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 2gh8_1_A DATA FIRST_RESID 160 DATA SEQUENCE EIVTEEQGTV VQQQPAPAPT ALATLATAST GKSVEQEWMT FFSYHTSINW DATA SEQUENCE STVESQGKIL YSQALNPSIN PYLDHIAKLY STWSGGIDVR FTVSGSGVFG DATA SEQUENCE GKLAALLVPP GVEPIESVSM LQYPHVLFDA RQTEPVIFTI PDIRKTLFHS DATA SEQUENCE MDETDTTKLV IMVYNELINP YENGVENKTT CSITVETRPS ADFTFALLKP DATA SEQUENCE PGSLIKHGSI PSDLIPRNSA HWMGNRWWST ISGFSVQPRV FQSNRHFDFD DATA SEQUENCE STTTGWSTPY YVPIEIKIQG KVGSNNKWFH VIDTDKALVP GIPDGWPDTT DATA SEQUENCE IPDETKATNG NFSYGESYRA GSTTIKPNEN STHFKGTYIC GTLSTVEIPE DATA SEQUENCE NDEQQIKTEA EKKSQTMYVV TADFKDTIVK PQHKISPQKL VVYFDGPEKD DATA SEQUENCE LTMSATLSPL GYTLVDEQPV GSVSSRVVRI ATLPEAFTQG GNYPIFYVNK DATA SEQUENCE IKVGYFDRAT TNCYNSQILM TSQRLAEGNY NLPPDSLAVY RITDSSSQWF DATA SEQUENCE DIGINHDGFS YVGLSDLPND LSFPLTSTFM GVQLARVKLA SKVK 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 160 E HA 0.000 nan 4.350 nan 0.000 0.291 160 E C 0.000 176.599 176.600 -0.002 0.000 1.382 160 E CA 0.000 56.399 56.400 -0.002 0.000 0.976 160 E CB 0.000 29.699 29.700 -0.002 0.000 0.812 161 I N 1.139 121.708 120.570 -0.002 0.000 2.556 161 I HA 0.203 4.373 4.170 -0.000 0.000 0.284 161 I C -0.452 175.663 176.117 -0.003 0.000 1.114 161 I CA -0.149 61.149 61.300 -0.003 0.000 1.418 161 I CB 1.141 39.139 38.000 -0.002 0.000 1.394 161 I HN 0.311 nan 8.210 nan 0.000 0.552 162 V N 5.768 125.680 119.914 -0.003 0.000 2.444 162 V HA 0.356 4.475 4.120 -0.000 0.000 0.294 162 V C 0.508 176.600 176.094 -0.004 0.000 1.022 162 V CA -0.632 61.666 62.300 -0.004 0.000 0.850 162 V CB 1.533 33.354 31.823 -0.004 0.000 0.992 162 V HN 0.947 nan 8.190 nan 0.000 0.426 163 T N 1.886 116.438 114.554 -0.004 0.000 2.900 163 T HA 0.215 4.564 4.350 -0.000 0.000 0.326 163 T C 1.068 175.765 174.700 -0.005 0.000 1.145 163 T CA 0.224 62.322 62.100 -0.004 0.000 0.963 163 T CB 0.650 69.516 68.868 -0.003 0.000 1.512 163 T HN 0.528 nan 8.240 nan 0.000 0.552 164 E N 0.301 120.498 120.200 -0.005 0.000 2.072 164 E HA 0.023 4.373 4.350 -0.000 0.000 0.190 164 E C 1.992 178.589 176.600 -0.005 0.000 0.982 164 E CA 1.344 57.740 56.400 -0.006 0.000 0.803 164 E CB -0.067 29.629 29.700 -0.006 0.000 0.755 164 E HN 0.790 nan 8.360 nan 0.000 0.453 165 E N -0.114 120.084 120.200 -0.003 0.000 2.526 165 E HA 0.067 4.417 4.350 -0.000 0.000 0.208 165 E C -0.023 176.575 176.600 -0.002 0.000 0.997 165 E CA -0.255 56.143 56.400 -0.002 0.000 0.961 165 E CB 0.468 30.167 29.700 -0.001 0.000 1.030 165 E HN 0.148 nan 8.360 nan 0.000 0.483 166 Q N 0.664 120.462 119.800 -0.003 0.000 2.369 166 Q HA 0.227 4.567 4.340 -0.000 0.000 0.295 166 Q C -0.096 175.903 176.000 -0.002 0.000 1.075 166 Q CA 0.926 56.728 55.803 -0.002 0.000 0.941 166 Q CB 0.494 29.230 28.738 -0.003 0.000 1.260 166 Q HN 0.192 nan 8.270 nan 0.000 0.417 167 G N 1.342 110.140 108.800 -0.002 0.000 2.306 167 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.340 167 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.340 167 G C -1.046 173.853 174.900 -0.002 0.000 1.630 167 G CA -0.714 44.385 45.100 -0.002 0.000 0.937 167 G HN 0.532 nan 8.290 nan 0.000 0.693 168 T N 0.938 115.491 114.554 -0.002 0.000 2.814 168 T HA 0.434 4.784 4.350 -0.000 0.000 0.297 168 T C 0.460 175.159 174.700 -0.001 0.000 0.956 168 T CA 0.107 62.207 62.100 -0.001 0.000 1.123 168 T CB 1.419 70.286 68.868 -0.001 0.000 0.902 168 T HN 1.294 nan 8.240 nan 0.000 0.528 169 V N 6.285 126.198 119.914 -0.001 0.000 2.394 169 V HA 0.544 4.664 4.120 -0.000 0.000 0.282 169 V C -0.332 175.761 176.094 -0.000 0.000 1.031 169 V CA -0.381 61.919 62.300 -0.000 0.000 0.881 169 V CB 1.101 32.924 31.823 0.000 0.000 0.982 169 V HN 0.673 nan 8.190 nan 0.000 0.451 170 V N 7.353 127.267 119.914 -0.000 0.000 2.612 170 V HA 0.532 4.652 4.120 -0.000 0.000 0.301 170 V C -0.211 175.883 176.094 0.000 0.000 1.046 170 V CA -0.670 61.630 62.300 -0.000 0.000 0.946 170 V CB 1.835 33.658 31.823 -0.000 0.000 1.003 170 V HN 0.954 nan 8.190 nan 0.000 0.459 171 Q N 3.376 123.176 119.800 0.000 0.000 2.274 171 Q HA 0.634 4.974 4.340 -0.000 0.000 0.260 171 Q C -1.343 174.657 176.000 0.000 0.000 0.974 171 Q CA -0.763 55.040 55.803 0.000 0.000 0.876 171 Q CB 2.335 31.073 28.738 0.000 0.000 1.297 171 Q HN 0.760 nan 8.270 nan 0.000 0.446 172 Q N 1.040 120.840 119.800 0.000 0.000 2.372 172 Q HA 0.193 4.533 4.340 -0.000 0.000 0.273 172 Q C 0.478 176.479 176.000 0.001 0.000 1.078 172 Q CA -0.755 55.048 55.803 0.000 0.000 0.806 172 Q CB 2.329 31.067 28.738 0.000 0.000 1.332 172 Q HN 0.627 nan 8.270 nan 0.000 0.435 173 Q N 1.597 121.398 119.800 0.000 0.000 2.045 173 Q HA -0.149 4.191 4.340 -0.000 0.000 0.215 173 Q C -1.133 174.868 176.000 0.001 0.000 1.026 173 Q CA 1.773 57.576 55.803 0.000 0.000 0.885 173 Q CB -1.088 27.651 28.738 0.000 0.000 0.984 173 Q HN 0.554 nan 8.270 nan 0.000 0.414 174 P HA 0.306 nan 4.420 nan 0.000 0.277 174 P C -1.714 175.586 177.300 0.001 0.000 1.354 174 P CA 0.251 63.352 63.100 0.001 0.000 0.891 174 P CB 0.541 32.242 31.700 0.001 0.000 1.058 175 A N 4.975 127.796 122.820 0.001 0.000 2.579 175 A HA 0.521 4.841 4.320 -0.000 0.000 0.288 175 A C -1.974 175.610 177.584 0.002 0.000 1.079 175 A CA -0.778 51.260 52.037 0.002 0.000 0.889 175 A CB 0.491 19.491 19.000 0.001 0.000 1.439 175 A HN 0.426 nan 8.150 nan 0.000 0.399 176 P HA 0.641 nan 4.420 nan 0.000 0.318 176 P C 0.098 177.399 177.300 0.002 0.000 1.309 176 P CA -0.217 62.884 63.100 0.002 0.000 0.736 176 P CB 0.696 32.398 31.700 0.002 0.000 1.440 177 A N 1.086 123.907 122.820 0.002 0.000 2.621 177 A HA 0.357 4.677 4.320 -0.000 0.000 0.329 177 A C -1.007 176.579 177.584 0.003 0.000 1.458 177 A CA -1.293 50.745 52.037 0.002 0.000 1.052 177 A CB -0.234 18.767 19.000 0.002 0.000 1.142 177 A HN 0.390 nan 8.150 nan 0.000 0.523 178 P HA -0.241 nan 4.420 nan 0.000 0.218 178 P C 1.399 178.701 177.300 0.004 0.000 1.154 178 P CA 2.085 65.187 63.100 0.004 0.000 0.872 178 P CB -0.047 31.655 31.700 0.004 0.000 0.790 179 T N 0.291 114.847 114.554 0.003 0.000 2.674 179 T HA -0.065 4.285 4.350 -0.000 0.000 0.265 179 T C 2.170 176.871 174.700 0.002 0.000 1.039 179 T CA 1.800 63.901 62.100 0.002 0.000 1.150 179 T CB -1.011 67.858 68.868 0.002 0.000 0.864 179 T HN 0.140 nan 8.240 nan 0.000 0.427 180 A N 1.263 124.084 122.820 0.002 0.000 1.908 180 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 180 A C 2.337 179.923 177.584 0.002 0.000 1.181 180 A CA 1.346 53.384 52.037 0.002 0.000 0.627 180 A CB -0.969 18.032 19.000 0.001 0.000 0.818 180 A HN 0.477 nan 8.150 nan 0.000 0.445 181 L N -1.009 120.216 121.223 0.003 0.000 2.093 181 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 181 L C 3.094 179.967 176.870 0.004 0.000 1.085 181 L CA 0.928 55.770 54.840 0.004 0.000 0.755 181 L CB -0.497 41.564 42.059 0.004 0.000 0.904 181 L HN 0.461 nan 8.230 nan 0.000 0.435 182 A N -0.420 122.403 122.820 0.004 0.000 1.933 182 A HA -0.202 4.117 4.320 -0.000 0.000 0.218 182 A C 2.338 179.924 177.584 0.003 0.000 1.175 182 A CA 2.333 54.373 52.037 0.005 0.000 0.628 182 A CB -0.834 18.169 19.000 0.005 0.000 0.814 182 A HN 0.395 nan 8.150 nan 0.000 0.444 183 T N 0.460 115.015 114.554 0.002 0.000 2.777 183 T HA -0.059 4.291 4.350 -0.000 0.000 0.266 183 T C 1.788 176.489 174.700 0.001 0.000 1.040 183 T CA 1.375 63.475 62.100 0.001 0.000 1.141 183 T CB -0.386 68.482 68.868 0.000 0.000 0.868 183 T HN 0.362 nan 8.240 nan 0.000 0.444 184 L N 0.707 121.932 121.223 0.002 0.000 2.127 184 L HA -0.128 4.212 4.340 -0.000 0.000 0.211 184 L C 2.944 179.816 176.870 0.003 0.000 1.089 184 L CA 1.122 55.964 54.840 0.002 0.000 0.757 184 L CB -0.641 41.419 42.059 0.003 0.000 0.899 184 L HN 0.264 nan 8.230 nan 0.000 0.434 185 A N 0.259 123.082 122.820 0.004 0.000 1.832 185 A HA -0.211 4.109 4.320 -0.000 0.000 0.214 185 A C 2.452 180.039 177.584 0.004 0.000 1.204 185 A CA 2.140 54.181 52.037 0.006 0.000 0.606 185 A CB -1.180 17.825 19.000 0.008 0.000 0.849 185 A HN 0.471 nan 8.150 nan 0.000 0.445 186 T N -1.699 112.857 114.554 0.003 0.000 2.822 186 T HA -0.031 4.319 4.350 -0.000 0.000 0.270 186 T C 1.793 176.493 174.700 -0.001 0.000 1.064 186 T CA 1.846 63.947 62.100 0.001 0.000 1.131 186 T CB -0.572 68.295 68.868 -0.001 0.000 0.858 186 T HN 0.605 nan 8.240 nan 0.000 0.483 187 A N 1.315 124.135 122.820 -0.000 0.000 1.898 187 A HA 0.031 4.350 4.320 -0.000 0.000 0.216 187 A C 2.724 180.307 177.584 -0.001 0.000 1.181 187 A CA 2.013 54.049 52.037 -0.001 0.000 0.620 187 A CB -1.175 17.825 19.000 -0.001 0.000 0.819 187 A HN 0.599 nan 8.150 nan 0.000 0.442 188 S N -1.725 113.975 115.700 0.001 0.000 2.425 188 S HA -0.074 4.396 4.470 -0.000 0.000 0.225 188 S C 1.999 176.600 174.600 0.001 0.000 1.024 188 S CA 1.855 60.056 58.200 0.001 0.000 0.951 188 S CB -0.457 62.745 63.200 0.003 0.000 0.796 188 S HN 0.530 nan 8.310 nan 0.000 0.498 189 T N 0.327 114.883 114.554 0.002 0.000 2.770 189 T HA 0.283 4.633 4.350 -0.000 0.000 0.258 189 T C 1.410 176.110 174.700 -0.001 0.000 1.039 189 T CA 1.348 63.450 62.100 0.003 0.000 1.143 189 T CB -0.630 68.242 68.868 0.007 0.000 0.866 189 T HN 0.834 nan 8.240 nan 0.000 0.428 190 G N 1.290 110.088 108.800 -0.003 0.000 2.148 190 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.203 190 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.203 190 G C 0.107 175.002 174.900 -0.009 0.000 0.993 190 G CA 0.190 45.286 45.100 -0.007 0.000 0.661 190 G HN 0.568 nan 8.290 nan 0.000 0.518 191 K N 1.107 121.502 120.400 -0.007 0.000 2.524 191 K HA 0.443 4.763 4.320 -0.000 0.000 0.279 191 K C 1.456 178.044 176.600 -0.019 0.000 0.993 191 K CA 1.281 57.561 56.287 -0.012 0.000 1.030 191 K CB 0.519 33.015 32.500 -0.007 0.000 0.891 191 K HN 0.648 nan 8.250 nan 0.000 0.488 192 S N 1.283 116.965 115.700 -0.030 0.000 3.364 192 S HA 0.164 4.634 4.470 -0.000 0.000 0.257 192 S C -0.170 174.400 174.600 -0.050 0.000 1.098 192 S CA -0.365 57.815 58.200 -0.035 0.000 0.888 192 S CB 0.142 63.322 63.200 -0.033 0.000 0.925 192 S HN 0.207 nan 8.310 nan 0.000 0.442 193 V N 2.666 122.537 119.914 -0.072 0.000 2.667 193 V HA 0.596 4.716 4.120 -0.000 0.000 0.308 193 V C 1.115 177.130 176.094 -0.131 0.000 1.048 193 V CA -0.409 61.828 62.300 -0.105 0.000 0.928 193 V CB 1.703 33.444 31.823 -0.137 0.000 1.004 193 V HN 0.364 nan 8.190 nan 0.000 0.444 194 E N 1.344 121.458 120.200 -0.143 0.000 2.230 194 E HA -0.015 4.335 4.350 -0.000 0.000 0.192 194 E C 0.793 177.206 176.600 -0.312 0.000 0.987 194 E CA 1.054 57.365 56.400 -0.147 0.000 0.841 194 E CB 0.258 29.910 29.700 -0.080 0.000 0.783 194 E HN 0.655 nan 8.360 nan 0.000 0.481 195 Q N 1.049 120.550 119.800 -0.499 0.000 2.788 195 Q HA 0.067 4.407 4.340 -0.000 0.000 0.278 195 Q C 0.092 175.422 176.000 -1.118 0.000 1.126 195 Q CA -0.182 54.935 55.803 -1.144 0.000 1.017 195 Q CB 0.993 29.199 28.738 -0.886 0.000 1.219 195 Q HN 0.366 nan 8.270 nan 0.000 0.503 196 E N 0.131 119.895 120.200 -0.727 0.000 2.267 196 E HA -0.197 4.152 4.350 -0.000 0.000 0.197 196 E C 0.873 177.290 176.600 -0.304 0.000 0.998 196 E CA 1.029 57.222 56.400 -0.345 0.000 0.830 196 E CB -0.363 29.295 29.700 -0.070 0.000 0.751 196 E HN 0.663 nan 8.360 nan 0.000 0.491 197 W N 0.601 121.743 121.300 -0.262 0.000 3.096 197 W HA 0.201 4.861 4.660 -0.000 0.000 0.241 197 W C 1.475 177.539 176.519 -0.758 0.000 1.316 197 W CA -0.020 56.867 57.345 -0.765 0.000 1.520 197 W CB -0.403 28.492 29.460 -0.940 0.000 1.128 197 W HN -0.159 nan 8.180 nan 0.000 0.707 198 M N 1.152 120.392 119.600 -0.601 0.000 2.371 198 M HA 0.121 4.601 4.480 -0.000 0.000 0.246 198 M C 1.224 177.296 176.300 -0.379 0.000 1.103 198 M CA 1.093 56.146 55.300 -0.412 0.000 1.010 198 M CB -0.318 32.074 32.600 -0.346 0.000 1.457 198 M HN 0.227 nan 8.290 nan 0.000 0.486 199 T N -1.622 112.717 114.554 -0.358 0.000 3.174 199 T HA 0.335 4.685 4.350 -0.000 0.000 0.269 199 T C -0.194 174.446 174.700 -0.099 0.000 1.017 199 T CA -0.508 61.473 62.100 -0.197 0.000 0.899 199 T CB -0.390 68.432 68.868 -0.078 0.000 1.077 199 T HN 0.244 nan 8.240 nan 0.000 0.552 200 F N -1.162 118.637 119.950 -0.251 0.000 2.693 200 F HA 0.741 5.268 4.527 -0.000 0.000 0.309 200 F C -1.860 173.797 175.800 -0.238 0.000 1.129 200 F CA -2.931 54.941 58.000 -0.213 0.000 0.948 200 F CB 0.546 39.505 39.000 -0.067 0.000 1.315 200 F HN -0.132 nan 8.300 nan 0.000 0.447 201 F N 1.680 121.784 119.950 0.257 0.000 2.410 201 F HA 0.581 5.108 4.527 -0.000 0.000 0.348 201 F C 0.452 176.450 175.800 0.329 0.000 1.106 201 F CA -0.264 57.830 58.000 0.157 0.000 1.163 201 F CB 1.629 40.688 39.000 0.098 0.000 1.129 201 F HN 0.521 nan 8.300 nan 0.000 0.516 202 S N 2.784 118.737 115.700 0.422 0.000 2.475 202 S HA 0.219 4.689 4.470 -0.000 0.000 0.298 202 S C -0.960 173.841 174.600 0.335 0.000 1.119 202 S CA -0.642 57.828 58.200 0.451 0.000 1.085 202 S CB 0.794 64.267 63.200 0.455 0.000 1.028 202 S HN 0.509 nan 8.310 nan 0.000 0.489 203 Y N 3.569 123.997 120.300 0.213 0.000 2.717 203 Y HA -0.043 4.507 4.550 -0.000 0.000 0.330 203 Y C 1.264 177.266 175.900 0.170 0.000 1.217 203 Y CA 0.961 59.147 58.100 0.142 0.000 1.506 203 Y CB 0.217 38.733 38.460 0.092 0.000 1.268 203 Y HN 0.919 nan 8.280 nan 0.000 0.561 204 H N 2.747 121.422 119.070 -0.659 0.000 2.334 204 H HA 0.208 4.764 4.556 -0.000 0.000 0.307 204 H C -0.117 174.725 175.328 -0.809 0.000 1.092 204 H CA 0.600 56.340 56.048 -0.513 0.000 1.567 204 H CB 0.987 30.575 29.762 -0.291 0.000 1.505 204 H HN 0.617 nan 8.280 nan 0.000 0.637 205 T N -0.539 113.390 114.554 -1.040 0.000 2.731 205 T HA 0.434 4.784 4.350 -0.000 0.000 0.300 205 T C -1.661 172.715 174.700 -0.541 0.000 1.283 205 T CA -0.586 61.011 62.100 -0.838 0.000 1.005 205 T CB 1.887 70.303 68.868 -0.754 0.000 1.420 205 T HN 0.272 nan 8.240 nan 0.000 0.503 206 S N 0.785 116.329 115.700 -0.260 0.000 2.549 206 S HA 0.802 5.272 4.470 -0.000 0.000 0.280 206 S C -1.075 173.416 174.600 -0.182 0.000 1.109 206 S CA -0.743 57.371 58.200 -0.142 0.000 0.905 206 S CB 1.028 64.256 63.200 0.047 0.000 1.081 206 S HN 0.761 nan 8.310 nan 0.000 0.477 207 I N -0.193 120.268 120.570 -0.181 0.000 2.647 207 I HA 0.617 4.787 4.170 -0.000 0.000 0.295 207 I C -0.784 175.297 176.117 -0.060 0.000 1.078 207 I CA -0.896 60.280 61.300 -0.206 0.000 1.048 207 I CB 1.756 39.594 38.000 -0.269 0.000 1.239 207 I HN 0.321 nan 8.210 nan 0.000 0.421 208 N N 3.280 121.974 118.700 -0.011 0.000 2.515 208 N HA 0.261 5.001 4.740 -0.000 0.000 0.279 208 N C -1.715 174.015 175.510 0.365 0.000 1.164 208 N CA -0.040 53.129 53.050 0.197 0.000 0.982 208 N CB 1.694 40.343 38.487 0.270 0.000 1.170 208 N HN 0.718 nan 8.380 nan 0.000 0.474 209 W N 1.917 123.295 121.300 0.129 0.000 2.543 209 W HA 0.322 4.982 4.660 -0.000 0.000 0.318 209 W C -0.419 176.146 176.519 0.076 0.000 1.002 209 W CA -0.978 56.438 57.345 0.118 0.000 1.302 209 W CB 0.418 29.929 29.460 0.084 0.000 1.299 209 W HN 0.264 nan 8.180 nan 0.000 0.424 210 S N 2.300 118.133 115.700 0.222 0.000 2.687 210 S HA 0.383 4.853 4.470 -0.000 0.000 0.283 210 S C 1.346 175.855 174.600 -0.151 0.000 1.170 210 S CA 0.318 58.507 58.200 -0.019 0.000 1.008 210 S CB 1.285 64.516 63.200 0.053 0.000 1.026 210 S HN 0.514 nan 8.310 nan 0.000 0.541 211 T N 0.383 114.810 114.554 -0.211 0.000 3.118 211 T HA -0.026 4.324 4.350 -0.000 0.000 0.260 211 T C 1.658 176.313 174.700 -0.075 0.000 1.139 211 T CA 1.013 62.990 62.100 -0.205 0.000 1.085 211 T CB -0.820 67.916 68.868 -0.219 0.000 0.934 211 T HN 0.671 nan 8.240 nan 0.000 0.518 212 V N -0.570 119.324 119.914 -0.033 0.000 2.649 212 V HA 0.149 4.269 4.120 -0.000 0.000 0.248 212 V C 0.918 177.033 176.094 0.034 0.000 1.054 212 V CA -0.095 62.201 62.300 -0.006 0.000 1.073 212 V CB -0.794 31.017 31.823 -0.019 0.000 0.699 212 V HN 0.548 nan 8.190 nan 0.000 0.463 213 E N 3.404 123.658 120.200 0.089 0.000 2.324 213 E HA 0.336 4.686 4.350 -0.000 0.000 0.271 213 E C -0.098 176.591 176.600 0.148 0.000 1.028 213 E CA 0.382 56.866 56.400 0.139 0.000 0.890 213 E CB 0.671 30.515 29.700 0.239 0.000 1.004 213 E HN 0.659 nan 8.360 nan 0.000 0.431 214 S N 2.289 118.053 115.700 0.107 0.000 2.608 214 S HA 0.084 4.554 4.470 -0.000 0.000 0.291 214 S C 0.148 174.804 174.600 0.092 0.000 1.146 214 S CA -1.083 57.172 58.200 0.092 0.000 1.043 214 S CB 1.495 64.727 63.200 0.052 0.000 1.037 214 S HN 0.641 nan 8.310 nan 0.000 0.520 215 Q N 0.283 120.130 119.800 0.078 0.000 2.955 215 Q HA 0.153 4.493 4.340 -0.000 0.000 0.361 215 Q C 1.163 177.183 176.000 0.033 0.000 1.060 215 Q CA 1.466 57.299 55.803 0.051 0.000 1.177 215 Q CB -0.843 27.894 28.738 -0.003 0.000 0.991 215 Q HN 1.352 nan 8.270 nan 0.000 0.414 216 G N 3.529 112.354 108.800 0.042 0.000 2.284 216 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.201 216 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.201 216 G C -0.314 174.607 174.900 0.036 0.000 0.998 216 G CA -0.091 45.025 45.100 0.026 0.000 0.651 216 G HN 0.554 nan 8.290 nan 0.000 0.489 217 K N 0.816 121.252 120.400 0.061 0.000 2.298 217 K HA 0.532 4.852 4.320 -0.000 0.000 0.280 217 K C 0.291 176.927 176.600 0.060 0.000 1.032 217 K CA -0.240 56.091 56.287 0.073 0.000 0.958 217 K CB 1.099 33.666 32.500 0.111 0.000 0.978 217 K HN 0.263 nan 8.250 nan 0.000 0.472 218 I N 5.519 126.122 120.570 0.054 0.000 2.322 218 I HA -0.003 4.167 4.170 -0.000 0.000 0.292 218 I C 0.906 177.057 176.117 0.057 0.000 1.060 218 I CA -0.108 61.208 61.300 0.025 0.000 1.309 218 I CB 0.504 38.501 38.000 -0.005 0.000 1.415 218 I HN 0.505 nan 8.210 nan 0.000 0.492 219 L N 6.867 128.107 121.223 0.029 0.000 2.592 219 L HA 0.172 4.512 4.340 -0.000 0.000 0.227 219 L C -0.238 176.638 176.870 0.011 0.000 1.127 219 L CA 0.132 54.992 54.840 0.032 0.000 0.884 219 L CB -0.343 41.704 42.059 -0.020 0.000 1.065 219 L HN 0.533 nan 8.230 nan 0.000 0.457 220 Y N -0.248 119.954 120.300 -0.163 0.000 2.357 220 Y HA 0.398 4.948 4.550 -0.000 0.000 0.319 220 Y C -1.100 174.710 175.900 -0.150 0.000 1.225 220 Y CA -1.153 56.833 58.100 -0.190 0.000 1.095 220 Y CB 1.720 40.051 38.460 -0.214 0.000 1.302 220 Y HN -0.209 nan 8.280 nan 0.000 0.429 221 S N 5.965 121.286 115.700 -0.632 0.000 2.383 221 S HA 0.374 4.844 4.470 -0.000 0.000 0.196 221 S C -1.593 172.635 174.600 -0.621 0.000 1.364 221 S CA -0.391 57.497 58.200 -0.521 0.000 1.212 221 S CB 0.330 63.367 63.200 -0.272 0.000 1.171 221 S HN 0.777 nan 8.310 nan 0.000 0.456 222 Q N 2.713 122.032 119.800 -0.802 0.000 2.337 222 Q HA 0.808 5.148 4.340 -0.000 0.000 0.266 222 Q C -0.593 175.253 176.000 -0.256 0.000 1.023 222 Q CA -0.658 54.831 55.803 -0.524 0.000 0.829 222 Q CB 1.918 30.309 28.738 -0.579 0.000 1.306 222 Q HN 0.739 nan 8.270 nan 0.000 0.449 223 A N 2.977 125.707 122.820 -0.150 0.000 2.316 223 A HA 0.408 4.728 4.320 -0.000 0.000 0.284 223 A C -0.763 176.807 177.584 -0.022 0.000 1.115 223 A CA -0.623 51.380 52.037 -0.057 0.000 0.812 223 A CB 0.452 19.439 19.000 -0.021 0.000 1.064 223 A HN 0.822 nan 8.150 nan 0.000 0.489 224 L N 2.351 123.586 121.223 0.021 0.000 2.654 224 L HA 0.243 4.583 4.340 -0.000 0.000 0.271 224 L C -0.074 176.782 176.870 -0.024 0.000 1.169 224 L CA 0.870 55.724 54.840 0.022 0.000 0.947 224 L CB -0.693 41.445 42.059 