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 2r9x_1_A DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.575 177.584 -0.015 0.000 1.274 4 A CA 0.000 52.091 52.037 0.090 0.000 0.836 4 A CB 0.000 19.061 19.000 0.102 0.000 0.831 5 P HA 0.199 nan 4.420 nan 0.000 0.265 5 P C 0.635 177.864 177.300 -0.119 0.000 1.193 5 P CA 0.138 63.147 63.100 -0.152 0.000 0.765 5 P CB 0.641 32.165 31.700 -0.294 0.000 0.823 6 Q N 2.322 122.081 119.800 -0.068 0.000 2.181 6 Q HA -0.277 4.049 4.340 -0.023 0.000 0.205 6 Q C 1.939 177.903 176.000 -0.061 0.000 0.980 6 Q CA 1.477 57.258 55.803 -0.037 0.000 0.862 6 Q CB -0.059 28.665 28.738 -0.023 0.000 0.905 6 Q HN 0.507 nan 8.270 nan 0.000 0.429 7 Q N 0.097 119.829 119.800 -0.114 0.000 2.061 7 Q HA -0.202 4.124 4.340 -0.023 0.000 0.204 7 Q C 1.971 177.874 176.000 -0.162 0.000 0.984 7 Q CA 1.745 57.466 55.803 -0.136 0.000 0.846 7 Q CB -0.107 28.523 28.738 -0.180 0.000 0.902 7 Q HN 0.530 nan 8.270 nan 0.000 0.421 8 I N 0.577 121.009 120.570 -0.230 0.000 2.202 8 I HA -0.292 3.864 4.170 -0.023 0.000 0.242 8 I C 1.837 177.897 176.117 -0.095 0.000 1.091 8 I CA 1.449 62.618 61.300 -0.217 0.000 1.368 8 I CB -0.521 37.271 38.000 -0.347 0.000 1.058 8 I HN 0.315 nan 8.210 nan 0.000 0.410 9 N N 0.917 119.642 118.700 0.042 0.000 2.036 9 N HA -0.217 4.509 4.740 -0.023 0.000 0.195 9 N C 1.368 176.956 175.510 0.130 0.000 1.037 9 N CA 1.635 54.804 53.050 0.198 0.000 0.855 9 N CB -0.168 38.461 38.487 0.237 0.000 1.033 9 N HN 0.319 nan 8.380 nan 0.000 0.423 10 D N 0.740 121.168 120.400 0.048 0.000 2.097 10 D HA -0.090 4.536 4.640 -0.023 0.000 0.197 10 D C 1.955 178.257 176.300 0.003 0.000 0.984 10 D CA 0.557 54.580 54.000 0.038 0.000 0.826 10 D CB -0.365 40.439 40.800 0.006 0.000 0.973 10 D HN 0.159 nan 8.370 nan 0.000 0.460 11 I N 0.607 121.143 120.570 -0.056 0.000 2.226 11 I HA -0.215 3.941 4.170 -0.023 0.000 0.245 11 I C 2.157 178.212 176.117 -0.104 0.000 1.100 11 I CA 0.904 62.160 61.300 -0.073 0.000 1.374 11 I CB -0.145 37.801 38.000 -0.090 0.000 1.057 11 I HN -0.187 nan 8.210 nan 0.000 0.413 12 V N 0.291 120.077 119.914 -0.213 0.000 2.237 12 V HA -0.352 3.755 4.120 -0.023 0.000 0.245 12 V C 2.405 178.366 176.094 -0.222 0.000 1.046 12 V CA 2.495 64.587 62.300 -0.346 0.000 1.007 12 V CB -1.111 30.178 31.823 -0.889 0.000 0.638 12 V HN 0.483 nan 8.190 nan 0.000 0.445 13 H N -0.655 118.372 119.070 -0.071 0.000 2.387 13 H HA -0.136 4.406 4.556 -0.023 0.000 0.299 13 H C 2.480 177.838 175.328 0.051 0.000 1.090 13 H CA 1.716 57.828 56.048 0.107 0.000 1.332 13 H CB -0.045 29.791 29.762 0.123 0.000 1.386 13 H HN 0.124 nan 8.280 nan 0.000 0.516 14 R N -0.128 120.440 120.500 0.114 0.000 2.120 14 R HA -0.068 4.258 4.340 -0.023 0.000 0.234 14 R C 1.953 178.261 176.300 0.014 0.000 1.123 14 R CA 1.779 57.912 56.100 0.056 0.000 0.975 14 R CB -0.332 29.986 30.300 0.030 0.000 0.866 14 R HN 0.304 nan 8.270 nan 0.000 0.446 15 T N 0.130 114.674 114.554 -0.018 0.000 2.901 15 T HA 0.089 4.425 4.350 -0.023 0.000 0.252 15 T C 1.541 176.185 174.700 -0.093 0.000 1.035 15 T CA 0.666 62.743 62.100 -0.038 0.000 1.142 15 T CB 0.055 68.905 68.868 -0.030 0.000 0.869 15 T HN -0.006 nan 8.240 nan 0.000 0.442 16 I N 2.037 122.507 120.570 -0.166 0.000 2.333 16 I HA -0.059 4.097 4.170 -0.023 0.000 0.246 16 I C 2.590 178.458 176.117 -0.415 0.000 1.106 16 I CA 1.242 62.316 61.300 -0.377 0.000 1.411 16 I CB -1.814 35.775 38.000 -0.686 0.000 1.082 16 I HN 0.241 nan 8.210 nan 0.000 0.420 17 T N 2.355 116.783 114.554 -0.210 0.000 2.635 17 T HA -0.113 4.223 4.350 -0.023 0.000 0.267 17 T C -0.281 174.348 174.700 -0.119 0.000 1.040 17 T CA 1.809 63.839 62.100 -0.117 0.000 1.156 17 T CB -1.482 67.445 68.868 0.099 0.000 0.863 17 T HN 0.238 nan 8.240 nan 0.000 0.430 18 P HA 0.021 nan 4.420 nan 0.000 0.218 18 P C 1.635 178.873 177.300 -0.103 0.000 1.149 18 P CA 0.420 63.481 63.100 -0.065 0.000 0.817 18 P CB -0.165 31.515 31.700 -0.034 0.000 0.785 19 L N -0.491 120.644 121.223 -0.146 0.000 1.989 19 L HA -0.166 4.160 4.340 -0.023 0.000 0.211 19 L C 2.196 178.913 176.870 -0.256 0.000 1.071 19 L CA 1.888 56.616 54.840 -0.187 0.000 0.749 19 L CB -1.180 40.752 42.059 -0.212 0.000 0.890 19 L HN -0.142 nan 8.230 nan 0.000 0.431 20 I N -0.686 119.702 120.570 -0.304 0.000 2.226 20 I HA -0.295 3.861 4.170 -0.023 0.000 0.245 20 I C 2.431 178.447 176.117 -0.167 0.000 1.100 20 I CA 1.461 62.591 61.300 -0.283 0.000 1.374 20 I CB -0.322 37.480 38.000 -0.329 0.000 1.057 20 I HN 0.363 nan 8.210 nan 0.000 0.413 21 E N 0.401 120.528 120.200 -0.123 0.000 2.031 21 E HA -0.285 4.051 4.350 -0.023 0.000 0.193 21 E C 2.260 178.822 176.600 -0.064 0.000 0.994 21 E CA 1.384 57.744 56.400 -0.067 0.000 0.800 21 E CB -0.075 29.601 29.700 -0.041 0.000 0.752 21 E HN 0.477 nan 8.360 nan 0.000 0.447 22 Q N -0.060 119.697 119.800 -0.071 0.000 2.096 22 Q HA -0.160 4.166 4.340 -0.023 0.000 0.204 22 Q C 1.877 177.845 176.000 -0.053 0.000 0.982 22 Q CA 1.125 56.898 55.803 -0.051 0.000 0.850 22 Q CB 0.159 28.871 28.738 -0.043 0.000 0.901 22 Q HN 0.180 nan 8.270 nan 0.000 0.422 23 Q N -0.013 119.728 119.800 -0.099 0.000 2.319 23 Q HA 0.078 4.404 4.340 -0.023 0.000 0.202 23 Q C -0.378 175.577 176.000 -0.075 0.000 0.896 23 Q CA 0.136 55.884 55.803 -0.092 0.000 0.942 23 Q CB 0.721 29.330 28.738 -0.215 0.000 1.083 23 Q HN 0.278 nan 8.270 nan 0.000 0.510 24 K N 0.930 121.285 120.400 -0.076 0.000 3.148 24 K HA -0.178 4.128 4.320 -0.023 0.000 0.267 24 K C -0.484 176.082 176.600 -0.057 0.000 0.996 24 K CA 0.332 56.586 56.287 -0.054 0.000 0.737 24 K CB -1.959 30.523 32.500 -0.031 0.000 1.308 24 K HN 0.296 nan 8.250 nan 0.000 0.470 25 I N 1.176 121.688 120.570 -0.096 0.000 2.452 25 I HA -0.001 4.155 4.170 -0.023 0.000 0.287 25 I C -0.877 175.236 176.117 -0.006 0.000 1.079 25 I CA -1.926 59.332 61.300 -0.069 0.000 1.387 25 I CB 0.705 38.598 38.000 -0.178 0.000 1.404 25 I HN 0.023 nan 8.210 nan 0.000 0.522 26 P HA -0.014 nan 4.420 nan 0.000 0.217 26 P C 0.401 177.798 177.300 0.162 0.000 1.150 26 P CA 0.571 63.683 63.100 0.020 0.000 0.832 26 P CB 0.296 31.905 31.700 -0.151 0.000 0.787 27 G N -1.345 107.588 108.800 0.221 0.000 2.733 27 G HA2 0.662 4.608 3.960 -0.023 0.000 0.297 27 G HA3 0.662 4.608 3.960 -0.023 0.000 0.297 27 G C -1.953 173.192 174.900 0.407 0.000 1.422 27 G CA -0.363 44.931 45.100 0.324 0.000 0.942 27 G HN 0.041 nan 8.290 nan 0.000 0.510 28 M N 1.228 121.103 119.600 0.458 0.000 2.413 28 M HA 0.723 5.189 4.480 -0.023 0.000 0.287 28 M C -1.339 175.281 176.300 0.533 0.000 1.186 28 M CA -0.560 54.985 55.300 0.408 0.000 0.927 28 M CB 2.303 35.005 32.600 0.170 0.000 1.715 28 M HN 1.012 nan 8.290 nan 0.000 0.478 29 A N 3.283 126.286 122.820 0.304 0.000 2.386 29 A HA 0.885 5.191 4.320 -0.023 0.000 0.311 29 A C -1.720 176.052 177.584 0.313 0.000 1.068 29 A CA -0.621 51.622 52.037 0.344 0.000 0.743 29 A CB 1.770 20.932 19.000 0.269 0.000 1.258 29 A HN 0.614 nan 8.150 nan 0.000 0.429 30 V N 0.976 121.175 119.914 0.474 0.000 2.638 30 V HA 0.758 4.864 4.120 -0.023 0.000 0.306 30 V C 0.086 176.461 176.094 0.467 0.000 1.052 30 V CA -0.267 62.297 62.300 0.439 0.000 0.885 30 V CB 1.781 33.896 31.823 0.488 0.000 0.999 30 V HN 1.386 nan 8.190 nan 0.000 0.424 31 A N 4.214 127.242 122.820 0.347 0.000 2.331 31 A HA 0.882 5.188 4.320 -0.023 0.000 0.320 31 A C -0.962 176.740 177.584 0.196 0.000 1.138 31 A CA -0.553 51.628 52.037 0.240 0.000 0.790 31 A CB 1.628 20.744 19.000 0.194 0.000 1.206 31 A HN 0.670 nan 8.150 nan 0.000 0.470 32 V N 4.138 124.176 119.914 0.207 0.000 2.417 32 V HA 0.339 4.445 4.120 -0.023 0.000 0.291 32 V C -0.465 175.736 176.094 0.178 0.000 1.024 32 V CA -0.539 61.877 62.300 0.193 0.000 0.861 32 V CB 1.461 33.415 31.823 0.219 0.000 0.985 32 V HN 0.704 nan 8.190 nan 0.000 0.436 33 I N 5.420 126.060 120.570 0.117 0.000 2.304 33 I HA 0.346 4.502 4.170 -0.023 0.000 0.291 33 I C -0.744 175.472 176.117 0.165 0.000 1.018 33 I CA -0.408 60.944 61.300 0.087 0.000 1.260 33 I CB 0.611 38.596 38.000 -0.026 0.000 1.390 33 I HN 0.670 nan 8.210 nan 0.000 0.475 34 Y N 6.003 126.370 120.300 0.113 0.000 2.329 34 Y HA 0.295 4.831 4.550 -0.023 0.000 0.328 34 Y C 0.348 176.297 175.900 0.081 0.000 0.992 34 Y CA -0.651 57.499 58.100 0.084 0.000 1.151 34 Y CB 1.121 39.628 38.460 0.078 0.000 1.150 34 Y HN 0.677 nan 8.280 nan 0.000 0.450 35 Q N 4.683 124.187 119.800 -0.492 0.000 2.435 35 Q HA -0.257 4.069 4.340 -0.023 0.000 0.312 35 Q C 1.126 177.042 176.000 -0.141 0.000 1.333 35 Q CA 1.223 56.824 55.803 -0.337 0.000 0.883 35 Q CB -1.502 27.013 28.738 -0.372 0.000 1.170 35 Q HN 1.375 nan 8.270 nan 0.000 0.443 36 G N -0.731 107.998 108.800 -0.119 0.000 2.212 36 G HA2 -0.359 3.587 3.960 -0.023 0.000 0.266 36 G HA3 -0.359 3.587 3.960 -0.023 0.000 0.266 36 G C 0.018 174.874 174.900 -0.074 0.000 0.978 36 G CA 0.798 45.839 45.100 -0.097 0.000 0.632 36 G HN 0.342 nan 8.290 nan 0.000 0.537 37 K N 1.257 121.637 120.400 -0.034 0.000 2.221 37 K HA 0.567 4.873 4.320 -0.023 0.000 0.258 37 K C -2.796 173.682 176.600 -0.203 0.000 0.944 37 K CA -2.037 54.182 56.287 -0.112 0.000 0.823 37 K CB 3.030 35.469 32.500 -0.102 0.000 1.113 37 K HN 0.064 nan 8.250 nan 0.000 0.431 38 P HA 0.250 nan 4.420 nan 0.000 0.292 38 P C -1.517 175.201 177.300 -0.970 0.000 1.283 38 P CA -0.526 62.261 63.100 -0.521 0.000 0.835 38 P CB 0.626 32.026 31.700 -0.499 0.000 1.017 39 Y N 1.126 121.136 120.300 -0.483 0.000 2.391 39 Y HA 0.459 4.995 4.550 -0.023 0.000 0.341 39 Y C -0.130 175.407 175.900 -0.605 0.000 0.965 39 Y CA -0.473 57.356 58.100 -0.452 0.000 1.067 39 Y CB 1.704 40.095 38.460 -0.114 0.000 1.199 39 Y HN 0.278 nan 8.280 nan 0.000 0.450 40 Y N 2.581 122.699 120.300 -0.302 0.000 2.446 40 Y HA 0.699 5.235 4.550 -0.023 0.000 0.338 40 Y C -0.956 174.501 175.900 -0.739 0.000 1.055 40 Y CA -1.631 56.298 58.100 -0.285 0.000 1.101 40 Y CB 1.357 39.724 38.460 -0.156 0.000 1.221 40 Y HN 0.394 nan 8.280 nan 0.000 0.460 41 F N 0.147 120.180 119.950 0.138 0.000 2.581 41 F HA 0.645 5.158 4.527 -0.024 0.000 0.311 41 F C -0.309 175.358 175.800 -0.222 0.000 1.113 41 F CA -0.916 56.975 58.000 -0.183 0.000 0.935 41 F CB 2.499 41.325 39.000 -0.290 0.000 1.232 41 F HN 0.410 nan 8.300 nan 0.000 0.445 42 T N -1.446 112.905 114.554 -0.338 0.000 2.900 42 T HA 0.649 4.986 4.350 -0.023 0.000 0.303 42 T C -1.690 172.836 174.700 -0.288 0.000 1.142 42 T CA -0.747 61.297 62.100 -0.092 0.000 1.007 42 T CB 1.857 70.756 68.868 0.052 0.000 1.156 42 T HN 0.602 nan 8.240 nan 0.000 0.490 43 W N 0.573 121.952 121.300 0.133 0.000 3.022 43 W HA 0.508 5.154 4.660 -0.024 0.000 0.335 43 W C 0.815 177.358 176.519 0.041 0.000 1.133 43 W CA -0.160 57.237 57.345 0.087 0.000 1.219 43 W CB 1.797 31.316 29.460 0.097 0.000 1.409 43 W HN 1.424 nan 8.180 nan 0.000 0.507 44 G N 1.591 110.486 108.800 0.159 0.000 2.539 44 G HA2 -0.309 3.637 3.960 -0.023 0.000 0.256 44 G HA3 -0.309 3.637 3.960 -0.023 0.000 0.256 44 G C -1.755 172.992 174.900 -0.255 0.000 1.233 44 G CA -0.179 44.937 45.100 0.026 0.000 0.936 44 G HN 0.503 nan 8.290 nan 0.000 0.571 45 Y N 0.387 120.778 120.300 0.152 0.000 2.350 45 Y HA 0.607 5.144 4.550 -0.021 0.000 0.338 45 Y C 1.302 177.306 175.900 0.173 0.000 0.961 45 Y CA 0.166 58.342 58.100 0.128 0.000 1.100 45 Y CB 1.915 40.411 38.460 0.061 0.000 1.179 45 Y HN 0.858 nan 8.280 nan 0.000 0.454 46 A N 1.361 124.341 122.820 0.267 0.000 1.929 46 A HA -0.056 4.250 4.320 -0.023 0.000 0.216 46 A C 0.320 178.125 177.584 0.367 0.000 1.176 46 A CA 1.610 53.784 52.037 0.228 0.000 0.628 46 A CB 0.026 19.088 19.000 0.105 0.000 0.816 46 A HN 0.638 nan 8.150 nan 0.000 0.444 47 D N -1.287 119.354 120.400 0.403 0.000 2.479 47 D HA 0.389 5.016 4.640 -0.023 0.000 0.246 47 D C 0.627 177.111 176.300 0.308 0.000 1.336 47 D CA -0.459 53.807 54.000 0.442 0.000 0.967 47 D CB 0.636 41.679 40.800 0.405 0.000 1.275 47 D HN 0.133 nan 8.370 nan 0.000 0.577 48 I N 2.196 122.891 120.570 0.209 0.000 2.142 48 I HA -0.239 3.917 4.170 -0.023 0.000 0.240 48 I C 2.487 178.539 176.117 -0.110 0.000 1.078 48 I CA 1.333 62.565 61.300 -0.113 0.000 1.343 48 I CB -0.141 37.693 38.000 -0.277 0.000 1.046 48 I HN 0.459 nan 8.210 nan 0.000 0.405 49 A N 0.783 123.588 122.820 -0.025 0.000 1.917 49 A HA -0.235 4.071 4.320 -0.023 0.000 0.219 49 A C 2.160 179.737 177.584 -0.013 0.000 1.182 49 A CA 1.828 53.839 52.037 -0.043 0.000 0.633 49 A CB -0.460 18.505 19.000 -0.058 0.000 