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 1m7x_1_D DATA FIRST_RESID 117 DATA SEQUENCE THLRPYETLG AHADTMDGVT GTRFSVWAPN ARRVSVVGQF NYWDGRRHPM DATA SEQUENCE RLRKESGIWE LFIPGAHNGQ LYKYEMIDAN GNLRLKSDPY AFEAQMXXXT DATA SEQUENCE ASLICGLPEK VVQTEERKKA NQFDAPISIY EVHLGSWRRH TDNNFWLSYR DATA SEQUENCE ELADQLVPYA KWMGFTHLEL LPINEHPFDG SWGYQPTGLY APTRRFGTRD DATA SEQUENCE DFRYFIDAAH AAGLNVILDW VPGHFPTDDF ALAEFDGTNL YEHSXXXXXX DATA SEQUENCE XXXXNTLIYN YGRREVSNFL VGNALYWIER FGIDALRVDA VASMIYRDXX DATA SEQUENCE XXXXXXXXXX XXGRENLEAI EFLRNTNRIL GEQVSGAVTM AEESTDFPGV DATA SEQUENCE SRPQDMGGLG FWYKWNLGWM HDTLDYMKLD PVYRQYHHDK LTFGILYNYT DATA SEQUENCE ENFVLPLSHD EVVHGKKSIL DRMPGDAWQK FANLRAYYGW MWAFPGKKLL DATA SEQUENCE FMGNEFAQGR EWNHDASLDW HLLEGGDNWH HGVQRLVRDL NLTYRHHKAM DATA SEQUENCE HELDFDPYGF EWLVVDDKER SVLIFVRRDK EGNEIIVASN FTPVPRHDYR DATA SEQUENCE FGINQPGKWR EILNTDSMHY HGSNAGNGGT VHSDEIASHG RQHSLSLTLP DATA SEQUENCE PLATIWLVRE AE 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 117 T HA 0.000 nan 4.350 nan 0.000 0.228 117 T C 0.000 174.626 174.700 -0.123 0.000 1.109 117 T CA 0.000 62.015 62.100 -0.142 0.000 1.349 117 T CB 0.000 68.810 68.868 -0.096 0.000 0.612 118 H N 1.788 120.838 119.070 -0.034 0.000 2.541 118 H HA 0.010 4.567 4.556 0.001 0.000 0.289 118 H C 1.392 176.737 175.328 0.028 0.000 1.054 118 H CA 1.134 57.178 56.048 -0.007 0.000 1.250 118 H CB 0.273 30.034 29.762 -0.002 0.000 1.369 118 H HN 0.351 nan 8.280 nan 0.000 0.578 119 L N -0.416 120.873 121.223 0.110 0.000 2.221 119 L HA 0.064 4.404 4.340 0.001 0.000 0.202 119 L C 1.135 178.059 176.870 0.089 0.000 1.074 119 L CA 1.258 56.157 54.840 0.099 0.000 0.795 119 L CB 0.261 42.355 42.059 0.059 0.000 0.960 119 L HN -0.115 nan 8.230 nan 0.000 0.458 120 R N -0.246 120.221 120.500 -0.054 0.000 2.983 120 R HA 0.201 4.541 4.340 0.001 0.000 0.300 120 R C -1.702 174.327 176.300 -0.451 0.000 1.367 120 R CA -1.049 54.856 56.100 -0.325 0.000 1.564 120 R CB 0.526 30.563 30.300 -0.437 0.000 1.314 120 R HN 0.072 nan 8.270 nan 0.000 0.622 121 P HA -0.201 nan 4.420 nan 0.000 0.226 121 P C 0.413 177.617 177.300 -0.161 0.000 1.146 121 P CA 1.112 64.159 63.100 -0.088 0.000 0.773 121 P CB 0.085 31.863 31.700 0.130 0.000 0.772 122 Y N -0.925 119.452 120.300 0.129 0.000 2.529 122 Y HA 0.288 4.838 4.550 0.001 0.000 0.290 122 Y C 1.651 177.661 175.900 0.183 0.000 1.177 122 Y CA -0.230 57.970 58.100 0.167 0.000 1.305 122 Y CB -1.275 37.333 38.460 0.246 0.000 1.047 122 Y HN -0.073 nan 8.280 nan 0.000 0.522 123 E N 0.402 120.386 120.200 -0.360 0.000 2.474 123 E HA 0.001 4.351 4.350 0.001 0.000 0.194 123 E C 1.140 177.405 176.600 -0.557 0.000 1.041 123 E CA 1.071 57.219 56.400 -0.419 0.000 0.874 123 E CB 0.284 29.723 29.700 -0.435 0.000 0.914 123 E HN 0.683 nan 8.360 nan 0.000 0.498 124 T N -2.937 111.432 114.554 -0.309 0.000 2.993 124 T HA 0.259 4.609 4.350 0.001 0.000 0.260 124 T C 0.515 175.223 174.700 0.012 0.000 0.939 124 T CA -0.375 61.603 62.100 -0.204 0.000 0.886 124 T CB 0.250 69.011 68.868 -0.178 0.000 1.209 124 T HN -0.125 nan 8.240 nan 0.000 0.518 125 L N 1.818 123.008 121.223 -0.054 0.000 2.343 125 L HA 0.658 4.998 4.340 0.001 0.000 0.275 125 L C 1.248 178.094 176.870 -0.040 0.000 1.056 125 L CA 0.400 55.114 54.840 -0.210 0.000 0.804 125 L CB 1.058 42.611 42.059 -0.843 0.000 1.203 125 L HN 0.665 nan 8.230 nan 0.000 0.440 126 G N 1.956 110.749 108.800 -0.013 0.000 2.466 126 G HA2 -0.021 3.940 3.960 0.001 0.000 0.218 126 G HA3 -0.021 3.940 3.960 0.001 0.000 0.218 126 G C -0.862 173.970 174.900 -0.112 0.000 1.237 126 G CA -0.214 44.876 45.100 -0.017 0.000 0.954 126 G HN 0.994 nan 8.290 nan 0.000 0.580 127 A N 0.429 123.031 122.820 -0.364 0.000 2.291 127 A HA 0.800 5.121 4.320 0.001 0.000 0.311 127 A C -0.380 176.859 177.584 -0.575 0.000 1.224 127 A CA -0.288 51.372 52.037 -0.628 0.000 0.821 127 A CB 0.677 19.165 19.000 -0.854 0.000 1.172 127 A HN 0.967 nan 8.150 nan 0.000 0.494 128 H N 1.110 120.091 119.070 -0.148 0.000 2.768 128 H HA 0.615 5.171 4.556 0.001 0.000 0.371 128 H C 0.373 175.667 175.328 -0.057 0.000 1.151 128 H CA -0.084 55.943 56.048 -0.036 0.000 1.165 128 H CB 2.131 31.897 29.762 0.007 0.000 1.722 128 H HN 0.862 nan 8.280 nan 0.000 0.543 129 A N 1.461 124.345 122.820 0.107 0.000 2.429 129 A HA 0.303 4.623 4.320 0.001 0.000 0.242 129 A C 0.071 177.729 177.584 0.123 0.000 1.088 129 A CA 0.656 52.747 52.037 0.089 0.000 0.784 129 A CB 0.185 19.227 19.000 0.070 0.000 1.038 129 A HN 0.777 nan 8.150 nan 0.000 0.501 130 D N -2.363 118.144 120.400 0.179 0.000 2.804 130 D HA 0.568 5.208 4.640 0.001 0.000 0.309 130 D C -1.222 175.179 176.300 0.169 0.000 1.311 130 D CA 0.114 54.178 54.000 0.107 0.000 0.765 130 D CB 1.123 41.929 40.800 0.009 0.000 1.293 130 D HN 0.545 nan 8.370 nan 0.000 0.434 131 T N 0.503 115.025 114.554 -0.053 0.000 2.853 131 T HA 0.701 5.052 4.350 0.001 0.000 0.311 131 T C -0.867 173.701 174.700 -0.220 0.000 1.307 131 T CA -0.550 61.556 62.100 0.009 0.000 1.019 131 T CB 1.415 70.302 68.868 0.032 0.000 1.264 131 T HN 0.340 nan 8.240 nan 0.000 0.497 132 M N 1.682 121.220 119.600 -0.103 0.000 2.284 132 M HA 0.296 4.776 4.480 0.001 0.000 0.281 132 M C -1.005 175.290 176.300 -0.008 0.000 1.083 132 M CA -0.563 54.659 55.300 -0.129 0.000 0.965 132 M CB 2.184 34.650 32.600 -0.224 0.000 1.717 132 M HN 0.640 nan 8.290 nan 0.000 0.479 133 D N 2.351 122.739 120.400 -0.020 0.000 2.782 133 D HA -0.196 4.444 4.640 0.001 0.000 0.231 133 D C 1.023 177.335 176.300 0.021 0.000 1.163 133 D CA 2.321 56.323 54.000 0.003 0.000 0.680 133 D CB -0.900 39.908 40.800 0.014 0.000 1.062 133 D HN 1.206 nan 8.370 nan 0.000 0.425 134 G N -2.491 106.322 108.800 0.021 0.000 2.175 134 G HA2 -0.298 3.662 3.960 0.001 0.000 0.244 134 G HA3 -0.298 3.662 3.960 0.001 0.000 0.244 134 G C 0.319 175.255 174.900 0.059 0.000 0.982 134 G CA 0.119 45.238 45.100 0.032 0.000 0.641 134 G HN 0.607 nan 8.290 nan 0.000 0.527 135 V N 2.373 122.346 119.914 0.099 0.000 2.385 135 V HA 0.515 4.635 4.120 0.001 0.000 0.269 135 V C 0.956 177.195 176.094 0.242 0.000 1.043 135 V CA 0.065 62.455 62.300 0.150 0.000 0.906 135 V CB 1.128 33.065 31.823 0.189 0.000 0.995 135 V HN 0.288 nan 8.190 nan 0.000 0.467 136 T N 4.161 118.805 114.554 0.151 0.000 2.899 136 T HA 0.675 5.025 4.350 0.001 0.000 0.295 136 T C 0.614 175.357 174.700 0.072 0.000 1.033 136 T CA 0.620 62.819 62.100 0.164 0.000 1.084 136 T CB 1.430 70.340 68.868 0.070 0.000 0.979 136 T HN 1.134 nan 8.240 nan 0.000 0.532 137 G N 0.688 109.530 108.800 0.069 0.000 2.356 137 G HA2 0.531 4.492 3.960 0.001 0.000 0.281 137 G HA3 0.531 4.492 3.960 0.001 0.000 0.281 137 G C -0.983 173.850 174.900 -0.112 0.000 1.246 137 G CA -0.156 44.757 45.100 -0.313 0.000 0.889 137 G HN 0.948 nan 8.290 nan 0.000 0.486 138 T N -2.082 112.300 114.554 -0.286 0.000 2.952 138 T HA 0.714 5.065 4.350 0.001 0.000 0.305 138 T C -0.643 173.996 174.700 -0.102 0.000 1.064 138 T CA -0.571 61.441 62.100 -0.147 0.000 1.008 138 T CB 2.402 71.038 68.868 -0.387 0.000 1.078 138 T HN 0.757 nan 8.240 nan 0.000 0.459 139 R N 2.241 122.773 120.500 0.054 0.000 2.312 139 R HA 0.629 4.969 4.340 0.001 0.000 0.311 139 R C -1.416 174.788 176.300 -0.160 0.000 1.004 139 R CA -0.730 55.475 56.100 0.176 0.000 0.902 139 R CB 0.538 30.972 30.300 0.223 0.000 1.073 139 R HN 0.603 nan 8.270 nan 0.000 0.457 140 F N 1.773 121.793 119.950 0.116 0.000 2.469 140 F HA 0.439 4.966 4.527 0.001 0.000 0.332 140 F C -0.203 175.729 175.800 0.219 0.000 1.103 140 F CA -0.375 57.709 58.000 0.141 0.000 0.979 140 F CB 2.347 41.423 39.000 0.127 0.000 1.137 140 F HN 0.457 nan 8.300 nan 0.000 0.463 141 S N 1.884 117.804 115.700 0.365 0.000 2.536 141 S HA 0.775 5.245 4.470 0.001 0.000 0.271 141 S C -1.367 173.327 174.600 0.157 0.000 1.134 141 S CA -0.917 57.431 58.200 0.247 0.000 0.897 141 S CB 1.906 65.202 63.200 0.160 0.000 1.094 141 S HN 0.643 nan 8.310 nan 0.000 0.473 142 V N 2.303 122.292 119.914 0.124 0.000 2.852 142 V HA 0.612 4.733 4.120 0.001 0.000 0.300 142 V C -2.101 174.178 176.094 0.309 0.000 1.205 142 V CA -0.592 61.759 62.300 0.085 0.000 0.940 142 V CB 1.701 33.297 31.823 -0.378 0.000 1.047 142 V HN 1.041 nan 8.190 nan 0.000 0.429 143 W N 7.359 128.761 121.300 0.170 0.000 2.485 143 W HA 0.672 5.332 4.660 0.001 0.000 0.315 143 W C 0.144 176.856 176.519 0.323 0.000 1.304 143 W CA 0.031 57.495 57.345 0.200 0.000 1.345 143 W CB 0.904 30.436 29.460 0.120 0.000 1.368 143 W HN 0.956 nan 8.180 nan 0.000 0.497 144 A N 9.530 132.366 122.820 0.027 0.000 3.399 144 A HA 0.246 4.566 4.320 0.001 0.000 0.262 144 A C -1.557 176.075 177.584 0.080 0.000 1.145 144 A CA -0.704 51.341 52.037 0.012 0.000 0.916 144 A CB 0.341 19.448 19.000 0.178 0.000 1.360 144 A HN 0.464 nan 8.150 nan 0.000 0.628 145 P HA -0.182 nan 4.420 nan 0.000 0.217 145 P C 0.497 177.802 177.300 0.009 0.000 1.148 145 P CA 1.301 64.351 63.100 -0.084 0.000 0.828 145 P CB 0.203 31.841 31.700 -0.102 0.000 0.783 146 N N -0.527 118.165 118.700 -0.014 0.000 2.280 146 N HA 0.137 4.877 4.740 0.001 0.000 0.192 146 N C 0.749 176.304 175.510 0.074 0.000 1.109 146 N CA 0.035 53.099 53.050 0.024 0.000 0.855 146 N CB 0.249 38.724 38.487 -0.020 0.000 0.974 146 N HN 0.133 nan 8.380 nan 0.000 0.482 147 A N 1.938 124.847 122.820 0.148 0.000 2.371 147 A HA 0.354 4.674 4.320 0.001 0.000 0.257 147 A C 0.532 178.289 177.584 0.288 0.000 1.089 147 A CA -0.462 51.639 52.037 0.106 0.000 0.794 147 A CB 0.444 19.409 19.000 -0.058 0.000 1.029 147 A HN 0.217 nan 8.150 nan 0.000 0.488 148 R N 2.779 123.356 120.500 0.128 0.000 2.445 148 R HA 0.673 5.014 4.340 0.001 0.000 0.308 148 R C -0.281 176.032 176.300 0.023 0.000 0.961 148 R CA -0.728 55.491 56.100 0.198 0.000 0.862 148 R CB 1.082 31.443 30.300 0.102 0.000 1.144 148 R HN 0.901 nan 8.270 nan 0.000 0.447 149 R N 1.268 121.807 120.500 0.066 0.000 1.168 149 R HA -0.165 4.176 4.340 0.001 0.000 0.418 149 R C -1.829 174.043 176.300 -0.714 0.000 1.353 149 R CA 0.583 56.542 56.100 -0.235 0.000 1.272 149 R CB -0.212 30.035 30.300 -0.087 0.000 3.598 149 R HN 0.585 nan 8.270 nan 0.000 0.493 150 V N 3.495 122.900 119.914 -0.847 0.000 2.924 150 V HA 0.523 4.643 4.120 0.001 0.000 0.300 150 V C -0.621 175.309 176.094 -0.274 0.000 1.227 150 V CA -0.674 61.185 62.300 -0.735 0.000 0.954 150 V CB 2.680 33.672 31.823 -1.385 0.000 1.055 150 V HN 0.834 nan 8.190 nan 0.000 0.429 151 S N 1.748 117.387 115.700 -0.101 0.000 2.627 151 S HA 0.768 5.239 4.470 0.001 0.000 0.283 151 S C -0.869 173.761 174.600 0.051 0.000 1.127 151 S CA -0.696 57.509 58.200 0.008 0.000 0.863 151 S CB 2.317 65.511 63.200 -0.010 0.000 1.121 151 S HN 0.512 nan 8.310 nan 0.000 0.479 152 V N 2.702 122.607 119.914 -0.015 0.000 2.350 152 V HA 0.557 4.677 4.120 0.001 0.000 0.276 152 V C -0.109 175.856 176.094 -0.215 0.000 1.028 152 V CA -0.563 61.615 62.300 -0.203 0.000 0.860 152 V CB 0.784 32.284 31.823 -0.539 0.000 0.990 152 V HN 0.708 nan 8.190 nan 0.000 0.453 153 V N 2.324 122.079 119.914 -0.264 0.000 2.815 153 V HA 1.147 5.268 4.120 0.001 0.000 0.314 153 V C 0.241 175.752 176.094 -0.973 0.000 1.064 153 V CA -0.026 61.995 62.300 -0.465 0.000 0.952 153 V CB 1.463 33.206 31.823 -0.133 0.000 1.020 153 V HN 1.051 nan 8.190 nan 0.000 0.439 154 G N 1.452 109.172 108.800 -1.801 0.000 2.490 154 G HA2 0.340 4.300 3.960 0.001 0.000 0.308 154 G HA3 0.340 4.300 3.960 0.001 0.000 0.308 154 G C -0.414 173.164 174.900 -2.204 0.000 1.286 154 G CA 0.019 43.773 45.100 -2.243 0.000 0.825 154 G HN 0.607 nan 8.290 nan 0.000 0.479 155 Q N -0.736 118.360 119.800 -1.174 0.000 2.016 155 Q HA -0.046 4.294 4.340 0.001 0.000 0.200 155 Q C 2.316 177.859 176.000 -0.761 0.000 0.978 155 Q CA 2.172 57.635 55.803 -0.566 0.000 0.833 155 Q CB -0.330 28.366 28.738 -0.070 0.000 0.895 155 Q HN 0.637 nan 8.270 nan 0.000 0.427 156 F N 0.355 120.005 119.950 -0.500 0.000 2.346 156 F HA -0.158 4.369 4.527 0.001 0.000 0.301 156 F C 1.427 176.777 175.800 -0.749 0.000 1.070 156 F CA 1.337 59.027 58.000 -0.516 0.000 1.407 156 F CB -0.428 38.394 39.000 -0.296 0.000 1.072 156 F HN 0.024 nan 8.300 nan 0.000 0.543 157 N N -1.643 116.219 118.700 -1.397 0.000 2.197 157 N HA -0.036 4.705 4.740 0.001 0.000 0.201 157 N C -0.412 174.667 175.510 -0.718 0.000 1.148 157 N CA -0.024 52.456 53.050 -0.949 0.000 0.883 157 N CB 0.158 38.035 38.487 -1.017 0.000 1.012 157 N HN 0.174 nan 8.380 nan 0.000 0.507 158 Y N -1.085 118.931 120.300 -0.474 0.000 3.589 158 Y HA -0.251 4.300 4.550 0.001 0.000 0.218 158 Y C -0.677 175.172 175.900 -0.086 0.000 1.234 158 Y CA 0.621 58.605 58.100 -0.194 0.000 1.576 158 Y CB -3.092 35.332 38.460 -0.060 0.000 1.487 158 Y HN 0.257 nan 8.280 nan 0.000 0.616 159 W N -1.199 120.007 121.300 -0.158 0.000 6.170 159 W HA -0.240 4.421 4.660 0.001 0.000 0.394 159 W C 0.325 176.790 176.519 -0.089 0.000 1.480 159 W CA 0.874 58.135 57.345 -0.141 0.000 1.027 159 W CB -0.972 28.430 29.460 -0.096 0.000 2.638 159 W HN 0.403 nan 8.180 nan 0.000 1.547 160 D N 0.144 120.529 120.400 -0.025 0.000 2.373 160 D HA 0.369 5.010 4.640 0.001 0.000 0.227 160 D C 1.456 177.734 176.300 -0.037 0.000 1.091 160 D CA 0.536 54.537 54.000 0.002 0.000 0.840 160 D CB 1.068 41.872 40.800 0.007 0.000 1.060 160 D HN 0.095 nan 8.370 nan 0.000 0.502 161 G N 3.368 112.160 108.800 -0.012 0.000 2.535 161 G HA2 -0.212 3.748 3.960 0.001 0.000 0.218 161 G HA3 -0.212 3.748 3.960 0.001 0.000 0.218 161 G C 1.411 176.296 174.900 -0.024 0.000 1.122 161 G CA 0.241 45.328 45.100 -0.021 0.000 0.769 161 G HN 0.461 nan 8.290 nan 0.000 0.549 162 R N -0.605 119.878 120.500 -0.029 0.000 2.193 162 R HA 0.147 4.488 4.340 0.001 0.000 0.213 162 R C 2.457 178.721 176.300 -0.060 0.000 1.055 162 R CA 0.445 56.527 56.100 -0.030 0.000 0.995 162 R CB -0.086 30.200 30.300 -0.023 0.000 0.893 162 R HN 0.217 nan 8.270 nan 0.000 0.459 163 R N -0.092 120.342 120.500 -0.110 0.000 2.127 163 R HA -0.002 4.338 4.340 0.001 0.000 0.217 163 R C 0.223 176.305 176.300 -0.363 0.000 1.074 163 R CA 0.859 56.811 56.100 -0.245 0.000 0.991 163 R CB 0.442 30.545 30.300 -0.327 0.000 0.895 163 R HN 0.234 nan 8.270 nan 0.000 0.450 164 H N -0.035 119.023 119.070 -0.021 0.000 2.386 164 H HA 0.322 4.878 4.556 0.001 0.000 0.232 164 H C -2.474 172.859 175.328 0.008 0.000 1.416 164 H CA -2.390 53.654 56.048 -0.007 0.000 1.285 164 H CB 1.090 30.836 29.762 -0.027 0.000 1.625 164 H HN 0.122 nan 8.280 nan 0.000 0.521 165 P HA 0.062 nan 4.420 nan 0.000 0.271 165 P C 0.382 177.793 177.300 0.185 0.000 1.216 165 P CA 0.158 63.327 63.100 0.116 0.000 0.776 165 P CB 0.974 32.735 31.700 0.100 0.000 0.881 166 M N 1.933 121.673 119.600 0.234 0.000 2.444 166 M HA 0.395 4.876 4.480 0.001 0.000 0.319 166 M C 0.665 177.254 176.300 0.481 0.000 1.183 166 M CA -0.461 55.049 55.300 0.350 0.000 1.032 166 M CB 1.327 34.174 32.600 0.412 0.000 1.569 166 M HN 0.179 nan 8.290 nan 0.000 0.468 167 R N 1.545 122.252 120.500 0.345 0.000 2.346 167 R HA 0.482 4.823 4.340 0.001 0.000 0.311 167 R C -1.461 174.836 176.300 -0.006 0.000 0.983 167 R CA -0.843 55.374 56.100 0.194 0.000 0.880 167 R CB 1.123 31.484 30.300 0.101 0.000 1.100 167 R HN 0.559 nan 8.270 nan 0.000 0.453 168 L N 4.220 125.178 121.223 -0.442 0.000 2.319 168 L HA 0.329 4.669 4.340 0.001 0.000 0.280 168 L C -0.541 176.070 176.870 -0.433 0.000 1.099 168 L CA -0.044 54.252 54.840 -0.906 0.000 0.828 168 L CB 0.780 41.861 42.059 -1.630 0.000 1.150 168 L HN 0.448 nan 8.230 nan 0.000 0.442 169 R N 4.019 124.333 120.500 -0.311 0.000 2.308 169 R HA 0.155 4.495 4.340 0.001 0.000 0.325 169 R C 1.123 177.329 176.300 -0.157 0.000 1.161 169 R CA -0.002 56.001 56.100 -0.161 0.000 1.022 169 R CB 0.114 30.366 30.300 -0.080 0.000 1.091 169 R HN 0.699 nan 8.270 nan 0.000 0.497 170 K N 1.302 121.612 120.400 -0.149 0.000 2.218 170 K HA -0.238 4.082 4.320 0.001 0.000 0.205 170 K C 0.344 176.916 176.600 -0.048 0.000 1.046 170 K CA 1.802 58.024 56.287 -0.108 0.000 0.933 170 K CB 0.135 32.582 32.500 -0.088 0.000 0.728 170 K HN 0.368 nan 8.250 nan 0.000 0.454 171 E N 1.309 121.488 120.200 -0.035 0.000 2.358 171 E HA -0.083 4.267 4.350 0.001 0.000 0.195 171 E C 1.484 178.094 176.600 0.017 0.000 1.010 171 E CA 1.174 57.569 56.400 -0.007 0.000 0.856 171 E CB 0.148 29.841 29.700 -0.011 0.000 0.795 171 E HN 0.515 nan 8.360 nan 0.000 0.504 172 S N -1.551 114.162 115.700 0.021 0.000 2.589 172 S HA 0.414 4.885 4.470 0.001 0.000 0.235 172 S C 1.696 176.404 174.600 0.179 0.000 1.051 172 S CA -0.113 58.127 58.200 0.068 0.000 0.978 172 S CB 0.509 63.726 63.200 0.030 0.000 0.929 172 S HN 0.448 nan 8.310 nan 0.000 0.523 173 G N 1.697 110.560 108.800 0.106 0.000 2.143 173 G HA2 -0.210 3.750 3.960 0.001 0.000 0.249 173 G HA3 -0.210 3.750 3.960 0.001 0.000 0.249 173 G C -0.072 174.910 174.900 0.137 0.000 0.981 173 G CA 0.313 45.483 45.100 0.117 0.000 0.665 173 G HN 0.600 nan 8.290 nan 0.000 0.528 174 I N -0.464 120.169 120.570 0.105 0.000 2.392 174 I HA 0.531 4.702 4.170 0.001 0.000 0.295 174 I C 0.047 176.156 176.117 -0.014 0.000 0.985 174 I CA -1.031 60.360 61.300 0.152 0.000 1.221 174 I CB 0.943 39.043 38.000 0.167 0.000 1.366 174 I HN 0.043 nan 8.210 nan 0.000 0.467 175 W N 4.873 126.223 121.300 0.083 0.000 2.433 175 W HA 0.481 5.141 4.660 0.001 0.000 0.315 175 W C 0.049 176.630 176.519 0.104 0.000 1.087 175 W CA -0.330 57.060 57.345 0.076 0.000 1.205 175 W CB 0.993 30.487 29.460 0.056 0.000 1.288 175 W HN 0.442 nan 8.180 nan 0.000 0.504 176 E N 1.714 122.104 120.200 0.315 0.000 2.416 176 E HA 0.836 5.187 4.350 0.001 0.000 0.273 176 E C -2.115 174.659 176.600 0.289 0.000 0.935 176 E CA -1.274 55.300 56.400 0.289 0.000 0.784 176 E CB 2.413 32.233 29.700 0.200 0.000 1.301 176 E HN 0.302 nan 8.360 nan 0.000 0.454 177 L N 1.601 123.018 121.223 0.325 0.000 2.611 177 L HA 0.504 4.845 4.340 0.001 0.000 0.260 177 L C -2.129 174.977 176.870 0.392 0.000 0.924 177 L CA -0.463 54.562 54.840 0.307 0.000 0.901 177 L CB 1.935 44.143 42.059 0.248 0.000 1.369 177 L HN 0.797 nan 8.230 nan 0.000 0.415 178 F N 5.523 125.560 119.950 0.144 0.000 2.404 178 F HA 0.728 5.256 4.527 0.001 0.000 0.339 178 F C -0.311 175.537 175.800 0.079 0.000 1.105 178 F CA -0.560 57.507 58.000 0.111 0.000 1.087 178 F CB 1.016 40.053 39.000 0.062 0.000 1.143 178 F HN 0.382 nan 8.300 nan 0.000 0.491 179 I N 7.911 128.217 120.570 -0.441 0.000 2.563 179 I HA 0.231 4.401 4.170 0.001 0.000 0.276 179 I C -2.284 173.418 176.117 -0.691 0.000 1.074 179 I CA -2.116 58.906 61.300 -0.463 0.000 1.124 179 I CB 1.310 39.022 38.000 -0.480 0.000 1.225 179 I HN 0.354 nan 8.210 nan 0.000 0.482 180 P HA 0.023 nan 4.420 nan 0.000 0.266 180 P C 0.952 178.070 177.300 -0.304 0.000 1.193 180 P CA 0.977 63.784 63.100 -0.488 0.000 0.770 180 P CB 0.952 32.530 31.700 -0.205 0.000 0.836 181 G N 1.271 109.941 108.800 -0.218 0.000 2.268 181 G HA2 -0.231 3.729 3.960 0.001 0.000 0.240 181 G HA3 -0.231 3.729 3.960 0.001 0.000 0.240 181 G C 0.427 175.282 174.900 -0.075 0.000 1.010 181 G CA 0.154 45.178 45.100 -0.127 0.000 0.618 181 G HN 0.889 nan 8.290 nan 0.000 0.516 182 A N 2.127 124.803 122.820 -0.240 0.000 2.520 182 A HA 0.592 4.912 4.320 0.001 0.000 0.245 182 A C 0.629 178.166 177.584 -0.078 0.000 1.072 182 A CA 1.028 52.901 52.037 -0.273 0.000 0.761 182 A CB -0.115 18.693 19.000 -0.321 0.000 1.004 182 A HN 1.526 nan 8.150 nan 0.000 0.499 183 H N 0.930 119.912 119.070 -0.147 0.000 2.943 183 H HA 0.414 4.971 4.556 0.001 0.000 0.323 183 H C -0.973 174.342 175.328 -0.021 0.000 1.296 183 H CA -1.305 54.698 56.048 -0.075 0.000 1.155 183 H CB 0.184 29.915 29.762 -0.052 0.000 1.882 183 H HN 0.559 nan 8.280 nan 0.000 0.553 184 N N -0.408 118.347 118.700 0.091 0.000 2.454 184 N HA 0.199 4.939 4.740 0.001 0.000 0.254 184 N C 1.369 176.908 175.510 0.050 0.000 1.228 184 N CA 1.809 54.900 53.050 0.068 0.000 0.900 184 N CB 0.797 39.351 38.487 0.112 0.000 1.089 184 N HN 0.960 nan 8.380 nan 0.000 0.449 185 G N 1.025 109.856 108.800 0.051 0.000 2.399 185 G HA2 -0.256 3.704 3.960 0.001 0.000 0.216 185 G HA3 -0.256 3.704 3.960 0.001 0.000 0.216 185 G C -0.043 174.874 174.900 0.028 0.000 1.096 185 G CA -0.354 44.783 45.100 0.061 0.000 0.650 185 G HN 0.587 nan 8.290 nan 0.000 0.512 186 Q N 0.830 120.570 119.800 -0.100 0.000 2.386 186 Q HA 0.510 4.850 4.340 0.001 0.000 0.282 186 Q C 0.338 176.429 176.000 0.152 0.000 1.050 186 Q CA 0.308 56.095 55.803 -0.026 0.000 0.918 186 Q CB 0.820 29.457 28.738 -0.168 0.000 