0.130 0.000 1.232 224 L HN 0.844 nan 8.230 nan 0.000 0.486 225 N N 4.205 122.774 118.700 -0.217 0.000 2.484 225 N HA 0.492 5.232 4.740 -0.000 0.000 0.269 225 N C -2.358 172.832 175.510 -0.532 0.000 1.237 225 N CA -1.217 51.588 53.050 -0.409 0.000 0.838 225 N CB 1.999 40.411 38.487 -0.124 0.000 1.593 225 N HN 0.185 nan 8.380 nan 0.000 0.485 226 P HA -0.157 nan 4.420 nan 0.000 0.221 226 P C 0.852 177.992 177.300 -0.267 0.000 1.145 226 P CA 1.193 64.025 63.100 -0.447 0.000 0.795 226 P CB 0.012 31.635 31.700 -0.129 0.000 0.775 227 S N -0.150 115.434 115.700 -0.193 0.000 2.419 227 S HA -0.148 4.322 4.470 -0.000 0.000 0.235 227 S C 2.024 176.534 174.600 -0.150 0.000 1.019 227 S CA 0.746 58.886 58.200 -0.099 0.000 0.982 227 S CB -1.609 61.584 63.200 -0.011 0.000 0.789 227 S HN 0.100 nan 8.310 nan 0.000 0.490 228 I N 1.813 122.218 120.570 -0.275 0.000 2.423 228 I HA -0.095 4.074 4.170 -0.000 0.000 0.254 228 I C 1.236 176.995 176.117 -0.597 0.000 1.151 228 I CA 0.843 61.815 61.300 -0.547 0.000 1.421 228 I CB -0.345 37.388 38.000 -0.445 0.000 1.079 228 I HN 0.403 nan 8.210 nan 0.000 0.431 229 N N 1.001 119.494 118.700 -0.345 0.000 2.392 229 N HA 0.143 4.883 4.740 -0.000 0.000 0.283 229 N C -1.875 173.557 175.510 -0.131 0.000 1.003 229 N CA -1.961 50.957 53.050 -0.219 0.000 0.892 229 N CB 2.083 40.431 38.487 -0.231 0.000 1.193 229 N HN -0.192 nan 8.380 nan 0.000 0.487 230 P HA -0.183 nan 4.420 nan 0.000 0.216 230 P C 0.810 177.929 177.300 -0.302 0.000 1.153 230 P CA 1.557 64.556 63.100 -0.168 0.000 0.858 230 P CB 0.126 31.713 31.700 -0.188 0.000 0.789 231 Y N -0.192 120.007 120.300 -0.169 0.000 2.184 231 Y HA -0.083 4.467 4.550 -0.000 0.000 0.290 231 Y C 2.879 178.577 175.900 -0.337 0.000 1.129 231 Y CA 0.905 58.792 58.100 -0.356 0.000 1.144 231 Y CB -1.345 36.735 38.460 -0.633 0.000 0.995 231 Y HN -0.225 nan 8.280 nan 0.000 0.513 232 L N -0.141 121.026 121.223 -0.093 0.000 1.989 232 L HA -0.281 4.059 4.340 -0.000 0.000 0.211 232 L C 2.137 179.066 176.870 0.099 0.000 1.071 232 L CA 2.031 56.908 54.840 0.061 0.000 0.749 232 L CB -0.731 41.230 42.059 -0.163 0.000 0.890 232 L HN 0.225 nan 8.230 nan 0.000 0.431 233 D N -1.052 119.338 120.400 -0.017 0.000 2.172 233 D HA -0.293 4.347 4.640 -0.000 0.000 0.196 233 D C 2.125 178.422 176.300 -0.004 0.000 0.999 233 D CA 1.461 55.453 54.000 -0.014 0.000 0.856 233 D CB 0.035 40.813 40.800 -0.038 0.000 0.934 233 D HN 0.368 nan 8.370 nan 0.000 0.453 234 H N -0.755 118.222 119.070 -0.154 0.000 2.284 234 H HA -0.067 4.489 4.556 -0.000 0.000 0.304 234 H C 2.183 177.410 175.328 -0.169 0.000 1.069 234 H CA 1.130 57.076 56.048 -0.171 0.000 1.327 234 H CB -0.001 29.626 29.762 -0.226 0.000 1.387 234 H HN 0.160 nan 8.280 nan 0.000 0.498 235 I N 1.580 121.996 120.570 -0.257 0.000 2.264 235 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 235 I C 2.862 178.703 176.117 -0.460 0.000 1.111 235 I CA 1.188 62.299 61.300 -0.316 0.000 1.382 235 I CB -0.547 37.415 38.000 -0.064 0.000 1.060 235 I HN 0.335 nan 8.210 nan 0.000 0.418 236 A N 0.218 122.726 122.820 -0.520 0.000 2.042 236 A HA -0.304 4.016 4.320 -0.000 0.000 0.222 236 A C 2.241 179.652 177.584 -0.289 0.000 1.167 236 A CA 1.883 53.564 52.037 -0.593 0.000 0.649 236 A CB -0.679 18.286 19.000 -0.058 0.000 0.809 236 A HN 0.457 nan 8.150 nan 0.000 0.457 237 K N -0.596 119.655 120.400 -0.248 0.000 2.360 237 K HA 0.017 4.337 4.320 -0.000 0.000 0.201 237 K C 1.361 177.828 176.600 -0.223 0.000 1.046 237 K CA 1.004 57.176 56.287 -0.192 0.000 0.945 237 K CB -0.265 32.122 32.500 -0.188 0.000 0.750 237 K HN 0.541 nan 8.250 nan 0.000 0.464 238 L N -0.529 120.506 121.223 -0.314 0.000 2.446 238 L HA 0.045 4.385 4.340 -0.000 0.000 0.219 238 L C 0.549 177.118 176.870 -0.501 0.000 1.116 238 L CA 0.254 54.842 54.840 -0.420 0.000 0.844 238 L CB -0.044 41.683 42.059 -0.553 0.000 0.970 238 L HN 0.041 nan 8.230 nan 0.000 0.457 239 Y N -1.068 119.087 120.300 -0.242 0.000 2.596 239 Y HA 0.211 4.761 4.550 -0.000 0.000 0.326 239 Y C 1.331 177.216 175.900 -0.025 0.000 1.167 239 Y CA -0.409 57.617 58.100 -0.122 0.000 1.246 239 Y CB 1.348 39.732 38.460 -0.127 0.000 1.347 239 Y HN -0.169 nan 8.280 nan 0.000 0.515 240 S N -1.852 113.996 115.700 0.247 0.000 2.666 240 S HA 0.252 4.722 4.470 -0.000 0.000 0.239 240 S C -0.013 174.742 174.600 0.257 0.000 1.031 240 S CA 0.197 58.512 58.200 0.191 0.000 1.015 240 S CB 0.282 63.554 63.200 0.120 0.000 0.981 240 S HN 0.714 nan 8.310 nan 0.000 0.547 241 T N 1.351 116.094 114.554 0.315 0.000 3.047 241 T HA 0.546 4.896 4.350 -0.000 0.000 0.340 241 T C -1.953 172.977 174.700 0.383 0.000 1.421 241 T CA -0.671 61.615 62.100 0.309 0.000 1.090 241 T CB 1.326 70.248 68.868 0.089 0.000 1.292 241 T HN 0.634 nan 8.240 nan 0.000 0.480 242 W N 2.386 123.809 121.300 0.204 0.000 3.029 242 W HA 0.790 5.450 4.660 -0.000 0.000 0.339 242 W C -1.483 175.009 176.519 -0.046 0.000 1.198 242 W CA -0.811 56.522 57.345 -0.020 0.000 1.148 242 W CB 0.865 30.348 29.460 0.038 0.000 1.451 242 W HN 1.207 nan 8.180 nan 0.000 0.564 243 S N 0.737 116.427 115.700 -0.015 0.000 2.578 243 S HA 0.770 5.240 4.470 -0.000 0.000 0.272 243 S C -0.493 174.047 174.600 -0.100 0.000 1.145 243 S CA -0.100 58.058 58.200 -0.071 0.000 0.835 243 S CB 1.157 64.273 63.200 -0.140 0.000 1.104 243 S HN 2.312 nan 8.310 nan 0.000 0.458 244 G N -0.410 108.470 108.800 0.133 0.000 2.570 244 G HA2 0.465 4.425 3.960 -0.000 0.000 0.686 244 G HA3 0.465 4.425 3.960 -0.000 0.000 0.686 244 G C -0.054 175.122 174.900 0.459 0.000 1.257 244 G CA -0.171 45.037 45.100 0.179 0.000 0.846 244 G HN 1.715 nan 8.290 nan 0.000 0.627 245 G N -1.269 107.739 108.800 0.345 0.000 2.531 245 G HA2 0.800 4.760 3.960 -0.000 0.000 0.313 245 G HA3 0.800 4.760 3.960 -0.000 0.000 0.313 245 G C -0.332 174.695 174.900 0.212 0.000 1.238 245 G CA -0.821 44.459 45.100 0.299 0.000 0.994 245 G HN 1.049 nan 8.290 nan 0.000 0.493 246 I N 0.215 120.836 120.570 0.086 0.000 2.569 246 I HA 0.226 4.396 4.170 -0.000 0.000 0.290 246 I C -1.228 174.882 176.117 -0.011 0.000 1.088 246 I CA -0.897 60.372 61.300 -0.051 0.000 1.047 246 I CB 2.478 40.371 38.000 -0.178 0.000 1.237 246 I HN 0.278 nan 8.210 nan 0.000 0.421 247 D N 4.709 125.097 120.400 -0.019 0.000 2.313 247 D HA 0.490 5.130 4.640 -0.000 0.000 0.247 247 D C -0.404 175.946 176.300 0.083 0.000 1.094 247 D CA -0.011 54.022 54.000 0.053 0.000 0.925 247 D CB 1.819 42.679 40.800 0.100 0.000 1.188 247 D HN 0.027 nan 8.370 nan 0.000 0.430 248 V N 1.209 121.086 119.914 -0.061 0.000 2.876 248 V HA 0.556 4.676 4.120 -0.000 0.000 0.312 248 V C -0.254 175.573 176.094 -0.446 0.000 1.085 248 V CA -0.956 61.191 62.300 -0.256 0.000 0.945 248 V CB 2.349 33.849 31.823 -0.540 0.000 1.017 248 V HN 0.433 nan 8.190 nan 0.000 0.428 249 R N 3.146 123.334 120.500 -0.520 0.000 2.539 249 R HA 0.552 4.892 4.340 -0.000 0.000 0.295 249 R C -1.612 174.525 176.300 -0.271 0.000 1.138 249 R CA -0.410 55.312 56.100 -0.629 0.000 0.936 249 R CB 1.252 30.750 30.300 -1.336 0.000 1.182 249 R HN 0.734 nan 8.270 nan 0.000 0.459 250 F N 0.639 120.407 119.950 -0.304 0.000 2.538 250 F HA 0.793 5.320 4.527 -0.000 0.000 0.325 250 F C -0.895 174.759 175.800 -0.243 0.000 1.066 250 F CA -0.814 57.030 58.000 -0.259 0.000 0.946 250 F CB 2.455 41.307 39.000 -0.246 0.000 1.199 250 F HN 0.236 nan 8.300 nan 0.000 0.473 251 T N 2.501 116.759 114.554 -0.494 0.000 2.916 251 T HA 0.613 4.963 4.350 -0.000 0.000 0.305 251 T C -1.787 172.606 174.700 -0.510 0.000 1.119 251 T CA -0.511 61.233 62.100 -0.594 0.000 1.008 251 T CB 1.581 70.336 68.868 -0.188 0.000 1.129 251 T HN 0.677 nan 8.240 nan 0.000 0.480 252 V N 3.496 123.048 119.914 -0.603 0.000 2.483 252 V HA 0.625 4.745 4.120 -0.000 0.000 0.295 252 V C 0.426 176.547 176.094 0.046 0.000 1.035 252 V CA -0.655 61.538 62.300 -0.178 0.000 0.896 252 V CB 1.774 33.571 31.823 -0.045 0.000 0.986 252 V HN 0.929 nan 8.190 nan 0.000 0.447 253 S N 3.412 119.167 115.700 0.092 0.000 2.468 253 S HA 0.628 5.098 4.470 -0.000 0.000 0.190 253 S C 0.186 174.853 174.600 0.112 0.000 1.445 253 S CA -0.182 58.070 58.200 0.086 0.000 1.084 253 S CB -0.310 62.923 63.200 0.055 0.000 1.175 253 S HN 1.036 nan 8.310 nan 0.000 0.484 254 G N 1.068 109.943 108.800 0.126 0.000 2.597 254 G HA2 0.553 4.513 3.960 -0.000 0.000 0.317 254 G HA3 0.553 4.513 3.960 -0.000 0.000 0.317 254 G C -0.511 174.273 174.900 -0.193 0.000 1.230 254 G CA -0.658 44.491 45.100 0.081 0.000 0.996 254 G HN 0.545 nan 8.290 nan 0.000 0.490 255 S N -1.060 114.211 115.700 -0.716 0.000 2.565 255 S HA 0.392 4.862 4.470 -0.000 0.000 0.276 255 S C 1.800 176.165 174.600 -0.391 0.000 1.326 255 S CA 0.338 58.125 58.200 -0.688 0.000 1.045 255 S CB 0.935 63.455 63.200 -1.134 0.000 0.918 255 S HN 1.097 nan 8.310 nan 0.000 0.505 256 G N 2.780 111.455 108.800 -0.210 0.000 2.479 256 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.220 256 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.220 256 G C 1.127 175.998 174.900 -0.048 0.000 1.115 256 G CA 0.900 45.949 45.100 -0.084 0.000 0.757 256 G HN 0.663 nan 8.290 nan 0.000 0.560 257 V N 0.344 120.189 119.914 -0.115 0.000 2.719 257 V HA 0.142 4.262 4.120 -0.000 0.000 0.252 257 V C 1.638 177.849 176.094 0.195 0.000 1.065 257 V CA 0.253 62.570 62.300 0.027 0.000 1.086 257 V CB -0.507 31.309 31.823 -0.011 0.000 0.700 257 V HN 0.319 nan 8.190 nan 0.000 0.467 258 F N 0.131 120.080 119.950 -0.003 0.000 2.514 258 F HA 0.444 4.971 4.527 -0.000 0.000 0.309 258 F C 1.037 176.839 175.800 0.003 0.000 1.279 258 F CA 0.342 58.326 58.000 -0.027 0.000 1.304 258 F CB 0.221 39.171 39.000 -0.083 0.000 1.223 258 F HN 0.192 nan 8.300 nan 0.000 0.563 259 G N -0.730 108.185 108.800 0.192 0.000 2.759 259 G HA2 0.530 4.490 3.960 -0.000 0.000 0.297 259 G HA3 0.530 4.490 3.960 -0.000 0.000 0.297 259 G C -1.240 173.716 174.900 0.092 0.000 1.434 259 G CA -0.141 45.040 45.100 0.134 0.000 0.980 259 G HN 0.994 nan 8.290 nan 0.000 0.531 260 G N 0.878 109.796 108.800 0.196 0.000 2.312 260 G HA2 0.408 4.368 3.960 -0.000 0.000 0.322 260 G HA3 0.408 4.368 3.960 -0.000 0.000 0.322 260 G C -1.228 173.990 174.900 0.530 0.000 1.645 260 G CA -1.052 44.238 45.100 0.316 0.000 0.919 260 G HN 0.547 nan 8.290 nan 0.000 0.699 261 K N 0.041 120.742 120.400 0.502 0.000 2.095 261 K HA 0.828 5.148 4.320 -0.000 0.000 0.252 261 K C -0.688 176.163 176.600 0.418 0.000 0.977 261 K CA -0.824 55.740 56.287 0.462 0.000 0.900 261 K CB 2.304 35.077 32.500 0.454 0.000 1.060 261 K HN 0.418 nan 8.250 nan 0.000 0.449 262 L N 0.299 121.673 121.223 0.250 0.000 2.409 262 L HA 0.592 4.932 4.340 -0.000 0.000 0.262 262 L C -1.339 175.595 176.870 0.108 0.000 0.992 262 L CA -0.446 54.415 54.840 0.035 0.000 0.817 262 L CB 2.103 44.053 42.059 -0.181 0.000 1.350 262 L HN 0.783 nan 8.230 nan 0.000 0.411 263 A N 2.565 125.421 122.820 0.059 0.000 2.386 263 A HA 0.975 5.295 4.320 -0.000 0.000 0.311 263 A C -1.238 176.347 177.584 0.001 0.000 1.068 263 A CA -0.133 51.935 52.037 0.052 0.000 0.743 263 A CB 1.610 20.640 19.000 0.050 0.000 1.258 263 A HN 0.925 nan 8.150 nan 0.000 0.429 264 A N 2.287 125.093 122.820 -0.023 0.000 2.343 264 A HA 0.771 5.091 4.320 -0.000 0.000 0.316 264 A C -0.717 176.783 177.584 -0.140 0.000 1.104 264 A CA -0.472 51.474 52.037 -0.150 0.000 0.768 264 A CB 0.788 19.606 19.000 -0.304 0.000 1.213 264 A HN 1.747 nan 8.150 nan 0.000 0.456 265 L N 0.658 121.836 121.223 -0.075 0.000 2.415 265 L HA 0.692 5.032 4.340 -0.000 0.000 0.256 265 L C -1.562 175.332 176.870 0.040 0.000 1.010 265 L CA -1.084 53.759 54.840 0.004 0.000 0.826 265 L CB 0.924 43.088 42.059 0.175 0.000 1.405 265 L HN 0.374 nan 8.230 nan 0.000 0.410 266 L N 3.623 124.914 121.223 0.113 0.000 2.265 266 L HA 0.537 4.877 4.340 -0.000 0.000 0.289 266 L C 0.261 177.255 176.870 0.207 0.000 1.033 266 L CA -0.493 54.428 54.840 0.134 0.000 0.814 266 L CB 1.216 43.347 42.059 0.120 0.000 1.203 266 L HN 0.624 nan 8.230 nan 0.000 0.423 267 V N 3.477 123.443 119.914 0.087 0.000 2.427 267 V HA 0.666 4.786 4.120 -0.000 0.000 0.286 267 V C -2.151 173.974 176.094 0.053 0.000 1.034 267 V CA -1.801 60.515 62.300 0.026 0.000 0.893 267 V CB 1.213 32.981 31.823 -0.092 0.000 0.982 267 V HN 0.576 nan 8.190 nan 0.000 0.452 268 P HA 0.301 nan 4.420 nan 0.000 0.272 268 P C -2.663 174.659 177.300 0.037 0.000 1.240 268 P CA -1.306 61.836 63.100 0.070 0.000 0.791 268 P CB 0.015 31.765 31.700 0.082 0.000 0.978 269 P HA 0.064 nan 4.420 nan 0.000 0.274 269 P C 0.770 178.079 177.300 0.014 0.000 1.237 269 P CA 0.616 63.736 63.100 0.032 0.000 0.793 269 P CB 0.062 31.793 31.700 0.053 0.000 0.977 270 G N -0.251 108.552 108.800 0.004 0.000 2.157 270 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.248 270 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.248 270 G C -0.262 174.628 174.900 -0.017 0.000 0.979 270 G CA 0.021 45.117 45.100 -0.006 0.000 0.650 270 G HN 0.561 nan 8.290 nan 0.000 0.529 271 V N -0.043 119.856 119.914 -0.024 0.000 2.656 271 V HA 0.709 4.829 4.120 -0.000 0.000 0.307 271 V C -0.256 175.807 176.094 -0.052 0.000 1.051 271 V CA -0.913 61.361 62.300 -0.043 0.000 0.893 271 V CB 1.977 33.765 31.823 -0.059 0.000 0.999 271 V HN 0.336 nan 8.190 nan 0.000 0.426 272 E N 5.223 125.389 120.200 -0.057 0.000 2.151 272 E HA 0.621 4.971 4.350 -0.000 0.000 0.275 272 E C -2.580 173.975 176.600 -0.074 0.000 0.936 272 E CA -1.728 54.636 56.400 -0.060 0.000 0.777 272 E CB 1.662 31.333 29.700 -0.049 0.000 1.108 272 E HN 0.491 nan 8.360 nan 0.000 0.401 273 P HA 0.204 nan 4.420 nan 0.000 0.271 273 P C -0.902 176.355 177.300 -0.071 0.000 1.244 273 P CA -0.301 62.743 63.100 -0.093 0.000 0.793 273 P CB 0.494 32.136 31.700 -0.096 0.000 0.984 274 I N 0.462 120.991 120.570 -0.068 0.000 2.656 274 I HA 0.113 4.283 4.170 -0.000 0.000 0.292 274 I C -0.022 176.074 176.117 -0.035 0.000 1.144 274 I CA -0.664 60.608 61.300 -0.046 0.000 1.038 274 I CB 1.922 39.894 38.000 -0.046 0.000 1.244 274 I HN 0.401 nan 8.210 nan 0.000 0.420 275 E N 3.424 123.614 120.200 -0.016 0.000 1.842 275 E HA 0.194 4.544 4.350 -0.000 0.000 0.278 275 E C -0.187 176.410 176.600 -0.005 0.000 1.171 275 E CA 0.083 56.482 56.400 -0.003 0.000 1.127 275 E CB 0.487 30.198 29.700 0.018 0.000 1.100 275 E HN 0.396 nan 8.360 nan 0.000 0.456 276 S N 0.826 116.516 115.700 -0.016 0.000 2.588 276 S HA 0.223 4.693 4.470 -0.000 0.000 0.275 276 S C 0.850 175.437 174.600 -0.021 0.000 1.130 276 S CA -0.828 57.362 58.200 -0.017 0.000 0.855 276 S CB 1.638 64.825 63.200 -0.023 0.000 1.116 276 S HN 0.144 nan 8.310 nan 0.000 0.472 277 V N 3.399 123.299 119.914 -0.023 0.000 2.667 277 V HA -0.070 4.050 4.120 -0.000 0.000 0.252 277 V C 2.625 178.699 176.094 -0.033 0.000 1.065 277 V CA 1.915 64.195 62.300 -0.033 0.000 1.083 277 V CB -1.359 30.434 31.823 -0.049 0.000 0.692 277 V HN 0.946 nan 8.190 nan 0.000 0.468 278 S N 0.329 116.012 115.700 -0.028 0.000 2.400 278 S HA -0.241 4.229 4.470 -0.000 0.000 0.232 278 S C 1.891 176.474 174.600 -0.028 0.000 1.025 278 S CA 1.537 59.724 58.200 -0.022 0.000 0.993 278 S CB -0.589 62.598 63.200 -0.021 0.000 0.808 278 S HN 0.471 nan 8.310 nan 0.000 0.478 279 M N 0.832 120.403 119.600 -0.048 0.000 2.435 279 M HA 0.046 4.526 4.480 -0.000 0.000 0.262 279 M C 1.652 177.924 176.300 -0.047 0.000 1.065 279 M CA 0.963 56.216 55.300 -0.078 0.000 1.076 279 M CB -0.993 31.553 32.600 -0.091 0.000 1.403 279 M HN 0.408 nan 8.290 nan 0.000 0.454 280 L N -0.525 120.669 121.223 -0.048 0.000 2.492 280 L HA -0.093 4.247 4.340 -0.000 0.000 0.223 280 L C 1.273 178.093 176.870 -0.082 0.000 1.132 280 L CA 0.327 55.088 54.840 -0.131 0.000 0.850 280 L CB -0.269 41.754 42.059 -0.061 0.000 0.966 280 L HN 0.321 nan 8.230 nan 0.000 0.454 281 Q N -0.064 119.755 119.800 0.032 0.000 2.404 281 Q HA 0.088 4.428 4.340 -0.000 0.000 0.272 281 Q C -0.992 175.117 176.000 0.181 0.000 0.939 281 Q CA 0.058 55.914 55.803 0.089 0.000 0.945 281 Q CB -0.132 28.645 28.738 0.065 0.000 1.195 281 Q HN 0.290 nan 8.270 nan 0.000 0.415 282 Y N 0.577 120.883 120.300 0.011 0.000 2.544 282 Y HA 0.322 4.872 4.550 -0.000 0.000 0.342 282 Y C -2.607 173.373 175.900 0.134 0.000 1.062 282 Y CA -2.638 55.486 58.100 0.040 0.000 1.023 282 Y CB 1.816 40.276 38.460 0.001 0.000 1.308 282 Y HN -0.002 nan 8.280 nan 0.000 0.457 283 P HA 0.063 nan 4.420 nan 0.000 0.262 283 P C -1.199 176.139 177.300 0.063 0.000 1.182 283 P CA 1.084 64.105 63.100 -0.131 0.000 0.761 283 P CB 0.326 31.815 31.700 -0.351 0.000 0.795 284 H N 0.319 119.321 119.070 -0.114 0.000 2.966 284 H HA 0.523 5.079 4.556 -0.000 0.000 0.330 284 H C -1.404 173.829 175.328 -0.159 0.000 1.292 284 H CA -1.186 54.792 56.048 -0.117 0.000 1.127 284 H CB 0.613 30.340 29.762 -0.059 0.000 1.863 284 H HN 0.088 nan 8.280 nan 0.000 0.543 285 V N 1.857 121.681 119.914 -0.150 0.000 2.435 285 V HA 0.220 4.340 4.120 -0.000 0.000 0.290 285 V C -0.234 175.844 176.094 -0.027 0.000 1.030 285 V CA -0.810 61.403 62.300 -0.145 0.000 0.881 285 V CB 1.385 33.144 31.823 -0.107 0.000 0.983 285 V HN 0.421 nan 8.190 nan 0.000 0.445 286 L N 4.741 125.915 121.223 -0.082 0.000 2.289 286 L HA 0.551 4.891 4.340 -0.000 0.000 0.285 286 L C -0.701 176.219 176.870 0.083 0.000 1.049 286 L CA 0.042 54.848 54.840 -0.057 0.000 0.804 286 L CB 0.860 42.814 42.059 -0.175 0.000 1.195 286 L HN 0.611 nan 8.230 nan 0.000 0.428 287 F N 3.259 123.244 119.950 0.060 0.000 2.579 287 F HA 0.295 4.822 4.527 -0.000 0.000 0.325 287 F C -0.119 175.753 175.800 0.120 0.000 1.162 287 F CA -0.774 57.268 58.000 0.071 0.000 0.946 287 F CB 1.290 40.346 39.000 0.094 0.000 1.211 287 F HN 0.458 nan 8.300 nan 0.000 0.447 288 D N 3.915 124.399 120.400 0.140 0.000 2.255 288 D HA 0.282 4.922 4.640 -0.000 0.000 0.249 288 D C 0.829 177.420 176.300 0.486 0.000 1.078 288 D CA 0.263 54.431 54.000 0.280 0.000 0.896 288 D CB 2.265 43.126 40.800 0.102 0.000 1.194 288 D HN 0.741 nan 8.370 nan 0.000 0.429 289 A N 4.445 127.577 122.820 0.520 0.000 2.070 289 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 289 A C 1.899 179.692 177.584 0.348 0.000 1.159 289 A CA 1.106 53.454 52.037 0.518 0.000 0.656 289 A CB -0.136 19.087 19.000 0.372 0.000 0.800 289 A HN 0.658 nan 8.150 nan 0.000 0.453 290 R N -0.281 120.365 120.500 0.243 0.000 2.297 290 R HA 0.087 4.427 4.340 -0.000 0.000 0.197 290 R C 0.131 176.494 176.300 0.106 0.000 0.943 290 R CA -0.033 56.154 56.100 0.146 0.000 1.038 290 R CB 0.069 30.428 30.300 0.098 0.000 0.957 290 R HN 0.640 nan 8.270 nan 0.000 0.484 291 Q N 0.022 119.887 119.800 0.109 0.000 2.352 291 Q HA 0.046 4.386 4.340 -0.000 0.000 0.260 291 Q C 0.354 176.410 176.000 0.094 0.000 0.976 291 Q CA 0.391 56.170 55.803 -0.040 0.000 0.881 291 Q CB 1.358 29.782 28.738 -0.524 0.000 1.235 291 Q HN 0.006 nan 8.270 nan 0.000 0.419 292 T N 0.454 115.021 114.554 0.021 0.000 3.071 292 T HA -0.040 4.310 4.350 -0.000 0.000 0.239 292 T C 0.073 174.806 174.700 0.055 0.000 0.997 292 T CA 0.044 62.180 62.100 0.060 0.000 1.134 292 T CB 0.182 69.063 68.868 0.022 0.000 0.928 292 T HN 0.521 nan 8.240 nan 0.000 0.453 293 E N 4.318 124.510 120.200 -0.014 0.000 2.493 293 E HA 0.072 4.422 4.350 -0.000 0.000 0.255 293 E C -2.369 174.230 