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 1ygy_1_B DATA FIRST_RESID 3 DATA SEQUENCE SLPVVLIADK LAPSTVAALG DQVEVRWVDG PDRDKLLAAV PEADALLVRS DATA SEQUENCE ATTVDAEVLA AAPKLKIVAR AGVGLDNVDV DAATARGVLV VNAPTSNIHS DATA SEQUENCE AAEHALALLL AASRQIPAAD ASLREHTWKR SSFSGTEIFG KTVGVVGLGR DATA SEQUENCE IGQLVAQRIA AFGAYVVAYD PYVSPARAAQ LGIELLSLDD LLARADFISV DATA SEQUENCE HLPKTPETAG LIDKEALAKT KPGVIIVNAA RGGLVDEAAL ADAITGGHVR DATA SEQUENCE AAGLDVFATE PCTDSPLFEL AQVVVTPHLG ASTAEAQDRA GTDVAESVRL DATA SEQUENCE ALAGEFVPDA VNVGGGVVNE EVAPWLDLVR KLGVLAGVLS DELPVSLSVQ DATA SEQUENCE VRGELAAEEV EVLRLSALRG LFSAVIEDAV TFVNAPALAA ERGVTAEICK DATA SEQUENCE ASESPNHRSV VDVRAVGADG SVVTVSGTLY GPQLSQKIVQ INGRHFDLRA DATA SEQUENCE QGINLIIHYV DRPGALGKIG TLLGTAGVNI QAAQLSEDAE GPGATILLRL DATA SEQUENCE DQDVPDDVRT AIAAAVDAYK LEVVDLS 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.595 174.600 -0.009 0.000 1.055 3 S CA 0.000 58.197 58.200 -0.005 0.000 1.107 3 S CB 0.000 63.197 63.200 -0.004 0.000 0.593 4 L N 3.513 124.730 121.223 -0.010 0.000 2.453 4 L HA 0.370 4.711 4.340 0.002 0.000 0.272 4 L C -1.929 174.928 176.870 -0.022 0.000 1.182 4 L CA -1.529 53.301 54.840 -0.016 0.000 0.858 4 L CB -0.160 41.889 42.059 -0.016 0.000 1.120 4 L HN 0.521 nan 8.230 nan 0.000 0.474 5 P HA 0.086 nan 4.420 nan 0.000 0.271 5 P C -0.759 176.513 177.300 -0.048 0.000 1.216 5 P CA -0.278 62.801 63.100 -0.034 0.000 0.776 5 P CB 0.722 32.401 31.700 -0.035 0.000 0.881 6 V N 3.940 123.824 119.914 -0.051 0.000 2.364 6 V HA 0.143 4.264 4.120 0.002 0.000 0.272 6 V C 0.247 176.288 176.094 -0.089 0.000 1.036 6 V CA -0.535 61.724 62.300 -0.068 0.000 0.880 6 V CB 1.399 33.189 31.823 -0.054 0.000 0.991 6 V HN 0.231 nan 8.190 nan 0.000 0.460 7 V N 6.733 126.571 119.914 -0.126 0.000 2.334 7 V HA 0.301 4.422 4.120 0.002 0.000 0.267 7 V C 0.166 176.134 176.094 -0.209 0.000 1.040 7 V CA -0.347 61.861 62.300 -0.153 0.000 0.866 7 V CB 1.268 32.992 31.823 -0.166 0.000 1.019 7 V HN 0.660 nan 8.190 nan 0.000 0.468 8 L N 6.233 127.360 121.223 -0.160 0.000 2.313 8 L HA 0.455 4.796 4.340 0.002 0.000 0.282 8 L C -0.282 176.480 176.870 -0.180 0.000 1.092 8 L CA -0.133 54.608 54.840 -0.165 0.000 0.831 8 L CB 0.951 42.958 42.059 -0.088 0.000 1.159 8 L HN 0.542 nan 8.230 nan 0.000 0.442 9 I N 4.526 124.935 120.570 -0.268 0.000 2.304 9 I HA 0.176 4.347 4.170 0.002 0.000 0.291 9 I C 0.842 176.936 176.117 -0.038 0.000 1.018 9 I CA 0.036 61.223 61.300 -0.189 0.000 1.260 9 I CB 1.702 39.499 38.000 -0.338 0.000 1.390 9 I HN 0.698 nan 8.210 nan 0.000 0.475 10 A N 4.479 127.297 122.820 -0.004 0.000 2.390 10 A HA 0.252 4.573 4.320 0.002 0.000 0.232 10 A C 0.333 177.946 177.584 0.049 0.000 1.233 10 A CA 0.206 52.262 52.037 0.031 0.000 0.907 10 A CB 0.034 19.040 19.000 0.010 0.000 0.967 10 A HN 0.616 nan 8.150 nan 0.000 0.512 11 D N -1.192 119.240 120.400 0.053 0.000 2.636 11 D HA 0.312 4.953 4.640 0.002 0.000 0.275 11 D C -0.983 175.364 176.300 0.078 0.000 1.130 11 D CA -0.535 53.496 54.000 0.053 0.000 1.031 11 D CB 1.082 41.898 40.800 0.028 0.000 1.451 11 D HN -0.050 nan 8.370 nan 0.000 0.505 12 K N 0.927 121.363 120.400 0.060 0.000 2.220 12 K HA 0.297 4.618 4.320 0.002 0.000 0.283 12 K C -0.704 175.930 176.600 0.056 0.000 1.098 12 K CA -0.201 56.125 56.287 0.065 0.000 0.928 12 K CB -0.124 32.399 32.500 0.038 0.000 1.214 12 K HN 0.106 nan 8.250 nan 0.000 0.442 13 L N 2.176 123.447 121.223 0.079 0.000 2.358 13 L HA 0.509 4.850 4.340 0.002 0.000 0.268 13 L C 0.138 177.045 176.870 0.061 0.000 1.032 13 L CA -0.448 54.426 54.840 0.057 0.000 0.805 13 L CB 1.286 43.375 42.059 0.050 0.000 1.253 13 L HN 0.557 nan 8.230 nan 0.000 0.452 14 A N 2.361 125.205 122.820 0.040 0.000 2.498 14 A HA 0.353 4.674 4.320 0.002 0.000 0.239 14 A C -1.625 175.992 177.584 0.054 0.000 1.068 14 A CA -0.609 51.450 52.037 0.037 0.000 0.766 14 A CB -0.431 18.582 19.000 0.023 0.000 1.003 14 A HN 0.685 nan 8.150 nan 0.000 0.497 15 P HA -0.136 nan 4.420 nan 0.000 0.223 15 P C 1.426 178.761 177.300 0.057 0.000 1.151 15 P CA 1.557 64.698 63.100 0.069 0.000 0.787 15 P CB -0.133 31.596 31.700 0.049 0.000 0.788 16 S N -0.688 115.035 115.700 0.038 0.000 2.420 16 S HA -0.177 4.294 4.470 0.002 0.000 0.237 16 S C 1.821 176.436 174.600 0.025 0.000 1.023 16 S CA 1.990 60.206 58.200 0.027 0.000 0.991 16 S CB -2.013 61.198 63.200 0.018 0.000 0.792 16 S HN 0.159 nan 8.310 nan 0.000 0.488 17 T N 2.213 116.784 114.554 0.029 0.000 2.643 17 T HA -0.087 4.264 4.350 0.002 0.000 0.264 17 T C 1.962 176.671 174.700 0.014 0.000 1.045 17 T CA 1.474 63.582 62.100 0.013 0.000 1.155 17 T CB -0.976 67.900 68.868 0.013 0.000 0.863 17 T HN 0.404 nan 8.240 nan 0.000 0.420 18 V N 1.721 121.669 119.914 0.056 0.000 2.343 18 V HA -0.104 4.017 4.120 0.002 0.000 0.247 18 V C 2.596 178.717 176.094 0.046 0.000 1.051 18 V CA 2.075 64.415 62.300 0.066 0.000 1.036 18 V CB -1.177 30.781 31.823 0.225 0.000 0.654 18 V HN 0.508 nan 8.190 nan 0.000 0.451 19 A N -0.017 122.833 122.820 0.050 0.000 1.933 19 A HA 0.033 4.354 4.320 0.002 0.000 0.218 19 A C 2.443 180.035 177.584 0.013 0.000 1.175 19 A CA 2.169 54.226 52.037 0.033 0.000 0.628 19 A CB -1.010 18.009 19.000 0.031 0.000 0.814 19 A HN 0.975 nan 8.150 nan 0.000 0.444 20 A N -0.921 121.902 122.820 0.005 0.000 1.968 20 A HA 0.122 4.443 4.320 0.002 0.000 0.217 20 A C 1.948 179.522 177.584 -0.017 0.000 1.169 20 A CA 1.300 53.333 52.037 -0.006 0.000 0.638 20 A CB -0.414 18.581 19.000 -0.009 0.000 0.812 20 A HN 0.365 nan 8.150 nan 0.000 0.446 21 L N -0.899 120.308 121.223 -0.026 0.000 2.012 21 L HA 0.036 4.377 4.340 0.002 0.000 0.210 21 L C 1.830 178.680 176.870 -0.033 0.000 1.073 21 L CA 1.684 56.497 54.840 -0.044 0.000 0.748 21 L CB -1.832 40.183 42.059 -0.074 0.000 0.891 21 L HN 0.719 nan 8.230 nan 0.000 0.431 22 G N -1.075 107.714 108.800 -0.018 0.000 2.562 22 G HA2 -0.366 3.595 3.960 0.002 0.000 0.250 22 G HA3 -0.366 3.595 3.960 0.002 0.000 0.250 22 G C 0.570 175.464 174.900 -0.009 0.000 1.269 22 G CA 0.307 45.403 45.100 -0.008 0.000 0.919 22 G HN 0.226 nan 8.290 nan 0.000 0.574 23 D N -0.695 119.702 120.400 -0.005 0.000 2.183 23 D HA 0.063 4.704 4.640 0.002 0.000 0.205 23 D C 2.479 178.774 176.300 -0.008 0.000 0.962 23 D CA 1.192 55.191 54.000 -0.002 0.000 0.849 23 D CB 0.015 40.815 40.800 0.000 0.000 0.978 23 D HN 0.275 nan 8.370 nan 0.000 0.488 24 Q N -0.131 119.661 119.800 -0.013 0.000 2.415 24 Q HA 0.159 4.500 4.340 0.002 0.000 0.206 24 Q C -0.241 175.746 176.000 -0.021 0.000 0.946 24 Q CA -0.022 55.772 55.803 -0.014 0.000 0.951 24 Q CB 0.668 29.398 28.738 -0.014 0.000 1.026 24 Q HN 0.103 nan 8.270 nan 0.000 0.510 25 V N 0.055 119.952 119.914 -0.028 0.000 3.102 25 V HA 0.307 4.428 4.120 0.002 0.000 0.312 25 V C -1.002 175.066 176.094 -0.044 0.000 1.135 25 V CA -1.013 61.263 62.300 -0.041 0.000 1.022 25 V CB 2.769 34.558 31.823 -0.056 0.000 1.056 25 V HN 0.072 nan 8.190 nan 0.000 0.436 26 E N 2.154 122.321 120.200 -0.056 0.000 2.114 26 E HA 0.498 4.849 4.350 0.002 0.000 0.266 26 E C -1.487 175.041 176.600 -0.121 0.000 0.896 26 E CA -0.433 55.931 56.400 -0.059 0.000 0.750 26 E CB 1.756 31.435 29.700 -0.034 0.000 1.121 26 E HN 0.446 nan 8.360 nan 0.000 0.413 27 V N 5.429 125.239 119.914 -0.174 0.000 2.488 27 V HA 0.320 4.441 4.120 0.002 0.000 0.277 27 V C 0.520 176.344 176.094 -0.449 0.000 1.046 27 V CA -0.045 62.015 62.300 -0.400 0.000 0.986 27 V CB 0.917 32.406 31.823 -0.556 0.000 0.989 27 V HN 0.691 nan 8.190 nan 0.000 0.475 28 R N 3.241 123.457 120.500 -0.473 0.000 2.892 28 R HA 0.605 4.946 4.340 0.002 0.000 0.265 28 R C -1.341 174.736 176.300 -0.372 0.000 1.025 28 R CA -0.659 55.299 56.100 -0.237 0.000 0.982 28 R CB 2.309 32.563 30.300 -0.076 0.000 1.185 28 R HN 0.623 nan 8.270 nan 0.000 0.484 29 W N 0.630 121.926 121.300 -0.006 0.000 2.962 29 W HA 0.646 5.307 4.660 0.002 0.000 0.341 29 W C -1.027 175.489 176.519 -0.005 0.000 1.155 29 W CA -0.619 56.723 57.345 -0.006 0.000 1.165 29 W CB 2.137 31.594 29.460 -0.005 0.000 1.435 29 W HN 0.237 nan 8.180 nan 0.000 0.546 30 V N 1.600 121.654 119.914 0.234 0.000 3.108 30 V HA 0.098 4.219 4.120 0.002 0.000 0.287 30 V C -1.379 174.775 176.094 0.100 0.000 1.436 30 V CA -0.500 61.878 62.300 0.129 0.000 1.001 30 V CB 2.176 34.043 31.823 0.074 0.000 1.141 30 V HN 0.493 nan 8.190 nan 0.000 0.443 31 D N 3.659 124.100 120.400 0.070 0.000 2.455 31 D HA 0.336 4.978 4.640 0.002 0.000 0.234 31 D C 1.328 177.650 176.300 0.038 0.000 1.224 31 D CA 1.047 55.077 54.000 0.050 0.000 0.999 31 D CB 0.971 41.792 40.800 0.035 0.000 1.072 31 D HN 0.765 nan 8.370 nan 0.000 0.514 32 G N 4.327 113.150 108.800 0.038 0.000 2.513 32 G HA2 -0.226 3.735 3.960 0.002 0.000 0.219 32 G HA3 -0.226 3.735 3.960 0.002 0.000 0.219 32 G C -0.590 174.321 174.900 0.020 0.000 1.160 32 G CA 0.352 45.468 45.100 0.026 0.000 0.767 32 G HN 0.487 nan 8.290 nan 0.000 0.571 33 P HA -0.018 nan 4.420 nan 0.000 0.222 33 P C 0.302 177.611 177.300 0.015 0.000 1.147 33 P CA 0.708 63.817 63.100 0.016 0.000 0.790 33 P CB 0.074 31.783 31.700 0.016 0.000 0.780 34 D N 0.688 121.098 120.400 0.016 0.000 2.344 34 D HA 0.001 4.642 4.640 0.002 0.000 0.253 34 D C 1.220 177.528 176.300 0.014 0.000 1.255 34 D CA -0.141 53.868 54.000 0.015 0.000 0.894 34 D CB 0.614 41.424 40.800 0.016 0.000 1.067 34 D HN -0.201 nan 8.370 nan 0.000 0.492 35 R N 3.008 123.515 120.500 0.011 0.000 2.096 35 R HA -0.109 4.232 4.340 0.002 0.000 0.235 35 R C 1.026 177.331 176.300 0.009 0.000 1.127 35 R CA 0.917 57.023 56.100 0.010 0.000 0.968 35 R CB -0.194 30.111 30.300 0.008 0.000 0.861 35 R HN 0.554 nan 8.270 nan 0.000 0.440 36 D N 0.534 120.940 120.400 0.010 0.000 2.123 36 D HA -0.083 4.559 4.640 0.002 0.000 0.200 36 D C 1.826 178.133 176.300 0.012 0.000 0.976 36 D CA 0.989 54.994 54.000 0.010 0.000 0.831 36 D CB -0.039 40.766 40.800 0.009 0.000 0.974 36 D HN 0.143 nan 8.370 nan 0.000 0.469 37 K N 0.276 120.685 120.400 0.015 0.000 2.026 37 K HA -0.110 4.211 4.320 0.002 0.000 0.208 37 K C 2.026 178.638 176.600 0.019 0.000 1.048 37 K CA 0.438 56.736 56.287 0.019 0.000 0.929 37 K CB -0.259 32.255 32.500 0.024 0.000 0.713 37 K HN -0.019 nan 8.250 nan 0.000 0.439 38 L N 0.796 122.029 121.223 0.017 0.000 2.012 38 L HA -0.150 4.191 4.340 0.002 0.000 0.210 38 L C 1.760 178.635 176.870 0.008 0.000 1.073 38 L CA 1.633 56.481 54.840 0.013 0.000 0.748 38 L CB -0.408 41.658 42.059 0.011 0.000 0.891 38 L HN 0.094 nan 8.230 nan 0.000 0.431 39 L N -0.462 120.765 121.223 0.007 0.000 2.275 39 L HA -0.068 4.273 4.340 0.002 0.000 0.215 39 L C 2.473 179.346 176.870 0.005 0.000 1.119 39 L CA 1.479 56.322 54.840 0.005 0.000 0.790 39 L CB -0.836 41.226 42.059 0.005 0.000 0.919 39 L HN 0.376 nan 8.230 nan 0.000 0.443 40 A N -1.233 121.592 122.820 0.008 0.000 1.975 40 A HA 0.127 4.448 4.320 0.002 0.000 0.215 40 A C 2.360 179.950 177.584 0.009 0.000 1.170 40 A CA 1.178 53.221 52.037 0.009 0.000 0.656 40 A CB -0.465 18.542 19.000 0.011 0.000 0.821 40 A HN 0.335 nan 8.150 nan 0.000 0.449 41 A N -1.122 121.704 122.820 0.010 0.000 2.044 41 A HA 0.254 4.575 4.320 0.002 0.000 0.213 41 A C 2.046 179.630 177.584 -0.001 0.000 1.169 41 A CA 1.016 53.058 52.037 0.009 0.000 0.724 41 A CB -0.590 18.421 19.000 0.018 0.000 0.840 41 A HN 0.308 nan 8.150 nan 0.000 0.463 42 V N 0.954 120.866 119.914 -0.003 0.000 2.490 42 V HA -0.121 4.001 4.120 0.002 0.000 0.250 42 V C -0.636 175.451 176.094 -0.012 0.000 1.061 42 V CA 2.329 64.623 62.300 -0.010 0.000 1.064 42 V CB -0.814 31.004 31.823 -0.008 0.000 0.670 42 V HN 0.365 nan 8.190 nan 0.000 0.461 43 P HA -0.168 nan 4.420 nan 0.000 0.218 43 P C 1.030 178.324 177.300 -0.010 0.000 1.146 43 P CA 1.409 64.505 63.100 -0.007 0.000 0.820 43 P CB -0.032 31.665 31.700 -0.004 0.000 0.778 44 E N -1.642 118.551 120.200 -0.012 0.000 2.501 44 E HA 0.293 4.644 4.350 0.002 0.000 0.201 44 E C 0.319 176.905 176.600 -0.024 0.000 1.016 44 E CA -0.297 56.094 56.400 -0.015 0.000 0.920 44 E CB 0.409 30.102 29.700 -0.012 0.000 1.023 44 E HN 0.105 nan 8.360 nan 0.000 0.474 45 A N 1.482 124.285 122.820 -0.028 0.000 2.362 45 A HA 0.171 4.493 4.320 0.002 0.000 0.276 45 A C 0.012 177.574 177.584 -0.038 0.000 1.153 45 A CA -0.432 51.581 52.037 -0.040 0.000 0.813 45 A CB 0.304 19.278 19.000 -0.043 0.000 1.081 45 A HN -0.086 nan 8.150 nan 0.000 0.507 46 D N 1.222 121.596 120.400 -0.043 0.000 2.323 46 D HA 0.347 4.988 4.640 0.002 0.000 0.209 46 D C 0.555 176.827 176.300 -0.046 0.000 0.973 46 D CA 1.673 55.649 54.000 -0.040 0.000 0.874 46 D CB 0.266 41.042 40.800 -0.039 0.000 0.930 46 D HN 0.702 nan 8.370 nan 0.000 0.521 47 A N 0.169 122.955 122.820 -0.057 0.000 2.547 47 A HA 0.621 4.942 4.320 0.002 0.000 0.297 47 A C -1.949 175.594 177.584 -0.068 0.000 1.056 47 A CA -0.733 51.267 52.037 -0.062 0.000 0.688 47 A CB 1.340 20.297 19.000 -0.070 0.000 1.282 47 A HN 0.072 nan 8.150 nan 0.000 0.400 48 L N 2.641 123.828 121.223 -0.060 0.000 2.349 48 L HA 0.767 5.108 4.340 0.002 0.000 0.278 48 L C -1.454 175.381 176.870 -0.058 0.000 0.996 48 L CA -0.303 54.502 54.840 -0.058 0.000 0.825 48 L CB 1.212 43.246 42.059 -0.041 0.000 1.243 48 L HN 0.616 nan 8.230 nan 0.000 0.412 49 L N 6.297 127.479 121.223 -0.067 0.000 2.334 49 L HA 0.888 5.229 4.340 0.002 0.000 0.276 49 L C -0.287 176.560 176.870 -0.038 0.000 1.014 49 L CA -0.994 53.812 54.840 -0.057 0.000 0.815 49 L CB 1.704 43.720 42.059 -0.072 0.000 1.268 49 L HN 0.596 nan 8.230 nan 0.000 0.428 50 V N -0.008 119.890 119.914 -0.026 0.000 3.165 50 V HA 0.635 4.756 4.120 0.002 0.000 0.309 50 V C -0.286 175.802 176.094 -0.010 0.000 1.267 50 V CA -0.747 61.545 62.300 -0.013 0.000 1.067 50 V CB 2.793 34.610 31.823 -0.010 0.000 1.082 50 V HN 0.810 nan 8.190 nan 0.000 0.451 51 R N -0.383 120.115 120.500 -0.004 0.000 2.450 51 R HA 0.425 4.766 4.340 0.002 0.000 0.149 51 R C 1.345 177.641 176.300 -0.007 0.000 1.895 51 R CA 1.060 57.156 56.100 -0.008 0.000 1.488 51 R CB 0.445 30.742 30.300 -0.005 0.000 1.316 51 R HN 0.926 nan 8.270 nan 0.000 0.474 52 S N -0.897 114.801 115.700 -0.003 0.000 2.658 52 S HA 0.196 4.667 4.470 0.002 0.000 0.277 52 S C 1.511 176.116 174.600 0.008 0.000 1.078 52 S CA 0.189 58.390 58.200 0.002 0.000 1.124 52 S CB 0.729 63.928 63.200 -0.001 0.000 1.016 52 S HN 0.326 nan 8.310 nan 0.000 0.543 53 A N 2.257 125.082 122.820 0.008 0.000 2.019 53 A HA 0.148 4.469 4.320 0.002 0.000 0.219 53 A C 1.509 179.101 177.584 0.013 0.000 1.164 53 A CA 1.818 53.862 52.037 0.012 0.000 0.644 53 A CB -0.796 18.213 19.000 0.014 0.000 0.805 53 A HN 0.649 nan 8.150 nan 0.000 0.449 54 T N -2.348 112.213 114.554 0.011 0.000 2.945 54 T HA 0.532 4.883 4.350 0.002 0.000 0.286 54 T C -0.475 174.230 174.700 0.008 0.000 1.025 54 T CA -0.249 61.858 62.100 0.010 0.000 1.039 54 T CB 1.561 70.436 68.868 0.010 0.000 1.068 54 T HN -0.004 nan 8.240 nan 0.000 0.497 55 T N 2.820 117.379 114.554 0.007 0.000 2.809 55 T HA 0.439 4.790 4.350 0.002 0.000 0.296 55 T C -0.290 174.411 174.700 0.003 0.000 1.015 55 T CA -0.501 61.602 62.100 0.006 0.000 0.954 55 T CB 0.957 