1.266 186 Q HN 0.550 nan 8.270 nan 0.000 0.423 187 L N 2.613 123.949 121.223 0.189 0.000 2.375 187 L HA 0.599 4.939 4.340 0.001 0.000 0.268 187 L C -0.520 176.507 176.870 0.261 0.000 1.058 187 L CA -0.864 54.116 54.840 0.232 0.000 0.803 187 L CB 0.524 42.722 42.059 0.230 0.000 1.212 187 L HN 0.668 nan 8.230 nan 0.000 0.451 188 Y N -0.610 119.729 120.300 0.067 0.000 2.741 188 Y HA 0.720 5.270 4.550 0.001 0.000 0.339 188 Y C -1.650 174.246 175.900 -0.007 0.000 1.226 188 Y CA -1.552 56.494 58.100 -0.090 0.000 1.072 188 Y CB 1.419 39.819 38.460 -0.099 0.000 1.331 188 Y HN 0.436 nan 8.280 nan 0.000 0.453 189 K N 0.420 120.749 120.400 -0.117 0.000 2.578 189 K HA 0.434 4.754 4.320 0.001 0.000 0.287 189 K C -2.292 174.195 176.600 -0.189 0.000 1.010 189 K CA -1.030 55.158 56.287 -0.166 0.000 0.889 189 K CB 2.632 35.199 32.500 0.112 0.000 1.514 189 K HN 0.681 nan 8.250 nan 0.000 0.424 190 Y N 0.975 121.338 120.300 0.105 0.000 2.331 190 Y HA 0.249 4.799 4.550 0.001 0.000 0.338 190 Y C 0.039 175.913 175.900 -0.043 0.000 0.976 190 Y CA -0.540 57.587 58.100 0.045 0.000 1.137 190 Y CB 1.692 40.193 38.460 0.068 0.000 1.172 190 Y HN 0.451 nan 8.280 nan 0.000 0.478 191 E N 5.774 126.011 120.200 0.062 0.000 2.175 191 E HA 0.563 4.914 4.350 0.001 0.000 0.278 191 E C -0.765 175.769 176.600 -0.110 0.000 0.969 191 E CA -0.604 55.783 56.400 -0.022 0.000 0.796 191 E CB 0.930 30.625 29.700 -0.008 0.000 1.104 191 E HN 0.789 nan 8.360 nan 0.000 0.395 192 M N 2.373 121.876 119.600 -0.162 0.000 2.948 192 M HA 0.562 5.043 4.480 0.001 0.000 0.278 192 M C -1.564 174.623 176.300 -0.189 0.000 1.293 192 M CA -0.965 54.192 55.300 -0.239 0.000 0.777 192 M CB 1.635 34.034 32.600 -0.335 0.000 1.713 192 M HN 0.220 nan 8.290 nan 0.000 0.444 193 I N 2.067 122.520 120.570 -0.194 0.000 2.468 193 I HA 0.342 4.513 4.170 0.001 0.000 0.284 193 I C -0.607 175.435 176.117 -0.125 0.000 1.038 193 I CA -0.284 60.937 61.300 -0.132 0.000 1.083 193 I CB 1.177 39.121 38.000 -0.094 0.000 1.223 193 I HN 0.781 nan 8.210 nan 0.000 0.443 194 D N 3.977 124.305 120.400 -0.120 0.000 2.278 194 D HA -0.032 4.608 4.640 0.001 0.000 0.234 194 D C 1.156 177.419 176.300 -0.061 0.000 1.344 194 D CA 0.263 54.202 54.000 -0.103 0.000 0.892 194 D CB 0.961 41.706 40.800 -0.092 0.000 1.204 194 D HN 0.636 nan 8.370 nan 0.000 0.489 195 A N 0.591 123.383 122.820 -0.045 0.000 2.167 195 A HA -0.090 4.231 4.320 0.001 0.000 0.214 195 A C 0.831 178.402 177.584 -0.023 0.000 1.151 195 A CA 0.605 52.630 52.037 -0.020 0.000 0.735 195 A CB -0.118 18.872 19.000 -0.017 0.000 0.802 195 A HN 0.389 nan 8.150 nan 0.000 0.467 196 N N 0.247 118.925 118.700 -0.036 0.000 2.635 196 N HA 0.217 4.958 4.740 0.001 0.000 0.307 196 N C 0.798 176.283 175.510 -0.041 0.000 1.433 196 N CA 0.531 53.560 53.050 -0.036 0.000 0.973 196 N CB 0.393 38.855 38.487 -0.040 0.000 1.304 196 N HN 0.389 nan 8.380 nan 0.000 0.507 197 G N 1.403 110.181 108.800 -0.037 0.000 2.468 197 G HA2 -0.301 3.660 3.960 0.001 0.000 0.311 197 G HA3 -0.301 3.660 3.960 0.001 0.000 0.311 197 G C -0.024 174.844 174.900 -0.053 0.000 0.942 197 G CA 0.448 45.524 45.100 -0.040 0.000 0.893 197 G HN 0.360 nan 8.290 nan 0.000 0.513 198 N N -0.868 117.790 118.700 -0.069 0.000 2.417 198 N HA 0.511 5.251 4.740 0.001 0.000 0.300 198 N C -0.129 175.323 175.510 -0.096 0.000 1.102 198 N CA -0.806 52.196 53.050 -0.080 0.000 0.886 198 N CB 1.801 40.235 38.487 -0.089 0.000 1.203 198 N HN 0.164 nan 8.380 nan 0.000 0.496 199 L N 2.304 123.472 121.223 -0.091 0.000 2.319 199 L HA 0.345 4.685 4.340 0.001 0.000 0.280 199 L C -0.344 176.459 176.870 -0.113 0.000 1.099 199 L CA 0.275 55.058 54.840 -0.095 0.000 0.828 199 L CB 0.044 42.059 42.059 -0.074 0.000 1.150 199 L HN 0.348 nan 8.230 nan 0.000 0.442 200 R N 5.555 125.980 120.500 -0.125 0.000 2.626 200 R HA 0.475 4.816 4.340 0.001 0.000 0.274 200 R C -1.550 174.683 176.300 -0.112 0.000 1.031 200 R CA -0.725 55.294 56.100 -0.136 0.000 0.898 200 R CB 1.657 31.849 30.300 -0.181 0.000 1.222 200 R HN 0.634 nan 8.270 nan 0.000 0.455 201 L N 3.441 124.615 121.223 -0.082 0.000 2.277 201 L HA 0.370 4.710 4.340 0.001 0.000 0.284 201 L C -0.238 176.618 176.870 -0.024 0.000 1.028 201 L CA -0.669 54.148 54.840 -0.039 0.000 0.835 201 L CB 0.904 42.941 42.059 -0.036 0.000 1.215 201 L HN 0.175 nan 8.230 nan 0.000 0.425 202 K N 2.327 122.724 120.400 -0.004 0.000 2.159 202 K HA 0.433 4.754 4.320 0.001 0.000 0.266 202 K C -0.349 176.363 176.600 0.186 0.000 0.975 202 K CA -0.480 55.841 56.287 0.057 0.000 0.865 202 K CB 2.133 34.566 32.500 -0.112 0.000 1.087 202 K HN 0.338 nan 8.250 nan 0.000 0.446 203 S N 1.315 117.127 115.700 0.188 0.000 2.562 203 S HA 0.039 4.510 4.470 0.001 0.000 0.275 203 S C -0.240 174.526 174.600 0.277 0.000 1.281 203 S CA -0.576 57.701 58.200 0.127 0.000 1.045 203 S CB 0.840 64.066 63.200 0.043 0.000 0.962 203 S HN 0.414 nan 8.310 nan 0.000 0.503 204 D N 3.245 123.804 120.400 0.265 0.000 2.412 204 D HA 0.083 4.723 4.640 0.001 0.000 0.257 204 D C -1.130 175.283 176.300 0.188 0.000 1.217 204 D CA -1.691 52.575 54.000 0.443 0.000 0.897 204 D CB 0.938 42.061 40.800 0.538 0.000 1.132 204 D HN 0.162 nan 8.370 nan 0.000 0.493 205 P HA -0.159 nan 4.420 nan 0.000 0.225 205 P C 0.317 177.610 177.300 -0.012 0.000 1.148 205 P CA 0.942 63.993 63.100 -0.082 0.000 0.779 205 P CB 0.006 31.421 31.700 -0.476 0.000 0.780 206 Y N 0.038 120.315 120.300 -0.038 0.000 2.746 206 Y HA 0.437 4.987 4.550 0.001 0.000 0.312 206 Y C 1.117 176.587 175.900 -0.716 0.000 1.117 206 Y CA -0.772 57.088 58.100 -0.400 0.000 1.324 206 Y CB -0.370 37.839 38.460 -0.419 0.000 1.173 206 Y HN -0.099 nan 8.280 nan 0.000 0.529 207 A N -0.100 122.599 122.820 -0.201 0.000 2.491 207 A HA 0.153 4.474 4.320 0.001 0.000 0.261 207 A C 0.159 177.661 177.584 -0.136 0.000 1.101 207 A CA 0.078 52.017 52.037 -0.164 0.000 0.772 207 A CB -0.208 18.783 19.000 -0.015 0.000 1.043 207 A HN 0.486 nan 8.150 nan 0.000 0.501 208 F N 0.595 120.674 119.950 0.214 0.000 2.776 208 F HA 0.276 4.804 4.527 0.001 0.000 0.300 208 F C 1.007 176.974 175.800 0.278 0.000 1.116 208 F CA 0.567 58.727 58.000 0.266 0.000 1.375 208 F CB 0.073 39.233 39.000 0.266 0.000 1.109 208 F HN 0.685 nan 8.300 nan 0.000 0.585 209 E N -0.500 119.895 120.200 0.324 0.000 2.422 209 E HA 0.601 4.951 4.350 0.001 0.000 0.289 209 E C -1.405 175.288 176.600 0.155 0.000 0.985 209 E CA -0.444 56.109 56.400 0.255 0.000 0.812 209 E CB 1.502 31.363 29.700 0.269 0.000 1.226 209 E HN -0.017 nan 8.360 nan 0.000 0.419 210 A N 2.646 125.534 122.820 0.113 0.000 2.312 210 A HA 0.538 4.859 4.320 0.001 0.000 0.310 210 A C -0.518 177.090 177.584 0.039 0.000 1.139 210 A CA -0.649 51.420 52.037 0.053 0.000 0.886 210 A CB 1.312 20.327 19.000 0.026 0.000 1.350 210 A HN 0.579 nan 8.150 nan 0.000 0.479 211 Q N 1.009 120.815 119.800 0.009 0.000 2.432 211 Q HA 0.119 4.460 4.340 0.001 0.000 0.264 211 Q C -0.145 175.849 176.000 -0.010 0.000 1.035 211 Q CA 0.126 55.932 55.803 0.005 0.000 0.908 211 Q CB 0.278 29.007 28.738 -0.015 0.000 1.280 211 Q HN 0.630 nan 8.270 nan 0.000 0.455 217 A N 1.272 124.059 122.820 -0.054 0.000 2.485 217 A HA 0.973 5.293 4.320 0.001 0.000 0.292 217 A C -0.089 177.436 177.584 -0.099 0.000 1.147 217 A CA -0.962 51.037 52.037 -0.064 0.000 0.750 217 A CB 1.687 20.700 19.000 0.022 0.000 1.331 217 A HN 0.685 nan 8.150 nan 0.000 0.419 218 S N -0.102 115.436 115.700 -0.270 0.000 2.562 218 S HA 0.562 5.033 4.470 0.001 0.000 0.275 218 S C -0.457 174.048 174.600 -0.159 0.000 1.281 218 S CA -0.343 57.656 58.200 -0.334 0.000 1.045 218 S CB 0.936 63.672 63.200 -0.773 0.000 0.962 218 S HN 0.662 nan 8.310 nan 0.000 0.503 219 L N 3.389 124.669 121.223 0.095 0.000 2.329 219 L HA 0.589 4.930 4.340 0.001 0.000 0.279 219 L C -0.842 176.233 176.870 0.341 0.000 1.014 219 L CA -0.846 54.130 54.840 0.227 0.000 0.814 219 L CB 0.822 42.979 42.059 0.164 0.000 1.257 219 L HN 0.614 nan 8.230 nan 0.000 0.424 220 I N 4.502 125.266 120.570 0.323 0.000 2.648 220 I HA 0.223 4.394 4.170 0.001 0.000 0.284 220 I C -0.151 176.053 176.117 0.145 0.000 1.153 220 I CA 0.183 61.591 61.300 0.179 0.000 1.426 220 I CB 0.390 38.396 38.000 0.010 0.000 1.381 220 I HN 0.812 nan 8.210 nan 0.000 0.571 221 C N 2.904 122.295 119.300 0.152 0.000 2.969 221 C HA 0.614 5.074 4.460 0.001 0.000 0.338 221 C C 0.072 175.184 174.990 0.204 0.000 1.217 221 C CA -0.690 58.428 59.018 0.166 0.000 1.146 221 C CB 0.329 28.196 27.740 0.212 0.000 1.366 221 C HN 0.937 nan 8.230 nan 0.000 0.488 222 G N 0.299 109.181 108.800 0.136 0.000 2.849 222 G HA2 0.647 4.608 3.960 0.001 0.000 0.174 222 G HA3 0.647 4.608 3.960 0.001 0.000 0.174 222 G C -0.976 173.878 174.900 -0.075 0.000 1.370 222 G CA -0.648 44.513 45.100 0.102 0.000 1.040 222 G HN 0.798 nan 8.290 nan 0.000 0.582 223 L N 2.433 123.581 121.223 -0.126 0.000 2.292 223 L HA 0.377 4.717 4.340 0.001 0.000 0.284 223 L C -1.493 175.276 176.870 -0.169 0.000 1.065 223 L CA -2.054 52.653 54.840 -0.222 0.000 0.806 223 L CB 0.570 42.557 42.059 -0.120 0.000 1.175 223 L HN 0.321 nan 8.230 nan 0.000 0.431 224 P HA 0.054 nan 4.420 nan 0.000 0.271 224 P C -0.419 176.748 177.300 -0.222 0.000 1.244 224 P CA -0.519 62.420 63.100 -0.267 0.000 0.793 224 P CB 0.804 32.205 31.700 -0.498 0.000 0.984 225 E N 0.646 120.749 120.200 -0.161 0.000 2.344 225 E HA 0.079 4.429 4.350 0.001 0.000 0.270 225 E C -0.054 176.464 176.600 -0.137 0.000 1.021 225 E CA -0.009 56.319 56.400 -0.118 0.000 0.887 225 E CB 0.089 29.743 29.700 -0.078 0.000 0.997 225 E HN 0.125 nan 8.360 nan 0.000 0.429 226 K N 1.371 121.707 120.400 -0.107 0.000 2.586 226 K HA -0.007 4.314 4.320 0.001 0.000 0.280 226 K C -0.678 175.870 176.600 -0.087 0.000 0.972 226 K CA 0.277 56.508 56.287 -0.093 0.000 1.040 226 K CB 0.392 32.857 32.500 -0.057 0.000 0.870 226 K HN 0.247 nan 8.250 nan 0.000 0.497 227 V N 3.663 123.529 119.914 -0.081 0.000 2.459 227 V HA 0.148 4.268 4.120 0.001 0.000 0.295 227 V C -0.155 175.903 176.094 -0.060 0.000 1.029 227 V CA -0.929 61.333 62.300 -0.062 0.000 0.874 227 V CB 1.825 33.624 31.823 -0.040 0.000 0.985 227 V HN 0.424 nan 8.190 nan 0.000 0.438 228 V N 5.080 124.955 119.914 -0.066 0.000 2.408 228 V HA 0.205 4.325 4.120 0.001 0.000 0.267 228 V C 0.401 176.433 176.094 -0.104 0.000 1.047 228 V CA -0.139 62.116 62.300 -0.075 0.000 0.937 228 V CB 1.216 32.998 31.823 -0.069 0.000 0.999 228 V HN 0.977 nan 8.190 nan 0.000 0.472 229 Q N 3.898 123.631 119.800 -0.111 0.000 2.297 229 Q HA 0.243 4.583 4.340 0.001 0.000 0.267 229 Q C 0.395 176.307 176.000 -0.147 0.000 1.006 229 Q CA -0.394 55.316 55.803 -0.156 0.000 0.896 229 Q CB 0.938 29.593 28.738 -0.139 0.000 1.186 229 Q HN 0.911 nan 8.270 nan 0.000 0.392 230 T N 0.930 115.378 114.554 -0.177 0.000 2.882 230 T HA 0.163 4.514 4.350 0.001 0.000 0.287 230 T C 0.889 175.514 174.700 -0.126 0.000 1.014 230 T CA -0.872 61.144 62.100 -0.139 0.000 1.049 230 T CB 1.089 69.872 68.868 -0.143 0.000 1.001 230 T HN 0.607 nan 8.240 nan 0.000 0.525 231 E N 1.068 121.209 120.200 -0.099 0.000 2.058 231 E HA -0.155 4.196 4.350 0.001 0.000 0.194 231 E C 2.286 178.833 176.600 -0.087 0.000 0.997 231 E CA 1.477 57.826 56.400 -0.086 0.000 0.801 231 E CB -0.263 29.397 29.700 -0.067 0.000 0.746 231 E HN 0.852 nan 8.360 nan 0.000 0.450 232 E N 0.806 120.954 120.200 -0.086 0.000 2.114 232 E HA -0.220 4.130 4.350 0.001 0.000 0.199 232 E C 1.976 178.518 176.600 -0.097 0.000 1.008 232 E CA 1.068 57.419 56.400 -0.081 0.000 0.810 232 E CB -0.571 29.081 29.700 -0.080 0.000 0.739 232 E HN 0.243 nan 8.360 nan 0.000 0.456 233 R N 0.611 121.030 120.500 -0.134 0.000 2.193 233 R HA 0.081 4.421 4.340 0.001 0.000 0.213 233 R C 2.289 178.510 176.300 -0.132 0.000 1.055 233 R CA 0.578 56.582 56.100 -0.161 0.000 0.995 233 R CB 0.026 30.176 30.300 -0.250 0.000 0.893 233 R HN 0.181 nan 8.270 nan 0.000 0.459 234 K N 0.573 120.899 120.400 -0.122 0.000 2.137 234 K HA -0.080 4.240 4.320 0.001 0.000 0.202 234 K C 2.010 178.554 176.600 -0.094 0.000 1.052 234 K CA 0.771 56.984 56.287 -0.122 0.000 0.961 234 K CB 0.081 32.505 32.500 -0.126 0.000 0.741 234 K HN -0.022 nan 8.250 nan 0.000 0.452 235 K N 1.113 121.471 120.400 -0.070 0.000 2.097 235 K HA -0.079 4.241 4.320 0.001 0.000 0.205 235 K C 1.881 178.476 176.600 -0.009 0.000 1.050 235 K CA 1.197 57.459 56.287 -0.041 0.000 0.938 235 K CB -0.055 32.425 32.500 -0.035 0.000 0.718 235 K HN 0.075 nan 8.250 nan 0.000 0.442 236 A N 0.876 123.692 122.820 -0.007 0.000 2.172 236 A HA -0.103 4.217 4.320 0.001 0.000 0.216 236 A C 1.319 179.003 177.584 0.166 0.000 1.154 236 A CA 1.328 53.400 52.037 0.059 0.000 0.701 236 A CB -0.502 18.507 19.000 0.015 0.000 0.789 236 A HN 0.520 nan 8.150 nan 0.000 0.465 237 N N -0.958 117.793 118.700 0.085 0.000 2.325 237 N HA 0.024 4.764 4.740 0.001 0.000 0.182 237 N C 0.155 175.713 175.510 0.080 0.000 1.088 237 N CA -0.205 52.909 53.050 0.107 0.000 0.879 237 N CB 0.174 38.652 38.487 -0.016 0.000 0.983 237 N HN 0.594 nan 8.380 nan 0.000 0.471 238 Q N 0.046 119.864 119.800 0.030 0.000 2.421 238 Q HA 0.036 4.377 4.340 0.001 0.000 0.255 238 Q C 0.429 176.566 176.000 0.228 0.000 1.013 238 Q CA 0.045 55.849 55.803 0.000 0.000 0.895 238 Q CB 0.621 29.366 28.738 0.010 0.000 1.271 238 Q HN 0.302 nan 8.270 nan 0.000 0.460 239 F N 0.832 120.962 119.950 0.299 0.000 2.202 239 F HA -0.222 4.306 4.527 0.001 0.000 0.301 239 F C 1.766 177.811 175.800 0.408 0.000 1.082 239 F CA 0.642 58.885 58.000 0.405 0.000 1.313 239 F CB 0.035 39.192 39.000 0.262 0.000 1.024 239 F HN 0.639 nan 8.300 nan 0.000 0.495 240 D N -0.104 120.549 120.400 0.422 0.000 2.328 240 D HA 0.146 4.786 4.640 0.001 0.000 0.221 240 D C 0.453 176.909 176.300 0.259 0.000 1.072 240 D CA 0.186 54.369 54.000 0.305 0.000 0.850 240 D CB -0.413 40.518 40.800 0.218 0.000 0.922 240 D HN 0.096 nan 8.370 nan 0.000 0.516 241 A N 1.386 124.327 122.820 0.200 0.000 2.282 241 A HA 0.586 4.906 4.320 0.001 0.000 0.319 241 A C -2.522 174.990 177.584 -0.120 0.000 1.121 241 A CA -1.595 50.456 52.037 0.022 0.000 0.836 241 A CB 0.743 19.765 19.000 0.037 0.000 1.146 241 A HN 0.011 nan 8.150 nan 0.000 0.494 242 P HA 0.345 nan 4.420 nan 0.000 0.286 242 P C -1.062 176.195 177.300 -0.071 0.000 1.321 242 P CA 0.349 63.069 63.100 -0.634 0.000 0.790 242 P CB 0.425 31.343 31.700 -1.304 0.000 0.897 243 I N 2.602 123.253 120.570 0.136 0.000 2.359 243 I HA 0.181 4.352 4.170 0.001 0.000 0.284 243 I C 0.492 176.633 176.117 0.039 0.000 1.018 243 I CA -0.296 61.007 61.300 0.005 0.000 1.173 243 I CB 1.372 39.243 38.000 -0.214 0.000 1.326 243 I HN 0.254 nan 8.210 nan 0.000 0.462 244 S N 7.931 123.714 115.700 0.138 0.000 2.577 244 S HA 0.559 5.030 4.470 0.001 0.000 0.294 244 S C -0.429 174.362 174.600 0.319 0.000 1.161 244 S CA -0.510 57.773 58.200 0.138 0.000 1.143 244 S CB 0.099 63.441 63.200 0.236 0.000 0.991 244 S HN 0.413 nan 8.310 nan 0.000 0.475 245 I N 4.802 125.483 120.570 0.184 0.000 2.395 245 I HA 0.262 4.433 4.170 0.001 0.000 0.289 245 I C -0.290 175.999 176.117 0.286 0.000 1.023 245 I CA -0.603 60.838 61.300 0.234 0.000 1.350 245 I CB 0.725 38.775 38.000 0.084 0.000 1.409 245 I HN 0.622 nan 8.210 nan 0.000 0.507 246 Y N 6.369 126.630 120.300 -0.064 0.000 2.385 246 Y HA 0.282 4.833 4.550 0.001 0.000 0.341 246 Y C 0.242 176.035 175.900 -0.179 0.000 0.965 246 Y CA -0.661 57.145 58.100 -0.489 0.000 1.180 246 Y CB 0.699 38.447 38.460 -1.187 0.000 1.139 246 Y HN 0.563 nan 8.280 nan 0.000 0.502 247 E N 5.185 125.214 120.200 -0.286 0.000 2.289 247 E HA 0.432 4.783 4.350 0.001 0.000 0.278 247 E C -1.481 174.894 176.600 -0.375 0.000 1.032 247 E CA -0.342 55.977 56.400 -0.134 0.000 0.854 247 E CB 1.049 30.838 29.700 0.148 0.000 1.046 247 E HN 0.519 nan 8.360 nan 0.000 0.409 248 V N 4.150 123.941 119.914 -0.204 0.000 2.925 248 V HA 0.165 4.286 4.120 0.001 0.000 0.311 248 V C -0.599 175.498 176.094 0.005 0.000 1.104 248 V CA -0.861 61.298 62.300 -0.236 0.000 0.954 248 V CB 1.968 33.590 31.823 -0.335 0.000 1.022 248 V HN 0.706 nan 8.190 nan 0.000 0.427 249 H N 4.390 123.453 119.070 -0.012 0.000 2.725 249 H HA 0.377 4.933 4.556 0.001 0.000 0.283 249 H C 0.637 176.029 175.328 0.106 0.000 1.110 249 H CA -0.462 55.644 56.048 0.095 0.000 1.289 249 H CB 1.209 31.148 29.762 0.295 0.000 1.400 249 H HN 0.678 nan 8.280 nan 0.000 0.493 250 L N 3.092 124.097 121.223 -0.364 0.000 2.211 250 L HA -0.188 4.152 4.340 0.001 0.000 0.216 250 L C 2.266 178.773 176.870 -0.604 0.000 1.092 250 L CA 1.663 56.159 54.840 -0.573 0.000 0.767 250 L CB -0.216 41.258 42.059 -0.975 0.000 0.894 250 L HN 0.660 nan 8.230 nan 0.000 0.437 251 G N -1.686 106.838 108.800 -0.459 0.000 2.985 251 G HA2 -0.026 3.934 3.960 0.001 0.000 0.209 251 G HA3 -0.026 3.934 3.960 0.001 0.000 0.209 251 G C 1.190 176.512 174.900 0.703 0.000 1.165 251 G CA 0.717 45.933 45.100 0.192 0.000 0.776 251 G HN 0.497 nan 8.290 nan 0.000 0.541 252 S N -2.521 113.591 115.700 0.687 0.000 2.817 252 S HA 0.031 4.501 4.470 0.001 0.000 0.262 252 S C 1.217 176.179 174.600 0.603 0.000 1.051 252 S CA -0.176 58.461 58.200 0.728 0.000 1.185 252 S CB -0.420 63.334 63.200 0.924 0.000 1.152 252 S HN 0.340 nan 8.310 nan 0.000 0.653 253 W N 3.083 124.585 121.300 0.337 0.000 2.354 253 W HA 0.277 4.937 4.660 0.001 0.000 0.315 253 W C 0.794 177.579 176.519 0.442 0.000 1.206 253 W CA 1.199 58.724 57.345 0.300 0.000 1.290 253 W CB 0.050 29.613 29.460 0.171 0.000 1.152 253 W HN 0.299 nan 8.180 nan 0.000 0.489 254 R N 0.005 120.662 120.500 0.262 0.000 2.707 254 R HA 0.358 4.698 4.340 0.001 0.000 0.272 254 R C -1.160 175.214 176.300 0.124 0.000 1.011 254 R CA -0.808 55.285 56.100 -0.012 0.000 0.893 254 R CB 1.283 31.269 30.300 -0.524 0.000 1.233 254 R HN -0.268 nan 8.270 nan 0.000 0.464 255 R N 1.067 121.603 120.500 0.060 0.000 2.837 255 R HA 0.315 4.656 4.340 0.001 0.000 0.271 255 R C -0.982 175.319 176.300 0.001 0.000 0.993 255 R CA -1.110 55.058 56.100 0.113 0.000 0.931 255 R CB 1.268 31.666 30.300 0.162 0.000 1.206 255 R HN 0.682 nan 8.270 nan 0.000 0.474 256 H N 0.289 119.414 119.070 0.091 0.000 2.790 256 H HA 0.062 4.618 4.556 0.001 0.000 0.358 256 H C 1.014 176.329 175.328 -0.020 0.000 1.103 256 H CA 0.899 56.963 56.048 0.027 0.000 1.426 256 H CB 0.703 30.483 29.762 0.030 0.000 1.424 256 H HN 0.481 nan 8.280 nan 0.000 0.599 257 T N 0.794 115.396 114.554 0.079 0.000 2.261 257 T HA -0.223 4.128 4.350 0.001 0.000 0.201 257 T C 0.625 175.318 174.700 -0.011 0.000 1.646 257 T CA 1.305 63.416 62.100 0.018 0.000 1.326 257 T CB -0.176 68.695 68.868 0.006 0.000 0.876 257 T HN 0.616 nan 8.240 nan 0.000 0.378 258 D N 1.663 122.040 120.400 -0.039 0.000 2.453 258 D HA 0.286 4.927 4.640 0.001 0.000 0.223 258 D C 0.505 176.712 176.300 -0.155 0.000 1.183 258 D CA 0.047 53.999 54.000 -0.080 0.000 0.933 258 D CB -0.215 40.542 40.800 -0.072 0.000 1.038 258 D HN 0.295 nan 8.370 nan 0.000 0.513 259 N N 2.434 121.015 118.700 -0.198 0.000 2.508 259 N HA -0.138 4.602 4.740 0.001 0.000 0.304 259 N C 0.253 175.572 175.510 -0.319 0.000 0.698 259 N CA 0.343 53.121 53.050 -0.454 0.000 0.794 259 N CB -0.392 37.829 38.487 -0.444 0.000 2.379 259 N HN 0.296 nan 8.380 nan 0.000 1.282 260 N N 0.040 118.705 118.700 -0.059 0.000 2.800 260 N HA -0.167 4.574 4.740 0.001 0.000 0.250 260 N C -0.999 174.640 175.510 0.215 0.000 1.078 260 N CA 0.754 53.843 53.050 0.065 0.000 0.804 260 N CB -1.815 36.687 38.487 0.024 0.000 1.135 260 N HN 0.412 nan 8.380 nan 0.000 0.565 261 F N 0.110 120.094 119.950 0.056 0.000 2.418 261 F HA 0.180 4.707 4.527 0.001 0.000 0.341 261 F C 1.253 177.207 175.800 0.257 0.000 1.120 261 F CA -1.153 56.880 58.000 0.055 0.000 1.232 261 F CB 0.326 39.368 39.000 0.070 0.000 1.175 261 F HN -0.072 nan 8.300 nan 0.000 0.569 262 W N 3.769 125.302 121.300 0.388 0.000 2.148 262 W HA 0.101 4.762 4.660 0.001 0.000 0.347 262 W C 0.021 176.771 176.519 0.384 0.000 1.288 262 W CA -0.629 56.929 57.345 0.356 0.000 1.252 262 W CB 0.070 29.748 29.460 0.364 0.000 1.156 262 W HN 0.201 nan 8.180 nan 0.000 0.580 263 L N 2.524 124.060 121.223 0.521 0.000 2.439 263 L HA 0.171 4.512 4.340 0.001 0.000 0.261 263 L C 1.022 178.095 176.870 0.339 0.000 1.153 263 L CA -0.350 54.711 54.840 0.369 0.000 0.808 263 L CB 0.510 42.684 42.059 0.191 0.000 1.126 263 L HN 0.384 nan 8.230 nan 0.000 0.460 264 S N -0.361 115.512 115.700 0.289 0.000 2.669 264 S HA 0.210 4.680 4.470 0.001 0.000 0.270 264 S C 0.899 175.584 174.600 0.142 0.000 1.225 