0.819 49 A HN 0.403 nan 8.150 nan 0.000 0.448 50 K N -1.002 119.427 120.400 0.048 0.000 2.417 50 K HA 0.137 4.443 4.320 -0.023 0.000 0.196 50 K C -0.353 176.309 176.600 0.103 0.000 1.023 50 K CA 0.154 56.486 56.287 0.075 0.000 1.122 50 K CB 0.200 32.768 32.500 0.112 0.000 0.850 50 K HN 0.450 nan 8.250 nan 0.000 0.521 51 K N 1.211 121.668 120.400 0.094 0.000 3.069 51 K HA -0.163 4.143 4.320 -0.023 0.000 0.267 51 K C -0.760 176.068 176.600 0.380 0.000 1.082 51 K CA 0.549 56.947 56.287 0.185 0.000 0.782 51 K CB -1.081 31.487 32.500 0.113 0.000 1.230 51 K HN 0.180 nan 8.250 nan 0.000 0.488 52 Q N 0.595 120.606 119.800 0.353 0.000 2.294 52 Q HA 0.246 4.573 4.340 -0.023 0.000 0.257 52 Q C -2.142 173.991 176.000 0.222 0.000 0.955 52 Q CA -1.883 54.069 55.803 0.247 0.000 0.936 52 Q CB 1.006 29.858 28.738 0.191 0.000 1.188 52 Q HN 0.130 nan 8.270 nan 0.000 0.420 53 P HA 0.133 nan 4.420 nan 0.000 0.276 53 P C -0.231 177.053 177.300 -0.027 0.000 1.244 53 P CA -0.484 62.514 63.100 -0.170 0.000 0.801 53 P CB 0.945 32.539 31.700 -0.177 0.000 1.006 54 V N 2.117 122.030 119.914 -0.002 0.000 2.529 54 V HA 0.205 4.311 4.120 -0.023 0.000 0.292 54 V C 1.274 177.415 176.094 0.078 0.000 1.028 54 V CA 0.719 63.087 62.300 0.114 0.000 1.074 54 V CB 0.056 32.044 31.823 0.275 0.000 0.958 54 V HN 0.861 nan 8.190 nan 0.000 0.481 55 T N 1.473 116.076 114.554 0.081 0.000 2.858 55 T HA 0.358 4.694 4.350 -0.023 0.000 0.285 55 T C 0.523 175.251 174.700 0.046 0.000 1.052 55 T CA -0.734 61.385 62.100 0.032 0.000 1.009 55 T CB 1.645 70.507 68.868 -0.010 0.000 1.241 55 T HN 0.457 nan 8.240 nan 0.000 0.542 56 Q N -0.359 119.414 119.800 -0.045 0.000 2.437 56 Q HA -0.052 4.274 4.340 -0.023 0.000 0.210 56 Q C 1.307 177.240 176.000 -0.112 0.000 0.972 56 Q CA 1.098 56.822 55.803 -0.132 0.000 0.903 56 Q CB -0.136 28.407 28.738 -0.326 0.000 0.967 56 Q HN 0.572 nan 8.270 nan 0.000 0.486 57 Q N -0.774 118.979 119.800 -0.079 0.000 2.282 57 Q HA 0.098 4.424 4.340 -0.023 0.000 0.206 57 Q C -0.157 175.829 176.000 -0.022 0.000 0.878 57 Q CA 0.248 55.990 55.803 -0.102 0.000 0.944 57 Q CB 0.951 29.605 28.738 -0.141 0.000 1.100 57 Q HN 0.041 nan 8.270 nan 0.000 0.509 58 T N 1.215 115.794 114.554 0.041 0.000 2.870 58 T HA 0.255 4.591 4.350 -0.023 0.000 0.300 58 T C -0.042 174.687 174.700 0.049 0.000 0.989 58 T CA -0.084 62.023 62.100 0.013 0.000 1.139 58 T CB 0.325 69.177 68.868 -0.028 0.000 0.920 58 T HN 0.140 nan 8.240 nan 0.000 0.537 59 L N 3.950 125.170 121.223 -0.004 0.000 2.305 59 L HA 0.509 4.835 4.340 -0.023 0.000 0.281 59 L C -0.535 176.317 176.870 -0.029 0.000 1.085 59 L CA -0.493 54.373 54.840 0.044 0.000 0.813 59 L CB 0.446 42.488 42.059 -0.029 0.000 1.157 59 L HN 0.547 nan 8.230 nan 0.000 0.436 60 F N 0.510 120.514 119.950 0.090 0.000 2.522 60 F HA 0.336 4.850 4.527 -0.022 0.000 0.324 60 F C 0.372 175.972 175.800 -0.335 0.000 1.077 60 F CA -0.872 57.130 58.000 0.003 0.000 0.944 60 F CB 1.499 40.631 39.000 0.220 0.000 1.175 60 F HN 0.396 nan 8.300 nan 0.000 0.468 61 E N 3.294 123.013 120.200 -0.802 0.000 2.265 61 E HA 0.105 4.441 4.350 -0.023 0.000 0.272 61 E C 0.556 177.087 176.600 -0.115 0.000 1.067 61 E CA -0.002 56.096 56.400 -0.504 0.000 0.900 61 E CB 0.726 30.021 29.700 -0.675 0.000 1.017 61 E HN 0.633 nan 8.360 nan 0.000 0.431 62 L N 3.019 124.251 121.223 0.015 0.000 2.395 62 L HA -0.013 4.314 4.340 -0.023 0.000 0.218 62 L C 1.542 178.508 176.870 0.160 0.000 1.130 62 L CA 0.573 55.486 54.840 0.121 0.000 0.826 62 L CB -0.942 41.196 42.059 0.132 0.000 0.941 62 L HN 0.905 nan 8.230 nan 0.000 0.451 63 G N 0.477 109.373 108.800 0.160 0.000 2.634 63 G HA2 -0.409 3.537 3.960 -0.023 0.000 0.309 63 G HA3 -0.409 3.537 3.960 -0.023 0.000 0.309 63 G C 0.911 175.957 174.900 0.243 0.000 1.265 63 G CA 0.509 45.741 45.100 0.219 0.000 0.998 63 G HN 0.242 nan 8.290 nan 0.000 0.551 64 S N -0.075 115.769 115.700 0.242 0.000 2.500 64 S HA 0.006 4.463 4.470 -0.023 0.000 0.239 64 S C 2.395 177.123 174.600 0.213 0.000 0.989 64 S CA 1.312 59.671 58.200 0.265 0.000 0.951 64 S CB -0.147 63.243 63.200 0.317 0.000 0.759 64 S HN 0.735 nan 8.310 nan 0.000 0.523 65 V N 1.771 121.793 119.914 0.180 0.000 2.688 65 V HA -0.175 3.931 4.120 -0.023 0.000 0.256 65 V C 2.183 178.377 176.094 0.167 0.000 1.084 65 V CA 1.540 63.922 62.300 0.137 0.000 1.103 65 V CB -0.963 30.958 31.823 0.164 0.000 0.688 65 V HN 0.461 nan 8.190 nan 0.000 0.480 66 S N -0.239 115.597 115.700 0.225 0.000 2.402 66 S HA -0.254 4.202 4.470 -0.023 0.000 0.233 66 S C 1.922 176.676 174.600 0.258 0.000 1.030 66 S CA 1.438 59.808 58.200 0.282 0.000 1.003 66 S CB -0.296 63.013 63.200 0.182 0.000 0.813 66 S HN 0.656 nan 8.310 nan 0.000 0.477 67 K N 0.837 121.342 120.400 0.174 0.000 2.209 67 K HA -0.097 4.209 4.320 -0.023 0.000 0.204 67 K C 2.455 179.084 176.600 0.049 0.000 1.048 67 K CA 1.562 57.934 56.287 0.143 0.000 0.940 67 K CB -0.468 32.137 32.500 0.175 0.000 0.729 67 K HN 0.632 nan 8.250 nan 0.000 0.451 68 T N -1.104 113.377 114.554 -0.122 0.000 2.821 68 T HA -0.112 4.224 4.350 -0.023 0.000 0.267 68 T C 1.748 176.459 174.700 0.018 0.000 1.046 68 T CA 0.856 62.725 62.100 -0.385 0.000 1.139 68 T CB -0.367 67.900 68.868 -1.002 0.000 0.871 68 T HN 0.012 nan 8.240 nan 0.000 0.454 69 F N 2.204 122.199 119.950 0.075 0.000 2.113 69 F HA 0.043 4.557 4.527 -0.023 0.000 0.297 69 F C 3.041 178.894 175.800 0.088 0.000 1.103 69 F CA 1.376 59.367 58.000 -0.016 0.000 1.248 69 F CB -1.243 37.626 39.000 -0.218 0.000 0.999 69 F HN 0.125 nan 8.300 nan 0.000 0.475 70 T N -0.379 114.376 114.554 0.335 0.000 2.684 70 T HA -0.186 4.150 4.350 -0.023 0.000 0.267 70 T C 2.369 177.263 174.700 0.324 0.000 1.036 70 T CA 1.558 63.872 62.100 0.356 0.000 1.148 70 T CB -1.158 67.913 68.868 0.339 0.000 0.863 70 T HN 0.446 nan 8.240 nan 0.000 0.436 71 G N 0.978 109.936 108.800 0.264 0.000 2.446 71 G HA2 -0.194 3.752 3.960 -0.023 0.000 0.217 71 G HA3 -0.194 3.752 3.960 -0.023 0.000 0.217 71 G C 1.723 176.786 174.900 0.272 0.000 1.168 71 G CA 0.984 46.234 45.100 0.250 0.000 0.771 71 G HN 0.442 nan 8.290 nan 0.000 0.551 72 V N 0.644 120.733 119.914 0.292 0.000 2.343 72 V HA -0.123 3.983 4.120 -0.023 0.000 0.247 72 V C 2.694 178.913 176.094 0.208 0.000 1.051 72 V CA 1.609 64.087 62.300 0.297 0.000 1.036 72 V CB -0.406 31.692 31.823 0.458 0.000 0.654 72 V HN 0.348 nan 8.190 nan 0.000 0.451 73 L N 1.256 122.576 121.223 0.161 0.000 2.083 73 L HA -0.039 4.287 4.340 -0.023 0.000 0.209 73 L C 2.307 179.191 176.870 0.024 0.000 1.083 73 L CA 2.400 57.255 54.840 0.025 0.000 0.752 73 L CB -1.212 40.779 42.059 -0.114 0.000 0.899 73 L HN 0.269 nan 8.230 nan 0.000 0.433 74 G N -1.125 107.745 108.800 0.116 0.000 2.421 74 G HA2 -0.204 3.742 3.960 -0.023 0.000 0.216 74 G HA3 -0.204 3.742 3.960 -0.023 0.000 0.216 74 G C 1.548 176.548 174.900 0.165 0.000 1.171 74 G CA 0.558 45.738 45.100 0.134 0.000 0.775 74 G HN 0.585 nan 8.290 nan 0.000 0.543 75 G N 0.789 109.705 108.800 0.193 0.000 2.476 75 G HA2 -0.322 3.624 3.960 -0.023 0.000 0.218 75 G HA3 -0.322 3.624 3.960 -0.023 0.000 0.218 75 G C 1.464 176.421 174.900 0.094 0.000 1.164 75 G CA 1.524 46.714 45.100 0.150 0.000 0.768 75 G HN 0.522 nan 8.290 nan 0.000 0.560 76 D N 0.461 120.905 120.400 0.073 0.000 2.117 76 D HA 0.029 4.655 4.640 -0.023 0.000 0.197 76 D C 2.663 178.968 176.300 0.008 0.000 0.987 76 D CA 1.546 55.566 54.000 0.034 0.000 0.829 76 D CB -0.303 40.507 40.800 0.016 0.000 0.961 76 D HN 0.267 nan 8.370 nan 0.000 0.460 77 A N -0.014 122.799 122.820 -0.010 0.000 1.933 77 A HA -0.090 4.216 4.320 -0.023 0.000 0.218 77 A C 2.317 179.898 177.584 -0.005 0.000 1.175 77 A CA 1.130 53.145 52.037 -0.036 0.000 0.628 77 A CB -0.757 18.186 19.000 -0.096 0.000 0.814 77 A HN 0.391 nan 8.150 nan 0.000 0.444 78 I N -0.133 120.455 120.570 0.029 0.000 2.179 78 I HA -0.279 3.877 4.170 -0.023 0.000 0.242 78 I C 2.929 179.070 176.117 0.040 0.000 1.088 78 I CA 1.186 62.516 61.300 0.049 0.000 1.357 78 I CB -0.342 37.708 38.000 0.083 0.000 1.051 78 I HN 0.329 nan 8.210 nan 0.000 0.409 79 A N 0.716 123.559 122.820 0.038 0.000 1.969 79 A HA -0.157 4.149 4.320 -0.023 0.000 0.218 79 A C 2.311 179.905 177.584 0.017 0.000 1.169 79 A CA 1.286 53.340 52.037 0.029 0.000 0.635 79 A CB -0.545 18.473 19.000 0.029 0.000 0.810 79 A HN 0.340 nan 8.150 nan 0.000 0.445 80 R N -1.304 119.202 120.500 0.009 0.000 2.316 80 R HA 0.119 4.445 4.340 -0.023 0.000 0.202 80 R C 1.344 177.649 176.300 0.007 0.000 1.029 80 R CA 0.539 56.640 56.100 0.001 0.000 1.018 80 R CB -0.234 30.059 30.300 -0.012 0.000 0.888 80 R HN 0.701 nan 8.270 nan 0.000 0.471 81 G N 0.948 109.758 108.800 0.017 0.000 2.148 81 G HA2 -0.319 3.627 3.960 -0.023 0.000 0.254 81 G HA3 -0.319 3.627 3.960 -0.023 0.000 0.254 81 G C 0.545 175.464 174.900 0.033 0.000 0.981 81 G CA 0.561 45.677 45.100 0.026 0.000 0.670 81 G HN 0.456 nan 8.290 nan 0.000 0.528 82 E N -0.567 119.644 120.200 0.020 0.000 2.170 82 E HA 0.249 4.586 4.350 -0.023 0.000 0.191 82 E C 1.514 178.146 176.600 0.052 0.000 0.981 82 E CA 1.132 57.546 56.400 0.023 0.000 0.830 82 E CB 0.182 29.871 29.700 -0.018 0.000 0.775 82 E HN 0.907 nan 8.360 nan 0.000 0.470 83 I N -2.686 117.900 120.570 0.027 0.000 3.074 83 I HA 0.490 4.646 4.170 -0.023 0.000 0.310 83 I C -1.322 174.847 176.117 0.087 0.000 1.153 83 I CA -1.240 60.091 61.300 0.051 0.000 0.993 83 I CB 2.305 40.207 38.000 -0.164 0.000 1.237 83 I HN -0.357 nan 8.210 nan 0.000 0.443 84 K N 2.763 123.245 120.400 0.137 0.000 2.371 84 K HA 0.500 4.806 4.320 -0.023 0.000 0.251 84 K C 0.072 176.750 176.600 0.130 0.000 0.934 84 K CA -0.780 55.578 56.287 0.119 0.000 0.798 84 K CB 2.889 35.457 32.500 0.112 0.000 1.204 84 K HN 0.624 nan 8.250 nan 0.000 0.427 85 L N 1.076 122.359 121.223 0.099 0.000 2.275 85 L HA -0.162 4.164 4.340 -0.023 0.000 0.215 85 L C 2.008 178.910 176.870 0.053 0.000 1.119 85 L CA 1.251 56.133 54.840 0.070 0.000 0.790 85 L CB -0.265 41.791 42.059 -0.005 0.000 0.919 85 L HN 0.712 nan 8.230 nan 0.000 0.443 86 S N -2.531 113.210 115.700 0.068 0.000 2.522 86 S HA -0.029 4.427 4.470 -0.023 0.000 0.227 86 S C 0.610 175.273 174.600 0.105 0.000 0.986 86 S CA -0.174 58.065 58.200 0.065 0.000 0.929 86 S CB -0.394 62.842 63.200 0.060 0.000 0.769 86 S HN 0.231 nan 8.310 nan 0.000 0.529 87 D N 4.146 124.638 120.400 0.153 0.000 2.424 87 D HA 0.283 4.909 4.640 -0.023 0.000 0.244 87 D C -2.574 173.854 176.300 0.213 0.000 1.134 87 D CA -1.517 52.601 54.000 0.196 0.000 0.881 87 D CB 0.602 41.612 40.800 0.350 0.000 1.191 87 D HN 0.173 nan 8.370 nan 0.000 0.445 88 P HA 0.014 nan 4.420 nan 0.000 0.268 88 P C 0.822 178.269 177.300 0.246 0.000 1.204 88 P CA -0.061 63.159 63.100 0.200 0.000 0.768 88 P CB 0.518 32.302 31.700 0.140 0.000 0.842 89 T N 1.179 115.914 114.554 0.302 0.000 2.685 89 T HA -0.215 4.121 4.350 -0.023 0.000 0.268 89 T C 1.722 176.546 174.700 0.207 0.000 1.034 89 T CA 2.563 64.840 62.100 0.295 0.000 1.149 89 T CB -1.171 67.892 68.868 0.324 0.000 0.860 89 T HN 0.645 nan 8.240 nan 0.000 0.449 90 T N 0.630 115.265 114.554 0.136 0.000 2.849 90 T HA -0.129 4.207 4.350 -0.023 0.000 0.270 90 T C 1.784 176.487 174.700 0.004 0.000 1.066 90 T CA 1.479 63.608 62.100 0.049 0.000 1.130 90 T CB -0.350 68.541 68.868 0.039 0.000 0.864 90 T HN 0.434 nan 8.240 nan 0.000 0.481 91 K N 0.282 120.643 120.400 -0.066 0.000 2.113 91 K HA -0.153 4.153 4.320 -0.023 0.000 0.208 91 K C 1.403 177.727 176.600 -0.459 0.000 1.047 91 K CA 1.557 57.657 56.287 -0.311 0.000 0.928 91 K CB -0.258 31.940 32.500 -0.502 0.000 0.716 91 K HN 0.596 nan 8.250 nan 0.000 0.446 92 Y N -2.595 117.742 120.300 0.062 0.000 2.462 92 Y HA 0.087 4.623 4.550 -0.023 0.000 0.261 92 Y C 0.197 176.152 175.900 0.091 0.000 1.146 92 Y CA -0.539 57.583 58.100 0.036 0.000 1.283 92 Y CB 0.592 39.044 38.460 -0.014 0.000 1.090 92 Y HN 0.130 nan 8.280 nan 0.000 0.526 93 W N 2.382 123.667 121.300 -0.025 0.000 2.330 93 W HA 0.394 5.040 4.660 -0.024 0.000 0.286 93 W C -2.632 173.830 176.519 -0.096 0.000 1.019 93 W CA -3.660 53.638 57.345 -0.078 0.000 1.485 93 W CB 1.133 30.500 29.460 -0.154 0.000 1.457 93 W HN -0.107 nan 8.180 nan 0.000 0.359 94 P HA -0.147 nan 4.420 nan 0.000 0.223 94 P C 1.055 178.329 177.300 -0.045 0.000 1.151 94 P CA 1.641 64.761 63.100 0.034 0.000 0.787 94 P CB 0.552 32.277 31.700 0.042 0.000 0.788 95 E N -0.900 119.267 120.200 -0.056 0.000 2.418 95 E HA -0.050 4.286 4.350 -0.023 