.461 32.500 -0.055 0.000 0.717 328 K HN 0.265 nan 8.250 nan 0.000 0.442 329 R N -0.413 119.987 120.500 -0.167 0.000 2.093 329 R HA -0.002 4.337 4.340 -0.002 0.000 0.224 329 R C 2.230 178.419 176.300 -0.186 0.000 1.101 329 R CA 1.280 57.260 56.100 -0.199 0.000 0.979 329 R CB -0.236 29.889 30.300 -0.293 0.000 0.877 329 R HN 0.243 nan 8.270 nan 0.000 0.441 330 V N -1.555 118.190 119.914 -0.282 0.000 2.725 330 V HA -0.061 4.058 4.120 -0.002 0.000 0.247 330 V C 1.842 177.861 176.094 -0.125 0.000 1.058 330 V CA 0.846 63.002 62.300 -0.239 0.000 1.080 330 V CB -0.433 31.111 31.823 -0.465 0.000 0.713 330 V HN 0.164 nan 8.190 nan 0.000 0.465 331 Q N 0.958 120.690 119.800 -0.114 0.000 2.077 331 Q HA -0.159 4.180 4.340 -0.002 0.000 0.206 331 Q C 0.253 176.231 176.000 -0.038 0.000 0.989 331 Q CA 2.648 58.418 55.803 -0.056 0.000 0.853 331 Q CB -1.604 27.105 28.738 -0.048 0.000 0.907 331 Q HN 0.545 nan 8.270 nan 0.000 0.418 332 P HA -0.167 nan 4.420 nan 0.000 0.218 332 P C 0.936 178.211 177.300 -0.042 0.000 1.146 332 P CA 1.161 64.233 63.100 -0.048 0.000 0.813 332 P CB -0.085 31.578 31.700 -0.061 0.000 0.778 333 I N -1.586 118.970 120.570 -0.023 0.000 2.361 333 I HA -0.198 3.971 4.170 -0.002 0.000 0.251 333 I C 2.071 178.244 176.117 0.093 0.000 1.133 333 I CA 1.174 62.489 61.300 0.024 0.000 1.413 333 I CB -0.607 37.436 38.000 0.071 0.000 1.073 333 I HN -0.132 nan 8.210 nan 0.000 0.424 334 V N 1.105 121.061 119.914 0.070 0.000 2.270 334 V HA -0.268 3.851 4.120 -0.002 0.000 0.245 334 V C 2.757 178.893 176.094 0.070 0.000 1.043 334 V CA 2.030 64.388 62.300 0.097 0.000 1.014 334 V CB -0.972 30.887 31.823 0.060 0.000 0.645 334 V HN 0.491 nan 8.190 nan 0.000 0.447 335 A N -0.155 122.674 122.820 0.014 0.000 1.972 335 A HA -0.267 4.052 4.320 -0.002 0.000 0.219 335 A C 2.326 179.879 177.584 -0.053 0.000 1.169 335 A CA 2.098 54.127 52.037 -0.012 0.000 0.635 335 A CB -0.548 18.437 19.000 -0.024 0.000 0.810 335 A HN 0.552 nan 8.150 nan 0.000 0.446 336 K N -1.613 118.719 120.400 -0.115 0.000 2.152 336 K HA -0.178 4.141 4.320 -0.002 0.000 0.206 336 K C 0.294 176.657 176.600 -0.396 0.000 1.048 336 K CA 1.485 57.602 56.287 -0.283 0.000 0.933 336 K CB -0.242 32.011 32.500 -0.412 0.000 0.721 336 K HN 0.533 nan 8.250 nan 0.000 0.447 337 Y N 0.178 120.474 120.300 -0.007 0.000 2.746 337 Y HA 0.269 4.818 4.550 -0.002 0.000 0.312 337 Y C 0.886 176.783 175.900 -0.005 0.000 1.117 337 Y CA -0.024 58.074 58.100 -0.003 0.000 1.324 337 Y CB 0.659 39.119 38.460 0.001 0.000 1.173 337 Y HN 0.284 nan 8.280 nan 0.000 0.529 338 G N 0.580 109.416 108.800 0.061 0.000 2.225 338 G HA2 -0.263 3.696 3.960 -0.002 0.000 0.267 338 G HA3 -0.263 3.696 3.960 -0.002 0.000 0.267 338 G C 0.120 175.034 174.900 0.023 0.000 1.024 338 G CA 0.108 45.227 45.100 0.032 0.000 0.784 338 G HN 0.120 nan 8.290 nan 0.000 0.507 339 K N -0.455 119.967 120.400 0.036 0.000 2.350 339 K HA 0.678 4.997 4.320 -0.002 0.000 0.241 339 K C -0.064 176.539 176.600 0.005 0.000 0.994 339 K CA -0.608 55.685 56.287 0.010 0.000 0.839 339 K CB 1.323 33.852 32.500 0.049 0.000 1.244 339 K HN 0.041 nan 8.250 nan 0.000 0.443 340 T N 0.771 115.314 114.554 -0.018 0.000 2.767 340 T HA 0.191 4.540 4.350 -0.002 0.000 0.288 340 T C -0.170 174.602 174.700 0.120 0.000 0.963 340 T CA -0.481 61.645 62.100 0.042 0.000 1.019 340 T CB 1.251 70.141 68.868 0.036 0.000 0.923 340 T HN 0.276 nan 8.240 nan 0.000 0.468 341 V N 5.372 125.332 119.914 0.076 0.000 2.686 341 V HA 0.544 4.663 4.120 -0.002 0.000 0.295 341 V C -0.501 175.586 176.094 -0.011 0.000 1.055 341 V CA 0.096 62.421 62.300 0.041 0.000 1.050 341 V CB 0.891 32.722 31.823 0.013 0.000 0.984 341 V HN 0.682 nan 8.190 nan 0.000 0.482 342 V N 5.452 125.291 119.914 -0.125 0.000 2.876 342 V HA 0.964 5.083 4.120 -0.002 0.000 0.312 342 V C 0.340 176.089 176.094 -0.574 0.000 1.085 342 V CA 0.139 62.208 62.300 -0.384 0.000 0.945 342 V CB 1.679 33.174 31.823 -0.546 0.000 1.017 342 V HN 1.195 nan 8.190 nan 0.000 0.428 343 G N 0.919 109.393 108.800 -0.544 0.000 2.692 343 G HA2 0.572 4.531 3.960 -0.002 0.000 0.291 343 G HA3 0.572 4.531 3.960 -0.002 0.000 0.291 343 G C -1.770 173.043 174.900 -0.145 0.000 1.423 343 G CA -0.769 44.142 45.100 -0.315 0.000 0.843 343 G HN 0.549 nan 8.290 nan 0.000 0.486 344 W N 0.414 121.896 121.300 0.302 0.000 2.079 344 W HA 0.218 4.877 4.660 -0.002 0.000 0.354 344 W C 2.127 178.866 176.519 0.367 0.000 1.302 344 W CA 0.100 57.684 57.345 0.398 0.000 1.281 344 W CB 0.447 30.122 29.460 0.358 0.000 1.165 344 W HN 0.745 nan 8.180 nan 0.000 0.603 345 H N -0.271 119.210 119.070 0.684 0.000 2.557 345 H HA -0.149 4.406 4.556 -0.002 0.000 0.287 345 H C 1.200 176.748 175.328 0.368 0.000 1.043 345 H CA 1.480 57.792 56.048 0.440 0.000 1.226 345 H CB -0.143 29.878 29.762 0.432 0.000 1.361 345 H HN 0.467 nan 8.280 nan 0.000 0.592 346 Q N 0.781 120.663 119.800 0.137 0.000 2.226 346 Q HA -0.039 4.299 4.340 -0.002 0.000 0.204 346 Q C 2.402 178.621 176.000 0.366 0.000 0.975 346 Q CA 0.811 56.698 55.803 0.140 0.000 0.866 346 Q CB -0.351 28.434 28.738 0.079 0.000 0.915 346 Q HN 0.409 nan 8.270 nan 0.000 0.440 347 L N -0.068 121.396 121.223 0.403 0.000 2.265 347 L HA -0.063 4.276 4.340 -0.002 0.000 0.215 347 L C 1.760 178.783 176.870 0.255 0.000 1.117 347 L CA 1.692 56.736 54.840 0.341 0.000 0.782 347 L CB -0.690 41.506 42.059 0.228 0.000 0.914 347 L HN 0.172 nan 8.230 nan 0.000 0.441 348 A N -0.812 122.157 122.820 0.250 0.000 2.125 348 A HA 0.025 4.344 4.320 -0.002 0.000 0.219 348 A C 2.069 179.762 177.584 0.180 0.000 1.156 348 A CA 1.164 53.319 52.037 0.195 0.000 0.671 348 A CB -1.074 18.055 19.000 0.214 0.000 0.794 348 A HN 0.510 nan 8.150 nan 0.000 0.459 349 G N -2.059 106.875 108.800 0.222 0.000 3.189 349 G HA2 0.406 4.364 3.960 -0.002 0.000 0.225 349 G HA3 0.406 4.364 3.960 -0.002 0.000 0.225 349 G C 0.552 175.591 174.900 0.232 0.000 1.159 349 G CA 0.718 45.938 45.100 0.200 0.000 0.763 349 G HN 0.818 nan 8.290 nan 0.000 0.549 350 A N 0.388 123.348 122.820 0.233 0.000 2.705 350 A HA 0.592 4.911 4.320 -0.002 0.000 0.294 350 A C 0.355 177.990 177.584 0.085 0.000 1.039 350 A CA -0.041 52.098 52.037 0.169 0.000 1.005 350 A CB -0.303 18.776 19.000 