264 S CA -0.575 57.744 58.200 0.199 0.000 0.991 264 S CB 0.634 63.963 63.200 0.214 0.000 0.987 264 S HN 0.414 nan 8.310 nan 0.000 0.552 265 Y N 0.824 121.244 120.300 0.199 0.000 2.151 265 Y HA -0.082 4.469 4.550 0.001 0.000 0.284 265 Y C 2.781 178.836 175.900 0.259 0.000 1.166 265 Y CA 1.651 59.826 58.100 0.126 0.000 1.163 265 Y CB -0.562 38.035 38.460 0.229 0.000 0.974 265 Y HN 0.627 nan 8.280 nan 0.000 0.511 266 R N -0.329 120.427 120.500 0.427 0.000 2.148 266 R HA -0.117 4.223 4.340 0.001 0.000 0.223 266 R C 2.085 178.579 176.300 0.322 0.000 1.088 266 R CA 1.187 57.511 56.100 0.372 0.000 0.985 266 R CB -0.137 30.268 30.300 0.175 0.000 0.880 266 R HN 0.430 nan 8.270 nan 0.000 0.451 267 E N 0.282 120.646 120.200 0.274 0.000 2.076 267 E HA -0.069 4.282 4.350 0.001 0.000 0.190 267 E C 1.722 178.467 176.600 0.242 0.000 0.979 267 E CA 0.644 57.188 56.400 0.240 0.000 0.807 267 E CB 0.150 29.997 29.700 0.246 0.000 0.761 267 E HN 0.235 nan 8.360 nan 0.000 0.454 268 L N 0.276 121.643 121.223 0.240 0.000 2.201 268 L HA -0.105 4.235 4.340 0.001 0.000 0.212 268 L C 2.372 179.476 176.870 0.389 0.000 1.105 268 L CA 0.751 55.726 54.840 0.225 0.000 0.775 268 L CB -0.261 41.803 42.059 0.008 0.000 0.913 268 L HN 0.143 nan 8.230 nan 0.000 0.440 269 A N 0.247 123.366 122.820 0.498 0.000 2.066 269 A HA -0.157 4.163 4.320 0.001 0.000 0.218 269 A C 1.673 179.365 177.584 0.180 0.000 1.157 269 A CA 1.558 53.815 52.037 0.366 0.000 0.670 269 A CB -0.268 18.987 19.000 0.425 0.000 0.804 269 A HN 0.579 nan 8.150 nan 0.000 0.453 270 D N -2.023 118.501 120.400 0.206 0.000 2.433 270 D HA 0.062 4.702 4.640 0.001 0.000 0.211 270 D C 1.259 177.641 176.300 0.135 0.000 1.114 270 D CA 0.229 54.318 54.000 0.149 0.000 0.837 270 D CB -0.097 40.797 40.800 0.157 0.000 0.984 270 D HN 0.548 nan 8.370 nan 0.000 0.505 271 Q N -0.562 119.334 119.800 0.160 0.000 2.631 271 Q HA 0.172 4.513 4.340 0.001 0.000 0.220 271 Q C 1.762 177.874 176.000 0.188 0.000 0.819 271 Q CA -0.233 55.686 55.803 0.194 0.000 0.914 271 Q CB 0.356 29.245 28.738 0.250 0.000 1.248 271 Q HN 0.084 nan 8.270 nan 0.000 0.629 272 L N 1.085 122.283 121.223 -0.042 0.000 2.005 272 L HA -0.082 4.258 4.340 0.001 0.000 0.207 272 L C 2.102 178.923 176.870 -0.082 0.000 1.072 272 L CA 1.519 56.067 54.840 -0.488 0.000 0.744 272 L CB -0.607 41.056 42.059 -0.659 0.000 0.895 272 L HN -0.004 nan 8.230 nan 0.000 0.433 273 V N 0.694 120.597 119.914 -0.018 0.000 2.255 273 V HA -0.216 3.905 4.120 0.001 0.000 0.247 273 V C -0.042 176.073 176.094 0.035 0.000 1.051 273 V CA 2.523 64.792 62.300 -0.051 0.000 1.018 273 V CB -1.772 29.947 31.823 -0.172 0.000 0.641 273 V HN 0.377 nan 8.190 nan 0.000 0.445 274 P HA -0.170 nan 4.420 nan 0.000 0.218 274 P C 1.473 178.903 177.300 0.217 0.000 1.149 274 P CA 1.342 64.518 63.100 0.128 0.000 0.817 274 P CB -0.100 31.667 31.700 0.113 0.000 0.785 275 Y N 0.898 121.274 120.300 0.127 0.000 2.163 275 Y HA -0.106 4.444 4.550 0.001 0.000 0.288 275 Y C 2.381 178.410 175.900 0.215 0.000 1.136 275 Y CA 1.701 59.927 58.100 0.210 0.000 1.147 275 Y CB -1.004 37.623 38.460 0.278 0.000 0.987 275 Y HN -0.122 nan 8.280 nan 0.000 0.509 276 A N 0.545 123.412 122.820 0.079 0.000 1.933 276 A HA -0.190 4.130 4.320 0.001 0.000 0.218 276 A C 2.317 179.958 177.584 0.095 0.000 1.175 276 A CA 1.830 53.838 52.037 -0.049 0.000 0.628 276 A CB -0.753 18.236 19.000 -0.018 0.000 0.814 276 A HN 0.530 nan 8.150 nan 0.000 0.444 277 K N -1.247 119.212 120.400 0.097 0.000 2.097 277 K HA -0.166 4.154 4.320 0.001 0.000 0.205 277 K C 1.975 178.640 176.600 0.108 0.000 1.050 277 K CA 1.303 57.650 56.287 0.098 0.000 0.938 277 K CB -0.311 32.242 32.500 0.089 0.000 0.718 277 K HN 0.771 nan 8.250 nan 0.000 0.442 278 W N 0.753 122.028 121.300 -0.041 0.000 2.467 278 W HA -0.136 4.525 4.660 0.001 0.000 0.275 278 W C 1.129 177.593 176.519 -0.092 0.000 1.239 278 W CA 0.475 57.790 57.345 -0.050 0.000 1.266 278 W CB 0.115 29.558 29.460 -0.029 0.000 1.112 278 W HN 0.073 nan 8.180 nan 0.000 0.576 279 M N 0.590 120.137 119.600 -0.089 0.000 2.619 279 M HA 0.071 4.552 4.480 0.001 0.000 0.251 279 M C 1.923 178.016 176.300 -0.345 0.000 1.106 279 M CA 1.569 56.741 55.300 -0.215 0.000 1.086 279 M CB -1.397 31.144 32.600 -0.098 0.000 1.465 279 M HN 0.292 nan 8.290 nan 0.000 0.506 280 G N -0.118 108.546 108.800 -0.227 0.000 2.194 280 G HA2 -0.244 3.717 3.960 0.001 0.000 0.236 280 G HA3 -0.244 3.717 3.960 0.001 0.000 0.236 280 G C 0.135 174.970 174.900 -0.108 0.000 0.987 280 G CA -0.436 44.542 45.100 -0.202 0.000 0.635 280 G HN 0.393 nan 8.290 nan 0.000 0.520 281 F N 1.366 121.315 119.950 -0.003 0.000 2.553 281 F HA 0.379 4.907 4.527 0.001 0.000 0.356 281 F C 2.107 177.959 175.800 0.086 0.000 1.142 281 F CA 1.296 59.341 58.000 0.076 0.000 1.322 281 F CB 1.008 40.042 39.000 0.057 0.000 1.126 281 F HN 0.131 nan 8.300 nan 0.000 0.599 282 T N -2.732 112.030 114.554 0.347 0.000 3.018 282 T HA 0.168 4.518 4.350 0.001 0.000 0.246 282 T C 0.362 175.215 174.700 0.255 0.000 1.026 282 T CA 0.186 62.446 62.100 0.267 0.000 1.081 282 T CB -0.137 68.920 68.868 0.314 0.000 0.970 282 T HN 0.519 nan 8.240 nan 0.000 0.475 283 H N -0.067 119.098 119.070 0.159 0.000 2.679 283 H HA 0.679 5.236 4.556 0.001 0.000 0.367 283 H C -1.636 173.766 175.328 0.125 0.000 1.162 283 H CA -1.052 55.064 56.048 0.113 0.000 1.181 283 H CB 2.507 32.322 29.762 0.087 0.000 1.693 283 H HN 0.068 nan 8.280 nan 0.000 0.538 284 L N 2.021 123.348 121.223 0.173 0.000 2.349 284 L HA 0.261 4.602 4.340 0.001 0.000 0.278 284 L C -0.433 176.510 176.870 0.123 0.000 0.996 284 L CA -0.317 54.598 54.840 0.124 0.000 0.825 284 L CB 1.678 43.778 42.059 0.068 0.000 1.243 284 L HN 0.679 nan 8.230 nan 0.000 0.412 285 E N 5.246 125.509 120.200 0.104 0.000 2.145 285 E HA 0.550 4.900 4.350 0.001 0.000 0.270 285 E C -1.684 174.962 176.600 0.076 0.000 0.906 285 E CA -0.609 55.861 56.400 0.117 0.000 0.761 285 E CB 1.089 30.891 29.700 0.169 0.000 1.116 285 E HN 0.681 nan 8.360 nan 0.000 0.408 286 L N 4.543 125.804 121.223 0.064 0.000 2.307 286 L HA 0.381 4.722 4.340 0.001 0.000 0.284 286 L C -0.198 176.675 176.870 0.005 0.000 1.023 286 L CA -1.162 53.688 54.840 0.016 0.000 0.810 286 L CB 0.863 42.919 42.059 -0.005 0.000 1.231 286 L HN 0.503 nan 8.230 nan 0.000 0.423 287 L N 4.007 125.235 121.223 0.009 0.000 2.479 287 L HA 0.143 4.483 4.340 0.001 0.000 0.270 287 L C -1.908 174.862 176.870 -0.167 0.000 1.236 287 L CA -0.894 53.928 54.840 -0.029 0.000 0.823 287 L CB -0.537 41.554 42.059 0.053 0.000 1.098 287 L HN 0.378 nan 8.230 nan 0.000 0.500 288 P HA -0.103 nan 4.420 nan 0.000 0.251 288 P C 0.093 177.233 177.300 -0.266 0.000 1.154 288 P CA 0.375 63.262 63.100 -0.356 0.000 0.805 288 P CB -0.080 31.294 31.700 -0.544 0.000 0.759 289 I N -0.083 120.315 120.570 -0.287 0.000 3.749 289 I HA 0.114 4.285 4.170 0.001 0.000 0.314 289 I C 0.661 176.674 176.117 -0.173 0.000 1.278 289 I CA -0.480 60.657 61.300 -0.272 0.000 1.158 289 I CB -1.511 36.135 38.000 -0.591 0.000 1.018 289 I HN 0.109 nan 8.210 nan 0.000 0.435 290 N N 1.746 120.401 118.700 -0.074 0.000 2.178 290 N HA -0.035 4.705 4.740 0.001 0.000 0.217 290 N C 0.099 175.710 175.510 0.168 0.000 1.342 290 N CA 0.076 53.175 53.050 0.081 0.000 0.884 290 N CB 0.279 38.800 38.487 0.056 0.000 1.105 290 N HN 0.254 nan 8.380 nan 0.000 0.444 291 E N 0.925 121.207 120.200 0.136 0.000 2.109 291 E HA 0.128 4.478 4.350 0.001 0.000 0.278 291 E C -1.252 175.391 176.600 0.071 0.000 0.954 291 E CA -0.446 55.984 56.400 0.050 0.000 0.779 291 E CB 0.127 29.838 29.700 0.018 0.000 1.093 291 E HN 0.473 nan 8.360 nan 0.000 0.401 292 H N 3.858 122.862 119.070 -0.111 0.000 2.771 292 H HA 0.372 4.928 4.556 0.001 0.000 0.361 292 H C -2.332 172.891 175.328 -0.176 0.000 1.108 292 H CA -2.238 53.719 56.048 -0.151 0.000 1.201 292 H CB 1.400 31.086 29.762 -0.125 0.000 1.681 292 H HN 0.295 nan 8.280 nan 0.000 0.534 293 P HA -0.049 nan 4.420 nan 0.000 0.217 293 P C -0.088 177.151 177.300 -0.103 0.000 1.150 293 P CA 0.914 63.799 63.100 -0.359 0.000 0.832 293 P CB 0.331 31.635 31.700 -0.660 0.000 0.787 294 F N -0.194 119.762 119.950 0.010 0.000 2.458 294 F HA 0.246 4.774 4.527 0.001 0.000 0.336 294 F C 1.326 177.196 175.800 0.117 0.000 1.114 294 F CA -1.348 56.674 58.000 0.037 0.000 0.987 294 F CB 1.289 40.289 39.000 -0.001 0.000 1.130 294 F HN -0.330 nan 8.300 nan 0.000 0.458 295 D N 2.601 123.207 120.400 0.343 0.000 2.133 295 D HA -0.148 4.493 4.640 0.001 0.000 0.195 295 D C 2.360 178.737 176.300 0.128 0.000 0.997 295 D CA 1.631 55.853 54.000 0.369 0.000 0.840 295 D CB -0.436 40.665 40.800 0.501 0.000 0.947 295 D HN 0.817 nan 8.370 nan 0.000 0.452 296 G N 0.165 108.928 108.800 -0.061 0.000 2.516 296 G HA2 -0.264 3.697 3.960 0.001 0.000 0.221 296 G HA3 -0.264 3.697 3.960 0.001 0.000 0.221 296 G C 1.571 176.051 174.900 -0.701 0.000 1.107 296 G CA 1.445 46.231 45.100 -0.523 0.000 0.747 296 G HN 0.440 nan 8.290 nan 0.000 0.567 297 S N -1.691 113.838 115.700 -0.285 0.000 2.527 297 S HA -0.022 4.448 4.470 0.001 0.000 0.222 297 S C 1.314 175.839 174.600 -0.124 0.000 0.985 297 S CA 0.877 58.906 58.200 -0.286 0.000 0.921 297 S CB -0.417 62.740 63.200 -0.072 0.000 0.772 297 S HN 0.651 nan 8.310 nan 0.000 0.529 298 W N 0.222 121.521 121.300 -0.001 0.000 2.062 298 W HA -0.222 4.438 4.660 0.001 0.000 0.257 298 W C 1.251 177.615 176.519 -0.258 0.000 1.024 298 W CA 0.570 57.942 57.345 0.044 0.000 0.471 298 W CB -2.323 27.226 29.460 0.148 0.000 2.039 298 W HN 1.074 nan 8.180 nan 0.000 1.321 299 G N -2.143 106.353 108.800 -0.507 0.000 2.192 299 G HA2 -0.304 3.657 3.960 0.001 0.000 0.193 299 G HA3 -0.304 3.657 3.960 0.001 0.000 0.193 299 G C 0.299 174.794 174.900 -0.675 0.000 0.999 299 G CA 0.083 44.509 45.100 -1.124 0.000 0.659 299 G HN 0.329 nan 8.290 nan 0.000 0.503 300 Y N 0.972 121.162 120.300 -0.182 0.000 2.529 300 Y HA 0.346 4.897 4.550 0.001 0.000 0.290 300 Y C 1.716 177.462 175.900 -0.258 0.000 1.177 300 Y CA 1.030 59.029 58.100 -0.167 0.000 1.305 300 Y CB 0.558 38.897 38.460 -0.203 0.000 1.047 300 Y HN 0.316 nan 8.280 nan 0.000 0.522 301 Q N 1.882 121.611 119.800 -0.119 0.000 2.674 301 Q HA 0.241 4.581 4.340 0.001 0.000 0.249 301 Q C -2.689 173.263 176.000 -0.079 0.000 1.011 301 Q CA -2.055 53.690 55.803 -0.096 0.000 0.734 301 Q CB 1.646 30.318 28.738 -0.110 0.000 1.201 301 Q HN 0.061 nan 8.270 nan 0.000 0.498 302 P HA 0.168 nan 4.420 nan 0.000 0.281 302 P C 0.103 177.367 177.300 -0.061 0.000 1.264 302 P CA -0.194 62.897 63.100 -0.016 0.000 0.824 302 P CB 1.843 33.548 31.700 0.009 0.000 1.092 303 T N -3.628 110.897 114.554 -0.049 0.000 2.954 303 T HA 0.341 4.692 4.350 0.001 0.000 0.252 303 T C 0.897 175.574 174.700 -0.038 0.000 0.983 303 T CA 0.038 62.087 62.100 -0.085 0.000 0.941 303 T CB -0.223 68.577 68.868 -0.113 0.000 1.141 303 T HN 0.554 nan 8.240 nan 0.000 0.500 304 G N 1.673 110.482 108.800 0.015 0.000 3.003 304 G HA2 0.531 4.491 3.960 0.001 0.000 0.293 304 G HA3 0.531 4.491 3.960 0.001 0.000 0.293 304 G C 0.413 175.383 174.900 0.116 0.000 1.553 304 G CA -0.498 44.639 45.100 0.062 0.000 1.078 304 G HN 0.100 nan 8.290 nan 0.000 0.550 305 L N 1.178 122.470 121.223 0.115 0.000 2.083 305 L HA -0.063 4.277 4.340 0.001 0.000 0.209 305 L C 1.759 178.627 176.870 -0.003 0.000 1.083 305 L CA 1.663 56.543 54.840 0.067 0.000 0.752 305 L CB -0.615 41.394 42.059 -0.083 0.000 0.899 305 L HN 0.617 nan 8.230 nan 0.000 0.433 306 Y N -0.536 119.728 120.300 -0.060 0.000 2.461 306 Y HA 0.351 4.901 4.550 0.001 0.000 0.277 306 Y C 0.948 176.922 175.900 0.124 0.000 1.182 306 Y CA -0.114 57.840 58.100 -0.242 0.000 1.276 306 Y CB 0.105 38.288 38.460 -0.461 0.000 1.087 306 Y HN 0.051 nan 8.280 nan 0.000 0.519 307 A N 0.336 123.350 122.820 0.322 0.000 2.335 307 A HA 0.606 4.927 4.320 0.001 0.000 0.304 307 A C -2.773 174.987 177.584 0.292 0.000 1.118 307 A CA -1.938 50.303 52.037 0.339 0.000 0.757 307 A CB 0.836 19.983 19.000 0.245 0.000 1.188 307 A HN -0.110 nan 8.150 nan 0.000 0.460 308 P HA 0.077 nan 4.420 nan 0.000 0.269 308 P C 0.324 177.654 177.300 0.050 0.000 1.217 308 P CA 0.299 63.405 63.100 0.010 0.000 0.783 308 P CB 0.494 32.127 31.700 -0.113 0.000 0.898 309 T N 1.604 116.155 114.554 -0.005 0.000 2.870 309 T HA 0.070 4.420 4.350 0.001 0.000 0.300 309 T C 1.299 175.947 174.700 -0.086 0.000 0.989 309 T CA -0.166 61.886 62.100 -0.081 0.000 1.139 309 T CB -0.052 68.687 68.868 -0.214 0.000 0.920 309 T HN 0.190 nan 8.240 nan 0.000 0.537 310 R N 3.280 123.706 120.500 -0.124 0.000 2.285 310 R HA 0.106 4.447 4.340 0.001 0.000 0.213 310 R C 2.290 178.406 176.300 -0.306 0.000 1.068 310 R CA 1.114 57.157 56.100 -0.095 0.000 1.004 310 R CB -0.431 29.836 30.300 -0.056 0.000 0.873 310 R HN 0.705 nan 8.270 nan 0.000 0.467 311 R N -1.082 119.034 120.500 -0.639 0.000 2.119 311 R HA -0.180 4.161 4.340 0.001 0.000 0.246 311 R C 0.599 176.095 176.300 -1.341 0.000 1.146 311 R CA 2.187 57.556 56.100 -1.218 0.000 0.962 311 R CB -0.142 28.955 30.300 -2.005 0.000 0.863 311 R HN 0.317 nan 8.270 nan 0.000 0.442 312 F N -1.842 117.718 119.950 -0.650 0.000 2.706 312 F HA 0.440 4.968 4.527 0.001 0.000 0.313 312 F C 0.874 176.352 175.800 -0.538 0.000 1.096 312 F CA 0.081 57.623 58.000 -0.763 0.000 1.219 312 F CB 1.512 39.710 39.000 -1.337 0.000 1.051 312 F HN 0.199 nan 8.300 nan 0.000 0.568 313 G N 0.192 108.926 108.800 -0.111 0.000 2.356 313 G HA2 0.282 4.242 3.960 0.001 0.000 0.266 313 G HA3 0.282 4.242 3.960 0.001 0.000 0.266 313 G C -0.717 174.393 174.900 0.350 0.000 1.312 313 G CA -0.362 44.880 45.100 0.236 0.000 0.922 313 G HN 0.089 nan 8.290 nan 0.000 0.480 314 T N -1.797 112.976 114.554 0.366 0.000 2.852 314 T HA 0.525 4.875 4.350 0.001 0.000 0.281 314 T C 1.674 176.583 174.700 0.349 0.000 0.993 314 T CA 0.638 62.919 62.100 0.302 0.000 0.933 314 T CB 1.442 70.449 68.868 0.232 0.000 1.187 314 T HN 1.086 nan 8.240 nan 0.000 0.559 315 R N 0.296 120.993 120.500 0.328 0.000 2.092 315 R HA 0.006 4.347 4.340 0.001 0.000 0.231 315 R C 1.345 177.902 176.300 0.427 0.000 1.119 315 R CA 1.582 57.933 56.100 0.419 0.000 0.970 315 R CB -1.104 29.490 30.300 0.490 0.000 0.864 315 R HN 0.535 nan 8.270 nan 0.000 0.440 316 D N 0.658 121.243 120.400 0.307 0.000 2.264 316 D HA -0.096 4.544 4.640 0.001 0.000 0.208 316 D C 0.870 177.321 176.300 0.252 0.000 0.966 316 D CA 0.983 55.128 54.000 0.243 0.000 0.864 316 D CB -0.198 40.706 40.800 0.173 0.000 0.933 316 D HN 0.299 nan 8.370 nan 0.000 0.499 317 D N -0.248 120.318 120.400 0.277 0.000 2.103 317 D HA -0.114 4.527 4.640 0.001 0.000 0.199 317 D C 1.789 178.241 176.300 0.253 0.000 0.978 317 D CA 0.336 54.530 54.000 0.323 0.000 0.829 317 D CB -0.404 40.685 40.800 0.483 0.000 0.981 317 D HN 0.134 nan 8.370 nan 0.000 0.464 318 F N 2.371 122.147 119.950 -0.290 0.000 2.095 318 F HA -0.198 4.329 4.527 0.001 0.000 0.298 318 F C 2.344 178.136 175.800 -0.014 0.000 1.104 318 F CA 1.325 58.912 58.000 -0.688 0.000 1.232 318 F CB -0.340 38.154 39.000 -0.844 0.000 0.987 318 F HN -0.204 nan 8.300 nan 0.000 0.475 319 R N -0.164 120.390 120.500 0.090 0.000 2.103 319 R HA -0.286 4.055 4.340 0.001 0.000 0.242 319 R C 2.226 178.533 176.300 0.012 0.000 1.142 319 R CA 2.258 58.398 56.100 0.067 0.000 0.960 319 R CB -1.904 28.496 30.300 0.166 0.000 0.858 319 R HN 0.524 nan 8.270 nan 0.000 0.439 320 Y N -0.227 120.080 120.300 0.012 0.000 2.333 320 Y HA -0.159 4.391 4.550 0.001 0.000 0.290 320 Y C 1.790 177.696 175.900 0.009 0.000 1.144 320 Y CA 1.818 59.931 58.100 0.023 0.000 1.228 320 Y CB -0.397 38.116 38.460 0.088 0.000 0.985 320 Y HN 0.202 nan 8.280 nan 0.000 0.542 321 F N -0.093 119.834 119.950 -0.038 0.000 2.163 321 F HA -0.154 4.373 4.527 0.001 0.000 0.297 321 F C 1.871 177.478 175.800 -0.323 0.000 1.094 321 F CA 1.229 59.159 58.000 -0.117 0.000 1.290 321 F CB -0.379 38.635 39.000 0.025 0.000 1.017 321 F HN -0.044 nan 8.300 nan 0.000 0.483 322 I N 1.116 121.446 120.570 -0.401 0.000 2.142 322 I HA -0.282 3.888 4.170 0.001 0.000 0.240 322 I C 1.997 177.665 176.117 -0.750 0.000 1.078 322 I CA 1.502 62.409 61.300 -0.655 0.000 1.343 322 I CB -1.553 36.088 38.000 -0.600 0.000 1.046 322 I HN 0.167 nan 8.210 nan 0.000 0.405 323 D N 1.163 121.265 120.400 -0.496 0.000 2.149 323 D HA -0.144 4.496 4.640 0.001 0.000 0.198 323 D C 2.257 178.320 176.300 -0.395 0.000 0.990 323 D CA 1.598 55.383 54.000 -0.358 0.000 0.839 323 D CB -0.176 40.477 40.800 -0.246 0.000 0.948 323 D HN 0.340 nan 8.370 nan 0.000 0.460 324 A N 0.959 123.453 122.820 -0.544 0.000 1.902 324 A HA -0.021 4.299 4.320 0.001 0.000 0.217 324 A C 2.318 179.654 177.584 -0.414 0.000 1.181 324 A CA 2.174 53.910 52.037 -0.501 0.000 0.623 324 A CB -0.742 17.922 19.000 -0.558 0.000 0.818 324 A HN 0.239 nan 8.150 nan 0.000 0.443 325 A N -0.525 121.950 122.820 -0.574 0.000 1.858 325 A HA -0.220 4.101 4.320 0.001 0.000 0.216 325 A C 1.918 179.363 177.584 -0.231 0.000 1.190 325 A CA 1.749 53.501 52.037 -0.476 0.000 0.617 325 A CB -1.200 17.414 19.000 -0.644 0.000 0.827 325 A HN 0.748 nan 8.150 nan 0.000 0.443 326 H N -0.857 118.054 119.070 -0.265 0.000 2.426 326 H HA -0.075 4.482 4.556 0.001 0.000 0.298 326 H C 2.244 177.475 175.328 -0.163 0.000 1.107 326 H CA 0.699 56.629 56.048 -0.197 0.000 1.298 326 H CB 0.016 29.669 29.762 -0.183 0.000 1.377 326 H HN 0.571 nan 8.280 nan 0.000 0.519 327 A N 0.518 123.308 122.820 -0.051 0.000 2.167 327 A HA 0.202 4.522 4.320 0.001 0.000 0.214 327 A C 2.205 179.751 177.584 -0.064 0.000 1.151 327 A CA 0.833 52.829 52.037 -0.068 0.000 0.735 327 A CB -0.162 18.777 19.000 -0.101 0.000 0.802 327 A HN 0.441 nan 8.150 nan 0.000 0.467 328 A N -1.599 121.176 122.820 -0.076 0.000 2.267 328 A HA 0.451 4.772 4.320 0.001 0.000 0.213 328 A C 1.524 179.089 177.584 -0.033 0.000 1.192 328 A CA 0.935 52.941 52.037 -0.051 0.000 0.851 328 A CB -0.570 18.390 19.000 -0.067 0.000 0.881 328 A HN 1.760 nan 8.150 nan 0.000 0.494 329 G N -0.749 108.027 108.800 -0.040 0.000 2.204 329 G HA2 -0.152 3.809 3.960 0.001 0.000 0.244 329 G HA3 -0.152 3.809 3.960 0.001 0.000 0.244 329 G C -0.303 174.571 174.900 -0.043 0.000 1.062 329 G CA 0.274 45.350 45.100 -0.040 0.000 0.798 329 G HN 0.463 nan 8.290 nan 0.000 0.496 330 L N -0.290 120.903 121.223 -0.050 0.000 2.370 330 L HA 0.518 4.859 4.340 0.001 0.000 0.266 330 L C 0.342 177.155 176.870 -0.094 0.000 1.002 330 L CA -1.017 53.782 54.840 -0.068 0.000 0.818 330 L CB 1.851 43.876 42.059 -0.056 0.000 1.325 330 L HN 0.178 nan 8.230 nan 0.000 0.418 331 N N 0.398 118.945 118.700 -0.255 0.000 2.492 331 N HA 0.562 5.303 4.740 0.001 0.000 0.289 331 N C -1.338 174.058 175.510 -0.190 0.000 1.133 331 N CA -0.585 52.277 53.050 -0.313 0.000 0.961 331 N CB 2.496 40.512 38.487 -0.785 0.000 1.186 331 N HN 0.123 nan 8.380 nan 0.000 0.493 332 V N 2.789 122.673 119.914 -0.050 0.000 2.487 332 V HA 0.450 4.570 4.120 0.001 0.000 0.298 332 V C -0.140 175.988 176.094 0.056 0.000 1.028 332 V CA -0.633 61.667 62.300 0.000 0.000 0.860 332 V CB 1.404 33.198 31.823 -0.050 0.000 0.991 332 V HN 0.511 nan 8.190 nan 0.000 0.427 333 I N 5.560 126.192 120.570 0.103 0.000 2.354 333 I HA 0.450 4.620 4.170 0.001 0.000 0.292 333 I C -0.698 175.467 176.117 0.079 0.000 0.989 333 I CA -0.618 60.755 61.300 0.121 0.000 1.188 333 I CB 1.732 39.843 38.000 0.186 0.000 1.342 333 I HN 0.421 nan 8.210 nan 0.000 0.457 334 L N 6.219 127.462 121.223 0.034 0.000 2.305 334 L HA 0.490 4.830 4.340 0.001 0.000 0.284 334 L C -0.693 176.186 176.870 0.015 0.000 1.013 334 L CA -0.188 54.629 54.840 -0.038 0.000 0.819 334 L CB 1.060 42.996 42.059 -0.205 0.000 1.227 334 L HN 0.384 nan 8.230 nan 0.000 0.417 335 D N 4.603 125.018 120.400 0.024 0.000 2.412 335 D HA 0.066 4.706 4.640 0.001 0.000 0.257 335 D C -1.210 175.155 176.300 0.109 0.000 1.217 335 D CA 0.753 54.808 54.000 0.091 0.000 0.897 335 D CB 0.108 40.953 40.800 0.075 0.000 1.132 335 D HN 0.483 nan 8.370 nan 0.000 0.493 336 W N 4.398 125.687 121.300 -0.018 0.000 2.429 336 W HA 0.409 5.069 4.660 0.001 0.000 0.314 336 W C -0.605 175.961 176.519 0.079 0.000 1.062 336 W CA -1.306 56.041 57.345 0.004 0.000 1.211 336 W CB 1.002 30.496 29.460 0.058 0.000 1.305 336 W HN 0.145 nan 8.180 nan 0.000 0.476 337 V N 6.756 126.546 119.914 -0.206 0.000 2.205 337 V HA 0.390 4.511 4.120 0.001 0.000 0.263 337 V C -1.771 174.092 176.094 -0.386 0.000 1.138 337 V CA -1.484 60.708 62.300 -0.180 0.000 1.059 337 V CB 0.558 32.477 31.823 0.159 0.000 