0.000 0.197 95 E C 0.562 176.912 176.600 -0.417 0.000 1.026 95 E CA 0.262 56.554 56.400 -0.180 0.000 0.862 95 E CB -0.717 28.932 29.700 -0.085 0.000 0.799 95 E HN 0.110 nan 8.360 nan 0.000 0.518 96 L N 1.667 122.508 121.223 -0.638 0.000 2.384 96 L HA 0.071 4.397 4.340 -0.023 0.000 0.258 96 L C 0.872 177.535 176.870 -0.346 0.000 1.266 96 L CA 0.458 54.859 54.840 -0.732 0.000 1.162 96 L CB -0.377 41.053 42.059 -1.048 0.000 1.375 96 L HN 0.054 nan 8.230 nan 0.000 0.420 97 T N -0.972 113.457 114.554 -0.209 0.000 3.065 97 T HA 0.318 4.654 4.350 -0.023 0.000 0.252 97 T C 0.910 175.616 174.700 0.010 0.000 1.099 97 T CA 0.232 62.288 62.100 -0.074 0.000 1.063 97 T CB 0.009 68.841 68.868 -0.059 0.000 0.948 97 T HN 0.491 nan 8.240 nan 0.000 0.506 98 A N 2.606 125.458 122.820 0.053 0.000 2.477 98 A HA 0.350 4.656 4.320 -0.023 0.000 0.246 98 A C 1.557 179.261 177.584 0.199 0.000 1.078 98 A CA -0.293 51.825 52.037 0.135 0.000 0.770 98 A CB 0.277 19.393 19.000 0.194 0.000 1.011 98 A HN 0.621 nan 8.150 nan 0.000 0.494 99 K N 2.049 122.508 120.400 0.099 0.000 2.362 99 K HA -0.181 4.126 4.320 -0.023 0.000 0.200 99 K C 1.380 178.011 176.600 0.051 0.000 1.046 99 K CA 1.319 57.650 56.287 0.073 0.000 0.952 99 K CB 0.021 32.535 32.500 0.024 0.000 0.753 99 K HN 0.805 nan 8.250 nan 0.000 0.466 100 Q N 0.438 120.234 119.800 -0.005 0.000 2.364 100 Q HA -0.172 4.154 4.340 -0.023 0.000 0.209 100 Q C 0.819 176.707 176.000 -0.186 0.000 0.977 100 Q CA 1.209 56.910 55.803 -0.171 0.000 0.885 100 Q CB -0.514 27.998 28.738 -0.376 0.000 0.941 100 Q HN 0.595 nan 8.270 nan 0.000 0.464 101 W N 1.746 123.088 121.300 0.069 0.000 2.905 101 W HA 0.136 4.781 4.660 -0.024 0.000 0.251 101 W C 0.092 176.669 176.519 0.098 0.000 1.305 101 W CA -0.506 56.910 57.345 0.117 0.000 1.465 101 W CB 0.085 29.599 29.460 0.089 0.000 1.122 101 W HN 0.002 nan 8.180 nan 0.000 0.659 102 N N 0.740 119.568 118.700 0.213 0.000 2.440 102 N HA 0.221 4.947 4.740 -0.023 0.000 0.265 102 N C 1.089 176.680 175.510 0.135 0.000 1.239 102 N CA 1.566 54.709 53.050 0.154 0.000 0.909 102 N CB 0.503 39.047 38.487 0.094 0.000 1.066 102 N HN 0.227 nan 8.380 nan 0.000 0.474 103 G N 1.668 110.570 108.800 0.170 0.000 2.176 103 G HA2 -0.263 3.683 3.960 -0.023 0.000 0.253 103 G HA3 -0.263 3.683 3.960 -0.023 0.000 0.253 103 G C 0.089 175.149 174.900 0.266 0.000 0.979 103 G CA -0.343 44.868 45.100 0.184 0.000 0.641 103 G HN 0.547 nan 8.290 nan 0.000 0.530 104 I N 2.858 123.606 120.570 0.298 0.000 2.304 104 I HA 0.406 4.562 4.170 -0.023 0.000 0.291 104 I C 1.130 177.542 176.117 0.492 0.000 1.018 104 I CA 0.105 61.651 61.300 0.410 0.000 1.260 104 I CB 1.163 39.341 38.000 0.296 0.000 1.390 104 I HN 0.296 nan 8.210 nan 0.000 0.475 105 T N 2.912 117.800 114.554 0.556 0.000 2.923 105 T HA 0.458 4.794 4.350 -0.023 0.000 0.281 105 T C 1.245 176.077 174.700 0.220 0.000 0.995 105 T CA -0.876 61.383 62.100 0.265 0.000 0.985 105 T CB 1.451 70.347 68.868 0.047 0.000 1.114 105 T HN 0.406 nan 8.240 nan 0.000 0.548 106 L N 0.262 121.605 121.223 0.200 0.000 2.079 106 L HA -0.051 4.275 4.340 -0.023 0.000 0.210 106 L C 2.566 179.450 176.870 0.024 0.000 1.081 106 L CA 0.987 55.963 54.840 0.226 0.000 0.752 106 L CB -0.817 41.419 42.059 0.295 0.000 0.896 106 L HN 0.604 nan 8.230 nan 0.000 0.433 107 L N -0.238 120.930 121.223 -0.091 0.000 2.013 107 L HA -0.276 4.050 4.340 -0.023 0.000 0.212 107 L C 2.414 179.213 176.870 -0.118 0.000 1.073 107 L CA 2.017 56.727 54.840 -0.217 0.000 0.753 107 L CB -0.632 41.300 42.059 -0.212 0.000 0.890 107 L HN 0.246 nan 8.230 nan 0.000 0.432 108 H N -1.220 117.909 119.070 0.099 0.000 2.353 108 H HA -0.131 4.411 4.556 -0.023 0.000 0.300 108 H C 2.242 177.563 175.328 -0.011 0.000 1.090 108 H CA 1.622 57.716 56.048 0.078 0.000 1.327 108 H CB -0.157 29.676 29.762 0.119 0.000 1.383 108 H HN 0.317 nan 8.280 nan 0.000 0.508 109 L N 0.168 121.472 121.223 0.134 0.000 2.017 109 L HA -0.177 4.149 4.340 -0.023 0.000 0.208 109 L C 2.847 179.638 176.870 -0.131 0.000 1.073 109 L CA 0.894 55.783 54.840 0.082 0.000 0.745 109 L CB -0.557 41.624 42.059 0.203 0.000 0.894 109 L HN 0.357 nan 8.230 nan 0.000 0.432 110 A N -0.150 122.408 122.820 -0.436 0.000 1.972 110 A HA -0.178 4.128 4.320 -0.023 0.000 0.219 110 A C 2.105 179.250 177.584 -0.731 0.000 1.169 110 A CA 2.162 53.678 52.037 -0.869 0.000 0.635 110 A CB -0.715 17.368 19.000 -1.529 0.000 0.810 110 A HN 0.536 nan 8.150 nan 0.000 0.446 111 T N -6.412 107.819 114.554 -0.538 0.000 3.129 111 T HA 0.329 4.665 4.350 -0.023 0.000 0.267 111 T C 0.214 174.630 174.700 -0.474 0.000 1.018 111 T CA 0.225 62.009 62.100 -0.528 0.000 0.903 111 T CB -0.466 68.401 68.868 -0.002 0.000 1.067 111 T HN 0.698 nan 8.240 nan 0.000 0.549 112 Y N 0.851 121.115 120.300 -0.060 0.000 4.272 112 Y HA -0.250 4.286 4.550 -0.023 0.000 0.232 112 Y C 1.168 177.014 175.900 -0.091 0.000 1.149 112 Y CA 0.462 58.525 58.100 -0.062 0.000 1.961 112 Y CB -3.183 35.248 38.460 -0.049 0.000 1.611 112 Y HN 0.615 nan 8.280 nan 0.000 0.682 113 T N -4.431 110.098 114.554 -0.042 0.000 3.228 113 T HA 0.698 5.034 4.350 -0.023 0.000 0.278 113 T C 1.440 176.092 174.700 -0.080 0.000 1.014 113 T CA 0.170 62.161 62.100 -0.182 0.000 0.904 113 T CB 0.540 69.047 68.868 -0.602 0.000 1.110 113 T HN 0.493 nan 8.240 nan 0.000 0.541 114 A N 1.336 124.175 122.820 0.031 0.000 2.121 114 A HA 0.538 4.844 4.320 -0.023 0.000 0.218 114 A C 1.930 179.575 177.584 0.103 0.000 1.154 114 A CA 0.685 52.732 52.037 0.016 0.000 0.679 114 A CB -0.905 18.091 19.000 -0.007 0.000 0.795 114 A HN 1.539 nan 8.150 nan 0.000 0.458 115 G N -3.160 105.775 108.800 0.224 0.000 2.186 115 G HA2 0.384 4.330 3.960 -0.023 0.000 0.130 115 G HA3 0.384 4.330 3.960 -0.023 0.000 0.130 115 G C 1.004 176.221 174.900 0.528 0.000 1.031 115 G CA 0.346 45.684 45.100 0.396 0.000 0.697 115 G HN 2.029 nan 8.290 nan 0.000 0.494 116 G N -0.910 108.233 108.800 0.573 0.000 2.181 116 G HA2 -0.062 3.884 3.960 -0.023 0.000 0.152 116 G HA3 -0.062 3.884 3.960 -0.023 0.000 0.152 116 G C 0.401 175.566 174.900 0.442 0.000 1.026 116 G CA -0.073 45.310 45.100 0.472 0.000 0.699 116 G HN 1.267 nan 8.290 nan 0.000 0.497 117 L N 1.817 123.120 121.223 0.133 0.000 2.525 117 L HA 0.232 4.558 4.340 -0.023 0.000 0.278 117 L C -0.829 176.073 176.870 0.054 0.000 1.218 117 L CA -1.085 53.611 54.840 -0.240 0.000 0.878 117 L CB 0.320 42.160 42.059 -0.366 0.000 1.127 117 L HN 0.125 nan 8.230 nan 0.000 0.492 118 P HA -0.005 nan 4.420 nan 0.000 0.274 118 P C 0.502 177.873 177.300 0.119 0.000 1.237 118 P CA -0.607 62.585 63.100 0.154 0.000 0.793 118 P CB 1.172 32.996 31.700 0.207 0.000 0.977 119 L N 1.046 122.332 121.223 0.105 0.000 2.043 119 L HA -0.153 4.173 4.340 -0.023 0.000 0.212 119 L C 0.623 177.536 176.870 0.072 0.000 1.075 119 L CA 2.196 57.087 54.840 0.085 0.000 0.752 119 L CB -0.881 41.235 42.059 0.095 0.000 0.891 119 L HN 0.432 nan 8.230 nan 0.000 0.432 120 Q N -1.194 118.642 119.800 0.060 0.000 2.353 120 Q HA 0.502 4.828 4.340 -0.023 0.000 0.268 120 Q C -0.812 175.169 176.000 -0.033 0.000 1.045 120 Q CA -0.710 55.109 55.803 0.027 0.000 0.811 120 Q CB 2.257 30.993 28.738 -0.002 0.000 1.305 120 Q HN -0.081 nan 8.270 nan 0.000 0.447 121 V N 3.572 123.433 119.914 -0.088 0.000 2.585 121 V HA 0.129 4.235 4.120 -0.023 0.000 0.296 121 V C -1.978 173.924 176.094 -0.320 0.000 1.035 121 V CA -1.121 60.957 62.300 -0.370 0.000 1.084 121 V CB 0.042 31.699 31.823 -0.277 0.000 0.953 121 V HN 0.680 nan 8.190 nan 0.000 0.483 122 P HA 0.061 nan 4.420 nan 0.000 0.266 122 P C 0.344 177.548 177.300 -0.160 0.000 1.195 122 P CA -0.064 62.896 63.100 -0.233 0.000 0.768 122 P CB 0.463 32.028 31.700 -0.225 0.000 0.838 123 D N 1.847 122.199 120.400 -0.080 0.000 2.190 123 D HA -0.189 4.437 4.640 -0.023 0.000 0.200 123 D C 1.603 177.878 176.300 -0.042 0.000 0.992 123 D CA 1.249 55.223 54.000 -0.043 0.000 0.854 123 D CB -0.211 40.578 40.800 -0.018 0.000 0.936 123 D HN 0.586 nan 8.370 nan 0.000 0.462 124 E N 0.805 120.977 120.200 -0.047 0.000 2.338 124 E HA -0.084 4.252 4.350 -0.023 0.000 0.197 124 E C 0.575 177.155 176.600 -0.034 0.000 1.007 124 E CA 0.208 56.591 56.400 -0.028 0.000 0.849 124 E CB -0.221 29.470 29.700 -0.014 0.000 0.774 124 E HN 0.057 nan 8.360 nan 0.000 0.506 125 V N 2.379 122.246 119.914 -0.079 0.000 2.397 125 V HA 0.043 4.149 4.120 -0.023 0.000 0.262 125 V C 0.791 176.865 176.094 -0.034 0.000 1.047 125 V CA 0.287 62.545 62.300 -0.071 0.000 1.003 125 V CB 0.744 32.456 31.823 -0.185 0.000 1.037 125 V HN 0.062 nan 8.190 nan 0.000 0.480 126 K N 2.504 122.904 120.400 0.000 0.000 2.309 126 K HA 0.184 4.490 4.320 -0.023 0.000 0.210 126 K C 1.193 177.805 176.600 0.021 0.000 1.114 126 K CA 0.551 56.843 56.287 0.008 0.000 0.912 126 K CB 0.181 32.687 32.500 0.011 0.000 1.198 126 K HN 0.717 nan 8.250 nan 0.000 0.471 127 S N -0.038 115.683 115.700 0.035 0.000 2.655 127 S HA 0.070 4.526 4.470 -0.023 0.000 0.265 127 S C 1.312 175.953 174.600 0.069 0.000 1.240 127 S CA 0.001 58.227 58.200 0.044 0.000 0.986 127 S CB 1.342 64.570 63.200 0.047 0.000 0.985 127 S HN 0.261 nan 8.310 nan 0.000 0.562 128 S N 0.719 116.459 115.700 0.067 0.000 2.382 128 S HA -0.170 4.286 4.470 -0.023 0.000 0.228 128 S C 2.063 176.764 174.600 0.168 0.000 1.027 128 S CA 1.243 59.504 58.200 0.101 0.000 0.991 128 S CB -1.389 61.850 63.200 0.065 0.000 0.823 128 S HN 1.084 nan 8.310 nan 0.000 0.469 129 S N 2.299 118.075 115.700 0.128 0.000 2.368 129 S HA -0.165 4.291 4.470 -0.023 0.000 0.224 129 S C 1.524 176.211 174.600 0.144 0.000 1.029 129 S CA 1.194 59.473 58.200 0.132 0.000 0.988 129 S CB -0.826 62.427 63.200 0.089 0.000 0.838 129 S HN 0.440 nan 8.310 nan 0.000 0.462 130 D N 1.701 122.175 120.400 0.124 0.000 2.104 130 D HA -0.054 4.572 4.640 -0.023 0.000 0.194 130 D C 2.020 178.440 176.300 0.199 0.000 0.994 130 D CA 1.049 55.124 54.000 0.126 0.000 0.830 130 D CB -0.502 40.345 40.800 0.079 0.000 0.959 130 D HN 0.332 nan 8.370 nan 0.000 0.452 131 L N 0.214 121.585 121.223 0.246 0.000 2.046 131 L HA -0.164 4.162 4.340 -0.023 0.000 0.208 131 L C 2.418 179.639 176.870 0.586 0.000 1.077 131 L CA 0.691 55.779 54.840 0.414 0.000 0.747 131 L CB -0.254 42.053 42.059 0.414 0.000 0.896 131 L HN 0.104 nan 8.230 nan 0.000 0.432 132 L N 0.117 121.636 121.223 0.493 0.000 2.012 132 L HA -0.248 4.078 4.340 -0.023 0.000 0.210 132 L C 2.660 179.605 176.870 0.125 0.000 1.073 132 L CA 1.775 56.783 54.840 0.279 0.000 0.748 132 L CB -0.597 41.580 42.059 0.196 0.000 0.891 132 L HN 0.092 nan 8.230 nan 0.000 0.431 133 R N -1.633 118.963 120.500 0.160 0.000 2.083 133 R HA -0.235 4.092 4.340 -0.023 0.000 0.237 133 R C 2.292 178.687 176.300 0.159 0.000 1.137 133 R CA 2.001 58.175 56.100 0.124 0.000 0.951 133 R CB -0.598 29.776 30.300 0.123 0.000 0.851 133 R HN 0.471 nan 8.270 nan 0.000 0.434 134 F N -0.013 119.971 119.950 0.057 0.000 2.069 134 F HA -0.257 4.257 4.527 -0.021 0.000 0.298 134 F C 1.477 177.298 175.800 0.035 0.000 1.113 134 F CA 1.574 59.566 58.000 -0.012 0.000 1.214 134 F CB -0.582 38.331 39.000 -0.144 0.000 0.978 134 F HN 0.021 nan 8.300 nan 0.000 0.474 135 Y N 0.425 120.672 120.300 -0.089 0.000 2.263 135 Y HA -0.136 4.400 4.550 -0.023 0.000 0.292 135 Y C 2.645 178.658 175.900 0.188 0.000 1.130 135 Y CA 1.399 59.458 58.100 -0.068 0.000 1.179 135 Y CB -0.863 37.541 38.460 -0.092 0.000 0.998 135 Y HN 0.119 nan 8.280 nan 0.000 0.532 136 Q N 0.225 120.106 119.800 0.135 0.000 2.084 136 Q HA -0.193 4.133 4.340 -0.023 0.000 0.202 136 Q C 1.368 177.473 176.000 0.175 0.000 0.978 136 Q CA 1.663 57.539 55.803 0.122 0.000 0.844 136 Q CB -0.546 28.184 28.738 -0.014 0.000 0.898 136 Q HN 0.668 nan 8.270 nan 0.000 0.426 137 N N -0.879 117.891 118.700 0.117 0.000 2.422 137 N HA -0.053 4.673 4.740 -0.023 0.000 0.181 137 N C -0.034 175.504 175.510 0.046 0.000 1.080 137 N CA -0.399 52.691 53.050 0.066 0.000 0.893 137 N CB 0.098 38.622 38.487 0.061 0.000 0.973 137 N HN 0.173 nan 8.380 nan 0.000 0.456 138 W N 3.187 124.418 121.300 -0.115 0.000 2.322 138 W HA 0.037 4.683 4.660 -0.023 0.000 0.328 138 W C -0.599 175.831 176.519 -0.148 0.000 1.395 138 W CA -0.051 57.188 57.345 -0.178 0.000 1.267 138 W CB 0.477 29.772 29.460 -0.275 0.000 1.259 138 W HN -0.050 nan 8.180 nan 0.000 0.560 139 Q N 8.767 127.973 119.800 -0.990 0.000 2.333 139 Q HA 0.314 4.640 4.340 -0.023 0.000 0.265 139 Q C -2.058 173.108 176.000 -1.390 0.000 0.989 