69.830 68.868 0.008 0.000 0.950 55 T HN 0.561 nan 8.240 nan 0.000 0.450 56 V N 5.675 125.590 119.914 0.000 0.000 2.267 56 V HA 0.221 4.342 4.120 0.002 0.000 0.254 56 V C 0.173 176.265 176.094 -0.002 0.000 1.144 56 V CA -0.760 61.538 62.300 -0.003 0.000 0.992 56 V CB -0.648 31.171 31.823 -0.008 0.000 1.199 56 V HN 0.886 nan 8.190 nan 0.000 0.493 57 D N 3.390 123.789 120.400 -0.001 0.000 2.487 57 D HA 0.550 5.191 4.640 0.002 0.000 0.262 57 D C 1.304 177.603 176.300 -0.001 0.000 1.130 57 D CA -0.194 53.806 54.000 0.000 0.000 1.038 57 D CB 1.425 42.226 40.800 0.003 0.000 1.142 57 D HN 0.211 nan 8.370 nan 0.000 0.575 58 A N -0.399 122.421 122.820 -0.000 0.000 1.948 58 A HA -0.289 4.032 4.320 0.002 0.000 0.220 58 A C 1.944 179.528 177.584 -0.001 0.000 1.177 58 A CA 2.148 54.185 52.037 -0.001 0.000 0.636 58 A CB -1.101 17.899 19.000 0.000 0.000 0.815 58 A HN 0.781 nan 8.150 nan 0.000 0.449 59 E N -0.394 119.806 120.200 0.000 0.000 2.085 59 E HA -0.150 4.201 4.350 0.002 0.000 0.194 59 E C 1.855 178.455 176.600 -0.001 0.000 0.994 59 E CA 1.560 57.960 56.400 0.000 0.000 0.801 59 E CB -0.109 29.592 29.700 0.002 0.000 0.743 59 E HN 0.375 nan 8.360 nan 0.000 0.453 60 V N 1.054 120.967 119.914 -0.002 0.000 2.453 60 V HA -0.222 3.899 4.120 0.002 0.000 0.247 60 V C 2.349 178.440 176.094 -0.006 0.000 1.048 60 V CA 1.208 63.507 62.300 -0.003 0.000 1.049 60 V CB -0.337 31.484 31.823 -0.003 0.000 0.672 60 V HN 0.294 nan 8.190 nan 0.000 0.457 61 L N 0.250 121.469 121.223 -0.006 0.000 2.027 61 L HA -0.126 4.215 4.340 0.002 0.000 0.206 61 L C 2.812 179.678 176.870 -0.007 0.000 1.074 61 L CA 1.550 56.385 54.840 -0.008 0.000 0.745 61 L CB -1.004 41.050 42.059 -0.008 0.000 0.898 61 L HN 0.328 nan 8.230 nan 0.000 0.433 62 A N 0.546 123.363 122.820 -0.005 0.000 1.884 62 A HA -0.277 4.044 4.320 0.002 0.000 0.219 62 A C 2.305 179.887 177.584 -0.004 0.000 1.197 62 A CA 2.175 54.209 52.037 -0.004 0.000 0.637 62 A CB -0.911 18.088 19.000 -0.002 0.000 0.827 62 A HN 0.427 nan 8.150 nan 0.000 0.450 63 A N -1.484 121.334 122.820 -0.004 0.000 2.261 63 A HA 0.517 4.838 4.320 0.002 0.000 0.208 63 A C 0.950 178.531 177.584 -0.006 0.000 1.223 63 A CA 0.934 52.969 52.037 -0.004 0.000 0.833 63 A CB -0.801 18.197 19.000 -0.002 0.000 0.830 63 A HN 1.352 nan 8.150 nan 0.000 0.483 64 A N 0.505 123.320 122.820 -0.007 0.000 2.893 64 A HA 0.607 4.928 4.320 0.002 0.000 0.333 64 A C -1.631 175.947 177.584 -0.011 0.000 1.152 64 A CA -0.976 51.054 52.037 -0.010 0.000 0.782 64 A CB 0.754 19.746 19.000 -0.013 0.000 1.108 64 A HN 0.150 nan 8.150 nan 0.000 0.469 65 P HA -0.052 nan 4.420 nan 0.000 0.227 65 P C 0.944 178.237 177.300 -0.011 0.000 1.161 65 P CA 0.889 63.983 63.100 -0.009 0.000 0.788 65 P CB 0.392 32.088 31.700 -0.007 0.000 0.822 66 K N -0.586 119.806 120.400 -0.013 0.000 2.365 66 K HA 0.115 4.436 4.320 0.002 0.000 0.197 66 K C 0.969 177.557 176.600 -0.020 0.000 1.042 66 K CA -0.154 56.123 56.287 -0.016 0.000 0.987 66 K CB -0.132 32.357 32.500 -0.018 0.000 0.779 66 K HN 0.205 nan 8.250 nan 0.000 0.484 67 L N 2.383 123.594 121.223 -0.020 0.000 2.698 67 L HA -0.082 4.259 4.340 0.002 0.000 0.272 67 L C 0.837 177.693 176.870 -0.025 0.000 1.154 67 L CA 0.817 55.642 54.840 -0.024 0.000 0.964 67 L CB 0.314 42.360 42.059 -0.022 0.000 1.272 67 L HN 0.115 nan 8.230 nan 0.000 0.483 68 K N 4.412 124.794 120.400 -0.029 0.000 2.276 68 K HA 0.271 4.592 4.320 0.002 0.000 0.198 68 K C 0.275 176.852 176.600 -0.037 0.000 1.052 68 K CA 0.458 56.727 56.287 -0.030 0.000 0.984 68 K CB 0.818 33.300 32.500 -0.030 0.000 0.836 68 K HN 0.504 nan 8.250 nan 0.000 0.490 69 I N 0.631 121.176 120.570 -0.043 0.000 2.722 69 I HA 0.250 4.421 4.170 0.002 0.000 0.295 69 I C -1.739 174.350 176.117 -0.047 0.000 1.161 69 I CA -1.106 60.165 61.300 -0.049 0.000 1.032 69 I CB 2.104 40.069 38.000 -0.059 0.000 1.244 69 I HN -0.323 nan 8.210 nan 0.000 0.421 70 V N 6.727 126.614 119.914 -0.044 0.000 2.409 70 V HA 0.788 4.909 4.120 0.002 0.000 0.291 70 V C -0.065 176.003 176.094 -0.044 0.000 1.020 70 V CA -0.366 61.910 62.300 -0.041 0.000 0.848 70 V CB 1.385 33.189 31.823 -0.032 0.000 0.990 70 V HN 0.786 nan 8.190 nan 0.000 0.430 71 A N 5.702 128.495 122.820 -0.045 0.000 2.356 71 A HA 0.809 5.130 4.320 0.002 0.000 0.310 71 A C -0.446 177.115 177.584 -0.037 0.000 1.075 71 A CA -0.741 51.268 52.037 -0.046 0.000 0.746 71 A CB 1.308 20.276 19.000 -0.053 0.000 1.221 71 A HN 0.705 nan 8.150 nan 0.000 0.443 72 R N 2.604 123.085 120.500 -0.032 0.000 2.338 72 R HA 0.568 4.910 4.340 0.002 0.000 0.317 72 R C -0.249 176.035 176.300 -0.025 0.000 0.968 72 R CA -0.279 55.806 56.100 -0.025 0.000 0.849 72 R CB 1.527 31.816 30.300 -0.019 0.000 1.128 72 R HN 0.840 nan 8.270 nan 0.000 0.448 73 A N 3.296 126.102 122.820 -0.023 0.000 3.026 73 A HA 0.451 4.772 4.320 0.002 0.000 0.272 73 A C 0.135 177.707 177.584 -0.022 0.000 1.782 73 A CA 0.443 52.467 52.037 -0.021 0.000 1.451 73 A CB -0.373 18.617 19.000 -0.016 0.000 1.081 73 A HN 0.881 nan 8.150 nan 0.000 0.611 74 G N -1.044 107.742 108.800 -0.022 0.000 2.342 74 G HA2 0.375 4.336 3.960 0.002 0.000 0.297 74 G HA3 0.375 4.336 3.960 0.002 0.000 0.297 74 G C 0.072 174.963 174.900 -0.015 0.000 1.313 74 G CA 0.093 45.179 45.100 -0.022 0.000 0.830 74 G HN 0.351 nan 8.290 nan 0.000 0.506 75 V N 0.480 120.390 119.914 -0.008 0.000 2.492 75 V HA 0.305 4.427 4.120 0.002 0.000 0.241 75 V C 2.122 178.223 176.094 0.011 0.000 1.041 75 V CA 1.628 63.930 62.300 0.004 0.000 1.057 75 V CB -0.676 31.157 31.823 0.016 0.000 0.711 75 V HN 1.045 nan 8.190 nan 0.000 0.468 76 G N -0.467 108.345 108.800 0.021 0.000 2.636 76 G HA2 0.381 4.342 3.960 0.002 0.000 0.246 76 G HA3 0.381 4.342 3.960 0.002 0.000 0.246 76 G C -0.153 174.757 174.900 0.016 0.000 1.216 76 G CA -0.192 44.926 45.100 0.031 0.000 0.854 76 G HN 0.312 nan 8.290 nan 0.000 0.572 77 L N 0.346 121.580 121.223 0.019 0.000 3.431 77 L HA 0.184 4.525 4.340 0.002 0.000 0.316 77 L C 0.689 177.568 176.870 0.014 0.000 1.305 77 L CA -0.208 54.638 54.840 0.010 0.000 0.995 77 L CB 0.787 42.848 42.059 0.003 0.000 1.411 77 L HN 0.412 nan 8.230 nan 0.000 0.610 78 D N 0.955 121.369 120.400 0.024 0.000 2.310 78 D HA -0.097 4.545 4.640 0.002 0.000 0.212 78 D C 1.392 177.705 176.300 0.021 0.000 0.965 78 D CA 0.954 54.971 54.000 0.027 0.000 0.879 78 D CB 0.162 40.988 40.800 0.042 0.000 0.921 78 D HN 0.485 nan 8.370 nan 0.000 0.510 79 N N 0.155 118.865 118.700 0.016 0.000 2.235 79 N HA -0.003 4.738 4.740 0.002 0.000 0.209 79 N C -0.371 175.143 175.510 0.006 0.000 1.122 79 N CA -0.018 53.039 53.050 0.012 0.000 0.845 79 N CB 0.954 39.448 38.487 0.012 0.000 1.004 79 N HN -0.109 nan 8.380 nan 0.000 0.499 80 V N 0.908 120.824 119.914 0.004 0.000 2.588 80 V HA 0.166 4.287 4.120 0.002 0.000 0.304 80 V C -0.687 175.408 176.094 0.000 0.000 1.042 80 V CA -0.952 61.348 62.300 -0.001 0.000 0.877 80 V CB 2.155 33.975 31.823 -0.006 0.000 0.996 80 V HN 0.015 nan 8.190 nan 0.000 0.425 81 D N 3.603 124.003 120.400 -0.001 0.000 2.508 81 D HA 0.157 4.799 4.640 0.002 0.000 0.224 81 D C 1.047 177.345 176.300 -0.003 0.000 1.171 81 D CA 0.077 54.077 54.000 -0.000 0.000 1.006 81 D CB 1.235 42.035 40.800 -0.000 0.000 1.073 81 D HN 0.274 nan 8.370 nan 0.000 0.513 82 V N 3.012 122.924 119.914 -0.003 0.000 2.392 82 V HA -0.233 3.888 4.120 0.002 0.000 0.249 82 V C 1.786 177.877 176.094 -0.005 0.000 1.059 82 V CA 1.522 63.818 62.300 -0.006 0.000 1.051 82 V CB -0.257 31.563 31.823 -0.006 0.000 0.658 82 V HN 0.417 nan 8.190 