1.232 337 V HN 0.573 nan 8.190 nan 0.000 0.469 338 P HA 0.160 nan 4.420 nan 0.000 0.249 338 P C 1.195 178.358 177.300 -0.227 0.000 1.229 338 P CA 0.926 63.634 63.100 -0.652 0.000 0.788 338 P CB 0.532 31.622 31.700 -1.017 0.000 1.072 339 G N -1.261 107.409 108.800 -0.217 0.000 3.088 339 G HA2 0.002 3.962 3.960 0.001 0.000 0.217 339 G HA3 0.002 3.962 3.960 0.001 0.000 0.217 339 G C -0.079 174.777 174.900 -0.073 0.000 1.159 339 G CA -0.017 45.013 45.100 -0.117 0.000 0.760 339 G HN 0.373 nan 8.290 nan 0.000 0.550 340 H N -0.375 118.827 119.070 0.221 0.000 2.691 340 H HA 0.333 4.889 4.556 0.001 0.000 0.281 340 H C -0.995 174.464 175.328 0.218 0.000 1.121 340 H CA -1.024 55.143 56.048 0.199 0.000 1.254 340 H CB 1.081 30.925 29.762 0.136 0.000 1.390 340 H HN 0.100 nan 8.280 nan 0.000 0.491 341 F N 4.339 124.350 119.950 0.102 0.000 2.563 341 F HA 0.154 4.682 4.527 0.001 0.000 0.363 341 F C -2.008 173.725 175.800 -0.111 0.000 1.123 341 F CA -2.161 55.690 58.000 -0.248 0.000 1.307 341 F CB 0.697 39.461 39.000 -0.394 0.000 1.115 341 F HN 0.341 nan 8.300 nan 0.000 0.592 342 P HA 0.099 nan 4.420 nan 0.000 0.271 342 P C -0.021 177.212 177.300 -0.112 0.000 1.233 342 P CA 0.232 63.146 63.100 -0.309 0.000 0.764 342 P CB 0.690 32.147 31.700 -0.405 0.000 0.825 343 T N -1.996 112.527 114.554 -0.051 0.000 3.044 343 T HA 0.162 4.512 4.350 0.001 0.000 0.260 343 T C 0.276 174.896 174.700 -0.135 0.000 1.019 343 T CA -0.124 61.966 62.100 -0.017 0.000 0.921 343 T CB -0.031 68.844 68.868 0.012 0.000 1.053 343 T HN 0.135 nan 8.240 nan 0.000 0.533 344 D N 2.309 122.587 120.400 -0.203 0.000 2.193 344 D HA 0.295 4.936 4.640 0.001 0.000 0.249 344 D C -0.191 175.916 176.300 -0.321 0.000 1.034 344 D CA -0.267 53.551 54.000 -0.303 0.000 0.902 344 D CB 1.098 41.653 40.800 -0.408 0.000 1.182 344 D HN 0.014 nan 8.370 nan 0.000 0.436 345 D N 0.609 120.758 120.400 -0.419 0.000 2.792 345 D HA -0.253 4.387 4.640 0.001 0.000 0.231 345 D C -0.017 176.167 176.300 -0.193 0.000 1.160 345 D CA 0.482 54.275 54.000 -0.346 0.000 0.697 345 D CB -1.570 39.137 40.800 -0.155 0.000 1.070 345 D HN 0.425 nan 8.370 nan 0.000 0.426 346 F N -3.055 116.888 119.950 -0.012 0.000 3.019 346 F HA -0.317 4.210 4.527 0.001 0.000 0.259 346 F C 1.958 177.766 175.800 0.014 0.000 0.976 346 F CA 0.505 58.512 58.000 0.011 0.000 0.876 346 F CB -1.995 37.008 39.000 0.006 0.000 0.784 346 F HN 0.277 nan 8.300 nan 0.000 0.786 347 A N -0.347 122.501 122.820 0.047 0.000 1.859 347 A HA -0.068 4.252 4.320 0.001 0.000 0.217 347 A C 2.017 179.608 177.584 0.013 0.000 1.198 347 A CA 2.379 54.416 52.037 -0.001 0.000 0.629 347 A CB -0.326 18.601 19.000 -0.121 0.000 0.830 347 A HN 0.448 nan 8.150 nan 0.000 0.446 348 L N -2.671 118.502 121.223 -0.083 0.000 2.993 348 L HA 0.466 4.806 4.340 0.001 0.000 0.264 348 L C 1.095 178.109 176.870 0.240 0.000 1.154 348 L CA 0.710 55.459 54.840 -0.150 0.000 0.972 348 L CB 0.043 41.658 42.059 -0.740 0.000 1.373 348 L HN 0.351 nan 8.230 nan 0.000 0.564 349 A N 0.064 123.101 122.820 0.362 0.000 2.445 349 A HA 0.255 4.576 4.320 0.001 0.000 0.242 349 A C 0.630 178.381 177.584 0.278 0.000 1.075 349 A CA 0.067 52.343 52.037 0.397 0.000 0.777 349 A CB -0.257 18.942 19.000 0.333 0.000 1.013 349 A HN 0.458 nan 8.150 nan 0.000 0.493 350 E N -0.652 119.673 120.200 0.208 0.000 2.294 350 E HA -0.253 4.097 4.350 0.001 0.000 0.228 350 E C -0.682 176.007 176.600 0.148 0.000 1.253 350 E CA 0.529 57.007 56.400 0.131 0.000 0.716 350 E CB -1.503 28.230 29.700 0.055 0.000 1.184 350 E HN 0.529 nan 8.360 nan 0.000 0.374 351 F N 1.935 121.939 119.950 0.089 0.000 2.495 351 F HA 0.031 4.558 4.527 0.001 0.000 0.365 351 F C 1.328 177.124 175.800 -0.007 0.000 1.090 351 F CA 0.894 58.929 58.000 0.059 0.000 1.235 351 F CB 0.569 39.658 39.000 0.149 0.000 1.119 351 F HN 0.302 nan 8.300 nan 0.000 0.562 352 D N 2.777 123.020 120.400 -0.262 0.000 3.006 352 D HA -0.224 4.417 4.640 0.001 0.000 0.205 352 D C 0.768 177.007 176.300 -0.102 0.000 1.075 352 D CA 1.434 55.329 54.000 -0.175 0.000 1.000 352 D CB -1.633 39.131 40.800 -0.060 0.000 1.097 352 D HN 1.541 nan 8.370 nan 0.000 0.426 353 G N -1.460 107.291 108.800 -0.081 0.000 2.175 353 G HA2 -0.058 3.903 3.960 0.001 0.000 0.244 353 G HA3 -0.058 3.903 3.960 0.001 0.000 0.244 353 G C 0.352 175.235 174.900 -0.027 0.000 0.982 353 G CA 1.152 46.217 45.100 -0.058 0.000 0.641 353 G HN 1.711 nan 8.290 nan 0.000 0.527 354 T N -2.550 111.998 114.554 -0.010 0.000 2.883 354 T HA 0.560 4.910 4.350 0.001 0.000 0.296 354 T C -0.217 174.499 174.700 0.027 0.000 1.117 354 T CA -0.277 61.821 62.100 -0.003 0.000 1.006 354 T CB 1.385 70.241 68.868 -0.021 0.000 1.191 354 T HN 0.170 nan 8.240 nan 0.000 0.508 355 N N 1.589 120.301 118.700 0.020 0.000 2.744 355 N HA 0.162 4.902 4.740 0.001 0.000 0.290 355 N C 1.071 176.613 175.510 0.054 0.000 1.206 355 N CA -0.290 52.782 53.050 0.037 0.000 1.119 355 N CB 0.047 38.534 38.487 0.000 0.000 1.449 355 N HN 0.412 nan 8.380 nan 0.000 0.514 356 L N 0.628 121.902 121.223 0.085 0.000 2.022 356 L HA -0.120 4.221 4.340 0.001 0.000 0.204 356 L C 1.232 178.156 176.870 0.089 0.000 1.076 356 L CA 1.310 56.151 54.840 0.001 0.000 0.749 356 L CB -0.155 41.801 42.059 -0.172 0.000 0.903 356 L HN 0.532 nan 8.230 nan 0.000 0.439 357 Y N -0.111 120.319 120.300 0.216 0.000 2.314 357 Y HA -0.061 4.489 4.550 0.001 0.000 0.294 357 Y C 1.584 177.617 175.900 0.221 0.000 1.119 357 Y CA 0.074 58.355 58.100 0.302 0.000 1.179 357 Y CB 0.153 38.784 38.460 0.286 0.000 1.025 357 Y HN 0.249 nan 8.280 nan 0.000 0.541 358 E N 0.181 120.451 120.200 0.116 0.000 2.254 358 E HA 0.089 4.440 4.350 0.001 0.000 0.261 358 E C -0.923 175.631 176.600 -0.077 0.000 1.051 358 E CA -0.555 55.631 56.400 -0.358 0.000 0.902 358 E CB 0.356 29.457 29.700 -0.997 0.000 1.168 358 E HN 0.330 nan 8.360 nan 0.000 0.423 359 H N 0.184 119.114 119.070 -0.233 0.000 2.757 359 H HA 0.057 4.614 4.556 0.001 0.000 0.370 359 H C 0.604 175.875 175.328 -0.095 0.000 1.172 359 H CA 0.106 56.087 56.048 -0.113 0.000 1.426 359 H CB 0.913 30.623 29.762 -0.088 0.000 1.438 359 H HN 0.663 nan 8.280 nan 0.000 0.612 372 T N 2.302 116.868 114.554 0.020 0.000 2.427 372 T HA 0.144 4.494 4.350 0.001 0.000 0.200 372 T C 0.142 174.835 174.700 -0.011 0.000 1.034 372 T CA 1.162 63.275 62.100 0.021 0.000 1.177 372 T CB -1.295 67.590 68.868 0.029 0.000 0.993 372 T HN 0.404 nan 8.240 nan 0.000 0.447 373 L N 4.366 125.561 121.223 -0.047 0.000 2.303 373 L HA 0.901 5.242 4.340 0.001 0.000 0.256 373 L C -0.338 176.390 176.870 -0.236 0.000 1.034 373 L CA -1.600 53.134 54.840 -0.177 0.000 0.832 373 L CB 2.104 43.968 42.059 -0.325 0.000 1.403 373 L HN 0.673 nan 8.230 nan 0.000 0.419 374 I N -1.936 118.453 120.570 -0.302 0.000 2.740 374 I HA 0.505 4.676 4.170 0.001 0.000 0.303 374 I C -0.993 174.866 176.117 -0.430 0.000 1.044 374 I CA -0.960 60.197 61.300 -0.237 0.000 1.064 374 I CB 1.968 39.923 38.000 -0.074 0.000 1.249 374 I HN 0.575 nan 8.210 nan 0.000 0.433 375 Y N 2.228 122.280 120.300 -0.413 0.000 2.597 375 Y HA -0.000 4.550 4.550 0.001 0.000 0.336 375 Y C 0.863 176.356 175.900 -0.678 0.000 1.216 375 Y CA 0.471 58.258 58.100 -0.522 0.000 1.463 375 Y CB 0.190 38.082 38.460 -0.947 0.000 1.303 375 Y HN 0.614 nan 8.280 nan 0.000 0.576 376 N N 2.748 121.390 118.700 -0.096 0.000 2.663 376 N HA 0.035 4.775 4.740 0.001 0.000 0.250 376 N C -0.081 175.423 175.510 -0.010 0.000 1.129 376 N CA 0.128 53.211 53.050 0.055 0.000 0.995 376 N CB -0.322 38.308 38.487 0.239 0.000 1.324 376 N HN 0.534 nan 8.380 nan 0.000 0.512 377 Y N 0.933 121.237 120.300 0.007 0.000 2.274 377 Y HA -0.029 4.522 4.550 0.001 0.000 0.290 377 Y C 2.290 178.236 175.900 0.076 0.000 1.145 377 Y CA 1.020 59.069 58.100 -0.086 0.000 1.203 377 Y CB 0.020 38.364 38.460 -0.193 0.000 0.984 377 Y HN 0.583 nan 8.280 nan 0.000 0.533 378 G N -0.004 108.950 108.800 0.257 0.000 2.625 378 G HA2 -0.137 3.823 3.960 0.001 0.000 0.214 378 G HA3 -0.137 3.823 3.960 0.001 0.000 0.214 378 G C 0.749 175.750 174.900 0.169 0.000 1.132 378 G CA -0.236 44.992 45.100 0.214 0.000 0.782 378 G HN 0.115 nan 8.290 nan 0.000 0.538 379 R N 0.199 120.795 120.500 0.161 0.000 2.254 379 R HA 0.258 4.598 4.340 0.001 0.000 0.318 379 R C 1.563 177.915 176.300 0.085 0.000 1.031 379 R CA -0.767 55.405 56.100 0.120 0.000 0.905 379 R CB 0.779 31.159 30.300 0.134 0.000 1.050 379 R HN 0.061 nan 8.270 nan 0.000 0.456 380 R N 3.305 123.829 120.500 0.040 0.000 2.113 380 R HA -0.221 4.119 4.340 0.001 0.000 0.244 380 R C 0.873 177.162 176.300 -0.018 0.000 1.142 380 R CA 2.361 58.464 56.100 0.005 0.000 0.953 380 R CB -0.047 30.226 30.300 -0.045 0.000 0.860 380 R HN 0.675 nan 8.270 nan 0.000 0.438 381 E N -0.849 119.219 120.200 -0.219 0.000 2.152 381 E HA -0.034 4.316 4.350 0.001 0.000 0.192 381 E C 1.990 178.494 176.600 -0.160 0.000 0.983 381 E CA 1.155 57.293 56.400 -0.437 0.000 0.818 381 E CB -0.138 28.659 29.700 -1.506 0.000 0.758 381 E HN 0.131 nan 8.360 nan 0.000 0.467 382 V N 0.545 120.414 119.914 -0.075 0.000 2.295 382 V HA -0.261 3.860 4.120 0.001 0.000 0.246 382 V C 2.356 178.642 176.094 0.319 0.000 1.049 382 V CA 1.939 64.347 62.300 0.180 0.000 1.024 382 V CB -0.668 31.261 31.823 0.176 0.000 0.648 382 V HN 0.306 nan 8.190 nan 0.000 0.447 383 S N 0.434 116.296 115.700 0.270 0.000 2.356 383 S HA -0.217 4.254 4.470 0.001 0.000 0.223 383 S C 1.955 176.821 174.600 0.443 0.000 1.032 383 S CA 1.833 60.295 58.200 0.437 0.000 1.005 383 S CB -0.488 62.954 63.200 0.403 0.000 0.867 383 S HN 0.668 nan 8.310 nan 0.000 0.449 384 N N 0.775 119.674 118.700 0.331 0.000 2.104 384 N HA -0.111 4.630 4.740 0.001 0.000 0.190 384 N C 1.465 177.249 175.510 0.456 0.000 1.024 384 N CA 1.362 54.616 53.050 0.340 0.000 0.853 384 N CB -0.826 37.832 38.487 0.285 0.000 1.008 384 N HN 0.523 nan 8.380 nan 0.000 0.424 385 F N 2.064 122.224 119.950 0.350 0.000 2.065 385 F HA -0.135 4.393 4.527 0.001 0.000 0.298 385 F C 2.141 178.199 175.800 0.430 0.000 1.112 385 F CA 1.320 59.579 58.000 0.432 0.000 1.212 385 F CB -0.495 38.747 39.000 0.403 0.000 0.975 385 F HN -0.073 nan 8.300 nan 0.000 0.476 386 L N -0.773 120.624 121.223 0.290 0.000 2.023 386 L HA -0.182 4.158 4.340 0.001 0.000 0.205 386 L C 2.408 179.613 176.870 0.558 0.000 1.073 386 L CA 1.107 56.108 54.840 0.269 0.000 0.745 386 L CB -1.035 41.192 42.059 0.281 0.000 0.900 386 L HN 0.007 nan 8.230 nan 0.000 0.435 387 V N 0.551 120.789 119.914 0.540 0.000 2.332 387 V HA -0.237 3.884 4.120 0.001 0.000 0.248 387 V C 2.662 178.913 176.094 0.262 0.000 1.055 387 V CA 2.076 64.586 62.300 0.350 0.000 1.038 387 V CB -1.412 30.553 31.823 0.237 0.000 0.651 387 V HN 0.591 nan 8.190 nan 0.000 0.450 388 G N -0.319 108.697 108.800 0.361 0.000 2.440 388 G HA2 -0.347 3.614 3.960 0.001 0.000 0.218 388 G HA3 -0.347 3.614 3.960 0.001 0.000 0.218 388 G C 1.493 176.615 174.900 0.371 0.000 1.154 388 G CA 1.015 46.430 45.100 0.525 0.000 0.767 388 G HN 0.572 nan 8.290 nan 0.000 0.552 389 N N 0.927 119.685 118.700 0.096 0.000 2.104 389 N HA -0.142 4.599 4.740 0.001 0.000 0.190 389 N C 2.522 177.902 175.510 -0.217 0.000 1.024 389 N CA 1.232 54.010 53.050 -0.453 0.000 0.853 389 N CB -0.161 38.056 38.487 -0.450 0.000 1.008 389 N HN 0.275 nan 8.380 nan 0.000 0.424 390 A N 1.758 124.448 122.820 -0.218 0.000 1.858 390 A HA -0.103 4.217 4.320 0.001 0.000 0.216 390 A C 2.156 179.629 177.584 -0.185 0.000 1.190 390 A CA 0.898 52.599 52.037 -0.561 0.000 0.617 390 A CB -0.700 17.773 19.000 -0.878 0.000 0.827 390 A HN 0.275 nan 8.150 nan 0.000 0.443 391 L N -1.441 119.773 121.223 -0.016 0.000 2.131 391 L HA -0.182 4.158 4.340 0.001 0.000 0.210 391 L C 2.398 179.320 176.870 0.086 0.000 1.092 391 L CA 1.981 56.878 54.840 0.095 0.000 0.759 391 L CB -1.815 40.396 42.059 0.253 0.000 0.903 391 L HN 0.649 nan 8.230 nan 0.000 0.435 392 Y N -0.099 120.043 120.300 -0.263 0.000 2.014 392 Y HA -0.291 4.259 4.550 0.001 0.000 0.270 392 Y C 2.554 178.311 175.900 -0.240 0.000 1.145 392 Y CA 1.676 59.386 58.100 -0.651 0.000 1.106 392 Y CB -0.944 36.918 38.460 -0.997 0.000 0.968 392 Y HN 0.047 nan 8.280 nan 0.000 0.484 393 W N 0.380 121.608 121.300 -0.120 0.000 2.318 393 W HA -0.283 4.378 4.660 0.001 0.000 0.313 393 W C 2.511 178.997 176.519 -0.054 0.000 1.221 393 W CA 1.506 58.797 57.345 -0.090 0.000 1.266 393 W CB -0.516 28.891 29.460 -0.089 0.000 1.150 393 W HN 0.116 nan 8.180 nan 0.000 0.496 394 I N -0.212 120.451 120.570 0.155 0.000 2.202 394 I HA -0.252 3.918 4.170 0.001 0.000 0.242 394 I C 2.191 178.327 176.117 0.032 0.000 1.091 394 I CA 1.520 62.861 61.300 0.069 0.000 1.368 394 I CB -0.593 37.409 38.000 0.004 0.000 1.058 394 I HN 0.039 nan 8.210 nan 0.000 0.410 395 E N 0.205 120.410 120.200 0.009 0.000 2.076 395 E HA -0.088 4.263 4.350 0.001 0.000 0.190 395 E C 2.269 178.820 176.600 -0.082 0.000 0.979 395 E CA 0.601 56.995 56.400 -0.011 0.000 0.807 395 E CB 0.156 29.887 29.700 0.052 0.000 0.761 395 E HN 0.305 nan 8.360 nan 0.000 0.454 396 R N -0.469 119.917 120.500 -0.190 0.000 2.173 396 R HA 0.068 4.409 4.340 0.001 0.000 0.208 396 R C 1.412 177.363 176.300 -0.583 0.000 1.035 396 R CA 0.676 56.527 56.100 -0.416 0.000 1.004 396 R CB -0.030 29.886 30.300 -0.641 0.000 0.917 396 R HN 0.189 nan 8.270 nan 0.000 0.462 397 F N -0.596 119.258 119.950 -0.160 0.000 2.724 397 F HA 0.289 4.816 4.527 0.001 0.000 0.306 397 F C 1.334 177.093 175.800 -0.070 0.000 1.100 397 F CA 0.481 58.428 58.000 -0.089 0.000 1.255 397 F CB 0.496 39.542 39.000 0.077 0.000 1.072 397 F HN 0.205 nan 8.300 nan 0.000 0.589 398 G N 1.849 110.719 108.800 0.117 0.000 2.153 398 G HA2 -0.326 3.635 3.960 0.001 0.000 0.252 398 G HA3 -0.326 3.635 3.960 0.001 0.000 0.252 398 G C 0.306 175.330 174.900 0.207 0.000 0.994 398 G CA 0.172 45.363 45.100 0.151 0.000 0.698 398 G HN 0.429 nan 8.290 nan 0.000 0.521 399 I N -2.023 118.637 120.570 0.151 0.000 2.683 399 I HA 0.338 4.508 4.170 0.001 0.000 0.286 399 I C 0.944 177.110 176.117 0.083 0.000 1.175 399 I CA 0.062 61.424 61.300 0.102 0.000 1.429 399 I CB 0.537 38.579 38.000 0.070 0.000 1.371 399 I HN 0.015 nan 8.210 nan 0.000 0.569 400 D N 5.086 125.534 120.400 0.080 0.000 2.269 400 D HA 0.153 4.793 4.640 0.001 0.000 0.208 400 D C 0.603 176.902 176.300 -0.001 0.000 0.963 400 D CA 1.235 55.240 54.000 0.008 0.000 0.864 400 D CB 0.337 41.118 40.800 -0.032 0.000 0.936 400 D HN 0.789 nan 8.370 nan 0.000 0.505 401 A N 0.070 122.910 122.820 0.033 0.000 2.608 401 A HA 0.606 4.927 4.320 0.001 0.000 0.292 401 A C -1.694 175.926 177.584 0.059 0.000 1.066 401 A CA -0.662 51.402 52.037 0.045 0.000 0.676 401 A CB 1.023 20.084 19.000 0.102 0.000 1.277 401 A HN 0.036 nan 8.150 nan 0.000 0.413 402 L N 1.111 122.381 121.223 0.079 0.000 2.346 402 L HA 0.687 5.028 4.340 0.001 0.000 0.276 402 L C 0.209 177.212 176.870 0.223 0.000 1.006 402 L CA -0.641 54.271 54.840 0.121 0.000 0.817 402 L CB 1.951 44.041 42.059 0.052 0.000 1.272 402 L HN 0.809 nan 8.230 nan 0.000 0.421 403 R N 2.487 123.118 120.500 0.219 0.000 2.393 403 R HA 0.647 4.988 4.340 0.001 0.000 0.315 403 R C -1.605 174.800 176.300 0.175 0.000 0.952 403 R CA -0.495 55.703 56.100 0.163 0.000 0.842 403 R CB 1.907 32.262 30.300 0.091 0.000 1.163 403 R HN 0.429 nan 8.270 nan 0.000 0.450 404 V N 5.151 125.141 119.914 0.126 0.000 2.483 404 V HA 0.237 4.357 4.120 0.001 0.000 0.295 404 V C 0.179 176.191 176.094 -0.137 0.000 1.035 404 V CA -0.585 61.765 62.300 0.082 0.000 0.896 404 V CB 1.628 33.572 31.823 0.202 0.000 0.986 404 V HN 0.878 nan 8.190 nan 0.000 0.447 405 D N 3.276 123.617 120.400 -0.097 0.000 2.506 405 D HA 0.508 5.148 4.640 0.001 0.000 0.254 405 D C 0.451 176.664 176.300 -0.145 0.000 1.089 405 D CA -0.179 53.722 54.000 -0.164 0.000 1.050 405 D CB 1.964 42.723 40.800 -0.067 0.000 1.221 405 D HN 0.951 nan 8.370 nan 0.000 0.589 406 A N -0.217 122.535 122.820 -0.113 0.000 2.665 406 A HA -0.169 4.152 4.320 0.001 0.000 0.301 406 A C 1.391 178.922 177.584 -0.090 0.000 1.509 406 A CA 0.864 52.865 52.037 -0.059 0.000 0.789 406 A CB -2.166 16.840 19.000 0.009 0.000 1.024 406 A HN 0.452 nan 8.150 nan 0.000 0.460 407 V N -1.089 118.754 119.914 -0.119 0.000 2.594 407 V HA -0.247 3.873 4.120 0.001 0.000 0.253 407 V C 2.835 178.875 176.094 -0.091 0.000 1.069 407 V CA 2.609 64.832 62.300 -0.129 0.000 1.082 407 V CB -0.933 30.776 31.823 -0.190 0.000 0.680 407 V HN 1.092 nan 8.190 nan 0.000 0.469 408 A N 0.744 123.559 122.820 -0.008 0.000 1.930 408 A HA -0.186 4.134 4.320 0.001 0.000 0.217 408 A C 2.502 180.162 177.584 0.128 0.000 1.175 408 A CA 2.012 54.116 52.037 0.112 0.000 0.627 408 A CB -0.675 18.416 19.000 0.153 0.000 0.815 408 A HN 0.691 nan 8.150 nan 0.000 0.443 409 S N -0.835 114.905 115.700 0.067 0.000 2.474 409 S HA -0.062 4.408 4.470 0.001 0.000 0.235 409 S C 1.841 176.464 174.600 0.038 0.000 0.997 409 S CA 1.459 59.705 58.200 0.076 0.000 0.949 409 S CB -0.458 62.787 63.200 0.075 0.000 0.766 409 S HN 0.524 nan 8.310 nan 0.000 0.517 410 M N 1.360 120.938 119.600 -0.037 0.000 2.216 410 M HA 0.241 4.721 4.480 0.001 0.000 0.264 410 M C 2.252 178.454 176.300 -0.163 0.000 1.080 410 M CA 1.186 56.434 55.300 -0.087 0.000 1.153 410 M CB -0.443 32.054 32.600 -0.171 0.000 1.356 410 M HN 0.435 nan 8.290 nan 0.000 0.432 411 I N -2.450 117.952 120.570 -0.281 0.000 2.928 411 I HA -0.041 4.129 4.170 0.001 0.000 0.266 411 I C -0.285 175.473 176.117 -0.597 0.000 1.234 411 I CA 0.641 61.637 61.300 -0.506 0.000 1.483 411 I CB -0.330 37.181 38.000 -0.816 0.000 1.097 411 I HN 0.046 nan 8.210 nan 0.000 0.455 412 Y N 1.489 121.765 120.300 -0.041 0.000 2.331 412 Y HA 0.493 5.043 4.550 0.001 0.000 0.334 412 Y C 0.627 176.538 175.900 0.017 0.000 0.960 412 Y CA -0.937 57.165 58.100 0.003 0.000 1.130 412 Y CB 1.391 39.861 38.460 0.016 0.000 1.164 412 Y HN -0.158 nan 8.280 nan 0.000 0.458 413 R N 2.288 122.892 120.500 0.173 0.000 2.849 413 R HA 0.241 4.582 4.340 0.001 0.000 0.238 413 R C 0.288 176.658 176.300 0.118 0.000 1.403 413 R CA 0.712 56.883 56.100 0.118 0.000 1.303 413 R CB -1.067 29.292 30.300 0.100 0.000 1.191 413 R HN 1.039 nan 8.270 nan 0.000 0.533 430 R N -1.269 119.299 120.500 0.114 0.000 1.621 430 R HA 0.015 4.355 4.340 0.001 0.000 0.034 430 R C -0.569 175.847 176.300 0.193 0.000 0.812 430 R CA 0.324 56.514 56.100 0.150 0.000 3.357 430 R CB -0.468 29.929 30.300 0.162 0.000 0.828 430 R HN 0.489 nan 8.270 nan 0.000 0.567 431 E N 1.671 121.964 120.200 0.155 0.000 2.301 431 E HA 0.144 4.495 4.350 0.001 0.000 0.275 431 E C -0.945 175.648 176.600 -0.011 0.000 1.030 431 E CA -0.559 55.861 56.400 0.032 0.000 0.852 431 E CB 0.955 30.676 29.700 0.035 0.000 1.060 431 E HN 0.084 nan 8.360 nan 0.000 0.401 432 N N 4.022 122.664 118.700 -0.097 0.000 2.555 432 N HA 0.042 4.783 4.740 0.001 0.000 0.244 432 N C 0.732 176.211 175.510 -0.051 0.000 1.114 432 N CA 0.083 53.103 53.050 -0.049 0.000 0.963 432 N CB 0.371 38.818 38.487 -0.066 0.000 1.276 432 N HN 0.535 nan 8.380 nan 0.000 0.510 433 L N 2.349 123.576 121.223 0.007 0.000 2.012 433 L HA -0.193 4.148 4.340 0.001 0.000 0.210 433 L C 1.883 178.772 176.870 0.033 0.000 1.073 433 L CA 1.410 56.263 54.840 0.022 0.000 0.748 433 L CB -0.239 41.849 42.059 0.050 0.000 0.891 433 L HN 0.514 nan 8.230 nan 0.000 0.431 434 E N 0.272 120.514 120.200 0.070 0.000 2.118 434 E HA -0.228 4.122 4.350 0.001 0.000 0.195 434 E C 2.280 178.935 176.600 0.092 0.000 0.992 434 E CA 1.209 57.679 56.400 0.117 0.000 0.804 434 E CB -0.200 29.605 29.700 0.176 0.000 0.741 434 E HN 0.530 nan 8.360 nan 0.000 0.458 435 A N 1.147 123.954 122.820 -0.022 0.000 1.873 435 A HA -0.142 4.179 4.320 0.001 0.000 0.215 435 A C 2.195 179.677 177.584 -0.171 0.000 1.186 435 A CA 0.995 52.870 52.037 -0.269 0.000 0.616 435 A CB -0.521 18.290 19.000 -0.315 0.000 0.823 435 A HN 0.115 nan 8.150 nan 0.000 0.442 436 I N -0.608 119.878 120.570 -0.141 0.000 2.179 436 I HA -0.235 3.936 4.170 0.001 0.000 0.242 436 I C 2.549 178.635 176.117 -0.052 0.000 1.088 436 I CA 1.788 63.009 61.300 -0.132 0.000 1.357 436 I CB -0.230 37.697 38.000 -0.121 0.000 1.051 436 I HN 0.367 nan 8.210 nan 0.000 0.409 437 E N 0.990 121.187 120.200 -0.005 0.000 2.153 437 E HA -0.257 4.093 4.350 0.001 0.000 0.194 437 E C 1.931 178.539 176.600 0.013 0.000 0.988 437 E CA 1.328 57.737 56.400 0.014 0.000 0.811 437 E CB -0.360 29.368 29.700 0.047 0.000 0.746 437 E HN 0.424 nan 8.360 nan 0.000 0.466 438 F N 0.575 120.474 119.950 -0.085 0.000 2.051 438 F