139 Q CA -2.114 53.059 55.803 -1.050 0.000 0.842 139 Q CB 1.258 29.678 28.738 -0.529 0.000 1.262 139 Q HN 0.392 nan 8.270 nan 0.000 0.451 140 P HA 0.093 nan 4.420 nan 0.000 0.271 140 P C -0.129 176.775 177.300 -0.660 0.000 1.216 140 P CA 0.034 62.526 63.100 -1.014 0.000 0.776 140 P CB 0.998 32.229 31.700 -0.782 0.000 0.881 141 A N 3.110 125.494 122.820 -0.726 0.000 2.016 141 A HA 0.066 4.372 4.320 -0.023 0.000 0.217 141 A C 0.393 177.401 177.584 -0.960 0.000 1.162 141 A CA 0.716 52.120 52.037 -1.055 0.000 0.662 141 A CB -0.245 17.634 19.000 -1.869 0.000 0.812 141 A HN 0.581 nan 8.150 nan 0.000 0.450 142 W N -2.387 118.859 121.300 -0.090 0.000 3.031 142 W HA 0.662 5.308 4.660 -0.024 0.000 0.337 142 W C 0.024 176.482 176.519 -0.101 0.000 1.187 142 W CA -1.387 55.910 57.345 -0.079 0.000 1.166 142 W CB 1.013 30.440 29.460 -0.055 0.000 1.437 142 W HN 0.160 nan 8.180 nan 0.000 0.551 143 A N 2.938 125.842 122.820 0.141 0.000 2.425 143 A HA 0.494 4.800 4.320 -0.023 0.000 0.242 143 A C -2.165 175.420 177.584 0.002 0.000 1.077 143 A CA -0.781 51.277 52.037 0.034 0.000 0.781 143 A CB -0.757 18.264 19.000 0.034 0.000 1.020 143 A HN 0.168 nan 8.150 nan 0.000 0.494 144 P HA 0.268 nan 4.420 nan 0.000 0.268 144 P C 0.779 177.929 177.300 -0.251 0.000 1.205 144 P CA 1.622 64.534 63.100 -0.314 0.000 0.771 144 P CB 0.482 31.898 31.700 -0.474 0.000 0.858 145 G N 1.773 110.382 108.800 -0.317 0.000 2.221 145 G HA2 -0.261 3.686 3.960 -0.023 0.000 0.265 145 G HA3 -0.261 3.686 3.960 -0.023 0.000 0.265 145 G C 0.624 175.473 174.900 -0.086 0.000 1.041 145 G CA 0.721 45.773 45.100 -0.081 0.000 0.807 145 G HN 0.727 nan 8.290 nan 0.000 0.502 146 T N -5.254 109.205 114.554 -0.159 0.000 2.989 146 T HA 0.421 4.757 4.350 -0.023 0.000 0.250 146 T C 0.586 175.137 174.700 -0.249 0.000 0.981 146 T CA 0.718 62.748 62.100 -0.117 0.000 0.980 146 T CB 0.646 69.493 68.868 -0.035 0.000 1.133 146 T HN 0.296 nan 8.240 nan 0.000 0.489 147 Q N 0.882 120.483 119.800 -0.333 0.000 2.372 147 Q HA 0.478 4.804 4.340 -0.023 0.000 0.273 147 Q C -1.396 174.389 176.000 -0.358 0.000 1.078 147 Q CA -0.540 54.969 55.803 -0.490 0.000 0.806 147 Q CB 3.381 31.482 28.738 -1.062 0.000 1.332 147 Q HN 0.335 nan 8.270 nan 0.000 0.435 148 R N 2.203 122.525 120.500 -0.297 0.000 2.294 148 R HA 0.529 4.855 4.340 -0.023 0.000 0.319 148 R C -1.282 174.984 176.300 -0.057 0.000 0.984 148 R CA -0.563 55.456 56.100 -0.136 0.000 0.861 148 R CB 0.593 30.849 30.300 -0.072 0.000 1.104 148 R HN 0.415 nan 8.270 nan 0.000 0.451 149 L N 5.845 127.108 121.223 0.066 0.000 2.457 149 L HA 0.253 4.579 4.340 -0.023 0.000 0.266 149 L C -1.455 175.454 176.870 0.064 0.000 0.979 149 L CA -0.680 54.223 54.840 0.105 0.000 0.857 149 L CB 1.002 43.202 42.059 0.237 0.000 1.213 149 L HN 0.611 nan 8.230 nan 0.000 0.418 150 Y N 4.637 124.814 120.300 -0.205 0.000 2.895 150 Y HA 0.343 4.879 4.550 -0.024 0.000 0.334 150 Y C 0.115 175.833 175.900 -0.304 0.000 1.261 150 Y CA 1.083 58.833 58.100 -0.583 0.000 1.560 150 Y CB 0.457 38.643 38.460 -0.457 0.000 1.253 150 Y HN 0.822 nan 8.280 nan 0.000 0.582 151 A N 5.714 128.121 122.820 -0.688 0.000 2.500 151 A HA 0.278 4.584 4.320 -0.023 0.000 0.291 151 A C -0.071 177.426 177.584 -0.145 0.000 1.048 151 A CA -0.883 51.034 52.037 -0.201 0.000 0.791 151 A CB 0.671 19.682 19.000 0.019 0.000 1.309 151 A HN 0.787 nan 8.150 nan 0.000 0.397 152 N N 1.221 119.891 118.700 -0.050 0.000 2.223 152 N HA -0.152 4.574 4.740 -0.023 0.000 0.185 152 N C 2.057 177.646 175.510 0.132 0.000 1.016 152 N CA 1.906 55.000 53.050 0.072 0.000 0.863 152 N CB -0.086 38.511 38.487 0.184 0.000 0.983 152 N HN 0.853 nan 8.380 nan 0.000 0.429 153 S N -0.923 114.873 115.700 0.160 0.000 2.447 153 S HA 0.010 4.466 4.470 -0.023 0.000 0.233 153 S C 2.057 176.848 174.600 0.318 0.000 1.006 153 S CA 1.044 59.416 58.200 0.287 0.000 0.957 153 S CB -0.093 63.305 63.200 0.329 0.000 0.773 153 S HN 0.197 nan 8.310 nan 0.000 0.507 154 S N 1.199 117.020 115.700 0.202 0.000 2.315 154 S HA 0.236 4.692 4.470 -0.023 0.000 0.211 154 S C 1.663 176.358 174.600 0.157 0.000 1.029 154 S CA 0.564 58.871 58.200 0.178 0.000 0.956 154 S CB -0.624 62.688 63.200 0.185 0.000 0.918 154 S HN 0.566 nan 8.310 nan 0.000 0.470 155 I N 1.294 121.954 120.570 0.151 0.000 2.454 155 I HA -0.046 4.110 4.170 -0.023 0.000 0.254 155 I C 2.095 178.290 176.117 0.130 0.000 1.156 155 I CA 1.142 62.518 61.300 0.127 0.000 1.433 155 I CB -0.621 37.440 38.000 0.102 0.000 1.082 155 I HN 0.488 nan 8.210 nan 0.000 0.432 156 G N 1.015 109.863 108.800 0.081 0.000 2.446 156 G HA2 -0.305 3.641 3.960 -0.023 0.000 0.217 156 G HA3 -0.305 3.641 3.960 -0.023 0.000 0.217 156 G C 1.521 176.381 174.900 -0.067 0.000 1.168 156 G CA 0.900 45.984 45.100 -0.027 0.000 0.771 156 G HN 0.375 nan 8.290 nan 0.000 0.551 157 L N -0.182 121.052 121.223 0.019 0.000 2.056 157 L HA 0.109 4.435 4.340 -0.023 0.000 0.207 157 L C 2.456 179.278 176.870 -0.080 0.000 1.078 157 L CA 1.597 56.381 54.840 -0.093 0.000 0.749 157 L CB -0.878 41.066 42.059 -0.192 0.000 0.901 157 L HN 0.229 nan 8.230 nan 0.000 0.433 158 F N 0.541 120.430 119.950 -0.101 0.000 2.087 158 F HA -0.213 4.300 4.527 -0.024 0.000 0.299 158 F C 2.173 177.908 175.800 -0.108 0.000 1.100 158 F CA 2.052 59.996 58.000 -0.094 0.000 1.226 158 F CB -1.085 37.871 39.000 -0.072 0.000 0.983 158 F HN 0.144 nan 8.300 nan 0.000 0.479 159 G N -0.529 108.139 108.800 -0.220 0.000 2.421 159 G HA2 -0.218 3.728 3.960 -0.023 0.000 0.216 159 G HA3 -0.218 3.728 3.960 -0.023 0.000 0.216 159 G C 1.834 176.567 174.900 -0.278 0.000 1.171 159 G CA 1.067 45.998 45.100 -0.283 0.000 0.775 159 G HN 0.689 nan 8.290 nan 0.000 0.543 160 A N 0.504 123.116 122.820 -0.346 0.000 1.908 160 A HA 0.069 4.375 4.320 -0.023 0.000 0.218 160 A C 2.454 179.867 177.584 -0.284 0.000 1.181 160 A CA 1.414 53.276 52.037 -0.293 0.000 0.627 160 A CB -0.398 18.402 19.000 -0.334 0.000 0.818 160 A HN 0.362 nan 8.150 nan 0.000 0.445 161 L N -1.081 119.939 121.223 -0.338 0.000 2.109 161 L HA -0.092 4.234 4.340 -0.023 0.000 0.207 161 L C 3.059 179.641 176.870 -0.481 0.000 1.086 161 L CA 0.822 55.453 54.840 -0.347 0.000 0.760 161 L CB -0.630 41.272 42.059 -0.261 0.000 0.910 161 L HN 0.423 nan 8.230 nan 0.000 0.437 162 A N 0.410 122.874 122.820 -0.594 0.000 1.978 162 A HA -0.172 4.134 4.320 -0.023 0.000 0.220 162 A C 2.144 179.504 177.584 -0.373 0.000 1.170 162 A CA 2.036 53.706 52.037 -0.611 0.000 0.636 162 A CB -0.788 17.707 19.000 -0.842 0.000 0.810 162 A HN 0.368 nan 8.150 nan 0.000 0.448 163 V N -3.582 116.176 119.914 -0.259 0.000 3.649 163 V HA 0.089 4.195 4.120 -0.023 0.000 0.275 163 V C 1.674 177.682 176.094 -0.142 0.000 1.281 163 V CA 1.169 63.365 62.300 -0.174 0.000 1.143 163 V CB -0.479 31.273 31.823 -0.118 0.000 0.892 163 V HN 0.413 nan 8.190 nan 0.000 0.441 164 K N 1.266 121.571 120.400 -0.157 0.000 2.032 164 K HA -0.074 4.232 4.320 -0.023 0.000 0.209 164 K C 0.013 176.592 176.600 -0.034 0.000 1.048 164 K CA 2.181 58.416 56.287 -0.086 0.000 0.927 164 K CB -1.366 31.104 32.500 -0.050 0.000 0.712 164 K HN 0.476 nan 8.250 nan 0.000 0.441 165 P HA -0.161 nan 4.420 nan 0.000 0.218 165 P C 1.367 178.657 177.300 -0.016 0.000 1.148 165 P CA 1.508 64.621 63.100 0.022 0.000 0.822 165 P CB -0.024 31.705 31.700 0.050 0.000 0.784 166 S N -1.323 114.347 115.700 -0.049 0.000 2.419 166 S HA -0.009 4.447 4.470 -0.023 0.000 0.233 166 S C 1.944 176.514 174.600 -0.050 0.000 1.016 166 S CA 1.226 59.392 58.200 -0.055 0.000 0.974 166 S CB -1.617 61.533 63.200 -0.083 0.000 0.786 166 S HN 0.309 nan 8.310 nan 0.000 0.492 167 G N 0.644 109.415 108.800 -0.049 0.000 2.184 167 G HA2 -0.245 3.701 3.960 -0.023 0.000 0.264 167 G HA3 -0.245 3.701 3.960 -0.023 0.000 0.264 167 G C 0.007 174.873 174.900 -0.056 0.000 0.975 167 G CA 0.484 45.557 45.100 -0.045 0.000 0.642 167 G HN 0.586 nan 8.290 nan 0.000 0.536 168 L N 1.803 122.983 121.223 -0.072 0.000 2.395 168 L HA 0.532 4.858 4.340 -0.023 0.000 0.269 168 L C 1.558 178.379 176.870 -0.081 0.000 1.133 168 L CA -0.141 54.649 54.840 -0.083 0.000 0.812 168 L CB 1.260 43.253 42.059 -0.110 0.000 1.125 168 L HN 0.424 nan 8.230 nan 0.000 0.452 169 S N 1.028 116.686 115.700 -0.070 0.000 2.576 169 S HA -0.025 4.431 4.470 -0.023 0.000 0.272 169 S C 0.933 175.502 174.600 -0.053 0.000 1.352 169 S CA -0.326 57.846 58.200 -0.047 0.000 1.021 169 S CB 0.374 63.553 63.200 -0.036 0.000 0.887 169 S HN 0.548 nan 8.310 nan 0.000 0.542 170 F N 1.466 121.325 119.950 -0.151 0.000 2.091 170 F HA -0.152 4.361 4.527 -0.024 0.000 0.299 170 F C 2.506 178.198 175.800 -0.180 0.000 1.103 170 F CA 2.394 60.290 58.000 -0.173 0.000 1.228 170 F CB -0.480 38.416 39.000 -0.173 0.000 0.984 170 F HN 0.953 nan 8.300 nan 0.000 0.477 171 E N -0.570 119.590 120.200 -0.066 0.000 2.058 171 E HA -0.263 4.073 4.350 -0.023 0.000 0.194 171 E C 2.255 178.714 176.600 -0.235 0.000 0.997 171 E CA 1.379 57.689 56.400 -0.150 0.000 0.801 171 E CB -0.194 29.494 29.700 -0.021 0.000 0.746 171 E HN 0.464 nan 8.360 nan 0.000 0.450 172 Q N -0.122 119.574 119.800 -0.173 0.000 2.079 172 Q HA -0.139 4.187 4.340 -0.023 0.000 0.200 172 Q C 2.165 178.022 176.000 -0.239 0.000 0.974 172 Q CA 1.282 56.986 55.803 -0.165 0.000 0.840 172 Q CB -0.283 28.389 28.738 -0.110 0.000 0.898 172 Q HN 0.372 nan 8.270 nan 0.000 0.430 173 A N 0.840 123.487 122.820 -0.288 0.000 1.865 173 A HA -0.251 4.055 4.320 -0.023 0.000 0.217 173 A C 2.128 179.438 177.584 -0.458 0.000 1.191 173 A CA 2.055 53.890 52.037 -0.336 0.000 0.623 173 A CB -0.567 18.221 19.000 -0.353 0.000 0.826 173 A HN 0.359 nan 8.150 nan 0.000 0.444 174 M N -0.790 118.402 119.600 -0.681 0.000 2.086 174 M HA -0.161 4.305 4.480 -0.023 0.000 0.261 174 M C 2.139 177.877 176.300 -0.937 0.000 1.067 174 M CA 1.782 56.539 55.300 -0.904 0.000 1.116 174 M CB -0.497 31.405 32.600 -1.163 0.000 1.348 174 M HN 0.413 nan 8.290 nan 0.000 0.407 175 Q N -1.090 118.316 119.800 -0.656 0.000 2.020 175 Q HA -0.182 4.144 4.340 -0.023 0.000 0.202 175 Q C 2.275 178.136 176.000 -0.232 0.000 0.982 175 Q CA 2.287 57.876 55.803 -0.358 0.000 0.838 175 Q CB -1.062 27.595 28.738 -0.136 0.000 0.899 175 Q HN 0.653 nan 8.270 nan 0.000 0.423 176 T N -0.016 114.409 114.554 -0.214 0.000 2.904 176 T HA -0.055 4.281 4.350 -0.023 0.000 0.267 176 T C 1.628 176.249 174.700 -0.132 0.000 1.059 176 T CA 0.900 62.916 62.100 -0.141 0.000 1.137 176 T CB 0.182 68.976 68.868 -0.122 0.000 0.879 176 T HN 0.210 nan 8.240 nan 0.000 0.467 177 R N -0.603 119.788 120.500 -0.181 0.000 2.307 177 R HA 0.305 4.631 4.340 -0.023 0.000 0.200 177 R C 1.734 177.977 176.300 -0.095 0.000 0.893 177 R CA 0.267 56.288 56.100 -0.131 0.000 1.042 177 R CB 0.593 30.804 30.300 -0.148 0.000 1.059 177 R HN 0.289 nan 8.270 nan 0.000 0.530 178 V N -0.824 118.998 119.914 -0.153 0.000 3.054 178 V HA 0.037 4.143 4.120 -0.023 0.000 0.227 178 V C 1.399 177.551 176.094 0.097 0.000 1.252 178 V CA 0.536 62.821 62.300 -0.025 0.000 1.279 178 V CB -0.284 31.492 31.823 -0.079 0.000 1.118 178 V HN -0.024 nan 8.190 nan 0.000 0.504 179 F N 1.409 121.286 119.950 -0.122 0.000 2.113 179 F HA -0.099 4.414 4.527 -0.023 0.000 0.297 179 F C 2.601 178.317 175.800 -0.140 0.000 1.103 179 F CA 1.373 59.265 58.000 -0.181 0.000 1.248 179 F CB -1.155 37.644 39.000 -0.335 0.000 0.999 179 F HN 0.180 nan 8.300 nan 0.000 0.475 180 Q N -0.185 119.649 119.800 0.057 0.000 2.016 180 Q HA -0.139 4.187 4.340 -0.023 0.000 0.200 180 Q C -0.296 175.708 176.000 0.007 0.000 0.978 180 Q CA 1.726 57.526 55.803 -0.004 0.000 0.833 180 Q CB -1.466 27.252 28.738 -0.033 0.000 0.895 180 Q HN 0.259 nan 8.270 nan 0.000 0.427 181 P HA -0.156 nan 4.420 nan 0.000 0.218 181 P C 0.703 178.031 177.300 0.046 0.000 1.148 181 P CA 1.248 64.362 63.100 0.024 0.000 0.822 181 P CB 0.018 31.733 31.700 0.025 0.000 0.784 182 L N -1.429 119.847 121.223 0.088 0.000 2.591 182 L HA 0.147 4.473 4.340 -0.023 0.000 0.228 182 L C 0.447 177.363 176.870 0.076 0.000 1.133 182 L CA 0.130 55.038 54.840 0.113 0.000 0.880 182 L CB -0.687 41.508 42.059 0.228 0.000 1.033 182 L HN -0.038 nan 8.230 nan 0.000 0.450 183 K N 0.682 121.102 120.400 0.032 0.000 3.071 183 K HA -0.170 4.136 4.320 -0.023 0.000 0.265 183 K C -0.215 176.363 176.600 -0.036 0.000 1.060 183 K CA 0.364 56.645 56.287 -0.010 0.000 0.767 183 K CB -1.784 30.717 32.500 0.001 0.000 1.241 183 K HN 0.326 nan 8.250 nan 0.000 0.486 184 L N 1.351 122.536 