nan 0.000 0.455 83 D N 0.607 121.005 120.400 -0.003 0.000 2.097 83 D HA -0.104 4.537 4.640 0.002 0.000 0.197 83 D C 2.298 178.596 176.300 -0.002 0.000 0.984 83 D CA 1.686 55.685 54.000 -0.002 0.000 0.826 83 D CB -0.501 40.299 40.800 0.000 0.000 0.973 83 D HN 0.414 nan 8.370 nan 0.000 0.460 84 A N 1.114 123.933 122.820 -0.002 0.000 1.917 84 A HA -0.162 4.159 4.320 0.002 0.000 0.219 84 A C 2.305 179.886 177.584 -0.005 0.000 1.182 84 A CA 2.662 54.697 52.037 -0.003 0.000 0.633 84 A CB -0.824 18.174 19.000 -0.003 0.000 0.819 84 A HN 0.259 nan 8.150 nan 0.000 0.448 85 A N -1.419 121.397 122.820 -0.007 0.000 1.969 85 A HA -0.016 4.306 4.320 0.002 0.000 0.218 85 A C 2.253 179.831 177.584 -0.010 0.000 1.169 85 A CA 2.095 54.125 52.037 -0.010 0.000 0.635 85 A CB -1.055 17.936 19.000 -0.014 0.000 0.810 85 A HN 0.445 nan 8.150 nan 0.000 0.445 86 T N 0.309 114.859 114.554 -0.008 0.000 2.867 86 T HA 0.045 4.396 4.350 0.002 0.000 0.268 86 T C 2.197 176.896 174.700 -0.003 0.000 1.057 86 T CA 1.209 63.306 62.100 -0.006 0.000 1.136 86 T CB -0.373 68.493 68.868 -0.004 0.000 0.874 86 T HN 0.577 nan 8.240 nan 0.000 0.466 87 A N 2.506 125.324 122.820 -0.003 0.000 1.948 87 A HA -0.152 4.169 4.320 0.002 0.000 0.220 87 A C 2.097 179.680 177.584 -0.002 0.000 1.177 87 A CA 1.156 53.193 52.037 -0.002 0.000 0.636 87 A CB -0.288 18.711 19.000 -0.001 0.000 0.815 87 A HN 0.501 nan 8.150 nan 0.000 0.449 88 R N -1.231 119.267 120.500 -0.004 0.000 2.507 88 R HA 0.305 4.646 4.340 0.002 0.000 0.298 88 R C 0.914 177.210 176.300 -0.006 0.000 0.999 88 R CA 0.485 56.582 56.100 -0.005 0.000 1.082 88 R CB -0.698 29.598 30.300 -0.006 0.000 1.246 88 R HN 0.769 nan 8.270 nan 0.000 0.553 89 G N 1.409 110.206 108.800 -0.005 0.000 2.249 89 G HA2 -0.268 3.693 3.960 0.002 0.000 0.273 89 G HA3 -0.268 3.693 3.960 0.002 0.000 0.273 89 G C 0.067 174.960 174.900 -0.012 0.000 1.036 89 G CA 0.329 45.425 45.100 -0.006 0.000 0.824 89 G HN 0.205 nan 8.290 nan 0.000 0.504 90 V N 0.905 120.810 119.914 -0.015 0.000 2.406 90 V HA 0.469 4.590 4.120 0.002 0.000 0.272 90 V C 1.001 177.078 176.094 -0.027 0.000 1.043 90 V CA -0.967 61.320 62.300 -0.021 0.000 0.915 90 V CB 1.447 33.257 31.823 -0.021 0.000 0.988 90 V HN 0.301 nan 8.190 nan 0.000 0.466 91 L N 6.010 127.211 121.223 -0.037 0.000 2.499 91 L HA 0.167 4.508 4.340 0.002 0.000 0.273 91 L C 0.070 176.911 176.870 -0.049 0.000 1.195 91 L CA 0.966 55.776 54.840 -0.050 0.000 0.882 91 L CB 0.968 42.986 42.059 -0.068 0.000 1.133 91 L HN 0.452 nan 8.230 nan 0.000 0.483 92 V N 5.122 125.007 119.914 -0.049 0.000 2.448 92 V HA 0.562 4.683 4.120 0.002 0.000 0.295 92 V C -0.260 175.801 176.094 -0.055 0.000 1.025 92 V CA -0.672 61.601 62.300 -0.045 0.000 0.859 92 V CB 1.931 33.735 31.823 -0.032 0.000 0.988 92 V HN 0.434 nan 8.190 nan 0.000 0.431 93 V N 5.352 125.233 119.914 -0.056 0.000 2.656 93 V HA 0.591 4.712 4.120 0.002 0.000 0.307 93 V C -0.459 175.606 176.094 -0.047 0.000 1.051 93 V CA -0.602 61.661 62.300 -0.062 0.000 0.893 93 V CB 2.370 34.147 31.823 -0.078 0.000 0.999 93 V HN 1.082 nan 8.190 nan 0.000 0.426 94 N N 4.030 122.705 118.700 -0.042 0.000 2.725 94 N HA 0.694 5.435 4.740 0.002 0.000 0.312 94 N C -0.511 174.979 175.510 -0.034 0.000 1.295 94 N CA -0.476 52.555 53.050 -0.032 0.000 0.914 94 N CB 1.818 40.292 38.487 -0.021 0.000 1.177 94 N HN 0.650 nan 8.380 nan 0.000 0.601 95 A N 0.103 122.906 122.820 -0.027 0.000 2.786 95 A HA 0.410 4.732 4.320 0.002 0.000 0.346 95 A C -1.778 175.793 177.584 -0.022 0.000 1.265 95 A CA -1.297 50.723 52.037 -0.027 0.000 0.858 95 A CB 0.385 19.369 19.000 -0.025 0.000 1.118 95 A HN 0.654 nan 8.150 nan 0.000 0.482 96 P HA -0.117 nan 4.420 nan 0.000 0.221 96 P C 1.083 178.374 177.300 -0.015 0.000 1.150 96 P CA 1.810 64.902 63.100 -0.013 0.000 0.800 96 P CB 0.070 31.764 31.700 -0.011 0.000 0.787 97 T N -4.385 110.155 114.554 -0.023 0.000 3.085 97 T HA 0.117 4.468 4.350 0.002 0.000 0.264 97 T C 1.573 176.240 174.700 -0.054 0.000 1.019 97 T CA 0.385 62.461 62.100 -0.039 0.000 0.910 97 T CB -0.837 68.007 68.868 -0.041 0.000 1.059 97 T HN 0.096 nan 8.240 nan 0.000 0.542 98 S N 1.366 117.045 115.700 -0.035 0.000 2.474 98 S HA -0.063 4.408 4.470 0.002 0.000 0.235 98 S C 1.816 176.399 174.600 -0.028 0.000 0.997 98 S CA 0.641 58.825 58.200 -0.028 0.000 0.949 98 S CB -0.632 62.558 63.200 -0.018 0.000 0.766 98 S HN 0.415 nan 8.310 nan 0.000 0.517 99 N N 2.219 120.900 118.700 -0.031 0.000 2.300 99 N HA 0.073 4.814 4.740 0.002 0.000 0.179 99 N C 1.659 177.150 175.510 -0.031 0.000 1.016 99 N CA 1.207 54.247 53.050 -0.017 0.000 0.876 99 N CB -0.524 37.961 38.487 -0.003 0.000 0.979 99 N HN 0.768 nan 8.380 nan 0.000 0.432 100 I N -1.425 119.079 120.570 -0.111 0.000 2.127 100 I HA -0.283 3.888 4.170 0.002 0.000 0.241 100 I C 1.759 177.814 176.117 -0.104 0.000 1.075 100 I CA 1.537 62.743 61.300 -0.158 0.000 1.334 100 I CB -0.711 37.118 38.000 -0.285 0.000 1.040 100 I HN 0.102 nan 8.210 nan 0.000 0.405 101 H N 1.119 120.209 119.070 0.034 0.000 2.299 101 H HA -0.023 4.534 4.556 0.002 0.000 0.302 101 H C 2.738 178.095 175.328 0.049 0.000 1.078 101 H CA 1.655 57.726 56.048 0.038 0.000 1.323 101 H CB -0.554 29.225 29.762 0.029 0.000 1.381 101 H HN 0.374 nan 8.280 nan 0.000 0.498 102 S N 0.454 116.249 115.700 0.160 0.000 2.374 102 S HA -0.170 4.301 4.470 0.002 0.000 0.227 102 S C 2.382 177.054 174.600 0.121 0.000 1.037 102 S CA 1.155 59.419 58.200 0.107 0.000 1.024 102 S CB -0.260 62.973 63.200 0.054 0.000 0.861 102 S HN 0.573 nan 8.310 nan 0.000 0.456 103 A N 0.987 123.874 122.820 0.112 0.000 1.929 103 A HA 0.268 4.589 4.320 0.002 0.000 0.216 103 A C 2.302 179.992 177.584 0.177 0.000 1.176 103 A CA 1.490 53.614 52.037 0.146 0.000 0.628 103 A CB -0.903 18.167 19.000 0.117 0.000 0.816 103 A HN 0.507 nan 8.150 nan 0.000 0.444 104 A N 0.125 123.030 122.820 0.141 0.000 1.873 104 A HA -0.147 4.174 4.320 0.002 0.000 0.215 104 A C 1.882 179.548 177.584 0.137 0.000 1.186 104 A CA 1.602 53.715 52.037 0.127 0.000 0.616 104 A CB -0.537 18.526 19.000 0.105 0.000 0.823 104 A HN 0.602 nan 8.150 nan 0.000 0.442 105 E N -1.466 118.823 120.200 0.149 0.000 2.110 105 E HA -0.227 4.124 4.350 0.002 0.000 0.193 105 E C 1.941 178.638 176.600 0.162 0.000 0.988 105 E CA 1.334 57.817 56.400 0.139 0.000 0.804 105 E CB -0.233 29.545 29.700 0.129 0.000 0.745 105 E HN 0.793 nan 8.360 nan 0.000 0.458 106 H N 0.052 119.165 119.070 0.071 0.000 2.462 106 H HA 0.112 4.669 4.556 0.002 0.000 0.292 106 H C 1.779 177.142 175.328 0.059 0.000 1.049 106 H CA 1.166 57.252 56.048 0.062 0.000 1.334 106 H CB 0.016 29.818 29.762 0.068 0.000 1.404 106 H HN 0.165 nan 8.280 nan 0.000 0.544 107 A N 0.392 123.262 122.820 0.084 0.000 1.930 107 A HA -0.061 4.260 4.320 0.002 0.000 0.217 107 A C 2.246 179.817 177.584 -0.022 0.000 1.175 107 A CA 0.984 53.041 52.037 0.033 0.000 0.627 107 A CB -0.483 18.627 19.000 0.183 0.000 0.815 107 A HN 0.371 nan 8.150 nan 0.000 0.443 108 L N -0.655 120.566 121.223 -0.004 0.000 2.023 108 L HA -0.133 4.208 4.340 0.002 0.000 0.205 108 L C 3.111 179.935 176.870 -0.078 0.000 1.073 108 L CA 1.894 56.700 54.840 -0.057 0.000 0.745 108 L CB -1.658 40.395 42.059 -0.010 0.000 0.900 108 L HN 0.452 nan 8.230 nan 0.000 0.435 109 A N 0.039 122.835 122.820 -0.040 0.000 1.915 109 A HA -0.265 4.056 4.320 0.002 0.000 0.220 109 A C 2.334 179.849 177.584 -0.115 0.000 1.198 109 A CA 2.058 54.064 52.037 -0.052 0.000 0.647 109 A CB -0.824 18.178 19.000 0.003 0.000 0.825 109 A HN 0.429 nan 