176.600 -0.002 0.000 0.999 293 E CA -1.743 54.642 56.400 -0.025 0.000 0.934 293 E CB 0.407 30.069 29.700 -0.064 0.000 0.940 293 E HN 0.185 nan 8.360 nan 0.000 0.473 294 P HA 0.041 nan 4.420 nan 0.000 0.274 294 P C -0.744 176.556 177.300 0.001 0.000 1.231 294 P CA -0.369 62.756 63.100 0.041 0.000 0.790 294 P CB 1.019 32.682 31.700 -0.063 0.000 0.951 295 V N 3.696 123.628 119.914 0.030 0.000 2.617 295 V HA 0.359 4.479 4.120 -0.000 0.000 0.298 295 V C 0.568 176.696 176.094 0.056 0.000 1.048 295 V CA -0.517 61.821 62.300 0.063 0.000 0.964 295 V CB 1.090 33.020 31.823 0.179 0.000 1.004 295 V HN 0.391 nan 8.190 nan 0.000 0.466 296 I N 5.448 126.082 120.570 0.107 0.000 2.499 296 I HA 0.576 4.746 4.170 -0.000 0.000 0.288 296 I C -0.757 175.471 176.117 0.185 0.000 1.048 296 I CA -0.283 61.033 61.300 0.027 0.000 1.062 296 I CB 1.513 39.534 38.000 0.035 0.000 1.238 296 I HN 0.693 nan 8.210 nan 0.000 0.426 297 F N 2.417 122.448 119.950 0.135 0.000 2.869 297 F HA 0.791 5.318 4.527 -0.000 0.000 0.325 297 F C -0.924 174.952 175.800 0.126 0.000 1.184 297 F CA -0.935 57.137 58.000 0.120 0.000 0.951 297 F CB 1.383 40.450 39.000 0.111 0.000 1.421 297 F HN 0.098 nan 8.300 nan 0.000 0.501 298 T N 1.693 116.494 114.554 0.411 0.000 2.861 298 T HA 0.570 4.920 4.350 -0.000 0.000 0.287 298 T C -0.584 174.303 174.700 0.312 0.000 1.003 298 T CA -0.452 61.796 62.100 0.246 0.000 0.977 298 T CB 1.486 70.454 68.868 0.166 0.000 0.996 298 T HN 0.546 nan 8.240 nan 0.000 0.448 299 I N 5.836 126.539 120.570 0.221 0.000 2.308 299 I HA 0.244 4.414 4.170 -0.000 0.000 0.293 299 I C -1.805 174.415 176.117 0.172 0.000 1.078 299 I CA -2.080 59.346 61.300 0.210 0.000 1.292 299 I CB 0.645 38.740 38.000 0.159 0.000 1.423 299 I HN 0.293 nan 8.210 nan 0.000 0.493 300 P HA 0.018 nan 4.420 nan 0.000 0.272 300 P C -0.824 176.579 177.300 0.171 0.000 1.240 300 P CA -0.198 62.991 63.100 0.149 0.000 0.791 300 P CB 1.150 32.922 31.700 0.120 0.000 0.978 301 D N 1.515 122.022 120.400 0.178 0.000 2.493 301 D HA 0.316 4.956 4.640 -0.000 0.000 0.235 301 D C -0.529 175.863 176.300 0.153 0.000 1.117 301 D CA -0.538 53.594 54.000 0.220 0.000 0.930 301 D CB -0.837 40.134 40.800 0.285 0.000 1.010 301 D HN 0.023 nan 8.370 nan 0.000 0.514 302 I N 3.593 124.245 120.570 0.137 0.000 2.474 302 I HA 0.369 4.539 4.170 -0.000 0.000 0.287 302 I C 0.569 176.733 176.117 0.078 0.000 1.048 302 I CA 0.002 61.354 61.300 0.085 0.000 1.383 302 I CB 0.747 38.794 38.000 0.078 0.000 1.412 302 I HN 0.357 nan 8.210 nan 0.000 0.531 303 R N 3.831 124.331 120.500 0.001 0.000 2.594 303 R HA 0.509 4.848 4.340 -0.000 0.000 0.265 303 R C -0.387 175.846 176.300 -0.111 0.000 1.070 303 R CA -0.949 55.108 56.100 -0.072 0.000 0.909 303 R CB 1.125 31.261 30.300 -0.273 0.000 1.243 303 R HN 0.300 nan 8.270 nan 0.000 0.455 304 K N 0.326 120.657 120.400 -0.113 0.000 2.167 304 K HA -0.007 4.313 4.320 -0.000 0.000 0.203 304 K C 0.674 177.179 176.600 -0.159 0.000 1.052 304 K CA 1.568 57.790 56.287 -0.109 0.000 0.956 304 K CB 0.176 32.624 32.500 -0.085 0.000 0.735 304 K HN 0.795 nan 8.250 nan 0.000 0.451 305 T N -1.876 112.533 114.554 -0.242 0.000 2.788 305 T HA 0.181 4.530 4.350 -0.000 0.000 0.280 305 T C 1.300 175.810 174.700 -0.317 0.000 0.984 305 T CA -0.576 61.335 62.100 -0.314 0.000 0.972 305 T CB 0.762 69.360 68.868 -0.450 0.000 1.039 305 T HN -0.054 nan 8.240 nan 0.000 0.530 306 L N -0.327 120.705 121.223 -0.319 0.000 2.240 306 L HA 0.264 4.604 4.340 -0.000 0.000 0.211 306 L C 0.348 177.161 176.870 -0.095 0.000 1.106 306 L CA 0.681 55.430 54.840 -0.152 0.000 0.793 306 L CB -0.393 41.662 42.059 -0.008 0.000 0.927 306 L HN 0.769 nan 8.230 nan 0.000 0.446 307 F N -4.213 115.551 119.950 -0.309 0.000 2.719 307 F HA 0.463 4.990 4.527 -0.000 0.000 0.309 307 F C -0.624 174.870 175.800 -0.511 0.000 1.138 307 F CA -1.388 56.368 58.000 -0.406 0.000 0.943 307 F CB 0.670 39.525 39.000 -0.242 0.000 1.304 307 F HN -0.238 nan 8.300 nan 0.000 0.445 308 H N 1.455 120.329 119.070 -0.328 0.000 2.548 308 H HA 0.468 5.024 4.556 -0.000 0.000 0.331 308 H C -0.057 175.163 175.328 -0.180 0.000 1.093 308 H CA -0.012 55.718 56.048 -0.530 0.000 1.367 308 H CB 1.880 30.835 29.762 -1.344 0.000 1.455 308 H HN 0.823 nan 8.280 nan 0.000 0.519 309 S N 1.789 117.526 115.700 0.062 0.000 2.652 309 S HA 0.079 4.549 4.470 -0.000 0.000 0.270 309 S C 1.367 176.123 174.600 0.260 0.000 1.243 309 S CA -0.807 57.515 58.200 0.203 0.000 0.999 309 S CB 1.296 64.595 63.200 0.164 0.000 0.973 309 S HN 0.514 nan 8.310 nan 0.000 0.544 310 M N 1.852 121.636 119.600 0.306 0.000 2.358 310 M HA -0.086 4.394 4.480 -0.000 0.000 0.264 310 M C 1.628 178.096 176.300 0.280 0.000 1.064 310 M CA 1.430 56.941 55.300 0.351 0.000 1.093 310 M CB -0.823 31.932 32.600 0.259 0.000 1.401 310 M HN 0.882 nan 8.290 nan 0.000 0.440 311 D N -1.389 119.144 120.400 0.221 0.000 2.249 311 D HA -0.093 4.547 4.640 -0.000 0.000 0.205 311 D C 0.012 176.421 176.300 0.182 0.000 0.962 311 D CA 0.167 54.281 54.000 0.189 0.000 0.860 311 D CB -0.560 40.358 40.800 0.197 0.000 0.955 311 D HN 0.338 nan 8.370 nan 0.000 0.505 312 E N 0.582 120.891 120.200 0.182 0.000 2.502 312 E HA 0.004 4.354 4.350 -0.000 0.000 0.261 312 E C 0.719 177.421 176.600 0.169 0.000 0.974 312 E CA 0.742 57.230 56.400 0.146 0.000 0.936 312 E CB 0.712 30.497 29.700 0.141 0.000 0.926 312 E HN 0.385 nan 8.360 nan 0.000 0.459 313 T N -1.712 112.916 114.554 0.124 0.000 2.986 313 T HA -0.012 4.338 4.350 -0.000 0.000 0.264 313 T C 0.361 175.111 174.700 0.084 0.000 0.964 313 T CA -0.454 61.718 62.100 0.121 0.000 0.895 313 T CB 0.336 69.275 68.868 0.118 0.000 1.163 313 T HN 0.221 nan 8.240 nan 0.000 0.517 314 D N 3.842 124.283 120.400 0.068 0.000 2.508 314 D HA 0.289 4.929 4.640 -0.000 0.000 0.224 314 D C 0.136 176.478 176.300 0.071 0.000 1.171 314 D CA 0.318 54.350 54.000 0.053 0.000 1.006 314 D CB 0.145 40.967 40.800 0.037 0.000 1.073 314 D HN 0.627 nan 8.370 nan 0.000 0.513 315 T N -1.131 113.465 114.554 0.069 0.000 2.888 315 T HA 0.436 4.786 4.350 -0.000 0.000 0.288 315 T C 0.309 175.060 174.700 0.086 0.000 1.063 315 T CA -0.838 61.317 62.100 0.092 0.000 1.010 315 T CB 0.983 69.910 68.868 0.099 0.000 1.214 315 T HN 0.035 nan 8.240 nan 0.000 0.533 316 T N 2.000 116.622 114.554 0.114 0.000 2.923 316 T HA 0.170 4.520 4.350 -0.000 0.000 0.304 316 T C -0.038 174.703 174.700 0.068 0.000 1.044 316 T CA 0.246 62.405 62.100 0.098 0.000 1.141 316 T CB -0.007 68.938 68.868 0.128 0.000 1.023 316 T HN 0.659 nan 8.240 nan 0.000 0.533 317 K N 2.014 122.437 120.400 0.038 0.000 2.324 317 K HA 0.533 4.853 4.320 -0.000 0.000 0.253 317 K C -1.103 175.497 176.600 -0.000 0.000 0.932 317 K CA -0.976 55.307 56.287 -0.007 0.000 0.799 317 K CB 1.043 33.514 32.500 -0.047 0.000 1.154 317 K HN 0.346 nan 8.250 nan 0.000 0.425 318 L N 4.665 125.877 121.223 -0.018 0.000 2.292 318 L HA 0.464 4.804 4.340 -0.000 0.000 0.284 318 L C -1.477 175.354 176.870 -0.064 0.000 1.065 318 L CA -0.168 54.690 54.840 0.031 0.000 0.806 318 L CB 1.549 43.689 42.059 0.135 0.000 1.175 318 L HN 0.369 nan 8.230 nan 0.000 0.431 319 V N 6.871 126.767 119.914 -0.029 0.000 2.531 319 V HA 0.471 4.591 4.120 -0.000 0.000 0.301 319 V C -0.162 175.913 176.094 -0.032 0.000 1.034 319 V CA -0.412 61.850 62.300 -0.063 0.000 0.865 319 V CB 1.785 33.563 31.823 -0.076 0.000 0.995 319 V HN 0.645 nan 8.190 nan 0.000 0.424 320 I N 5.783 126.350 120.570 -0.004 0.000 2.354 320 I HA 0.489 4.659 4.170 -0.000 0.000 0.286 320 I C -0.124 175.948 176.117 -0.076 0.000 1.007 320 I CA -0.056 61.195 61.300 -0.082 0.000 1.167 320 I CB 1.351 39.264 38.000 -0.144 0.000 1.320 320 I HN 0.584 nan 8.210 nan 0.000 0.458 321 M N 6.219 125.776 119.600 -0.072 0.000 2.644 321 M HA 0.539 5.019 4.480 -0.000 0.000 0.316 321 M C -1.262 175.011 176.300 -0.046 0.000 1.200 321 M CA -0.695 54.582 55.300 -0.039 0.000 0.944 321 M CB 2.267 34.865 32.600 -0.004 0.000 1.691 321 M HN 0.199 nan 8.290 nan 0.000 0.471 322 V N 4.283 124.193 119.914 -0.006 0.000 2.408 322 V HA 0.043 4.163 4.120 -0.000 0.000 0.267 322 V C -0.067 176.126 176.094 0.164 0.000 1.047 322 V CA 0.094 62.418 62.300 0.039 0.000 0.937 322 V CB 0.605 32.499 31.823 0.119 0.000 0.999 322 V HN 0.930 nan 8.190 nan 0.000 0.472 323 Y N 4.679 125.015 120.300 0.060 0.000 2.177 323 Y HA 0.188 4.738 4.550 -0.000 0.000 0.291 323 Y C 1.138 177.113 175.900 0.124 0.000 1.117 323 Y CA 1.089 59.242 58.100 0.088 0.000 1.114 323 Y CB 0.522 39.054 38.460 0.121 0.000 1.017 323 Y HN 0.531 nan 8.280 nan 0.000 0.505 324 N N 1.776 120.666 118.700 0.317 0.000 2.399 324 N HA 0.088 4.827 4.740 -0.000 0.000 0.284 324 N C -1.494 174.200 175.510 0.306 0.000 1.025 324 N CA -0.458 52.724 53.050 0.220 0.000 0.885 324 N CB 1.246 39.874 38.487 0.235 0.000 1.339 324 N HN 0.245 nan 8.380 nan 0.000 0.487 325 E N 1.356 121.684 120.200 0.213 0.000 2.708 325 E HA -0.137 4.213 4.350 -0.000 0.000 0.260 325 E C 0.047 176.730 176.600 0.140 0.000 0.937 325 E CA -0.184 56.341 56.400 0.209 0.000 0.953 325 E CB 0.776 30.539 29.700 0.105 0.000 0.915 325 E HN 0.345 nan 8.360 nan 0.000 0.487 326 L N 4.472 125.709 121.223 0.024 0.000 2.455 326 L HA 0.177 4.517 4.340 -0.000 0.000 0.272 326 L C -0.008 176.693 176.870 -0.280 0.000 1.174 326 L CA 0.158 54.780 54.840 -0.363 0.000 0.869 326 L CB 0.026 41.425 42.059 -1.101 0.000 1.130 326 L HN 0.590 nan 8.230 nan 0.000 0.474 327 I N 1.788 122.229 120.570 -0.216 0.000 2.957 327 I HA 0.588 4.758 4.170 -0.000 0.000 0.310 327 I C -0.928 175.116 176.117 -0.123 0.000 1.063 327 I CA -0.901 60.318 61.300 -0.135 0.000 1.033 327 I CB 2.128 40.113 38.000 -0.025 0.000 1.230 327 I HN 0.747 nan 8.210 nan 0.000 0.447 328 N N 3.356 122.035 118.700 -0.034 0.000 2.478 328 N HA 0.413 5.153 4.740 -0.000 0.000 0.291 328 N C -2.536 173.099 175.510 0.209 0.000 1.090 328 N CA -1.374 51.750 53.050 0.124 0.000 0.911 328 N CB 2.631 41.146 38.487 0.047 0.000 1.546 328 N HN 0.400 nan 8.380 nan 0.000 0.500 329 P HA 0.072 nan 4.420 nan 0.000 0.269 329 P C -1.374 175.891 177.300 -0.059 0.000 1.376 329 P CA 0.675 63.840 63.100 0.109 0.000 0.775 329 P CB -0.412 31.305 31.700 0.029 0.000 1.345 330 Y N -0.434 119.886 120.300 0.034 0.000 2.402 330 Y HA 0.217 4.767 4.550 -0.000 0.000 0.325 330 Y C 0.753 176.661 175.900 0.014 0.000 1.009 330 Y CA -1.611 56.506 58.100 0.028 0.000 1.278 330 Y CB 0.659 39.146 38.460 0.045 0.000 1.105 330 Y HN -0.046 nan 8.280 nan 0.000 0.476 331 E N -0.911 119.352 120.200 0.106 0.000 2.370 331 E HA 0.150 4.500 4.350 -0.000 0.000 0.194 331 E C 0.030 176.664 176.600 0.057 0.000 1.057 331 E CA 0.062 56.499 56.400 0.062 0.000 1.011 331 E CB -0.034 29.681 29.700 0.025 0.000 1.132 331 E HN 0.358 nan 8.360 nan 0.000 0.450 332 N N 1.052 119.804 118.700 0.086 0.000 2.494 332 N HA -0.013 4.727 4.740 -0.000 0.000 0.182 332 N C 0.778 176.317 175.510 0.048 0.000 1.076 332 N CA 0.733 53.824 53.050 0.067 0.000 0.908 332 N CB 0.176 38.717 38.487 0.090 0.000 0.967 332 N HN 0.385 nan 8.380 nan 0.000 0.449 333 G N 0.201 109.028 108.800 0.046 0.000 2.491 333 G HA2 0.314 4.274 3.960 -0.000 0.000 0.242 333 G HA3 0.314 4.274 3.960 -0.000 0.000 0.242 333 G C 1.020 175.930 174.900 0.018 0.000 1.266 333 G CA -0.417 44.700 45.100 0.028 0.000 0.844 333 G HN -0.050 nan 8.290 nan 0.000 0.571 334 V N 1.544 121.466 119.914 0.014 0.000 2.868 334 V HA 0.049 4.169 4.120 -0.000 0.000 0.227 334 V C 2.315 178.411 176.094 0.004 0.000 1.136 334 V CA 1.043 63.349 62.300 0.009 0.000 1.206 334 V CB -0.839 30.990 31.823 0.010 0.000 0.997 334 V HN 0.744 nan 8.190 nan 0.000 0.505 335 E N 0.931 121.134 120.200 0.005 0.000 2.204 335 E HA -0.029 4.321 4.350 -0.000 0.000 0.194 335 E C 0.717 177.315 176.600 -0.004 0.000 0.989 335 E CA 0.821 57.222 56.400 0.001 0.000 0.824 335 E CB 0.194 29.898 29.700 0.007 0.000 0.756 335 E HN 0.495 nan 8.360 nan 0.000 0.477 336 N N -0.647 118.052 118.700 -0.001 0.000 2.710 336 N HA 0.009 4.749 4.740 -0.000 0.000 0.257 336 N C -0.515 174.991 175.510 -0.007 0.000 1.140 336 N CA -0.204 52.841 53.050 -0.008 0.000 0.953 336 N CB 1.520 40.003 38.487 -0.006 0.000 1.664 336 N HN -0.157 nan 8.380 nan 0.000 0.497 337 K N 0.640 121.027 120.400 -0.021 0.000 1.987 337 K HA 0.049 4.369 4.320 -0.000 0.000 0.222 337 K C 0.442 177.024 176.600 -0.030 0.000 1.029 337 K CA 2.029 58.302 56.287 -0.023 0.000 1.011 337 K CB -0.214 32.257 32.500 -0.048 0.000 0.769 337 K HN 0.769 nan 8.250 nan 0.000 0.444 338 T N -3.000 111.501 114.554 -0.088 0.000 2.754 338 T HA 0.428 4.778 4.350 -0.000 0.000 0.296 338 T C -0.836 173.772 174.700 -0.153 0.000 1.205 338 T CA -0.932 61.115 62.100 -0.088 0.000 1.009 338 T CB 1.790 70.608 68.868 -0.084 0.000 1.368 338 T HN 0.312 nan 8.240 nan 0.000 0.509 339 T N -0.497 114.010 114.554 -0.078 0.000 2.977 339 T HA 0.580 4.930 4.350 -0.000 0.000 0.345 339 T C -1.259 173.508 174.700 0.112 0.000 1.562 339 T CA -0.464 61.605 62.100 -0.051 0.000 1.090 339 T CB 0.558 69.454 68.868 0.047 0.000 1.383 339 T HN 1.458 nan 8.240 nan 0.000 0.484 340 C N 1.451 120.834 119.300 0.139 0.000 3.044 340 C HA 0.970 5.430 4.460 -0.000 0.000 0.315 340 C C 0.180 175.309 174.990 0.231 0.000 1.320 340 C CA -0.742 58.423 59.018 0.245 0.000 1.582 340 C CB 1.074 29.030 27.740 0.361 0.000 2.039 340 C HN 0.844 nan 8.230 nan 0.000 0.466 341 S N 0.166 115.978 115.700 0.186 0.000 2.617 341 S HA 0.735 5.205 4.470 -0.000 0.000 0.283 341 S C -0.593 174.081 174.600 0.124 0.000 1.189 341 S CA -0.395 57.890 58.200 0.142 0.000 1.036 341 S CB 0.587 63.843 63.200 0.092 0.000 1.014 341 S HN 0.630 nan 8.310 nan 0.000 0.522 342 I N 2.693 123.300 120.570 0.063 0.000 2.439 342 I HA 0.263 4.433 4.170 -0.000 0.000 0.283 342 I C 0.190 176.268 176.117 -0.065 0.000 1.023 342 I CA -0.500 60.795 61.300 -0.008 0.000 1.100 342 I CB 1.719 39.693 38.000 -0.043 0.000 1.238 342 I HN 0.591 nan 8.210 nan 0.000 0.445 343 T N 3.216 117.740 114.554 -0.050 0.000 2.867 343 T HA 0.679 5.029 4.350 -0.000 0.000 0.282 343 T C -0.494 174.141 174.700 -0.109 0.000 1.000 343 T CA -0.645 61.420 62.100 -0.058 0.000 1.042 343 T CB 2.047 70.955 68.868 0.067 0.000 0.973 343 T HN 0.191 nan 8.240 nan 0.000 0.465 344 V N 3.210 122.997 119.914 -0.211 0.000 2.376 344 V HA 0.416 4.536 4.120 -0.000 0.000 0.287 344 V C -0.125 175.889 176.094 -0.133 0.000 1.015 344 V CA -0.714 61.477 62.300 -0.183 0.000 0.834 344 V CB 1.249 32.877 31.823 -0.326 0.000 1.001 344 V HN 0.986 nan 8.190 nan 0.000 0.428 345 E N 2.375 122.522 120.200 -0.088 0.000 2.214 345 E HA 0.681 5.031 4.350 -0.000 0.000 0.274 345 E C -0.243 176.396 176.600 0.066 0.000 0.977 345 E CA -0.477 55.925 56.400 0.004 0.000 0.827 345 E CB 2.172 31.885 29.700 0.022 0.000 1.130 345 E HN 0.779 nan 8.360 nan 0.000 0.394 346 T N 0.139 114.790 114.554 0.162 0.000 2.893 346 T HA 0.605 4.955 4.350 -0.000 0.000 0.291 346 T C -0.713 174.058 174.700 0.117 0.000 1.028 346 T CA -1.040 61.139 62.100 0.132 0.000 0.995 346 T CB 1.637 70.443 68.868 -0.103 0.000 1.051 346 T HN 0.465 nan 8.240 nan 0.000 0.470 347 R N 2.771 123.252 120.500 -0.030 0.000 2.533 347 R HA 0.489 4.829 4.340 -0.000 0.000 0.288 347 R C -2.984 173.146 176.300 -0.283 0.000 1.039 347 R CA -2.148 53.753 56.100 -0.332 0.000 0.909 347 R CB 2.064 31.863 30.300 -0.835 0.000 1.195 347 R HN 0.487 nan 8.270 nan 0.000 0.438 348 P HA -0.036 nan 4.420 nan 0.000 0.267 348 P C -0.496 176.699 177.300 -0.174 0.000 1.200 348 P CA 0.066 62.979 63.100 -0.312 0.000 0.772 348 P CB 1.327 32.833 31.700 -0.324 0.000 0.855 349 S N 1.331 116.991 115.700 -0.067 0.000 2.645 349 S HA 0.394 4.864 4.470 -0.000 0.000 0.266 349 S C 1.730 176.351 174.600 0.035 0.000 1.258 349 S CA 0.022 58.222 58.200 0.001 0.000 0.990 349 S CB 0.309 63.548 63.200 0.065 0.000 0.967 349 S HN 0.463 nan 8.310 nan 0.000 0.556 350 A N 1.927 124.755 122.820 0.013 0.000 1.908 350 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 350 A C 1.736 179.339 177.584 0.033 0.000 1.181 350 A CA 2.107 54.148 52.037 0.007 0.000 0.627 350 A CB -0.923 18.075 19.000 -0.004 0.000 0.818 350 A HN 0.956 nan 8.150 nan 0.000 0.445 351 D N -1.400 119.033 120.400 0.054 0.000 2.312 351 D HA -0.087 4.553 4.640 -0.000 0.000 0.211 351 D C 0.680 177.010 176.300 0.051 0.000 0.964 351 D CA -0.086 53.941 54.000 0.045 0.000 0.877 351 D CB -0.576 40.254 40.800 0.049 0.000 0.924 351 D HN 0.357 nan 8.370 nan 0.000 0.515 352 F N 2.780 122.715 119.950 -0.026 0.000 2.571 352 F HA 0.236 4.763 4.527 -0.000 0.000 0.384 352 F C 0.152 175.881 175.800 -0.118 0.000 1.058 352 F CA 0.359 58.330 58.000 -0.049 0.000 1.200 352 F CB 0.461 39.406 39.000 -0.093 0.000 1.077 352 F HN -0.086 nan 8.300 nan 0.000 0.558 353 T N 3.265 117.357 114.554 -0.770 0.000 2.982 353 T HA 0.440 4.790 4.350 -0.000 0.000 0.321 353 T C -0.803 173.499 174.700 -0.664 0.000 1.229 353 T CA -0.830 60.950 62.100 -0.533 0.000 1.044 353 T CB 0.505 69.234 68.868 -0.232 0.000 1.184 353 T HN 0.360 nan 8.240 nan 0.000 0.477 354 F N 1.735 121.438 119.950 -0.412 0.000 2.399 354 F HA 0.613 5.140 4.527 -0.000 0.000 0.342 354 F C 1.328 176.779 175.800 -0.581 0.000 1.106 354 F CA -0.283 57.336 58.000 -0.634 0.000 1.196 354 F CB 1.054 39.248 39.000 -1.344 0.000 1.163 354 F HN 1.012 nan 8.300 nan 0.000 0.547 355 A N 3.598 126.338 122.820 -0.133 0.000 3.748 355 A HA 0.575 4.895 4.320 -0.000 0.000 0.180 355 A C -0.118 177.546 177.584 0.133 0.000 1.758 355 A CA -0.533 51.456 52.037 -0.081 0.000 1.736 355 A CB -0.438 18.425 19.000 -0.229 0.000 1.559 355 A HN 0.624 nan 8.150 nan 0.000 0.575 356 L N 1.083 122.332 121.223 0.044 0.000 2.525 356 L HA 0.119 4.459 4.340 -0.000 0.000 0.278 356 L C -0.089 176.907 176.870 0.211 0.000 1.218 356 L CA -0.001 54.895 54.840 0.093 0.000 0.878 356 L CB -0.278 41.772 42.059 -0.014 0.000 1.127 356 L HN 0.421 nan 8.230 nan 0.000 0.492 357 L N 3.755 125.037 121.223 0.099 0.000 2.452 357 L HA 0.195 4.535 4.340 -0.000 0.000 0.267 357 L C 0.542 177.374 176.870 -0.062 0.000 1.188 357 L CA 0.022 54.807 54.840 -0.092 0.000 0.821 357 L CB 0.577 42.533 42.059 -0.172 0.000 1.102 357 L HN 0.601 nan 8.230 nan 0.000 0.470 358 K N 5.287 125.619 120.400 -0.114 0.000 2.293 358 K HA 0.371 4.691 4.320 -0.000 0.000 0.267 358 K C -2.435 174.110 176.600 -0.091 0.000 1.010 358 K CA -1.735 54.511 56.287 -0.068 0.000 0.875 358 K CB 1.577 34.048 32.500 -0.048 0.000 1.106 358 K HN 0.236 nan 8.250 nan 0.000 0.450 359 P HA 0.101 nan 4.420 nan 0.000 0.263 359 P C -2.596 174.663 177.300 -0.068 0.000 1.195 359 P CA -0.975 62.086 63.100 -0.065 0.000 0.762 359 P CB -0.267 31.406 31.700 -0.046 0.000 0.799 360 P HA -0.076 nan 4.420 nan 0.000 0.261 360 P C 1.169 178.432 177.300 -0.060 0.000 1.158 360 P CA 1.830 64.886 63.100 -0.074 0.000 0.758 360 P CB -0.252 31.407 31.700 -0.069 0.000 0.763 361 G N 1.652 110.415 108.800 -0.062 0.000 2.143 361 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.249 361 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.249 361 G C 0.424 175.292 174.900 -0.053 0.000 0.981 361 G CA 0.055 45.122 45.100 -0.055 0.000 0.665 361 G HN 0.579 nan 8.290 nan 0.000 0.528 362 S N -0.179 115.489 115.700 -0.053 0.000 2.632 362 S HA 0.748 5.218 4.470 -0.000 0.000 0.267 362 