121.223 -0.063 0.000 2.399 184 L HA 0.113 4.439 4.340 -0.023 0.000 0.257 184 L C 0.989 177.617 176.870 -0.403 0.000 1.236 184 L CA -0.392 54.334 54.840 -0.191 0.000 1.144 184 L CB -0.008 41.921 42.059 -0.216 0.000 1.379 184 L HN 0.176 nan 8.230 nan 0.000 0.414 185 N N 0.014 118.502 118.700 -0.353 0.000 2.398 185 N HA -0.012 4.715 4.740 -0.023 0.000 0.188 185 N C 0.290 175.229 175.510 -0.953 0.000 1.122 185 N CA 0.506 53.218 53.050 -0.563 0.000 0.866 185 N CB 0.218 38.458 38.487 -0.411 0.000 0.970 185 N HN 0.568 nan 8.380 nan 0.000 0.462 186 H N -1.340 117.458 119.070 -0.454 0.000 2.676 186 H HA 0.320 4.862 4.556 -0.024 0.000 0.238 186 H C -0.647 174.275 175.328 -0.676 0.000 1.276 186 H CA -0.180 55.658 56.048 -0.350 0.000 0.983 186 H CB 0.450 30.182 29.762 -0.050 0.000 2.000 186 H HN -0.189 nan 8.280 nan 0.000 0.584 187 T N 0.410 114.191 114.554 -1.288 0.000 2.848 187 T HA 0.372 4.709 4.350 -0.023 0.000 0.285 187 T C -1.074 172.588 174.700 -1.730 0.000 0.995 187 T CA -0.641 60.661 62.100 -1.330 0.000 0.970 187 T CB 1.185 69.182 68.868 -1.452 0.000 0.976 187 T HN 0.280 nan 8.240 nan 0.000 0.441 188 W N 1.772 122.727 121.300 -0.576 0.000 3.127 188 W HA 0.567 5.214 4.660 -0.022 0.000 0.330 188 W C 0.548 176.934 176.519 -0.222 0.000 1.187 188 W CA -0.843 56.309 57.345 -0.322 0.000 1.198 188 W CB 1.047 30.328 29.460 -0.297 0.000 1.408 188 W HN 0.491 nan 8.180 nan 0.000 0.529 189 I N 1.579 122.248 120.570 0.165 0.000 2.585 189 I HA -0.042 4.114 4.170 -0.023 0.000 0.254 189 I C 0.302 176.432 176.117 0.022 0.000 1.129 189 I CA 0.903 62.247 61.300 0.073 0.000 1.455 189 I CB 0.005 38.060 38.000 0.091 0.000 1.111 189 I HN 0.299 nan 8.210 nan 0.000 0.433 190 N N 0.892 119.620 118.700 0.046 0.000 2.442 190 N HA 0.254 4.980 4.740 -0.023 0.000 0.274 190 N C -0.907 174.499 175.510 -0.174 0.000 1.002 190 N CA -0.297 52.717 53.050 -0.061 0.000 0.910 190 N CB 2.736 41.193 38.487 -0.049 0.000 1.244 190 N HN -0.231 nan 8.380 nan 0.000 0.492 191 V N 4.336 124.046 119.914 -0.339 0.000 2.485 191 V HA 0.127 4.233 4.120 -0.023 0.000 0.287 191 V C -1.628 174.123 176.094 -0.570 0.000 1.022 191 V CA -0.799 61.134 62.300 -0.611 0.000 1.067 191 V CB 0.169 31.554 31.823 -0.731 0.000 0.967 191 V HN 0.515 nan 8.190 nan 0.000 0.479 192 P HA 0.300 nan 4.420 nan 0.000 0.276 192 P C -2.288 174.778 177.300 -0.391 0.000 1.244 192 P CA -2.056 60.705 63.100 -0.566 0.000 0.801 192 P CB 0.394 31.657 31.700 -0.728 0.000 1.006 193 P HA -0.213 nan 4.420 nan 0.000 0.216 193 P C 1.371 178.582 177.300 -0.149 0.000 1.150 193 P CA 2.181 65.187 63.100 -0.157 0.000 0.843 193 P CB -0.456 31.179 31.700 -0.108 0.000 0.787 194 A N -0.299 122.415 122.820 -0.177 0.000 2.024 194 A HA -0.196 4.110 4.320 -0.023 0.000 0.220 194 A C 2.026 179.539 177.584 -0.119 0.000 1.164 194 A CA 1.516 53.477 52.037 -0.127 0.000 0.643 194 A CB -0.762 18.167 19.000 -0.118 0.000 0.806 194 A HN 0.124 nan 8.150 nan 0.000 0.451 195 E N -0.657 119.416 120.200 -0.212 0.000 2.472 195 E HA 0.004 4.341 4.350 -0.023 0.000 0.196 195 E C 1.412 177.940 176.600 -0.121 0.000 1.033 195 E CA 0.082 56.377 56.400 -0.174 0.000 0.886 195 E CB 0.006 29.483 29.700 -0.373 0.000 0.944 195 E HN 0.740 nan 8.360 nan 0.000 0.492 196 E N 1.299 121.434 120.200 -0.109 0.000 2.118 196 E HA -0.217 4.120 4.350 -0.023 0.000 0.195 196 E C 1.936 178.543 176.600 0.012 0.000 0.992 196 E CA 1.338 57.717 56.400 -0.036 0.000 0.804 196 E CB -0.098 29.583 29.700 -0.031 0.000 0.741 196 E HN 0.239 nan 8.360 nan 0.000 0.458 197 K N 0.511 120.915 120.400 0.006 0.000 2.281 197 K HA -0.121 4.185 4.320 -0.023 0.000 0.203 197 K C 1.375 177.994 176.600 0.032 0.000 1.046 197 K CA 1.436 57.739 56.287 0.026 0.000 0.938 197 K CB -0.015 32.497 32.500 0.020 0.000 0.737 197 K HN -0.028 nan 8.250 nan 0.000 0.458 198 N N -0.345 118.369 118.700 0.023 0.000 2.299 198 N HA -0.052 4.674 4.740 -0.023 0.000 0.187 198 N C -0.725 174.816 175.510 0.053 0.000 1.099 198 N CA 0.115 53.180 53.050 0.025 0.000 0.867 198 N CB 0.146 38.638 38.487 0.009 0.000 0.974 198 N HN 0.194 nan 8.380 nan 0.000 0.477 199 Y N 2.853 123.076 120.300 -0.128 0.000 2.539 199 Y HA 0.434 4.972 4.550 -0.019 0.000 0.352 199 Y C 0.167 175.973 175.900 -0.156 0.000 1.004 199 Y CA -1.845 56.142 58.100 -0.187 0.000 1.278 199 Y CB -0.516 37.770 38.460 -0.289 0.000 1.136 199 Y HN -0.042 nan 8.280 nan 0.000 0.528 200 A N 6.068 128.919 122.820 0.053 0.000 2.520 200 A HA 0.083 4.390 4.320 -0.023 0.000 0.235 200 A C -0.486 177.085 177.584 -0.022 0.000 1.065 200 A CA -0.304 51.745 52.037 0.020 0.000 0.764 200 A CB 0.056 19.033 19.000 -0.037 0.000 1.002 200 A HN 0.882 nan 8.150 nan 0.000 0.502 201 W N 0.854 122.147 121.300 -0.011 0.000 2.218 201 W HA 0.458 5.115 4.660 -0.005 0.000 0.326 201 W C 0.988 177.219 176.519 -0.480 0.000 1.276 201 W CA 0.540 57.678 57.345 -0.345 0.000 1.210 201 W CB 0.938 30.040 29.460 -0.598 0.000 1.143 201 W HN 0.932 nan 8.180 nan 0.000 0.563 202 G N 1.748 110.368 108.800 -0.301 0.000 2.476 202 G HA2 0.428 4.374 3.960 -0.023 0.000 0.269 202 G HA3 0.428 4.374 3.960 -0.023 0.000 0.269 202 G C -2.030 172.511 174.900 -0.598 0.000 1.195 202 G CA -0.458 44.185 45.100 -0.761 0.000 0.843 202 G HN 0.440 nan 8.290 nan 0.000 0.545 203 Y N -0.030 120.175 120.300 -0.159 0.000 2.338 203 Y HA 0.529 5.064 4.550 -0.026 0.000 0.333 203 Y C 0.486 176.371 175.900 -0.025 0.000 0.968 203 Y CA -0.774 57.289 58.100 -0.061 0.000 1.123 203 Y CB 2.205 40.636 38.460 -0.047 0.000 1.165 203 Y HN 0.501 nan 8.280 nan 0.000 0.452 204 R N 2.416 122.971 120.500 0.091 0.000 2.476 204 R HA 0.326 4.652 4.340 -0.023 0.000 0.305 204 R C -0.608 175.730 176.300 0.063 0.000 0.965 204 R CA -0.461 55.683 56.100 0.074 0.000 0.867 204 R CB 0.743 31.074 30.300 0.052 0.000 1.176 204 R HN 0.879 nan 8.270 nan 0.000 0.447 205 E N 2.656 122.892 120.200 0.060 0.000 2.328 205 E HA -0.271 4.065 4.350 -0.023 0.000 0.233 205 E C 0.608 177.233 176.600 0.042 0.000 1.219 205 E CA 0.881 57.306 56.400 0.041 0.000 0.717 205 E CB -1.062 28.654 29.700 0.026 0.000 1.210 205 E HN 1.166 nan 8.360 nan 0.000 0.381 206 G N 0.049 108.892 108.800 0.071 0.000 2.184 206 G HA2 -0.421 3.525 3.960 -0.023 0.000 0.264 206 G HA3 -0.421 3.525 3.960 -0.023 0.000 0.264 206 G C 0.290 175.262 174.900 0.121 0.000 0.975 206 G CA 0.846 45.994 45.100 0.080 0.000 0.642 206 G HN 0.350 nan 8.290 nan 0.000 0.536 207 K N 0.858 121.304 120.400 0.077 0.000 2.156 207 K HA 0.705 5.011 4.320 -0.023 0.000 0.271 207 K C 0.604 177.135 176.600 -0.114 0.000 0.995 207 K CA -0.089 56.189 56.287 -0.015 0.000 0.890 207 K CB 0.929 33.402 32.500 -0.045 0.000 1.073 207 K HN 0.485 nan 8.250 nan 0.000 0.454 208 A N 3.285 125.909 122.820 -0.325 0.000 2.409 208 A HA 0.392 4.699 4.320 -0.023 0.000 0.267 208 A C -0.455 176.881 177.584 -0.415 0.000 1.127 208 A CA -0.422 51.200 52.037 -0.691 0.000 0.795 208 A CB -0.051 18.275 19.000 -1.122 0.000 1.061 208 A HN 0.562 nan 8.150 nan 0.000 0.502 209 V N 1.025 120.848 119.914 -0.151 0.000 2.971 209 V HA 0.709 4.815 4.120 -0.023 0.000 0.309 209 V C -0.761 175.466 176.094 0.221 0.000 1.130 209 V CA -0.790 61.551 62.300 0.069 0.000 0.964 209 V CB 1.217 33.068 31.823 0.047 0.000 1.029 209 V HN 0.975 nan 8.190 nan 0.000 0.427 210 H N 0.759 120.000 119.070 0.284 0.000 2.731 210 H HA 0.696 5.240 4.556 -0.019 0.000 0.368 210 H C -0.531 174.912 175.328 0.192 0.000 1.168 210 H CA -0.977 55.180 56.048 0.181 0.000 1.181 210 H CB 2.312 32.059 29.762 -0.025 0.000 1.743 210 H HN 0.805 nan 8.280 nan 0.000 0.547 211 V N 2.090 122.209 119.914 0.341 0.000 2.673 211 V HA -0.006 4.100 4.120 -0.023 0.000 0.303 211 V C -0.198 176.024 176.094 0.213 0.000 1.046 211 V CA 0.386 62.835 62.300 0.250 0.000 1.126 211 V CB 0.771 32.740 31.823 0.242 0.000 0.934 211 V HN 0.730 nan 8.190 nan 0.000 0.487 212 S N 7.311 123.119 115.700 0.180 0.000 2.586 212 S HA 0.480 4.936 4.470 -0.023 0.000 0.274 212 S C -2.271 172.421 174.600 0.154 0.000 1.281 212 S CA -0.679 57.609 58.200 0.147 0.000 1.035 212 S CB 1.133 64.401 63.200 0.113 0.000 0.962 212 S HN 0.832 nan 8.310 nan 0.000 0.512 213 P HA 0.416 nan 4.420 nan 0.000 0.266 213 P C -0.163 177.195 177.300 0.096 0.000 1.195 213 P CA -0.016 63.136 63.100 0.085 0.000 0.768 213 P CB 0.390 32.121 31.700 0.051 0.000 0.838 214 G N 0.217 109.069 108.800 0.086 0.000 2.673 214 G HA2 0.553 4.499 3.960 -0.023 0.000 0.292 214 G HA3 0.553 4.499 3.960 -0.023 0.000 0.292 214 G C -1.343 173.567 174.900 0.018 0.000 1.450 214 G CA -0.478 44.673 45.100 0.085 0.000 0.837 214 G HN 0.544 nan 8.290 nan 0.000 0.505 215 A N 0.480 123.301 122.820 0.001 0.000 2.540 215 A HA 0.513 4.819 4.320 -0.023 0.000 0.239 215 A C 1.412 178.962 177.584 -0.056 0.000 1.061 215 A CA 0.536 52.555 52.037 -0.029 0.000 0.758 215 A CB -0.423 18.563 19.000 -0.024 0.000 0.991 215 A HN 1.764 nan 8.150 nan 0.000 0.502 216 L N 0.491 121.647 121.223 -0.112 0.000 3.839 216 L HA -0.318 4.008 4.340 -0.023 0.000 0.416 216 L C 1.095 177.763 176.870 -0.336 0.000 1.195 216 L CA 0.622 55.345 54.840 -0.194 0.000 0.946 216 L CB -1.834 40.172 42.059 -0.089 0.000 1.891 216 L HN 1.024 nan 8.230 nan 0.000 0.963 217 D N 0.195 120.350 120.400 -0.409 0.000 2.091 217 D HA -0.116 4.510 4.640 -0.023 0.000 0.199 217 D C 1.988 177.869 176.300 -0.698 0.000 0.980 217 D CA 1.295 54.784 54.000 -0.851 0.000 0.831 217 D CB -0.163 40.314 40.800 -0.538 0.000 0.987 217 D HN 0.379 nan 8.370 nan 0.000 0.460 218 A N 0.954 123.544 122.820 -0.383 0.000 1.903 218 A HA -0.291 4.015 4.320 -0.023 0.000 0.219 218 A C 2.140 179.561 177.584 -0.271 0.000 1.191 218 A CA 2.372 54.279 52.037 -0.217 0.000 0.638 218 A CB -0.861 18.106 19.000 -0.055 0.000 0.823 218 A HN 0.266 nan 8.150 nan 0.000 0.451 219 E N -0.817 119.023 120.200 -0.600 0.000 2.208 219 E HA 0.148 4.484 4.350 -0.023 0.000 0.193 219 E C 1.927 178.383 176.600 -0.240 0.000 0.988 219 E CA 1.236 57.199 56.400 -0.728 0.000 0.828 219 E CB -0.189 28.992 29.700 -0.865 0.000 0.763 219 E HN 0.625 nan 8.360 nan 0.000 0.478 220 A N -0.630 122.054 122.820 -0.227 0.000 2.070 220 A HA 0.133 4.439 4.320 -0.023 0.000 0.202 220 A C 0.752 178.415 177.584 0.132 0.000 1.277 220 A CA 0.429 52.457 52.037 -0.016 0.000 0.872 220 A CB 0.112 19.152 19.000 0.067 0.000 0.933 220 A HN 0.376 nan 8.150 nan 0.000 0.475 221 Y N -4.118 116.210 120.300 0.046 0.000 3.022 221 Y HA 0.473 5.009 4.550 -0.024 0.000 0.275 221 Y C 0.821 176.750 175.900 0.048 0.000 1.071 221 Y CA -0.393 57.748 58.100 0.069 0.000 1.276 221 Y CB -0.377 38.130 38.460 0.079 0.000 1.325 221 Y HN 0.005 nan 8.280 nan 0.000 0.594 222 G N 0.723 109.483 108.800 -0.066 0.000 3.233 222 G HA2 0.382 4.328 3.960 -0.023 0.000 0.234 222 G HA3 0.382 4.328 3.960 -0.023 0.000 0.234 222 G C -0.327 174.556 174.900 -0.028 0.000 1.137 222 G CA 0.046 45.111 45.100 -0.058 0.000 0.763 222 G HN 0.105 nan 8.290 nan 0.000 0.549 223 V N 0.693 120.593 119.914 -0.022 0.000 2.546 223 V HA 0.423 4.529 4.120 -0.023 0.000 0.284 223 V C -0.307 175.710 176.094 -0.129 0.000 1.050 223 V CA -0.471 61.763 62.300 -0.108 0.000 0.981 223 V CB 1.444 33.131 31.823 -0.226 0.000 0.990 223 V HN 0.138 nan 8.190 nan 0.000 0.474 224 K N 2.450 122.738 120.400 -0.188 0.000 2.259 224 K HA 0.803 5.109 4.320 -0.023 0.000 0.252 224 K C -0.512 175.976 176.600 -0.186 0.000 0.936 224 K CA -0.218 55.956 56.287 -0.189 0.000 0.810 224 K CB 2.001 34.308 32.500 -0.322 0.000 1.143 224 K HN 0.692 nan 8.250 nan 0.000 0.427 225 S N 0.056 115.710 115.700 -0.076 0.000 2.625 225 S HA 0.604 5.060 4.470 -0.023 0.000 0.271 225 S C -1.190 173.479 174.600 0.114 0.000 1.161 225 S CA -0.730 57.431 58.200 -0.065 0.000 0.820 225 S CB 0.984 64.111 63.200 -0.121 0.000 1.137 225 S HN 0.694 nan 8.310 nan 0.000 0.470 226 T N 0.209 114.819 114.554 0.094 0.000 2.912 226 T HA 0.519 4.855 4.350 -0.023 0.000 0.280 226 T C 1.282 176.082 174.700 0.167 0.000 0.989 226 T CA -0.525 61.673 62.100 0.163 0.000 0.995 226 T CB 0.790 69.693 68.868 0.058 0.000 1.077 226 T HN 0.440 nan 8.240 nan 0.000 0.531 227 I N 0.826 121.505 120.570 0.182 0.000 2.286 227 I HA -0.055 4.101 4.170 -0.023 0.000 0.248 227 I C 2.375 178.605 176.117 0.188 0.000 1.115 227 I CA 1.502 62.915 61.300 0.189 0.000 1.392 227 I CB -0.554 37.577 38.000 0.217 0.000 1.065 227 I HN 0.832 nan 8.210 nan 0.000 0.418 228 E N 0.004 120.192 120.200 -0.019 0.000 2.051 228 E HA -0.235 4.101 4.350 -0.023 0.000 0.192 228 E C 1.735 