0.132 0.000 1.192 350 A HN 0.403 nan 8.150 nan 0.000 0.513 351 E N 0.082 120.333 120.200 0.084 0.000 2.708 351 E HA -0.141 4.208 4.350 -0.002 0.000 0.150 351 E C -2.444 174.179 176.600 0.039 0.000 1.853 351 E CA -0.012 56.419 56.400 0.053 0.000 0.643 351 E CB -0.723 28.998 29.700 0.036 0.000 1.078 351 E HN 0.397 nan 8.360 nan 0.000 0.345 352 P HA 0.000 nan 4.420 nan 0.000 0.267 352 P C -0.000 177.311 177.300 0.019 0.000 1.205 352 P CA -0.052 63.069 63.100 0.035 0.000 0.765 352 P CB 0.803 32.529 31.700 0.044 0.000 0.828 353 V N 0.678 120.597 119.914 0.008 0.000 3.319 353 V HA 0.170 4.289 4.120 -0.002 0.000 0.303 353 V C 0.580 176.679 176.094 0.008 0.000 1.094 353 V CA -0.678 61.623 62.300 0.003 0.000 1.106 353 V CB 0.048 31.867 31.823 -0.006 0.000 1.099 353 V HN 0.538 nan 8.190 nan 0.000 0.476 354 E N 1.005 121.209 120.200 0.007 0.000 2.414 354 E HA 0.358 4.707 4.350 -0.002 0.000 0.263 354 E C 1.218 177.828 176.600 0.016 0.000 1.000 354 E CA 0.795 57.201 56.400 0.011 0.000 0.914 354 E CB 0.120 29.824 29.700 0.007 0.000 0.948 354 E HN 1.550 nan 8.360 nan 0.000 0.444 355 G N 2.446 111.260 108.800 0.024 0.000 2.225 355 G HA2 -0.333 3.626 3.960 -0.002 0.000 0.254 355 G HA3 -0.333 3.626 3.960 -0.002 0.000 0.254 355 G C 0.350 175.277 174.900 0.046 0.000 0.988 355 G CA 0.143 45.266 45.100 0.038 0.000 0.625 355 G HN 0.907 nan 8.290 nan 0.000 0.527 356 A N -0.364 122.472 122.820 0.026 0.000 2.406 356 A HA 0.730 5.049 4.320 -0.002 0.000 0.243 356 A C 0.023 177.595 177.584 -0.020 0.000 1.082 356 A CA 0.482 52.526 52.037 0.010 0.000 0.786 356 A CB 0.480 19.481 19.000 0.001 0.000 1.029 356 A HN 0.979 nan 8.150 nan 0.000 0.495 357 L N 0.525 121.699 121.223 -0.081 0.000 2.354 357 L HA 0.653 4.992 4.340 -0.002 0.000 0.269 357 L C -0.163 176.590 176.870 -0.195 0.000 1.005 357 L CA -0.532 54.203 54.840 -0.176 0.000 0.819 357 L CB 2.072 43.916 42.059 -0.357 0.000 1.311 357 L HN 0.664 nan 8.230 nan 0.000 0.423 358 V N -0.541 119.287 119.914 -0.143 0.000 2.735 358 V HA 0.626 4.744 4.120 -0.002 0.000 0.310 358 V C -0.734 175.351 176.094 -0.015 0.000 1.061 358 V CA -0.722 61.551 62.300 -0.043 0.000 0.913 358 V CB 1.657 33.554 31.823 0.123 0.000 1.005 358 V HN 0.822 nan 8.190 nan 0.000 0.428 359 Q N 2.734 122.570 119.800 0.061 0.000 2.360 359 Q HA 0.379 4.718 4.340 -0.002 0.000 0.254 359 Q C -1.588 174.808 176.000 0.659 0.000 0.975 359 Q CA -0.709 55.218 55.803 0.207 0.000 0.912 359 Q CB 1.082 29.822 28.738 0.003 0.000 1.212 359 Q HN 0.897 nan 8.270 nan 0.000 0.452 360 Y N 5.863 126.407 120.300 0.406 0.000 2.436 360 Y HA 0.096 4.645 4.550 -0.002 0.000 0.343 360 Y C -0.231 175.972 175.900 0.505 0.000 1.008 360 Y CA -0.304 58.009 58.100 0.354 0.000 1.241 360 Y CB 0.469 38.961 38.460 0.053 0.000 1.153 360 Y HN 0.696 nan 8.280 nan 0.000 0.521 361 W N 5.752 127.028 121.300 -0.039 0.000 2.771 361 W HA 0.538 5.197 4.660 -0.002 0.000 0.412 361 W C 0.017 176.288 176.519 -0.412 0.000 0.965 361 W CA -0.665 56.659 57.345 -0.035 0.000 2.045 361 W CB -0.818 28.841 29.460 0.332 0.000 1.176 361 W HN 0.733 nan 8.180 nan 0.000 0.634 362 G N 1.922 109.843 108.800 -1.465 0.000 2.611 362 G HA2 0.421 4.380 3.960 -0.002 0.000 0.273 362 G HA3 0.421 4.380 3.960 -0.002 0.000 0.273 362 G C -1.093 173.570 174.900 -0.396 0.000 1.305 362 G CA -0.047 44.415 45.100 -1.064 0.000 1.010 362 G HN 0.044 nan 8.290 nan 0.000 0.509 363 L N -1.917 119.197 121.223 -0.183 0.000 2.277 363 L HA 0.455 4.794 4.340 -0.002 0.000 0.254 363 L C 1.004 177.851 176.870 -0.038 0.000 1.044 363 L CA -0.591 54.190 54.840 -0.098 0.000 0.842 363 L CB 1.301 43.270 42.059 -0.150 0.000 1.422 363 L HN 0.417 nan 8.230 nan 0.000 0.422 364 D N 0.111 120.476 120.400 -0.059 0.000 2.104 364 D HA -0.162 4.477 4.640 -0.002 0.000 0.194 364 D C 1.852 178.104 176.300 -0.080 0.000 0.994 364 D CA 1.579 55.531 54.000 -0.080 0.000 0.830 364 D CB 0.042 40.798 40.800 -0.073 0.000 0.959 364 D HN 0.525 nan 8.370 nan 0.000 0.452 365 R N 0.291 120.748 120.500 -0.072 0.000 2.316 365 R HA 0.029 4.368 4.340 -0.002 0.000 0.202 365 R C 0.238 176.503 176.300 -0.058 0.000 1.029 365 R CA 0.411 56.474 56.100 -0.062 0.000 1.018 365 R CB -0.678 29.588 30.300 -0.057 0.000 0.888 365 R HN -0.105 nan 8.270 nan 0.000 0.471 366 T N 1.686 116.203 114.554 -0.062 0.000 2.946 366 T HA 0.144 4.493 4.350 -0.002 0.000 0.311 366 T C 0.637 175.310 174.700 -0.045 0.000 1.063 366 T CA 0.633 62.699 62.100 -0.057 0.000 1.139 366 T CB 1.058 69.897 68.868 -0.048 0.000 0.994 366 T HN 0.461 nan 8.240 nan 0.000 0.547 367 G N 2.007 110.784 108.800 -0.039 0.000 2.491 367 G HA2 0.042 4.001 3.960 -0.002 0.000 0.238 367 G HA3 0.042 4.001 3.960 -0.002 0.000 0.238 367 G C 0.824 175.705 174.900 -0.031 0.000 1.277 367 G CA -0.649 44.431 45.100 -0.034 0.000 0.851 367 G HN 0.733 nan 8.290 nan 0.000 0.573 368 D N 1.765 122.144 120.400 -0.036 0.000 2.149 368 D HA -0.191 4.448 4.640 -0.002 0.000 0.198 368 D C 2.659 178.942 176.300 -0.027 0.000 0.990 368 D CA 1.583 55.559 54.000 -0.040 0.000 0.839 368 D CB -0.201 40.575 40.800 -0.040 0.000 0.948 368 D HN 0.454 nan 8.370 nan 0.000 0.460 369 A N 1.018 123.828 122.820 -0.015 0.000 1.908 369 A HA -0.246 4.073 4.320 -0.002 0.000 0.218 369 A C 2.147 179.739 177.584 0.014 0.000 1.181 369 A CA 1.859 53.895 52.037 -0.003 0.000 0.627 369 A CB -0.569 18.431 19.000 -0.001 0.000 0.818 369 A HN 0.264 nan 8.150 nan 0.000 0.445 370 E N -0.244 119.968 120.200 0.020 0.000 2.047 370 E HA -0.171 4.178 4.350 -0.002 0.000 0.191 370 E C 1.973 178.612 176.600 0.066 0.000 0.987 370 E CA 1.226 57.663 56.400 0.062 0.000 0.799 370 E CB -0.079 29.660 29.700 0.065 0.000 0.752 370 E HN 0.618 nan 8.360 nan 0.000 0.449 371 K N 0.131 120.538 120.400 0.012 0.000 2.097 371 K HA -0.123 4.196 4.320 -0.002 0.000 0.206 371 K C 2.111 178.665 176.600 -0.076 0.000 1.049 371 K CA 0.996 57.243 56.287 -0.067 0.000 0.933 371 K CB -0.101 32.327 32.500 -0.121 0.000 0.717 371 K HN 0.105 nan 8.250 nan 0.000 0.442 372 A N 1.559 124.355 122.820 -0.038 0.000 1.902 372 A HA -0.228 4.091 4.320 -0.002 0.000 0.217 372 A C 2.073 179.655 177.584 -0.004 0.000 1.181 372 A CA 1.602 53.622 52.037 -0.029 0.000 0.623 372 A CB -0.437 18.553 19.000 -0.018 0.000 0.818 372 A HN 0.388 nan 8.150 nan 0.000 0.443 373 E N -0.253 119.963 120.200 0.027 0.000 2.118 373 E HA -0.140 4.209 4.350 -0.002 0.000 0.195 373 E C 1.793 178.434 176.600 0.068 0.000 0.992 373 E CA 1.463 57.897 56.400 0.058 0.000 0.804 373 E CB -0.082 29.672 29.700 0.091 0.000 0.741 373 E HN 0.363 nan 8.360 nan 0.000 0.458 374 V N 0.817 120.767 119.914 0.060 0.000 2.407 374 V HA -0.156 3.963 4.120 -0.002 0.000 0.245 374 V C 2.397 178.482 176.094 -0.016 0.000 1.041 374 V CA 1.554 63.884 62.300 0.051 0.000 1.040 374 V CB -0.580 31.248 31.823 0.009 0.000 0.671 374 V HN 0.403 nan 8.190 nan 0.000 0.455 375 A N -0.124 122.659 122.820 -0.061 0.000 1.972 375 A HA -0.242 4.077 4.320 -0.002 0.000 0.219 375 A C 2.155 179.725 177.584 -0.024 0.000 1.169 375 A CA 2.033 54.033 52.037 -0.062 0.000 0.635 375 A CB -0.426 18.525 19.000 -0.081 0.000 0.810 375 A HN 0.530 nan 8.150 nan 0.000 0.446 376 E N 0.081 120.277 120.200 -0.006 0.000 2.072 376 E HA 0.017 4.366 4.350 -0.002 0.000 0.190 376 E C 2.069 178.679 176.600 0.016 0.000 0.982 376 E CA 1.306 57.710 56.400 0.007 0.000 0.803 376 E CB -0.427 29.283 29.700 0.016 0.000 0.755 376 E HN 0.472 nan 8.360 nan 0.000 0.453 377 A N 0.658 123.495 122.820 0.029 0.000 1.933 377 A HA -0.073 4.246 4.320 -0.002 0.000 0.218 377 A C 2.389 179.986 177.584 0.022 0.000 1.175 377 A CA 1.933 53.992 52.037 0.036 0.000 0.628 377 A CB -0.890 18.146 19.000 0.061 0.000 0.814 377 A HN 0.348 nan 8.150 nan 0.000 0.444 378 A N -0.369 122.457 122.820 0.010 0.000 1.902 378 A HA -0.151 4.168 4.320 -0.002 0.000 0.217 378 A C 2.238 179.825 177.584 0.005 0.000 1.181 378 A CA 1.474 53.513 52.037 0.003 0.000 0.623 378 A CB -0.454 18.540 19.000 -0.011 0.000 0.818 378 A HN 0.523 nan 8.150 nan 0.000 0.443 379 R N -0.331 120.170 120.500 0.003 0.000 2.120 379 R HA -0.069 4.270 4.340 -0.002 0.000 0.234 379 R C 0.841 177.146 176.300 0.008 0.000 1.123 379 R CA 1.244 57.346 56.100 0.004 0.000 0.975 379 R CB -0.210 30.090 30.300 0.001 0.000 0.866 379 R HN 0.467 nan 8.270 nan 0.000 0.446 380 N N -0.641 118.066 118.700 0.012 0.000 2.461 380 N HA 0.007 4.746 4.740 -0.002 0.000 0.188 380 N C 0.859 176.378 175.510 0.015 0.000 1.134 380 N CA 1.051 54.109 53.050 0.014 0.000 0.878 380 N CB 1.108 39.606 38.487 0.018 0.000 0.972 380 N HN 0.443 nan 8.380 nan 0.000 0.456 381 G N -0.606 108.202 108.800 0.014 0.000 2.184 381 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.206 381 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.206 381 G C 0.125 175.034 174.900 0.015 0.000 0.995 381 G CA -0.011 45.098 45.100 0.015 0.000 0.651 381 G HN 0.300 nan 8.290 nan 0.000 0.511 382 T N 1.813 116.375 114.554 0.014 0.000 2.834 382 T HA 0.515 4.864 4.350 -0.002 0.000 0.298 382 T C 1.048 175.745 174.700 -0.006 0.000 0.966 382 T CA 0.501 62.606 62.100 0.008 0.000 1.141 382 T CB 1.479 70.358 68.868 0.018 0.000 0.905 382 T HN 1.018 nan 8.240 nan 0.000 0.535 383 G N 2.355 111.140 108.800 -0.025 0.000 2.483 383 G HA2 0.471 4.430 3.960 -0.002 0.000 0.248 383 G HA3 0.471 4.430 3.960 -0.002 0.000 0.248 383 G C -0.805 174.038 174.900 -0.095 0.000 1.248 383 G CA -0.511 44.558 45.100 -0.051 0.000 0.838 383 G HN 0.506 nan 8.290 nan 0.000 0.566 384 L N 1.583 122.751 121.223 -0.092 0.000 2.322 384 L HA 0.505 4.844 4.340 -0.002 0.000 0.281 384 L C 0.058 176.825 176.870 -0.172 0.000 1.014 384 L CA -0.509 54.275 54.840 -0.093 0.000 0.815 384 L CB 1.802 43.839 42.059 -0.037 0.000 1.247 384 L HN 0.379 nan 8.230 nan 0.000 0.421 385 I N 4.679 125.132 120.570 -0.196 0.000 2.355 385 I HA 0.341 4.510 4.170 -0.002 0.000 0.288 385 I C -0.651 175.482 176.117 0.028 0.000 0.999 385 I CA -0.422 60.722 61.300 -0.260 0.000 1.163 385 I CB 1.118 38.788 38.000 -0.549 0.000 1.316 385 I HN 0.298 nan 8.210 nan 0.000 0.454 386 L N 6.401 127.670 121.223 0.077 0.000 2.264 386 L HA 0.423 4.762 4.340 -0.002 0.000 0.289 386 L C 0.143 177.194 176.870 0.302 0.000 1.044 386 L CA -0.165 54.804 54.840 0.216 0.000 0.807 386 L CB 1.143 43.314 42.059 0.186 0.000 1.192 386 L HN 0.685 nan 8.230 nan 0.000 0.425 387 S N 2.077 117.988 115.700 0.352 0.000 2.486 387 S HA 0.368 4.837 4.470 -0.002 0.000 0.144 387 S C -2.717 172.086 174.600 0.337 0.000 1.542 387 S CA -1.260 57.188 58.200 0.414 0.000 1.262 387 S CB 0.751 64.292 63.200 0.569 0.000 1.462 387 S HN 0.243 nan 8.310 nan 0.000 0.381 388 P HA 0.218 nan 4.420 nan 0.000 0.264 388 P C 1.055 178.224 177.300 -0.218 0.000 1.193 388 P CA 0.046 63.051 63.100 -0.158 0.000 0.763 388 P CB 0.635 32.079 31.700 -0.426 0.000 0.810 389 A N 4.054 126.599 122.820 -0.459 0.000 2.019 389 A HA -0.174 4.145 4.320 -0.002 0.000 0.219 389 A C 1.319 178.570 177.584 -0.556 0.000 1.164 389 A CA 1.803 53.279 52.037 -0.934 0.000 0.644 389 A CB -0.868 17.608 19.000 -0.874 0.000 0.805 389 A HN 0.614 nan 8.150 nan 0.000 0.449 390 D N -2.310 117.854 120.400 -0.394 0.000 2.395 390 D HA 0.104 4.742 4.640 -0.002 0.000 0.226 390 D C 1.201 177.370 176.300 -0.218 0.000 1.146 390 D CA -0.086 53.731 54.000 -0.304 0.000 0.830 390 D CB 0.099 40.739 40.800 -0.266 0.000 0.958 390 D HN 0.333 nan 8.370 nan 0.000 0.501 391 R N -0.541 119.841 120.500 -0.197 0.000 3.749 391 R HA 0.090 4.429 4.340 -0.002 0.000 0.142 391 R C 1.517 177.866 176.300 0.081 0.000 0.750 391 R CA 1.384 57.394 56.100 -0.151 0.000 1.004 391 R CB -0.712 29.262 30.300 -0.543 0.000 1.509 391 R HN 0.281 nan 8.270 nan 0.000 0.494 392 T N -1.695 112.956 114.554 0.162 0.000 3.134 392 T HA 0.262 4.611 4.350 -0.002 0.000 0.260 392 T C -0.085 174.830 174.700 0.358 0.000 1.027 392 T CA -0.233 62.046 62.100 0.299 0.000 0.913 392 T CB -0.172 68.921 68.868 0.374 0.000 1.046 392 T HN -0.106 nan 8.240 nan 0.000 0.553 393 Y N 2.303 122.656 120.300 0.089 0.000 2.584 393 Y HA 0.406 4.955 4.550 -0.002 0.000 0.351 393 Y C 1.301 177.224 175.900 0.038 0.000 1.030 393 Y CA -1.982 56.188 58.100 0.116 0.000 1.332 393 Y CB 0.236 38.775 38.460 0.131 0.000 1.148 393 Y HN 0.186 nan 8.280 nan 0.000 0.528 394 L N 2.195 123.465 121.223 0.078 0.000 2.456 394 L HA -0.131 4.208 4.340 -0.002 0.000 0.224 394 L C 1.633 178.485 176.870 -0.029 0.000 1.148 394 L CA 0.893 55.734 54.840 0.003 0.000 0.825 394 L CB -0.109 