S C 0.780 175.348 174.600 -0.052 0.000 1.276 362 S CA -0.458 57.714 58.200 -0.047 0.000 0.998 362 S CB 1.182 64.359 63.200 -0.039 0.000 0.953 362 S HN 0.447 nan 8.310 nan 0.000 0.547 363 L N 1.078 122.271 121.223 -0.050 0.000 2.376 363 L HA 0.565 4.905 4.340 -0.000 0.000 0.267 363 L C -0.805 176.037 176.870 -0.047 0.000 1.035 363 L CA -1.037 53.767 54.840 -0.060 0.000 0.800 363 L CB 0.421 42.442 42.059 -0.062 0.000 1.290 363 L HN 0.413 nan 8.230 nan 0.000 0.462 364 I N 1.501 122.042 120.570 -0.050 0.000 2.297 364 I HA 0.133 4.303 4.170 -0.000 0.000 0.291 364 I C 1.306 177.397 176.117 -0.043 0.000 1.033 364 I CA 0.009 61.297 61.300 -0.020 0.000 1.253 364 I CB 0.876 38.879 38.000 0.005 0.000 1.396 364 I HN 0.452 nan 8.210 nan 0.000 0.476 365 K N 3.794 124.143 120.400 -0.085 0.000 2.207 365 K HA -0.226 4.094 4.320 -0.000 0.000 0.208 365 K C 0.859 177.235 176.600 -0.373 0.000 1.046 365 K CA 1.662 57.809 56.287 -0.233 0.000 0.929 365 K CB -0.094 32.223 32.500 -0.305 0.000 0.720 365 K HN 0.618 nan 8.250 nan 0.000 0.463 366 H N -1.276 117.819 119.070 0.042 0.000 2.672 366 H HA 0.225 4.781 4.556 -0.000 0.000 0.277 366 H C 0.470 175.835 175.328 0.063 0.000 1.074 366 H CA 0.663 56.742 56.048 0.053 0.000 1.173 366 H CB 0.847 30.643 29.762 0.056 0.000 1.558 366 H HN 0.283 nan 8.280 nan 0.000 0.539 367 G N 1.141 110.002 108.800 0.102 0.000 3.225 367 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.686 367 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.686 367 G C -0.456 174.471 174.900 0.045 0.000 1.105 367 G CA -0.411 44.731 45.100 0.070 0.000 0.831 367 G HN 0.173 nan 8.290 nan 0.000 0.578 368 S N 1.150 116.799 115.700 -0.086 0.000 2.579 368 S HA 0.438 4.908 4.470 -0.000 0.000 0.275 368 S C 1.238 175.829 174.600 -0.014 0.000 1.345 368 S CA -0.237 57.889 58.200 -0.123 0.000 1.031 368 S CB 0.733 63.719 63.200 -0.358 0.000 0.892 368 S HN 0.645 nan 8.310 nan 0.000 0.529 369 I N 4.243 124.831 120.570 0.031 0.000 2.517 369 I HA 0.140 4.310 4.170 -0.000 0.000 0.285 369 I C -1.656 174.506 176.117 0.074 0.000 1.106 369 I CA -1.751 59.601 61.300 0.087 0.000 1.402 369 I CB 0.253 38.290 38.000 0.062 0.000 1.399 369 I HN 0.383 nan 8.210 nan 0.000 0.535 370 P HA 0.004 nan 4.420 nan 0.000 0.252 370 P C 0.336 177.410 177.300 -0.377 0.000 1.694 370 P CA 0.006 63.198 63.100 0.153 0.000 1.163 370 P CB 0.054 31.927 31.700 0.288 0.000 1.934 371 S N 0.175 115.548 115.700 -0.545 0.000 2.539 371 S HA 0.056 4.526 4.470 -0.000 0.000 0.221 371 S C 0.753 175.201 174.600 -0.252 0.000 0.987 371 S CA -0.272 57.238 58.200 -1.149 0.000 0.929 371 S CB -0.177 62.413 63.200 -1.018 0.000 0.832 371 S HN 0.322 nan 8.310 nan 0.000 0.492 372 D N 0.955 121.339 120.400 -0.027 0.000 2.623 372 D HA 0.222 4.862 4.640 -0.000 0.000 0.252 372 D C 1.146 177.418 176.300 -0.047 0.000 1.294 372 D CA -0.381 53.647 54.000 0.047 0.000 0.824 372 D CB -0.464 40.355 40.800 0.032 0.000 1.070 372 D HN 0.328 nan 8.370 nan 0.000 0.487 373 L N -0.185 120.982 121.223 -0.093 0.000 2.093 373 L HA 0.123 4.463 4.340 -0.000 0.000 0.208 373 L C 1.026 177.649 176.870 -0.411 0.000 1.085 373 L CA 0.985 55.622 54.840 -0.338 0.000 0.755 373 L CB -0.087 41.754 42.059 -0.362 0.000 0.904 373 L HN 0.029 nan 8.230 nan 0.000 0.435 374 I N -0.275 120.000 120.570 -0.491 0.000 2.377 374 I HA 0.281 4.450 4.170 -0.000 0.000 0.293 374 I C -2.219 173.820 176.117 -0.130 0.000 0.987 374 I CA -2.158 58.847 61.300 -0.491 0.000 1.185 374 I CB 1.579 39.160 38.000 -0.698 0.000 1.341 374 I HN -0.274 nan 8.210 nan 0.000 0.455 375 P HA 0.136 nan 4.420 nan 0.000 0.269 375 P C 0.437 177.966 177.300 0.381 0.000 1.209 375 P CA -0.230 62.993 63.100 0.206 0.000 0.776 375 P CB 0.712 32.595 31.700 0.305 0.000 0.876 376 R N 1.997 122.659 120.500 0.270 0.000 2.096 376 R HA -0.050 4.290 4.340 -0.000 0.000 0.235 376 R C 0.202 176.627 176.300 0.208 0.000 1.127 376 R CA 1.181 57.421 56.100 0.234 0.000 0.968 376 R CB 0.035 30.430 30.300 0.158 0.000 0.861 376 R HN 0.517 nan 8.270 nan 0.000 0.440 377 N N -0.356 118.473 118.700 0.214 0.000 2.392 377 N HA 0.012 4.752 4.740 -0.000 0.000 0.283 377 N C 0.155 175.529 175.510 -0.228 0.000 1.003 377 N CA 0.058 53.117 53.050 0.015 0.000 0.892 377 N CB 2.004 40.502 38.487 0.018 0.000 1.193 377 N HN 0.121 nan 8.380 nan 0.000 0.487 378 S N 0.693 115.964 115.700 -0.715 0.000 2.537 378 S HA -0.127 4.343 4.470 -0.000 0.000 0.240 378 S C 1.572 175.762 174.600 -0.684 0.000 0.981 378 S CA 0.704 57.977 58.200 -1.545 0.000 0.948 378 S CB -0.034 62.301 63.200 -1.442 0.000 0.759 378 S HN 0.592 nan 8.310 nan 0.000 0.531 379 A N 1.219 123.807 122.820 -0.388 0.000 2.067 379 A HA 0.020 4.340 4.320 -0.000 0.000 0.217 379 A C 1.660 179.109 177.584 -0.225 0.000 1.156 379 A CA 0.725 52.592 52.037 -0.284 0.000 0.683 379 A CB -0.541 18.245 19.000 -0.356 0.000 0.808 379 A HN 0.682 nan 8.150 nan 0.000 0.455 380 H N -2.554 116.563 119.070 0.078 0.000 2.520 380 H HA 0.065 4.621 4.556 -0.000 0.000 0.284 380 H C -0.849 174.682 175.328 0.338 0.000 1.037 380 H CA -0.533 55.622 56.048 0.178 0.000 1.168 380 H CB -0.055 29.803 29.762 0.159 0.000 1.497 380 H HN 0.530 nan 8.280 nan 0.000 0.547 381 W N 1.954 123.299 121.300 0.074 0.000 2.387 381 W HA 0.398 5.058 4.660 -0.000 0.000 0.310 381 W C 0.167 176.699 176.519 0.021 0.000 1.181 381 W CA -0.610 56.747 57.345 0.019 0.000 1.333 381 W CB -0.126 29.341 29.460 0.011 0.000 1.286 381 W HN -0.060 nan 8.180 nan 0.000 0.455 382 M N 2.470 122.192 119.600 0.203 0.000 2.535 382 M HA 0.546 5.026 4.480 -0.000 0.000 0.314 382 M C 0.844 177.211 176.300 0.112 0.000 1.153 382 M CA -0.745 54.652 55.300 0.160 0.000 0.924 382 M CB 2.025 34.732 32.600 0.179 0.000 1.710 382 M HN 0.448 nan 8.290 nan 0.000 0.451 383 G N 0.655 109.544 108.800 0.149 0.000 2.507 383 G HA2 0.204 4.164 3.960 -0.000 0.000 0.271 383 G HA3 0.204 4.164 3.960 -0.000 0.000 0.271 383 G C 0.411 175.463 174.900 0.253 0.000 1.189 383 G CA -0.595 44.606 45.100 0.168 0.000 0.859 383 G HN 0.902 nan 8.290 nan 0.000 0.542 384 N N -0.174 118.642 118.700 0.194 0.000 2.463 384 N HA -0.034 4.706 4.740 -0.000 0.000 0.181 384 N C 1.647 177.326 175.510 0.282 0.000 1.078 384 N CA 0.231 53.380 53.050 0.166 0.000 0.902 384 N CB 0.060 38.584 38.487 0.062 0.000 0.970 384 N HN 0.454 nan 8.380 nan 0.000 0.451 385 R N -0.578 120.135 120.500 0.356 0.000 2.064 385 R HA 0.194 4.534 4.340 -0.000 0.000 0.221 385 R C -0.229 176.443 176.300 0.621 0.000 1.136 385 R CA 0.624 56.964 56.100 0.401 0.000 0.980 385 R CB -0.032 30.457 30.300 0.316 0.000 0.876 385 R HN 0.396 nan 8.270 nan 0.000 0.437 386 W N 0.931 122.346 121.300 0.192 0.000 2.819 386 W HA 0.167 4.827 4.660 -0.000 0.000 0.337 386 W C -0.127 176.247 176.519 -0.242 0.000 1.077 386 W CA -1.131 56.168 57.345 -0.076 0.000 1.226 386 W CB 0.944 30.247 29.460 -0.263 0.000 1.419 386 W HN 0.238 nan 8.180 nan 0.000 0.502 387 W N 2.575 123.124 121.300 -1.252 0.000 2.848 387 W HA 0.040 4.700 4.660 -0.000 0.000 0.241 387 W C 0.572 176.806 176.519 -0.476 0.000 1.289 387 W CA 0.203 56.855 57.345 -1.156 0.000 1.396 387 W CB -1.383 27.135 29.460 -1.569 0.000 1.138 387 W HN 0.080 nan 8.180 nan 0.000 0.677 388 S N 1.693 117.028 115.700 -0.608 0.000 2.598 388 S HA 0.173 4.643 4.470 -0.000 0.000 0.256 388 S C 0.418 175.001 174.600 -0.029 0.000 1.350 388 S CA 0.333 58.361 58.200 -0.288 0.000 0.984 388 S CB 0.707 63.831 63.200 -0.127 0.000 0.930 388 S HN 0.125 nan 8.310 nan 0.000 0.577 389 T N 3.154 117.716 114.554 0.012 0.000 2.744 389 T HA 0.403 4.753 4.350 -0.000 0.000 0.291 389 T C -0.043 174.708 174.700 0.085 0.000 0.957 389 T CA -0.535 61.611 62.100 0.077 0.000 1.002 389 T CB 0.276 69.179 68.868 0.060 0.000 0.919 389 T HN 0.434 nan 8.240 nan 0.000 0.468 390 I N 3.603 124.280 120.570 0.180 0.000 2.919 390 I HA -0.058 4.112 4.170 -0.000 0.000 0.303 390 I C 1.417 177.569 176.117 0.059 0.000 1.221 390 I CA 0.956 62.370 61.300 0.188 0.000 1.444 390 I CB 0.516 38.769 38.000 0.421 0.000 1.331 390 I HN 0.908 nan 8.210 nan 0.000 0.572 391 S N 2.349 117.904 115.700 -0.241 0.000 2.817 391 S HA 0.586 5.056 4.470 -0.000 0.000 0.262 391 S C 0.185 174.127 174.600 -1.097 0.000 1.051 391 S CA 0.132 57.828 58.200 -0.839 0.000 1.185 391 S CB 0.187 63.103 63.200 -0.472 0.000 1.152 391 S HN 1.011 nan 8.310 nan 0.000 0.653 392 G N 0.385 108.848 108.800 -0.562 0.000 2.547 392 G HA2 0.562 4.521 3.960 -0.000 0.000 0.291 392 G HA3 0.562 4.521 3.960 -0.000 0.000 0.291 392 G C -1.745 172.974 174.900 -0.302 0.000 1.471 392 G CA -0.760 44.141 45.100 -0.332 0.000 0.798 392 G HN 0.138 nan 8.290 nan 0.000 0.504 393 F N -0.037 120.001 119.950 0.146 0.000 2.575 393 F HA 0.844 5.371 4.527 -0.000 0.000 0.330 393 F C 0.585 176.340 175.800 -0.074 0.000 1.056 393 F CA -1.050 56.973 58.000 0.038 0.000 0.964 393 F CB 2.769 41.787 39.000 0.030 0.000 1.258 393 F HN 0.471 nan 8.300 nan 0.000 0.484 394 S N 1.101 116.806 115.700 0.008 0.000 2.720 394 S HA 0.592 5.062 4.470 -0.000 0.000 0.278 394 S C -1.479 173.035 174.600 -0.142 0.000 1.172 394 S CA -0.570 57.569 58.200 -0.103 0.000 1.019 394 S CB 0.706 63.745 63.200 -0.267 0.000 1.049 394 S HN 0.405 nan 8.310 nan 0.000 0.483 395 V N 5.898 125.740 119.914 -0.119 0.000 2.530 395 V HA 0.507 4.627 4.120 -0.000 0.000 0.282 395 V C -0.064 175.976 176.094 -0.091 0.000 1.048 395 V CA -0.184 62.030 62.300 -0.143 0.000 0.997 395 V CB 1.310 33.012 31.823 -0.201 0.000 0.987 395 V HN 0.791 nan 8.190 nan 0.000 0.477 396 Q N 5.819 125.579 119.800 -0.066 0.000 2.421 396 Q HA 0.390 4.730 4.340 -0.000 0.000 0.280 396 Q C -2.152 173.877 176.000 0.049 0.000 1.085 396 Q CA -1.808 54.006 55.803 0.019 0.000 0.807 396 Q CB 2.494 31.288 28.738 0.093 0.000 1.405 396 Q HN 0.388 nan 8.270 nan 0.000 0.419 397 P HA -0.018 nan 4.420 nan 0.000 0.242 397 P C -0.117 177.259 177.300 0.125 0.000 1.197 397 P CA 0.681 63.888 63.100 0.178 0.000 0.765 397 P CB 0.859 32.674 31.700 0.192 0.000 0.936 398 R N -0.204 120.316 120.500 0.034 0.000 2.725 398 R HA 0.320 4.660 4.340 -0.000 0.000 0.276 398 R C -2.055 174.161 176.300 -0.140 0.000 1.189 398 R CA -0.316 55.718 56.100 -0.110 0.000 1.083 398 R CB 1.477 31.782 30.300 0.007 0.000 1.262 398 R HN -0.241 nan 8.270 nan 0.000 0.415 399 V N 5.285 124.895 119.914 -0.507 0.000 2.850 399 V HA 0.759 4.878 4.120 -0.000 0.000 0.315 399 V C -0.691 174.960 176.094 -0.739 0.000 1.064 399 V CA -0.375 61.401 62.300 -0.873 0.000 0.979 399 V CB 1.667 32.693 31.823 -1.328 0.000 1.039 399 V HN 0.643 nan 8.190 nan 0.000 0.452 400 F N 0.655 120.468 119.950 -0.229 0.000 2.703 400 F HA 0.808 5.335 4.527 -0.000 0.000 0.308 400 F C -0.967 174.989 175.800 0.260 0.000 1.126 400 F CA -0.735 57.214 58.000 -0.085 0.000 0.959 400 F CB 1.518 40.505 39.000 -0.022 0.000 1.297 400 F HN 0.547 nan 8.300 nan 0.000 0.441 401 Q N 0.547 120.599 119.800 0.420 0.000 2.848 401 Q HA 0.441 4.781 4.340 -0.000 0.000 0.288 401 Q C -1.341 174.772 176.000 0.188 0.000 0.907 401 Q CA 0.094 56.116 55.803 0.365 0.000 0.792 401 Q CB 2.148 31.115 28.738 0.381 0.000 1.534 401 Q HN 0.991 nan 8.270 nan 0.000 0.419 402 S N 0.767 116.554 115.700 0.144 0.000 2.692 402 S HA 0.143 4.613 4.470 -0.000 0.000 0.269 402 S C 0.607 175.130 174.600 -0.129 0.000 1.080 402 S CA 0.571 58.793 58.200 0.036 0.000 1.058 402 S CB 0.023 63.291 63.200 0.113 0.000 0.982 402 S HN 0.674 nan 8.310 nan 0.000 0.534 403 N N 1.004 119.572 118.700 -0.221 0.000 2.053 403 N HA 0.003 4.743 4.740 -0.000 0.000 0.187 403 N C 0.741 176.001 175.510 -0.417 0.000 1.089 403 N CA 0.650 53.363 53.050 -0.563 0.000 0.888 403 N CB -0.040 38.102 38.487 -0.575 0.000 1.047 403 N HN 0.206 nan 8.380 nan 0.000 0.434 404 R N 0.516 120.877 120.500 -0.232 0.000 2.849 404 R HA 0.021 4.361 4.340 -0.000 0.000 0.238 404 R C -0.242 176.043 176.300 -0.025 0.000 1.403 404 R CA -0.050 55.976 56.100 -0.123 0.000 1.303 404 R CB -0.536 29.737 30.300 -0.044 0.000 1.191 404 R HN 0.390 nan 8.270 nan 0.000 0.533 405 H N 0.328 119.251 119.070 -0.246 0.000 2.552 405 H HA 0.178 4.734 4.556 -0.000 0.000 0.311 405 H C -0.981 174.151 175.328 -0.326 0.000 1.071 405 H CA -0.385 55.564 56.048 -0.165 0.000 1.307 405 H CB 0.316 30.002 29.762 -0.126 0.000 1.416 405 H HN -0.064 nan 8.280 nan 0.000 0.464 406 F N 2.660 122.405 119.950 -0.341 0.000 2.492 406 F HA 0.145 4.672 4.527 -0.000 0.000 0.327 406 F C 0.685 176.349 175.800 -0.226 0.000 1.079 406 F CA -0.767 57.112 58.000 -0.203 0.000 0.967 406 F CB 1.307 40.177 39.000 -0.217 0.000 1.169 406 F HN 0.531 nan 8.300 nan 0.000 0.472 407 D N 0.604 121.089 120.400 0.141 0.000 2.383 407 D HA 0.145 4.785 4.640 -0.000 0.000 0.248 407 D C 0.819 177.177 176.300 0.096 0.000 1.170 407 D CA -0.025 54.064 54.000 0.148 0.000 0.977 407 D CB 0.641 41.564 40.800 0.204 0.000 1.120 407 D HN 0.374 nan 8.370 nan 0.000 0.481 408 F N 0.227 120.072 119.950 -0.175 0.000 2.408 408 F HA -0.067 4.460 4.527 -0.000 0.000 0.300 408 F C 1.017 176.740 175.800 -0.128 0.000 1.090 408 F CA 0.983 58.793 58.000 -0.316 0.000 1.427 408 F CB -0.065 38.414 39.000 -0.868 0.000 1.070 408 F HN 0.357 nan 8.300 nan 0.000 0.549 409 D N -2.437 118.043 120.400 0.134 0.000 2.738 409 D HA 0.145 4.785 4.640 -0.000 0.000 0.246 409 D C 0.652 177.023 176.300 0.119 0.000 1.270 409 D CA 0.132 54.219 54.000 0.146 0.000 0.833 409 D CB -0.327 40.604 40.800 0.217 0.000 1.040 409 D HN -0.032 nan 8.370 nan 0.000 0.487 410 S N -1.582 114.171 115.700 0.088 0.000 3.380 410 S HA -0.200 4.269 4.470 -0.000 0.000 0.300 410 S C 0.554 175.311 174.600 0.261 0.000 1.255 410 S CA 1.104 59.378 58.200 0.123 0.000 0.963 410 S CB -1.998 61.236 63.200 0.057 0.000 1.106 410 S HN 0.612 nan 8.310 nan 0.000 0.629 411 T N 1.900 116.590 114.554 0.228 0.000 2.882 411 T HA 0.538 4.888 4.350 -0.000 0.000 0.287 411 T C 0.115 174.863 174.700 0.079 0.000 0.992 411 T CA 0.344 62.545 62.100 0.168 0.000 1.076 411 T CB 1.562 70.511 68.868 0.135 0.000 0.961 411 T HN 0.288 nan 8.240 nan 0.000 0.490 412 T N 0.847 115.348 114.554 -0.089 0.000 2.928 412 T HA 0.390 4.740 4.350 -0.000 0.000 0.296 412 T C 1.191 175.773 174.700 -0.196 0.000 1.000 412 T CA -0.501 61.352 62.100 -0.412 0.000 0.989 412 T CB 1.052 69.252 68.868 -1.113 0.000 1.005 412 T HN 0.647 nan 8.240 nan 0.000 0.442 413 T N 1.654 116.125 114.554 -0.139 0.000 3.113 413 T HA 0.305 4.655 4.350 -0.000 0.000 0.256 413 T C 1.282 175.974 174.700 -0.012 0.000 1.131 413 T CA 0.373 62.456 62.100 -0.028 0.000 1.074 413 T CB -0.143 68.736 68.868 0.019 0.000 0.944 413 T HN 0.670 nan 8.240 nan 0.000 0.516 414 G N 1.001 109.702 108.800 -0.165 0.000 2.485 414 G HA2 0.393 4.353 3.960 -0.000 0.000 0.260 414 G HA3 0.393 4.353 3.960 -0.000 0.000 0.260 414 G C 0.025 174.916 174.900 -0.014 0.000 1.459 414 G CA -0.379 44.575 45.100 -0.244 0.000 1.060 414 G HN 0.768 nan 8.290 nan 0.000 0.546 415 W N -0.736 120.564 121.300 0.001 0.000 1.737 415 W HA 0.582 5.242 4.660 -0.000 0.000 0.262 415 W C -0.128 176.426 176.519 0.058 0.000 0.852 415 W CA -0.272 57.091 57.345 0.031 0.000 1.462 415 W CB -0.460 29.029 29.460 0.047 0.000 1.005 415 W HN 0.522 nan 8.180 nan 0.000 0.472 416 S N 0.227 115.804 115.700 -0.206 0.000 2.595 416 S HA 0.738 5.208 4.470 -0.000 0.000 0.281 416 S C -0.020 174.596 174.600 0.026 0.000 1.117 416 S CA -0.319 57.849 58.200 -0.054 0.000 0.873 416 S CB 1.739 64.854 63.200 -0.142 0.000 1.108 416 S HN 0.233 nan 8.310 nan 0.000 0.477 417 T N -1.317 113.304 114.554 0.113 0.000 2.849 417 T HA 0.488 4.838 4.350 -0.000 0.000 0.284 417 T C -2.396 172.356 174.700 0.087 0.000 1.004 417 T CA -1.916 60.302 62.100 0.198 0.000 1.021 417 T CB 0.468 69.460 68.868 0.207 0.000 1.013 417 T HN 0.469 nan 8.240 nan 0.000 0.527 418 P HA 0.185 nan 4.420 nan 0.000 0.261 418 P C -1.328 175.552 177.300 -0.699 0.000 1.650 418 P CA -0.012 62.856 63.100 -0.387 0.000 0.846 418 P CB -0.881 30.419 31.700 -0.667 0.000 1.758 419 Y N -1.462 118.715 120.300 -0.205 0.000 2.544 419 Y HA 0.351 4.901 4.550 -0.000 0.000 0.342 419 Y C -0.155 175.589 175.900 -0.260 0.000 1.062 419 Y CA -1.139 56.852 58.100 -0.182 0.000 1.023 419 Y CB 1.421 39.828 38.460 -0.088 0.000 1.308 419 Y HN -0.170 nan 8.280 nan 0.000 0.457 420 Y N 2.719 123.105 120.300 0.143 0.000 2.518 420 Y HA 0.497 5.047 4.550 -0.000 0.000 0.344 420 Y C 0.025 175.928 175.900 0.005 0.000 0.982 420 Y CA -0.766 57.360 58.100 0.044 0.000 1.234 420 Y CB 0.739 39.179 38.460 -0.034 0.000 1.114 420 Y HN 0.333 nan 8.280 nan 0.000 0.515 421 V N 1.717 121.706 119.914 0.124 0.000 2.864 421 V HA 0.726 4.846 4.120 -0.000 0.000 0.314 421 V C -2.635 173.496 176.094 0.062 0.000 1.073 421 V CA -3.267 59.072 62.300 0.064 0.000 0.956 421 V CB 1.571 33.423 31.823 0.049 0.000 1.023 421 V HN 0.388 nan 8.190 nan 0.000 0.435 422 P HA 0.332 nan 4.420 nan 0.000 0.267 422 P C -0.629 176.713 177.300 0.070 0.000 1.200 422 P CA 0.220 63.337 63.100 0.028 0.000 0.772 422 P CB 0.271 31.971 31.700 0.000 0.000 0.855 423 I N 2.459 123.084 120.570 0.092 0.000 2.336 423 I HA 0.221 4.391 4.170 -0.000 0.000 0.292 423 I C 0.487 176.672 176.117 0.114 0.000 0.991 423 I CA -0.348 61.040 61.300 0.146 0.000 1.227 423 I CB 1.054 39.190 38.000 0.227 0.000 1.366 423 I HN 0.263 nan 8.210 nan 0.000 0.466 424 E N 7.811 128.074 120.200 0.105 0.000 2.165 424 E HA 0.601 4.951 4.350 -0.000 0.000 0.266 424 E C -0.866 175.779 176.600 0.074 0.000 0.889 424 E CA -0.520 55.923 56.400 0.071 0.000 0.756 424 E CB 2.358 32.085 29.700 0.045 0.000 1.131 424 E HN 0.510 nan 8.360 nan 0.000 0.411 425 I N -1.527 119.084 120.570 0.069 0.000 3.239 425 I HA 0.611 4.781 4.170 -0.000 0.000 0.314 425 I C -1.012 175.127 176.117 0.037 0.000 1.126 425 I CA -1.266 60.066 61.300 0.054 0.000 0.973 425 I CB 2.236 40.292 38.000 0.095 0.000 1.252 425 I HN 0.141 nan 8.210 nan 0.000 0.463 426 K N 3.063 123.485 120.400 0.037 0.000 2.426 426 K HA 0.615 4.935 4.320 -0.000 0.000 0.254 426 K C -1.046 175.601 176.600 0.079 0.000 0.936 426 K CA -0.613 55.702 56.287 0.047 0.000 0.801 426 K CB 2.609 35.134 32.500 0.042 0.000 1.139 426 K HN 0.667 nan 8.250 nan 0.000 0.424 427 I N -0.622 120.007 120.570 0.097 0.000 2.676 427 I HA 0.454 4.624 4.170 -0.000 0.000 0.309 427 I C -0.532 175.718 176.117 0.222 0.000 0.990 427 I CA -0.967 60.437 61.300 0.174 0.000 1.168 427 I CB 1.642 39.731 38.000 0.149 0.000 1.343 427 I HN 0.401 nan 8.210 nan 0.000 0.482 428 Q N 2.962 122.959 119.800 0.328 0.000 2.331 428 Q HA 0.520 4.860 4.340 -0.000 0.000 0.257 428 Q C -0.346 175.908 176.000 0.423 0.000 0.957 428 Q CA -0.219 55.769 55.803 0.309 0.000 0.923 428 Q CB 1.576 30.480 28.738 0.277 0.000 1.212 428 Q HN 0.931 nan 8.270 nan 0.000 0.443 429 G N 4.027 113.017 108.800 0.317 0.000 2.333 429 G HA2 0.327 4.287 3.960 -0.000 0.000 0.290 429 G HA3 0.327 4.287 3.960 -0.000 0.000 0.290 429 G C -0.874 174.135 174.900 0.182 0.000 1.150 429 G CA -0.735 44.563 45.100 0.331 0.000 0.895 429 G HN 0.707 nan 8.290 nan 0.000 0.444 430 K N 2.204 122.664 120.400 0.100 0.000 2.234 430 K HA 0.433 4.753 4.320 -0.000 0.000 0.282 430 K C 0.485 177.098 176.600 0.021 0.000 1.039 430 K CA -0.884 55.417 56.287 0.023 0.000 0.928 430 K CB 2.184 34.646 32.500 -0.064 0.000 1.039 430 K HN 0.220 nan 8.250 nan 0.000 0.470 