178.408 176.600 0.122 0.000 0.991 228 E CA 1.543 57.930 56.400 -0.022 0.000 0.799 228 E CB -0.238 29.339 29.700 -0.204 0.000 0.748 228 E HN 0.480 nan 8.360 nan 0.000 0.449 229 D N 0.107 120.556 120.400 0.082 0.000 2.144 229 D HA -0.112 4.514 4.640 -0.023 0.000 0.200 229 D C 1.832 178.247 176.300 0.191 0.000 0.978 229 D CA 0.908 54.961 54.000 0.088 0.000 0.833 229 D CB -0.009 40.775 40.800 -0.027 0.000 0.961 229 D HN 0.077 nan 8.370 nan 0.000 0.470 230 M N 0.216 119.946 119.600 0.216 0.000 2.229 230 M HA 0.029 4.495 4.480 -0.023 0.000 0.264 230 M C 2.209 178.690 176.300 0.302 0.000 1.063 230 M CA 0.599 56.085 55.300 0.310 0.000 1.114 230 M CB -1.001 31.761 32.600 0.271 0.000 1.387 230 M HN -0.026 nan 8.290 nan 0.000 0.420 231 A N 0.001 122.977 122.820 0.261 0.000 1.902 231 A HA -0.167 4.139 4.320 -0.023 0.000 0.217 231 A C 2.406 180.068 177.584 0.129 0.000 1.181 231 A CA 1.496 53.648 52.037 0.192 0.000 0.623 231 A CB -0.642 18.504 19.000 0.243 0.000 0.818 231 A HN 0.404 nan 8.150 nan 0.000 0.443 232 R N -1.471 119.129 120.500 0.167 0.000 2.096 232 R HA -0.175 4.151 4.340 -0.023 0.000 0.235 232 R C 2.165 178.566 176.300 0.167 0.000 1.127 232 R CA 1.467 57.644 56.100 0.130 0.000 0.968 232 R CB -0.367 30.016 30.300 0.137 0.000 0.861 232 R HN 0.875 nan 8.270 nan 0.000 0.440 233 W N 0.847 122.171 121.300 0.041 0.000 2.335 233 W HA -0.220 4.426 4.660 -0.022 0.000 0.311 233 W C 1.541 178.009 176.519 -0.085 0.000 1.213 233 W CA 1.249 58.610 57.345 0.028 0.000 1.274 233 W CB -0.101 29.421 29.460 0.103 0.000 1.148 233 W HN -0.096 nan 8.180 nan 0.000 0.498 234 V N 1.441 121.281 119.914 -0.123 0.000 2.287 234 V HA -0.365 3.741 4.120 -0.023 0.000 0.248 234 V C 2.408 178.165 176.094 -0.562 0.000 1.053 234 V CA 2.390 64.420 62.300 -0.451 0.000 1.027 234 V CB -1.210 30.483 31.823 -0.216 0.000 0.646 234 V HN 0.258 nan 8.190 nan 0.000 0.447 235 Q N -0.080 119.542 119.800 -0.296 0.000 2.112 235 Q HA -0.213 4.113 4.340 -0.023 0.000 0.206 235 Q C 2.479 178.288 176.000 -0.319 0.000 0.987 235 Q CA 2.110 57.753 55.803 -0.266 0.000 0.858 235 Q CB -0.325 28.332 28.738 -0.135 0.000 0.905 235 Q HN 0.613 nan 8.270 nan 0.000 0.420 236 S N 0.681 116.205 115.700 -0.294 0.000 2.402 236 S HA -0.069 4.387 4.470 -0.023 0.000 0.229 236 S C 1.494 175.833 174.600 -0.436 0.000 1.021 236 S CA 0.878 58.913 58.200 -0.274 0.000 0.974 236 S CB -0.131 62.982 63.200 -0.145 0.000 0.800 236 S HN 0.370 nan 8.310 nan 0.000 0.484 237 N N 1.009 119.275 118.700 -0.723 0.000 2.376 237 N HA 0.162 4.888 4.740 -0.023 0.000 0.177 237 N C 1.583 176.590 175.510 -0.839 0.000 1.024 237 N CA 0.354 52.898 53.050 -0.844 0.000 0.893 237 N CB -0.084 37.688 38.487 -1.192 0.000 0.980 237 N HN 0.318 nan 8.380 nan 0.000 0.439 238 L N 0.433 121.115 121.223 -0.902 0.000 2.056 238 L HA -0.049 4.278 4.340 -0.023 0.000 0.207 238 L C 1.102 177.781 176.870 -0.318 0.000 1.078 238 L CA 1.150 55.636 54.840 -0.589 0.000 0.749 238 L CB 0.092 41.857 42.059 -0.489 0.000 0.901 238 L HN -0.034 nan 8.230 nan 0.000 0.433 239 K N -0.807 119.419 120.400 -0.291 0.000 3.029 239 K HA 0.188 4.494 4.320 -0.023 0.000 0.169 239 K C -1.984 174.518 176.600 -0.164 0.000 1.090 239 K CA -1.079 55.094 56.287 -0.191 0.000 0.883 239 K CB 1.030 33.431 32.500 -0.164 0.000 1.080 239 K HN -0.157 nan 8.250 nan 0.000 0.613 240 P HA -0.121 nan 4.420 nan 0.000 0.226 240 P C 0.912 178.164 177.300 -0.081 0.000 1.153 240 P CA 0.424 63.450 63.100 -0.122 0.000 0.777 240 P CB 0.307 31.940 31.700 -0.111 0.000 0.794 241 L N 0.399 121.576 121.223 -0.076 0.000 2.275 241 L HA -0.076 4.250 4.340 -0.023 0.000 0.215 241 L C 1.679 178.518 176.870 -0.052 0.000 1.119 241 L CA 1.673 56.479 54.840 -0.057 0.000 0.790 241 L CB -1.650 40.376 42.059 -0.054 0.000 0.919 241 L HN -0.085 nan 8.230 nan 0.000 0.443 242 D N -0.650 119.713 120.400 -0.061 0.000 2.348 242 D HA 0.021 4.648 4.640 -0.023 0.000 0.216 242 D C 0.921 177.197 176.300 -0.041 0.000 0.970 242 D CA 0.448 54.417 54.000 -0.052 0.000 0.889 242 D CB 0.118 40.881 40.800 -0.062 0.000 0.912 242 D HN 0.230 nan 8.370 nan 0.000 0.524 243 I N 1.695 122.241 120.570 -0.041 0.000 2.452 243 I HA -0.013 4.143 4.170 -0.023 0.000 0.287 243 I C 1.370 177.477 176.117 -0.016 0.000 1.079 243 I CA -0.272 61.014 61.300 -0.024 0.000 1.387 243 I CB 0.803 38.791 38.000 -0.020 0.000 1.404 243 I HN -0.185 nan 8.210 nan 0.000 0.522 244 N N 4.101 122.795 118.700 -0.011 0.000 2.300 244 N HA -0.068 4.658 4.740 -0.023 0.000 0.179 244 N C 0.125 175.631 175.510 -0.007 0.000 1.016 244 N CA 0.753 53.797 53.050 -0.010 0.000 0.876 244 N CB 0.074 38.556 38.487 -0.009 0.000 0.979 244 N HN 0.558 nan 8.380 nan 0.000 0.432 245 E N 1.285 121.484 120.200 -0.002 0.000 2.220 245 E HA 0.063 4.399 4.350 -0.023 0.000 0.272 245 E C 0.798 177.398 176.600 -0.000 0.000 1.099 245 E CA 0.106 56.506 56.400 -0.001 0.000 0.907 245 E CB 0.749 30.451 29.700 0.003 0.000 1.022 245 E HN 0.133 nan 8.360 nan 0.000 0.428 246 K N 1.252 121.651 120.400 -0.003 0.000 2.063 246 K HA -0.172 4.134 4.320 -0.023 0.000 0.208 246 K C 1.963 178.565 176.600 0.003 0.000 1.048 246 K CA 1.857 58.143 56.287 -0.002 0.000 0.928 246 K CB -0.149 32.349 32.500 -0.003 0.000 0.713 246 K HN 0.610 nan 8.250 nan 0.000 0.442 247 T N -0.053 114.503 114.554 0.004 0.000 2.904 247 T HA -0.082 4.254 4.350 -0.023 0.000 0.267 247 T C 1.834 176.546 174.700 0.020 0.000 1.059 247 T CA 0.658 62.764 62.100 0.010 0.000 1.137 247 T CB -0.158 68.713 68.868 0.004 0.000 0.879 247 T HN 0.030 nan 8.240 nan 0.000 0.467 248 L N 1.235 122.470 121.223 0.021 0.000 2.072 248 L HA 0.109 4.435 4.340 -0.023 0.000 0.205 248 L C 2.802 179.693 176.870 0.035 0.000 1.079 248 L CA 1.814 56.678 54.840 0.039 0.000 0.752 248 L CB -1.110 40.976 42.059 0.045 0.000 0.906 248 L HN 0.402 nan 8.230 nan 0.000 0.436 249 Q N -0.952 118.857 119.800 0.014 0.000 2.045 249 Q HA -0.332 3.994 4.340 -0.023 0.000 0.206 249 Q C 2.297 178.300 176.000 0.005 0.000 0.991 249 Q CA 2.396 58.198 55.803 -0.002 0.000 0.851 249 Q CB -0.215 28.517 28.738 -0.011 0.000 0.911 249 Q HN 0.541 nan 8.270 nan 0.000 0.418 250 Q N -0.314 119.494 119.800 0.014 0.000 2.167 250 Q HA -0.048 4.278 4.340 -0.023 0.000 0.202 250 Q C 1.839 177.866 176.000 0.046 0.000 0.970 250 Q CA 1.792 57.608 55.803 0.022 0.000 0.855 250 Q CB -0.753 27.998 28.738 0.021 0.000 0.911 250 Q HN 0.540 nan 8.270 nan 0.000 0.438 251 G N 0.374 109.208 108.800 0.058 0.000 2.440 251 G HA2 -0.243 3.703 3.960 -0.023 0.000 0.218 251 G HA3 -0.243 3.703 3.960 -0.023 0.000 0.218 251 G C 1.428 176.397 174.900 0.115 0.000 1.154 251 G CA 0.975 46.130 45.100 0.092 0.000 0.767 251 G HN 0.425 nan 8.290 nan 0.000 0.552 252 I N -0.001 120.619 120.570 0.083 0.000 2.226 252 I HA -0.193 3.963 4.170 -0.023 0.000 0.245 252 I C 3.047 179.197 176.117 0.055 0.000 1.100 252 I CA 1.011 62.349 61.300 0.063 0.000 1.374 252 I CB -0.118 37.860 38.000 -0.037 0.000 1.057 252 I HN 0.125 nan 8.210 nan 0.000 0.413 253 Q N 0.375 120.193 119.800 0.030 0.000 2.084 253 Q HA -0.144 4.182 4.340 -0.023 0.000 0.202 253 Q C 2.408 178.444 176.000 0.060 0.000 0.978 253 Q CA 1.532 57.345 55.803 0.018 0.000 0.844 253 Q CB -0.287 28.450 28.738 -0.002 0.000 0.898 253 Q HN 0.538 nan 8.270 nan 0.000 0.426 254 L N -0.045 121.237 121.223 0.098 0.000 2.191 254 L HA -0.139 4.187 4.340 -0.023 0.000 0.212 254 L C 2.344 179.372 176.870 0.263 0.000 1.103 254 L CA 0.922 55.859 54.840 0.163 0.000 0.769 254 L CB -0.531 41.632 42.059 0.173 0.000 0.908 254 L HN 0.089 nan 8.230 nan 0.000 0.438 255 A N -0.746 122.225 122.820 0.252 0.000 2.067 255 A HA -0.167 4.139 4.320 -0.023 0.000 0.219 255 A C 2.078 179.891 177.584 0.381 0.000 1.158 255 A CA 1.128 53.369 52.037 0.340 0.000 0.661 255 A CB -0.213 19.025 19.000 0.397 0.000 0.801 255 A HN 0.487 nan 8.150 nan 0.000 0.452 256 Q N 0.034 119.974 119.800 0.235 0.000 2.247 256 Q HA 0.188 4.514 4.340 -0.023 0.000 0.204 256 Q C -0.124 175.908 176.000 0.053 0.000 0.872 256 Q CA -0.329 55.556 55.803 0.136 0.000 0.951 256 Q CB 0.443 29.182 28.738 0.002 0.000 1.099 256 Q HN 0.507 nan 8.270 nan 0.000 0.501 257 S N 1.015 116.734 115.700 0.031 0.000 2.579 257 S HA 0.184 4.640 4.470 -0.023 0.000 0.275 257 S C 0.088 174.505 174.600 -0.304 0.000 1.345 257 S CA -0.028 58.039 58.200 -0.220 0.000 1.031 257 S CB 0.548 63.498 63.200 -0.416 0.000 0.892 257 S HN 0.234 nan 8.310 nan 0.000 0.529 258 R N 1.318 121.594 120.500 -0.373 0.000 2.215 258 R HA 0.266 4.592 4.340 -0.023 0.000 0.337 258 R C -0.416 175.692 176.300 -0.320 0.000 1.010 258 R CA -0.165 55.825 56.100 -0.183 0.000 0.871 258 R CB 0.449 30.660 30.300 -0.148 0.000 1.134 258 R HN 0.680 nan 8.270 nan 0.000 0.477 259 Y N 0.664 120.951 120.300 -0.021 0.000 2.479 259 Y HA 0.162 4.698 4.550 -0.023 0.000 0.283 259 Y C 0.101 175.637 175.900 -0.606 0.000 1.109 259 Y CA 0.337 58.242 58.100 -0.325 0.000 1.239 259 Y CB 0.585 38.874 38.460 -0.285 0.000 1.108 259 Y HN 0.457 nan 8.280 nan 0.000 0.548 260 W N -0.312 121.146 121.300 0.262 0.000 3.167 260 W HA 0.538 5.184 4.660 -0.023 0.000 0.324 260 W C -0.949 175.661 176.519 0.152 0.000 1.230 260 W CA -0.988 56.466 57.345 0.182 0.000 1.184 260 W CB 1.111 30.664 29.460 0.155 0.000 1.414 260 W HN -0.461 nan 8.180 nan 0.000 0.551 261 Q N 1.467 121.452 119.800 0.308 0.000 2.337 261 Q HA 0.640 4.966 4.340 -0.023 0.000 0.270 261 Q C -1.286 174.726 176.000 0.020 0.000 1.043 261 Q CA -0.435 55.375 55.803 0.010 0.000 0.794 261 Q CB 2.461 31.113 28.738 -0.143 0.000 1.281 261 Q HN 0.443 nan 8.270 nan 0.000 0.446 262 T N 2.641 117.165 114.554 -0.049 0.000 2.881 262 T HA 0.625 4.961 4.350 -0.023 0.000 0.291 262 T C 0.433 175.083 174.700 -0.083 0.000 0.990 262 T CA 0.778 62.853 62.100 -0.041 0.000 0.976 262 T CB 0.847 69.709 68.868 -0.010 0.000 0.970 262 T HN 1.029 nan 8.240 nan 0.000 0.438 263 G N 4.844 113.597 108.800 -0.079 0.000 2.622 263 G HA2 -0.250 3.696 3.960 -0.023 0.000 0.307 263 G HA3 -0.250 3.696 3.960 -0.023 0.000 0.307 263 G C 0.234 175.056 174.900 -0.130 0.000 1.226 263 G CA 0.626 45.677 45.100 -0.082 0.000 0.997 263 G HN 0.754 nan 8.290 nan 0.000 0.551 264 D N 0.963 121.294 120.400 -0.115 0.000 2.388 264 D HA 0.202 4.828 4.640 -0.023 0.000 0.221 264 D C 0.940 177.141 176.300 -0.164 0.000 1.133 264 D CA 0.003 53.921 54.000 -0.137 0.000 0.831 264 D CB 0.289 41.053 40.800 -0.060 0.000 0.962 264 D HN 0.285 nan 8.370 nan 0.000 0.502 265 M N 0.783 120.278 119.600 -0.175 0.000 2.423 265 M HA 0.285 4.751 4.480 -0.023 0.000 0.335 265 M C -1.538 174.626 176.300 -0.227 0.000 1.177 265 M CA -0.452 54.816 55.300 -0.053 0.000 1.038 265 M CB 1.531 34.187 32.600 0.094 0.000 1.641 265 M HN -0.172 nan 8.290 nan 0.000 0.455 266 Y N 1.653 122.066 120.300 0.188 0.000 2.364 266 Y HA 0.358 4.894 4.550 -0.023 0.000 0.340 266 Y C -0.221 175.840 175.900 0.268 0.000 0.975 266 Y CA -0.731 57.490 58.100 0.202 0.000 1.089 266 Y CB 1.524 40.068 38.460 0.140 0.000 1.192 266 Y HN 0.544 nan 8.280 nan 0.000 0.454 267 Q N 2.053 122.126 119.800 0.455 0.000 2.296 267 Q HA 0.530 4.856 4.340 -0.023 0.000 0.257 267 Q C 0.039 176.331 176.000 0.487 0.000 0.942 267 Q CA -0.180 55.896 55.803 0.455 0.000 0.939 267 Q CB 1.124 30.153 28.738 0.484 0.000 1.198 267 Q HN 0.896 nan 8.270 nan 0.000 0.429 268 G N 2.769 111.830 108.800 0.434 0.000 2.641 268 G HA2 0.466 4.412 3.960 -0.023 0.000 0.239 268 G HA3 0.466 4.412 3.960 -0.023 0.000 0.239 268 G C -0.873 174.187 174.900 0.267 0.000 1.402 268 G CA -0.818 44.560 45.100 0.464 0.000 1.046 268 G HN 0.604 nan 8.290 nan 0.000 0.565 269 L N 1.245 122.600 121.223 0.219 0.000 2.288 269 L HA 0.433 4.759 4.340 -0.023 0.000 0.283 269 L C 1.404 178.324 176.870 0.085 0.000 1.072 269 L CA 0.445 55.293 54.840 0.013 0.000 0.862 269 L CB 0.275 42.336 42.059 0.004 0.000 1.245 269 L HN 1.046 nan 8.230 nan 0.000 0.432 270 G N 2.020 110.839 108.800 0.032 0.000 3.909 270 G HA2 -0.304 3.643 3.960 -0.023 0.000 0.218 270 G HA3 -0.304 3.643 3.960 -0.023 0.000 0.218 270 G C 0.026 174.967 174.900 0.069 0.000 1.404 270 G CA -0.205 44.910 45.100 0.025 0.000 0.905 270 G HN 0.511 nan 8.290 nan 0.000 0.589 271 W N 2.408 123.839 121.300 0.218 0.000 2.148 271 W HA 0.539 5.186 4.660 -0.022 0.000 0.347 271 W C 0.878 177.545 176.519 0.247 0.000 1.288 271 W CA 0.044 57.514 57.345 0.208 0.000 1.252 271 W CB 0.334 29.890 29.460 0.159 0.000 1.156 271 W HN 0.357 nan 8.180 nan 0.000 0.580 272 E N 1.498 122.043 120.200 0.576 