41.937 42.059 -0.021 0.000 0.937 394 L HN 0.582 nan 8.230 nan 0.000 0.450 395 D N -1.052 119.374 120.400 0.042 0.000 2.349 395 D HA -0.061 4.578 4.640 -0.002 0.000 0.215 395 D C 0.895 177.213 176.300 0.030 0.000 1.016 395 D CA -0.043 53.997 54.000 0.066 0.000 0.870 395 D CB 0.160 41.072 40.800 0.188 0.000 0.917 395 D HN 0.142 nan 8.370 nan 0.000 0.524 396 M N 1.553 121.146 119.600 -0.012 0.000 2.217 396 M HA 0.161 4.640 4.480 -0.002 0.000 0.354 396 M C 0.016 176.199 176.300 -0.194 0.000 1.225 396 M CA -0.301 54.941 55.300 -0.097 0.000 1.137 396 M CB 0.969 33.486 32.600 -0.138 0.000 1.576 396 M HN -0.255 nan 8.290 nan 0.000 0.461 397 K N 3.154 123.498 120.400 -0.092 0.000 2.414 397 K HA -0.044 4.275 4.320 -0.002 0.000 0.272 397 K C 0.088 176.639 176.600 -0.082 0.000 0.993 397 K CA 0.265 56.515 56.287 -0.063 0.000 0.964 397 K CB 0.373 32.995 32.500 0.205 0.000 0.925 397 K HN 0.594 nan 8.250 nan 0.000 0.487 398 Y N 0.284 120.539 120.300 -0.074 0.000 2.243 398 Y HA -0.119 4.430 4.550 -0.002 0.000 0.293 398 Y C 1.557 177.420 175.900 -0.061 0.000 1.124 398 Y CA 0.849 58.866 58.100 -0.139 0.000 1.159 398 Y CB 0.150 38.248 38.460 -0.603 0.000 1.008 398 Y HN 0.709 nan 8.280 nan 0.000 0.527 399 T N -3.193 111.343 114.554 -0.030 0.000 2.754 399 T HA 0.238 4.587 4.350 -0.002 0.000 0.296 399 T C 0.492 174.734 174.700 -0.762 0.000 1.205 399 T CA -0.758 61.090 62.100 -0.419 0.000 1.009 399 T CB 1.844 70.609 68.868 -0.172 0.000 1.368 399 T HN 0.158 nan 8.240 nan 0.000 0.509 400 K N -0.113 119.633 120.400 -1.089 0.000 2.360 400 K HA -0.054 4.265 4.320 -0.002 0.000 0.201 400 K C 0.477 176.983 176.600 -0.157 0.000 1.046 400 K CA 1.411 57.339 56.287 -0.599 0.000 0.945 400 K CB -0.235 32.064 32.500 -0.334 0.000 0.750 400 K HN 0.471 nan 8.250 nan 0.000 0.464 401 D N 1.281 121.609 120.400 -0.120 0.000 2.350 401 D HA -0.000 4.639 4.640 -0.002 0.000 0.213 401 D C -0.183 176.147 176.300 0.050 0.000 1.031 401 D CA 0.337 54.333 54.000 -0.006 0.000 0.861 401 D CB 0.271 41.080 40.800 0.016 0.000 0.926 401 D HN 0.138 nan 8.370 nan 0.000 0.520 402 T N 3.454 118.044 114.554 0.060 0.000 2.871 402 T HA 0.027 4.375 4.350 -0.002 0.000 0.296 402 T C -1.223 173.555 174.700 0.130 0.000 0.998 402 T CA -0.709 61.478 62.100 0.145 0.000 1.162 402 T CB 1.510 70.467 68.868 0.148 0.000 0.947 402 T HN 0.095 nan 8.240 nan 0.000 0.536 403 P HA 0.117 nan 4.420 nan 0.000 0.237 403 P C -0.048 177.296 177.300 0.073 0.000 1.178 403 P CA 0.542 63.681 63.100 0.065 0.000 0.766 403 P CB 0.408 32.106 31.700 -0.004 0.000 0.876 404 L N -2.220 119.079 121.223 0.126 0.000 2.250 404 L HA 0.709 5.048 4.340 -0.002 0.000 0.252 404 L C 0.567 177.509 176.870 0.119 0.000 1.054 404 L CA -0.513 54.399 54.840 0.120 0.000 0.856 404 L CB 1.430 43.577 42.059 0.147 0.000 1.443 404 L HN 0.030 nan 8.230 nan 0.000 0.427 405 G N 0.089 108.954 108.800 0.108 0.000 2.760 405 G HA2 -0.129 3.829 3.960 -0.002 0.000 0.246 405 G HA3 -0.129 3.829 3.960 -0.002 0.000 0.246 405 G C -1.308 173.656 174.900 0.106 0.000 1.359 405 G CA -0.666 44.489 45.100 0.092 0.000 0.861 405 G HN 0.489 nan 8.290 nan 0.000 0.541 406 L N -0.515 120.769 121.223 0.103 0.000 2.271 406 L HA 0.791 5.130 4.340 -0.002 0.000 0.265 406 L C 1.320 178.206 176.870 0.026 0.000 1.013 406 L CA -0.202 54.713 54.840 0.125 0.000 0.820 406 L CB 2.222 44.432 42.059 0.252 0.000 1.352 406 L HN 1.186 nan 8.230 nan 0.000 0.443 407 S N -2.552 113.152 115.700 0.006 0.000 3.009 407 S HA -0.002 4.467 4.470 -0.002 0.000 0.254 407 S C 0.923 175.393 174.600 -0.216 0.000 1.004 407 S CA -0.855 57.228 58.200 -0.195 0.000 1.119 407 S CB -0.184 62.912 63.200 -0.174 0.000 1.075 407 S HN 0.855 nan 8.310 nan 0.000 0.618 408 W N 1.562 122.800 121.300 -0.103 0.000 2.392 408 W HA 0.219 4.878 4.660 -0.002 0.000 0.279 408 W C 0.969 177.414 176.519 -0.123 0.000 1.225 408 W CA 0.736 58.023 57.345 -0.097 0.000 1.233 408 W CB -0.871 28.556 29.460 -0.055 0.000 1.122 408 W HN 0.477 nan 8.180 nan 0.000 0.561 409 A N 1.319 123.591 122.820 -0.914 0.000 2.415 409 A HA 0.527 4.845 4.320 -0.002 0.000 0.248 409 A C 1.143 178.419 177.584 -0.514 0.000 1.299 409 A CA 0.893 52.413 52.037 -0.862 0.000 0.899 409 A CB -1.011 17.167 19.000 -1.370 0.000 0.997 409 A HN 0.664 nan 8.150 nan 0.000 0.506 410 G N -1.114 107.400 108.800 -0.477 0.000 2.632 410 G HA2 -0.157 3.802 3.960 -0.002 0.000 0.224 410 G HA3 -0.157 3.802 3.960 -0.002 0.000 0.224 410 G C -0.572 173.957 174.900 -0.617 0.000 1.341 410 G CA -0.271 44.518 45.100 -0.518 0.000 0.880 410 G HN 0.437 nan 8.290 nan 0.000 0.566 411 Y N -1.214 119.032 120.300 -0.091 0.000 2.387 411 Y HA 0.602 5.151 4.550 -0.002 0.000 0.330 411 Y C 0.705 176.566 175.900 -0.065 0.000 1.133 411 Y CA -0.819 57.238 58.100 -0.070 0.000 1.152 411 Y CB 2.211 40.662 38.460 -0.015 0.000 1.215 411 Y HN 0.471 nan 8.280 nan 0.000 0.466 412 V N 3.041 123.019 119.914 0.107 0.000 2.385 412 V HA 0.231 4.350 4.120 -0.002 0.000 0.277 412 V C -0.089 176.104 176.094 0.165 0.000 1.012 412 V CA -0.954 61.388 62.300 0.069 0.000 0.832 412 V CB 0.792 32.610 31.823 -0.009 0.000 1.028 412 V HN 0.707 nan 8.190 nan 0.000 0.436 413 E N 1.802 122.123 120.200 0.202 0.000 2.376 413 E HA 0.261 4.610 4.350 -0.002 0.000 0.254 413 E C 1.181 177.948 176.600 0.279 0.000 1.213 413 E CA -0.092 56.488 56.400 0.301 0.000 0.945 413 E CB 1.841 31.672 29.700 0.217 0.000 1.057 413 E HN 0.283 nan 8.360 nan 0.000 0.479 414 V N 1.124 121.242 119.914 0.341 0.000 2.287 414 V HA -0.310 3.809 4.120 -0.002 0.000 0.248 414 V C 2.542 178.694 176.094 0.097 0.000 1.053 414 V CA 2.460 64.963 62.300 0.338 0.000 1.027 414 V CB -0.582 31.527 31.823 0.477 0.000 0.646 414 V HN 0.670 nan 8.190 nan 0.000 0.447 415 Q N 0.319 119.901 119.800 -0.363 0.000 2.050 415 Q HA -0.268 4.071 4.340 -0.002 0.000 0.202 415 Q C 2.495 178.363 176.000 -0.220 0.000 0.980 415 Q CA 2.084 57.339 55.803 -0.914 0.000 0.840 415 Q CB -0.224 27.674 28.738 -1.400 0.000 0.898 415 Q HN 0.575 nan 8.270 nan 0.000 0.424 416 R N -0.196 120.255 120.500 -0.081 0.000 2.091 416 R HA -0.150 4.189 4.340 -0.002 0.000 0.238 416 R C 2.429 178.820 176.300 0.152 0.000 1.136 416 R CA 1.679 57.798 56.100 0.031 0.000 0.959 416 R CB -0.480 