431 V N 3.019 122.947 119.914 0.024 0.000 2.423 431 V HA 0.101 4.221 4.120 -0.000 0.000 0.233 431 V C 1.188 177.284 176.094 0.004 0.000 1.067 431 V CA 1.365 63.676 62.300 0.018 0.000 1.073 431 V CB -0.325 31.511 31.823 0.022 0.000 0.715 431 V HN 0.999 nan 8.190 nan 0.000 0.485 432 G N 1.554 110.355 108.800 0.001 0.000 3.180 432 G HA2 0.438 4.398 3.960 -0.000 0.000 0.252 432 G HA3 0.438 4.398 3.960 -0.000 0.000 0.252 432 G C -0.077 174.814 174.900 -0.014 0.000 0.871 432 G CA 0.794 45.890 45.100 -0.006 0.000 1.979 432 G HN 1.092 nan 8.290 nan 0.000 0.624 433 S N -0.754 114.935 115.700 -0.019 0.000 2.622 433 S HA 0.300 4.770 4.470 -0.000 0.000 0.275 433 S C -1.113 173.466 174.600 -0.036 0.000 1.112 433 S CA -1.153 57.030 58.200 -0.029 0.000 0.837 433 S CB 1.248 64.427 63.200 -0.036 0.000 1.082 433 S HN 0.112 nan 8.310 nan 0.000 0.456 434 N N 1.448 120.127 118.700 -0.034 0.000 2.844 434 N HA 0.350 5.090 4.740 -0.000 0.000 0.268 434 N C -1.270 174.222 175.510 -0.031 0.000 1.574 434 N CA -0.223 52.806 53.050 -0.035 0.000 0.838 434 N CB 0.804 39.280 38.487 -0.019 0.000 1.177 434 N HN 0.697 nan 8.380 nan 0.000 0.495 435 N N 0.089 118.747 118.700 -0.070 0.000 2.362 435 N HA 0.287 5.027 4.740 -0.000 0.000 0.299 435 N C 0.548 175.991 175.510 -0.111 0.000 1.170 435 N CA -0.560 52.477 53.050 -0.021 0.000 0.825 435 N CB 1.628 40.146 38.487 0.053 0.000 1.299 435 N HN -0.083 nan 8.380 nan 0.000 0.502 436 K N 0.614 121.058 120.400 0.074 0.000 2.354 436 K HA 0.109 4.429 4.320 -0.000 0.000 0.194 436 K C -0.710 175.939 176.600 0.081 0.000 1.045 436 K CA 0.350 56.639 56.287 0.003 0.000 1.026 436 K CB 0.347 32.797 32.500 -0.082 0.000 0.866 436 K HN 0.485 nan 8.250 nan 0.000 0.530 437 W N 1.114 122.396 121.300 -0.030 0.000 2.361 437 W HA 0.364 5.024 4.660 -0.000 0.000 0.309 437 W C -0.138 176.240 176.519 -0.236 0.000 1.122 437 W CA -0.683 56.611 57.345 -0.084 0.000 1.208 437 W CB 0.317 29.459 29.460 -0.531 0.000 1.246 437 W HN -0.242 nan 8.180 nan 0.000 0.490 438 F N 1.787 121.766 119.950 0.049 0.000 2.541 438 F HA 0.403 4.930 4.527 -0.000 0.000 0.331 438 F C 0.769 176.609 175.800 0.067 0.000 1.057 438 F CA -1.278 56.797 58.000 0.124 0.000 0.975 438 F CB 0.994 40.135 39.000 0.234 0.000 1.246 438 F HN 0.173 nan 8.300 nan 0.000 0.484 439 H N -0.042 119.271 119.070 0.406 0.000 2.508 439 H HA 0.596 5.152 4.556 -0.000 0.000 0.344 439 H C -0.964 174.503 175.328 0.231 0.000 1.192 439 H CA -0.466 55.760 56.048 0.296 0.000 1.290 439 H CB 2.087 32.011 29.762 0.271 0.000 1.571 439 H HN 0.212 nan 8.280 nan 0.000 0.555 440 V N 4.166 124.261 119.914 0.301 0.000 2.334 440 V HA 0.089 4.209 4.120 -0.000 0.000 0.281 440 V C 1.554 177.695 176.094 0.078 0.000 1.016 440 V CA -0.267 62.117 62.300 0.140 0.000 0.832 440 V CB 0.797 32.623 31.823 0.005 0.000 0.999 440 V HN 0.668 nan 8.190 nan 0.000 0.439 441 I N 2.575 123.191 120.570 0.077 0.000 2.076 441 I HA -0.079 4.091 4.170 -0.000 0.000 0.237 441 I C 0.927 177.041 176.117 -0.004 0.000 1.059 441 I CA 1.699 63.021 61.300 0.036 0.000 1.317 441 I CB 0.109 38.136 38.000 0.045 0.000 1.037 441 I HN 0.845 nan 8.210 nan 0.000 0.398 442 D N -1.254 119.141 120.400 -0.008 0.000 2.665 442 D HA 0.202 4.842 4.640 -0.000 0.000 0.287 442 D C -0.843 175.441 176.300 -0.028 0.000 1.266 442 D CA -0.389 53.593 54.000 -0.029 0.000 0.830 442 D CB 2.348 43.139 40.800 -0.016 0.000 1.356 442 D HN -0.064 nan 8.370 nan 0.000 0.437 443 T N -0.932 113.603 114.554 -0.032 0.000 2.907 443 T HA 0.328 4.678 4.350 -0.000 0.000 0.292 443 T C 0.039 174.743 174.700 0.005 0.000 1.043 443 T CA -0.466 61.627 62.100 -0.012 0.000 1.003 443 T CB 1.643 70.496 68.868 -0.025 0.000 1.084 443 T HN 0.290 nan 8.240 nan 0.000 0.483 444 D N 2.026 122.438 120.400 0.019 0.000 2.107 444 D HA 0.064 4.704 4.640 -0.000 0.000 0.204 444 D C 0.197 176.513 176.300 0.026 0.000 0.978 444 D CA 1.062 55.074 54.000 0.020 0.000 0.852 444 D CB 0.318 41.131 40.800 0.021 0.000 1.008 444 D HN 0.482 nan 8.370 nan 0.000 0.458 445 K N 0.847 121.270 120.400 0.038 0.000 2.262 445 K HA 0.591 4.911 4.320 -0.000 0.000 0.282 445 K C -0.707 175.932 176.600 0.066 0.000 1.066 445 K CA -0.259 56.056 56.287 0.046 0.000 0.901 445 K CB 2.015 34.542 32.500 0.046 0.000 1.089 445 K HN 0.014 nan 8.250 nan 0.000 0.476 446 A N 2.687 125.546 122.820 0.065 0.000 2.589 446 A HA 0.267 4.587 4.320 -0.000 0.000 0.296 446 A C -0.271 177.366 177.584 0.089 0.000 1.062 446 A CA -0.703 51.386 52.037 0.088 0.000 0.686 446 A CB 1.034 20.075 19.000 0.069 0.000 1.282 446 A HN 0.661 nan 8.150 nan 0.000 0.404 447 L N 2.023 123.318 121.223 0.120 0.000 2.127 447 L HA 0.246 4.586 4.340 -0.000 0.000 0.203 447 L C 0.252 177.187 176.870 0.107 0.000 1.080 447 L CA 1.709 56.618 54.840 0.115 0.000 0.768 447 L CB 0.198 42.340 42.059 0.139 0.000 0.924 447 L HN 0.502 nan 8.230 nan 0.000 0.444 448 V N 2.687 122.678 119.914 0.128 0.000 2.347 448 V HA 0.332 4.452 4.120 -0.000 0.000 0.280 448 V C -2.173 173.955 176.094 0.058 0.000 1.021 448 V CA -1.712 60.649 62.300 0.102 0.000 0.847 448 V CB 0.815 32.723 31.823 0.142 0.000 0.990 448 V HN 0.190 nan 8.190 nan 0.000 0.444 449 P HA 0.058 nan 4.420 nan 0.000 0.255 449 P C 0.891 178.183 177.300 -0.013 0.000 1.173 449 P CA 1.652 64.759 63.100 0.013 0.000 0.780 449 P CB 0.509 32.216 31.700 0.012 0.000 0.758 450 G N 3.861 112.642 108.800 -0.031 0.000 2.561 450 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.203 450 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.203 450 G C -0.035 174.785 174.900 -0.134 0.000 1.101 450 G CA -0.306 44.749 45.100 -0.075 0.000 0.711 450 G HN 0.501 nan 8.290 nan 0.000 0.511 451 I N 4.637 125.130 120.570 -0.127 0.000 2.315 451 I HA 0.349 4.519 4.170 -0.000 0.000 0.291 451 I C -1.806 174.275 176.117 -0.060 0.000 1.006 451 I CA -2.194 58.975 61.300 -0.217 0.000 1.265 451 I CB 1.590 39.413 38.000 -0.294 0.000 1.387 451 I HN 0.030 nan 8.210 nan 0.000 0.475 452 P HA -0.046 nan 4.420 nan 0.000 0.268 452 P C -0.687 176.787 177.300 0.290 0.000 1.205 452 P CA -0.138 63.020 63.100 0.097 0.000 0.771 452 P CB 0.784 32.542 31.700 0.096 0.000 0.858 453 D N 1.867 122.420 120.400 0.256 0.000 2.342 453 D HA 0.263 4.903 4.640 -0.000 0.000 0.260 453 D C 1.429 177.904 176.300 0.292 0.000 1.278 453 D CA 1.279 55.446 54.000 0.278 0.000 0.910 453 D CB -0.810 40.096 40.800 0.175 0.000 1.079 453 D HN 0.675 nan 8.370 nan 0.000 0.496 454 G N 4.187 113.206 108.800 0.364 0.000 2.229 454 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.189 454 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.189 454 G C 0.293 175.454 174.900 0.434 0.000 1.000 454 G CA -0.284 45.004 45.100 0.314 0.000 0.663 454 G HN 0.537 nan 8.290 nan 0.000 0.493 455 W N 3.891 125.412 121.300 0.367 0.000 2.343 455 W HA 0.278 4.938 4.660 -0.000 0.000 0.337 455 W C -1.205 175.519 176.519 0.341 0.000 1.320 455 W CA -0.081 57.440 57.345 0.293 0.000 1.290 455 W CB 0.361 29.944 29.460 0.205 0.000 1.206 455 W HN 0.193 nan 8.180 nan 0.000 0.565 456 P HA -0.231 nan 4.420 nan 0.000 0.271 456 P C -0.053 177.322 177.300 0.126 0.000 1.197 456 P CA 0.830 63.686 63.100 -0.406 0.000 0.777 456 P CB 0.712 31.616 31.700 -1.326 0.000 0.827 457 D N -0.688 119.800 120.400 0.146 0.000 2.369 457 D HA 0.025 4.665 4.640 -0.000 0.000 0.211 457 D C 0.443 176.957 176.300 0.357 0.000 1.077 457 D CA 0.368 54.590 54.000 0.370 0.000 0.842 457 D CB 0.213 41.179 40.800 0.277 0.000 0.947 457 D HN 0.461 nan 8.370 nan 0.000 0.509 458 T N -3.743 111.018 114.554 0.346 0.000 2.926 458 T HA 0.731 5.081 4.350 -0.000 0.000 0.289 458 T C 0.248 175.177 174.700 0.381 0.000 1.054 458 T CA -0.624 61.699 62.100 0.371 0.000 1.015 458 T CB 2.051 71.148 68.868 0.382 0.000 1.167 458 T HN -0.179 nan 8.240 nan 0.000 0.526 459 T N 0.752 115.500 114.554 0.323 0.000 2.762 459 T HA 0.630 4.980 4.350 -0.000 0.000 0.272 459 T C 0.246 175.098 174.700 0.254 0.000 0.982 459 T CA -0.959 61.313 62.100 0.286 0.000 1.013 459 T CB 0.605 69.615 68.868 0.237 0.000 1.309 459 T HN 0.887 nan 8.240 nan 0.000 0.572 460 I N 0.749 121.442 120.570 0.204 0.000 2.662 460 I HA 0.349 4.519 4.170 -0.000 0.000 0.291 460 I C -1.430 174.749 176.117 0.103 0.000 1.046 460 I CA -2.102 59.286 61.300 0.148 0.000 1.361 460 I CB 0.542 38.622 38.000 0.133 0.000 1.429 460 I HN 0.393 nan 8.210 nan 0.000 0.558 461 P HA -0.057 nan 4.420 nan 0.000 0.214 461 P C -0.031 177.285 177.300 0.026 0.000 1.162 461 P CA 1.401 64.529 63.100 0.046 0.000 0.879 461 P CB 0.260 31.979 31.700 0.031 0.000 0.786 462 D N -1.248 119.160 120.400 0.014 0.000 2.614 462 D HA 0.234 4.874 4.640 -0.000 0.000 0.264 462 D C -0.355 175.942 176.300 -0.005 0.000 1.092 462 D CA -0.616 53.386 54.000 0.002 0.000 1.071 462 D CB 1.502 42.298 40.800 -0.007 0.000 1.443 462 D HN 0.002 nan 8.370 nan 0.000 0.528 463 E N 0.229 120.420 120.200 -0.014 0.000 2.373 463 E HA 0.407 4.757 4.350 -0.000 0.000 0.267 463 E C -0.545 176.029 176.600 -0.042 0.000 1.032 463 E CA 0.261 56.642 56.400 -0.032 0.000 0.889 463 E CB 1.010 30.693 29.700 -0.028 0.000 0.984 463 E HN 0.143 nan 8.360 nan 0.000 0.425 464 T N 2.105 116.611 114.554 -0.080 0.000 2.894 464 T HA 0.235 4.585 4.350 -0.000 0.000 0.309 464 T C -0.685 173.921 174.700 -0.156 0.000 1.208 464 T CA -0.992 61.062 62.100 -0.076 0.000 1.016 464 T CB 1.413 70.267 68.868 -0.022 0.000 1.192 464 T HN 0.248 nan 8.240 nan 0.000 0.491 465 K N 0.949 121.263 120.400 -0.142 0.000 2.258 465 K HA 0.531 4.851 4.320 -0.000 0.000 0.264 465 K C 0.858 177.308 176.600 -0.250 0.000 1.007 465 K CA -0.435 55.747 56.287 -0.175 0.000 0.941 465 K CB 0.465 32.883 32.500 -0.137 0.000 0.966 465 K HN 0.623 nan 8.250 nan 0.000 0.480 466 A N 2.062 124.767 122.820 -0.191 0.000 2.268 466 A HA 0.010 4.330 4.320 -0.000 0.000 0.221 466 A C 0.149 177.786 177.584 0.088 0.000 1.287 466 A CA 0.099 52.063 52.037 -0.121 0.000 0.902 466 A CB -0.671 18.345 19.000 0.026 0.000 0.877 466 A HN 0.659 nan 8.150 nan 0.000 0.487 467 T N 1.592 116.093 114.554 -0.088 0.000 2.930 467 T HA 0.049 4.399 4.350 -0.000 0.000 0.306 467 T C 0.593 175.324 174.700 0.053 0.000 1.045 467 T CA -0.311 61.745 62.100 -0.074 0.000 1.134 467 T CB 0.365 69.110 68.868 -0.206 0.000 0.961 467 T HN 0.584 nan 8.240 nan 0.000 0.545 468 N N 0.902 119.686 118.700 0.140 0.000 2.482 468 N HA 0.388 5.128 4.740 -0.000 0.000 0.260 468 N C 0.022 175.690 175.510 0.264 0.000 1.236 468 N CA 0.123 53.313 53.050 0.234 0.000 0.938 468 N CB 0.826 39.382 38.487 0.115 0.000 1.128 468 N HN 0.859 nan 8.380 nan 0.000 0.448 469 G N 1.346 110.354 108.800 0.346 0.000 2.451 469 G HA2 0.192 4.152 3.960 -0.000 0.000 0.292 469 G HA3 0.192 4.152 3.960 -0.000 0.000 0.292 469 G C -1.383 173.681 174.900 0.273 0.000 1.427 469 G CA -0.559 44.719 45.100 0.297 0.000 0.792 469 G HN 0.625 nan 8.290 nan 0.000 0.498 470 N N -1.290 117.506 118.700 0.159 0.000 3.255 470 N HA 0.596 5.335 4.740 -0.000 0.000 0.359 470 N C -0.695 174.816 175.510 0.003 0.000 1.463 470 N CA -0.582 52.553 53.050 0.142 0.000 0.695 470 N CB 0.435 39.002 38.487 0.133 0.000 1.581 470 N HN 0.322 nan 8.380 nan 0.000 0.622 471 F N 0.978 120.989 119.950 0.102 0.000 2.406 471 F HA 0.317 4.844 4.527 -0.000 0.000 0.327 471 F C 0.798 176.407 175.800 -0.317 0.000 1.153 471 F CA 0.141 58.073 58.000 -0.113 0.000 1.218 471 F CB 0.852 39.886 39.000 0.058 0.000 1.215 471 F HN 0.334 nan 8.300 nan 0.000 0.570 472 S N 1.032 116.540 115.700 -0.319 0.000 2.511 472 S HA 0.486 4.956 4.470 -0.000 0.000 0.283 472 S C -1.760 172.471 174.600 -0.615 0.000 1.078 472 S CA -0.931 57.024 58.200 -0.408 0.000 0.994 472 S CB -0.326 62.676 63.200 -0.330 0.000 1.171 472 S HN 0.457 nan 8.310 nan 0.000 0.444 473 Y N 1.335 121.360 120.300 -0.458 0.000 2.512 473 Y HA 0.805 5.355 4.550 -0.000 0.000 0.348 473 Y C 1.013 176.820 175.900 -0.154 0.000 0.990 473 Y CA -0.266 57.612 58.100 -0.369 0.000 1.033 473 Y CB 1.917 40.120 38.460 -0.428 0.000 1.259 473 Y HN 0.961 nan 8.280 nan 0.000 0.461 474 G N 0.623 109.489 108.800 0.110 0.000 2.621 474 G HA2 0.166 4.126 3.960 -0.000 0.000 0.271 474 G HA3 0.166 4.126 3.960 -0.000 0.000 0.271 474 G C 0.661 175.670 174.900 0.181 0.000 1.236 474 G CA -0.472 44.706 45.100 0.130 0.000 0.958 474 G HN 0.746 nan 8.290 nan 0.000 0.512 475 E N -0.392 119.874 120.200 0.111 0.000 2.401 475 E HA -0.143 4.207 4.350 -0.000 0.000 0.199 475 E C 2.025 178.683 176.600 0.098 0.000 1.023 475 E CA 1.146 57.596 56.400 0.083 0.000 0.859 475 E CB -0.369 29.357 29.700 0.044 0.000 0.780 475 E HN 0.304 nan 8.360 nan 0.000 0.523 476 S N -0.255 115.531 115.700 0.144 0.000 2.383 476 S HA -0.130 4.340 4.470 -0.000 0.000 0.227 476 S C 1.466 176.090 174.600 0.039 0.000 1.026 476 S CA 0.658 58.902 58.200 0.074 0.000 0.981 476 S CB -0.328 62.905 63.200 0.055 0.000 0.818 476 S HN 0.394 nan 8.310 nan 0.000 0.472 477 Y N 1.699 122.056 120.300 0.096 0.000 2.420 477 Y HA 0.331 4.881 4.550 -0.000 0.000 0.292 477 Y C 1.445 177.336 175.900 -0.015 0.000 1.119 477 Y CA 0.050 58.229 58.100 0.132 0.000 1.229 477 Y CB -0.183 38.441 38.460 0.274 0.000 1.026 477 Y HN 0.011 nan 8.280 nan 0.000 0.554 478 R N 1.297 121.839 120.500 0.070 0.000 2.715 478 R HA -0.029 4.311 4.340 -0.000 0.000 0.266 478 R C 0.577 176.850 176.300 -0.045 0.000 0.981 478 R CA 0.485 56.552 56.100 -0.055 0.000 1.105 478 R CB -0.186 30.102 30.300 -0.021 0.000 0.953 478 R HN 0.241 nan 8.270 nan 0.000 0.432 479 A N 0.822 123.593 122.820 -0.082 0.000 2.609 479 A HA 0.336 4.656 4.320 -0.000 0.000 0.232 479 A C 1.146 178.719 177.584 -0.018 0.000 1.041 479 A CA 1.132 53.144 52.037 -0.043 0.000 0.753 479 A CB -0.217 18.749 19.000 -0.056 0.000 0.966 479 A HN 0.893 nan 8.150 nan 0.000 0.510 480 G N -0.331 108.465 108.800 -0.006 0.000 2.286 480 G HA2 0.428 4.388 3.960 -0.000 0.000 0.118 480 G HA3 0.428 4.388 3.960 -0.000 0.000 0.118 480 G C 0.196 175.093 174.900 -0.006 0.000 1.267 480 G CA 0.455 45.550 45.100 -0.008 0.000 1.171 480 G HN 2.281 nan 8.290 nan 0.000 0.465 481 S N -1.159 114.534 115.700 -0.012 0.000 2.775 481 S HA 0.319 4.789 4.470 -0.000 0.000 0.227 481 S C 0.535 175.120 174.600 -0.026 0.000 0.845 481 S CA 1.169 59.359 58.200 -0.017 0.000 1.407 481 S CB -0.622 62.568 63.200 -0.016 0.000 1.259 481 S HN 2.007 nan 8.310 nan 0.000 0.612 482 T N 1.435 115.973 114.554 -0.027 0.000 2.701 482 T HA 0.433 4.783 4.350 -0.000 0.000 0.303 482 T C 0.535 175.205 174.700 -0.050 0.000 1.030 482 T CA 0.027 62.108 62.100 -0.033 0.000 1.010 482 T CB -0.149 68.703 68.868 -0.027 0.000 1.007 482 T HN 0.246 nan 8.240 nan 0.000 0.532 483 T N 1.018 115.542 114.554 -0.049 0.000 2.906 483 T HA 0.275 4.625 4.350 -0.000 0.000 0.320 483 T C 0.109 174.748 174.700 -0.101 0.000 1.088 483 T CA -0.289 61.773 62.100 -0.063 0.000 1.120 483 T CB 0.061 68.901 68.868 -0.046 0.000 1.000 483 T HN 0.565 nan 8.240 nan 0.000 0.550 484 I N 1.554 122.043 120.570 -0.134 0.000 2.460 484 I HA 0.371 4.541 4.170 -0.000 0.000 0.298 484 I C -0.395 175.622 176.117 -0.166 0.000 0.989 484 I CA -0.608 60.548 61.300 -0.240 0.000 1.173 484 I CB 1.100 38.917 38.000 -0.304 0.000 1.338 484 I HN 0.458 nan 8.210 nan 0.000 0.456 485 K N 8.569 128.869 120.400 -0.167 0.000 2.425 485 K HA 0.391 4.711 4.320 -0.000 0.000 0.259 485 K C -1.985 174.660 176.600 0.075 0.000 0.978 485 K CA -1.471 54.802 56.287 -0.024 0.000 0.883 485 K CB 1.577 34.088 32.500 0.019 0.000 1.110 485 K HN 0.400 nan 8.250 nan 0.000 0.436 486 P HA -0.170 nan 4.420 nan 0.000 0.225 486 P C 0.204 177.557 177.300 0.088 0.000 1.148 486 P CA 1.143 64.309 63.100 0.111 0.000 0.779 486 P CB 0.262 31.994 31.700 0.053 0.000 0.780 487 N N -0.006 118.732 118.700 0.064 0.000 2.412 487 N HA -0.051 4.689 4.740 -0.000 0.000 0.184 487 N C 1.035 176.556 175.510 0.018 0.000 1.101 487 N CA 0.319 53.383 53.050 0.023 0.000 0.881 487 N CB -0.454 38.039 38.487 0.011 0.000 0.969 487 N HN 0.204 nan 8.380 nan 0.000 0.459 488 E N 0.269 120.525 120.200 0.093 0.000 2.437 488 E HA 0.082 4.432 4.350 -0.000 0.000 0.189 488 E C -0.448 176.111 176.600 -0.067 0.000 1.054 488 E CA -0.197 56.249 56.400 0.076 0.000 0.874 488 E CB -0.088 29.739 29.700 0.212 0.000 1.011 488 E HN 0.403 nan 8.360 nan 0.000 0.474 489 N N 0.584 119.190 118.700 -0.157 0.000 2.589 489 N HA 0.089 4.829 4.740 -0.000 0.000 0.232 489 N C -0.022 175.198 175.510 -0.482 0.000 1.015 489 N CA -0.145 52.607 53.050 -0.497 0.000 0.931 489 N CB 0.674 38.934 38.487 -0.379 0.000 1.150 489 N HN -0.154 nan 8.380 nan 0.000 0.512 490 S N 1.110 116.477 115.700 -0.555 0.000 2.605 490 S HA 0.016 4.486 4.470 -0.000 0.000 0.217 490 S C 0.237 174.413 174.600 -0.706 0.000 0.958 490 S CA -0.091 57.801 58.200 -0.513 0.000 0.919 490 S CB 0.252 63.218 63.200 -0.390 0.000 0.780 490 S HN 0.502 nan 8.310 nan 0.000 0.507 491 T N 2.692 116.776 114.554 -0.782 0.000 2.799 491 T HA 0.098 4.448 4.350 -0.000 0.000 0.296 491 T C 0.939 175.198 174.700 -0.734 0.000 0.947 491 T CA -0.112 61.471 62.100 -0.862 0.000 1.141 491 T CB 0.412 68.705 68.868 -0.958 0.000 0.891 491 T HN 0.318 nan 8.240 nan 0.000 0.533 492 H N 2.722 121.499 119.070 -0.488 0.000 2.333 492 H HA -0.014 4.542 4.556 -0.000 0.000 0.302 492 H C 1.539 176.750 175.328 -0.195 0.000 1.075 492 H CA 1.045 56.947 56.048 -0.243 0.000 1.348 492 H CB -0.145 29.587 29.762 -0.051 0.000 1.393 492 H HN 0.784 nan 8.280 nan 0.000 0.509 493 F N 2.611 122.410 119.950 -0.251 0.000 2.757 493 F HA 0.230 4.757 4.527 -0.000 0.000 0.292 493 F C 0.646 176.341 175.800 -0.175 0.000 1.204 493 F CA -0.905 56.907 58.000 -0.313 0.000 1.417 493 F CB -0.687 37.756 39.000 -0.928 0.000 1.001 493 F HN -0.142 nan 8.300 nan 0.000 0.508 494 K N 0.185 120.358 120.400 -0.379 0.000 2.382 494 K HA 0.451 4.771 4.320 -0.000 0.000 0.275 494 K C 0.957 177.458 176.600 -0.165 0.000 1.009 494 K CA 0.231 56.328 56.287 -0.317 0.000 0.970 494 K CB 0.629 32.947 32.500 -0.304 0.000 0.934 494 K HN 0.492 nan 8.250 nan 0.000 0.479 495 G N 1.411 110.013 108.800 -0.329 0.000 2.136 495 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.242 495 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.242 495 G C 0.129 174.911 174.900 -0.198 0.000 0.989 495 G CA 0.403 45.286 45.100 -0.361 0.000 0.682 495 G HN 1.068 nan 8.290 nan 0.000 0.522 496 T N -2.592 111.857 114.554 -0.174 0.000 2.893 496 T HA 0.701 5.051 4.350 -0.000 0.000 0.279 496 T C -0.372 174.324 174.700 -0.006 0.000 0.991 496 T CA -0.867 61.302 62.100 0.115 0.000 0.950 496 T CB 1.856 70.883 68.868 0.265 0.000 1.223 496 T HN 0.324 nan 8.240 nan 0.000 0.585 497 Y N -0.181 120.147 120.300 0.047 0.000 2.328 497 Y HA 0.519 5.069 4.550 -0.000 0.000 0.333 497 Y C -0.163 175.668 175.900 -0.116 0.000 0.958 497 Y CA -1.497 56.618 58.100 0.026 0.000 1.167 497 Y CB 0.752 39.232 38.460 0.033 0.000 1.151 497 Y HN 0.452 nan 8.280 nan 0.000 0.470 498 I N 3.843 124.366 120.570 -0.078 0.000 2.517 498 I HA 0.043 4.213 4.170 -0.000 0.000 0.285 498 I C -0.405 175.656 176.117 -0.093 0.000 1.106 498 I CA 0.293 61.389 61.300 -0.339 0.000 1.402 498 I CB -0.153 37.720 38.000 -0.212 0.000 1.399 498 I HN 0.530 nan 8.210 nan 0.000 0.535 499 C N 6.073 125.259 119.300 -0.189 0.000 2.386 499 C HA 0.599 5.059 4.460 -0.000 0.000 0.318 499 C C 0.924 175.862 