8.150 nan 0.000 0.456 110 L N -1.482 119.626 121.223 -0.193 0.000 2.131 110 L HA -0.036 4.305 4.340 0.002 0.000 0.206 110 L C 2.553 179.374 176.870 -0.082 0.000 1.087 110 L CA 0.898 55.636 54.840 -0.169 0.000 0.767 110 L CB -0.302 41.618 42.059 -0.231 0.000 0.917 110 L HN 0.504 nan 8.230 nan 0.000 0.441 111 L N -0.377 120.801 121.223 -0.075 0.000 2.017 111 L HA -0.251 4.090 4.340 0.002 0.000 0.208 111 L C 2.423 179.275 176.870 -0.030 0.000 1.073 111 L CA 1.510 56.331 54.840 -0.031 0.000 0.745 111 L CB -0.072 41.933 42.059 -0.090 0.000 0.894 111 L HN 0.178 nan 8.230 nan 0.000 0.432 112 L N -0.657 120.512 121.223 -0.091 0.000 2.056 112 L HA -0.158 4.183 4.340 0.002 0.000 0.207 112 L C 2.740 179.594 176.870 -0.027 0.000 1.078 112 L CA 1.112 55.908 54.840 -0.072 0.000 0.749 112 L CB -0.716 41.292 42.059 -0.086 0.000 0.901 112 L HN 0.314 nan 8.230 nan 0.000 0.433 113 A N -0.278 122.522 122.820 -0.032 0.000 2.015 113 A HA -0.079 4.242 4.320 0.002 0.000 0.219 113 A C 2.430 180.011 177.584 -0.006 0.000 1.163 113 A CA 1.581 53.604 52.037 -0.024 0.000 0.646 113 A CB -0.524 18.458 19.000 -0.029 0.000 0.806 113 A HN 0.397 nan 8.150 nan 0.000 0.448 114 A N -1.178 121.646 122.820 0.007 0.000 1.975 114 A HA 0.112 4.433 4.320 0.002 0.000 0.215 114 A C 2.325 179.938 177.584 0.049 0.000 1.170 114 A CA 1.513 53.567 52.037 0.028 0.000 0.656 114 A CB -0.469 18.548 19.000 0.029 0.000 0.821 114 A HN 0.389 nan 8.150 nan 0.000 0.449 115 S N -0.409 115.335 115.700 0.074 0.000 2.406 115 S HA -0.020 4.451 4.470 0.002 0.000 0.228 115 S C 1.685 176.329 174.600 0.073 0.000 1.020 115 S CA 0.754 59.024 58.200 0.115 0.000 0.965 115 S CB -0.069 63.245 63.200 0.189 0.000 0.798 115 S HN 0.453 nan 8.310 nan 0.000 0.488 116 R N 0.794 121.316 120.500 0.036 0.000 2.432 116 R HA 0.264 4.605 4.340 0.002 0.000 0.260 116 R C -0.129 176.158 176.300 -0.022 0.000 0.935 116 R CA -0.033 56.072 56.100 0.008 0.000 1.080 116 R CB -0.570 29.720 30.300 -0.017 0.000 1.155 116 R HN 0.470 nan 8.270 nan 0.000 0.531 117 Q N 0.561 120.366 119.800 0.009 0.000 2.457 117 Q HA -0.193 4.148 4.340 0.002 0.000 0.283 117 Q C 0.833 176.781 176.000 -0.087 0.000 1.234 117 Q CA 0.475 56.289 55.803 0.019 0.000 0.877 117 Q CB -1.354 27.475 28.738 0.151 0.000 1.250 117 Q HN 0.182 nan 8.270 nan 0.000 0.481 118 I N -0.195 120.320 120.570 -0.091 0.000 2.091 118 I HA -0.198 3.973 4.170 0.002 0.000 0.239 118 I C -0.412 175.634 176.117 -0.118 0.000 1.061 118 I CA 1.947 63.170 61.300 -0.129 0.000 1.317 118 I CB -2.246 35.707 38.000 -0.078 0.000 1.031 118 I HN 0.216 nan 8.210 nan 0.000 0.401 119 P HA -0.186 nan 4.420 nan 0.000 0.216 119 P C 1.639 178.921 177.300 -0.031 0.000 1.157 119 P CA 2.423 65.501 63.100 -0.037 0.000 0.880 119 P CB -0.048 31.645 31.700 -0.010 0.000 0.791 120 A N -0.857 121.968 122.820 0.008 0.000 2.014 120 A HA 0.024 4.345 4.320 0.002 0.000 0.218 120 A C 2.233 179.860 177.584 0.071 0.000 1.163 120 A CA 1.720 53.818 52.037 0.103 0.000 0.652 120 A CB -1.354 17.785 19.000 0.232 0.000 0.808 120 A HN 0.204 nan 8.150 nan 0.000 0.449 121 A N -0.361 122.280 122.820 -0.298 0.000 1.930 121 A HA -0.112 4.209 4.320 0.002 0.000 0.215 121 A C 1.934 179.314 177.584 -0.340 0.000 1.176 121 A CA 1.542 53.117 52.037 -0.770 0.000 0.632 121 A CB -0.412 17.855 19.000 -1.220 0.000 0.819 121 A HN 0.540 nan 8.150 nan 0.000 0.445 122 D N 0.404 120.676 120.400 -0.213 0.000 2.144 122 D HA -0.066 4.575 4.640 0.002 0.000 0.200 122 D C 2.032 178.283 176.300 -0.083 0.000 0.978 122 D CA 1.280 55.203 54.000 -0.129 0.000 0.833 122 D CB -0.047 40.697 40.800 -0.092 0.000 0.961 122 D HN 0.306 nan 8.370 nan 0.000 0.470 123 A N 0.760 123.548 122.820 -0.054 0.000 1.902 123 A HA -0.167 4.154 4.320 0.002 0.000 0.217 123 A C 2.449 180.020 177.584 -0.021 0.000 1.181 123 A CA 2.384 54.404 52.037 -0.028 0.000 0.623 123 A CB -0.710 18.291 19.000 0.001 0.000 0.818 123 A HN 0.426 nan 8.150 nan 0.000 0.443 124 S N -0.202 115.510 115.700 0.020 0.000 2.368 124 S HA -0.122 4.350 4.470 0.002 0.000 0.225 124 S C 1.723 176.324 174.600 0.002 0.000 1.030 124 S CA 1.413 59.644 58.200 0.052 0.000 0.999 124 S CB -0.586 62.714 63.200 0.166 0.000 0.844 124 S HN 0.216 nan 8.310 nan 0.000 0.459 125 L N 2.364 123.570 121.223 -0.028 0.000 2.042 125 L HA 0.004 4.345 4.340 0.002 0.000 0.210 125 L C 2.794 179.576 176.870 -0.147 0.000 1.076 125 L CA 1.572 56.394 54.840 -0.031 0.000 0.749 125 L CB -1.180 40.865 42.059 -0.024 0.000 0.893 125 L HN 0.367 nan 8.230 nan 0.000 0.432 126 R N 0.270 120.670 120.500 -0.165 0.000 2.148 126 R HA -0.109 4.232 4.340 0.002 0.000 0.227 126 R C 1.048 177.055 176.300 -0.487 0.000 1.103 126 R CA 1.008 56.948 56.100 -0.266 0.000 0.983 126 R CB -0.295 29.926 30.300 -0.132 0.000 0.874 126 R HN 0.619 nan 8.270 nan 0.000 0.451 127 E N 0.398 120.422 120.200 -0.294 0.000 2.336 127 E HA 0.016 4.367 4.350 0.002 0.000 0.214 127 E C -0.942 175.608 176.600 -0.084 0.000 1.144 127 E CA -0.440 55.847 56.400 -0.189 0.000 1.294 127 E CB -0.551 29.136 29.700 -0.020 0.000 1.263 127 E HN 0.369 nan 8.360 nan 0.000 0.439 128 H N 0.300 119.413 119.070 0.072 0.000 2.527 128 H HA -0.201 4.356 4.556 0.002 0.000 0.321 128 H C -0.286 175.106 175.328 0.107 0.000 1.092 128 H CA 1.229 57.330 56.048 0.087 0.000 1.118 128 H CB -2.040 27.760 29.762 0.064 0.000 1.536 128 H HN 0.553 nan 8.280 nan 0.000 0.407 129 T N -3.322 111.335 114.554 0.171 0.000 2.916 129 T HA 0.336 4.688 4.350 0.002 0.000 0.292 129 T C -0.743 174.116 174.700 0.265 0.000 1.055 129 T CA -1.045 61.171 62.100 0.193 0.000 1.009 129 T CB 2.210 71.157 68.868 0.132 0.000 1.118 129 T HN 0.448 nan 8.240 nan 0.000 0.497 130 W N 3.020 124.363 121.300 0.072 0.000 2.351 130 W HA 0.439 5.100 4.660 0.001 0.000 0.320 130 W C -0.637 175.938 176.519 0.094 0.000 0.947 130 W CA -0.878 56.514 57.345 0.079 0.000 1.565 130 W CB 0.835 30.331 29.460 0.061 0.000 1.409 130 W HN 0.798 nan 8.180 nan 0.000 0.399 131 K N 3.031 123.409 120.400 -0.038 0.000 2.811 131 K HA 0.039 4.360 4.320 0.002 0.000 0.217 131 K C 1.873 178.439 176.600 -0.056 0.000 1.115 131 K CA -0.186 56.085 56.287 -0.027 0.000 1.179 131 K CB 0.132 32.624 32.500 -0.014 0.000 0.994 131 K HN 0.358 nan 8.250 nan 0.000 0.464 132 R N 0.665 120.972 120.500 -0.322 0.000 2.140 132 R HA -0.220 4.121 4.340 0.002 0.000 0.250 132 R C 1.626 177.923 176.300 -0.004 0.000 1.150 132 R CA 2.512 58.477 56.100 -0.224 0.000 0.966 132 R CB -0.250 29.826 30.300 -0.373 0.000 0.869 132 R HN 0.300 nan 8.270 nan 0.000 0.445 133 S N -0.925 114.764 115.700 -0.019 0.000 2.555 133 S HA 0.010 4.481 4.470 0.002 0.000 0.230 133 S C 1.437 175.982 174.600 -0.091 0.000 0.978 133 S CA 0.946 59.138 58.200 -0.013 0.000 0.934 133 S CB 0.307 63.516 63.200 0.015 0.000 0.766 133 S HN 0.354 nan 8.310 nan 0.000 0.533 134 S N 0.413 115.976 115.700 -0.228 0.000 2.524 134 S HA 0.367 4.838 4.470 0.002 0.000 0.216 134 S C -0.007 174.254 174.600 -0.564 0.000 0.987 134 S CA -0.311 57.625 58.200 -0.439 0.000 0.909 134 S CB -0.208 62.621 63.200 -0.617 0.000 0.781 134 S HN 0.546 nan 8.310 nan 0.000 0.521 135 F N 1.515 121.425 119.950 -0.068 0.000 2.399 135 F HA 0.625 5.153 4.527 0.002 0.000 0.328 135 F C 0.701 176.477 175.800 -0.041 0.000 1.084 135 F CA -0.681 57.284 58.000 -0.059 0.000 1.053 135 F CB 1.430 40.380 39.000 -0.083 0.000 1.209 135 F HN -0.145 nan 8.300 nan 0.000 0.502 136 S N 1.039 116.837 115.700 0.164 0.000 2.357 136 S HA 0.465 4.936 4.470 0.002 0.000 0.209 136 S C -0.310 174.338 174.600 0.079 0.000 0.981 136 S CA -0.599 57.653 58.200 0.087 0.000 1.106 136 S CB -0.109 63.114 63.200 0.040 0.000 1.266 136 S HN 1.004 nan 8.310 nan 0.000 0.410 137 G N 2.017 110.863 108.800 0.077 0.000 2.621 137 G HA2 0.519 4.480 3.960 0.002 0.000 0.271 137 G HA3 0.519 4.480 3.960 0.002 0.000 0.271 137 G C -0.420 174.524 174.900 0.073 0.000 1.236 137 G CA -0.198 44.945 45.100 0.072 0.000 0.958 137 G HN 0.582 nan 8.290 nan 0.000 0.512 138 T N 0.235 114.848 114.554 0.099 0.000 2.797 138 T HA 0.365 4.716 4.350 0.002 0.000 0.279 138 T C -0.222 174.602 174.700 0.206 0.000 0.991 138 T CA -0.324 61.858 62.100 0.138 0.000 0.979 138 T CB 1.808 70.745 68.868 0.115 0.000 0.943 138 T HN 0.539 nan 8.240 nan 0.000 0.444 139 E N 2.345 122.661 120.200 0.193 0.000 2.301 139 E HA 0.331 4.682 4.350 0.002 0.000 0.275 139 E C 0.398 177.137 176.600 0.230 0.000 1.030 139 E CA -0.342 56.169 56.400 0.184 0.000 0.852 139 E CB 0.752 30.550 29.700 0.163 0.000 1.060 139 E HN 0.570 nan 8.360 nan 0.000 0.401 140 I N 3.335 123.969 120.570 0.107 0.000 2.731 140 I HA -0.015 4.156 4.170 0.002 0.000 0.260 140 I C 0.894 177.037 176.117 0.043 0.000 1.138 140 I CA -0.183 61.065 61.300 -0.088 0.000 1.461 140 I CB 0.110 37.918 38.000 -0.320 0.000 1.128 140 I HN 0.539 nan 8.210 nan 0.000 0.438 141 F N 2.717 122.672 119.950 0.009 0.000 2.604 141 F HA 0.146 4.674 4.527 0.002 0.000 0.393 141 F C 1.315 177.109 175.800 -0.011 0.000 1.043 141 F CA 0.851 58.851 58.000 0.001 0.000 1.227 141 F CB 0.095 39.104 39.000 0.016 0.000 1.016 141 F HN 0.305 nan 8.300 nan 0.000 0.556 142 G N 3.625 111.936 108.800 -0.816 0.000 2.205 142 G HA2 -0.271 3.690 3.960 0.002 0.000 0.261 142 G HA3 -0.271 3.690 3.960 0.002 0.000 0.261 142 G C 0.568 175.335 174.900 -0.221 0.000 0.980 142 G CA 0.240 44.920 45.100 -0.700 0.000 0.632 142 G HN 0.624 nan 8.290 nan 0.000 0.533 143 K N 0.521 120.865 120.400 -0.094 0.000 2.118 143 K HA 0.535 4.856 4.320 0.002 0.000 0.240 143 K C 0.227 176.889 176.600 0.104 0.000 1.035 143 K CA 0.017 56.354 56.287 0.084 0.000 0.899 143 K CB 0.259 32.912 32.500 0.255 0.000 1.085 143 K HN 0.101 nan 8.250 nan 0.000 0.498 144 T N 1.050 115.711 114.554 0.178 0.000 2.749 144 T HA 0.319 4.670 4.350 0.002 0.000 0.287 144 T C -0.435 174.372 174.700 0.179 0.000 0.970 144 T CA -0.572 61.635 62.100 0.179 0.000 0.980 144 T CB 0.842 69.801 68.868 0.153 0.000 0.924 144 T HN 0.095 nan 8.240 nan 0.000 0.456 145 V N 3.190 123.184 119.914 0.134 0.000 2.398 145 V HA 0.689 4.810 4.120 0.002 0.000 0.286 145 V C 0.758 176.922 176.094 0.116 0.000 1.026 145 V CA -0.808 61.571 62.300 0.130 0.000 0.868 145 V CB 1.724 33.572 31.823 0.041 0.000 0.982 145 V HN 0.981 nan 8.190 nan 0.000 0.443 146 G N 3.547 112.424 108.800 0.127 0.000 2.335 146 G HA2 0.556 4.517 3.960 0.002 0.000 0.314 146 G HA3 0.556 4.517 3.960 0.002 0.000 0.314 146 G C -0.878 174.098 174.900 0.125 0.000 1.129 146 G CA -0.332 44.836 45.100 0.114 0.000 0.912 146 G HN 0.537 nan 8.290 nan 0.000 0.443 147 V N 3.344 123.333 119.914 0.126 0.000 2.347 147 V HA 0.263 4.385 4.120 0.002 0.000 0.280 147 V C -0.007 176.190 176.094 0.171 0.000 1.021 147 V CA -0.664 61.730 62.300 0.157 0.000 0.847 147 V CB 1.527 33.413 31.823 0.104 0.000 0.990 147 V HN 0.494 nan 8.190 nan 0.000 0.444 148 V N 4.636 124.670 119.914 0.199 0.000 2.333 148 V HA 0.828 4.949 4.120 0.002 0.000 0.274 148 V C 0.640 176.848 176.094 0.191 0.000 1.028 148 V CA 0.330 62.752 62.300 0.203 0.000 0.851 148 V CB 0.605 32.533 31.823 0.174 0.000 1.000 148 V HN 1.267 nan 8.190 nan 0.000 0.456 149 G N 4.760 113.642 108.800 0.135 0.000 3.209 149 G HA2 -0.114 3.848 3.960 0.002 0.000 0.686 149 G HA3 -0.114 3.848 3.960 0.002 0.000 0.686 149 G C -0.804 174.141 174.900 0.076 0.000 1.065 149 G CA -0.799 44.358 45.100 0.095 0.000 0.812 149 G HN 0.687 nan 8.290 nan 0.000 0.573 150 L N 2.901 124.138 121.223 0.024 0.000 3.083 150 L HA 0.409 4.751 4.340 0.002 0.000 0.286 150 L C 1.565 178.439 176.870 0.007 0.000 1.307 150 L CA -0.021 54.821 54.840 0.003 0.000 0.897 150 L CB 0.287 42.342 42.059 -0.008 0.000 1.306 150 L HN 0.862 nan 8.230 nan 0.000 0.569 151 G N -0.290 108.522 108.800 0.021 0.000 2.583 151 G HA2 0.043 4.004 3.960 0.002 0.000 0.275 151 G HA3 0.043 4.004 3.960 0.002 0.000 0.275 151 G C 0.814 175.714 174.900 -0.000 0.000 1.342 151 G CA -0.189 44.923 45.100 0.020 0.000 1.030 151 G HN 0.247 nan 8.290 nan 0.000 0.520 152 R N -0.739 119.762 120.500 0.002 0.000 2.073 152 R HA 0.009 4.350 4.340 0.002 0.000 0.234 152 R C 2.580 178.858 176.300 -0.037 0.000 1.134 152 R CA 1.292 57.386 56.100 -0.010 0.000 0.952 152 R CB -0.861 29.434 30.300 -0.008 0.000 0.850 152 R HN 0.586 nan 8.270 nan 0.000 0.433 153 I N -0.367 120.182 120.570 -0.034 0.000 2.194 153 I HA -0.238 3.933 4.170 0.002 0.000 0.246 153 I C 2.256 178.239 176.117 -0.225 0.000 1.093 153 I CA 1.763 63.029 61.300 -0.057 0.000 1.355 153 I CB -0.653 37.369 38.000 0.036 0.000 1.046 153 I HN 0.399 nan 8.210 nan 0.000 0.413 154 G N -0.154 108.462 108.800 -0.308 0.000 2.421 154 G HA2 -0.243 3.718 3.960 0.002 0.000 0.216 154 G HA3 -0.243 3.718 3.960 0.002 0.000 0.216 154 G C 1.522 176.282 174.900 -0.233 0.000 1.171 154 G CA 0.435 45.228 45.100 -0.511 0.000 0.775 154 G HN 0.423 nan 8.290 nan 0.000 0.543 155 Q N -0.123 119.612 119.800 -0.108 0.000 2.112 155 Q HA -0.060 4.281 4.340 0.002 0.000 0.206 155 Q C 2.657 178.636 176.000 -0.036 0.000 0.987 155 Q CA 1.088 56.863 55.803 -0.046 0.000 0.858 155 Q CB -0.334 28.398 28.738 -0.010 0.000 0.905 155 Q HN 0.439 nan 8.270 nan 0.000 0.420 156 L N -0.069 121.131 121.223 -0.039 0.000 2.027 156 L HA -0.161 4.180 4.340 0.002 0.000 0.206 156 L C 2.451 179.318 176.870 -0.006 0.000 1.074 156 L CA 0.714 55.558 54.840 0.006 0.000 0.745 156 L CB -0.593 41.490 42.059 0.041 0.000 0.898 156 L HN 0.100 nan 8.230 nan 0.000 0.433 157 V N 0.520 120.390 119.914 -0.073 0.000 2.278 157 V HA -0.375 3.746 4.120 0.002 0.000 0.251 157 V C 2.791 178.867 176.094 -0.028 0.000 1.062 157 V CA 2.107 64.369 62.300 -0.063 0.000 1.038 157 V CB -0.943 30.776 31.823 -0.174 0.000 0.646 157 V HN 0.524 nan 8.190 nan 0.000 0.447 158 A N -1.181 121.613 122.820 -0.044 0.000 1.933 158 A HA -0.256 4.065 4.320 0.002 0.000 0.218 158 A C 2.174 179.770 177.584 0.021 0.000 1.175 158 A CA 1.791 53.825 52.037 -0.005 0.000 0.628 158 A CB -0.423 18.576 19.000 -0.002 0.000 0.814 158 A HN 0.652 nan 8.150 nan 0.000 0.444 159 Q N -0.831 118.984 119.800 0.025 0.000 2.079 159 Q HA -0.161 4.180 4.340 0.002 0.000 0.200 159 Q C 2.341 178.378 176.000 0.062 0.000 0.974 159 Q CA 1.467 57.295 55.803 0.041 0.000 0.840 159 Q CB -0.172 28.590 28.738 0.041 0.000 0.898 159 Q HN 0.609 nan 8.270 nan 0.000 0.430 160 R N 0.360 120.905 120.500 0.075 0.000 2.081 160 R HA -0.088 4.253 4.340 0.002 0.000 0.235 160 R C 2.242 178.672 176.300 0.217 0.000 1.131 160 R CA 1.099 57.278 56.100 0.132 0.000 0.960 160 R CB -0.160 30.217 30.300 0.129 0.000 0.856 160 R HN 0.205 nan 8.270 nan 0.000 0.436 161 I N 0.413 121.055 120.570 0.121 0.000 2.394 161 I HA -0.178 3.993 4.170 0.002 0.000 0.251 161 I C 2.172 178.370 176.117 0.136 0.000 1.136 161 I CA 1.169 62.521 61.300 0.086 0.000 1.425 161 I CB -0.993 36.977 38.000 -0.051 0.000 1.079 161 I HN 0.205 nan 8.210 nan 0.000 0.425 162 A N 0.722 123.593 122.820 0.085 0.000 2.024 162 A HA -0.127 4.194 4.320 0.002 0.000 0.220 162 A C 2.470 180.088 177.584 0.058 0.000 1.164 162 A CA 1.725 53.789 52.037 0.045 0.000 0.643 162 A CB -0.508 18.511 19.000 0.032 0.000 0.806 162 A HN 0.423 nan 8.150 nan 0.000 