HA -0.138 4.389 4.527 0.001 0.000 0.296 438 F C 1.872 177.620 175.800 -0.088 0.000 1.122 438 F CA 1.632 59.588 58.000 -0.073 0.000 1.201 438 F CB -0.562 38.343 39.000 -0.158 0.000 0.978 438 F HN 0.037 nan 8.300 nan 0.000 0.472 439 L N 0.234 121.348 121.223 -0.181 0.000 2.021 439 L HA -0.310 4.031 4.340 0.001 0.000 0.215 439 L C 2.718 179.388 176.870 -0.332 0.000 1.074 439 L CA 1.928 56.622 54.840 -0.244 0.000 0.760 439 L CB -0.733 41.304 42.059 -0.037 0.000 0.889 439 L HN 0.136 nan 8.230 nan 0.000 0.433 440 R N -0.446 119.923 120.500 -0.219 0.000 2.080 440 R HA -0.173 4.168 4.340 0.001 0.000 0.236 440 R C 2.228 178.400 176.300 -0.213 0.000 1.137 440 R CA 1.633 57.619 56.100 -0.190 0.000 0.943 440 R CB -0.503 29.738 30.300 -0.100 0.000 0.846 440 R HN 0.433 nan 8.270 nan 0.000 0.431 441 N N -0.182 118.386 118.700 -0.219 0.000 2.104 441 N HA -0.133 4.607 4.740 0.001 0.000 0.190 441 N C 1.623 176.986 175.510 -0.246 0.000 1.024 441 N CA 1.845 54.776 53.050 -0.198 0.000 0.853 441 N CB -0.159 38.227 38.487 -0.169 0.000 1.008 441 N HN 0.227 nan 8.380 nan 0.000 0.424 442 T N 1.081 115.387 114.554 -0.414 0.000 2.652 442 T HA -0.104 4.246 4.350 0.001 0.000 0.267 442 T C 1.643 176.217 174.700 -0.210 0.000 1.039 442 T CA 1.346 63.241 62.100 -0.342 0.000 1.153 442 T CB -0.427 68.185 68.868 -0.427 0.000 0.863 442 T HN 0.386 nan 8.240 nan 0.000 0.428 443 N N 0.157 118.704 118.700 -0.254 0.000 2.166 443 N HA -0.079 4.661 4.740 0.001 0.000 0.186 443 N C 2.042 177.506 175.510 -0.077 0.000 1.019 443 N CA 0.792 53.733 53.050 -0.182 0.000 0.856 443 N CB -0.054 38.244 38.487 -0.316 0.000 0.993 443 N HN 0.294 nan 8.380 nan 0.000 0.426 444 R N 1.202 121.641 120.500 -0.102 0.000 2.061 444 R HA -0.049 4.292 4.340 0.001 0.000 0.230 444 R C 2.042 178.321 176.300 -0.034 0.000 1.140 444 R CA 1.193 57.259 56.100 -0.055 0.000 0.940 444 R CB -0.373 29.887 30.300 -0.068 0.000 0.839 444 R HN 0.153 nan 8.270 nan 0.000 0.429 445 I N 1.608 122.146 120.570 -0.052 0.000 2.185 445 I HA -0.270 3.900 4.170 0.001 0.000 0.246 445 I C 1.009 177.112 176.117 -0.023 0.000 1.088 445 I CA 0.962 62.244 61.300 -0.031 0.000 1.347 445 I CB -0.212 37.770 38.000 -0.030 0.000 1.041 445 I HN 0.181 nan 8.210 nan 0.000 0.415 446 L N 0.120 121.321 121.223 -0.037 0.000 2.464 446 L HA 0.207 4.548 4.340 0.001 0.000 0.264 446 L C 1.550 178.419 176.870 -0.001 0.000 1.199 446 L CA 0.538 55.356 54.840 -0.037 0.000 0.818 446 L CB 0.306 42.327 42.059 -0.063 0.000 1.102 446 L HN 0.459 nan 8.230 nan 0.000 0.473 447 G N 0.518 109.304 108.800 -0.024 0.000 2.435 447 G HA2 -0.369 3.592 3.960 0.001 0.000 0.245 447 G HA3 -0.369 3.592 3.960 0.001 0.000 0.245 447 G C 1.001 175.912 174.900 0.018 0.000 1.073 447 G CA 0.798 45.902 45.100 0.007 0.000 0.638 447 G HN 0.735 nan 8.290 nan 0.000 0.521 448 E N -0.657 119.551 120.200 0.013 0.000 2.140 448 E HA 0.064 4.415 4.350 0.001 0.000 0.191 448 E C 2.417 179.013 176.600 -0.008 0.000 0.973 448 E CA 0.948 57.351 56.400 0.005 0.000 0.829 448 E CB -0.013 29.688 29.700 0.002 0.000 0.781 448 E HN 0.504 nan 8.360 nan 0.000 0.466 449 Q N -0.478 119.314 119.800 -0.012 0.000 2.304 449 Q HA 0.025 4.366 4.340 0.001 0.000 0.204 449 Q C 1.489 177.473 176.000 -0.027 0.000 0.936 449 Q CA 0.974 56.768 55.803 -0.014 0.000 0.878 449 Q CB 1.213 29.950 28.738 -0.002 0.000 0.983 449 Q HN 0.264 nan 8.270 nan 0.000 0.516 450 V N -1.026 118.863 119.914 -0.042 0.000 2.887 450 V HA 0.328 4.448 4.120 0.001 0.000 0.370 450 V C 0.465 176.497 176.094 -0.102 0.000 1.322 450 V CA -0.708 61.552 62.300 -0.066 0.000 1.267 450 V CB 0.287 32.068 31.823 -0.070 0.000 1.344 450 V HN 0.054 nan 8.190 nan 0.000 0.573 451 S N 1.838 117.487 115.700 -0.085 0.000 3.116 451 S HA 0.287 4.758 4.470 0.001 0.000 0.367 451 S C 1.630 176.126 174.600 -0.173 0.000 1.202 451 S CA 1.872 60.005 58.200 -0.112 0.000 1.018 451 S CB -0.362 62.800 63.200 -0.064 0.000 0.726 451 S HN 2.211 nan 8.310 nan 0.000 0.506 452 G N 3.065 111.690 108.800 -0.292 0.000 2.278 452 G HA2 -0.040 3.920 3.960 0.001 0.000 0.210 452 G HA3 -0.040 3.920 3.960 0.001 0.000 0.210 452 G C 0.164 174.866 174.900 -0.330 0.000 1.000 452 G CA -0.145 44.772 45.100 -0.305 0.000 0.635 452 G HN 1.727 nan 8.290 nan 0.000 0.495 453 A N 1.351 123.991 122.820 -0.299 0.000 2.391 453 A HA 0.729 5.049 4.320 0.001 0.000 0.316 453 A C 0.754 178.124 177.584 -0.356 0.000 1.381 453 A CA 0.323 52.215 52.037 -0.241 0.000 0.998 453 A CB 0.150 19.058 19.000 -0.152 0.000 1.147 453 A HN 1.865 nan 8.150 nan 0.000 0.545 454 V N 1.683 121.368 119.914 -0.382 0.000 2.834 454 V HA 0.790 4.911 4.120 0.001 0.000 0.301 454 V C 0.296 176.370 176.094 -0.032 0.000 1.066 454 V CA 0.072 62.089 62.300 -0.470 0.000 1.052 454 V CB 0.991 32.659 31.823 -0.259 0.000 1.021 454 V HN 0.907 nan 8.190 nan 0.000 0.480 455 T N 2.737 117.411 114.554 0.200 0.000 2.856 455 T HA 0.784 5.135 4.350 0.001 0.000 0.283 455 T C -0.523 174.564 174.700 0.645 0.000 1.008 455 T CA -0.784 61.566 62.100 0.417 0.000 0.997 455 T CB 1.516 70.626 68.868 0.403 0.000 0.992 455 T HN 0.758 nan 8.240 nan 0.000 0.454 456 M N 1.731 121.641 119.600 0.518 0.000 2.602 456 M HA 0.785 5.266 4.480 0.001 0.000 0.312 456 M C -0.640 175.667 176.300 0.012 0.000 1.181 456 M CA -1.058 54.470 55.300 0.380 0.000 0.910 456 M CB 2.595 35.382 32.600 0.312 0.000 1.723 456 M HN 0.933 nan 8.290 nan 0.000 0.459 457 A N 1.326 123.980 122.820 -0.277 0.000 2.539 457 A HA 0.730 5.050 4.320 0.001 0.000 0.296 457 A C -1.555 175.774 177.584 -0.424 0.000 1.073 457 A CA -0.599 51.051 52.037 -0.645 0.000 0.700 457 A CB 2.079 20.169 19.000 -1.517 0.000 1.296 457 A HN 0.765 nan 8.150 nan 0.000 0.405 458 E N 1.684 121.614 120.200 -0.449 0.000 2.176 458 E HA 0.414 4.764 4.350 0.001 0.000 0.267 458 E C -1.533 174.977 176.600 -0.149 0.000 0.893 458 E CA -0.250 55.994 56.400 -0.260 0.000 0.761 458 E CB 1.502 30.940 29.700 -0.437 0.000 1.133 458 E HN 0.581 nan 8.360 nan 0.000 0.409 459 E N 3.502 123.696 120.200 -0.010 0.000 2.409 459 E HA 0.102 4.453 4.350 0.001 0.000 0.259 459 E C 0.462 177.132 176.600 0.116 0.000 0.932 459 E CA -0.068 56.350 56.400 0.031 0.000 0.809 459 E CB 1.237 30.957 29.700 0.033 0.000 1.341 459 E HN 0.599 nan 8.360 nan 0.000 0.405 460 S N 2.149 117.914 115.700 0.108 0.000 2.374 460 S HA -0.158 4.313 4.470 0.001 0.000 0.227 460 S C 1.355 176.030 174.600 0.125 0.000 1.037 460 S CA 1.691 59.966 58.200 0.126 0.000 1.024 460 S CB -0.745 62.515 63.200 0.101 0.000 0.861 460 S HN 0.603 nan 8.310 nan 0.000 0.456 461 T N -0.300 114.335 114.554 0.136 0.000 2.753 461 T HA 0.241 4.592 4.350 0.001 0.000 0.309 461 T C -0.063 174.741 174.700 0.172 0.000 1.043 461 T CA -0.320 61.855 62.100 0.125 0.000 0.964 461 T CB 0.196 69.139 68.868 0.124 0.000 1.206 461 T HN 0.146 nan 8.240 nan 0.000 0.528 462 D N 0.481 120.977 120.400 0.160 0.000 3.035 462 D HA 0.219 4.860 4.640 0.001 0.000 0.290 462 D C -0.696 175.718 176.300 0.189 0.000 1.360 462 D CA -0.281 53.812 54.000 0.155 0.000 0.862 462 D CB -0.387 40.463 40.800 0.083 0.000 1.078 462 D HN 0.469 nan 8.370 nan 0.000 0.487 463 F N 3.637 123.668 119.950 0.134 0.000 2.578 463 F HA 0.130 4.657 4.527 0.001 0.000 0.381 463 F C -1.768 174.087 175.800 0.091 0.000 1.069 463 F CA -1.409 56.676 58.000 0.142 0.000 1.231 463 F CB 0.648 39.749 39.000 0.169 0.000 1.086 463 F HN -0.020 nan 8.300 nan 0.000 0.564 464 P HA 0.218 nan 4.420 nan 0.000 0.276 464 P C 0.187 177.358 177.300 -0.214 0.000 1.253 464 P CA 0.501 63.425 63.100 -0.293 0.000 0.766 464 P CB 1.041 32.555 31.700 -0.310 0.000 0.845 465 G N 2.267 111.049 108.800 -0.030 0.000 2.134 465 G HA2 -0.256 3.705 3.960 0.001 0.000 0.209 465 G HA3 -0.256 3.705 3.960 0.001 0.000 0.209 465 G C 0.705 175.684 174.900 0.131 0.000 0.993 465 G CA -0.045 45.066 45.100 0.019 0.000 0.669 465 G HN 0.339 nan 8.290 nan 0.000 0.519 466 V N 1.143 121.175 119.914 0.196 0.000 2.282 466 V HA -0.182 3.938 4.120 0.001 0.000 0.249 466 V C 2.566 178.793 176.094 0.221 0.000 1.057 466 V CA 3.042 65.491 62.300 0.248 0.000 1.032 466 V CB -0.325 31.585 31.823 0.146 0.000 0.645 466 V HN 1.299 nan 8.190 nan 0.000 0.447 467 S N -0.840 114.884 115.700 0.040 0.000 2.561 467 S HA 0.311 4.781 4.470 0.001 0.000 0.245 467 S C 0.386 174.879 174.600 -0.178 0.000 1.001 467 S CA -0.589 57.582 58.200 -0.048 0.000 1.002 467 S CB 0.094 63.186 63.200 -0.179 0.000 0.805 467 S HN 0.334 nan 8.310 nan 0.000 0.458 468 R N 2.115 122.544 120.500 -0.119 0.000 2.832 468 R HA 0.600 4.940 4.340 0.001 0.000 0.271 468 R C -3.099 173.111 176.300 -0.151 0.000 0.996 468 R CA -2.668 53.335 56.100 -0.162 0.000 0.977 468 R CB 0.222 30.452 30.300 -0.118 0.000 1.168 468 R HN 0.143 nan 8.270 nan 0.000 0.482 469 P HA -0.003 nan 4.420 nan 0.000 0.265 469 P C -0.144 177.098 177.300 -0.097 0.000 1.187 469 P CA 0.122 63.130 63.100 -0.155 0.000 0.766 469 P CB 0.703 32.315 31.700 -0.147 0.000 0.820 470 Q N 1.742 121.486 119.800 -0.092 0.000 2.061 470 Q HA -0.181 4.160 4.340 0.001 0.000 0.204 470 Q C 1.445 177.419 176.000 -0.044 0.000 0.984 470 Q CA 1.999 57.766 55.803 -0.059 0.000 0.846 470 Q CB -0.684 28.013 28.738 -0.068 0.000 0.902 470 Q HN 0.491 nan 8.270 nan 0.000 0.421 471 D N -0.806 119.564 120.400 -0.051 0.000 2.311 471 D HA -0.114 4.526 4.640 0.001 0.000 0.212 471 D C 1.116 177.394 176.300 -0.037 0.000 0.972 471 D CA 0.944 54.920 54.000 -0.040 0.000 0.887 471 D CB 0.114 40.889 40.800 -0.042 0.000 0.915 471 D HN 0.351 nan 8.370 nan 0.000 0.497 472 M N -2.716 116.857 119.600 -0.045 0.000 2.292 472 M HA 0.408 4.888 4.480 0.001 0.000 0.286 472 M C 1.320 177.597 176.300 -0.039 0.000 1.002 472 M CA 0.281 55.555 55.300 -0.043 0.000 1.029 472 M CB 1.577 34.145 32.600 -0.055 0.000 1.537 472 M HN 0.042 nan 8.290 nan 0.000 0.543 473 G N 0.063 108.845 108.800 -0.030 0.000 4.073 473 G HA2 0.382 4.342 3.960 0.001 0.000 0.183 473 G HA3 0.382 4.342 3.960 0.001 0.000 0.183 473 G C 0.345 175.260 174.900 0.025 0.000 0.873 473 G CA 0.329 45.417 45.100 -0.020 0.000 0.937 473 G HN 0.770 nan 8.290 nan 0.000 0.344 474 G N -1.280 107.535 108.800 0.025 0.000 2.355 474 G HA2 0.413 4.373 3.960 0.001 0.000 0.619 474 G HA3 0.413 4.373 3.960 0.001 0.000 0.619 474 G C 0.371 175.321 174.900 0.083 0.000 1.337 474 G CA -0.169 44.970 45.100 0.064 0.000 0.993 474 G HN 1.359 nan 8.290 nan 0.000 0.599 475 L N -0.911 120.345 121.223 0.055 0.000 3.159 475 L HA -0.185 4.155 4.340 0.001 0.000 0.370 475 L C 2.812 179.581 176.870 -0.169 0.000 1.458 475 L CA 3.818 58.676 54.840 0.029 0.000 3.093 475 L CB -1.502 40.745 42.059 0.314 0.000 1.152 475 L HN 3.114 nan 8.230 nan 0.000 0.779 476 G N -1.575 107.165 108.800 -0.101 0.000 2.166 476 G HA2 -0.343 3.618 3.960 0.001 0.000 0.260 476 G HA3 -0.343 3.618 3.960 0.001 0.000 0.260 476 G C 0.290 175.038 174.900 -0.253 0.000 0.986 476 G CA 0.342 45.315 45.100 -0.211 0.000 0.683 476 G HN 0.371 nan 8.290 nan 0.000 0.527 477 F N -1.585 118.332 119.950 -0.055 0.000 2.535 477 F HA 0.426 4.954 4.527 0.001 0.000 0.332 477 F C 1.504 177.267 175.800 -0.062 0.000 1.208 477 F CA 0.172 58.207 58.000 0.058 0.000 1.330 477 F CB 0.375 39.430 39.000 0.092 0.000 1.167 477 F HN 0.060 nan 8.300 nan 0.000 0.597 478 W N -0.453 120.979 121.300 0.220 0.000 2.996 478 W HA 0.188 4.849 4.660 0.001 0.000 0.270 478 W C -0.624 175.755 176.519 -0.233 0.000 1.280 478 W CA 0.050 57.407 57.345 0.019 0.000 1.549 478 W CB -0.151 29.300 29.460 -0.014 0.000 1.079 478 W HN 0.185 nan 8.180 nan 0.000 0.629 479 Y N -0.553 119.970 120.300 0.372 0.000 2.655 479 Y HA 0.432 4.983 4.550 0.001 0.000 0.336 479 Y C -0.327 175.648 175.900 0.126 0.000 1.154 479 Y CA -2.051 56.171 58.100 0.203 0.000 1.055 479 Y CB 1.612 40.233 38.460 0.268 0.000 1.295 479 Y HN -0.479 nan 8.280 nan 0.000 0.465 480 K N 0.712 121.288 120.400 0.293 0.000 2.498 480 K HA 0.377 4.697 4.320 0.001 0.000 0.254 480 K C -1.917 174.991 176.600 0.513 0.000 0.933 480 K CA -0.619 55.811 56.287 0.239 0.000 0.806 480 K CB 1.311 33.860 32.500 0.081 0.000 1.301 480 K HN 0.575 nan 8.250 nan 0.000 0.432 481 W N 2.211 123.629 121.300 0.197 0.000 2.190 481 W HA 0.199 4.860 4.660 0.001 0.000 0.330 481 W C 0.558 177.268 176.519 0.318 0.000 1.299 481 W CA -0.367 57.096 57.345 0.196 0.000 1.215 481 W CB 0.460 29.973 29.460 0.088 0.000 1.147 481 W HN 0.462 nan 8.180 nan 0.000 0.563 482 N N 3.825 122.749 118.700 0.373 0.000 2.767 482 N HA 0.142 4.882 4.740 0.001 0.000 0.238 482 N C 0.867 176.474 175.510 0.162 0.000 1.083 482 N CA 0.038 53.172 53.050 0.140 0.000 0.964 482 N CB 0.249 38.548 38.487 -0.314 0.000 1.252 482 N HN 0.390 nan 8.380 nan 0.000 0.512 483 L N 1.140 122.486 121.223 0.204 0.000 2.109 483 L HA 0.045 4.385 4.340 0.001 0.000 0.207 483 L C 2.318 179.254 176.870 0.110 0.000 1.086 483 L CA 1.043 55.947 54.840 0.106 0.000 0.760 483 L CB -0.360 41.813 42.059 0.191 0.000 0.910 483 L HN 0.484 nan 8.230 nan 0.000 0.437 484 G N -0.333 108.589 108.800 0.203 0.000 2.469 484 G HA2 -0.335 3.625 3.960 0.001 0.000 0.219 484 G HA3 -0.335 3.625 3.960 0.001 0.000 0.219 484 G C 1.266 176.308 174.900 0.236 0.000 1.150 484 G CA 0.740 45.977 45.100 0.227 0.000 0.763 484 G HN 0.481 nan 8.290 nan 0.000 0.561 485 W N 0.652 121.990 121.300 0.062 0.000 2.354 485 W HA -0.090 4.571 4.660 0.001 0.000 0.315 485 W C 2.562 179.061 176.519 -0.034 0.000 1.206 485 W CA 2.118 59.458 57.345 -0.010 0.000 1.290 485 W CB -0.188 29.183 29.460 -0.147 0.000 1.152 485 W HN 0.154 nan 8.180 nan 0.000 0.489 486 M N 0.266 119.941 119.600 0.125 0.000 2.073 486 M HA -0.306 4.174 4.480 0.001 0.000 0.258 486 M C 1.910 178.057 176.300 -0.256 0.000 1.070 486 M CA 2.521 57.760 55.300 -0.102 0.000 1.103 486 M CB -1.441 31.110 32.600 -0.082 0.000 1.321 486 M HN 0.241 nan 8.290 nan 0.000 0.405 487 H N 0.152 119.182 119.070 -0.067 0.000 2.293 487 H HA -0.149 4.408 4.556 0.001 0.000 0.300 487 H C 1.846 177.072 175.328 -0.171 0.000 1.082 487 H CA 1.774 57.764 56.048 -0.097 0.000 1.308 487 H CB -0.126 29.608 29.762 -0.048 0.000 1.375 487 H HN 0.458 nan 8.280 nan 0.000 0.495 488 D N -0.111 120.255 120.400 -0.057 0.000 2.087 488 D HA -0.160 4.481 4.640 0.001 0.000 0.192 488 D C 2.394 178.525 176.300 -0.280 0.000 0.993 488 D CA 2.215 56.129 54.000 -0.144 0.000 0.828 488 D CB -0.794 39.945 40.800 -0.101 0.000 0.968 488 D HN 0.515 nan 8.370 nan 0.000 0.448 489 T N -0.242 114.004 114.554 -0.514 0.000 2.759 489 T HA -0.141 4.209 4.350 0.001 0.000 0.269 489 T C 2.027 176.383 174.700 -0.574 0.000 1.042 489 T CA 0.598 62.306 62.100 -0.654 0.000 1.140 489 T CB -0.317 67.943 68.868 -1.013 0.000 0.864 489 T HN -0.047 nan 8.240 nan 0.000 0.455 490 L N 1.739 122.699 121.223 -0.437 0.000 2.109 490 L HA 0.083 4.423 4.340 0.001 0.000 0.207 490 L C 2.280 178.986 176.870 -0.272 0.000 1.086 490 L CA 1.422 56.053 54.840 -0.347 0.000 0.760 490 L CB -1.173 40.778 42.059 -0.179 0.000 0.910 490 L HN 0.193 nan 8.230 nan 0.000 0.437 491 D N -1.723 118.551 120.400 -0.210 0.000 2.117 491 D HA -0.259 4.382 4.640 0.001 0.000 0.197 491 D C 2.084 178.243 176.300 -0.234 0.000 0.987 491 D CA 1.168 55.052 54.000 -0.194 0.000 0.829 491 D CB -0.190 40.512 40.800 -0.165 0.000 0.961 491 D HN 0.321 nan 8.370 nan 0.000 0.460 492 Y N 0.905 120.981 120.300 -0.374 0.000 2.097 492 Y HA -0.237 4.314 4.550 0.001 0.000 0.282 492 Y C 2.172 177.821 175.900 -0.418 0.000 1.152 492 Y CA 1.573 59.433 58.100 -0.399 0.000 1.136 492 Y CB -0.138 38.019 38.460 -0.504 0.000 0.975 492 Y HN -0.141 nan 8.280 nan 0.000 0.498 493 M N 0.380 119.758 119.600 -0.370 0.000 2.279 493 M HA -0.183 4.298 4.480 0.001 0.000 0.264 493 M C 1.789 177.889 176.300 -0.334 0.000 1.062 493 M CA 1.511 56.557 55.300 -0.423 0.000 1.099 493 M CB -0.905 31.350 32.600 -0.574 0.000 1.394 493 M HN 0.296 nan 8.290 nan 0.000 0.426 494 K N 0.144 120.369 120.400 -0.293 0.000 2.217 494 K HA 0.073 4.394 4.320 0.001 0.000 0.202 494 K C 0.624 177.102 176.600 -0.203 0.000 1.051 494 K CA 0.249 56.404 56.287 -0.219 0.000 0.952 494 K CB -0.101 32.287 32.500 -0.186 0.000 0.736 494 K HN 0.284 nan 8.250 nan 0.000 0.453 495 L N 2.367 123.433 121.223 -0.262 0.000 2.490 495 L HA -0.022 4.318 4.340 0.001 0.000 0.274 495 L C 0.718 177.516 176.870 -0.121 0.000 1.201 495 L CA -0.174 54.551 54.840 -0.191 0.000 0.869 495 L CB 0.162 42.060 42.059 -0.268 0.000 1.123 495 L HN 0.181 nan 8.230 nan 0.000 0.484 496 D N 4.392 124.822 120.400 0.050 0.000 2.443 496 D HA 0.008 4.648 4.640 0.001 0.000 0.239 496 D C -1.717 174.551 176.300 -0.052 0.000 1.136 496 D CA -1.270 52.745 54.000 0.024 0.000 0.879 496 D CB 1.710 42.575 40.800 0.108 0.000 1.195 496 D HN 0.255 nan 8.370 nan 0.000 0.443 497 P HA -0.183 nan 4.420 nan 0.000 0.217 497 P C 1.383 178.617 177.300 -0.109 0.000 1.148 497 P CA 1.159 64.205 63.100 -0.091 0.000 0.834 497 P CB 0.049 31.724 31.700 -0.042 0.000 0.783 498 V N -5.212 114.581 119.914 -0.203 0.000 3.078 498 V HA -0.138 3.982 4.120 0.001 0.000 0.265 498 V C 1.179 177.092 176.094 -0.301 0.000 1.122 498 V CA 1.521 63.639 62.300 -0.303 0.000 1.141 498 V CB -1.771 29.773 31.823 -0.466 0.000 0.735 498 V HN 0.087 nan 8.190 nan 0.000 0.498 499 Y N -0.486 119.872 120.300 0.096 0.000 2.481 499 Y HA 0.469 5.019 4.550 0.001 0.000 0.247 499 Y C 2.345 178.404 175.900 0.265 0.000 1.151 499 Y CA -0.472 57.769 58.100 0.235 0.000 1.238 499 Y CB -0.039 38.495 38.460 0.123 0.000 1.179 499 Y HN 0.113 nan 8.280 nan 0.000 0.524 500 R N 1.190 121.773 120.500 0.139 0.000 2.092 500 R HA -0.171 4.170 4.340 0.001 0.000 0.231 500 R C 2.278 178.657 176.300 0.131 0.000 1.119 500 R CA 1.703 57.800 56.100 -0.004 0.000 0.970 500 R CB -0.233 29.935 30.300 -0.219 0.000 0.864 500 R HN 0.553 nan 8.270 nan 0.000 0.440 501 Q N -1.025 118.782 119.800 0.012 0.000 2.297 501 Q HA -0.220 4.120 4.340 0.001 0.000 0.208 501 Q C 0.696 176.561 176.000 -0.225 0.000 0.981 501 Q CA 1.644 57.359 55.803 -0.146 0.000 0.876 501 Q CB -0.292 28.210 28.738 -0.392 0.000 0.921 501 Q HN 0.492 nan 8.270 nan 0.000 0.446 502 Y N -0.373 119.897 120.300 -0.050 0.000 2.466 502 Y HA 0.140 4.690 4.550 0.001 0.000 0.272 502 Y C 0.741 176.322 175.900 -0.533 0.000 1.169 502 Y CA 0.199 58.136 58.100 -0.271 0.000 1.285 502 Y CB 0.497 38.748 38.460 -0.347 0.000 1.078 502 Y HN 0.263 nan 8.280 nan 0.000 0.523 503 H N -1.768 117.440 119.070 0.231 0.000 2.637 503 H HA 0.111 4.668 4.556 0.001 0.000 0.245 503 H C 1.113 176.590 175.328 0.248 0.000 1.190 503 H CA -0.102 56.063 56.048 0.195 0.000 0.934 503 H CB -0.143 29.703 29.762 0.140 0.000 1.950 503 H HN 0.480 nan 8.280 nan 0.000 0.614 504 H N 1.974 121.145 119.070 0.168 0.000 2.460 504 H HA -0.117 4.440 4.556 0.001 0.000 0.297 504 H C 1.383 176.721 175.328 0.017 0.000 1.103 504 H CA 1.780 57.877 56.048 0.082 0.000 1.292 504 H CB 0.465 30.239 29.762 0.020 0.000 1.376 504 H HN 0.540 nan 8.280 nan 0.000 0.531 505 D N 0.400 120.880 120.400 0.133 0.000 2.312 505 D HA -0.120 4.521 4.640 0.001 0.000 0.211 505 D C 1.589 177.941 176.300 0.087 0.000 0.964 505 D CA 0.468 54.541 54.000 0.123 0.000 0.877 505 D CB -0.295 40.587 40.800 0.137 0.000 0.924 505 D HN 0.323 nan 8.370 nan 0.000 0.515 506 K N -0.621 119.787 120.400 0.014 0.000 2.362 506 K HA -0.013 4.307 4.320 0.001 0.000 0.200 506 K C 1.492 177.977 176.600 -0.191 0.000 1.046 506 K CA 0.258 56.511 56.287 -0.057 0.000 0.952 506 K CB 0.291 32.778 32.500 -0.022 0.000 0.753 506 K HN 0.096 nan 8.250 nan 0.000 0.466 507 L N -0.459 120.586 121.223 -0.296 0.000 2.500 507 L HA -0.019 4.321 4.340 0.001 0.000 0.219 507 L C 2.280 179.293 176.870 0.239 0.000 1.057 507 L CA 1.325 55.984 54.840 -0.302 0.000 0.854 507 L CB -0.055 41.471 42.059 -0.888 0.000 1.078 507 L HN 0.153 nan 8.230 nan 0.000 0.480 508 T N -4.083 110.606 114.554 0.225 0.000 3.035 508 T HA -0.124 4.226 4.350 0.001 0.000 0.259 508 T C 1.910 176.939 174.700 0.548 0.000 1.078 508 T CA 0.514 62.907 62.100 0.489 0.000 1.132 508 T CB -0.749 68.201 68.868 0.138 0.000 0.900 508 T HN 0.123 nan 8.240 nan 0.000 0.480 509 F N 2.779 122.884 119.950 0.259 0.000 2.202 509 F HA 0.079 4.607 4.527 0.001 0.000 0.301 509 F C 2.405 178.342 175.800 0.228 0.000 1.082 509 F CA 1.122 59.275 58.000 0.256 0.000 1.313 509 F CB -0.689 38.445 39.000 0.223 0.000 1.024 509 F HN 0.269 nan 8.300 nan 0.000 0.495 510 G N 1.238 110.194 108.800 0.259 0.000 2.505 510 G HA2 -0.315 3.645 3.960 0.001 0.000 0.220 510 G HA3 -0.315 3.645 3.960 0.001 0.000 0.220 510 G C 1.591 176.260 174.900 -0.384 0.000 1.145 510 G CA 1.272 46.350 