174.990 -0.087 0.000 1.128 499 C CA -1.269 57.712 59.018 -0.062 0.000 1.438 499 C CB 0.061 27.764 27.740 -0.063 0.000 1.987 499 C HN 0.998 nan 8.230 nan 0.000 0.426 500 G N 3.338 112.115 108.800 -0.037 0.000 2.474 500 G HA2 0.457 4.417 3.960 -0.000 0.000 0.233 500 G HA3 0.457 4.417 3.960 -0.000 0.000 0.233 500 G C -0.129 174.739 174.900 -0.053 0.000 1.278 500 G CA 0.581 45.659 45.100 -0.036 0.000 0.861 500 G HN 0.697 nan 8.290 nan 0.000 0.567 501 T N 0.450 114.970 114.554 -0.057 0.000 2.864 501 T HA 0.506 4.856 4.350 -0.000 0.000 0.299 501 T C -1.144 173.526 174.700 -0.050 0.000 1.166 501 T CA -0.518 61.541 62.100 -0.069 0.000 1.007 501 T CB 1.835 70.629 68.868 -0.124 0.000 1.219 501 T HN 0.662 nan 8.240 nan 0.000 0.506 502 L N 2.576 123.770 121.223 -0.048 0.000 2.471 502 L HA 0.695 5.035 4.340 -0.000 0.000 0.263 502 L C -0.449 176.400 176.870 -0.034 0.000 0.985 502 L CA -0.214 54.606 54.840 -0.032 0.000 0.868 502 L CB 0.986 43.030 42.059 -0.024 0.000 1.203 502 L HN 0.782 nan 8.230 nan 0.000 0.429 503 S N 2.074 117.754 115.700 -0.033 0.000 2.607 503 S HA 1.019 5.489 4.470 -0.000 0.000 0.303 503 S C -0.141 174.455 174.600 -0.007 0.000 1.086 503 S CA 0.024 58.207 58.200 -0.028 0.000 0.995 503 S CB 1.931 65.104 63.200 -0.044 0.000 1.084 503 S HN 0.887 nan 8.310 nan 0.000 0.507 504 T N -2.029 112.525 114.554 0.001 0.000 2.853 504 T HA 0.692 5.042 4.350 -0.000 0.000 0.311 504 T C -1.054 173.656 174.700 0.017 0.000 1.307 504 T CA -0.738 61.367 62.100 0.009 0.000 1.019 504 T CB 0.868 69.741 68.868 0.007 0.000 1.264 504 T HN 0.723 nan 8.240 nan 0.000 0.497 505 V N 0.868 120.795 119.914 0.021 0.000 2.815 505 V HA 0.591 4.711 4.120 -0.000 0.000 0.314 505 V C -0.009 176.099 176.094 0.025 0.000 1.064 505 V CA -0.989 61.327 62.300 0.027 0.000 0.952 505 V CB 1.797 33.639 31.823 0.032 0.000 1.020 505 V HN 1.056 nan 8.190 nan 0.000 0.439 506 E N 2.674 122.891 120.200 0.029 0.000 2.130 506 E HA 0.389 4.739 4.350 -0.000 0.000 0.284 506 E C -0.944 175.671 176.600 0.024 0.000 1.018 506 E CA -0.452 55.963 56.400 0.025 0.000 0.817 506 E CB 0.867 30.583 29.700 0.026 0.000 1.078 506 E HN 0.562 nan 8.360 nan 0.000 0.396 507 I N 7.935 128.517 120.570 0.020 0.000 2.436 507 I HA 0.129 4.299 4.170 -0.000 0.000 0.289 507 I C -1.404 174.723 176.117 0.018 0.000 1.083 507 I CA -1.593 59.718 61.300 0.019 0.000 1.372 507 I CB 0.424 38.433 38.000 0.015 0.000 1.408 507 I HN 0.432 nan 8.210 nan 0.000 0.516 508 P HA 0.046 nan 4.420 nan 0.000 0.274 508 P C 0.165 177.474 177.300 0.014 0.000 1.264 508 P CA -0.208 62.902 63.100 0.018 0.000 0.795 508 P CB 0.715 32.427 31.700 0.019 0.000 1.064 509 E N 1.325 121.533 120.200 0.013 0.000 2.086 509 E HA -0.083 4.267 4.350 -0.000 0.000 0.223 509 E C 1.070 177.676 176.600 0.010 0.000 0.881 509 E CA 0.878 57.284 56.400 0.011 0.000 1.137 509 E CB -1.100 28.606 29.700 0.010 0.000 0.985 509 E HN 0.337 nan 8.360 nan 0.000 0.559 510 N N 1.414 120.120 118.700 0.009 0.000 2.415 510 N HA -0.057 4.683 4.740 -0.000 0.000 0.174 510 N C 0.738 176.254 175.510 0.009 0.000 1.048 510 N CA 0.874 53.929 53.050 0.009 0.000 0.895 510 N CB -0.031 38.461 38.487 0.007 0.000 1.036 510 N HN 0.464 nan 8.380 nan 0.000 0.449 511 D N 1.235 121.641 120.400 0.010 0.000 2.652 511 D HA -0.076 4.564 4.640 -0.000 0.000 0.247 511 D C 0.002 176.310 176.300 0.013 0.000 1.232 511 D CA -0.091 53.916 54.000 0.011 0.000 0.863 511 D CB -0.331 40.476 40.800 0.012 0.000 1.023 511 D HN 0.076 nan 8.370 nan 0.000 0.474 512 E N 1.203 121.411 120.200 0.012 0.000 2.257 512 E HA -0.024 4.326 4.350 -0.000 0.000 0.278 512 E C 1.143 177.751 176.600 0.013 0.000 1.049 512 E CA -0.155 56.253 56.400 0.013 0.000 0.876 512 E CB 1.114 30.821 29.700 0.012 0.000 1.035 512 E HN 0.413 nan 8.360 nan 0.000 0.419 513 Q N 3.752 123.561 119.800 0.014 0.000 2.389 513 Q HA 0.100 4.440 4.340 -0.000 0.000 0.201 513 Q C 0.819 176.826 176.000 0.013 0.000 0.956 513 Q CA 0.045 55.856 55.803 0.013 0.000 0.871 513 Q CB 0.288 29.035 28.738 0.014 0.000 0.990 513 Q HN 0.575 nan 8.270 nan 0.000 0.554 514 Q N -0.500 119.309 119.800 0.015 0.000 2.171 514 Q HA 0.174 4.514 4.340 -0.000 0.000 0.230 514 Q C 0.291 176.302 176.000 0.017 0.000 0.748 514 Q CA -0.159 55.652 55.803 0.014 0.000 1.003 514 Q CB 0.821 29.566 28.738 0.012 0.000 1.351 514 Q HN 0.338 nan 8.270 nan 0.000 0.368 515 I N 0.283 120.865 120.570 0.020 0.000 2.286 515 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 515 I C 2.120 178.249 176.117 0.021 0.000 1.104 515 I CA 1.314 62.629 61.300 0.024 0.000 1.397 515 I CB -0.825 37.192 38.000 0.027 0.000 1.072 515 I HN 0.336 nan 8.210 nan 0.000 0.417 516 K N 1.000 121.410 120.400 0.018 0.000 2.107 516 K HA -0.237 4.083 4.320 -0.000 0.000 0.211 516 K C 2.046 178.655 176.600 0.014 0.000 1.049 516 K CA 2.352 58.648 56.287 0.015 0.000 0.927 516 K CB -0.036 32.471 32.500 0.013 0.000 0.714 516 K HN 0.277 nan 8.250 nan 0.000 0.452 517 T N 0.613 115.175 114.554 0.013 0.000 2.635 517 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 517 T C 1.620 176.327 174.700 0.012 0.000 1.040 517 T CA 1.849 63.956 62.100 0.011 0.000 1.156 517 T CB -0.317 68.558 68.868 0.010 0.000 0.863 517 T HN 0.352 nan 8.240 nan 0.000 0.430 518 E N 0.927 121.136 120.200 0.015 0.000 2.118 518 E HA -0.044 4.306 4.350 -0.000 0.000 0.195 518 E C 2.253 178.864 176.600 0.018 0.000 0.992 518 E CA 1.152 57.561 56.400 0.016 0.000 0.804 518 E CB -0.504 29.209 29.700 0.022 0.000 0.741 518 E HN 0.473 nan 8.360 nan 0.000 0.458 519 A N 0.649 123.481 122.820 0.019 0.000 1.933 519 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 519 A C 1.779 179.372 177.584 0.015 0.000 1.175 519 A CA 1.635 53.683 52.037 0.019 0.000 0.628 519 A CB -0.478 18.532 19.000 0.018 0.000 0.814 519 A HN 0.285 nan 8.150 nan 0.000 0.444 520 E N -0.021 120.187 120.200 0.013 0.000 2.511 520 E HA -0.005 4.345 4.350 -0.000 0.000 0.196 520 E C 0.082 176.689 176.600 0.011 0.000 1.066 520 E CA 0.059 56.466 56.400 0.011 0.000 0.871 520 E CB 0.046 29.752 29.700 0.010 0.000 0.863 520 E HN 0.479 nan 8.360 nan 0.000 0.520 521 K N 1.663 122.070 120.400 0.012 0.000 2.237 521 K HA 0.152 4.472 4.320 -0.000 0.000 0.270 521 K C -0.036 176.573 176.600 0.015 0.000 1.015 521 K CA -0.116 56.178 56.287 0.013 0.000 0.949 521 K CB 0.824 33.331 32.500 0.012 0.000 0.976 521 K HN -0.112 nan 8.250 nan 0.000 0.472 522 K N 1.153 121.562 120.400 0.015 0.000 2.382 522 K HA 0.062 4.382 4.320 -0.000 0.000 0.275 522 K C -0.017 176.597 176.600 0.023 0.000 1.009 522 K CA -0.087 56.210 56.287 0.017 0.000 0.970 522 K CB 0.697 33.207 32.500 0.017 0.000 0.934 522 K HN 0.446 nan 8.250 nan 0.000 0.479 523 S N 1.968 117.679 115.700 0.018 0.000 2.579 523 S HA 0.052 4.522 4.470 -0.000 0.000 0.275 523 S C -0.141 174.476 174.600 0.029 0.000 1.345 523 S CA -0.465 57.746 58.200 0.018 0.000 1.031 523 S CB 0.625 63.821 63.200 -0.006 0.000 0.892 523 S HN 0.404 nan 8.310 nan 0.000 0.529 524 Q N 0.275 120.100 119.800 0.041 0.000 2.413 524 Q HA 0.350 4.690 4.340 -0.000 0.000 0.276 524 Q C -0.907 175.101 176.000 0.012 0.000 1.099 524 Q CA -0.670 55.171 55.803 0.064 0.000 0.814 524 Q CB 1.764 30.585 28.738 0.139 0.000 1.379 524 Q HN 0.517 nan 8.270 nan 0.000 0.436 525 T N 2.534 117.112 114.554 0.041 0.000 2.817 525 T HA 0.152 4.502 4.350 -0.000 0.000 0.295 525 T C -0.015 174.673 174.700 -0.021 0.000 0.958 525 T CA 0.431 62.524 62.100 -0.011 0.000 1.157 525 T CB -0.023 68.863 68.868 0.030 0.000 0.898 525 T HN 0.290 nan 8.240 nan 0.000 0.536 526 M N 3.247 122.729 119.600 -0.198 0.000 2.249 526 M HA 0.315 4.795 4.480 -0.000 0.000 0.351 526 M C -0.830 175.363 176.300 -0.179 0.000 1.180 526 M CA -0.389 54.772 55.300 -0.233 0.000 1.127 526 M CB 0.859 33.179 32.600 -0.465 0.000 1.546 526 M HN 0.509 nan 8.290 nan 0.000 0.461 527 Y N 2.337 122.553 120.300 -0.141 0.000 2.841 527 Y HA 0.389 4.939 4.550 -0.000 0.000 0.329 527 Y C -0.129 175.748 175.900 -0.038 0.000 1.062 527 Y CA -0.693 57.367 58.100 -0.065 0.000 1.281 527 Y CB 0.200 38.587 38.460 -0.122 0.000 1.147 527 Y HN 0.319 nan 8.280 nan 0.000 0.521 528 V N 4.393 124.309 119.914 0.003 0.000 2.881 528 V HA 0.579 4.699 4.120 -0.000 0.000 0.303 528 V C 0.135 176.248 176.094 0.030 0.000 1.070 528 V CA -0.201 62.057 62.300 -0.070 0.000 1.074 528 V CB 1.224 32.767 31.823 -0.466 0.000 1.012 528 V HN 0.515 nan 8.190 nan 0.000 0.482 529 V N 1.558 121.535 119.914 0.106 0.000 3.314 529 V HA 0.518 4.638 4.120 -0.000 0.000 0.285 529 V C -0.800 175.565 176.094 0.452 0.000 1.630 529 V CA -0.924 61.528 62.300 0.254 0.000 1.054 529 V CB 1.820 33.852 31.823 0.349 0.000 1.191 529 V HN 0.661 nan 8.190 nan 0.000 0.472 530 T N 1.116 115.923 114.554 0.421 0.000 2.809 530 T HA 0.948 5.298 4.350 -0.000 0.000 0.284 530 T C -0.215 174.662 174.700 0.295 0.000 0.992 530 T CA 0.289 62.638 62.100 0.415 0.000 0.957 530 T CB 1.160 70.257 68.868 0.382 0.000 0.942 530 T HN 1.803 nan 8.240 nan 0.000 0.439 531 A N 2.780 125.754 122.820 0.257 0.000 2.549 531 A HA 0.564 4.884 4.320 -0.000 0.000 0.291 531 A C -1.602 176.099 177.584 0.195 0.000 1.034 531 A CA -0.982 51.176 52.037 0.201 0.000 0.655 531 A CB 0.750 19.859 19.000 0.181 0.000 1.299 531 A HN 0.625 nan 8.150 nan 0.000 0.427 532 D N -0.071 120.426 120.400 0.163 0.000 2.399 532 D HA 0.455 5.095 4.640 -0.000 0.000 0.241 532 D C -1.129 175.316 176.300 0.242 0.000 1.133 532 D CA 1.232 55.336 54.000 0.174 0.000 0.890 532 D CB 0.924 41.790 40.800 0.110 0.000 1.201 532 D HN 0.444 nan 8.370 nan 0.000 0.432 533 F N 2.212 122.196 119.950 0.057 0.000 3.090 533 F HA 0.218 4.745 4.527 -0.000 0.000 0.381 533 F C -0.003 175.830 175.800 0.054 0.000 1.231 533 F CA -0.710 57.286 58.000 -0.007 0.000 1.177 533 F CB 0.388 39.332 39.000 -0.092 0.000 1.598 533 F HN 0.091 nan 8.300 nan 0.000 0.589 534 K N 2.607 122.824 120.400 -0.305 0.000 2.976 534 K HA 0.179 4.499 4.320 -0.000 0.000 0.335 534 K C 0.752 176.988 176.600 -0.607 0.000 0.990 534 K CA -0.198 55.885 56.287 -0.341 0.000 1.231 534 K CB 0.365 32.762 32.500 -0.173 0.000 1.331 534 K HN 0.434 nan 8.250 nan 0.000 0.556 535 D N 0.562 120.748 120.400 -0.357 0.000 2.077 535 D HA -0.130 4.510 4.640 -0.000 0.000 0.193 535 D C 1.735 177.858 176.300 -0.294 0.000 0.989 535 D CA 2.173 55.984 54.000 -0.315 0.000 0.831 535 D CB -0.196 40.501 40.800 -0.171 0.000 0.979 535 D HN 0.604 nan 8.370 nan 0.000 0.449 536 T N -1.572 112.865 114.554 -0.195 0.000 2.985 536 T HA 0.237 4.587 4.350 -0.000 0.000 0.254 536 T C 0.733 175.366 174.700 -0.112 0.000 1.021 536 T CA -0.385 61.641 62.100 -0.124 0.000 0.957 536 T CB 0.123 68.938 68.868 -0.087 0.000 1.047 536 T HN 0.023 nan 8.240 nan 0.000 0.511 537 I N -0.357 120.135 120.570 -0.130 0.000 2.603 537 I HA 0.756 4.926 4.170 -0.000 0.000 0.300 537 I C -0.882 175.190 176.117 -0.075 0.000 1.017 537 I CA -2.063 59.170 61.300 -0.110 0.000 1.098 537 I CB 1.949 39.896 38.000 -0.088 0.000 1.279 537 I HN -0.217 nan 8.210 nan 0.000 0.437 538 V N 4.623 124.450 119.914 -0.145 0.000 2.284 538 V HA 0.423 4.543 4.120 -0.000 0.000 0.274 538 V C 0.149 176.177 176.094 -0.110 0.000 1.023 538 V CA -0.684 61.523 62.300 -0.154 0.000 0.808 538 V CB 0.282 31.724 31.823 -0.635 0.000 1.035 538 V HN 0.673 nan 8.190 nan 0.000 0.445 539 K N 6.102 126.493 120.400 -0.016 0.000 2.118 539 K HA 0.458 4.778 4.320 -0.000 0.000 0.267 539 K C -2.484 174.145 176.600 0.050 0.000 0.991 539 K CA -1.726 54.566 56.287 0.008 0.000 0.916 539 K CB 1.578 34.091 32.500 0.022 0.000 1.041 539 K HN 0.345 nan 8.250 nan 0.000 0.455 540 P HA -0.009 nan 4.420 nan 0.000 0.271 540 P C -1.204 176.177 177.300 0.135 0.000 1.218 540 P CA -0.166 62.995 63.100 0.102 0.000 0.780 540 P CB 1.040 32.790 31.700 0.083 0.000 0.901 541 Q N 1.908 121.815 119.800 0.179 0.000 2.274 541 Q HA 0.214 4.554 4.340 -0.000 0.000 0.268 541 Q C -0.327 175.826 176.000 0.256 0.000 1.015 541 Q CA -0.409 55.520 55.803 0.210 0.000 0.775 541 Q CB 0.671 29.500 28.738 0.151 0.000 1.256 541 Q HN 0.545 nan 8.270 nan 0.000 0.442 542 H N 2.331 121.456 119.070 0.092 0.000 2.577 542 H HA 0.491 5.047 4.556 -0.000 0.000 0.306 542 H C -0.893 174.492 175.328 0.095 0.000 1.109 542 H CA -0.563 55.550 56.048 0.107 0.000 1.063 542 H CB 0.242 30.061 29.762 0.095 0.000 1.535 542 H HN 0.360 nan 8.280 nan 0.000 0.532 543 K N 1.525 121.865 120.400 -0.100 0.000 2.992 543 K HA 0.216 4.536 4.320 -0.000 0.000 0.178 543 K C -0.753 175.795 176.600 -0.087 0.000 1.122 543 K CA -0.642 55.557 56.287 -0.147 0.000 0.926 543 K CB 0.353 32.736 32.500 -0.194 0.000 1.121 543 K HN 0.229 nan 8.250 nan 0.000 0.610 544 I N 1.416 121.915 120.570 -0.118 0.000 3.055 544 I HA -0.007 4.163 4.170 -0.000 0.000 0.308 544 I C -0.316 175.672 176.117 -0.215 0.000 1.224 544 I CA 1.611 62.761 61.300 -0.250 0.000 1.443 544 I CB 0.483 38.097 38.000 -0.643 0.000 1.318 544 I HN 0.531 nan 8.210 nan 0.000 0.577 545 S N 5.550 121.117 115.700 -0.222 0.000 2.578 545 S HA 0.559 5.029 4.470 -0.000 0.000 0.272 545 S C -2.505 171.982 174.600 -0.188 0.000 1.145 545 S CA -0.822 57.279 58.200 -0.165 0.000 0.835 545 S CB 1.711 64.858 63.200 -0.087 0.000 1.104 545 S HN 0.433 nan 8.310 nan 0.000 0.458 546 P HA 0.064 nan 4.420 nan 0.000 0.236 546 P C 0.161 177.394 177.300 -0.111 0.000 1.172 546 P CA 0.912 63.917 63.100 -0.158 0.000 0.759 546 P CB -0.070 31.564 31.700 -0.109 0.000 0.843 547 Q N -2.091 117.666 119.800 -0.073 0.000 2.164 547 Q HA 0.185 4.525 4.340 -0.000 0.000 0.226 547 Q C 0.691 176.736 176.000 0.076 0.000 0.813 547 Q CA 0.037 55.832 55.803 -0.014 0.000 0.978 547 Q CB 0.440 29.161 28.738 -0.029 0.000 1.149 547 Q HN -0.038 nan 8.270 nan 0.000 0.489 548 K N 0.780 121.200 120.400 0.033 0.000 2.593 548 K HA 0.286 4.606 4.320 -0.000 0.000 0.208 548 K C -0.863 175.807 176.600 0.116 0.000 1.051 548 K CA 0.037 56.386 56.287 0.103 0.000 1.111 548 K CB 0.660 33.194 32.500 0.057 0.000 0.849 548 K HN 0.062 nan 8.250 nan 0.000 0.479 549 L N 1.712 122.974 121.223 0.064 0.000 2.259 549 L HA 0.398 4.738 4.340 -0.000 0.000 0.288 549 L C -0.140 176.892 176.870 0.270 0.000 1.051 549 L CA -1.113 53.753 54.840 0.043 0.000 0.824 549 L CB 0.749 42.531 42.059 -0.461 0.000 1.206 549 L HN -0.140 nan 8.230 nan 0.000 0.429 550 V N 1.853 122.020 119.914 0.422 0.000 2.769 550 V HA 0.816 4.936 4.120 -0.000 0.000 0.312 550 V C -0.203 176.129 176.094 0.397 0.000 1.058 550 V CA -0.650 61.851 62.300 0.334 0.000 0.952 550 V CB 2.210 34.213 31.823 0.299 0.000 1.019 550 V HN 0.366 nan 8.190 nan 0.000 0.445 551 V N 3.173 123.264 119.914 0.296 0.000 2.841 551 V HA 0.516 4.636 4.120 -0.000 0.000 0.310 551 V C -1.349 174.834 176.094 0.148 0.000 1.090 551 V CA -0.540 61.886 62.300 0.209 0.000 0.930 551 V CB 1.826 33.741 31.823 0.153 0.000 1.014 551 V HN 1.010 nan 8.190 nan 0.000 0.425 552 Y N 6.167 126.366 120.300 -0.168 0.000 2.361 552 Y HA 0.841 5.391 4.550 -0.000 0.000 0.337 552 Y C -0.823 175.053 175.900 -0.040 0.000 0.965 552 Y CA -1.231 56.610 58.100 -0.430 0.000 1.091 552 Y CB 1.657 39.389 38.460 -1.215 0.000 1.182 552 Y HN 0.719 nan 8.280 nan 0.000 0.450 553 F N 1.842 121.208 119.950 -0.973 0.000 2.944 553 F HA 0.275 4.802 4.527 -0.000 0.000 0.324 553 F C -1.543 173.926 175.800 -0.552 0.000 1.151 553 F CA -1.370 56.194 58.000 -0.727 0.000 0.883 553 F CB 0.810 39.592 39.000 -0.363 0.000 1.341 553 F HN 0.179 nan 8.300 nan 0.000 0.456 554 D N 2.246 122.306 120.400 -0.568 0.000 2.600 554 D HA 0.296 4.936 4.640 -0.000 0.000 0.226 554 D C 0.547 176.370 176.300 -0.795 0.000 1.119 554 D CA 0.534 54.215 54.000 -0.532 0.000 1.051 554 D CB 0.536 41.184 40.800 -0.253 0.000 1.106 554 D HN 0.875 nan 8.370 nan 0.000 0.491 555 G N 1.906 109.899 108.800 -1.345 0.000 2.535 555 G HA2 0.335 4.295 3.960 -0.000 0.000 0.282 555 G HA3 0.335 4.295 3.960 -0.000 0.000 0.282 555 G C -2.205 172.516 174.900 -0.299 0.000 1.350 555 G CA -0.769 43.518 45.100 -1.355 0.000 1.039 555 G HN 0.148 nan 8.290 nan 0.000 0.509 556 P HA 0.230 nan 4.420 nan 0.000 0.274 556 P C -0.506 176.893 177.300 0.166 0.000 1.237 556 P CA -0.029 63.114 63.100 0.072 0.000 0.793 556 P CB 1.671 33.425 31.700 0.089 0.000 0.977 557 E N -0.164 120.082 120.200 0.077 0.000 2.526 557 E HA 0.105 4.455 4.350 -0.000 0.000 0.208 557 E C 0.046 176.671 176.600 0.042 0.000 0.997 557 E CA -0.028 56.398 56.400 0.044 0.000 0.961 557 E CB 0.427 30.134 29.700 0.012 0.000 1.030 557 E HN 0.417 nan 8.360 nan 0.000 0.483 558 K N 2.650 123.084 120.400 0.057 0.000 2.138 558 K HA 0.094 4.414 4.320 -0.000 0.000 0.263 558 K C -0.484 176.158 176.600 0.069 0.000 0.965 558 K CA -0.722 55.594 56.287 0.049 0.000 0.868 558 K CB 1.045 33.569 32.500 0.040 0.000 1.083 558 K HN 0.033 nan 8.250 nan 0.000 0.443 559 D N 3.802 124.236 120.400 0.057 0.000 2.472 559 D HA 0.124 4.764 4.640 -0.000 0.000 0.248 559 D C -0.262 176.081 176.300 0.072 0.000 1.174 559 D CA -0.044 53.996 54.000 0.068 0.000 0.883 559 D CB 0.092 40.922 40.800 0.049 0.000 1.149 559 D HN 0.304 nan 8.370 nan 0.000 0.488 560 L N -0.964 120.316 121.223 0.095 0.000 2.947 560 L HA 0.528 4.868 4.340 -0.000 0.000 0.267 560 L C -0.929 176.003 176.870 0.105 0.000 1.004 560 L CA -0.909 53.982 54.840 0.085 0.000 0.937 560 L CB 1.304 43.408 42.059 0.075 0.000 1.496 560 L HN 0.296 nan 8.230 nan 0.000 0.409 561 T N -0.230 114.374 114.554 0.083 0.000 2.788 561 T HA 0.682 5.032 4.350 -0.000 0.000 0.296 561 T C -0.283 174.460 174.700 0.071 0.000 1.009 561 T CA -0.334 61.817 62.100 0.085 0.000 0.949 561 T CB 0.947 69.855 68.868 0.066 0.000 0.946 561 T HN 0.899 nan 8.240 nan 0.000 0.453 562 M N 2.867 122.513 119.600 0.078 0.000 2.336 562 M HA 0.531 5.010 4.480 -0.000 0.000 0.342 562 M C -1.002 175.319 176.300 0.036 0.000 1.128 562 M CA -0.419 54.912 55.300 0.052 0.000 1.016 562 M CB 1.414 34.046 32.600 0.054 0.000 1.665 562 M HN 0.599 nan 8.290 nan 0.000 0.445 563 S N 3.164 118.876 115.700 0.020 0.000 2.454 563 S HA 0.888 5.358 4.470 -0.000 0.000 0.306 563 S C -0.969 173.627 174.600 -0.007 0.000 1.100 563 S CA -0.801 57.407 58.200 0.012 0.000 1.087 563 S CB 1.649 64.858 63.200 0.015 0.000 1.019 563 S HN 0.776 nan 8.310 nan 0.000 0.480 564 A N 2.130 124.941 122.820 -0.014 0.000 2.515 564 A HA 0.788 5.108 4.320 -0.000 0.000 0.298 564 A C -0.701 176.875 177.584 -0.013 0.000 1.059 564 A CA -0.782 51.234 52.037 -0.035 0.000 0.698 564 A CB 1.482 20.426 19.000 -0.093 0.000 1.289 564 A HN 0.560 nan 8.150 nan 0.000 0.404 565 T N 2.616 117.160 114.554 -0.017 0.000 2.893 565 T HA 0.542 4.892 4.350 -0.000 0.000 0.324 565 T C -0.425 174.267 174.700 -0.014 0.000 1.082 565 T CA -0.138 61.962 62.100 -0.001 0.000 0.983 565 T CB -0.271 68.595 68.868 -0.003 0.000 1.005 565 T HN 0.730 nan 8.240 nan 0.000 0.475 566 L N 0.887 122.110 121.223 -0.000 0.000 2.319 566 L HA 1.003 5.343 4.340 -0.000 0.000 0.267 566 L C 0.046 176.918 176.870 0.004 0.000 1.011 566 L CA -0.991 53.839 54.840 -0.017 0.000 0.818 566 L CB 1.891 43.924 42.059 -0.044 0.000 1.316 566 L HN 0.457 nan 8.230 nan 0.000 0.432 567 S N 0.086 115.779 115.700 -0.011 0.000 2.647 567 S HA 0.698 5.168 4.470 -0.000 0.000 0.300 567 S C -2.752 171.873 174.600 0.041 0.000 1.129 567 S CA -1.283 56.910 58.200 -0.010 0.000 1.029 567 S CB 1.623 64.774 