0.000 2.256 272 E HA 0.570 4.906 4.350 -0.023 0.000 0.267 272 E C -0.860 176.048 176.600 0.514 0.000 0.892 272 E CA -1.155 55.555 56.400 0.516 0.000 0.775 272 E CB 1.746 31.739 29.700 0.488 0.000 1.207 272 E HN 0.172 nan 8.360 nan 0.000 0.420 273 M N 1.951 121.801 119.600 0.417 0.000 2.550 273 M HA 0.478 4.944 4.480 -0.023 0.000 0.292 273 M C -1.568 174.957 176.300 0.375 0.000 1.221 273 M CA -0.413 55.070 55.300 0.305 0.000 0.873 273 M CB 1.723 34.435 32.600 0.187 0.000 1.727 273 M HN 0.292 nan 8.290 nan 0.000 0.459 274 L N 0.309 121.715 121.223 0.305 0.000 2.350 274 L HA 0.577 4.903 4.340 -0.023 0.000 0.260 274 L C -0.741 176.289 176.870 0.266 0.000 1.015 274 L CA -0.726 54.305 54.840 0.319 0.000 0.821 274 L CB 1.676 43.837 42.059 0.170 0.000 1.370 274 L HN 0.550 nan 8.230 nan 0.000 0.416 275 D N 0.657 121.202 120.400 0.241 0.000 2.414 275 D HA -0.018 4.608 4.640 -0.023 0.000 0.242 275 D C -0.909 175.518 176.300 0.211 0.000 1.129 275 D CA 0.219 54.322 54.000 0.171 0.000 0.885 275 D CB 1.135 42.004 40.800 0.115 0.000 1.198 275 D HN 0.384 nan 8.370 nan 0.000 0.437 276 W N 4.315 125.660 121.300 0.075 0.000 2.433 276 W HA 0.269 4.915 4.660 -0.023 0.000 0.315 276 W C -2.375 174.186 176.519 0.070 0.000 1.087 276 W CA -1.905 55.502 57.345 0.104 0.000 1.205 276 W CB 1.283 30.824 29.460 0.134 0.000 1.288 276 W HN 0.211 nan 8.180 nan 0.000 0.504 277 P HA 0.115 nan 4.420 nan 0.000 0.275 277 P C -0.356 176.598 177.300 -0.576 0.000 1.227 277 P CA 0.022 62.358 63.100 -1.272 0.000 0.781 277 P CB 1.546 32.685 31.700 -0.935 0.000 0.906 278 V N -0.227 119.363 119.914 -0.540 0.000 2.837 278 V HA 0.463 4.569 4.120 -0.023 0.000 0.310 278 V C 0.295 176.132 176.094 -0.429 0.000 1.059 278 V CA -1.036 61.068 62.300 -0.327 0.000 1.004 278 V CB 1.187 32.825 31.823 -0.308 0.000 1.045 278 V HN 0.517 nan 8.190 nan 0.000 0.465 279 N N 4.420 122.902 118.700 -0.362 0.000 2.401 279 N HA 0.340 5.067 4.740 -0.023 0.000 0.255 279 N C -1.324 173.857 175.510 -0.548 0.000 1.110 279 N CA -2.248 50.561 53.050 -0.401 0.000 0.949 279 N CB 1.256 39.583 38.487 -0.267 0.000 1.110 279 N HN 0.511 nan 8.380 nan 0.000 0.490 280 P HA -0.130 nan 4.420 nan 0.000 0.216 280 P C 0.460 177.403 177.300 -0.596 0.000 1.150 280 P CA 1.097 63.564 63.100 -1.055 0.000 0.837 280 P CB 0.443 31.073 31.700 -1.784 0.000 0.786 281 D N -0.495 119.641 120.400 -0.441 0.000 2.133 281 D HA -0.144 4.482 4.640 -0.023 0.000 0.195 281 D C 2.226 178.394 176.300 -0.220 0.000 0.997 281 D CA 1.410 55.246 54.000 -0.272 0.000 0.840 281 D CB -0.832 39.843 40.800 -0.208 0.000 0.947 281 D HN 0.140 nan 8.370 nan 0.000 0.452 282 S N -0.242 115.318 115.700 -0.233 0.000 2.355 282 S HA -0.102 4.355 4.470 -0.023 0.000 0.222 282 S C 2.139 176.651 174.600 -0.146 0.000 1.031 282 S CA 1.137 59.236 58.200 -0.169 0.000 0.993 282 S CB -0.242 62.862 63.200 -0.159 0.000 0.859 282 S HN 0.402 nan 8.310 nan 0.000 0.453 283 I N -0.665 119.775 120.570 -0.217 0.000 2.286 283 I HA -0.015 4.141 4.170 -0.023 0.000 0.245 283 I C 2.161 178.236 176.117 -0.069 0.000 1.104 283 I CA 1.220 62.440 61.300 -0.134 0.000 1.397 283 I CB -0.599 37.216 38.000 -0.308 0.000 1.072 283 I HN 0.224 nan 8.210 nan 0.000 0.417 284 I N 1.938 122.418 120.570 -0.150 0.000 2.113 284 I HA -0.250 3.906 4.170 -0.023 0.000 0.238 284 I C 2.385 178.455 176.117 -0.079 0.000 1.070 284 I CA 1.605 62.840 61.300 -0.107 0.000 1.332 284 I CB -0.688 37.231 38.000 -0.134 0.000 1.044 284 I HN 0.304 nan 8.210 nan 0.000 0.402 285 N N 1.115 119.761 118.700 -0.090 0.000 2.188 285 N HA -0.108 4.618 4.740 -0.023 0.000 0.184 285 N C 1.880 177.360 175.510 -0.050 0.000 1.018 285 N CA 1.570 54.579 53.050 -0.068 0.000 0.858 285 N CB -0.764 37.679 38.487 -0.074 0.000 0.989 285 N HN 0.421 nan 8.380 nan 0.000 0.426 286 G N 0.325 109.101 108.800 -0.041 0.000 2.470 286 G HA2 -0.213 3.733 3.960 -0.023 0.000 0.220 286 G HA3 -0.213 3.733 3.960 -0.023 0.000 0.220 286 G C 1.622 176.521 174.900 -0.002 0.000 1.121 286 G CA 1.247 46.339 45.100 -0.014 0.000 0.766 286 G HN 0.505 nan 8.290 nan 0.000 0.553 287 S N -0.246 115.452 115.700 -0.004 0.000 2.461 287 S HA -0.018 4.439 4.470 -0.023 0.000 0.228 287 S C 0.891 175.451 174.600 -0.065 0.000 1.005 287 S CA 0.184 58.369 58.200 -0.025 0.000 0.942 287 S CB -0.088 63.092 63.200 -0.034 0.000 0.776 287 S HN 0.291 nan 8.310 nan 0.000 0.514 288 D N 2.026 122.392 120.400 -0.057 0.000 2.493 288 D HA 0.046 4.672 4.640 -0.023 0.000 0.240 288 D C 0.484 176.744 176.300 -0.066 0.000 1.142 288 D CA 0.115 54.079 54.000 -0.059 0.000 0.872 288 D CB 0.508 41.280 40.800 -0.046 0.000 1.173 288 D HN 0.107 nan 8.370 nan 0.000 0.467 289 N N 3.474 122.131 118.700 -0.072 0.000 2.223 289 N HA -0.152 4.574 4.740 -0.023 0.000 0.185 289 N C 1.390 176.868 175.510 -0.053 0.000 1.016 289 N CA 0.757 53.760 53.050 -0.079 0.000 0.863 289 N CB -0.011 38.437 38.487 -0.066 0.000 0.983 289 N HN 0.529 nan 8.380 nan 0.000 0.429 290 K N 0.342 120.721 120.400 -0.036 0.000 2.169 290 K HA -0.206 4.100 4.320 -0.023 0.000 0.213 290 K C 1.765 178.348 176.600 -0.028 0.000 1.050 290 K CA 1.434 57.705 56.287 -0.026 0.000 0.935 290 K CB -0.194 32.293 32.500 -0.022 0.000 0.722 290 K HN 0.292 nan 8.250 nan 0.000 0.468 291 I N -0.549 119.999 120.570 -0.037 0.000 2.729 291 I HA -0.045 4.111 4.170 -0.023 0.000 0.256 291 I C 2.427 178.517 176.117 -0.044 0.000 1.115 291 I CA 0.476 61.755 61.300 -0.035 0.000 1.446 291 I CB -0.184 37.796 38.000 -0.033 0.000 1.176 291 I HN 0.101 nan 8.210 nan 0.000 0.446 292 A N 1.024 123.801 122.820 -0.071 0.000 1.972 292 A HA -0.072 4.234 4.320 -0.023 0.000 0.219 292 A C 2.083 179.581 177.584 -0.142 0.000 1.169 292 A CA 1.324 53.291 52.037 -0.117 0.000 0.635 292 A CB -0.604 18.285 19.000 -0.184 0.000 0.810 292 A HN 0.425 nan 8.150 nan 0.000 0.446 293 L N -0.824 120.340 121.223 -0.099 0.000 2.607 293 L HA 0.261 4.587 4.340 -0.023 0.000 0.228 293 L C 1.094 177.973 176.870 0.015 0.000 1.123 293 L CA -0.158 54.658 54.840 -0.040 0.000 0.890 293 L CB -0.239 41.802 42.059 -0.030 0.000 1.103 293 L HN 0.351 nan 8.230 nan 0.000 0.468 294 A N 0.822 123.641 122.820 -0.000 0.000 2.340 294 A HA 0.636 4.942 4.320 -0.023 0.000 0.268 294 A C 0.494 178.079 177.584 0.002 0.000 1.100 294 A CA -0.218 51.825 52.037 0.010 0.000 0.803 294 A CB 0.433 19.428 19.000 -0.009 0.000 1.043 294 A HN 0.212 nan 8.150 nan 0.000 0.488 295 A N 2.958 125.782 122.820 0.006 0.000 2.454 295 A HA 0.550 4.856 4.320 -0.023 0.000 0.260 295 A C 0.346 177.824 177.584 -0.178 0.000 1.106 295 A CA -0.071 51.903 52.037 -0.104 0.000 0.780 295 A CB 0.003 18.937 19.000 -0.110 0.000 1.044 295 A HN 0.713 nan 8.150 nan 0.000 0.498 296 R N 2.714 123.083 120.500 -0.219 0.000 2.673 296 R HA 0.487 4.813 4.340 -0.023 0.000 0.281 296 R C -3.148 173.005 176.300 -0.245 0.000 0.991 296 R CA -2.249 53.738 56.100 -0.188 0.000 0.896 296 R CB 1.848 32.087 30.300 -0.101 0.000 1.201 296 R HN 0.491 nan 8.270 nan 0.000 0.457 297 P HA 0.058 nan 4.420 nan 0.000 0.268 297 P C -0.175 177.058 177.300 -0.113 0.000 1.205 297 P CA -0.165 62.818 63.100 -0.194 0.000 0.771 297 P CB 0.682 32.300 31.700 -0.136 0.000 0.858 298 V N -0.244 119.616 119.914 -0.090 0.000 2.715 298 V HA 0.556 4.662 4.120 -0.023 0.000 0.310 298 V C -0.067 176.122 176.094 0.159 0.000 1.054 298 V CA -1.171 61.148 62.300 0.033 0.000 0.928 298 V CB 1.959 33.767 31.823 -0.024 0.000 1.007 298 V HN 0.426 nan 8.190 nan 0.000 0.437 299 K N 2.740 123.274 120.400 0.222 0.000 2.211 299 K HA 0.739 5.045 4.320 -0.023 0.000 0.275 299 K C 0.084 176.906 176.600 0.370 0.000 1.024 299 K CA -0.304 56.123 56.287 0.233 0.000 0.887 299 K CB 1.434 34.012 32.500 0.130 0.000 1.084 299 K HN 1.157 nan 8.250 nan 0.000 0.463 300 A N 5.317 128.337 122.820 0.334 0.000 2.450 300 A HA 0.255 4.561 4.320 -0.023 0.000 0.255 300 A C -0.063 177.496 177.584 -0.042 0.000 1.096 300 A CA -0.375 51.701 52.037 0.065 0.000 0.778 300 A CB 0.058 19.083 19.000 0.041 0.000 1.031 300 A HN 0.651 nan 8.150 nan 0.000 0.494 301 I N 3.405 123.864 120.570 -0.185 0.000 2.307 301 I HA 0.234 4.390 4.170 -0.023 0.000 0.287 301 I C -0.023 175.994 176.117 -0.167 0.000 1.054 301 I CA 0.304 61.534 61.300 -0.116 0.000 1.218 301 I CB 0.128 38.076 38.000 -0.087 0.000 1.398 301 I HN 0.500 nan 8.210 nan 0.000 0.475 302 T N 7.465 121.959 114.554 -0.100 0.000 2.912 302 T HA 0.463 4.799 4.350 -0.023 0.000 0.326 302 T C -1.710 172.954 174.700 -0.060 0.000 1.080 302 T CA -0.911 61.137 62.100 -0.086 0.000 1.000 302 T CB 1.373 70.211 68.868 -0.050 0.000 1.008 302 T HN 0.423 nan 8.240 nan 0.000 0.473 303 P HA 0.528 nan 4.420 nan 0.000 0.279 303 P C -3.027 174.187 177.300 -0.143 0.000 1.276 303 P CA -2.116 60.927 63.100 -0.095 0.000 0.801 303 P CB -0.053 31.605 31.700 -0.070 0.000 1.127 304 P HA 0.072 nan 4.420 nan 0.000 0.266 304 P C -0.313 176.826 177.300 -0.269 0.000 1.195 304 P CA 0.379 63.278 63.100 -0.335 0.000 0.768 304 P CB -0.062 31.271 31.700 -0.611 0.000 0.838 305 T N 5.132 119.530 114.554 -0.259 0.000 2.851 305 T HA 0.253 4.589 4.350 -0.023 0.000 0.298 305 T C -2.122 172.448 174.700 -0.217 0.000 0.977 305 T CA -1.075 60.903 62.100 -0.204 0.000 1.126 305 T CB -0.170 68.578 68.868 -0.199 0.000 0.916 305 T HN 0.277 nan 8.240 nan 0.000 0.529 306 P HA 0.196 nan 4.420 nan 0.000 0.269 306 P C -0.490 176.735 177.300 -0.125 0.000 1.217 306 P CA -0.470 62.552 63.100 -0.130 0.000 0.783 306 P CB 0.277 31.922 31.700 -0.091 0.000 0.898 307 A N 2.249 125.011 122.820 -0.098 0.000 2.583 307 A HA 0.043 4.349 4.320 -0.023 0.000 0.249 307 A C 0.154 177.684 177.584 -0.090 0.000 1.035 307 A CA 0.320 52.306 52.037 -0.085 0.000 0.777 307 A CB -0.849 18.115 19.000 -0.061 0.000 0.942 307 A HN 0.365 nan 8.150 nan 0.000 0.516 308 V N 5.949 125.802 119.914 -0.102 0.000 2.406 308 V HA 0.154 4.260 4.120 -0.023 0.000 0.272 308 V C 1.501 177.556 176.094 -0.066 0.000 1.043 308 V CA -0.328 61.918 62.300 -0.089 0.000 0.915 308 V CB 1.001 32.754 31.823 -0.117 0.000 0.988 308 V HN 1.054 nan 8.190 nan 0.000 0.466 309 R N 3.535 124.005 120.500 -0.050 0.000 2.092 309 R HA 0.013 4.339 4.340 -0.023 0.000 0.231 309 R C 1.329 177.615 176.300 -0.022 0.000 1.119 309 R CA 1.213 57.286 56.100 -0.045 0.000 0.970 309 R CB -0.038 30.235 30.300 -0.044 0.000 0.864 309 R HN 0.735 nan 8.270 nan 0.000 0.440 310 A N 1.757 124.590 122.820 0.022 0.000 3.048 310 A HA 0.217 4.523 4.320 -0.023 0.000 0.264 310 A C -0.489 177.191 177.584 0.160 0.000 1.796 310 A CA 0.164 52.270 52.037 0.114 0.000 1.445 310 A CB -0.036 19.051 19.000 0.144 0.000 1.074 310 A HN 0.040 nan 8.150 nan 0.000 0.621 311 S N 0.428 116.189 115.700 0.102 0.000 2.570 311 S HA 0.525 4.981 4.470 -0.023 0.000 0.286 311 S C -0.945 173.734 174.600 0.131 0.000 1.099 311 S CA -0.578 57.692 58.200 0.117 0.000 0.913 311 S CB 1.193 64.377 63.200 -0.027 0.000 1.085 311 S HN 0.685 nan 8.310 nan 0.000 0.480 312 W N 3.950 125.266 121.300 0.026 0.000 2.308 312 W HA 0.547 5.192 4.660 -0.024 0.000 0.311 312 W C -1.784 174.575 176.519 -0.266 0.000 1.088 312 W CA -0.519 56.770 57.345 -0.093 0.000 1.309 312 W CB 0.541 30.054 29.460 0.089 0.000 1.229 312 W HN 0.328 nan 8.180 nan 0.000 0.427 313 V N 7.706 127.184 119.914 -0.727 0.000 2.398 313 V HA 0.411 4.517 4.120 -0.023 0.000 0.286 313 V C -0.039 175.629 176.094 -0.711 0.000 1.026 313 V CA -0.351 61.465 62.300 -0.807 0.000 0.868 313 V CB 1.159 32.009 31.823 -1.621 0.000 0.982 313 V HN 0.666 nan 8.190 nan 0.000 0.443 314 H N 2.526 121.525 119.070 -0.118 0.000 2.981 314 H HA 0.903 5.445 4.556 -0.023 0.000 0.327 314 H C -1.301 174.284 175.328 0.427 0.000 1.342 314 H CA -1.289 54.827 56.048 0.113 0.000 1.123 314 H CB 2.250 32.092 29.762 0.132 0.000 1.851 314 H HN 0.436 nan 8.280 nan 0.000 0.531 315 K N 1.194 121.702 120.400 0.179 0.000 2.570 315 K HA 0.268 4.574 4.320 -0.023 0.000 0.256 315 K C -1.390 175.292 176.600 0.136 0.000 0.939 315 K CA -0.112 56.220 56.287 0.075 0.000 0.833 315 K CB 2.147 34.662 32.500 0.024 0.000 1.318 315 K HN 0.912 nan 8.250 nan 0.000 0.433 316 T N -0.088 114.569 114.554 0.173 0.000 2.928 316 T HA 0.887 5.223 4.350 -0.023 0.000 0.284 316 T C 0.265 175.046 174.700 0.134 0.000 1.008 316 T CA -0.477 61.766 62.100 0.239 0.000 1.057 316 T CB 1.628 70.558 68.868 0.103 0.000 1.018 316 T HN 0.668 nan 8.240 nan 0.000 0.493 317 G N -0.538 108.347 108.800 0.142 0.000 2.732 317 G HA2 0.728 4.674 3.960 -0.023 0.000 0.296 317 G HA3 0.728 