45.100 -0.036 0.000 0.761 510 G HN 0.371 nan 8.290 nan 0.000 0.571 511 I N 1.121 121.619 120.570 -0.120 0.000 2.286 511 I HA -0.097 4.074 4.170 0.001 0.000 0.248 511 I C 2.808 178.771 176.117 -0.258 0.000 1.115 511 I CA 0.728 61.795 61.300 -0.388 0.000 1.392 511 I CB -1.134 36.682 38.000 -0.306 0.000 1.065 511 I HN 0.206 nan 8.210 nan 0.000 0.418 512 L N 0.037 121.139 121.223 -0.202 0.000 2.187 512 L HA -0.224 4.116 4.340 0.001 0.000 0.213 512 L C 2.149 178.975 176.870 -0.072 0.000 1.100 512 L CA 1.526 56.294 54.840 -0.120 0.000 0.765 512 L CB -0.757 41.193 42.059 -0.182 0.000 0.904 512 L HN 0.423 nan 8.230 nan 0.000 0.437 513 Y N -3.966 116.227 120.300 -0.178 0.000 2.588 513 Y HA 0.265 4.815 4.550 0.001 0.000 0.247 513 Y C 1.711 177.663 175.900 0.086 0.000 1.157 513 Y CA -0.623 57.463 58.100 -0.024 0.000 1.215 513 Y CB -1.063 37.386 38.460 -0.018 0.000 1.245 513 Y HN 0.005 nan 8.280 nan 0.000 0.534 514 N N 0.776 119.222 118.700 -0.423 0.000 2.513 514 N HA -0.213 4.527 4.740 0.001 0.000 0.187 514 N C 0.015 175.206 175.510 -0.532 0.000 1.056 514 N CA 1.268 54.044 53.050 -0.458 0.000 0.907 514 N CB -0.147 37.796 38.487 -0.905 0.000 0.954 514 N HN 0.578 nan 8.380 nan 0.000 0.445 515 Y N -0.477 119.842 120.300 0.031 0.000 2.467 515 Y HA 0.154 4.705 4.550 0.001 0.000 0.250 515 Y C 2.174 178.066 175.900 -0.013 0.000 1.155 515 Y CA 0.448 58.551 58.100 0.005 0.000 1.249 515 Y CB 0.244 38.690 38.460 -0.023 0.000 1.146 515 Y HN 0.109 nan 8.280 nan 0.000 0.524 516 T N -3.150 111.465 114.554 0.102 0.000 3.067 516 T HA 0.143 4.494 4.350 0.001 0.000 0.257 516 T C 0.386 175.016 174.700 -0.117 0.000 1.105 516 T CA 0.447 62.576 62.100 0.048 0.000 1.104 516 T CB 0.348 69.304 68.868 0.147 0.000 0.925 516 T HN -0.041 nan 8.240 nan 0.000 0.498 517 E N 1.113 121.121 120.200 -0.319 0.000 2.392 517 E HA 0.359 4.710 4.350 0.001 0.000 0.279 517 E C -1.695 174.424 176.600 -0.801 0.000 0.964 517 E CA -0.702 55.297 56.400 -0.669 0.000 0.777 517 E CB 1.546 30.589 29.700 -1.095 0.000 1.249 517 E HN 0.066 nan 8.360 nan 0.000 0.449 518 N N 1.357 119.616 118.700 -0.734 0.000 2.521 518 N HA 0.281 5.022 4.740 0.001 0.000 0.236 518 N C -0.916 174.466 175.510 -0.213 0.000 1.067 518 N CA -0.001 52.586 53.050 -0.771 0.000 0.939 518 N CB 0.013 37.604 38.487 -1.494 0.000 1.201 518 N HN 0.174 nan 8.380 nan 0.000 0.511 519 F N 0.309 120.414 119.950 0.259 0.000 2.370 519 F HA 0.464 4.991 4.527 0.001 0.000 0.319 519 F C 0.753 176.677 175.800 0.206 0.000 1.129 519 F CA -0.810 57.322 58.000 0.220 0.000 1.109 519 F CB 0.830 39.881 39.000 0.085 0.000 1.262 519 F HN -0.024 nan 8.300 nan 0.000 0.534 520 V N 3.087 123.202 119.914 0.335 0.000 2.483 520 V HA 0.268 4.389 4.120 0.001 0.000 0.297 520 V C -0.328 175.648 176.094 -0.196 0.000 1.027 520 V CA -0.865 61.446 62.300 0.019 0.000 0.855 520 V CB 1.625 33.471 31.823 0.038 0.000 0.995 520 V HN 0.482 nan 8.190 nan 0.000 0.424 521 L N 8.182 129.135 121.223 -0.450 0.000 2.325 521 L HA 0.410 4.751 4.340 0.001 0.000 0.284 521 L C -2.278 174.266 176.870 -0.543 0.000 1.089 521 L CA -1.118 53.293 54.840 -0.716 0.000 0.836 521 L CB 1.042 42.323 42.059 -1.297 0.000 1.184 521 L HN 0.422 nan 8.230 nan 0.000 0.444 522 P HA 0.307 nan 4.420 nan 0.000 0.307 522 P C -1.126 176.011 177.300 -0.270 0.000 1.412 522 P CA -0.706 62.070 63.100 -0.540 0.000 0.985 522 P CB 2.709 33.708 31.700 -1.169 0.000 1.098 523 L N 2.878 123.970 121.223 -0.219 0.000 2.435 523 L HA 0.313 4.654 4.340 0.001 0.000 0.253 523 L C 0.817 177.609 176.870 -0.130 0.000 1.087 523 L CA -0.019 54.780 54.840 -0.068 0.000 0.950 523 L CB 0.166 42.266 42.059 0.069 0.000 1.304 523 L HN 0.457 nan 8.230 nan 0.000 0.453 524 S N 0.026 115.565 115.700 -0.268 0.000 2.719 524 S HA 0.311 4.781 4.470 0.001 0.000 0.285 524 S C 1.404 175.682 174.600 -0.535 0.000 1.137 524 S CA 0.113 58.100 58.200 -0.355 0.000 1.012 524 S CB 0.658 63.570 63.200 -0.480 0.000 1.134 524 S HN 0.720 nan 8.310 nan 0.000 0.544 525 H N -0.858 117.637 119.070 -0.957 0.000 2.489 525 H HA 0.114 4.671 4.556 0.001 0.000 0.293 525 H C 0.776 175.668 175.328 -0.726 0.000 1.066 525 H CA 1.642 56.679 56.048 -1.686 0.000 1.305 525 H CB -0.553 27.782 29.762 -2.377 0.000 1.386 525 H HN 0.539 nan 8.280 nan 0.000 0.551 526 D N 0.302 120.271 120.400 -0.718 0.000 2.363 526 D HA -0.057 4.584 4.640 0.001 0.000 0.220 526 D C 1.038 177.262 176.300 -0.126 0.000 0.994 526 D CA 0.500 54.342 54.000 -0.262 0.000 0.890 526 D CB 0.142 40.824 40.800 -0.196 0.000 0.906 526 D HN 0.551 nan 8.370 nan 0.000 0.530 527 E N -0.178 119.926 120.200 -0.160 0.000 2.476 527 E HA 0.033 4.383 4.350 0.001 0.000 0.199 527 E C 1.249 177.837 176.600 -0.020 0.000 1.021 527 E CA 0.157 56.520 56.400 -0.061 0.000 0.907 527 E CB 0.885 30.547 29.700 -0.064 0.000 0.974 527 E HN 0.168 nan 8.360 nan 0.000 0.489 528 V N -1.018 118.881 119.914 -0.024 0.000 2.887 528 V HA 0.383 4.503 4.120 0.001 0.000 0.370 528 V C 0.361 176.516 176.094 0.103 0.000 1.322 528 V CA -0.644 61.695 62.300 0.064 0.000 1.267 528 V CB -0.337 31.567 31.823 0.135 0.000 1.344 528 V HN -0.080 nan 8.190 nan 0.000 0.573 529 V N -4.379 115.550 119.914 0.025 0.000 3.182 529 V HA 0.659 4.779 4.120 0.001 0.000 0.308 529 V C 0.483 176.557 176.094 -0.034 0.000 1.240 529 V CA -0.748 61.531 62.300 -0.035 0.000 1.063 529 V CB 1.506 33.224 31.823 -0.174 0.000 1.076 529 V HN 0.492 nan 8.190 nan 0.000 0.446 530 H N 0.431 119.609 119.070 0.180 0.000 2.731 530 H HA -0.172 4.385 4.556 0.001 0.000 0.305 530 H C 1.428 176.808 175.328 0.085 0.000 1.132 530 H CA 1.747 57.871 56.048 0.127 0.000 1.148 530 H CB -1.668 28.174 29.762 0.132 0.000 1.379 530 H HN 2.325 nan 8.280 nan 0.000 0.398 531 G N -0.911 107.984 108.800 0.160 0.000 2.176 531 G HA2 -0.353 3.607 3.960 0.001 0.000 0.232 531 G HA3 -0.353 3.607 3.960 0.001 0.000 0.232 531 G C 1.149 176.093 174.900 0.074 0.000 0.986 531 G CA 0.411 45.571 45.100 0.101 0.000 0.643 531 G HN 0.511 nan 8.290 nan 0.000 0.522 532 K N 0.704 121.151 120.400 0.079 0.000 2.504 532 K HA 0.182 4.503 4.320 0.001 0.000 0.195 532 K C 1.086 177.706 176.600 0.033 0.000 1.036 532 K CA 0.888 57.206 56.287 0.052 0.000 0.984 532 K CB -0.064 32.468 32.500 0.054 0.000 0.788 532 K HN 0.616 nan 8.250 nan 0.000 0.488 533 K N -0.436 119.988 120.400 0.040 0.000 1.004 533 K HA -0.168 4.153 4.320 0.001 0.000 0.819 533 K C -0.199 176.419 176.600 0.031 0.000 2.144 533 K CA 0.702 57.006 56.287 0.028 0.000 1.464 533 K CB -1.099 31.402 32.500 0.003 0.000 2.730 533 K HN 0.322 nan 8.250 nan 0.000 0.209 534 S N -0.268 115.444 115.700 0.020 0.000 2.652 534 S HA 0.391 4.862 4.470 0.001 0.000 0.270 534 S C 1.493 176.092 174.600 -0.002 0.000 1.243 534 S CA -0.916 57.297 58.200 0.022 0.000 0.999 534 S CB 0.796 64.000 63.200 0.007 0.000 0.973 534 S HN 0.449 nan 8.310 nan 0.000 0.544 535 I N 0.586 121.169 120.570 0.021 0.000 2.264 535 I HA -0.114 4.057 4.170 0.001 0.000 0.248 535 I C 2.247 178.326 176.117 -0.063 0.000 1.111 535 I CA 1.113 62.429 61.300 0.027 0.000 1.382 535 I CB -1.629 36.451 38.000 0.134 0.000 1.060 535 I HN 0.689 nan 8.210 nan 0.000 0.418 536 L N 1.218 122.372 121.223 -0.115 0.000 2.046 536 L HA -0.180 4.160 4.340 0.001 0.000 0.208 536 L C 1.837 178.572 176.870 -0.225 0.000 1.077 536 L CA 1.974 56.666 54.840 -0.248 0.000 0.747 536 L CB -0.810 41.057 42.059 -0.319 0.000 0.896 536 L HN 0.075 nan 8.230 nan 0.000 0.432 537 D N -0.710 119.608 120.400 -0.137 0.000 2.310 537 D HA -0.094 4.546 4.640 0.001 0.000 0.212 537 D C 2.195 178.434 176.300 -0.102 0.000 0.965 537 D CA 0.654 54.590 54.000 -0.106 0.000 0.879 537 D CB 0.075 40.843 40.800 -0.053 0.000 0.921 537 D HN 0.331 nan 8.370 nan 0.000 0.510 538 R N -0.592 119.845 120.500 -0.106 0.000 2.189 538 R HA 0.066 4.406 4.340 0.001 0.000 0.218 538 R C 0.555 176.772 176.300 -0.138 0.000 1.074 538 R CA 0.336 56.371 56.100 -0.109 0.000 0.991 538 R CB 0.057 30.293 30.300 -0.108 0.000 0.883 538 R HN 0.119 nan 8.270 nan 0.000 0.457 539 M N 2.003 121.505 119.600 -0.164 0.000 2.248 539 M HA 0.142 4.622 4.480 0.001 0.000 0.337 539 M C -1.989 174.227 176.300 -0.139 0.000 1.121 539 M CA -2.475 52.720 55.300 -0.174 0.000 1.155 539 M CB -0.055 32.413 32.600 -0.221 0.000 1.514 539 M HN -0.067 nan 8.290 nan 0.000 0.452 540 P HA 0.637 nan 4.420 nan 0.000 0.283 540 P C 0.001 177.267 177.300 -0.058 0.000 1.278 540 P CA 0.023 63.076 63.100 -0.078 0.000 0.834 540 P CB 1.523 33.181 31.700 -0.070 0.000 1.150 541 G N 1.063 109.847 108.800 -0.027 0.000 2.627 541 G HA2 -0.080 3.881 3.960 0.001 0.000 0.214 541 G HA3 -0.080 3.881 3.960 0.001 0.000 0.214 541 G C -1.012 173.892 174.900 0.007 0.000 1.331 541 G CA -0.011 45.090 45.100 0.002 0.000 0.891 541 G HN 0.847 nan 8.290 nan 0.000 0.539 542 D N -0.185 120.243 120.400 0.046 0.000 2.432 542 D HA 0.704 5.344 4.640 0.001 0.000 0.258 542 D C 1.721 178.037 176.300 0.027 0.000 1.146 542 D CA 0.785 54.818 54.000 0.056 0.000 1.015 542 D CB 0.583 41.442 40.800 0.099 0.000 1.107 542 D HN 1.449 nan 8.370 nan 0.000 0.529 543 A N 0.197 123.028 122.820 0.019 0.000 1.923 543 A HA -0.267 4.053 4.320 0.001 0.000 0.222 543 A C 1.957 179.328 177.584 -0.355 0.000 1.258 543 A CA 2.443 54.402 52.037 -0.131 0.000 0.670 543 A CB -1.792 17.204 19.000 -0.007 0.000 0.834 543 A HN 0.826 nan 8.150 nan 0.000 0.470 544 W N 0.247 121.354 121.300 -0.321 0.000 2.333 544 W HA -0.231 4.430 4.660 0.001 0.000 0.316 544 W C 2.578 178.990 176.519 -0.178 0.000 1.215 544 W CA 2.245 59.426 57.345 -0.274 0.000 1.278 544 W CB -0.405 29.080 29.460 0.042 0.000 1.154 544 W HN 0.498 nan 8.180 nan 0.000 0.486 545 Q N 0.034 119.961 119.800 0.213 0.000 2.135 545 Q HA -0.239 4.102 4.340 0.001 0.000 0.204 545 Q C 2.102 178.002 176.000 -0.166 0.000 0.981 545 Q CA 1.936 57.789 55.803 0.082 0.000 0.856 545 Q CB -0.302 28.543 28.738 0.179 0.000 0.902 545 Q HN 0.356 nan 8.270 nan 0.000 0.425 546 K N -0.150 120.124 120.400 -0.210 0.000 2.057 546 K HA -0.138 4.182 4.320 0.001 0.000 0.207 546 K C 1.752 178.083 176.600 -0.449 0.000 1.049 546 K CA 1.312 57.409 56.287 -0.316 0.000 0.931 546 K CB -0.117 32.162 32.500 -0.370 0.000 0.714 546 K HN 0.126 nan 8.250 nan 0.000 0.440 547 F N 0.832 120.428 119.950 -0.590 0.000 2.206 547 F HA -0.077 4.450 4.527 0.001 0.000 0.298 547 F C 2.478 177.935 175.800 -0.572 0.000 1.090 547 F CA 0.859 58.492 58.000 -0.612 0.000 1.323 547 F CB -0.455 38.038 39.000 -0.845 0.000 1.028 547 F HN 0.019 nan 8.300 nan 0.000 0.492 548 A N 0.622 123.113 122.820 -0.548 0.000 1.859 548 A HA -0.249 4.071 4.320 0.001 0.000 0.217 548 A C 2.238 179.646 177.584 -0.292 0.000 1.198 548 A CA 2.119 53.806 52.037 -0.584 0.000 0.629 548 A CB -1.063 17.437 19.000 -0.833 0.000 0.830 548 A HN 0.363 nan 8.150 nan 0.000 0.446 549 N N -0.332 118.237 118.700 -0.218 0.000 2.021 549 N HA -0.202 4.538 4.740 0.001 0.000 0.198 549 N C 1.692 177.150 175.510 -0.086 0.000 1.041 549 N CA 1.873 54.865 53.050 -0.095 0.000 0.862 549 N CB -0.584 37.841 38.487 -0.104 0.000 1.048 549 N HN 0.381 nan 8.380 nan 0.000 0.427 550 L N 2.163 123.256 121.223 -0.217 0.000 2.043 550 L HA -0.164 4.176 4.340 0.001 0.000 0.212 550 L C 2.323 178.926 176.870 -0.445 0.000 1.075 550 L CA 1.572 56.213 54.840 -0.332 0.000 0.752 550 L CB -0.409 41.372 42.059 -0.463 0.000 0.891 550 L HN 0.108 nan 8.230 nan 0.000 0.432 551 R N -0.768 119.543 120.500 -0.314 0.000 2.062 551 R HA -0.082 4.259 4.340 0.001 0.000 0.231 551 R C 2.255 178.499 176.300 -0.094 0.000 1.136 551 R CA 1.327 57.274 56.100 -0.255 0.000 0.948 551 R CB -0.848 29.312 30.300 -0.233 0.000 0.845 551 R HN 0.499 nan 8.270 nan 0.000 0.430 552 A N 0.867 123.658 122.820 -0.049 0.000 1.917 552 A HA -0.260 4.061 4.320 0.001 0.000 0.219 552 A C 2.038 179.807 177.584 0.309 0.000 1.182 552 A CA 1.494 53.541 52.037 0.017 0.000 0.633 552 A CB -0.962 17.960 19.000 -0.130 0.000 0.819 552 A HN 0.560 nan 8.150 nan 0.000 0.448 553 Y N -1.516 118.924 120.300 0.233 0.000 2.181 553 Y HA -0.294 4.256 4.550 0.001 0.000 0.288 553 Y C 2.362 178.619 175.900 0.594 0.000 1.146 553 Y CA 1.720 60.062 58.100 0.403 0.000 1.164 553 Y CB -0.210 38.357 38.460 0.178 0.000 0.982 553 Y HN 0.384 nan 8.280 nan 0.000 0.515 554 Y N 0.200 120.610 120.300 0.184 0.000 2.181 554 Y HA -0.112 4.439 4.550 0.001 0.000 0.288 554 Y C 2.701 178.780 175.900 0.298 0.000 1.146 554 Y CA 0.809 58.991 58.100 0.136 0.000 1.164 554 Y CB -1.421 36.959 38.460 -0.133 0.000 0.982 554 Y HN 0.228 nan 8.280 nan 0.000 0.515 555 G N -0.733 108.274 108.800 0.346 0.000 2.450 555 G HA2 -0.273 3.687 3.960 0.001 0.000 0.220 555 G HA3 -0.273 3.687 3.960 0.001 0.000 0.220 555 G C 1.642 176.984 174.900 0.737 0.000 1.130 555 G CA 0.684 45.971 45.100 0.312 0.000 0.760 555 G HN 0.571 nan 8.290 nan 0.000 0.557 556 W N 0.531 122.153 121.300 0.537 0.000 2.453 556 W HA 0.092 4.752 4.660 0.001 0.000 0.289 556 W C 2.189 179.082 176.519 0.623 0.000 1.215 556 W CA 0.967 58.688 57.345 0.626 0.000 1.297 556 W CB -0.137 29.742 29.460 0.698 0.000 1.113 556 W HN 0.298 nan 8.180 nan 0.000 0.551 557 M N -0.125 119.911 119.600 0.728 0.000 2.132 557 M HA -0.206 4.275 4.480 0.001 0.000 0.263 557 M C 2.012 178.399 176.300 0.145 0.000 1.065 557 M CA 2.066 57.622 55.300 0.427 0.000 1.122 557 M CB -0.859 31.960 32.600 0.366 0.000 1.365 557 M HN -0.023 nan 8.290 nan 0.000 0.411 558 W N -0.039 121.333 121.300 0.120 0.000 2.937 558 W HA 0.066 4.726 4.660 0.001 0.000 0.245 558 W C 1.837 178.404 176.519 0.081 0.000 1.306 558 W CA 0.765 58.133 57.345 0.039 0.000 1.470 558 W CB 0.048 29.633 29.460 0.209 0.000 1.132 558 W HN 0.458 nan 8.180 nan 0.000 0.675 559 A N -0.982 122.009 122.820 0.287 0.000 2.108 559 A HA 0.075 4.395 4.320 0.001 0.000 0.206 559 A C 0.353 177.917 177.584 -0.033 0.000 1.212 559 A CA -0.248 51.765 52.037 -0.040 0.000 0.843 559 A CB -0.638 18.301 19.000 -0.102 0.000 0.902 559 A HN 0.008 nan 8.150 nan 0.000 0.477 560 F N 1.538 121.322 119.950 -0.276 0.000 2.518 560 F HA 0.361 4.888 4.527 0.001 0.000 0.359 560 F C -2.246 173.194 175.800 -0.600 0.000 1.118 560 F CA -1.966 55.682 58.000 -0.587 0.000 1.287 560 F CB 0.556 39.184 39.000 -0.621 0.000 1.132 560 F HN -0.025 nan 8.300 nan 0.000 0.587 561 P HA 0.273 nan 4.420 nan 0.000 0.264 561 P C -0.545 176.417 177.300 -0.563 0.000 1.183 561 P CA 0.840 63.430 63.100 -0.851 0.000 0.763 561 P CB 0.294 31.311 31.700 -1.138 0.000 0.807 562 G N 1.254 109.777 108.800 -0.463 0.000 2.484 562 G HA2 0.007 3.968 3.960 0.001 0.000 0.685 562 G HA3 0.007 3.968 3.960 0.001 0.000 0.685 562 G C -1.250 173.520 174.900 -0.217 0.000 1.294 562 G CA -0.976 43.987 45.100 -0.229 0.000 0.879 562 G HN 0.310 nan 8.290 nan 0.000 0.646 563 K N 0.141 120.506 120.400 -0.060 0.000 2.120 563 K HA 0.629 4.949 4.320 0.001 0.000 0.245 563 K C 0.166 176.531 176.600 -0.391 0.000 1.024 563 K CA -0.213 55.989 56.287 -0.141 0.000 0.906 563 K CB 0.799 33.257 32.500 -0.069 0.000 1.051 563 K HN 0.496 nan 8.250 nan 0.000 0.491 564 K N 0.511 120.616 120.400 -0.493 0.000 2.259 564 K HA 0.554 4.875 4.320 0.001 0.000 0.252 564 K C -0.784 175.557 176.600 -0.431 0.000 0.936 564 K CA -0.498 55.375 56.287 -0.690 0.000 0.810 564 K CB 1.581 33.308 32.500 -1.290 0.000 1.143 564 K HN 0.463 nan 8.250 nan 0.000 0.427 565 L N 3.119 124.092 121.223 -0.417 0.000 2.470 565 L HA 0.594 4.934 4.340 0.001 0.000 0.268 565 L C -1.961 174.812 176.870 -0.163 0.000 0.964 565 L CA -1.087 53.618 54.840 -0.224 0.000 0.839 565 L CB 1.317 43.191 42.059 -0.308 0.000 1.276 565 L HN 0.576 nan 8.230 nan 0.000 0.403 566 L N 4.789 126.046 121.223 0.056 0.000 2.406 566 L HA 0.517 4.858 4.340 0.001 0.000 0.272 566 L C -0.976 175.959 176.870 0.108 0.000 0.980 566 L CA -0.155 54.763 54.840 0.131 0.000 0.831 566 L CB 1.645 43.915 42.059 0.351 0.000 1.253 566 L HN 0.554 nan 8.230 nan 0.000 0.406 567 F N 5.956 125.835 119.950 -0.117 0.000 2.471 567 F HA 0.364 4.891 4.527 0.001 0.000 0.353 567 F C 0.745 176.411 175.800 -0.224 0.000 1.113 567 F CA -0.715 57.144 58.000 -0.234 0.000 1.262 567 F CB 0.708 39.554 39.000 -0.256 0.000 1.146 567 F HN 0.628 nan 8.300 nan 0.000 0.578 568 M N 4.244 123.090 119.600 -1.256 0.000 2.234 568 M HA 0.284 4.765 4.480 0.001 0.000 0.326 568 M C 1.038 176.904 176.300 -0.723 0.000 1.077 568 M CA 0.955 55.766 55.300 -0.815 0.000 1.052 568 M CB -0.611 31.596 32.600 -0.654 0.000 1.607 568 M HN 1.007 nan 8.290 nan 0.000 0.445 569 G N 2.118 110.606 108.800 -0.520 0.000 2.299 569 G HA2 -0.316 3.644 3.960 0.001 0.000 0.237 569 G HA3 -0.316 3.644 3.960 0.001 0.000 0.237 569 G C 0.696 175.138 174.900 -0.763 0.000 1.027 569 G CA 0.567 45.119 45.100 -0.914 0.000 0.619 569 G HN 0.885 nan 8.290 nan 0.000 0.513 570 N N 1.002 119.527 118.700 -0.293 0.000 2.270 570 N HA -0.020 4.721 4.740 0.001 0.000 0.181 570 N C 2.036 177.583 175.510 0.061 0.000 1.016 570 N CA 1.051 54.080 53.050 -0.035 0.000 0.870 570 N CB -0.165 38.396 38.487 0.123 0.000 0.979 570 N HN 0.680 nan 8.380 nan 0.000 0.431 571 E N 1.673 121.929 120.200 0.093 0.000 2.338 571 E HA -0.186 4.165 4.350 0.001 0.000 0.197 571 E C 0.566 177.357 176.600 0.319 0.000 1.007 571 E CA 1.027 57.589 56.400 0.269 0.000 0.849 571 E CB -0.320 29.662 29.700 0.471 0.000 0.774 571 E HN 0.629 nan 8.360 nan 0.000 0.506 572 F N -1.363 118.717 119.950 0.216 0.000 2.764 572 F HA 0.744 5.271 4.527 0.001 0.000 0.310 572 F C 0.415 176.391 175.800 0.294 0.000 1.124 572 F CA -0.781 57.348 58.000 0.215 0.000 1.252 572 F CB 0.155 39.230 39.000 0.126 0.000 1.010 572 F HN 0.035 nan 8.300 nan 0.000 0.518 573 A N 1.410 124.306 122.820 0.127 0.000 2.303 573 A HA -0.302 4.018 4.320 0.001 0.000 0.286 573 A C 0.415 178.103 177.584 0.173 0.000 1.429 573 A CA 1.009 53.104 52.037 0.096 0.000 0.738 573 A CB -2.179 16.861 19.000 0.066 0.000 1.149 573 A HN 0.841 nan 8.150 nan 0.000 0.364 574 Q N 0.339 120.063 119.800 -0.126 0.000 2.313 574 Q HA 0.433 4.773 4.340 0.001 0.000 0.266 574 Q C 1.385 177.389 176.000 0.008 0.000 0.989 574 Q CA 0.594 56.348 55.803 -0.082 0.000 0.890 574 Q CB 0.732 29.306 28.738 -0.273 0.000 1.200 574 Q HN 0.965 nan 8.270 nan 0.000 0.396 575 G N 4.521 113.361 108.800 0.067 0.000 2.394 575 G HA2 -0.086 3.875 3.960 0.001 0.000 0.215 575 G HA3 -0.086 3.875 3.960 0.001 0.000 0.215 575 G C 0.385 175.309 174.900 0.040 0.000 1.165 575 G CA -0.065 45.069 45.100 0.056 0.000 0.784 575 G HN 0.554 nan 8.290 nan 0.000 0.535 576 R N 0.858 121.389 120.500 0.053 0.000 2.615 576 R HA 0.311 4.652 4.340 0.001 0.000 0.270 576 R C 0.054 176.402 176.300 0.080 0.000 1.081 576 R CA -0.323 55.816 56.100 0.065 0.000 1.154 576 R CB 0.840 31.187 30.300 0.079 0.000 1.063 576 R HN 0.320 nan 8.270 nan 0.000 0.519 577 E N 0.650 120.904 120.200 0.091 0.000 2.416 577 E HA -0.104 4.246 4.350 0.001 0.000 0.254 577 E C -0.671 176.052 176.600 0.205 0.000 1.241 577 E CA -0.024 56.455 56.400 0.131 0.000 0.969 577 E CB 0.385 30.149 29.700 0.106 0.000 0.999 577 E HN 0.385 nan 8.360 nan 0.000 0.481 578 W N 2.360 123.703 121.300 0.071 0.000 2.311 578 W HA 0.127 4.788 4.660 0.001 0.000 0.310 578 W C -0.550 176.031 176.519 0.103 0.000 1.274 578 W CA -0.417 57.001 57.345 0.121 0.000 1.215 578 W CB 0.082 29.680 29.460 0.231 0.000 1.227 578 W HN 0.303 nan 8.180 nan 0.000 0.523 579 N N 3.936 122.416 118.700 -0.366 0.000 2.446 579 N HA 0.065 4.805 4.740 0.001 0.000 0.265 579 N C 0.804 175.901 175.510 -0.688 0.000 0.975 579 N CA -0.494 52.239 53.050 -0.527 0.000 0.928 579 N CB 0.676 39.038 38.487 -0.208 0.000 1.160 579 N HN 0.723 nan 8.380 nan 0.000 0.495 580 H N 1.481 120.086 119.070 -0.776 0.000 2.524 580 H HA 0.105 4.661 4.556 0.001 0.000 0.282 580 H C 0.146 175.573 175.328 0.165 0.000 1.016 580 H CA 0.679 56.535 56.048 -0.320 0.000 1.270 580 H CB 0.265 29.846 29.762 -0.301 0.000 1.394 580 H HN 0.457 nan 8.280 nan 0.000 0.568 581 D N 0.324 120.568 120.400 -0.261 0.000 2.342 581 D HA 0.399 5.040 4.640 0.001 0.000 0.221 581 D C 0.199 176.523 176.300 0.040 0.000 1.101 581 D CA 0.526 54.520 54.000 -0.010 0.000 0.837 581 D CB 0.434 41.155 40.800 -0.132 0.000 0.938 581 D HN 0.587 nan 8.370 nan 0.000 0.508 582 A N -0.301 122.567 122.820 0.079 0.000 2.583 582 A HA 0.605 4.926 4.320 0.001 0.000 0.289 582 A C 0.214 177.921 177.584 0.204 0.000 1.151 582 A CA -0.488 51.614 52.037 0.108 0.000 0.695 582 A CB 1.071 20.104 19.000 0.053 0.000 1.290 582 A HN 0.053 nan 8.150 nan 0.000 0.419 583 S N -0.766 115.053 115.700 0.198 0.000 2.625 583 S HA 0.457 4.928 4.470 0.001 0.000 0.262 583 S C 1.050 