63.200 -0.081 0.000 1.007 567 S HN 0.651 nan 8.310 nan 0.000 0.484 568 P HA 0.166 nan 4.420 nan 0.000 0.266 568 P C -0.405 177.209 177.300 0.523 0.000 1.195 568 P CA -0.315 63.015 63.100 0.382 0.000 0.768 568 P CB 0.742 32.798 31.700 0.593 0.000 0.838 569 L N 1.263 122.901 121.223 0.692 0.000 3.154 569 L HA 0.460 4.800 4.340 -0.000 0.000 0.280 569 L C 1.115 178.463 176.870 0.795 0.000 1.134 569 L CA 0.624 55.937 54.840 0.789 0.000 1.037 569 L CB 0.239 42.533 42.059 0.392 0.000 1.571 569 L HN 0.606 nan 8.230 nan 0.000 0.576 570 G N -1.971 107.092 108.800 0.438 0.000 2.645 570 G HA2 0.441 4.401 3.960 -0.000 0.000 0.292 570 G HA3 0.441 4.401 3.960 -0.000 0.000 0.292 570 G C -2.452 172.358 174.900 -0.150 0.000 1.415 570 G CA -0.369 44.759 45.100 0.046 0.000 0.785 570 G HN -0.280 nan 8.290 nan 0.000 0.483 571 Y N 0.045 120.093 120.300 -0.421 0.000 2.468 571 Y HA 0.644 5.194 4.550 -0.000 0.000 0.342 571 Y C 0.191 175.982 175.900 -0.182 0.000 1.021 571 Y CA -0.695 57.100 58.100 -0.507 0.000 1.079 571 Y CB 2.413 40.471 38.460 -0.670 0.000 1.226 571 Y HN 0.447 nan 8.280 nan 0.000 0.460 572 T N 7.632 121.852 114.554 -0.557 0.000 2.863 572 T HA 0.178 4.528 4.350 -0.000 0.000 0.299 572 T C -0.377 174.076 174.700 -0.412 0.000 0.973 572 T CA -0.393 61.599 62.100 -0.181 0.000 0.994 572 T CB -0.497 68.388 68.868 0.030 0.000 0.961 572 T HN 0.544 nan 8.240 nan 0.000 0.552 573 L N 5.208 126.338 121.223 -0.154 0.000 2.605 573 L HA -0.035 4.305 4.340 -0.000 0.000 0.296 573 L C 0.868 177.755 176.870 0.028 0.000 1.255 573 L CA 0.914 55.709 54.840 -0.075 0.000 0.879 573 L CB 0.364 42.294 42.059 -0.215 0.000 1.124 573 L HN 0.479 nan 8.230 nan 0.000 0.507 574 V N 1.873 121.837 119.914 0.084 0.000 2.996 574 V HA 0.299 4.419 4.120 -0.000 0.000 0.235 574 V C -0.155 176.070 176.094 0.219 0.000 1.205 574 V CA 0.968 63.330 62.300 0.103 0.000 1.225 574 V CB 0.280 32.147 31.823 0.073 0.000 0.995 574 V HN 1.012 nan 8.190 nan 0.000 0.484 575 D N -1.954 118.556 120.400 0.183 0.000 2.970 575 D HA 0.144 4.784 4.640 -0.000 0.000 0.344 575 D C 0.632 176.961 176.300 0.048 0.000 1.365 575 D CA -0.386 53.710 54.000 0.160 0.000 0.910 575 D CB 0.938 41.792 40.800 0.091 0.000 1.445 575 D HN -0.163 nan 8.370 nan 0.000 0.532 576 E N -0.368 119.822 120.200 -0.017 0.000 2.077 576 E HA -0.059 4.291 4.350 -0.000 0.000 0.193 576 E C 0.141 176.694 176.600 -0.079 0.000 0.989 576 E CA 1.172 57.537 56.400 -0.059 0.000 0.800 576 E CB -0.161 29.496 29.700 -0.071 0.000 0.746 576 E HN 0.393 nan 8.360 nan 0.000 0.452 577 Q N 1.813 121.567 119.800 -0.078 0.000 2.310 577 Q HA -0.008 4.332 4.340 -0.000 0.000 0.315 577 Q C -2.085 173.793 176.000 -0.202 0.000 1.081 577 Q CA -0.857 54.867 55.803 -0.131 0.000 0.981 577 Q CB 0.282 28.957 28.738 -0.105 0.000 1.184 577 Q HN 0.237 nan 8.270 nan 0.000 0.389 578 P HA 0.019 nan 4.420 nan 0.000 0.275 578 P C -0.657 176.333 177.300 -0.517 0.000 1.228 578 P CA -0.220 62.609 63.100 -0.453 0.000 0.786 578 P CB 0.682 31.998 31.700 -0.640 0.000 0.927 579 V N 2.324 121.946 119.914 -0.488 0.000 2.557 579 V HA 0.218 4.338 4.120 -0.000 0.000 0.301 579 V C 1.786 177.640 176.094 -0.400 0.000 1.026 579 V CA 1.741 63.736 62.300 -0.508 0.000 1.137 579 V CB -0.649 30.741 31.823 -0.723 0.000 0.917 579 V HN 1.097 nan 8.190 nan 0.000 0.484 580 G N 3.753 112.402 108.800 -0.252 0.000 2.141 580 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.242 580 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.242 580 G C 1.039 175.822 174.900 -0.196 0.000 0.982 580 G CA 0.621 45.647 45.100 -0.123 0.000 0.662 580 G HN 0.900 nan 8.290 nan 0.000 0.527 581 S N -1.188 114.316 115.700 -0.326 0.000 2.395 581 S HA 0.236 4.706 4.470 -0.000 0.000 0.225 581 S C 1.277 175.950 174.600 0.122 0.000 1.027 581 S CA 1.305 59.331 58.200 -0.290 0.000 0.965 581 S CB 0.008 62.953 63.200 -0.426 0.000 0.812 581 S HN 0.805 nan 8.310 nan 0.000 0.482 582 V N 2.544 122.517 119.914 0.098 0.000 2.406 582 V HA 0.308 4.428 4.120 -0.000 0.000 0.272 582 V C 1.317 177.449 176.094 0.064 0.000 1.043 582 V CA 0.079 62.437 62.300 0.097 0.000 0.915 582 V CB 1.082 32.921 31.823 0.026 0.000 0.988 582 V HN 0.415 nan 8.190 nan 0.000 0.466 583 S N 4.634 120.207 115.700 -0.212 0.000 2.359 583 S HA -0.189 4.281 4.470 -0.000 0.000 0.222 583 S C 2.106 176.579 174.600 -0.211 0.000 1.038 583 S CA 2.382 60.203 58.200 -0.633 0.000 1.051 583 S CB -0.264 62.443 63.200 -0.823 0.000 0.944 583 S HN 1.067 nan 8.310 nan 0.000 0.433 584 S N 0.408 116.011 115.700 -0.161 0.000 2.528 584 S HA -0.022 4.448 4.470 -0.000 0.000 0.244 584 S C 1.662 176.206 174.600 -0.093 0.000 0.982 584 S CA 0.953 59.057 58.200 -0.160 0.000 0.953 584 S CB -0.426 62.672 63.200 -0.171 0.000 0.754 584 S HN 0.621 nan 8.310 nan 0.000 0.529 585 R N 0.430 120.936 120.500 0.010 0.000 2.365 585 R HA 0.293 4.633 4.340 -0.000 0.000 0.223 585 R C -0.620 175.787 176.300 0.179 0.000 0.899 585 R CA 0.012 56.166 56.100 0.089 0.000 1.059 585 R CB 0.463 30.814 30.300 0.084 0.000 1.086 585 R HN 0.293 nan 8.270 nan 0.000 0.522 586 V N 2.327 122.358 119.914 0.194 0.000 2.461 586 V HA 0.088 4.208 4.120 -0.000 0.000 0.275 586 V C 0.564 176.846 176.094 0.312 0.000 1.047 586 V CA -0.516 61.948 62.300 0.274 0.000 0.955 586 V CB 1.629 33.643 31.823 0.319 0.000 0.988 586 V HN -0.061 nan 8.190 nan 0.000 0.471 587 V N 6.938 127.068 119.914 0.361 0.000 2.248 587 V HA -0.022 4.098 4.120 -0.000 0.000 0.230 587 V C 1.198 177.517 176.094 0.376 0.000 1.383 587 V CA 0.141 62.664 62.300 0.372 0.000 1.442 587 V CB -1.672 30.416 31.823 0.443 0.000 1.472 587 V HN 0.766 nan 8.190 nan 0.000 0.490 588 R N 2.957 123.611 120.500 0.256 0.000 2.457 588 R HA 0.102 4.442 4.340 -0.000 0.000 0.335 588 R C 1.310 177.698 176.300 0.146 0.000 1.003 588 R CA -0.096 56.119 56.100 0.191 0.000 1.003 588 R CB 0.243 30.618 30.300 0.125 0.000 0.950 588 R HN 0.620 nan 8.270 nan 0.000 0.428 589 I N 1.580 122.302 120.570 0.253 0.000 2.614 589 I HA -0.248 3.922 4.170 -0.000 0.000 0.258 589 I C 1.060 177.228 176.117 0.085 0.000 1.189 589 I CA 1.891 63.300 61.300 0.183 0.000 1.462 589 I CB 0.203 38.399 38.000 0.326 0.000 1.092 589 I HN 0.827 nan 8.210 nan 0.000 0.442 590 A N -0.972 121.899 122.820 0.084 0.000 2.373 590 A HA 0.159 4.479 4.320 -0.000 0.000 0.190 590 A C 0.560 178.181 177.584 0.062 0.000 1.544 590 A CA 0.360 52.428 52.037 0.052 0.000 1.699 590 A CB -0.058 18.977 19.000 0.059 0.000 1.614 590 A HN 0.261 nan 8.150 nan 0.000 0.667 591 T N 0.306 114.909 114.554 0.082 0.000 2.855 591 T HA 0.640 4.990 4.350 -0.000 0.000 0.281 591 T C -0.960 173.801 174.700 0.102 0.000 1.007 591 T CA -0.230 61.922 62.100 0.085 0.000 1.009 591 T CB 2.079 70.996 68.868 0.082 0.000 0.983 591 T HN 0.817 nan 8.240 nan 0.000 0.455 592 L N 3.993 125.279 121.223 0.106 0.000 2.295 592 L HA 0.519 4.859 4.340 -0.000 0.000 0.281 592 L C -2.731 174.215 176.870 0.126 0.000 1.018 592 L CA -2.203 52.710 54.840 0.123 0.000 0.841 592 L CB 0.659 42.789 42.059 0.117 0.000 1.218 592 L HN 0.370 nan 8.230 nan 0.000 0.424 593 P HA 0.196 nan 4.420 nan 0.000 0.266 593 P C -1.324 176.096 177.300 0.200 0.000 1.195 593 P CA 0.069 63.284 63.100 0.191 0.000 0.768 593 P CB 0.449 32.198 31.700 0.081 0.000 0.838 594 E N 1.348 121.592 120.200 0.073 0.000 2.433 594 E HA 0.809 5.159 4.350 -0.000 0.000 0.278 594 E C -1.848 174.404 176.600 -0.580 0.000 0.976 594 E CA -1.533 54.639 56.400 -0.380 0.000 0.793 594 E CB 1.955 31.459 29.700 -0.327 0.000 1.311 594 E HN 0.269 nan 8.360 nan 0.000 0.460 595 A N 1.626 123.891 122.820 -0.924 0.000 2.429 595 A HA 0.615 4.935 4.320 -0.000 0.000 0.289 595 A C -1.624 175.637 177.584 -0.537 0.000 1.043 595 A CA -0.699 51.020 52.037 -0.530 0.000 0.722 595 A CB 0.395 19.100 19.000 -0.493 0.000 1.243 595 A HN 0.444 nan 8.150 nan 0.000 0.415 596 F N 0.702 120.642 119.950 -0.015 0.000 2.408 596 F HA 0.527 5.054 4.527 -0.000 0.000 0.325 596 F C 1.362 177.172 175.800 0.017 0.000 1.082 596 F CA -0.293 57.697 58.000 -0.015 0.000 1.032 596 F CB 1.261 40.273 39.000 0.019 0.000 1.259 596 F HN 0.474 nan 8.300 nan 0.000 0.503 597 T N 1.282 115.933 114.554 0.162 0.000 2.946 597 T HA 0.057 4.407 4.350 -0.000 0.000 0.312 597 T C -0.423 174.322 174.700 0.076 0.000 1.066 597 T CA 0.190 62.288 62.100 -0.003 0.000 1.138 597 T CB 0.184 68.942 68.868 -0.183 0.000 1.014 597 T HN 0.485 nan 8.240 nan 0.000 0.544 598 Q N 1.152 121.006 119.800 0.089 0.000 2.274 598 Q HA 0.477 4.817 4.340 -0.000 0.000 0.268 598 Q C 0.739 176.713 176.000 -0.043 0.000 1.015 598 Q CA 0.100 55.931 55.803 0.047 0.000 0.775 598 Q CB 1.106 29.890 28.738 0.077 0.000 1.256 598 Q HN 0.876 nan 8.270 nan 0.000 0.442 599 G N 2.811 111.575 108.800 -0.060 0.000 2.815 599 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.326 599 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.326 599 G C 0.512 175.355 174.900 -0.096 0.000 1.191 599 G CA 0.301 45.365 45.100 -0.060 0.000 0.965 599 G HN 1.091 nan 8.290 nan 0.000 0.564 600 G N 0.361 109.118 108.800 -0.072 0.000 3.274 600 G HA2 0.410 4.370 3.960 -0.000 0.000 0.250 600 G HA3 0.410 4.370 3.960 -0.000 0.000 0.250 600 G C 0.229 175.110 174.900 -0.032 0.000 1.024 600 G CA 0.552 45.618 45.100 -0.056 0.000 0.840 600 G HN 0.617 nan 8.290 nan 0.000 0.522 601 N N 0.507 119.189 118.700 -0.030 0.000 2.443 601 N HA 0.474 5.214 4.740 -0.000 0.000 0.295 601 N C -1.534 174.025 175.510 0.082 0.000 1.076 601 N CA -0.103 53.044 53.050 0.161 0.000 0.919 601 N CB 1.634 40.278 38.487 0.260 0.000 1.176 601 N HN 0.038 nan 8.380 nan 0.000 0.487 602 Y N 0.287 120.657 120.300 0.117 0.000 2.468 602 Y HA 0.423 4.973 4.550 -0.000 0.000 0.342 602 Y C -1.982 173.657 175.900 -0.436 0.000 1.021 602 Y CA -2.088 55.950 58.100 -0.103 0.000 1.079 602 Y CB 1.397 39.802 38.460 -0.091 0.000 1.226 602 Y HN 0.382 nan 8.280 nan 0.000 0.460 603 P HA 0.335 nan 4.420 nan 0.000 0.273 603 P C -0.931 176.089 177.300 -0.466 0.000 1.250 603 P CA -0.079 62.500 63.100 -0.868 0.000 0.793 603 P CB 0.702 31.910 31.700 -0.820 0.000 1.011 604 I N -4.107 116.167 120.570 -0.493 0.000 2.908 604 I HA 0.542 4.712 4.170 -0.000 0.000 0.300 604 I C -1.416 174.344 176.117 -0.595 0.000 1.385 604 I CA -1.034 60.011 61.300 -0.426 0.000 1.004 604 I CB 1.783 39.612 38.000 -0.286 0.000 1.309 604 I HN 0.051 nan 8.210 nan 0.000 0.449 605 F N 2.401 122.071 119.950 -0.467 0.000 2.470 605 F HA 0.580 5.107 4.527 -0.000 0.000 0.329 605 F C -0.711 174.849 175.800 -0.401 0.000 1.072 605 F CA -0.463 57.259 58.000 -0.463 0.000 0.989 605 F CB 1.642 40.146 39.000 -0.828 0.000 1.193 605 F HN 0.326 nan 8.300 nan 0.000 0.481 606 Y N 1.532 121.923 120.300 0.151 0.000 2.335 606 Y HA 0.460 5.010 4.550 -0.000 0.000 0.339 606 Y C -0.229 175.722 175.900 0.084 0.000 0.987 606 Y CA -0.893 57.266 58.100 0.099 0.000 1.140 606 Y CB 1.134 39.652 38.460 0.097 0.000 1.173 606 Y HN 0.119 nan 8.280 nan 0.000 0.486 607 V N 4.808 124.801 119.914 0.131 0.000 2.498 607 V HA 0.145 4.265 4.120 -0.000 0.000 0.279 607 V C -0.001 176.127 176.094 0.056 0.000 1.048 607 V CA -0.389 61.972 62.300 0.101 0.000 0.967 607 V CB 0.706 32.552 31.823 0.038 0.000 0.988 607 V HN 0.902 nan 8.190 nan 0.000 0.473 608 N N 2.859 121.595 118.700 0.060 0.000 2.982 608 N HA 0.601 5.341 4.740 -0.000 0.000 0.319 608 N C -0.626 174.852 175.510 -0.054 0.000 1.372 608 N CA -0.901 52.162 53.050 0.022 0.000 0.735 608 N CB 0.869 39.404 38.487 0.079 0.000 1.158 608 N HN 0.507 nan 8.380 nan 0.000 0.505 609 K N 1.172 121.526 120.400 -0.077 0.000 2.690 609 K HA 0.310 4.630 4.320 -0.000 0.000 0.305 609 K C -1.670 174.811 176.600 -0.198 0.000 1.200 609 K CA -0.095 56.110 56.287 -0.136 0.000 1.071 609 K CB 0.790 33.225 32.500 -0.108 0.000 1.366 609 K HN 0.372 nan 8.250 nan 0.000 0.513 610 I N 2.738 123.081 120.570 -0.378 0.000 2.396 610 I HA 0.219 4.389 4.170 -0.000 0.000 0.292 610 I C 0.363 176.288 176.117 -0.320 0.000 0.999 610 I CA -0.668 60.268 61.300 -0.606 0.000 1.310 610 I CB 1.044 38.459 38.000 -0.976 0.000 1.404 610 I HN 0.205 nan 8.210 nan 0.000 0.496 611 K N 4.464 124.755 120.400 -0.182 0.000 2.368 611 K HA 0.313 4.633 4.320 -0.000 0.000 0.282 611 K C -0.591 175.941 176.600 -0.114 0.000 1.035 611 K CA -0.351 55.884 56.287 -0.087 0.000 0.973 611 K CB 1.162 33.683 32.500 0.035 0.000 0.957 611 K HN 0.327 nan 8.250 nan 0.000 0.474 612 V N 2.210 122.041 119.914 -0.139 0.000 2.785 612 V HA 0.113 4.233 4.120 -0.000 0.000 0.300 612 V C 1.418 177.448 176.094 -0.106 0.000 1.062 612 V CA 0.055 62.253 62.300 -0.169 0.000 1.029 612 V CB 1.581 33.195 31.823 -0.347 0.000 1.024 612 V HN 1.078 nan 8.190 nan 0.000 0.477 613 G N 0.675 109.442 108.800 -0.054 0.000 2.408 613 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.213 613 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.213 613 G C 1.261 175.912 174.900 -0.416 0.000 1.177 613 G CA 0.911 45.983 45.100 -0.045 0.000 0.802 613 G HN 0.763 nan 8.290 nan 0.000 0.533 614 Y N 0.932 120.800 120.300 -0.720 0.000 2.269 614 Y HA 0.357 4.907 4.550 -0.000 0.000 0.294 614 Y C 1.259 177.060 175.900 -0.165 0.000 1.120 614 Y CA -0.903 56.757 58.100 -0.733 0.000 1.159 614 Y CB -0.334 37.787 38.460 -0.564 0.000 1.024 614 Y HN 0.092 nan 8.280 nan 0.000 0.532 615 F N 0.932 120.480 119.950 -0.670 0.000 2.444 615 F HA 0.008 4.535 4.527 -0.000 0.000 0.297 615 F C 1.557 177.097 175.800 -0.433 0.000 1.295 615 F CA -0.110 57.524 58.000 -0.609 0.000 1.286 615 F CB 0.012 38.798 39.000 -0.357 0.000 1.298 615 F HN 0.050 nan 8.300 nan 0.000 0.531 616 D N -0.199 120.137 120.400 -0.106 0.000 2.142 616 D HA 0.077 4.717 4.640 -0.000 0.000 0.293 616 D C 0.425 176.694 176.300 -0.052 0.000 1.133 616 D CA -0.006 53.931 54.000 -0.105 0.000 1.023 616 D CB 0.211 40.948 40.800 -0.105 0.000 1.111 616 D HN 0.220 nan 8.370 nan 0.000 0.424 617 R N 0.091 120.568 120.500 -0.038 0.000 4.980 617 R HA 0.408 4.748 4.340 -0.000 0.000 0.190 617 R C -0.495 175.790 176.300 -0.025 0.000 2.095 617 R CA -0.360 55.725 56.100 -0.025 0.000 1.717 617 R CB -0.439 29.849 30.300 -0.019 0.000 1.337 617 R HN 0.145 nan 8.270 nan 0.000 0.820 618 A N 0.431 123.233 122.820 -0.029 0.000 2.281 618 A HA 0.654 4.974 4.320 -0.000 0.000 0.329 618 A C 0.376 177.904 177.584 -0.094 0.000 1.122 618 A CA -0.427 51.583 52.037 -0.046 0.000 0.850 618 A CB 1.148 20.143 19.000 -0.008 0.000 1.207 618 A HN 0.354 nan 8.150 nan 0.000 0.495 619 T N -2.518 111.964 114.554 -0.121 0.000 2.754 619 T HA 0.779 5.129 4.350 -0.000 0.000 0.296 619 T C -0.438 174.156 174.700 -0.176 0.000 1.205 619 T CA -0.210 61.801 62.100 -0.148 0.000 1.009 619 T CB 1.563 70.360 68.868 -0.119 0.000 1.368 619 T HN 1.188 nan 8.240 nan 0.000 0.509 620 T N 0.064 114.502 114.554 -0.194 0.000 2.843 620 T HA 0.499 4.849 4.350 -0.000 0.000 0.302 620 T C -1.419 173.160 174.700 -0.202 0.000 1.232 620 T CA -0.750 61.235 62.100 -0.193 0.000 1.009 620 T CB 1.363 70.108 68.868 -0.206 0.000 1.254 620 T HN 0.669 nan 8.240 nan 0.000 0.504 621 N N 0.949 119.541 118.700 -0.180 0.000 2.525 621 N HA 0.410 5.150 4.740 -0.000 0.000 0.271 621 N C -0.738 174.636 175.510 -0.226 0.000 1.194 621 N CA -0.132 52.822 53.050 -0.160 0.000 0.964 621 N CB 1.058 39.486 38.487 -0.100 0.000 1.126 621 N HN 0.619 nan 8.380 nan 0.000 0.452 622 C N 3.354 122.565 119.300 -0.149 0.000 2.535 622 C HA 0.458 4.918 4.460 -0.000 0.000 0.319 622 C C -1.078 173.972 174.990 0.100 0.000 1.171 622 C CA -0.753 58.174 59.018 -0.152 0.000 1.394 622 C CB -0.449 27.173 27.740 -0.197 0.000 1.990 622 C HN 0.541 nan 8.230 nan 0.000 0.466 623 Y N 4.050 124.249 120.300 -0.169 0.000 2.299 623 Y HA 0.427 4.977 4.550 -0.000 0.000 0.326 623 Y C 0.490 176.454 175.900 0.106 0.000 1.164 623 Y CA -0.252 57.767 58.100 -0.136 0.000 1.234 623 Y CB 0.875 38.905 38.460 -0.717 0.000 1.219 623 Y HN 0.699 nan 8.280 nan 0.000 0.497 624 N N -0.725 118.256 118.700 0.469 0.000 2.295 624 N HA 0.212 4.952 4.740 -0.000 0.000 0.293 624 N C 0.402 176.236 175.510 0.539 0.000 1.040 624 N CA -0.445 52.877 53.050 0.453 0.000 0.840 624 N CB 1.765 40.467 38.487 0.358 0.000 1.468 624 N HN 0.435 nan 8.380 nan 0.000 0.478 625 S N 1.475 117.455 115.700 0.467 0.000 2.406 625 S HA -0.004 4.466 4.470 -0.000 0.000 0.228 625 S C 0.323 175.150 174.600 0.378 0.000 1.020 625 S CA 0.788 59.218 58.200 0.384 0.000 0.965 625 S CB 0.013 63.558 63.200 0.575 0.000 0.798 625 S HN 0.658 nan 8.310 nan 0.000 0.488 626 Q N -0.484 119.486 119.800 0.283 0.000 2.511 626 Q HA 0.577 4.917 4.340 -0.000 0.000 0.289 626 Q C -1.382 174.530 176.000 -0.146 0.000 1.021 626 Q CA -0.814 55.034 55.803 0.074 0.000 0.785 626 Q CB 1.869 30.520 28.738 -0.143 0.000 1.472 626 Q HN 0.249 nan 8.270 nan 0.000 0.411 627 I N 2.136 122.417 120.570 -0.481 0.000 2.371 627 I HA -0.015 4.155 4.170 -0.000 0.000 0.290 627 I C 1.250 177.179 176.117 -0.314 0.000 1.028 627 I CA -0.295 60.691 61.300 -0.525 0.000 1.345 627 I CB 0.773 38.252 38.000 -0.868 0.000 1.407 627 I HN 0.660 nan 8.210 nan 0.000 0.501 628 L N 6.527 127.648 121.223 -0.170 0.000 2.040 628 L HA -0.310 4.030 4.340 -0.000 0.000 0.228 628 L C 2.310 179.028 176.870 -0.253 0.000 1.092 628 L CA 2.398 57.146 54.840 -0.153 0.000 0.805 628 L CB -0.507 41.536 42.059 -0.028 0.000 0.905 628 L HN 0.749 nan 8.230 nan 0.000 0.443 629 M N -1.273 118.186 119.600 -0.235 0.000 2.144 629 M HA -0.207 4.273 4.480 -0.000 0.000 0.260 629 M C 2.102 178.206 176.300 -0.327 0.000 1.067 629 M CA 2.497 57.645 55.300 -0.255 0.000 1.095 629 M CB -0.802 31.682 32.600 -0.192 0.000 1.365 629 M HN 0.409 nan 8.290 nan 0.000 0.406 630 T N -0.358 113.972 114.554 -0.373 0.000 2.708 630 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 630 T C 1.887 176.340 174.700 -0.412 0.000 1.037 630 T CA 1.886 63.740 62.100 -0.409 0.000 1.146 630 T CB -0.483 68.141 68.868 -0.405 0.000 0.865 630 T HN 0.445 nan 8.240 nan 0.000 0.435 631 S N 1.435 116.915 115.700 -0.367 0.000 2.370 631 S HA -0.180 4.290 4.470 -0.000 0.000 0.226 631 S C 2.213 176.466 174.600 -0.578 0.000 1.033 631 S CA 1.189 59.166 58.200 -0.373 0.000 1.011 631 S CB -0.372 62.701 63.200 -0.213 0.000 0.852 631 S HN 0.550 nan 8.310 nan 0.000 0.457 632 Q N 0.587 120.073 119.800 -0.523 0.000 1.967 632 Q HA -0.069 4.271 4.340 -0.000 0.000 0.202 632 Q C 2.582 178.338 176.000 -0.406 0.000 0.985 632 Q CA 1.012 56.493 55.803 -0.537 0.000 0.839 632 Q CB -0.174 28.277 28.738 -0.479 0.000 0.906 632 Q HN 0.339 nan 8.270 nan 0.000 0.423 633 R N 0.691 120.990 120.500 -0.335 0.000 2.115 633 R HA -0.174 4.166 4.340 -0.000 0.000 0.239 633 R C 2.358 178.483 176.300 -0.292 0.000 1.133 633 R CA 1.366 57.315 56.100 -0.251 0.000 0.935 633 R CB -1.226 28.877 30.300 -0.329 0.000 0.853 633 R HN 0.312 nan 8.270 nan 0.000 0.433 634 L N 0.522 121.451 121.223 -0.490 0.000 2.127 634 L HA -0.170 4.169 4.340 -0.000 0.000 0.211 634 L C 2.607 179.279 176.870 -0.330 0.000 1.089 634 L CA 1.361 55.911 54.840 -0.484 0.000 0.757 634 L CB -0.478 41.261 42.059 -0.533 0.000 0.899 634 L HN 0.247 nan 8.230 nan 0.000 0.434 635 A N -0.567 121.961 122.820 -0.486 0.000 1.970 635 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 635 A C 2.064 179.479 177.584 -0.283 0.000 1.170 635 A CA 1.069 52.765 52.037 -0.568 