29.831 30.300 0.019 0.000 0.856 416 R HN 0.251 nan 8.270 nan 0.000 0.437 417 S N -0.808 115.016 115.700 0.206 0.000 2.399 417 S HA -0.191 4.277 4.470 -0.002 0.000 0.231 417 S C 1.580 176.501 174.600 0.534 0.000 1.022 417 S CA 1.204 59.597 58.200 0.322 0.000 0.983 417 S CB -0.248 63.136 63.200 0.308 0.000 0.803 417 S HN 0.612 nan 8.310 nan 0.000 0.480 418 Y N 1.158 121.643 120.300 0.308 0.000 2.441 418 Y HA 0.323 4.872 4.550 -0.002 0.000 0.288 418 Y C 0.698 176.806 175.900 0.348 0.000 1.118 418 Y CA 0.486 58.730 58.100 0.240 0.000 1.215 418 Y CB -0.060 38.492 38.460 0.154 0.000 1.118 418 Y HN 0.102 nan 8.280 nan 0.000 0.547 419 D N 2.913 123.532 120.400 0.365 0.000 2.662 419 D HA 0.045 4.684 4.640 -0.002 0.000 0.228 419 D C -0.863 175.655 176.300 0.363 0.000 1.093 419 D CA 0.334 54.536 54.000 0.335 0.000 1.075 419 D CB -0.860 40.080 40.800 0.233 0.000 1.122 419 D HN 0.399 nan 8.370 nan 0.000 0.475 420 W N 0.360 121.593 121.300 -0.113 0.000 3.005 420 W HA 0.420 5.079 4.660 -0.001 0.000 0.343 420 W C -1.683 174.628 176.519 -0.348 0.000 1.243 420 W CA -1.019 56.234 57.345 -0.153 0.000 1.186 420 W CB 0.442 29.885 29.460 -0.028 0.000 1.453 420 W HN -0.149 nan 8.180 nan 0.000 0.575 421 D N 1.464 121.830 120.400 -0.056 0.000 2.505 421 D HA 0.444 5.083 4.640 -0.002 0.000 0.250 421 D C -1.827 174.488 176.300 0.025 0.000 1.164 421 D CA -2.414 51.454 54.000 -0.220 0.000 0.870 421 D CB 2.708 43.418 40.800 -0.151 0.000 1.160 421 D HN -0.162 nan 8.370 nan 0.000 0.549 422 P HA -0.115 nan 4.420 nan 0.000 0.217 422 P C 1.019 178.412 177.300 0.155 0.000 1.148 422 P CA 1.388 64.500 63.100 0.021 0.000 0.828 422 P CB 0.301 31.855 31.700 -0.244 0.000 0.783 423 A N -0.486 122.426 122.820 0.153 0.000 1.933 423 A HA -0.009 4.310 4.320 -0.002 0.000 0.218 423 A C 2.075 179.723 177.584 0.106 0.000 1.175 423 A CA 1.902 54.025 52.037 0.143 0.000 0.628 423 A CB -1.391 17.665 19.000 0.094 0.000 0.814 423 A HN 0.324 nan 8.150 nan 0.000 0.444 424 G N -3.048 105.818 108.800 0.110 0.000 3.899 424 G HA2 0.304 4.263 3.960 -0.002 0.000 0.293 424 G HA3 0.304 4.263 3.960 -0.002 0.000 0.293 424 G C 0.684 175.649 174.900 0.107 0.000 1.054 424 G CA 0.429 45.576 45.100 0.079 0.000 0.846 424 G HN 0.394 nan 8.290 nan 0.000 0.525 425 Y N 0.714 121.052 120.300 0.064 0.000 2.153 425 Y HA 0.250 4.799 4.550 -0.002 0.000 0.289 425 Y C 0.866 176.744 175.900 -0.037 0.000 1.127 425 Y CA 0.496 58.640 58.100 0.074 0.000 1.131 425 Y CB 0.134 38.719 38.460 0.210 0.000 0.995 425 Y HN 0.107 nan 8.280 nan 0.000 0.505 426 L N 3.285 124.414 121.223 -0.155 0.000 2.261 426 L HA 0.412 4.751 4.340 -0.002 0.000 0.289 426 L C -2.568 174.172 176.870 -0.216 0.000 1.059 426 L CA -2.243 52.395 54.840 -0.337 0.000 0.816 426 L CB 0.416 42.295 42.059 -0.300 0.000 1.191 426 L HN -0.035 nan 8.230 nan 0.000 0.431 427 P HA 0.155 nan 4.420 nan 0.000 0.261 427 P C 0.736 177.971 177.300 -0.109 0.000 1.173 427 P CA 0.984 63.997 63.100 -0.144 0.000 0.760 427 P CB 0.519 32.133 31.700 -0.144 0.000 0.783 428 G N 2.124 110.880 108.800 -0.073 0.000 2.189 428 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.267 428 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.267 428 G C 0.438 175.309 174.900 -0.048 0.000 0.975 428 G CA 0.087 45.154 45.100 -0.054 0.000 0.644 428 G HN 0.880 nan 8.290 nan 0.000 0.537 429 A N 0.759 123.544 122.820 -0.058 0.000 2.366 429 A HA 0.688 5.007 4.320 -0.002 0.000 0.272 429 A C -1.609 175.964 177.584 -0.017 0.000 1.135 429 A CA -1.009 51.001 52.037 -0.045 0.000 0.804 429 A CB 0.417 19.377 19.000 -0.066 0.000 1.064 429 A HN 0.166 nan 8.150 nan 0.000 0.499 430 P HA 0.206 nan 4.420 nan 0.000 0.267 430 P C 0.873 178.186 177.300 0.022 0.000 1.209 430 P CA 0.446 63.550 63.100 0.006 0.000 0.763 430 P CB 1.077 32.781 31.700 0.006 0.000 0.816 431 A N 4.354 127.192 122.820 0.030 0.000 1.940 431 A HA -0.217 4.102 4.320 -0.002 0.000 0.219 431 A C 1.688 179.318 177.584 0.077 0.000 1.176 431 A CA 1.930 54.002 52.037 0.058 0.000 0.631 431 A CB -0.971 18.058 19.000 0.047 0.000 0.814 431 A HN 0.661 nan 8.150 nan 0.000 0.446 432 D N -0.110 120.321 120.400 0.051 0.000 2.371 432 D HA 0.106 4.745 4.640 -0.002 0.000 0.221 432 D C 1.452 177.788 176.300 0.060 0.000 0.986 432 D CA 0.977 55.009 54.000 0.054 0.000 0.899 432 D CB -0.178 40.640 40.800 0.030 0.000 0.902 432 D HN 0.421 nan 8.370 nan 0.000 0.530 433 A N 0.606 123.455 122.820 0.049 0.000 2.132 433 A HA 0.171 4.490 4.320 -0.002 0.000 0.213 433 A C 1.202 178.804 177.584 0.031 0.000 1.154 433 A CA -0.144 51.913 52.037 0.033 0.000 0.753 433 A CB 0.054 19.063 19.000 0.014 0.000 0.826 433 A HN 0.134 nan 8.150 nan 0.000 0.469 434 V N 2.335 122.285 119.914 0.059 0.000 2.415 434 V HA 0.066 4.185 4.120 -0.002 0.000 0.267 434 V C 1.160 177.291 176.094 0.063 0.000 1.042 434 V CA -0.212 62.103 62.300 0.025 0.000 1.000 434 V CB 0.357 32.204 31.823 0.039 0.000 1.015 434 V HN 0.428 nan 8.190 nan 0.000 0.478 435 R N 3.349 123.839 120.500 -0.018 0.000 2.161 435 R HA 0.303 4.641 4.340 -0.002 0.000 0.213 435 R C 0.975 177.328 176.300 0.089 0.000 1.055 435 R CA 0.839 56.983 56.100 0.073 0.000 0.996 435 R CB 0.149 30.444 30.300 -0.008 0.000 0.901 435 R HN 0.893 nan 8.270 nan 0.000 0.456 436 G N -0.587 108.085 108.800 -0.214 0.000 2.398 436 G HA2 0.190 4.149 3.960 -0.002 0.000 0.251 436 G HA3 0.190 4.149 3.960 -0.002 0.000 0.251 436 G C -1.333 173.449 174.900 -0.197 0.000 1.277 436 G CA -0.231 44.677 45.100 -0.320 0.000 0.927 436 G HN 0.143 nan 8.290 nan 0.000 0.477 437 V N -2.698 117.252 119.914 0.059 0.000 3.141 437 V HA 0.980 5.099 4.120 -0.002 0.000 0.312 437 V C -0.694 175.629 176.094 0.381 0.000 1.157 437 V CA -0.409 61.995 62.300 0.172 0.000 1.041 437 V CB 1.881 33.765 31.823 0.101 0.000 1.071 437 V HN 1.290 nan 8.190 nan 0.000 0.441 438 E N 0.574 121.005 120.200 0.385 0.000 2.366 438 E HA 0.753 5.101 4.350 -0.002 0.000 0.278 438 E C -1.269 175.546 176.600 0.358 0.000 0.923 438 E CA -0.699 55.951 56.400 0.416 0.000 0.761 438 E CB 2.286 32.251 29.700 0.442 0.000 1.231 438 E HN 1.393 nan 8.360 nan 0.000 0.443 439 A N 4.828 127.811 122.820 0.272 0.000 2.399 439 A HA 0.537 4.856 4.320 -0.002 0.000 0.327 439 A C -2.635 