4.674 3.960 -0.023 0.000 0.296 317 G C -1.540 173.442 174.900 0.136 0.000 1.448 317 G CA -0.489 44.693 45.100 0.137 0.000 0.911 317 G HN 1.121 nan 8.290 nan 0.000 0.528 318 A N 0.255 123.154 122.820 0.131 0.000 2.587 318 A HA 1.002 5.308 4.320 -0.023 0.000 0.293 318 A C 0.073 177.749 177.584 0.153 0.000 1.087 318 A CA 0.122 52.248 52.037 0.149 0.000 0.692 318 A CB 1.715 20.767 19.000 0.087 0.000 1.291 318 A HN 1.950 nan 8.150 nan 0.000 0.407 319 T N -2.469 112.215 114.554 0.217 0.000 2.773 319 T HA 0.615 4.951 4.350 -0.023 0.000 0.278 319 T C 1.355 176.170 174.700 0.192 0.000 1.011 319 T CA 0.184 62.395 62.100 0.185 0.000 1.014 319 T CB 0.925 69.950 68.868 0.263 0.000 1.293 319 T HN 1.579 nan 8.240 nan 0.000 0.554 320 G N -0.196 108.700 108.800 0.160 0.000 2.469 320 G HA2 0.099 4.045 3.960 -0.023 0.000 0.220 320 G HA3 0.099 4.045 3.960 -0.023 0.000 0.220 320 G C 1.157 176.148 174.900 0.152 0.000 1.136 320 G CA 0.709 45.887 45.100 0.130 0.000 0.759 320 G HN 1.195 nan 8.290 nan 0.000 0.562 321 G N -1.448 107.487 108.800 0.225 0.000 3.377 321 G HA2 0.489 4.435 3.960 -0.023 0.000 0.257 321 G HA3 0.489 4.435 3.960 -0.023 0.000 0.257 321 G C -0.445 174.435 174.900 -0.033 0.000 1.038 321 G CA -0.477 44.679 45.100 0.093 0.000 0.809 321 G HN 0.195 nan 8.290 nan 0.000 0.526 322 F N -0.545 119.537 119.950 0.220 0.000 2.599 322 F HA 0.691 5.203 4.527 -0.024 0.000 0.311 322 F C 0.259 176.188 175.800 0.215 0.000 1.076 322 F CA -1.062 57.102 58.000 0.274 0.000 0.937 322 F CB 2.511 41.697 39.000 0.310 0.000 1.282 322 F HN 0.018 nan 8.300 nan 0.000 0.460 323 G N 0.893 109.949 108.800 0.428 0.000 2.723 323 G HA2 0.580 4.526 3.960 -0.023 0.000 0.295 323 G HA3 0.580 4.526 3.960 -0.023 0.000 0.295 323 G C -1.636 173.409 174.900 0.243 0.000 1.464 323 G CA -0.579 44.654 45.100 0.222 0.000 1.012 323 G HN 0.553 nan 8.290 nan 0.000 0.522 324 S N 0.187 116.005 115.700 0.197 0.000 2.568 324 S HA 0.783 5.239 4.470 -0.023 0.000 0.293 324 S C -1.747 173.021 174.600 0.280 0.000 1.089 324 S CA -0.576 57.758 58.200 0.225 0.000 0.945 324 S CB 1.969 65.298 63.200 0.216 0.000 1.077 324 S HN 0.658 nan 8.310 nan 0.000 0.485 325 Y N 0.902 121.288 120.300 0.143 0.000 2.479 325 Y HA 0.617 5.153 4.550 -0.024 0.000 0.338 325 Y C -1.751 174.281 175.900 0.219 0.000 1.055 325 Y CA -0.659 57.542 58.100 0.168 0.000 1.023 325 Y CB 1.041 39.600 38.460 0.165 0.000 1.287 325 Y HN 0.455 nan 8.280 nan 0.000 0.447 326 V N 4.595 124.320 119.914 -0.315 0.000 2.709 326 V HA 0.974 5.080 4.120 -0.023 0.000 0.308 326 V C -0.825 175.018 176.094 -0.418 0.000 1.062 326 V CA -0.311 61.893 62.300 -0.161 0.000 0.901 326 V CB 1.473 33.446 31.823 0.251 0.000 1.003 326 V HN 0.982 nan 8.190 nan 0.000 0.425 327 A N 4.583 127.202 122.820 -0.335 0.000 2.520 327 A HA 1.029 5.336 4.320 -0.023 0.000 0.298 327 A C -1.297 176.028 177.584 -0.432 0.000 1.051 327 A CA -0.499 51.211 52.037 -0.545 0.000 0.690 327 A CB 1.788 20.342 19.000 -0.745 0.000 1.281 327 A HN 1.377 nan 8.150 nan 0.000 0.402 328 F N -0.838 118.675 119.950 -0.728 0.000 2.686 328 F HA 0.835 5.348 4.527 -0.024 0.000 0.311 328 F C -1.350 174.091 175.800 -0.597 0.000 1.128 328 F CA -1.307 56.331 58.000 -0.603 0.000 0.946 328 F CB 1.306 40.017 39.000 -0.482 0.000 1.336 328 F HN 0.296 nan 8.300 nan 0.000 0.457 329 I N 2.213 122.607 120.570 -0.293 0.000 2.495 329 I HA 0.315 4.471 4.170 -0.023 0.000 0.277 329 I C -2.165 173.840 176.117 -0.187 0.000 1.045 329 I CA -1.798 59.290 61.300 -0.354 0.000 1.135 329 I CB 1.832 39.466 38.000 -0.610 0.000 1.241 329 I HN 0.370 nan 8.210 nan 0.000 0.469 330 P HA -0.217 nan 4.420 nan 0.000 0.216 330 P C 1.457 178.690 177.300 -0.111 0.000 1.153 330 P CA 1.185 64.244 63.100 -0.069 0.000 0.858 330 P CB 0.405 32.077 31.700 -0.047 0.000 0.789 331 E N -0.109 120.023 120.200 -0.112 0.000 2.160 331 E HA -0.188 4.148 4.350 -0.023 0.000 0.195 331 E C 1.333 177.863 176.600 -0.116 0.000 0.991 331 E CA 1.381 57.728 56.400 -0.089 0.000 0.810 331 E CB -0.448 29.229 29.700 -0.038 0.000 0.742 331 E HN 0.024 nan 8.360 nan 0.000 0.466 332 K N 0.297 120.589 120.400 -0.181 0.000 2.374 332 K HA 0.066 4.372 4.320 -0.023 0.000 0.196 332 K C -0.299 176.186 176.600 -0.191 0.000 1.023 332 K CA 0.400 56.575 56.287 -0.187 0.000 1.103 332 K CB 0.324 32.669 32.500 -0.259 0.000 0.848 332 K HN 0.209 nan 8.250 nan 0.000 0.528 333 E N 0.746 120.841 120.200 -0.175 0.000 2.403 333 E HA -0.232 4.104 4.350 -0.023 0.000 0.241 333 E C -0.613 175.882 176.600 -0.176 0.000 1.201 333 E CA 0.235 56.529 56.400 -0.176 0.000 0.721 333 E CB -1.349 28.241 29.700 -0.183 0.000 1.245 333 E HN 0.034 nan 8.360 nan 0.000 0.392 334 L N -0.173 120.952 121.223 -0.164 0.000 2.365 334 L HA 0.808 5.134 4.340 -0.023 0.000 0.273 334 L C 0.211 177.014 176.870 -0.112 0.000 1.000 334 L CA 0.176 54.943 54.840 -0.122 0.000 0.819 334 L CB 2.026 43.997 42.059 -0.147 0.000 1.284 334 L HN 0.076 nan 8.230 nan 0.000 0.418 335 G N 4.139 112.904 108.800 -0.058 0.000 2.623 335 G HA2 0.622 4.568 3.960 -0.023 0.000 0.290 335 G HA3 0.622 4.568 3.960 -0.023 0.000 0.290 335 G C -2.208 172.692 174.900 0.000 0.000 1.437 335 G CA -0.448 44.621 45.100 -0.051 0.000 0.798 335 G HN 0.764 nan 8.290 nan 0.000 0.488 336 I N -0.209 120.365 120.570 0.008 0.000 2.827 336 I HA 0.676 4.832 4.170 -0.023 0.000 0.298 336 I C -1.357 174.818 176.117 0.097 0.000 1.235 336 I CA -1.032 60.314 61.300 0.076 0.000 1.021 336 I CB 2.375 40.442 38.000 0.112 0.000 1.259 336 I HN 0.381 nan 8.210 nan 0.000 0.427 337 V N 7.124 127.130 119.914 0.152 0.000 2.577 337 V HA 0.508 4.614 4.120 -0.023 0.000 0.303 337 V C -0.535 175.680 176.094 0.202 0.000 1.042 337 V CA -0.428 61.977 62.300 0.176 0.000 0.872 337 V CB 1.793 33.735 31.823 0.197 0.000 0.998 337 V HN 0.635 nan 8.190 nan 0.000 0.423 338 M N 6.284 126.012 119.600 0.213 0.000 2.085 338 M HA 0.605 5.071 4.480 -0.023 0.000 0.309 338 M C -1.287 175.100 176.300 0.144 0.000 0.947 338 M CA -0.145 55.281 55.300 0.211 0.000 0.918 338 M CB 1.715 34.491 32.600 0.293 0.000 1.504 338 M HN 0.401 nan 8.290 nan 0.000 0.420 339 L N 2.890 124.095 121.223 -0.030 0.000 2.333 339 L HA 0.989 5.315 4.340 -0.023 0.000 0.280 339 L C -0.349 176.336 176.870 -0.309 0.000 1.004 339 L CA -0.736 53.926 54.840 -0.296 0.000 0.820 339 L CB 1.751 43.289 42.059 -0.868 0.000 1.247 339 L HN 0.768 nan 8.230 nan 0.000 0.416 340 A N 1.910 124.802 122.820 0.121 0.000 2.475 340 A HA 0.585 4.891 4.320 -0.023 0.000 0.301 340 A C -0.401 177.539 177.584 0.594 0.000 1.059 340 A CA -0.760 51.506 52.037 0.382 0.000 0.710 340 A CB 1.289 20.529 19.000 0.401 0.000 1.288 340 A HN 0.759 nan 8.150 nan 0.000 0.408 341 N N 1.271 120.260 118.700 0.482 0.000 2.575 341 N HA 0.154 4.880 4.740 -0.023 0.000 0.275 341 N C -0.445 175.065 175.510 0.000 0.000 1.202 341 N CA -0.061 52.959 53.050 -0.051 0.000 0.945 341 N CB 0.241 38.668 38.487 -0.101 0.000 1.247 341 N HN 0.591 nan 8.380 nan 0.000 0.510 342 K N 0.196 120.692 120.400 0.160 0.000 2.525 342 K HA 0.213 4.519 4.320 -0.023 0.000 0.254 342 K C -1.406 175.365 176.600 0.286 0.000 0.934 342 K CA -0.700 55.699 56.287 0.187 0.000 0.802 342 K CB 1.277 33.889 32.500 0.186 0.000 1.295 342 K HN -0.060 nan 8.250 nan 0.000 0.433 343 N N 4.165 122.991 118.700 0.211 0.000 2.466 343 N HA 0.049 4.775 4.740 -0.023 0.000 0.263 343 N C -1.354 174.257 175.510 0.169 0.000 1.178 343 N CA 0.040 53.191 53.050 0.168 0.000 0.983 343 N CB -0.294 38.269 38.487 0.126 0.000 1.331 343 N HN 0.434 nan 8.380 nan 0.000 0.500 344 Y N 1.394 121.738 120.300 0.074 0.000 2.496 344 Y HA 0.754 5.289 4.550 -0.024 0.000 0.331 344 Y C -2.475 173.445 175.900 0.034 0.000 1.140 344 Y CA -3.110 55.017 58.100 0.045 0.000 1.166 344 Y CB 0.031 38.512 38.460 0.036 0.000 1.249 344 Y HN 0.258 nan 8.280 nan 0.000 0.479 345 P HA 0.038 nan 4.420 nan 0.000 0.264 345 P C 0.065 177.264 177.300 -0.169 0.000 1.193 345 P CA 0.176 63.241 63.100 -0.060 0.000 0.763 345 P CB 0.727 32.438 31.700 0.019 0.000 0.810 346 N N 4.489 123.085 118.700 -0.173 0.000 2.069 346 N HA -0.175 4.551 4.740 -0.023 0.000 0.196 346 N C -0.880 174.530 175.510 -0.166 0.000 1.024 346 N CA 2.023 54.956 53.050 -0.194 0.000 0.869 346 N CB -1.894 36.510 38.487 -0.140 0.000 1.035 346 N HN 0.466 nan 8.380 nan 0.000 0.434 347 P HA -0.016 nan 4.420 nan 0.000 0.218 347 P C 1.065 178.347 177.300 -0.030 0.000 1.149 347 P CA 1.435 64.495 63.100 -0.067 0.000 0.817 347 P CB -0.081 31.594 31.700 -0.042 0.000 0.785 348 A N 0.025 122.857 122.820 0.020 0.000 1.972 348 A HA -0.218 4.088 4.320 -0.023 0.000 0.219 348 A C 2.196 179.867 177.584 0.146 0.000 1.169 348 A CA 1.407 53.514 52.037 0.115 0.000 0.635 348 A CB -0.940 18.204 19.000 0.239 0.000 0.810 348 A HN 0.106 nan 8.150 nan 0.000 0.446 349 R N -0.709 119.812 120.500 0.035 0.000 2.062 349 R HA -0.063 4.263 4.340 -0.023 0.000 0.231 349 R C 2.001 178.226 176.300 -0.125 0.000 1.136 349 R CA 1.530 57.622 56.100 -0.013 0.000 0.948 349 R CB -0.660 29.497 30.300 -0.238 0.000 0.845 349 R HN 0.373 nan 8.270 nan 0.000 0.430 350 V N 1.535 121.272 119.914 -0.296 0.000 2.427 350 V HA -0.226 3.880 4.120 -0.023 0.000 0.248 350 V C 1.887 178.053 176.094 0.120 0.000 1.051 350 V CA 2.096 64.268 62.300 -0.214 0.000 1.048 350 V CB -0.582 31.130 31.823 -0.185 0.000 0.666 350 V HN 0.349 nan 8.190 nan 0.000 0.456 351 D N 0.568 121.021 120.400 0.088 0.000 2.097 351 D HA -0.173 4.453 4.640 -0.023 0.000 0.195 351 D C 2.127 178.574 176.300 0.245 0.000 0.989 351 D CA 1.587 55.687 54.000 0.166 0.000 0.827 351 D CB -0.144 40.713 40.800 0.096 0.000 0.966 351 D HN 0.360 nan 8.370 nan 0.000 0.456 352 A N 0.482 123.411 122.820 0.182 0.000 1.902 352 A HA 0.032 4.339 4.320 -0.023 0.000 0.217 352 A C 2.400 180.118 177.584 0.224 0.000 1.181 352 A CA 2.110 54.246 52.037 0.164 0.000 0.623 352 A CB -1.180 17.890 19.000 0.117 0.000 0.818 352 A HN 0.363 nan 8.150 nan 0.000 0.443 353 A N -0.801 122.219 122.820 0.333 0.000 1.908 353 A HA -0.206 4.100 4.320 -0.023 0.000 0.218 353 A C 2.128 180.037 177.584 0.540 0.000 1.181 353 A CA 1.512 53.834 52.037 0.476 0.000 0.627 353 A CB -1.026 18.446 19.000 0.787 0.000 0.818 353 A HN 0.919 nan 8.150 nan 0.000 0.445 354 W N 0.526 122.068 121.300 0.402 0.000 2.333 354 W HA -0.211 4.435 4.660 -0.024 0.000 0.316 354 W C 1.880 178.537 176.519 0.229 0.000 1.215 354 W CA 2.057 59.583 57.345 0.302 0.000 1.278 354 W CB -0.446 29.050 29.460 0.060 0.000 1.154 354 W HN 0.376 nan 8.180 nan 0.000 0.486 355 Q N 0.809 120.585 119.800 -0.040 0.000 2.096 355 Q HA -0.216 4.110 4.340 -0.023 0.000 0.204 355 Q C 2.319 178.214 176.000 -0.175 0.000 0.982 355 Q CA 2.252 57.941 55.803 -0.190 0.000 0.850 355 Q CB -0.831 27.931 28.738 0.041 0.000 0.901 355 Q HN 0.521 nan 8.270 nan 0.000 0.422 356 I N 0.293 120.840 120.570 -0.039 0.000 2.163 356 I HA -0.278 3.878 4.170 -0.023 0.000 0.240 356 I C 2.336 178.427 176.117 -0.044 0.000 1.081 356 I CA 0.915 62.197 61.300 -0.031 0.000 1.353 356 I CB -0.303 37.710 38.000 0.020 0.000 1.054 356 I HN 0.131 nan 8.210 nan 0.000 0.407 357 L N 0.307 121.540 121.223 0.016 0.000 2.093 357 L HA -0.210 4.116 4.340 -0.023 0.000 0.208 357 L C 2.338 179.172 176.870 -0.060 0.000 1.085 357 L CA 1.398 56.255 54.840 0.028 0.000 0.755 357 L CB -0.836 41.319 42.059 0.160 0.000 0.904 357 L HN 0.349 nan 8.230 nan 0.000 0.435 358 N N 0.688 119.215 118.700 -0.289 0.000 2.104 358 N HA -0.182 4.544 4.740 -0.023 0.000 0.190 358 N C 1.764 177.154 175.510 -0.201 0.000 1.024 358 N CA 1.664 54.453 53.050 -0.435 0.000 0.853 358 N CB -0.041 37.683 38.487 -1.272 0.000 1.008 358 N HN 0.274 nan 8.380 nan 0.000 0.424 359 A N -0.096 122.613 122.820 -0.186 0.000 2.015 359 A HA 0.015 4.321 4.320 -0.023 0.000 0.219 359 A C 2.046 179.601 177.584 -0.049 0.000 1.163 359 A CA 0.897 52.875 52.037 -0.099 0.000 0.646 359 A CB -0.448 18.493 19.000 -0.098 0.000 0.806 359 A HN 0.378 nan 8.150 nan 0.000 0.448 360 L N -0.530 120.677 121.223 -0.027 0.000 2.585 360 L HA 0.061 4.387 4.340 -0.023 0.000 0.226 360 L C 1.621 178.571 176.870 0.134 0.000 1.113 360 L CA -0.166 54.700 54.840 0.043 0.000 0.876 360 L CB -0.158 41.934 42.059 0.055 0.000 1.072 360 L HN 0.565 nan 8.230 nan 0.000 0.468 361 Q N 0.000 119.847 119.800 0.079 0.000 2.315 361 Q HA 0.000 4.326 4.340 -0.023 0.000 0.214 361 Q CA 0.000 55.859 55.803 0.093 0.000 1.022 361 Q CB 0.000 28.834 28.738 0.160 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481