175.788 174.600 0.230 0.000 1.223 583 S CA -0.086 58.264 58.200 0.250 0.000 0.993 583 S CB -0.092 63.242 63.200 0.223 0.000 1.051 583 S HN 0.641 nan 8.310 nan 0.000 0.562 584 L N 0.040 121.381 121.223 0.197 0.000 2.044 584 L HA 0.070 4.410 4.340 0.001 0.000 0.205 584 L C 0.134 176.976 176.870 -0.047 0.000 1.075 584 L CA 1.303 56.140 54.840 -0.005 0.000 0.747 584 L CB -0.560 41.293 42.059 -0.344 0.000 0.903 584 L HN 0.737 nan 8.230 nan 0.000 0.435 585 D N -3.650 116.698 120.400 -0.086 0.000 3.994 585 D HA -0.091 4.549 4.640 0.001 0.000 0.116 585 D C -0.040 176.040 176.300 -0.367 0.000 0.521 585 D CA 0.067 54.029 54.000 -0.064 0.000 0.691 585 D CB -1.533 39.213 40.800 -0.090 0.000 1.438 585 D HN 0.173 nan 8.370 nan 0.000 0.255 586 W N 0.833 121.977 121.300 -0.260 0.000 2.848 586 W HA -0.027 4.634 4.660 0.001 0.000 0.241 586 W C 2.380 178.696 176.519 -0.338 0.000 1.289 586 W CA 0.833 57.889 57.345 -0.482 0.000 1.396 586 W CB -0.580 28.617 29.460 -0.438 0.000 1.138 586 W HN 0.446 nan 8.180 nan 0.000 0.677 587 H N -0.687 118.382 119.070 -0.002 0.000 2.545 587 H HA -0.038 4.519 4.556 0.001 0.000 0.282 587 H C 1.522 176.813 175.328 -0.061 0.000 1.020 587 H CA 1.002 57.040 56.048 -0.016 0.000 1.243 587 H CB -0.698 29.062 29.762 -0.003 0.000 1.377 587 H HN 0.269 nan 8.280 nan 0.000 0.581 588 L N 0.683 121.594 121.223 -0.520 0.000 2.291 588 L HA -0.018 4.322 4.340 0.001 0.000 0.214 588 L C 1.928 178.615 176.870 -0.305 0.000 1.120 588 L CA 0.489 55.057 54.840 -0.453 0.000 0.799 588 L CB -0.062 41.557 42.059 -0.732 0.000 0.925 588 L HN 0.204 nan 8.230 nan 0.000 0.446 589 L N -1.072 119.982 121.223 -0.282 0.000 2.628 589 L HA 0.177 4.517 4.340 0.001 0.000 0.229 589 L C 0.475 177.411 176.870 0.111 0.000 1.137 589 L CA -0.119 54.558 54.840 -0.271 0.000 0.909 589 L CB -0.113 41.818 42.059 -0.214 0.000 1.137 589 L HN 0.155 nan 8.230 nan 0.000 0.470 590 E N 0.819 121.064 120.200 0.076 0.000 2.313 590 E HA 0.422 4.772 4.350 0.001 0.000 0.272 590 E C 0.427 177.106 176.600 0.132 0.000 1.038 590 E CA -0.094 56.370 56.400 0.108 0.000 0.863 590 E CB 1.123 30.868 29.700 0.076 0.000 1.060 590 E HN 0.186 nan 8.360 nan 0.000 0.402 591 G N 1.442 110.302 108.800 0.099 0.000 3.490 591 G HA2 -0.031 3.929 3.960 0.001 0.000 0.646 591 G HA3 -0.031 3.929 3.960 0.001 0.000 0.646 591 G C 0.465 175.416 174.900 0.085 0.000 1.058 591 G CA -0.270 44.872 45.100 0.071 0.000 1.199 591 G HN 1.000 nan 8.290 nan 0.000 0.569 592 G N 1.550 110.369 108.800 0.031 0.000 2.880 592 G HA2 0.164 4.124 3.960 0.001 0.000 0.220 592 G HA3 0.164 4.124 3.960 0.001 0.000 0.220 592 G C 0.116 175.028 174.900 0.020 0.000 0.486 592 G CA 0.948 46.053 45.100 0.008 0.000 0.914 592 G HN 1.813 nan 8.290 nan 0.000 0.427 593 D N 1.272 121.627 120.400 -0.074 0.000 2.531 593 D HA 0.356 4.997 4.640 0.001 0.000 0.239 593 D C 0.980 177.315 176.300 0.058 0.000 1.144 593 D CA 1.118 55.054 54.000 -0.106 0.000 0.869 593 D CB 0.363 41.135 40.800 -0.047 0.000 1.160 593 D HN 0.871 nan 8.370 nan 0.000 0.484 594 N N 1.677 120.531 118.700 0.256 0.000 3.229 594 N HA 0.315 5.056 4.740 0.001 0.000 0.315 594 N C 0.350 175.578 175.510 -0.471 0.000 1.520 594 N CA -0.893 51.972 53.050 -0.308 0.000 0.769 594 N CB -0.003 38.401 38.487 -0.139 0.000 1.766 594 N HN 0.240 nan 8.380 nan 0.000 0.618 595 W N 0.054 120.934 121.300 -0.700 0.000 2.342 595 W HA -0.106 4.554 4.660 0.001 0.000 0.297 595 W C 1.741 177.954 176.519 -0.511 0.000 1.213 595 W CA 1.265 58.047 57.345 -0.939 0.000 1.251 595 W CB -1.038 27.130 29.460 -2.153 0.000 1.136 595 W HN 0.600 nan 8.180 nan 0.000 0.526 596 H N -1.615 117.501 119.070 0.077 0.000 2.389 596 H HA -0.112 4.445 4.556 0.001 0.000 0.299 596 H C 2.033 177.447 175.328 0.143 0.000 1.081 596 H CA 1.525 57.696 56.048 0.206 0.000 1.345 596 H CB -0.471 29.361 29.762 0.118 0.000 1.393 596 H HN 0.245 nan 8.280 nan 0.000 0.520 597 H N -0.133 119.083 119.070 0.243 0.000 2.357 597 H HA -0.058 4.498 4.556 0.001 0.000 0.301 597 H C 2.544 178.001 175.328 0.215 0.000 1.082 597 H CA 1.045 57.221 56.048 0.212 0.000 1.342 597 H CB -0.553 29.303 29.762 0.158 0.000 1.389 597 H HN 0.414 nan 8.280 nan 0.000 0.511 598 G N 0.806 109.823 108.800 0.362 0.000 2.491 598 G HA2 -0.248 3.712 3.960 0.001 0.000 0.218 598 G HA3 -0.248 3.712 3.960 0.001 0.000 0.218 598 G C 1.941 177.007 174.900 0.276 0.000 1.180 598 G CA 1.532 46.851 45.100 0.364 0.000 0.774 598 G HN 0.298 nan 8.290 nan 0.000 0.562 599 V N 0.617 120.668 119.914 0.230 0.000 2.407 599 V HA -0.220 3.900 4.120 0.001 0.000 0.248 599 V C 2.723 178.923 176.094 0.177 0.000 1.055 599 V CA 2.249 64.650 62.300 0.168 0.000 1.049 599 V CB -0.424 31.538 31.823 0.231 0.000 0.662 599 V HN 0.546 nan 8.190 nan 0.000 0.455 600 Q N -0.086 119.874 119.800 0.266 0.000 2.123 600 Q HA -0.213 4.127 4.340 0.001 0.000 0.199 600 Q C 2.413 178.525 176.000 0.186 0.000 0.966 600 Q CA 1.478 57.453 55.803 0.287 0.000 0.845 600 Q CB 0.015 28.992 28.738 0.398 0.000 0.907 600 Q HN 0.511 nan 8.270 nan 0.000 0.439 601 R N -0.151 120.458 120.500 0.182 0.000 2.092 601 R HA -0.118 4.223 4.340 0.001 0.000 0.231 601 R C 2.246 178.618 176.300 0.120 0.000 1.119 601 R CA 1.083 57.269 56.100 0.144 0.000 0.970 601 R CB -0.222 30.085 30.300 0.011 0.000 0.864 601 R HN 0.280 nan 8.270 nan 0.000 0.440 602 L N -0.059 121.143 121.223 -0.036 0.000 2.093 602 L HA -0.093 4.248 4.340 0.001 0.000 0.208 602 L C 1.804 178.429 176.870 -0.408 0.000 1.085 602 L CA 1.508 56.070 54.840 -0.463 0.000 0.755 602 L CB -0.251 41.291 42.059 -0.861 0.000 0.904 602 L HN -0.035 nan 8.230 nan 0.000 0.435 603 V N -0.018 119.706 119.914 -0.317 0.000 2.407 603 V HA -0.268 3.852 4.120 0.001 0.000 0.248 603 V C 2.773 178.571 176.094 -0.494 0.000 1.055 603 V CA 2.042 64.032 62.300 -0.516 0.000 1.049 603 V CB -0.743 30.896 31.823 -0.307 0.000 0.662 603 V HN 0.528 nan 8.190 nan 0.000 0.455 604 R N 0.173 120.500 120.500 -0.289 0.000 2.062 604 R HA -0.159 4.181 4.340 0.001 0.000 0.231 604 R C 2.052 178.205 176.300 -0.246 0.000 1.136 604 R CA 1.988 57.918 56.100 -0.283 0.000 0.948 604 R CB -0.360 29.823 30.300 -0.196 0.000 0.845 604 R HN 0.431 nan 8.270 nan 0.000 0.430 605 D N 0.473 120.780 120.400 -0.155 0.000 2.182 605 D HA -0.152 4.489 4.640 0.001 0.000 0.201 605 D C 1.719 177.917 176.300 -0.170 0.000 0.986 605 D CA 0.765 54.712 54.000 -0.089 0.000 0.847 605 D CB -0.030 40.820 40.800 0.083 0.000 0.942 605 D HN 0.163 nan 8.370 nan 0.000 0.467 606 L N 0.790 121.799 121.223 -0.356 0.000 2.109 606 L HA -0.025 4.315 4.340 0.001 0.000 0.207 606 L C 1.779 178.549 176.870 -0.167 0.000 1.086 606 L CA 1.278 55.826 54.840 -0.487 0.000 0.760 606 L CB -0.445 40.975 42.059 -1.066 0.000 0.910 606 L HN -0.048 nan 8.230 nan 0.000 0.437 607 N N -0.749 117.831 118.700 -0.201 0.000 2.216 607 N HA -0.071 4.669 4.740 0.001 0.000 0.183 607 N C 1.857 177.463 175.510 0.160 0.000 1.017 607 N CA 1.121 54.227 53.050 0.093 0.000 0.861 607 N CB -0.094 38.284 38.487 -0.181 0.000 0.986 607 N HN 0.315 nan 8.380 nan 0.000 0.428 608 L N 0.388 121.624 121.223 0.021 0.000 2.156 608 L HA -0.050 4.290 4.340 0.001 0.000 0.208 608 L C 2.008 178.961 176.870 0.138 0.000 1.095 608 L CA 0.912 55.765 54.840 0.022 0.000 0.770 608 L CB -0.481 41.524 42.059 -0.090 0.000 0.914 608 L HN 0.114 nan 8.230 nan 0.000 0.439 609 T N -1.417 113.276 114.554 0.231 0.000 2.851 609 T HA -0.186 4.165 4.350 0.001 0.000 0.262 609 T C 1.708 176.778 174.700 0.616 0.000 1.043 609 T CA 0.915 63.273 62.100 0.429 0.000 1.140 609 T CB -0.352 68.763 68.868 0.412 0.000 0.872 609 T HN 0.276 nan 8.240 nan 0.000 0.446 610 Y N 2.970 123.585 120.300 0.525 0.000 2.165 610 Y HA -0.049 4.502 4.550 0.001 0.000 0.286 610 Y C 0.996 177.157 175.900 0.434 0.000 1.155 610 Y CA 0.829 59.236 58.100 0.512 0.000 1.164 610 Y CB -0.309 38.491 38.460 0.567 0.000 0.978 610 Y HN 0.030 nan 8.280 nan 0.000 0.513 611 R N -0.827 119.771 120.500 0.164 0.000 2.577 611 R HA 0.264 4.604 4.340 0.001 0.000 0.269 611 R C 0.369 176.795 176.300 0.211 0.000 1.084 611 R CA 0.434 56.523 56.100 -0.019 0.000 1.163 611 R CB 0.548 30.840 30.300 -0.012 0.000 1.100 611 R HN 0.568 nan 8.270 nan 0.000 0.547 612 H N -0.787 118.303 119.070 0.035 0.000 4.728 612 H HA -0.221 4.335 4.556 0.001 0.000 0.066 612 H C -0.548 174.719 175.328 -0.101 0.000 0.615 612 H CA 1.506 57.517 56.048 -0.060 0.000 0.929 612 H CB -0.997 28.682 29.762 -0.137 0.000 0.417 612 H HN 0.674 nan 8.280 nan 0.000 0.807 613 H N 2.741 121.876 119.070 0.109 0.000 3.004 613 H HA 0.142 4.698 4.556 0.001 0.000 0.267 613 H C 1.076 176.295 175.328 -0.181 0.000 1.165 613 H CA 0.451 56.485 56.048 -0.024 0.000 1.450 613 H CB 1.161 30.985 29.762 0.104 0.000 1.488 613 H HN 0.353 nan 8.280 nan 0.000 0.478 614 K N 2.804 123.089 120.400 -0.191 0.000 2.113 614 K HA -0.164 4.156 4.320 0.001 0.000 0.208 614 K C 2.094 178.421 176.600 -0.455 0.000 1.047 614 K CA 1.288 57.315 56.287 -0.434 0.000 0.928 614 K CB -0.106 32.262 32.500 -0.221 0.000 0.716 614 K HN 0.613 nan 8.250 nan 0.000 0.446 615 A N 0.385 123.075 122.820 -0.217 0.000 2.024 615 A HA -0.155 4.165 4.320 0.001 0.000 0.220 615 A C 1.716 179.179 177.584 -0.202 0.000 1.164 615 A CA 1.478 53.413 52.037 -0.171 0.000 0.643 615 A CB -0.404 18.538 19.000 -0.097 0.000 0.806 615 A HN 0.140 nan 8.150 nan 0.000 0.451 616 M N -0.641 118.830 119.600 -0.215 0.000 2.562 616 M HA 0.023 4.503 4.480 0.001 0.000 0.257 616 M C 1.134 177.441 176.300 0.012 0.000 1.099 616 M CA 1.541 56.785 55.300 -0.092 0.000 1.099 616 M CB -1.146 31.505 32.600 0.085 0.000 1.427 616 M HN 0.888 nan 8.290 nan 0.000 0.489 617 H N -4.057 114.965 119.070 -0.080 0.000 3.770 617 H HA 0.345 4.902 4.556 0.001 0.000 0.264 617 H C 1.250 176.535 175.328 -0.072 0.000 1.164 617 H CA -0.111 55.885 56.048 -0.086 0.000 1.158 617 H CB -0.462 29.106 29.762 -0.323 0.000 1.653 617 H HN 0.219 nan 8.280 nan 0.000 0.795 618 E N 0.769 120.817 120.200 -0.253 0.000 2.152 618 E HA 0.036 4.386 4.350 0.001 0.000 0.192 618 E C -0.048 176.556 176.600 0.008 0.000 0.983 618 E CA 0.709 57.071 56.400 -0.063 0.000 0.818 618 E CB 0.394 30.014 29.700 -0.134 0.000 0.758 618 E HN 0.256 nan 8.360 nan 0.000 0.467 619 L N 1.473 122.664 121.223 -0.053 0.000 2.725 619 L HA 0.159 4.499 4.340 0.001 0.000 0.270 619 L C -0.101 176.661 176.870 -0.179 0.000 1.422 619 L CA 0.066 54.885 54.840 -0.035 0.000 0.770 619 L CB 0.753 42.843 42.059 0.051 0.000 1.081 619 L HN -0.013 nan 8.230 nan 0.000 0.527 620 D N 0.369 120.497 120.400 -0.453 0.000 2.219 620 D HA -0.093 4.547 4.640 0.001 0.000 0.205 620 D C 1.356 177.151 176.300 -0.841 0.000 0.970 620 D CA 1.611 55.125 54.000 -0.810 0.000 0.851 620 D CB 0.286 40.320 40.800 -1.275 0.000 0.943 620 D HN 0.391 nan 8.370 nan 0.000 0.488 621 F N 0.007 119.937 119.950 -0.033 0.000 2.664 621 F HA 0.177 4.704 4.527 0.001 0.000 0.303 621 F C 0.681 176.606 175.800 0.209 0.000 1.092 621 F CA -0.556 57.440 58.000 -0.006 0.000 1.305 621 F CB 0.630 39.525 39.000 -0.175 0.000 1.054 621 F HN -0.314 nan 8.300 nan 0.000 0.565 622 D N 2.140 122.698 120.400 0.264 0.000 2.440 622 D HA 0.187 4.828 4.640 0.001 0.000 0.239 622 D C -1.768 174.604 176.300 0.121 0.000 1.084 622 D CA -2.534 51.562 54.000 0.159 0.000 0.843 622 D CB 2.130 42.998 40.800 0.114 0.000 1.097 622 D HN -0.154 nan 8.370 nan 0.000 0.531 623 P HA -0.240 nan 4.420 nan 0.000 0.218 623 P C 1.323 178.613 177.300 -0.018 0.000 1.147 623 P CA 0.962 63.886 63.100 -0.294 0.000 0.827 623 P CB -0.023 31.329 31.700 -0.580 0.000 0.778 624 Y N 1.228 121.471 120.300 -0.095 0.000 2.483 624 Y HA 0.004 4.554 4.550 0.001 0.000 0.291 624 Y C 2.337 178.206 175.900 -0.052 0.000 1.143 624 Y CA 1.532 59.593 58.100 -0.066 0.000 1.289 624 Y CB -0.747 37.680 38.460 -0.055 0.000 0.983 624 Y HN -0.074 nan 8.280 nan 0.000 0.556 625 G N -1.162 107.662 108.800 0.040 0.000 2.777 625 G HA2 -0.039 3.922 3.960 0.001 0.000 0.211 625 G HA3 -0.039 3.922 3.960 0.001 0.000 0.211 625 G C -0.405 174.445 174.900 -0.083 0.000 1.149 625 G CA -0.022 45.053 45.100 -0.040 0.000 0.785 625 G HN 0.309 nan 8.290 nan 0.000 0.536 626 F N -0.062 119.728 119.950 -0.267 0.000 2.581 626 F HA 0.662 5.189 4.527 0.001 0.000 0.311 626 F C -1.236 174.365 175.800 -0.331 0.000 1.113 626 F CA -1.293 56.482 58.000 -0.375 0.000 0.935 626 F CB 2.195 40.856 39.000 -0.565 0.000 1.232 626 F HN -0.020 nan 8.300 nan 0.000 0.445 627 E N 5.406 124.865 120.200 -1.234 0.000 2.311 627 E HA 0.195 4.545 4.350 0.001 0.000 0.281 627 E C -1.885 174.200 176.600 -0.858 0.000 0.905 627 E CA -0.642 55.260 56.400 -0.830 0.000 0.778 627 E CB 1.133 30.614 29.700 -0.365 0.000 1.240 627 E HN 0.743 nan 8.360 nan 0.000 0.410 628 W N 4.775 125.747 121.300 -0.547 0.000 2.181 628 W HA 0.155 4.816 4.660 0.001 0.000 0.335 628 W C 1.040 177.495 176.519 -0.107 0.000 1.310 628 W CA -0.432 56.783 57.345 -0.217 0.000 1.226 628 W CB 0.707 30.182 29.460 0.024 0.000 1.155 628 W HN 0.569 nan 8.180 nan 0.000 0.565 629 L N 2.595 123.965 121.223 0.244 0.000 2.467 629 L HA 0.199 4.539 4.340 0.001 0.000 0.213 629 L C 0.099 176.975 176.870 0.010 0.000 1.053 629 L CA 0.363 55.260 54.840 0.094 0.000 0.847 629 L CB -0.049 42.036 42.059 0.043 0.000 1.075 629 L HN 0.115 nan 8.230 nan 0.000 0.479 630 V N 0.473 120.418 119.914 0.053 0.000 2.568 630 V HA 0.136 4.256 4.120 0.001 0.000 0.276 630 V C 0.252 176.381 176.094 0.057 0.000 1.002 630 V CA -0.095 62.198 62.300 -0.012 0.000 0.879 630 V CB 2.254 34.028 31.823 -0.082 0.000 1.040 630 V HN -0.074 nan 8.190 nan 0.000 0.457 631 V N 2.133 122.007 119.914 -0.065 0.000 3.621 631 V HA 0.270 4.390 4.120 0.001 0.000 0.285 631 V C 1.012 177.047 176.094 -0.099 0.000 1.346 631 V CA 1.058 63.143 62.300 -0.358 0.000 1.104 631 V CB 0.503 31.836 31.823 -0.817 0.000 0.913 631 V HN 0.864 nan 8.190 nan 0.000 0.432 632 D N -0.375 119.997 120.400 -0.047 0.000 2.469 632 D HA 0.096 4.736 4.640 0.001 0.000 0.213 632 D C 0.231 176.400 176.300 -0.218 0.000 1.135 632 D CA -0.056 53.863 54.000 -0.135 0.000 0.834 632 D CB 0.415 41.180 40.800 -0.059 0.000 1.009 632 D HN 0.334 nan 8.370 nan 0.000 0.507 633 D N 1.420 121.757 120.400 -0.105 0.000 2.600 633 D HA 0.026 4.667 4.640 0.001 0.000 0.226 633 D C 1.288 177.444 176.300 -0.240 0.000 1.119 633 D CA 0.120 54.089 54.000 -0.052 0.000 1.051 633 D CB 0.226 41.124 40.800 0.164 0.000 1.106 633 D HN 0.063 nan 8.370 nan 0.000 0.491 634 K N 0.792 120.897 120.400 -0.492 0.000 2.025 634 K HA -0.192 4.128 4.320 0.001 0.000 0.207 634 K C 1.683 178.180 176.600 -0.173 0.000 1.049 634 K CA 0.930 56.922 56.287 -0.491 0.000 0.933 634 K CB 0.126 32.382 32.500 -0.407 0.000 0.714 634 K HN 0.145 nan 8.250 nan 0.000 0.438 635 E N 1.544 121.652 120.200 -0.154 0.000 2.086 635 E HA -0.225 4.125 4.350 0.001 0.000 0.205 635 E C 1.463 178.039 176.600 -0.041 0.000 1.027 635 E CA 1.774 58.109 56.400 -0.109 0.000 0.830 635 E CB 0.028 29.684 29.700 -0.072 0.000 0.751 635 E HN 0.176 nan 8.360 nan 0.000 0.456 636 R N -0.624 119.889 120.500 0.021 0.000 2.334 636 R HA 0.251 4.591 4.340 0.001 0.000 0.216 636 R C 0.001 176.363 176.300 0.103 0.000 0.905 636 R CA 0.635 56.775 56.100 0.066 0.000 1.064 636 R CB 0.324 30.697 30.300 0.122 0.000 1.046 636 R HN 0.001 nan 8.270 nan 0.000 0.508 637 S N 0.346 116.135 115.700 0.150 0.000 3.559 637 S HA -0.106 4.364 4.470 0.001 0.000 0.369 637 S C -0.210 174.553 174.600 0.272 0.000 0.987 637 S CA 0.567 58.943 58.200 0.294 0.000 1.187 637 S CB -1.153 62.219 63.200 0.287 0.000 0.914 637 S HN 0.123 nan 8.310 nan 0.000 0.480 638 V N 1.866 121.901 119.914 0.201 0.000 2.357 638 V HA 0.575 4.695 4.120 0.001 0.000 0.284 638 V C -0.092 176.092 176.094 0.150 0.000 1.018 638 V CA -0.596 61.742 62.300 0.063 0.000 0.841 638 V CB 1.471 33.194 31.823 -0.167 0.000 0.991 638 V HN 0.339 nan 8.190 nan 0.000 0.437 639 L N 6.742 128.078 121.223 0.189 0.000 2.362 639 L HA 0.666 5.006 4.340 0.001 0.000 0.275 639 L C -0.455 176.598 176.870 0.304 0.000 0.998 639 L CA -0.073 54.969 54.840 0.337 0.000 0.820 639 L CB 1.767 44.148 42.059 0.536 0.000 1.270 639 L HN 0.429 nan 8.230 nan 0.000 0.415 640 I N 3.673 124.370 120.570 0.212 0.000 2.498 640 I HA 0.635 4.805 4.170 0.001 0.000 0.290 640 I C -0.839 175.391 176.117 0.187 0.000 1.032 640 I CA -0.575 60.697 61.300 -0.046 0.000 1.073 640 I CB 1.770 39.460 38.000 -0.517 0.000 1.251 640 I HN 0.553 nan 8.210 nan 0.000 0.426 641 F N 4.846 124.815 119.950 0.031 0.000 2.754 641 F HA 0.865 5.392 4.527 0.001 0.000 0.320 641 F C -1.697 173.951 175.800 -0.253 0.000 1.156 641 F CA -1.196 56.715 58.000 -0.149 0.000 0.950 641 F CB 1.106 39.903 39.000 -0.338 0.000 1.388 641 F HN 0.116 nan 8.300 nan 0.000 0.485 642 V N 1.412 121.329 119.914 0.005 0.000 2.962 642 V HA 0.707 4.828 4.120 0.001 0.000 0.313 642 V C -1.175 174.893 176.094 -0.044 0.000 1.099 642 V CA -0.771 61.488 62.300 -0.068 0.000 0.971 642 V CB 2.213 33.966 31.823 -0.118 0.000 1.028 642 V HN 0.773 nan 8.190 nan 0.000 0.430 643 R N 3.584 124.051 120.500 -0.054 0.000 2.494 643 R HA 0.570 4.910 4.340 0.001 0.000 0.305 643 R C -0.638 175.595 176.300 -0.112 0.000 0.959 643 R CA -0.611 55.439 56.100 -0.084 0.000 0.864 643 R CB 1.625 31.863 30.300 -0.102 0.000 1.159 643 R HN 0.699 nan 8.270 nan 0.000 0.446 644 R N 1.832 122.248 120.500 -0.140 0.000 2.534 644 R HA 0.209 4.549 4.340 0.001 0.000 0.301 644 R C -0.665 175.595 176.300 -0.067 0.000 0.961 644 R CA -0.589 55.427 56.100 -0.140 0.000 0.871 644 R CB 1.111 31.226 30.300 -0.307 0.000 1.170 644 R HN 0.664 nan 8.270 nan 0.000 0.446 645 D N 2.619 123.001 120.400 -0.031 0.000 2.423 645 D HA 0.096 4.736 4.640 0.001 0.000 0.255 645 D C 0.443 176.809 176.300 0.110 0.000 1.174 645 D CA -0.455 53.542 54.000 -0.005 0.000 1.008 645 D CB 0.846 41.615 40.800 -0.052 0.000 1.101 645 D HN 0.400 nan 8.370 nan 0.000 0.516 646 K N -0.603 119.844 120.400 0.078 0.000 2.074 646 K HA -0.189 4.131 4.320 0.001 0.000 0.209 646 K C 1.561 178.210 176.600 0.082 0.000 1.048 646 K CA 1.483 57.816 56.287 0.077 0.000 0.926 646 K CB -0.106 32.402 32.500 0.013 0.000 0.713 646 K HN 0.355 nan 8.250 nan 0.000 0.444 647 E N -0.824 119.406 120.200 0.051 0.000 2.265 647 E HA -0.085 4.265 4.350 0.001 0.000 0.196 647 E C 1.248 177.894 176.600 0.077 0.000 0.996 647 E CA 1.075 57.498 56.400 0.039 0.000 0.832 647 E CB 0.017 29.721 29.700 0.006 0.000 0.756 647 E HN 0.558 nan 8.360 nan 0.000 0.491 648 G N -0.095 108.777 108.800 0.122 0.000 2.192 648 G HA2 -0.233 3.728 3.960 0.001 0.000 0.193 648 G HA3 -0.233 3.728 3.960 0.001 0.000 0.193 648 G C -0.134 174.780 174.900 0.024 0.000 0.999 648 G CA -0.186 44.985 45.100 0.118 0.000 0.659 648 G HN 0.317 nan 8.290 nan 0.000 0.503 649 N N 1.727 120.431 118.700 0.005 0.000 2.513 649 N HA 0.478 5.219 4.740 0.001 0.000 0.268 649 N C -0.048 175.454 175.510 -0.014 0.000 1.180 649 N CA 0.448 53.487 53.050 -0.018 0.000 0.948 649 N CB 0.639 39.105 38.487 -0.034 0.000 1.083 649 N HN 0.573 nan 8.380 nan 0.000 0.455 650 E N 0.993 121.212 120.200 0.032 0.000 2.244 650 E HA 0.575 4.925 4.350 0.001 0.000 0.266 650 E C -0.775 175.942 176.600 0.195 0.000 0.914 650 E CA -1.010 55.435 56.400 0.075 0.000 0.794 650 E CB 1.978 31.742 29.700 0.107 0.000 1.210 650 E HN 0.509 nan 8.360 nan 0.000 0.414 651 I N -1.293 119.353 120.570 0.126 0.000 2.498 651 I HA 0.451 4.621 4.170 0.001 0.000 0.290 651 I C -0.982 175.174 176.117 0.064 0.000 1.032 651 I CA -0.706 60.709 61.300 0.193 0.000 1.073 651 I CB 1.168 39.164 38.000 -0.007 0.000 1.251 651 I HN 0.474 nan 8.210 nan 0.000 0.426 652 I N 6.277 126.895 120.570 0.080 0.000 2.395 652 I HA 0.397 4.567 4.170 0.001 0.000 0.289 652 I C -0.567 175.448 176.117 -0.171 0.000 1.023 652 I CA -0.813 60.405 61.300 -0.136 0.000 1.350 652 I CB 1.451 39.301 38.000 -0.249 0.000 1.409 652 I HN 0.385 nan 8.210 nan 0.000 0.507 653 V N 6.097 125.779 119.914 -0.386 0.000 2.407 653 V HA 0.655 4.776 4.120 0.001 0.000 0.291 653 V C 0.010 175.845 176.094 -0.431 0.000 1.018 653 V CA -0.470 61.550 62.300 -0.467 0.000 0.842 653 V CB 1.451 32.664 31.823 -1.016 0.000 0.996 653 V HN 0.837 nan 8.190 nan 0.000 0.426 654 A N 3.718 126.436 122.820 -0.170 0.000 2.343 654 A HA 0.851 5.171 4.320 0.001 0.000 0.308 654 A C -0.293 177.258 177.584 -0.054 0.000 1.092 654 A CA -0.429 51.504 52.037 -0.173 0.000 0.751 654 A CB 1.559 20.392 19.000 -0.279 0.000 1.203 654 A HN 0.652 nan 8.150 nan 0.000 0.452 655 S N 1.448 117.146 115.700 -0.003 0.000 2.482 655 S HA 0.471 4.942 4.470 0.001 