174.952 177.584 0.005 0.000 1.367 439 A CA -1.541 50.604 52.037 0.180 0.000 0.842 439 A CB 0.635 19.741 19.000 0.177 0.000 1.142 439 A HN 0.314 nan 8.150 nan 0.000 0.495 440 P HA 0.372 nan 4.420 nan 0.000 0.284 440 P C -0.742 176.231 177.300 -0.546 0.000 1.253 440 P CA -0.326 62.504 63.100 -0.449 0.000 0.800 440 P CB 1.145 32.453 31.700 -0.654 0.000 0.961 441 L N 4.797 125.636 121.223 -0.640 0.000 2.366 441 L HA 0.472 4.811 4.340 -0.002 0.000 0.266 441 L C -1.489 175.054 176.870 -0.545 0.000 1.010 441 L CA -0.771 53.790 54.840 -0.466 0.000 0.879 441 L CB -0.055 41.781 42.059 -0.372 0.000 1.228 441 L HN 0.298 nan 8.230 nan 0.000 0.439 442 W N 2.665 123.818 121.300 -0.245 0.000 2.202 442 W HA 0.446 5.105 4.660 -0.002 0.000 0.332 442 W C 1.166 177.641 176.519 -0.074 0.000 1.263 442 W CA -0.075 57.150 57.345 -0.200 0.000 1.223 442 W CB 1.147 30.485 29.460 -0.202 0.000 1.128 442 W HN 0.626 nan 8.180 nan 0.000 0.573 443 T N -2.086 112.616 114.554 0.248 0.000 3.266 443 T HA 0.159 4.508 4.350 -0.002 0.000 0.278 443 T C 0.762 175.687 174.700 0.375 0.000 1.010 443 T CA -0.337 61.934 62.100 0.284 0.000 0.909 443 T CB -0.055 69.036 68.868 0.373 0.000 1.122 443 T HN 0.297 nan 8.240 nan 0.000 0.536 444 E N 2.146 122.510 120.200 0.274 0.000 2.130 444 E HA -0.115 4.234 4.350 -0.002 0.000 0.196 444 E C 2.139 178.921 176.600 0.304 0.000 0.998 444 E CA 2.023 58.560 56.400 0.229 0.000 0.806 444 E CB -0.169 29.623 29.700 0.153 0.000 0.738 444 E HN 0.794 nan 8.360 nan 0.000 0.459 445 T N -2.665 112.035 114.554 0.244 0.000 3.054 445 T HA 0.272 4.621 4.350 -0.002 0.000 0.255 445 T C 0.266 175.015 174.700 0.082 0.000 1.035 445 T CA -0.317 61.885 62.100 0.170 0.000 0.941 445 T CB 0.021 68.968 68.868 0.131 0.000 1.026 445 T HN -0.101 nan 8.240 nan 0.000 0.533 446 L N 2.218 123.495 121.223 0.089 0.000 2.325 446 L HA 0.573 4.912 4.340 -0.002 0.000 0.281 446 L C 0.758 177.560 176.870 -0.113 0.000 1.004 446 L CA -0.762 54.099 54.840 0.036 0.000 0.823 446 L CB 2.010 44.141 42.059 0.120 0.000 1.236 446 L HN 0.203 nan 8.230 nan 0.000 0.415 447 S N -0.762 114.797 115.700 -0.235 0.000 2.603 447 S HA 0.212 4.681 4.470 -0.002 0.000 0.232 447 S C -0.162 174.381 174.600 -0.095 0.000 1.016 447 S CA -0.356 57.607 58.200 -0.395 0.000 0.976 447 S CB -0.129 62.737 63.200 -0.558 0.000 0.921 447 S HN 0.770 nan 8.310 nan 0.000 0.516 448 D N -0.728 119.768 120.400 0.159 0.000 2.596 448 D HA 0.509 5.148 4.640 -0.002 0.000 0.234 448 D C -2.721 173.755 176.300 0.295 0.000 1.181 448 D CA -1.810 52.328 54.000 0.229 0.000 0.856 448 D CB 0.987 41.834 40.800 0.078 0.000 1.498 448 D HN -0.253 nan 8.370 nan 0.000 0.446 449 P HA -0.144 nan 4.420 nan 0.000 0.217 449 P C 0.426 177.793 177.300 0.112 0.000 1.151 449 P CA 1.154 64.336 63.100 0.138 0.000 0.849 449 P CB 0.137 31.913 31.700 0.128 0.000 0.787 450 D N -1.012 119.451 120.400 0.104 0.000 2.144 450 D HA -0.138 4.501 4.640 -0.002 0.000 0.200 450 D C 2.035 178.413 176.300 0.131 0.000 0.978 450 D CA 1.042 55.101 54.000 0.098 0.000 0.833 450 D CB -0.482 40.355 40.800 0.062 0.000 0.961 450 D HN 0.345 nan 8.370 nan 0.000 0.470 451 Q N 0.035 119.906 119.800 0.117 0.000 2.119 451 Q HA -0.005 4.334 4.340 -0.002 0.000 0.201 451 Q C 2.487 178.589 176.000 0.168 0.000 0.972 451 Q CA 0.494 56.380 55.803 0.140 0.000 0.847 451 Q CB 0.037 28.830 28.738 0.093 0.000 0.903 451 Q HN 0.312 nan 8.270 nan 0.000 0.433 452 L N 0.867 122.149 121.223 0.098 0.000 2.046 452 L HA -0.228 4.111 4.340 -0.002 0.000 0.208 452 L C 1.843 178.836 176.870 0.205 0.000 1.077 452 L CA 1.022 55.884 54.840 0.036 0.000 0.747 452 L CB -0.520 41.445 42.059 -0.156 0.000 0.896 452 L HN 0.220 nan 8.230 nan 0.000 0.432 453 D N -0.667 119.891 120.400 0.263 0.000 2.097 453 D HA -0.245 4.394 4.640 -0.002 0.000 0.195 453 D C 1.946 178.486 176.300 0.400 0.000 0.989 453 D CA 1.352 55.575 54.000 0.372 0.000 0.827 453 D CB -0.262 40.650 40.800 0.186 0.000 0.966 453 D HN 0.305 nan 8.370 nan 0.000 0.456 454 Y N 0.640 121.066 120.300 0.210 0.000 2.274 454 Y HA -0.187 4.362 4.550 -0.002 0.000 0.290 454 Y C 2.043 178.138 175.900 0.324 0.000 1.145 454 Y CA 1.350 59.589 58.100 0.232 0.000 1.203 454 Y CB 0.033 38.588 38.460 0.158 0.000 0.984 454 Y HN -0.130 nan 8.280 nan 0.000 0.533 455 M N -1.078 118.669 119.600 0.244 0.000 2.435 455 M HA 0.151 4.630 4.480 -0.002 0.000 0.265 455 M C 2.302 178.655 176.300 0.090 0.000 1.104 455 M CA 1.078 56.441 55.300 0.106 0.000 1.140 455 M CB -1.329 31.320 32.600 0.081 0.000 1.372 455 M HN 0.377 nan 8.290 nan 0.000 0.456 456 A N -0.227 122.671 122.820 0.130 0.000 1.930 456 A HA 0.088 4.407 4.320 -0.002 0.000 0.215 456 A C 0.591 178.063 177.584 -0.187 0.000 1.176 456 A CA 0.656 52.686 52.037 -0.012 0.000 0.632 456 A CB -0.223 18.795 19.000 0.030 0.000 0.819 456 A HN 0.291 nan 8.150 nan 0.000 0.445 457 F N -0.739 119.217 119.950 0.010 0.000 2.422 457 F HA 0.424 4.950 4.527 -0.002 0.000 0.333 457 F C -1.632 174.229 175.800 0.102 0.000 1.095 457 F CA -2.199 55.729 58.000 -0.120 0.000 1.038 457 F CB 1.546 40.230 39.000 -0.526 0.000 1.156 457 F HN -0.040 nan 8.300 nan 0.000 0.483 458 P HA 0.134 nan 4.420 nan 0.000 0.261 458 P C 0.610 178.114 177.300 0.340 0.000 1.352 458 P CA 0.366 63.700 63.100 0.391 0.000 0.891 458 P CB 0.215 32.395 31.700 0.800 0.000 1.383 459 R N -0.555 120.111 120.500 0.278 0.000 2.153 459 R HA 0.024 4.363 4.340 -0.002 0.000 0.218 459 R C 2.173 178.550 176.300 0.128 0.000 1.072 459 R CA 0.367 56.624 56.100 0.262 0.000 0.990 459 R CB -0.836 29.632 30.300 0.280 0.000 0.889 459 R HN 0.126 nan 8.270 nan 0.000 0.452 460 L N 2.019 123.193 121.223 -0.081 0.000 2.021 460 L HA -0.137 4.202 4.340 -0.002 0.000 0.215 460 L C -1.033 175.799 176.870 -0.063 0.000 1.074 460 L CA 2.116 56.877 54.840 -0.130 0.000 0.760 460 L CB -0.862 40.886 42.059 -0.519 0.000 0.889 460 L HN 0.023 nan 8.230 nan 0.000 0.433 461 P HA -0.101 nan 4.420 nan 0.000 0.216 461 P C 1.617 178.926 177.300 0.014 0.000 1.150 461 P CA 1.764 64.616 63.100 -0.414 0.000 0.837 461 P CB -0.410 31.034 31.700 -0.427 0.000 0.786 462 G N -0.225 108.686 108.800 0.185 0.000 2.421 462 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.216 462 