0.000 0.645 635 A CB -0.102 18.113 19.000 -1.309 0.000 0.816 635 A HN 0.479 nan 8.150 nan 0.000 0.447 636 E N -0.411 119.662 120.200 -0.212 0.000 2.340 636 E HA 0.169 4.519 4.350 -0.000 0.000 0.198 636 E C 1.324 177.894 176.600 -0.051 0.000 0.961 636 E CA 0.149 56.488 56.400 -0.101 0.000 0.905 636 E CB 0.030 29.685 29.700 -0.074 0.000 0.884 636 E HN 0.475 nan 8.360 nan 0.000 0.491 637 G N 1.430 110.227 108.800 -0.005 0.000 2.508 637 G HA2 0.079 4.039 3.960 -0.000 0.000 0.278 637 G HA3 0.079 4.039 3.960 -0.000 0.000 0.278 637 G C -0.348 174.530 174.900 -0.038 0.000 1.389 637 G CA -0.495 44.607 45.100 0.002 0.000 1.050 637 G HN 0.143 nan 8.290 nan 0.000 0.522 638 N N -0.771 117.803 118.700 -0.210 0.000 2.762 638 N HA 0.294 5.034 4.740 -0.000 0.000 0.252 638 N C -1.503 173.841 175.510 -0.275 0.000 1.269 638 N CA -0.417 52.537 53.050 -0.160 0.000 0.799 638 N CB 0.542 38.942 38.487 -0.145 0.000 1.173 638 N HN 0.323 nan 8.380 nan 0.000 0.516 639 Y N 0.882 121.119 120.300 -0.104 0.000 2.488 639 Y HA 0.439 4.989 4.550 -0.000 0.000 0.325 639 Y C 0.622 176.584 175.900 0.103 0.000 1.204 639 Y CA -0.708 57.349 58.100 -0.071 0.000 1.229 639 Y CB 1.056 39.333 38.460 -0.305 0.000 1.274 639 Y HN 0.454 nan 8.280 nan 0.000 0.493 640 N N 0.801 119.740 118.700 0.399 0.000 2.416 640 N HA 0.568 5.308 4.740 -0.000 0.000 0.276 640 N C -2.434 173.318 175.510 0.404 0.000 1.261 640 N CA -0.583 52.700 53.050 0.389 0.000 0.790 640 N CB 2.197 40.835 38.487 0.252 0.000 1.554 640 N HN 0.625 nan 8.380 nan 0.000 0.481 641 L N 1.464 122.832 121.223 0.242 0.000 2.580 641 L HA 0.486 4.826 4.340 -0.000 0.000 0.266 641 L C -2.406 174.511 176.870 0.077 0.000 0.955 641 L CA -1.046 53.837 54.840 0.071 0.000 0.886 641 L CB 1.659 43.505 42.059 -0.355 0.000 1.263 641 L HN 0.549 nan 8.230 nan 0.000 0.406 642 P HA 0.045 nan 4.420 nan 0.000 0.269 642 P C -2.179 175.128 177.300 0.011 0.000 1.200 642 P CA -0.622 62.500 63.100 0.037 0.000 0.779 642 P CB -0.189 31.526 31.700 0.025 0.000 0.841 643 P HA -0.230 nan 4.420 nan 0.000 0.209 643 P C 0.160 177.436 177.300 -0.041 0.000 1.080 643 P CA 1.776 64.859 63.100 -0.028 0.000 0.971 643 P CB -0.167 31.518 31.700 -0.025 0.000 0.768 644 D N 0.160 120.538 120.400 -0.037 0.000 2.970 644 D HA 0.300 4.940 4.640 -0.000 0.000 0.282 644 D C 0.112 176.382 176.300 -0.051 0.000 1.291 644 D CA 0.131 54.103 54.000 -0.047 0.000 0.967 644 D CB 0.294 41.069 40.800 -0.041 0.000 1.017 644 D HN 0.181 nan 8.370 nan 0.000 0.512 645 S N -0.018 115.648 115.700 -0.056 0.000 2.776 645 S HA 0.823 5.293 4.470 -0.000 0.000 0.292 645 S C -0.840 173.717 174.600 -0.072 0.000 1.187 645 S CA -0.919 57.249 58.200 -0.053 0.000 0.834 645 S CB 1.898 65.083 63.200 -0.026 0.000 1.199 645 S HN 0.227 nan 8.310 nan 0.000 0.514 646 L N -2.248 118.950 121.223 -0.042 0.000 2.653 646 L HA 0.944 5.284 4.340 -0.000 0.000 0.257 646 L C -0.689 176.230 176.870 0.081 0.000 0.969 646 L CA -1.282 53.545 54.840 -0.022 0.000 0.869 646 L CB 0.882 42.916 42.059 -0.040 0.000 1.439 646 L HN 0.812 nan 8.230 nan 0.000 0.414 647 A N 1.513 124.451 122.820 0.196 0.000 2.410 647 A HA 0.636 4.956 4.320 -0.000 0.000 0.292 647 A C -0.038 177.780 177.584 0.391 0.000 1.232 647 A CA -0.287 51.986 52.037 0.392 0.000 0.893 647 A CB -0.408 18.964 19.000 0.619 0.000 1.131 647 A HN 0.632 nan 8.150 nan 0.000 0.530 648 V N 3.679 123.668 119.914 0.125 0.000 2.509 648 V HA 0.404 4.524 4.120 -0.000 0.000 0.284 648 V C -0.544 175.480 176.094 -0.116 0.000 1.047 648 V CA -0.104 62.233 62.300 0.062 0.000 0.952 648 V CB 0.492 32.266 31.823 -0.082 0.000 0.988 648 V HN 0.733 nan 8.190 nan 0.000 0.469 649 Y N 2.547 122.855 120.300 0.014 0.000 2.545 649 Y HA 0.684 5.234 4.550 -0.000 0.000 0.348 649 Y C 0.058 175.937 175.900 -0.034 0.000 1.002 649 Y CA -1.217 56.892 58.100 0.016 0.000 1.039 649 Y CB 1.856 40.381 38.460 0.109 0.000 1.271 649 Y HN 0.497 nan 8.280 nan 0.000 0.467 650 R N 2.091 122.638 120.500 0.078 0.000 2.239 650 R HA 0.551 4.891 4.340 -0.000 0.000 0.332 650 R C -1.825 174.459 176.300 -0.028 0.000 0.988 650 R CA -0.299 55.784 56.100 -0.029 0.000 0.859 650 R CB -0.210 30.000 30.300 -0.150 0.000 1.148 650 R HN 0.554 nan 8.270 nan 0.000 0.482 651 I N 3.250 123.715 120.570 -0.175 0.000 2.342 651 I HA 0.318 4.488 4.170 -0.000 0.000 0.291 651 I C -0.175 175.845 176.117 -0.161 0.000 1.010 651 I CA 0.327 61.494 61.300 -0.222 0.000 1.308 651 I CB 1.929 39.593 38.000 -0.559 0.000 1.400 651 I HN 0.602 nan 8.210 nan 0.000 0.488 652 T N 4.121 118.660 114.554 -0.025 0.000 2.881 652 T HA 0.485 4.835 4.350 -0.000 0.000 0.290 652 T C -0.628 174.087 174.700 0.024 0.000 1.000 652 T CA -0.959 61.182 62.100 0.069 0.000 0.978 652 T CB 1.535 70.450 68.868 0.077 0.000 0.997 652 T HN 0.553 nan 8.240 nan 0.000 0.443 653 D N 0.854 121.294 120.400 0.066 0.000 2.451 653 D HA 0.272 4.912 4.640 -0.000 0.000 0.259 653 D C 0.849 177.162 176.300 0.022 0.000 1.201 653 D CA -0.907 53.101 54.000 0.014 0.000 1.028 653 D CB 0.319 41.159 40.800 0.067 0.000 1.095 653 D HN 0.264 nan 8.370 nan 0.000 0.539 654 S N -0.965 114.740 115.700 0.007 0.000 2.555 654 S HA -0.061 4.408 4.470 -0.000 0.000 0.230 654 S C 1.390 176.013 174.600 0.039 0.000 0.978 654 S CA 0.562 58.772 58.200 0.016 0.000 0.934 654 S CB -0.330 62.875 63.200 0.008 0.000 0.766 654 S HN 0.544 nan 8.310 nan 0.000 0.533 655 S N 0.793 116.526 115.700 0.056 0.000 2.327 655 S HA 0.243 4.713 4.470 -0.000 0.000 0.157 655 S C 1.085 175.732 174.600 0.078 0.000 1.227 655 S CA 0.429 58.666 58.200 0.063 0.000 1.907 655 S CB 0.062 63.303 63.200 0.068 0.000 0.563 655 S HN 0.231 nan 8.310 nan 0.000 0.377 656 S N 0.152 115.911 115.700 0.098 0.000 3.004 656 S HA 0.339 4.809 4.470 -0.000 0.000 0.244 656 S C -0.961 173.743 174.600 0.172 0.000 0.870 656 S CA -0.480 57.800 58.200 0.133 0.000 1.267 656 S CB 0.089 63.354 63.200 0.108 0.000 1.208 656 S HN 0.588 nan 8.310 nan 0.000 0.624 657 Q N 1.546 121.433 119.800 0.146 0.000 2.214 657 Q HA 0.554 4.894 4.340 -0.000 0.000 0.251 657 Q C -0.807 175.343 176.000 0.251 0.000 0.936 657 Q CA -0.534 55.333 55.803 0.106 0.000 0.894 657 Q CB 1.377 30.159 28.738 0.072 0.000 1.252 657 Q HN 0.588 nan 8.270 nan 0.000 0.448 658 W N 1.105 122.486 121.300 0.136 0.000 3.146 658 W HA 0.628 5.288 4.660 -0.000 0.000 0.319 658 W C -2.218 174.420 176.519 0.199 0.000 1.258 658 W CA -1.136 56.265 57.345 0.094 0.000 1.189 658 W CB 0.526 29.997 29.460 0.018 0.000 1.412 658 W HN 0.655 nan 8.180 nan 0.000 0.567 659 F N -0.113 120.086 119.950 0.415 0.000 2.665 659 F HA 0.526 5.053 4.527 -0.000 0.000 0.308 659 F C -1.272 174.726 175.800 0.331 0.000 1.112 659 F CA -1.143 57.015 58.000 0.263 0.000 0.972 659 F CB 1.259 40.254 39.000 -0.008 0.000 1.295 659 F HN 0.019 nan 8.300 nan 0.000 0.440 660 D N 2.838 123.478 120.400 0.400 0.000 2.225 660 D HA 0.507 5.147 4.640 -0.000 0.000 0.248 660 D C -0.376 176.085 176.300 0.269 0.000 1.096 660 D CA 0.153 54.298 54.000 0.242 0.000 0.863 660 D CB 1.956 42.893 40.800 0.228 0.000 1.156 660 D HN 0.564 nan 8.370 nan 0.000 0.450 661 I N 1.109 121.809 120.570 0.217 0.000 2.404 661 I HA 0.414 4.584 4.170 -0.000 0.000 0.293 661 I C 0.628 176.914 176.117 0.281 0.000 0.992 661 I CA -0.736 60.723 61.300 0.266 0.000 1.149 661 I CB 2.110 40.256 38.000 0.243 0.000 1.315 661 I HN 0.296 nan 8.210 nan 0.000 0.446 662 G N 7.551 116.514 108.800 0.272 0.000 2.788 662 G HA2 0.545 4.505 3.960 -0.000 0.000 0.327 662 G HA3 0.545 4.505 3.960 -0.000 0.000 0.327 662 G C -0.344 174.706 174.900 0.250 0.000 1.249 662 G CA -0.396 44.851 45.100 0.245 0.000 1.063 662 G HN 0.491 nan 8.290 nan 0.000 0.497 663 I N 2.936 123.674 120.570 0.279 0.000 2.618 663 I HA 0.034 4.204 4.170 -0.000 0.000 0.284 663 I C 0.629 176.849 176.117 0.171 0.000 1.146 663 I CA -0.543 60.909 61.300 0.253 0.000 1.425 663 I CB 0.471 38.624 38.000 0.255 0.000 1.383 663 I HN 0.567 nan 8.210 nan 0.000 0.562 664 N N 5.568 124.355 118.700 0.146 0.000 2.491 664 N HA 0.047 4.787 4.740 -0.000 0.000 0.279 664 N C 0.961 176.397 175.510 -0.123 0.000 1.236 664 N CA -0.299 52.749 53.050 -0.003 0.000 0.982 664 N CB 0.354 38.860 38.487 0.033 0.000 1.194 664 N HN 0.567 nan 8.380 nan 0.000 0.582 665 H N -0.236 118.650 119.070 -0.307 0.000 2.352 665 H HA -0.092 4.463 4.556 -0.000 0.000 0.299 665 H C 0.329 175.668 175.328 0.018 0.000 1.097 665 H CA 1.742 57.543 56.048 -0.413 0.000 1.311 665 H CB -0.035 29.581 29.762 -0.244 0.000 1.377 665 H HN 0.582 nan 8.280 nan 0.000 0.504 666 D N -0.671 119.900 120.400 0.284 0.000 2.221 666 D HA -0.092 4.548 4.640 -0.000 0.000 0.204 666 D C 1.445 177.818 176.300 0.121 0.000 0.982 666 D CA 1.672 55.836 54.000 0.274 0.000 0.857 666 D CB 0.083 41.087 40.800 0.341 0.000 0.934 666 D HN 0.706 nan 8.370 nan 0.000 0.475 667 G N -0.503 108.337 108.800 0.068 0.000 2.205 667 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.180 667 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.180 667 G C 0.161 174.946 174.900 -0.193 0.000 1.004 667 G CA -0.454 44.556 45.100 -0.150 0.000 0.670 667 G HN 0.220 nan 8.290 nan 0.000 0.496 668 F N 1.942 122.074 119.950 0.305 0.000 2.378 668 F HA 0.668 5.194 4.527 -0.000 0.000 0.325 668 F C 0.946 176.892 175.800 0.242 0.000 1.097 668 F CA -0.453 57.690 58.000 0.239 0.000 1.079 668 F CB 1.665 40.769 39.000 0.174 0.000 1.240 668 F HN 0.010 nan 8.300 nan 0.000 0.519 669 S N 0.552 116.468 115.700 0.360 0.000 2.509 669 S HA 0.564 5.034 4.470 -0.000 0.000 0.297 669 S C -1.350 173.403 174.600 0.256 0.000 1.118 669 S CA -0.596 57.782 58.200 0.296 0.000 1.074 669 S CB 0.975 64.297 63.200 0.202 0.000 1.038 669 S HN 0.340 nan 8.310 nan 0.000 0.498 670 Y N 0.400 120.760 120.300 0.099 0.000 2.621 670 Y HA 0.779 5.329 4.550 -0.000 0.000 0.334 670 Y C 0.034 176.000 175.900 0.109 0.000 1.074 670 Y CA -0.983 57.166 58.100 0.082 0.000 1.149 670 Y CB 1.410 39.918 38.460 0.081 0.000 1.302 670 Y HN 0.405 nan 8.280 nan 0.000 0.501 671 V N -0.473 119.608 119.914 0.277 0.000 3.087 671 V HA 0.492 4.612 4.120 -0.000 0.000 0.306 671 V C -0.079 176.160 176.094 0.242 0.000 1.187 671 V CA -0.909 61.523 62.300 0.221 0.000 0.999 671 V CB 2.333 34.206 31.823 0.082 0.000 1.049 671 V HN 0.876 nan 8.190 nan 0.000 0.431 672 G N 2.784 111.704 108.800 0.201 0.000 3.882 672 G HA2 0.565 4.525 3.960 -0.000 0.000 0.283 672 G HA3 0.565 4.525 3.960 -0.000 0.000 0.283 672 G C -0.606 174.380 174.900 0.144 0.000 1.283 672 G CA 0.197 45.411 45.100 0.190 0.000 1.402 672 G HN 0.392 nan 8.290 nan 0.000 0.618 673 L N -0.794 120.505 121.223 0.126 0.000 2.472 673 L HA 0.280 4.619 4.340 -0.000 0.000 0.260 673 L C 1.080 177.750 176.870 -0.333 0.000 0.963 673 L CA -0.704 54.102 54.840 -0.057 0.000 0.829 673 L CB 2.120 44.090 42.059 -0.148 0.000 1.348 673 L HN 0.083 nan 8.230 nan 0.000 0.408 674 S N -0.471 114.929 115.700 -0.500 0.000 2.371 674 S HA 0.024 4.494 4.470 -0.000 0.000 0.224 674 S C 0.209 174.465 174.600 -0.574 0.000 1.029 674 S CA 0.791 58.437 58.200 -0.923 0.000 0.978 674 S CB -0.033 62.886 63.200 -0.470 0.000 0.833 674 S HN 0.624 nan 8.310 nan 0.000 0.466 675 D N -0.422 119.773 120.400 -0.341 0.000 2.531 675 D HA 0.590 5.230 4.640 -0.000 0.000 0.244 675 D C -1.660 174.504 176.300 -0.228 0.000 1.090 675 D CA -0.460 53.396 54.000 -0.240 0.000 0.989 675 D CB 2.410 43.110 40.800 -0.168 0.000 1.433 675 D HN -0.038 nan 8.370 nan 0.000 0.492 676 L N 2.310 123.416 121.223 -0.196 0.000 2.436 676 L HA 0.416 4.756 4.340 -0.000 0.000 0.268 676 L C -2.192 174.603 176.870 -0.125 0.000 0.974 676 L CA -1.561 53.137 54.840 -0.237 0.000 0.826 676 L CB 1.722 43.576 42.059 -0.341 0.000 1.291 676 L HN 0.204 nan 8.230 nan 0.000 0.406 677 P HA 0.183 nan 4.420 nan 0.000 0.270 677 P C -0.879 176.449 177.300 0.047 0.000 1.227 677 P CA 0.112 63.196 63.100 -0.027 0.000 0.788 677 P CB 0.749 32.434 31.700 -0.025 0.000 0.926 678 N N -1.170 117.565 118.700 0.059 0.000 2.145 678 N HA -0.013 4.727 4.740 -0.000 0.000 0.219 678 N C -0.189 175.375 175.510 0.090 0.000 1.266 678 N CA -0.167 52.936 53.050 0.089 0.000 0.902 678 N CB -0.221 38.292 38.487 0.043 0.000 1.078 678 N HN 0.341 nan 8.380 nan 0.000 0.513 679 D N 2.103 122.548 120.400 0.074 0.000 3.110 679 D HA 0.099 4.739 4.640 -0.000 0.000 0.254 679 D C -0.084 176.274 176.300 0.095 0.000 1.283 679 D CA -0.376 53.665 54.000 0.068 0.000 0.944 679 D CB -0.185 40.639 40.800 0.039 0.000 1.066 679 D HN 0.440 nan 8.370 nan 0.000 0.496 680 L N -1.994 119.322 121.223 0.155 0.000 2.409 680 L HA 0.541 4.881 4.340 -0.000 0.000 0.272 680 L C -0.107 176.895 176.870 0.220 0.000 0.980 680 L CA -1.154 53.792 54.840 0.177 0.000 0.826 680 L CB 1.937 44.123 42.059 0.212 0.000 1.268 680 L HN -0.092 nan 8.230 nan 0.000 0.407 681 S N 1.164 116.953 115.700 0.149 0.000 2.673 681 S HA -0.011 4.459 4.470 -0.000 0.000 0.308 681 S C 0.309 175.005 174.600 0.159 0.000 1.246 681 S CA -0.128 58.152 58.200 0.133 0.000 1.077 681 S CB -0.038 63.207 63.200 0.075 0.000 0.814 681 S HN 0.635 nan 8.310 nan 0.000 0.503 682 F N 3.136 123.099 119.950 0.023 0.000 2.797 682 F HA 0.279 4.806 4.527 -0.000 0.000 0.302 682 F C -1.841 173.925 175.800 -0.056 0.000 1.130 682 F CA -1.663 56.339 58.000 0.004 0.000 1.387 682 F CB -0.515 38.478 39.000 -0.013 0.000 1.107 682 F HN 0.447 nan 8.300 nan 0.000 0.577 683 P HA 0.045 nan 4.420 nan 0.000 0.230 683 P C -0.305 176.847 177.300 -0.246 0.000 1.791 683 P CA 0.272 63.289 63.100 -0.138 0.000 1.020 683 P CB -0.281 31.380 31.700 -0.064 0.000 1.977 684 L N 0.743 121.685 121.223 -0.468 0.000 2.473 684 L HA 0.277 4.617 4.340 -0.000 0.000 0.265 684 L C 0.986 177.670 176.870 -0.311 0.000 1.243 684 L CA 0.538 55.120 54.840 -0.429 0.000 0.822 684 L CB -0.060 41.611 42.059 -0.647 0.000 1.101 684 L HN 0.210 nan 8.230 nan 0.000 0.507 685 T N -2.004 112.457 114.554 -0.155 0.000 3.041 685 T HA 0.506 4.856 4.350 -0.000 0.000 0.321 685 T C -0.684 174.056 174.700 0.066 0.000 1.184 685 T CA -0.811 61.268 62.100 -0.036 0.000 1.050 685 T CB 1.746 70.603 68.868 -0.019 0.000 1.159 685 T HN 0.687 nan 8.240 nan 0.000 0.469 686 S N 1.433 117.240 115.700 0.178 0.000 2.526 686 S HA 0.883 5.353 4.470 -0.000 0.000 0.293 686 S C -0.343 174.392 174.600 0.225 0.000 1.092 686 S CA -0.307 58.029 58.200 0.228 0.000 0.980 686 S CB 1.945 65.370 63.200 0.375 0.000 1.048 686 S HN 1.540 nan 8.310 nan 0.000 0.483 687 T N 0.796 115.461 114.554 0.185 0.000 2.906 687 T HA 0.646 4.996 4.350 -0.000 0.000 0.295 687 T C -0.872 173.915 174.700 0.144 0.000 1.061 687 T CA -0.726 61.468 62.100 0.157 0.000 1.000 687 T CB 1.080 69.965 68.868 0.029 0.000 1.103 687 T HN 0.646 nan 8.240 nan 0.000 0.486 688 F N 3.949 123.852 119.950 -0.078 0.000 2.467 688 F HA 0.408 4.935 4.527 -0.000 0.000 0.362 688 F C 1.101 176.737 175.800 -0.272 0.000 1.090 688 F CA -1.151 56.612 58.000 -0.395 0.000 1.202 688 F CB 0.853 39.632 39.000 -0.368 0.000 1.113 688 F HN 0.532 nan 8.300 nan 0.000 0.541 689 M N 3.818 122.765 119.600 -1.088 0.000 2.429 689 M HA 0.344 4.824 4.480 -0.000 0.000 0.265 689 M C 0.947 176.626 176.300 -1.036 0.000 1.120 689 M CA 1.100 55.922 55.300 -0.796 0.000 1.173 689 M CB -1.017 31.273 32.600 -0.516 0.000 1.343 689 M HN 0.763 nan 8.290 nan 0.000 0.464 690 G N -0.681 107.109 108.800 -1.684 0.000 2.362 690 G HA2 0.200 4.160 3.960 -0.000 0.000 0.288 690 G HA3 0.200 4.160 3.960 -0.000 0.000 0.288 690 G C -1.709 172.939 174.900 -0.420 0.000 1.305 690 G CA -0.928 43.590 45.100 -0.970 0.000 0.910 690 G HN -0.016 nan 8.290 nan 0.000 0.518 691 V N 1.136 121.015 119.914 -0.058 0.000 2.370 691 V HA 0.625 4.745 4.120 -0.000 0.000 0.279 691 V C 0.223 176.297 176.094 -0.033 0.000 1.029 691 V CA -0.216 62.103 62.300 0.033 0.000 0.870 691 V CB 0.927 32.818 31.823 0.114 0.000 0.984 691 V HN 0.728 nan 8.190 nan 0.000 0.451 692 Q N 2.909 122.686 119.800 -0.039 0.000 2.399 692 Q HA 0.586 4.926 4.340 -0.000 0.000 0.276 692 Q C -1.218 174.760 176.000 -0.036 0.000 1.098 692 Q CA -1.184 54.590 55.803 -0.049 0.000 0.827 692 Q CB 2.421 31.121 28.738 -0.064 0.000 1.386 692 Q HN 0.447 nan 8.270 nan 0.000 0.443 693 L N 1.320 122.519 121.223 -0.039 0.000 2.490 693 L HA 0.044 4.384 4.340 -0.000 0.000 0.274 693 L C 0.940 177.780 176.870 -0.049 0.000 1.201 693 L CA 0.908 55.723 54.840 -0.041 0.000 0.869 693 L CB 0.556 42.592 42.059 -0.038 0.000 1.123 693 L HN 0.960 nan 8.230 nan 0.000 0.484 694 A N 4.816 127.597 122.820 -0.065 0.000 2.168 694 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 694 A C 1.650 179.185 177.584 -0.081 0.000 1.152 694 A CA 0.865 52.844 52.037 -0.096 0.000 0.716 694 A CB -0.564 18.355 19.000 -0.135 0.000 0.794 694 A HN 0.803 nan 8.150 nan 0.000 0.465 695 R N -0.595 119.872 120.500 -0.056 0.000 2.356 695 R HA 0.267 4.607 4.340 -0.000 0.000 0.234 695 R C -0.933 175.349 176.300 -0.030 0.000 0.929 695 R CA 0.127 56.202 56.100 -0.043 0.000 1.084 695 R CB -0.292 29.986 30.300 -0.037 0.000 1.105 695 R HN 0.136 nan 8.270 nan 0.000 0.515 696 V N 1.901 121.799 119.914 -0.027 0.000 2.378 696 V HA 0.184 4.304 4.120 -0.000 0.000 0.288 696 V C -0.110 175.987 176.094 0.005 0.000 1.016 696 V CA -1.082 61.210 62.300 -0.013 0.000 0.840 696 V CB 1.710 33.522 31.823 -0.018 0.000 0.994 696 V HN 0.212 nan 8.190 nan 0.000 0.431 697 K N 4.765 125.177 120.400 0.020 0.000 2.491 697 K HA 0.160 4.480 4.320 -0.000 0.000 0.279 697 K C -0.263 176.379 176.600 0.069 0.000 1.026 697 K CA -0.166 56.151 56.287 0.049 0.000 1.070 697 K CB 0.205 32.737 32.500 0.053 0.000 0.887 697 K HN 0.574 nan 8.250 nan 0.000 0.481 698 L N 4.121 125.403 121.223 0.098 0.000 2.490 698 L HA 0.046 4.386 4.340 -0.000 0.000 0.274 698 L C 0.823 177.787 176.870 0.157 0.000 1.201 698 L CA -0.351 54.565 54.840 0.127 0.000 0.869 698 L CB 0.620 42.778 42.059 0.165 0.000 1.123 698 L HN 0.765 nan 8.230 nan 0.000 0.484 699 A N 3.380 126.317 122.820 0.195 0.000 2.386 699 A HA 0.586 4.906 4.320 -0.000 0.000 0.246 699 A C 0.325 178.089 177.584 0.299 0.000 1.089 699 A CA 0.356 52.552 52.037 0.264 0.000 0.790 699 A CB 0.519 19.754 19.000 0.391 0.000 1.042 699 A HN 0.853 nan 8.150 nan 0.000 0.497 700 S N -0.541 115.172 115.700 0.021 0.000 2.655 700 S HA 0.728 5.198 4.470 -0.000 0.000 0.266 700 S C -1.194 172.850 174.600 -0.926 0.000 1.149 700 S CA -0.689 57.295 58.200 -0.359 0.000 0.818 700 S CB 1.495 64.645 63.200 -0.083 0.000 1.130 700 S HN 1.052 nan 8.310 nan 0.000 0.476 701 K N 1.155 121.028 120.400 -0.878 0.000 2.659 701 K HA 0.421 4.741 4.320 -0.000 0.000 0.308 701 K C -1.168 175.168 176.600 -0.440 0.000 1.342 701 K CA -0.061 55.773 56.287 -0.756 0.000 1.052 701 K CB 0.553 32.306 32.500 -1.245 0.000 1.416 701 K HN 1.121 nan 8.250 nan 0.000 0.524 702 V N -0.925 118.838 119.914 -0.251 0.000 3.087 702 V HA 0.793 4.912 4.120 -0.000 0.000 0.311 702 V C -0.043 175.985 176.094 -0.110 0.000 1.333 702 V CA -0.835 61.377 62.300 -0.148 0.000 1.054 702 V CB 1.339 33.078 31.823 -0.140 0.000 1.123 702 V HN 0.732 nan 8.190 nan 0.000 0.473 703 K N 0.000 120.353 120.400 -0.078 0.000 2.780 703 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 703 K CA 0.000 56.252 56.287 -0.058 0.000 0.838 703 K CB 0.000 32.461 32.500 -0.065 0.000 1.064 703 K HN 0.000 nan 8.250 nan 0.000 0.543