0.000 0.303 655 S C -0.301 174.131 174.600 -0.280 0.000 1.091 655 S CA -0.705 57.407 58.200 -0.146 0.000 1.057 655 S CB 1.205 64.361 63.200 -0.073 0.000 1.031 655 S HN 0.769 nan 8.310 nan 0.000 0.485 656 N N 1.831 120.289 118.700 -0.403 0.000 2.479 656 N HA 0.346 5.086 4.740 0.001 0.000 0.261 656 N C -1.225 174.080 175.510 -0.341 0.000 0.979 656 N CA -0.386 52.502 53.050 -0.269 0.000 0.930 656 N CB 0.429 38.804 38.487 -0.187 0.000 1.172 656 N HN 0.477 nan 8.380 nan 0.000 0.499 657 F N 2.406 122.362 119.950 0.010 0.000 2.898 657 F HA 0.168 4.696 4.527 0.001 0.000 0.290 657 F C 0.712 176.511 175.800 -0.001 0.000 1.195 657 F CA -0.191 57.822 58.000 0.022 0.000 1.387 657 F CB 0.427 39.486 39.000 0.098 0.000 0.976 657 F HN 0.319 nan 8.300 nan 0.000 0.510 658 T N -3.901 110.714 114.554 0.102 0.000 2.843 658 T HA 0.302 4.653 4.350 0.001 0.000 0.302 658 T C -2.470 172.261 174.700 0.053 0.000 1.232 658 T CA -1.899 60.240 62.100 0.066 0.000 1.009 658 T CB 2.303 71.197 68.868 0.044 0.000 1.254 658 T HN -0.229 nan 8.240 nan 0.000 0.504 659 P HA 0.119 nan 4.420 nan 0.000 0.242 659 P C 0.265 177.588 177.300 0.039 0.000 1.197 659 P CA 0.020 63.167 63.100 0.079 0.000 0.765 659 P CB -0.170 31.578 31.700 0.081 0.000 0.936 660 V N 4.442 124.368 119.914 0.019 0.000 2.415 660 V HA 0.130 4.251 4.120 0.001 0.000 0.267 660 V C -1.833 174.244 176.094 -0.027 0.000 1.042 660 V CA -1.618 60.684 62.300 0.002 0.000 1.000 660 V CB 0.188 32.017 31.823 0.009 0.000 1.015 660 V HN 0.106 nan 8.190 nan 0.000 0.478 661 P HA 0.204 nan 4.420 nan 0.000 0.271 661 P C -0.614 176.521 177.300 -0.275 0.000 1.226 661 P CA -0.349 62.657 63.100 -0.155 0.000 0.765 661 P CB 0.735 32.354 31.700 -0.135 0.000 0.835 662 R N 3.264 123.608 120.500 -0.259 0.000 2.265 662 R HA 0.415 4.755 4.340 0.001 0.000 0.319 662 R C 0.379 176.538 176.300 -0.235 0.000 1.006 662 R CA -0.487 55.524 56.100 -0.148 0.000 0.880 662 R CB 0.336 30.642 30.300 0.009 0.000 1.077 662 R HN 0.607 nan 8.270 nan 0.000 0.454 663 H N 1.362 120.517 119.070 0.141 0.000 2.529 663 H HA 0.182 4.738 4.556 0.001 0.000 0.348 663 H C -0.058 175.355 175.328 0.141 0.000 1.152 663 H CA -0.531 55.592 56.048 0.124 0.000 1.202 663 H CB 1.520 31.332 29.762 0.083 0.000 1.562 663 H HN 0.488 nan 8.280 nan 0.000 0.515 664 D N 0.793 121.351 120.400 0.264 0.000 2.751 664 D HA -0.290 4.350 4.640 0.001 0.000 0.233 664 D C -0.324 176.082 176.300 0.177 0.000 1.149 664 D CA 0.740 54.846 54.000 0.177 0.000 0.682 664 D CB -1.658 39.215 40.800 0.120 0.000 1.068 664 D HN 0.475 nan 8.370 nan 0.000 0.429 665 Y N 1.397 121.781 120.300 0.139 0.000 2.585 665 Y HA 0.209 4.759 4.550 0.001 0.000 0.354 665 Y C 0.815 176.858 175.900 0.239 0.000 1.024 665 Y CA -0.400 57.800 58.100 0.167 0.000 1.321 665 Y CB 0.320 38.869 38.460 0.148 0.000 1.151 665 Y HN -0.054 nan 8.280 nan 0.000 0.525 666 R N 6.789 127.318 120.500 0.048 0.000 2.368 666 R HA 0.509 4.850 4.340 0.001 0.000 0.302 666 R C -1.585 174.900 176.300 0.308 0.000 1.002 666 R CA -0.432 55.736 56.100 0.115 0.000 0.929 666 R CB 0.556 30.860 30.300 0.006 0.000 1.073 666 R HN 0.651 nan 8.270 nan 0.000 0.464 667 F N 0.105 120.173 119.950 0.195 0.000 2.631 667 F HA 0.603 5.131 4.527 0.001 0.000 0.308 667 F C -0.366 175.546 175.800 0.186 0.000 1.097 667 F CA -1.250 56.891 58.000 0.236 0.000 0.952 667 F CB 0.914 39.912 39.000 -0.003 0.000 1.307 667 F HN 0.540 nan 8.300 nan 0.000 0.450 668 G N 1.768 110.799 108.800 0.386 0.000 2.467 668 G HA2 0.542 4.503 3.960 0.001 0.000 0.257 668 G HA3 0.542 4.503 3.960 0.001 0.000 0.257 668 G C -0.663 174.278 174.900 0.069 0.000 1.227 668 G CA -0.638 44.552 45.100 0.150 0.000 0.835 668 G HN 1.024 nan 8.290 nan 0.000 0.556 669 I N -1.214 119.338 120.570 -0.031 0.000 3.264 669 I HA 0.562 4.733 4.170 0.001 0.000 0.309 669 I C 0.112 176.247 176.117 0.029 0.000 1.099 669 I CA -1.435 59.835 61.300 -0.051 0.000 0.989 669 I CB 2.115 39.973 38.000 -0.237 0.000 1.250 669 I HN 0.276 nan 8.210 nan 0.000 0.478 670 N N -0.147 118.575 118.700 0.037 0.000 2.454 670 N HA 0.100 4.841 4.740 0.001 0.000 0.177 670 N C -0.442 175.111 175.510 0.071 0.000 1.049 670 N CA 0.542 53.629 53.050 0.061 0.000 0.887 670 N CB 0.287 38.797 38.487 0.038 0.000 1.095 670 N HN 0.611 nan 8.380 nan 0.000 0.446 671 Q N 1.827 121.707 119.800 0.132 0.000 2.381 671 Q HA 0.376 4.717 4.340 0.001 0.000 0.263 671 Q C -2.483 173.609 176.000 0.153 0.000 1.030 671 Q CA -1.845 54.029 55.803 0.118 0.000 0.772 671 Q CB 2.439 31.268 28.738 0.152 0.000 1.232 671 Q HN 0.134 nan 8.270 nan 0.000 0.476 672 P HA 0.312 nan 4.420 nan 0.000 0.272 672 P C 0.163 177.428 177.300 -0.059 0.000 1.240 672 P CA 0.396 63.429 63.100 -0.112 0.000 0.791 672 P CB 1.280 32.661 31.700 -0.531 0.000 0.978 673 G N 0.739 109.437 108.800 -0.170 0.000 2.291 673 G HA2 0.039 3.999 3.960 0.001 0.000 0.249 673 G HA3 0.039 3.999 3.960 0.001 0.000 0.249 673 G C -1.662 172.830 174.900 -0.680 0.000 1.340 673 G CA -0.727 44.111 45.100 -0.437 0.000 1.017 673 G HN 0.486 nan 8.290 nan 0.000 0.470 674 K N -0.008 120.110 120.400 -0.470 0.000 2.293 674 K HA 0.501 4.821 4.320 0.001 0.000 0.267 674 K C -1.464 174.984 176.600 -0.252 0.000 1.010 674 K CA -0.260 55.871 56.287 -0.260 0.000 0.875 674 K CB 1.696 34.111 32.500 -0.142 0.000 1.106 674 K HN 0.386 nan 8.250 nan 0.000 0.450 675 W N 2.299 123.547 121.300 -0.086 0.000 2.606 675 W HA 0.461 5.121 4.660 0.001 0.000 0.332 675 W C 0.217 176.739 176.519 0.006 0.000 1.052 675 W CA -0.657 56.669 57.345 -0.032 0.000 1.223 675 W CB 1.352 30.802 29.460 -0.016 0.000 1.383 675 W HN 0.336 nan 8.180 nan 0.000 0.524 676 R N 1.691 122.325 120.500 0.223 0.000 2.686 676 R HA 0.307 4.648 4.340 0.001 0.000 0.283 676 R C -0.739 175.664 176.300 0.172 0.000 0.978 676 R CA -0.775 55.419 56.100 0.157 0.000 0.897 676 R CB 1.669 32.020 30.300 0.084 0.000 1.192 676 R HN 0.590 nan 8.270 nan 0.000 0.457 677 E N 3.716 124.004 120.200 0.147 0.000 2.376 677 E HA 0.050 4.400 4.350 0.001 0.000 0.266 677 E C 0.796 177.468 176.600 0.119 0.000 1.009 677 E CA 0.168 56.653 56.400 0.143 0.000 0.902 677 E CB 0.735 30.502 29.700 0.113 0.000 0.972 677 E HN 0.532 nan 8.360 nan 0.000 0.439 678 I N 0.717 121.372 120.570 0.141 0.000 4.139 678 I HA 0.292 4.463 4.170 0.001 0.000 0.335 678 I C -0.075 176.104 176.117 0.104 0.000 1.327 678 I CA -0.156 61.219 61.300 0.125 0.000 1.112 678 I CB 0.515 38.576 38.000 0.102 0.000 1.058 678 I HN 0.218 nan 8.210 nan 0.000 0.396 679 L N 1.387 122.652 121.223 0.069 0.000 2.588 679 L HA 0.504 4.844 4.340 0.001 0.000 0.263 679 L C -1.707 175.101 176.870 -0.102 0.000 0.935 679 L CA -0.186 54.579 54.840 -0.125 0.000 0.891 679 L CB 2.049 43.757 42.059 -0.584 0.000 1.318 679 L HN 0.249 nan 8.230 nan 0.000 0.409 680 N N 1.493 120.178 118.700 -0.024 0.000 2.594 680 N HA 0.159 4.899 4.740 0.001 0.000 0.280 680 N C 0.444 176.035 175.510 0.134 0.000 1.156 680 N CA 0.292 53.362 53.050 0.033 0.000 0.831 680 N CB 1.386 39.918 38.487 0.075 0.000 1.379 680 N HN 0.739 nan 8.380 nan 0.000 0.536 681 T N -0.530 114.021 114.554 -0.006 0.000 3.098 681 T HA -0.109 4.242 4.350 0.001 0.000 0.266 681 T C 0.882 175.672 174.700 0.150 0.000 1.145 681 T CA 1.054 63.136 62.100 -0.029 0.000 1.092 681 T CB -0.100 68.662 68.868 -0.177 0.000 0.908 681 T HN 0.457 nan 8.240 nan 0.000 0.526 682 D N 1.007 121.503 120.400 0.160 0.000 2.349 682 D HA 0.199 4.839 4.640 0.001 0.000 0.214 682 D C 0.741 177.168 176.300 0.212 0.000 1.063 682 D CA -0.112 54.002 54.000 0.190 0.000 0.847 682 D CB 0.050 40.949 40.800 0.165 0.000 0.933 682 D HN 0.383 nan 8.370 nan 0.000 0.513 683 S N -0.093 115.743 115.700 0.226 0.000 2.549 683 S HA -0.127 4.343 4.470 0.001 0.000 0.278 683 S C 1.456 176.090 174.600 0.057 0.000 1.344 683 S CA -0.232 58.019 58.200 0.085 0.000 1.025 683 S CB 0.455 63.614 63.200 -0.070 0.000 0.851 683 S HN 0.356 nan 8.310 nan 0.000 0.530 684 M N 3.082 122.679 119.600 -0.004 0.000 2.229 684 M HA -0.086 4.395 4.480 0.001 0.000 0.264 684 M C 1.184 177.423 176.300 -0.101 0.000 1.063 684 M CA 1.194 56.485 55.300 -0.015 0.000 1.114 684 M CB -0.338 32.241 32.600 -0.035 0.000 1.387 684 M HN 0.841 nan 8.290 nan 0.000 0.420 685 H N -0.748 118.115 119.070 -0.346 0.000 2.871 685 H HA -0.130 4.426 4.556 0.001 0.000 0.377 685 H C 0.023 175.089 175.328 -0.438 0.000 1.307 685 H CA 1.043 56.767 56.048 -0.539 0.000 1.449 685 H CB 0.374 29.592 29.762 -0.907 0.000 1.452 685 H HN 0.443 nan 8.280 nan 0.000 0.619 686 Y N -1.285 118.939 120.300 -0.126 0.000 4.776 686 Y HA -0.334 4.217 4.550 0.001 0.000 0.268 686 Y C 0.864 176.879 175.900 0.193 0.000 0.987 686 Y CA 1.366 59.479 58.100 0.021 0.000 1.944 686 Y CB -2.643 35.821 38.460 0.006 0.000 1.281 686 Y HN 0.942 nan 8.280 nan 0.000 0.480 687 H N -2.091 117.084 119.070 0.175 0.000 2.960 687 H HA 0.131 4.688 4.556 0.001 0.000 0.325 687 H C 1.050 176.567 175.328 0.316 0.000 1.301 687 H CA 0.712 56.889 56.048 0.216 0.000 1.190 687 H CB -1.039 28.854 29.762 0.217 0.000 1.462 687 H HN 0.845 nan 8.280 nan 0.000 0.442 688 G N -0.668 108.343 108.800 0.353 0.000 2.671 688 G HA2 0.418 4.379 3.960 0.001 0.000 0.275 688 G HA3 0.418 4.379 3.960 0.001 0.000 0.275 688 G C 1.060 176.273 174.900 0.523 0.000 1.368 688 G CA -0.191 45.181 45.100 0.453 0.000 1.044 688 G HN 0.442 nan 8.290 nan 0.000 0.543 689 S N -1.768 114.249 115.700 0.528 0.000 2.527 689 S HA -0.011 4.460 4.470 0.001 0.000 0.222 689 S C 1.063 175.763 174.600 0.167 0.000 0.985 689 S CA 1.038 59.399 58.200 0.268 0.000 0.921 689 S CB -0.456 62.837 63.200 0.154 0.000 0.772 689 S HN 0.869 nan 8.310 nan 0.000 0.529 690 N N 0.181 118.985 118.700 0.174 0.000 2.815 690 N HA -0.160 4.580 4.740 0.001 0.000 0.249 690 N C -0.043 175.526 175.510 0.098 0.000 1.114 690 N CA 0.105 53.220 53.050 0.109 0.000 0.717 690 N CB -1.486 37.043 38.487 0.070 0.000 1.074 690 N HN 0.710 nan 8.380 nan 0.000 0.555 691 A N 0.098 122.988 122.820 0.117 0.000 2.271 691 A HA 0.857 5.178 4.320 0.001 0.000 0.288 691 A C 1.036 178.680 177.584 0.099 0.000 1.094 691 A CA 0.698 52.800 52.037 0.109 0.000 0.828 691 A CB 1.314 20.379 19.000 0.109 0.000 1.091 691 A HN 0.773 nan 8.150 nan 0.000 0.493 692 G N -0.178 108.684 108.800 0.104 0.000 2.350 692 G HA2 0.219 4.179 3.960 0.001 0.000 0.282 692 G HA3 0.219 4.179 3.960 0.001 0.000 0.282 692 G C -1.363 173.600 174.900 0.104 0.000 1.314 692 G CA -0.724 44.433 45.100 0.095 0.000 0.915 692 G HN 0.873 nan 8.290 nan 0.000 0.499 693 N N 0.541 119.301 118.700 0.100 0.000 2.527 693 N HA 0.501 5.242 4.740 0.001 0.000 0.236 693 N C 0.318 175.880 175.510 0.086 0.000 0.999 693 N CA 0.173 53.285 53.050 0.103 0.000 0.935 693 N CB 1.736 40.293 38.487 0.117 0.000 1.132 693 N HN 0.863 nan 8.380 nan 0.000 0.511 694 G N 1.694 110.537 108.800 0.073 0.000 2.396 694 G HA2 0.489 4.450 3.960 0.001 0.000 0.292 694 G HA3 0.489 4.450 3.960 0.001 0.000 0.292 694 G C 0.642 175.576 174.900 0.057 0.000 1.106 694 G CA 0.172 45.306 45.100 0.057 0.000 1.055 694 G HN 0.732 nan 8.290 nan 0.000 0.424 695 G N 1.783 110.617 108.800 0.057 0.000 2.712 695 G HA2 0.042 4.002 3.960 0.001 0.000 0.683 695 G HA3 0.042 4.002 3.960 0.001 0.000 0.683 695 G C 0.079 175.024 174.900 0.075 0.000 1.320 695 G CA -0.517 44.617 45.100 0.056 0.000 0.847 695 G HN 0.986 nan 8.290 nan 0.000 0.553 696 T N -0.145 114.453 114.554 0.072 0.000 2.946 696 T HA 0.418 4.768 4.350 0.001 0.000 0.311 696 T C 0.614 175.383 174.700 0.114 0.000 1.063 696 T CA 0.424 62.577 62.100 0.089 0.000 1.139 696 T CB 1.157 70.066 68.868 0.068 0.000 0.994 696 T HN 1.197 nan 8.240 nan 0.000 0.547 697 V N 3.637 123.640 119.914 0.148 0.000 2.540 697 V HA 0.290 4.411 4.120 0.001 0.000 0.302 697 V C -0.092 176.121 176.094 0.198 0.000 1.035 697 V CA -0.932 61.467 62.300 0.164 0.000 0.873 697 V CB 1.562 33.478 31.823 0.156 0.000 0.992 697 V HN 0.812 nan 8.190 nan 0.000 0.428 698 H N 3.002 122.144 119.070 0.120 0.000 2.467 698 H HA 0.479 5.035 4.556 0.001 0.000 0.331 698 H C 0.400 175.797 175.328 0.115 0.000 1.120 698 H CA -0.160 55.965 56.048 0.128 0.000 1.270 698 H CB 1.987 31.798 29.762 0.083 0.000 1.466 698 H HN 0.810 nan 8.280 nan 0.000 0.504 699 S N 3.583 119.449 115.700 0.277 0.000 2.598 699 S HA 0.114 4.584 4.470 0.001 0.000 0.256 699 S C -0.367 174.448 174.600 0.358 0.000 1.350 699 S CA -0.519 57.830 58.200 0.248 0.000 0.984 699 S CB 0.807 64.103 63.200 0.158 0.000 0.930 699 S HN 0.607 nan 8.310 nan 0.000 0.577 700 D N -0.166 120.356 120.400 0.203 0.000 2.780 700 D HA 0.278 4.918 4.640 0.001 0.000 0.242 700 D C -0.851 175.537 176.300 0.147 0.000 1.135 700 D CA -0.461 53.627 54.000 0.147 0.000 0.859 700 D CB 1.504 42.341 40.800 0.061 0.000 1.530 700 D HN 0.774 nan 8.370 nan 0.000 0.493 701 E N 2.181 122.443 120.200 0.104 0.000 2.467 701 E HA 0.150 4.500 4.350 0.001 0.000 0.321 701 E C -0.441 176.092 176.600 -0.112 0.000 1.388 701 E CA 0.061 56.402 56.400 -0.098 0.000 1.508 701 E CB -0.176 29.432 29.700 -0.153 0.000 1.250 701 E HN 0.363 nan 8.360 nan 0.000 0.500 702 I N 2.198 122.731 120.570 -0.062 0.000 2.382 702 I HA 0.287 4.458 4.170 0.001 0.000 0.286 702 I C 0.310 176.394 176.117 -0.055 0.000 1.002 702 I CA -0.943 60.323 61.300 -0.055 0.000 1.135 702 I CB 1.537 39.518 38.000 -0.032 0.000 1.288 702 I HN 0.226 nan 8.210 nan 0.000 0.448 703 A N 4.755 127.537 122.820 -0.065 0.000 2.565 703 A HA 0.341 4.662 4.320 0.001 0.000 0.237 703 A C 0.218 177.778 177.584 -0.040 0.000 1.053 703 A CA 0.597 52.605 52.037 -0.048 0.000 0.755 703 A CB 0.298 19.268 19.000 -0.049 0.000 0.980 703 A HN 0.665 nan 8.150 nan 0.000 0.506 704 S N 0.971 116.666 115.700 -0.007 0.000 2.543 704 S HA 0.501 4.971 4.470 0.001 0.000 0.273 704 S C -0.354 174.287 174.600 0.070 0.000 1.152 704 S CA -0.548 57.633 58.200 -0.031 0.000 0.910 704 S CB 0.360 63.603 63.200 0.073 0.000 1.105 704 S HN 1.020 nan 8.310 nan 0.000 0.465 705 H N 2.014 121.108 119.070 0.039 0.000 2.713 705 H HA -0.202 4.355 4.556 0.001 0.000 0.311 705 H C 1.119 176.477 175.328 0.050 0.000 1.175 705 H CA 1.179 57.262 56.048 0.058 0.000 1.143 705 H CB -1.671 28.153 29.762 0.103 0.000 1.434 705 H HN 1.600 nan 8.280 nan 0.000 0.418 706 G N 0.259 109.099 108.800 0.066 0.000 2.225 706 G HA2 -0.347 3.614 3.960 0.001 0.000 0.267 706 G HA3 -0.347 3.614 3.960 0.001 0.000 0.267 706 G C 0.241 175.182 174.900 0.069 0.000 1.024 706 G CA 0.772 45.906 45.100 0.057 0.000 0.784 706 G HN 0.634 nan 8.290 nan 0.000 0.507 707 R N -0.545 120.003 120.500 0.080 0.000 2.750 707 R HA 0.494 4.835 4.340 0.001 0.000 0.281 707 R C -0.005 176.326 176.300 0.052 0.000 0.972 707 R CA -0.834 55.315 56.100 0.080 0.000 0.912 707 R CB 1.451 31.818 30.300 0.111 0.000 1.187 707 R HN 0.316 nan 8.270 nan 0.000 0.464 708 Q N 2.396 122.224 119.800 0.047 0.000 2.327 708 Q HA 0.113 4.453 4.340 0.001 0.000 0.254 708 Q C -1.165 174.855 176.000 0.033 0.000 0.952 708 Q CA 0.042 55.821 55.803 -0.040 0.000 0.884 708 Q CB 0.489 29.198 28.738 -0.048 0.000 1.224 708 Q HN 0.674 nan 8.270 nan 0.000 0.422 709 H N -0.709 118.370 119.070 0.015 0.000 4.495 709 H HA -0.146 4.411 4.556 0.001 0.000 0.273 709 H C -1.083 174.225 175.328 -0.033 0.000 0.601 709 H CA 0.886 56.938 56.048 0.007 0.000 0.743 709 H CB -0.757 29.023 29.762 0.030 0.000 1.073 709 H HN 0.850 nan 8.280 nan 0.000 0.311 710 S N 1.354 117.079 115.700 0.042 0.000 2.705 710 S HA 0.741 5.211 4.470 0.001 0.000 0.280 710 S C -0.055 174.395 174.600 -0.251 0.000 1.174 710 S CA -0.825 57.296 58.200 -0.131 0.000 0.823 710 S CB 2.209 65.359 63.200 -0.083 0.000 1.162 710 S HN 0.464 nan 8.310 nan 0.000 0.487 711 L N 0.448 121.333 121.223 -0.564 0.000 2.541 711 L HA 0.406 4.746 4.340 0.001 0.000 0.187 711 L C 0.383 177.101 176.870 -0.254 0.000 1.098 711 L CA 0.793 55.334 54.840 -0.498 0.000 0.846 711 L CB 0.213 41.779 42.059 -0.822 0.000 1.151 711 L HN 1.126 nan 8.230 nan 0.000 0.492 712 S N 0.484 116.051 115.700 -0.222 0.000 3.393 712 S HA -0.098 4.373 4.470 0.001 0.000 0.655 712 S C -0.770 173.904 174.600 0.125 0.000 0.634 712 S CA 0.311 58.542 58.200 0.051 0.000 1.428 712 S CB -1.197 62.020 63.200 0.028 0.000 0.998 712 S HN 0.305 nan 8.310 nan 0.000 0.915 713 L N 2.178 123.548 121.223 0.245 0.000 2.669 713 L HA 0.877 5.217 4.340 0.001 0.000 0.255 713 L C 0.297 177.303 176.870 0.226 0.000 1.123 713 L CA -0.967 54.001 54.840 0.213 0.000 0.941 713 L CB 0.346 42.520 42.059 0.192 0.000 1.552 713 L HN 0.296 nan 8.230 nan 0.000 0.394 714 T N 1.933 116.598 114.554 0.184 0.000 2.817 714 T HA 0.698 5.048 4.350 0.001 0.000 0.293 714 T C -0.398 174.339 174.700 0.062 0.000 0.964 714 T CA -0.048 62.138 62.100 0.144 0.000 1.085 714 T CB 0.196 69.184 68.868 0.202 0.000 0.921 714 T HN 0.403 nan 8.240 nan 0.000 0.502 715 L N 6.341 127.548 121.223 -0.026 0.000 2.318 715 L HA 0.370 4.710 4.340 0.001 0.000 0.277 715 L C -2.332 174.489 176.870 -0.082 0.000 1.008 715 L CA -2.373 52.421 54.840 -0.076 0.000 0.846 715 L CB 1.390 43.341 42.059 -0.180 0.000 1.220 715 L HN 0.328 nan 8.230 nan 0.000 0.423 716 P HA 0.046 nan 4.420 nan 0.000 0.268 716 P C -2.411 174.888 177.300 -0.002 0.000 1.208 716 P CA -0.822 62.282 63.100 0.006 0.000 0.777 716 P CB -0.136 31.596 31.700 0.054 0.000 0.875 717 P HA 0.069 nan 4.420 nan 0.000 0.271 717 P C 0.145 177.507 177.300 0.103 0.000 1.216 717 P CA 0.044 63.186 63.100 0.071 0.000 0.776 717 P CB 0.386 32.153 31.700 0.112 0.000 0.881 718 L N -0.969 120.275 121.223 0.036 0.000 3.829 718 L HA -0.267 4.073 4.340 0.001 0.000 0.440 718 L C 0.568 177.387 176.870 -0.085 0.000 1.192 718 L CA 0.695 55.528 54.840 -0.011 0.000 0.848 718 L CB -1.914 40.182 42.059 0.063 0.000 1.744 718 L HN 0.568 nan 8.230 nan 0.000 0.920 719 A N -1.166 121.576 122.820 -0.130 0.000 2.483 719 A HA 0.944 5.264 4.320 0.001 0.000 0.286 719 A C -0.149 177.325 177.584 -0.183 0.000 1.207 719 A CA 0.185 52.151 52.037 -0.117 0.000 0.764 719 A CB 2.200 21.185 19.000 -0.026 0.000 1.341 719 A HN 0.073 nan 8.150 nan 0.000 0.428 720 T N -0.139 114.354 114.554 -0.101 0.000 2.993 720 T HA 0.610 4.960 4.350 0.001 0.000 0.312 720 T C -1.179 173.513 174.700 -0.013 0.000 1.115 720 T CA -0.200 61.878 62.100 -0.036 0.000 1.027 720 T CB 0.443 69.359 68.868 0.080 0.000 1.116 720 T HN 1.310 nan 8.240 nan 0.000 0.464 721 I N 0.246 120.857 120.570 0.069 0.000 2.828 721 I HA 0.926 5.097 4.170 0.001 0.000 0.302 721 I C -1.689 174.647 176.117 0.364 0.000 1.101 721 I CA -1.084 60.273 61.300 0.095 0.000 1.031 721 I CB 2.056 40.100 38.000 0.074 0.000 1.231 721 I HN 0.494 nan 8.210 nan 0.000 0.427 722 W N 4.818 126.124 121.300 0.010 0.000 2.702 722 W HA 0.685 5.346 4.660 0.001 0.000 0.331 722 W C -1.331 175.212 176.519 0.040 0.000 1.049 722 W CA -1.032 56.313 57.345 0.001 0.000 1.230 722 W CB 1.749 31.215 29.460 0.010 0.000 1.408 722 W HN 0.206 nan 8.180 nan 0.000 0.492 723 L N 3.592 124.983 121.223 0.278 0.000 2.362 723 L HA 0.585 4.926 4.340 0.001 0.000 0.275 723 L C -0.257 176.869 176.870 0.426 0.000 0.998 723 L CA -1.030 54.009 54.840 0.331 0.000 0.820 723 L CB 1.209 43.472 42.059 0.341 0.000 1.270 723 L HN 0.163 nan 8.230 nan 0.000 0.415 724 V N 4.148 124.230 119.914 0.281 0.000 2.769 724 V HA 0.548 4.669 4.120 0.001 0.000 0.312 724 V C -0.048 175.878 176.094 -0.280 0.000 1.058 724 V CA -0.804 61.519 62.300 0.039 0.000 0.952 724 V CB 2.677 34.462 31.823 -0.063 0.000 1.019 724 V HN 0.868 nan 8.190 nan 0.000 0.445 725 R N 3.741 123.760 120.500 -0.801 0.000 2.254 725 R HA 0.391 4.731 4.340 0.001 0.000 0.318 725 R C -0.121 175.856 176.300 -0.538 0.000 1.031 725 R CA -0.390 54.996 56.100 -1.190 0.000 0.905 725 R CB 0.796 30.198 30.300 -1.497 0.000 1.050 725 R HN 0.810 nan 8.270 nan 0.000 0.456 726 E N 1.801 121.755 120.200 -0.410 0.000 2.374 726 E HA 0.222 4.572 4.350 0.001 0.000 0.260 726 E C -0.577 175.902 176.600 -0.202 0.000 1.101 726 E CA -0.460 55.810 56.400 -0.218 0.000 0.907 726 E CB 1.010 30.625 29.700 -0.142 0.000 1.014 726 E HN 0.617 nan 8.360 nan 0.000 0.427 727 A N 2.571 125.316 122.820 -0.124 0.000 2.328 727 A HA 0.149 4.469 4.320 0.001 0.000 0.284 727 A C 0.231 177.770 177.584 -0.075 0.000 1.160 727 A CA -0.702 51.275 52.037 -0.099 0.000 0.818 727 A CB 0.414 19.373 19.000 -0.068 0.000 1.087 727 A HN 0.482 nan 8.150 nan 0.000 0.504 728 E N 0.000 120.159 120.200 -0.068 0.000 2.725 728 E HA 0.000 4.350 4.350 0.001 0.000 0.291 728 E CA 0.000 56.376 56.400 -0.040 0.000 0.976 728 E CB 0.000 29.682 29.700 -0.030 0.000 0.812 728 E HN 0.000 nan 8.360 nan 0.000 0.440