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.216 462 G C 1.583 176.591 174.900 0.180 0.000 1.171 462 G CA 0.825 46.057 45.100 0.220 0.000 0.775 462 G HN 0.158 nan 8.290 nan 0.000 0.543 463 V N 1.517 121.546 119.914 0.191 0.000 2.515 463 V HA -0.089 4.030 4.120 -0.002 0.000 0.250 463 V C 3.278 179.403 176.094 0.051 0.000 1.058 463 V CA 1.797 64.202 62.300 0.176 0.000 1.064 463 V CB -0.791 31.218 31.823 0.309 0.000 0.675 463 V HN 0.475 nan 8.190 nan 0.000 0.461 464 A N 0.027 122.803 122.820 -0.073 0.000 1.933 464 A HA -0.272 4.047 4.320 -0.002 0.000 0.218 464 A C 2.285 179.823 177.584 -0.077 0.000 1.175 464 A CA 1.990 53.794 52.037 -0.390 0.000 0.628 464 A CB -0.449 18.252 19.000 -0.498 0.000 0.814 464 A HN 0.639 nan 8.150 nan 0.000 0.444 465 E N -0.011 120.207 120.200 0.030 0.000 2.072 465 E HA -0.130 4.219 4.350 -0.002 0.000 0.191 465 E C 1.858 178.516 176.600 0.097 0.000 0.985 465 E CA 0.958 57.431 56.400 0.123 0.000 0.801 465 E CB -0.247 29.554 29.700 0.167 0.000 0.750 465 E HN 0.615 nan 8.360 nan 0.000 0.452 466 L N -0.007 121.207 121.223 -0.015 0.000 2.127 466 L HA -0.104 4.235 4.340 -0.002 0.000 0.211 466 L C 2.522 179.402 176.870 0.017 0.000 1.089 466 L CA 1.199 55.954 54.840 -0.142 0.000 0.757 466 L CB -0.494 41.309 42.059 -0.427 0.000 0.899 466 L HN 0.329 nan 8.230 nan 0.000 0.434 467 G N -1.448 107.399 108.800 0.077 0.000 2.494 467 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.216 467 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.216 467 G C 1.345 176.411 174.900 0.277 0.000 1.140 467 G CA -0.068 45.160 45.100 0.213 0.000 0.801 467 G HN 0.421 nan 8.290 nan 0.000 0.536 468 W N 1.466 122.777 121.300 0.018 0.000 2.728 468 W HA 0.324 4.983 4.660 -0.001 0.000 0.270 468 W C 0.148 176.655 176.519 -0.020 0.000 1.150 468 W CA 0.400 57.738 57.345 -0.011 0.000 1.518 468 W CB -0.198 29.232 29.460 -0.051 0.000 1.069 468 W HN 0.006 nan 8.180 nan 0.000 0.590 469 S N 2.055 117.945 115.700 0.316 0.000 2.593 469 S HA 0.186 4.655 4.470 -0.002 0.000 0.269 469 S C -2.356 172.259 174.600 0.025 0.000 1.334 469 S CA -0.815 57.511 58.200 0.211 0.000 1.015 469 S CB 0.674 64.019 63.200 0.242 0.000 0.912 469 S HN -0.094 nan 8.310 nan 0.000 0.541 470 P HA 0.224 nan 4.420 nan 0.000 0.275 470 P C 0.148 177.444 177.300 -0.006 0.000 1.227 470 P CA -0.239 62.833 63.100 -0.047 0.000 0.781 470 P CB 0.473 32.154 31.700 -0.032 0.000 0.906 471 A N 2.798 125.594 122.820 -0.041 0.000 1.986 471 A HA -0.218 4.101 4.320 -0.002 0.000 0.220 471 A C 2.083 179.689 177.584 0.036 0.000 1.171 471 A CA 2.397 54.422 52.037 -0.020 0.000 0.640 471 A CB -1.741 17.228 19.000 -0.052 0.000 0.811 471 A HN 0.619 nan 8.150 nan 0.000 0.451 472 S N -0.398 115.317 115.700 0.025 0.000 2.442 472 S HA -0.143 4.326 4.470 -0.002 0.000 0.236 472 S C 1.683 176.326 174.600 0.072 0.000 1.007 472 S CA 1.786 60.012 58.200 0.042 0.000 0.965 472 S CB -1.147 62.066 63.200 0.021 0.000 0.773 472 S HN 0.844 nan 8.310 nan 0.000 0.504 473 T N -2.121 112.486 114.554 0.089 0.000 3.081 473 T HA 0.090 4.439 4.350 -0.002 0.000 0.250 473 T C 0.665 175.457 174.700 0.154 0.000 1.100 473 T CA -0.241 61.924 62.100 0.109 0.000 1.038 473 T CB -0.669 68.266 68.868 0.111 0.000 0.962 473 T HN 0.574 nan 8.240 nan 0.000 0.516 474 H N 1.818 120.930 119.070 0.070 0.000 2.899 474 H HA 0.400 4.955 4.556 -0.002 0.000 0.303 474 H C -1.146 174.270 175.328 0.148 0.000 1.042 474 H CA 0.698 56.796 56.048 0.083 0.000 1.479 474 H CB 0.308 30.027 29.762 -0.071 0.000 1.493 474 H HN 0.412 nan 8.280 nan 0.000 0.534 475 D N 5.435 125.800 120.400 -0.058 0.000 2.614 475 D HA -0.035 4.604 4.640 -0.002 0.000 0.203 475 D C 0.610 177.034 176.300 0.207 0.000 1.312 475 D CA -0.612 53.452 54.000 0.107 0.000 0.889 475 D CB -0.057 40.807 40.800 0.108 0.000 1.615 475 D HN 0.622 nan 8.370 nan 0.000 0.567 476 W N 4.241 125.631 121.300 0.149 0.000 2.335 476 W HA -0.188 4.471 4.660 -0.002 0.000 0.311 476 W C 0.604 177.167 176.519 0.074 0.000 1.213 476 W CA 1.505 58.958 57.345 0.179 0.000 1.274 476 W CB 0.136 29.721 29.460 0.209 0.000 1.148 476 W HN 0.484 nan 8.180 nan 0.000 0.498 477 D N -0.041 120.288 120.400 -0.118 0.000 2.149 477 D HA -0.193 4.446 4.640 -0.002 0.000 0.198 477 D C 2.163 178.273 176.300 -0.317 0.000 0.990 477 D CA 2.835 56.673 54.000 -0.270 0.000 0.839 477 D CB -0.537 40.234 40.800 -0.049 0.000 0.948 477 D HN 0.324 nan 8.370 nan 0.000 0.460 478 T N -2.394 112.041 114.554 -0.198 0.000 3.044 478 T HA -0.096 4.253 4.350 -0.002 0.000 0.255 478 T C 2.012 176.558 174.700 -0.258 0.000 1.073 478 T CA 0.147 62.135 62.100 -0.186 0.000 1.125 478 T CB -0.520 68.300 68.868 -0.078 0.000 0.908 478 T HN 0.102 nan 8.240 nan 0.000 0.480 479 Y N 3.749 123.809 120.300 -0.400 0.000 2.200 479 Y HA -0.032 4.517 4.550 -0.002 0.000 0.290 479 Y C 2.381 177.887 175.900 -0.658 0.000 1.137 479 Y CA 1.720 59.519 58.100 -0.502 0.000 1.163 479 Y CB -0.295 37.737 38.460 -0.713 0.000 0.988 479 Y HN 0.286 nan 8.280 nan 0.000 0.518 480 K N -0.757 118.997 120.400 -1.076 0.000 2.211 480 K HA -0.115 4.204 4.320 -0.002 0.000 0.204 480 K C 1.679 177.780 176.600 -0.831 0.000 1.047 480 K CA 1.734 57.304 56.287 -1.195 0.000 0.935 480 K CB -0.786 30.812 32.500 -1.502 0.000 0.728 480 K HN 0.293 nan 8.250 nan 0.000 0.452 481 V N 1.667 121.200 119.914 -0.634 0.000 2.379 481 V HA -0.121 3.998 4.120 -0.002 0.000 0.245 481 V C 2.439 178.270 176.094 -0.439 0.000 1.044 481 V CA 1.554 63.584 62.300 -0.449 0.000 1.036 481 V CB -0.485 31.150 31.823 -0.314 0.000 0.664 481 V HN 0.356 nan 8.190 nan 0.000 0.453 482 R N -0.538 119.664 120.500 -0.496 0.000 2.115 482 R HA -0.089 4.250 4.340 -0.002 0.000 0.230 482 R C 2.196 178.174 176.300 -0.537 0.000 1.111 482 R CA 1.181 57.016 56.100 -0.442 0.000 0.976 482 R CB -0.395 29.678 30.300 -0.378 0.000 0.870 482 R HN 0.360 nan 8.270 nan 0.000 0.445 483 L N 0.677 121.428 121.223 -0.786 0.000 2.072 483 L HA 0.004 4.343 4.340 -0.002 0.000 0.205 483 L C 2.240 178.822 176.870 -0.481 0.000 1.079 483 L CA 1.717 56.166 54.840 -0.650 0.000 0.752 483 L CB -0.579 41.014 42.059 -0.778 0.000 0.906 483 L HN 0.084 nan 8.230 nan 0.000 0.436 484 A N -0.280 122.188 122.820 -0.586 0.000 1.940 484 A HA -0.162 4.156 4.320 -0.002 0.000 0.219 484 A C 2.393 179.892 177.584 -0.141 0.000 1.176 484 A CA 1.718 53.484 52.037 -0.452 0.000 0.631 484 A CB -1.154 17.562 19.000 -0.473 0.000 0.814 484 A HN 0.564 nan 8.150 nan 0.000 0.446 485 A N -1.135 121.547 122.820 -0.229 0.000 2.125 485 A HA -0.111 4.208 4.320 -0.002 0.000 0.219 485 A C 1.927 179.408 177.584 -0.171 0.000 1.156 485 A CA 1.397 53.345 52.037 -0.149 0.000 0.671 485 A CB -0.304 18.598 19.000 -0.163 0.000 0.794 485 A HN 0.526 nan 8.150 nan 0.000 0.459 486 Q N -0.501 119.040 119.800 -0.432 0.000 2.378 486 Q HA 0.060 4.399 4.340 -0.002 0.000 0.205 486 Q C 2.266 177.731 176.000 -0.893 0.000 0.954 486 Q CA 1.010 56.293 55.803 -0.866 0.000 0.901 486 Q CB -0.771 26.993 28.738 -1.623 0.000 0.981 486 Q HN 0.651 nan 8.270 nan 0.000 0.483 487 A N 2.823 125.365 122.820 -0.463 0.000 1.869 487 A HA -0.190 4.129 4.320 -0.002 0.000 0.218 487 A C -0.228 177.306 177.584 -0.083 0.000 1.203 487 A CA 1.983 53.870 52.037 -0.250 0.000 0.638 487 A CB -1.715 17.383 19.000 0.163 0.000 0.831 487 A HN 0.315 nan 8.150 nan 0.000 0.450 488 P HA -0.158 nan 4.420 nan 0.000 0.220 488 P C 0.944 178.167 177.300 -0.128 0.000 1.148 488 P CA 1.321 64.375 63.100 -0.078 0.000 0.803 488 P CB -0.262 31.351 31.700 -0.145 0.000 0.782 489 Y N -1.341 118.839 120.300 -0.200 0.000 2.163 489 Y HA -0.119 4.430 4.550 -0.002 0.000 0.288 489 Y C 2.721 178.601 175.900 -0.032 0.000 1.136 489 Y CA 1.112 59.118 58.100 -0.156 0.000 1.147 489 Y CB -1.308 36.997 38.460 -0.259 0.000 0.987 489 Y HN -0.066 nan 8.280 nan 0.000 0.509 490 W N 0.717 122.036 121.300 0.032 0.000 2.381 490 W HA -0.112 4.546 4.660 -0.002 0.000 0.301 490 W C 2.181 178.702 176.519 0.003 0.000 1.205 490 W CA 1.075 58.370 57.345 -0.083 0.000 1.285 490 W CB -1.167 28.097 29.460 -0.326 0.000 1.133 490 W HN 0.251 nan 8.180 nan 0.000 0.521 491 E N 0.098 120.455 120.200 0.262 0.000 2.085 491 E HA -0.161 4.187 4.350 -0.002 0.000 0.194 491 E C 2.326 178.985 176.600 0.098 0.000 0.994 491 E CA 1.663 58.175 56.400 0.187 0.000 0.801 491 E CB -0.410 29.374 29.700 0.141 0.000 0.743 491 E HN 0.112 nan 8.360 nan 0.000 0.453 492 A N 0.893 123.748 122.820 0.058 0.000 2.014 492 A HA 0.029 4.348 4.320 -0.002 0.000 0.218 492 A C 2.204 179.814 177.584 0.044 0.000 1.163 492 A CA 1.350 53.400 52.037 0.022 0.000 0.652 492 A CB -0.215 18.766 19.000 -0.031 0.000 0.808 492 A HN 0.268 nan 8.150 nan 0.000 0.449 493 A N -1.778 121.091 122.820 0.081 0.000 2.178 493 A HA 0.423 4.742 4.320 -0.002 0.000 0.211 493 A C 1.702 179.319 177.584 0.055 0.000 1.157 493 A CA 1.124 53.204 52.037 0.073 0.000 0.780 493 A CB -0.733 18.332 19.000 0.109 0.000 0.828 493 A HN 1.831 nan 8.150 nan 0.000 0.476 494 G N -0.512 108.328 108.800 0.066 0.000 2.182 494 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.248 494 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.248 494 G C -0.049 174.872 174.900 0.034 0.000 1.042 494 G CA 0.252 45.382 45.100 0.050 0.000 0.775 494 G HN 0.478 nan 8.290 nan 0.000 0.501 495 I N 1.152 121.741 120.570 0.031 0.000 2.306 495 I HA 0.230 4.399 4.170 -0.002 0.000 0.288 495 I C 0.293 176.422 176.117 0.020 0.000 1.036 495 I CA -0.751 60.485 61.300 -0.106 0.000 1.221 495 I CB 0.973 38.720 38.000 -0.421 0.000 1.385 495 I HN 0.080 nan 8.210 nan 0.000 0.472 496 D N 7.118 127.548 120.400 0.050 0.000 2.372 496 D HA 0.390 5.029 4.640 -0.002 0.000 0.243 496 D C -0.831 175.600 176.300 0.219 0.000 1.121 496 D CA 0.492 54.574 54.000 0.137 0.000 0.898 496 D CB 0.632 41.507 40.800 0.124 0.000 1.202 496 D HN 0.266 nan 8.370 nan 0.000 0.428 497 F N 1.013 120.977 119.950 0.024 0.000 2.668 497 F HA 0.356 4.882 4.527 -0.002 0.000 0.309 497 F C -1.757 174.030 175.800 -0.021 0.000 1.117 497 F CA -1.576 56.402 58.000 -0.036 0.000 0.951 497 F CB 0.494 39.373 39.000 -0.201 0.000 1.323 497 F HN 0.216 nan 8.300 nan 0.000 0.451 498 Y N 2.832 122.950 120.300 -0.303 0.000 2.436 498 Y HA 0.472 5.021 4.550 -0.002 0.000 0.343 498 Y C 0.274 176.012 175.900 -0.271 0.000 1.008 498 Y CA -0.768 57.032 58.100 -0.501 0.000 1.241 498 Y CB 0.782 38.588 38.460 -1.090 0.000 1.153 498 Y HN 0.664 nan 8.280 nan 0.000 0.521 499 R N 4.865 124.898 120.500 -0.778 0.000 3.710 499 R HA 0.084 4.423 4.340 -0.002 0.000 0.201 499 R C 0.381 176.405 176.300 -0.459 0.000 1.641 499 R CA -0.125 55.553 56.100 -0.703 0.000 1.390 499 R CB -0.135 29.746 30.300 -0.697 0.000 1.341 499 R HN 0.664 nan 8.270 nan 0.000 0.728 500 S N 2.569 118.018 115.700 -0.418 0.000 2.558 500 S HA 0.040 4.509 4.470 -0.002 0.000 0.293 500 S C -0.949 173.723 174.600 0.119 0.000 1.292 500 S CA -1.252 56.729 58.200 -0.365 0.000 1.063 500 S CB 0.659 63.917 63.200 0.097 0.000 0.831 500 S HN 0.386 nan 8.310 nan 0.000 0.499 501 P HA -0.053 nan 4.420 nan 0.000 0.237 501 P C 0.441 177.804 177.300 0.104 0.000 1.178 501 P CA 0.799 63.962 63.100 0.105 0.000 0.766 501 P CB 0.050 31.807 31.700 0.095 0.000 0.876 502 Q N -0.534 119.353 119.800 0.144 0.000 2.451 502 Q HA 0.112 4.451 4.340 -0.002 0.000 0.206 502 Q C 0.288 176.374 176.000 0.144 0.000 0.947 502 Q CA 0.357 56.288 55.803 0.215 0.000 0.937 502 Q CB 0.371 29.301 28.738 0.320 0.000 1.025 502 Q HN 0.136 nan 8.270 nan 0.000 0.511 503 V N 3.111 122.949 119.914 -0.127 0.000 2.417 503 V HA 0.211 4.330 4.120 -0.002 0.000 0.291 503 V C -2.160 173.488 176.094 -0.744 0.000 1.024 503 V CA -1.804 60.130 62.300 -0.610 0.000 0.861 503 V CB 1.704 32.796 31.823 -1.219 0.000 0.985 503 V HN 0.025 nan 8.190 nan 0.000 0.436 504 P HA 0.059 nan 4.420 nan 0.000 0.226 504 P C -0.268 176.876 177.300 -0.259 0.000 1.783 504 P CA -0.481 62.434 63.100 -0.308 0.000 0.980 504 P CB -0.318 31.242 31.700 -0.233 0.000 1.967 505 W N 1.032 122.318 121.300 -0.024 0.000 2.560 505 W HA -0.075 4.584 4.660 -0.002 0.000 0.335 505 W C 1.120 177.624 176.519 -0.024 0.000 1.147 505 W CA 0.109 57.450 57.345 -0.007 0.000 1.277 505 W CB -0.465 29.039 29.460 0.074 0.000 1.152 505 W HN 0.108 nan 8.180 nan 0.000 0.561 506 T N 0.000 114.683 114.554 0.215 0.000 3.816 506 T HA 0.000 4.349 4.350 -0.002 0.000 0.228 506 T CA 0.000 62.158 62.100 0.096 0.000 1.349 506 T CB 0.000 68.885 68.868 0.029 0.000 0.612 506 T HN 0.000 nan 8.240 nan 0.000 0.658