0.451 163 A N -1.444 121.431 122.820 0.091 0.000 2.067 163 A HA 0.187 4.508 4.320 0.002 0.000 0.217 163 A C 1.419 178.955 177.584 -0.080 0.000 1.156 163 A CA 0.643 52.672 52.037 -0.014 0.000 0.683 163 A CB -0.621 18.332 19.000 -0.078 0.000 0.808 163 A HN 0.437 nan 8.150 nan 0.000 0.455 164 F N 0.216 120.153 119.950 -0.022 0.000 2.802 164 F HA 0.276 4.805 4.527 0.002 0.000 0.302 164 F C 1.832 177.670 175.800 0.063 0.000 1.211 164 F CA 0.504 58.508 58.000 0.007 0.000 1.431 164 F CB -0.573 38.399 39.000 -0.048 0.000 1.114 164 F HN 0.334 nan 8.300 nan 0.000 0.567 165 G N 0.363 109.239 108.800 0.126 0.000 2.179 165 G HA2 -0.147 3.814 3.960 0.002 0.000 0.257 165 G HA3 -0.147 3.814 3.960 0.002 0.000 0.257 165 G C 0.306 174.975 174.900 -0.385 0.000 1.010 165 G CA 0.011 45.086 45.100 -0.042 0.000 0.736 165 G HN 0.704 nan 8.290 nan 0.000 0.513 166 A N -0.632 122.036 122.820 -0.252 0.000 2.304 166 A HA 0.777 5.098 4.320 0.002 0.000 0.301 166 A C -0.063 177.306 177.584 -0.358 0.000 1.132 166 A CA -0.607 51.234 52.037 -0.326 0.000 0.819 166 A CB 0.604 19.505 19.000 -0.165 0.000 1.094 166 A HN 0.591 nan 8.150 nan 0.000 0.492 167 Y N 0.554 120.825 120.300 -0.047 0.000 2.299 167 Y HA 0.433 4.984 4.550 0.002 0.000 0.326 167 Y C 0.296 176.196 175.900 0.000 0.000 1.164 167 Y CA -0.413 57.674 58.100 -0.022 0.000 1.234 167 Y CB 1.089 39.535 38.460 -0.024 0.000 1.219 167 Y HN 0.300 nan 8.280 nan 0.000 0.497 168 V N 4.746 124.751 119.914 0.152 0.000 2.384 168 V HA 0.515 4.636 4.120 0.002 0.000 0.287 168 V C -0.252 175.900 176.094 0.097 0.000 1.020 168 V CA -0.906 61.453 62.300 0.099 0.000 0.850 168 V CB 1.182 33.044 31.823 0.064 0.000 0.987 168 V HN 0.649 nan 8.190 nan 0.000 0.436 169 V N 2.102 122.072 119.914 0.092 0.000 2.881 169 V HA 1.082 5.203 4.120 0.002 0.000 0.316 169 V C -0.039 176.107 176.094 0.087 0.000 1.070 169 V CA -0.640 61.708 62.300 0.081 0.000 0.976 169 V CB 1.689 33.558 31.823 0.076 0.000 1.038 169 V HN 1.197 nan 8.190 nan 0.000 0.446 170 A N 2.107 124.980 122.820 0.089 0.000 2.594 170 A HA 0.739 5.061 4.320 0.002 0.000 0.295 170 A C -1.811 175.858 177.584 0.142 0.000 1.071 170 A CA -0.589 51.511 52.037 0.104 0.000 0.685 170 A CB 1.729 20.768 19.000 0.065 0.000 1.285 170 A HN 1.599 nan 8.150 nan 0.000 0.405 171 Y N 1.945 122.266 120.300 0.035 0.000 2.356 171 Y HA 0.636 5.187 4.550 0.002 0.000 0.334 171 Y C -0.923 174.996 175.900 0.032 0.000 0.958 171 Y CA -0.862 57.253 58.100 0.025 0.000 1.196 171 Y CB 1.143 39.618 38.460 0.025 0.000 1.137 171 Y HN 0.638 nan 8.280 nan 0.000 0.485 172 D N 8.378 128.462 120.400 -0.527 0.000 2.300 172 D HA 0.197 4.838 4.640 0.002 0.000 0.218 172 D C -2.661 173.397 176.300 -0.403 0.000 1.326 172 D CA -1.230 52.455 54.000 -0.525 0.000 0.942 172 D CB 2.168 42.847 40.800 -0.202 0.000 1.495 172 D HN 0.308 nan 8.370 nan 0.000 0.545 173 P HA 0.105 nan 4.420 nan 0.000 0.241 173 P C 0.437 177.382 177.300 -0.592 0.000 1.191 173 P CA 0.489 63.291 63.100 -0.497 0.000 0.771 173 P CB 0.059 31.420 31.700 -0.565 0.000 0.929 174 Y N -1.847 118.386 120.300 -0.112 0.000 2.481 174 Y HA 0.228 4.779 4.550 0.002 0.000 0.247 174 Y C 1.009 176.877 175.900 -0.054 0.000 1.151 174 Y CA -0.535 57.526 58.100 -0.065 0.000 1.238 174 Y CB 0.264 38.692 38.460 -0.053 0.000 1.179 174 Y HN -0.245 nan 8.280 nan 0.000 0.524 175 V N 0.593 120.515 119.914 0.014 0.000 2.649 175 V HA 0.242 4.363 4.120 0.002 0.000 0.292 175 V C 0.537 176.631 176.094 -0.000 0.000 1.055 175 V CA -0.493 61.814 62.300 0.012 0.000 1.023 175 V CB 1.512 33.329 31.823 -0.009 0.000 0.992 175 V HN 0.231 nan 8.190 nan 0.000 0.480 176 S N 7.415 123.122 115.700 0.012 0.000 2.571 176 S HA 0.150 4.621 4.470 0.002 0.000 0.297 176 S C -1.369 173.232 174.600 0.002 0.000 1.234 176 S CA -0.449 57.755 58.200 0.007 0.000 1.120 176 S CB 0.643 63.851 63.200 0.013 0.000 0.923 176 S HN 0.776 nan 8.310 nan 0.000 0.504 177 P HA -0.113 nan 4.420 nan 0.000 0.217 177 P C 1.328 178.631 177.300 0.004 0.000 1.148 177 P CA 1.493 64.590 63.100 -0.005 0.000 0.828 177 P CB 0.033 31.727 31.700 -0.010 0.000 0.783 178 A N 0.144 122.969 122.820 0.008 0.000 1.858 178 A HA -0.227 4.094 4.320 0.002 0.000 0.216 178 A C 2.409 180.006 177.584 0.021 0.000 1.190 178 A CA 2.129 54.175 52.037 0.014 0.000 0.617 178 A CB -1.207 17.803 19.000 0.017 0.000 0.827 178 A HN 0.046 nan 8.150 nan 0.000 0.443 179 R N 0.345 120.860 120.500 0.025 0.000 2.105 179 R HA -0.089 4.252 4.340 0.002 0.000 0.239 179 R C 2.042 178.358 176.300 0.026 0.000 1.135 179 R CA 2.122 58.242 56.100 0.032 0.000 0.967 179 R CB -0.822 29.499 30.300 0.035 0.000 0.861 179 R HN 0.380 nan 8.270 nan 0.000 0.442 180 A N 0.524 123.355 122.820 0.018 0.000 1.883 180 A HA -0.060 4.261 4.320 0.002 0.000 0.217 180 A C 2.481 180.078 177.584 0.022 0.000 1.186 180 A CA 1.896 53.944 52.037 0.017 0.000 0.624 180 A CB -1.248 17.758 19.000 0.010 0.000 0.822 180 A HN 0.556 nan 8.150 nan 0.000 0.444 181 A N -0.998 121.834 122.820 0.020 0.000 1.940 181 A HA -0.213 4.108 4.320 0.002 0.000 0.219 181 A C 2.088 179.687 177.584 0.025 0.000 1.176 181 A CA 1.629 53.678 52.037 0.021 0.000 0.631 181 A CB -0.515 18.495 19.000 0.016 0.000 0.814 181 A HN 0.598 nan 8.150 nan 0.000 0.446 182 Q N -0.641 119.175 119.800 0.026 0.000 2.291 182 Q HA -0.005 4.337 4.340 0.002 0.000 0.205 182 Q C 1.381 177.401 176.000 0.032 0.000 0.970 182 Q CA 0.853 56.673 55.803 0.029 0.000 0.876 182 Q CB -0.170 28.588 28.738 0.034 0.000 0.935 182 Q HN 0.734 nan 8.270 nan 0.000 0.455 183 L N -0.609 120.633 121.223 0.032 0.000 2.629 183 L HA 0.237 4.578 4.340 0.002 0.000 0.230 183 L C 0.966 177.857 176.870 0.035 0.000 1.151 183 L CA 0.190 55.050 54.840 0.032 0.000 0.924 183 L CB -0.154 41.922 42.059 0.028 0.000 1.137 183 L HN 0.148 nan 8.230 nan 0.000 0.457 184 G N 1.267 110.089 108.800 0.036 0.000 2.246 184 G HA2 -0.268 3.693 3.960 0.002 0.000 0.273 184 G HA3 -0.268 3.693 3.960 0.002 0.000 0.273 184 G C 0.025 174.956 174.900 0.052 0.000 1.055 184 G CA -0.041 45.086 45.100 0.045 0.000 0.851 184 G HN 0.341 nan 8.290 nan 0.000 0.500 185 I N 0.097 120.693 120.570 0.043 0.000 2.404 185 I HA 0.343 4.514 4.170 0.002 0.000 0.293 185 I C 0.420 176.561 176.117 0.040 0.000 0.992 185 I CA -0.769 60.559 61.300 0.045 0.000 1.149 185 I CB 1.838 39.860 38.000 0.036 0.000 1.315 185 I HN 0.305 nan 8.210 nan 0.000 0.446 186 E N 7.600 127.828 120.200 0.046 0.000 2.167 186 E HA 0.362 4.713 4.350 0.002 0.000 0.284 186 E C -1.190 175.433 176.600 0.038 0.000 1.016 186 E CA -0.624 55.796 56.400 0.033 0.000 0.817 186 E CB 1.059 30.774 29.700 0.027 0.000 1.080 186 E HN 0.531 nan 8.360 nan 0.000 0.397 187 L N 5.702 126.943 121.223 0.029 0.000 2.367 187 L HA 0.315 4.656 4.340 0.002 0.000 0.275 187 L C -0.035 176.864 176.870 0.048 0.000 1.129 187 L CA -0.133 54.728 54.840 0.035 0.000 0.839 187 L CB 0.311 42.377 42.059 0.012 0.000 1.133 187 L HN 0.568 nan 8.230 nan 0.000 0.453 188 L N 1.487 122.761 121.223 0.085 0.000 2.341 188 L HA 0.463 4.804 4.340 0.002 0.000 0.254 188 L C 0.187 177.149 176.870 0.153 0.000 1.040 188 L CA -0.760 54.132 54.840 0.088 0.000 0.837 188 L CB 2.411 44.511 42.059 0.068 0.000 1.425 188 L HN 0.655 nan 8.230 nan 0.000 0.414 189 S N 0.036 115.790 115.700 0.091 0.000 2.589 189 S HA 0.102 4.573 4.470 0.002 0.000 0.265 189 S C 0.734 175.298 174.600 -0.060 0.000 1.342 189 S CA -0.475 57.761 58.200 0.061 0.000 1.005 189 S CB 0.899 64.096 63.200 -0.005 0.000 0.909 189 S HN 0.564 nan 8.310 nan 0.000 0.555 190 L N 0.787 121.771 121.223 -0.397 0.000 2.083 190 L HA -0.023 4.318 4.340 0.002 0.000 0.209 190 L C 1.788 178.529 176.870 -0.215 0.000 1.083 190 L CA 1.946 56.482 54.840 -0.507 0.000 0.752 190 L CB -1.318 40.220 42.059 -0.869 0.000 0.899 190 L HN 0.791 nan 8.230 nan 0.000 0.433 191 D N -0.152 120.148 120.400 -0.167 0.000 2.092 191 D HA -0.185 4.457 4.640 0.002 0.000 0.193 191 D C 1.804 178.073 176.300 -0.053 0.000 0.994 191 D CA 1.552 55.496 54.000 -0.093 0.000 0.828 191 D CB -0.146 40.610 40.800 -0.073 0.000 0.963 191 D HN 0.379 nan 8.370 nan 0.000 0.450 192 D N 0.234 120.612 120.400 -0.037 0.000 2.123 192 D HA -0.132 4.509 4.640 0.002 0.000 0.196 192 D C 2.260 178.560 176.300 0.001 0.000 0.992 192 D CA 0.253 54.245 54.000 -0.012 0.000 0.833 192 D CB -0.422 40.376 40.800 -0.002 0.000 0.954 192 D HN 0.219 nan 8.370 nan 0.000 0.455 193 L N 0.267 121.493 121.223 0.006 0.000 2.012 193 L HA -0.207 4.134 4.340 0.002 0.000 0.210 193 L C 2.040 178.922 176.870 0.019 0.000 1.073 193 L CA 1.155 56.012 54.840 0.029 0.000 0.748 193 L CB -0.147 41.945 42.059 0.056 0.000 0.891 193 L HN -0.025 nan 8.230 nan 0.000 0.431 194 L N 0.326 121.546 121.223 -0.004 0.000 2.083 194 L HA -0.162 4.179 4.340 0.002 0.000 0.209 194 L C 2.907 179.785 176.870 0.012 0.000 1.083 194 L CA 1.973 56.814 54.840 0.002 0.000 0.752 194 L CB -2.013 40.035 42.059 -0.018 0.000 0.899 194 L HN 0.421 nan 8.230 nan 0.000 0.433 195 A N -0.820 122.003 122.820 0.005 0.000 1.933 195 A HA -0.194 4.127 4.320 0.002 0.000 0.218 195 A C 2.414 180.005 177.584 0.012 0.000 1.175 195 A CA 1.542 53.584 52.037 0.009 0.000 0.628 195 A CB -0.347 18.654 19.000 0.001 0.000 0.814 195 A HN 0.387 nan 8.150 nan 0.000 0.444 196 R N -1.175 119.335 120.500 0.017 0.000 2.362 196 R HA 0.342 4.683 4.340 0.002 0.000 0.227 196 R C 0.322 176.645 176.300 0.039 0.000 0.905 196 R CA 0.353 56.467 56.100 0.023 0.000 1.067 196 R CB 0.272 30.587 30.300 0.025 0.000 1.078 196 R HN 0.406 nan 8.270 nan 0.000 0.516 197 A N 0.942 123.785 122.820 0.039 0.000 2.320 197 A HA 0.157 4.479 4.320 0.002 0.000 0.287 197 A C 0.000 177.602 177.584 0.030 0.000 1.181 197 A CA -0.516 51.556 52.037 0.058 0.000 0.831 197 A CB 0.495 19.532 19.000 0.061 0.000 1.102 197 A HN 0.087 nan 8.150 nan 0.000 0.513 198 D N 1.221 121.660 120.400 0.066 0.000 2.262 198 D HA 0.105 4.747 4.640 0.002 0.000 0.212 198 D C -0.509 175.634 176.300 -0.261 0.000 0.964 198 D CA 1.364 55.330 54.000 -0.057 0.000 0.875 198 D CB 0.182 41.010 40.800 0.045 0.000 0.996 198 D HN 0.519 nan 8.370 nan 0.000 0.497 199 F N 0.415 120.361 119.950 -0.006 0.000 2.532 199 F HA 0.492 5.020 4.527 0.002 0.000 0.321 199 F C 0.090 175.892 175.800 0.003 0.000 1.089 199 F CA -0.882 57.112 58.000 -0.011 0.000 0.926 199 F CB 2.047 41.031 39.000 -0.027 0.000 1.168 199 F HN -0.353 nan 8.300 nan 0.000 0.459 200 I N 1.596 122.262 120.570 0.159 0.000 2.498 200 I HA 0.373 4.544 4.170 0.002 0.000 0.290 200 I C -0.715 175.458 176.117 0.093 0.000 1.032 200 I CA -0.603 60.764 61.300 0.112 0.000 1.073 200 I CB 2.202 40.240 38.000 0.063 0.000 1.251 200 I HN 0.460 nan 8.210 nan 0.000 0.426 201 S N 5.567 121.330 115.700 0.106 0.000 2.519 201 S HA 0.656 5.127 4.470 0.002 0.000 0.309 201 S C -0.678 173.938 174.600 0.027 0.000 1.100 201 S CA -0.607 57.633 58.200 0.066 0.000 1.059 201 S CB 1.281 64.608 63.200 0.212 0.000 1.008 201 S HN 0.431 nan 8.310 nan 0.000 0.478 202 V N 3.703 123.502 119.914 -0.192 0.000 2.532 202 V HA 0.753 4.874 4.120 0.002 0.000 0.295 202 V C -0.782 175.036 176.094 -0.460 0.000 1.041 202 V CA -0.351 61.853 62.300 -0.159 0.000 0.926 202 V CB 1.423 33.194 31.823 -0.086 0.000 0.992 202 V HN 0.931 nan 8.190 nan 0.000 0.457 203 H N 2.832 121.922 119.070 0.033 0.000 2.980 203 H HA 0.479 5.037 4.556 0.002 0.000 0.367 203 H C -0.686 174.659 175.328 0.029 0.000 1.206 203 H CA -0.744 55.321 56.048 0.029 0.000 1.126 203 H CB 2.124 31.904 29.762 0.032 0.000 1.838 203 H HN 0.707 nan 8.280 nan 0.000 0.552 204 L N 4.064 125.379 121.223 0.153 0.000 2.601 204 L HA 0.023 4.364 4.340 0.002 0.000 0.277 204 L C -1.844 175.083 176.870 0.096 0.000 1.219 204 L CA -1.073 53.826 54.840 0.098 0.000 0.915 204 L CB -0.171 41.934 42.059 0.077 0.000 1.160 204 L HN 0.272 nan 8.230 nan 0.000 0.494 205 P HA 0.134 nan 4.420 nan 0.000 0.282 205 P C -0.052 177.271 177.300 0.038 0.000 1.287 205 P CA -0.677 62.454 63.100 0.051 0.000 0.792 205 P CB 1.058 32.785 31.700 0.045 0.000 1.163 206 K N -0.741 119.680 120.400 0.036 0.000 2.211 206 K HA 0.016 4.337 4.320 0.002 0.000 0.203 206 K C 0.277 176.885 176.600 0.014 0.000 1.050 206 K CA 1.462 57.770 56.287 0.035 0.000 0.945 206 K CB -0.746 31.786 32.500 0.054 0.000 0.732 206 K HN 0.358 nan 8.250 nan 0.000 0.451 207 T N 3.459 118.015 114.554 0.003 0.000 2.842 207 T HA 0.267 4.618 4.350 0.002 0.000 0.308 207 T C -2.805 171.865 174.700 -0.050 0.000 1.041 207 T CA -1.668 60.381 62.100 -0.085 0.000 0.964 207 T CB 1.578 70.274 68.868 -0.286 0.000 0.972 207 T HN 0.042 nan 8.240 nan 0.000 0.460 208 P HA 0.242 nan 4.420 nan 0.000 0.267 208 P C -0.088 177.206 177.300 -0.010 0.000 1.328 208 P CA 0.192 63.285 63.100 -0.011 0.000 0.990 208 P CB 0.018 31.712 31.700 -0.010 0.000 1.168 209 E N 0.557 120.761 120.200 0.006 0.000 2.271 209 E HA -0.150 4.202 4.350 0.002 0.000 0.215 209 E C 0.284 176.889 176.600 0.008 0.000 1.256 209 E CA 0.817 57.225 56.400 0.013 0.000 0.678 209 E CB -1.940 27.766 29.700 0.010 0.000 1.187 209 E HN 0.413 nan 8.360 nan 0.000 0.392 210 T N -0.881 113.684 114.554 0.018 0.000 3.060 210 T HA 0.436 4.787 4.350 0.002 0.000 0.249 210 T C 0.757 175.505 174.700 0.080 0.000 1.079 210 T CA 0.551 62.681 62.100 0.048 0.000 1.013 210 T CB -0.104 68.807 68.868 0.073 0.000 0.975 210 T HN 0.637 nan 8.240 nan 0.000 0.518 211 A N 1.020 123.883 122.820 0.072 0.000 2.592 211 A HA 0.442 4.763 4.320 0.002 0.000 0.250 211 A C 1.181 178.809 177.584 0.072 0.000 1.017 211 A CA 0.630 52.717 52.037 0.083 0.000 0.794 211 A CB -0.494 18.541 19.000 0.059 0.000 0.917 211 A HN 0.585 nan 8.150 nan 0.000 0.515 212 G N 0.807 109.661 108.800 0.090 0.000 2.975 212 G HA2 0.515 4.476 3.960 0.002 0.000 0.159 212 G HA3 0.515 4.476 3.960 0.002 0.000 0.159 212 G C -0.491 174.433 174.900 0.039 0.000 1.525 212 G CA -0.388 44.749 45.100 0.061 0.000 1.075 212 G HN 0.809 nan 8.290 nan 0.000 0.574 213 L N -0.488 120.749 121.223 0.024 0.000 2.422 213 L HA 0.488 4.829 4.340 0.002 0.000 0.264 213 L C -0.983 175.888 176.870 0.000 0.000 0.984 213 L CA -0.661 54.184 54.840 0.008 0.000 0.819 213 L CB 2.324 44.383 42.059 0.001 0.000 1.330 213 L HN 0.206 nan 8.230 nan 0.000 0.410 214 I N 3.773 124.339 120.570 -0.005 0.000 2.291 214 I HA 0.250 4.421 4.170 0.002 0.000 0.292 214 I C -0.282 175.824 176.117 -0.019 0.000 1.064 214 I CA -0.377 60.915 61.300 -0.014 0.000 1.269 214 I CB 0.031 38.024 38.000 -0.011 0.000 1.418 214 I HN 0.570 nan 8.210 nan 0.000 0.485 215 D N 6.030 126.416 120.400 -0.024 0.000 2.621 215 D HA 0.334 4.975 4.640 0.002 0.000 0.255 215 D C 0.786 177.066 176.300 -0.034 0.000 1.122 215 D CA -0.730 53.255 54.000 -0.026 0.000 1.096 215 D CB 0.904 41.691 40.800 -0.022 0.000 1.282 215 D HN 0.133 nan 8.370 nan 0.000 0.619 216 K N -0.226 120.153 120.400 -0.036 0.000 2.077 216 K HA -0.285 4.036 4.320 0.002 0.000 0.213 216 K C 1.679 178.242 176.600 -0.062 0.000 1.051 216 K CA 2.003 58.261 56.287 -0.048 0.000 0.929 216 K CB -0.138 32.336 32.500 -0.044 0.000 0.715 216 K HN 0.624 nan 8.250 nan 0.000 0.451 217 E N 0.499 120.668 120.200 -0.052 0.000 2.107 217 E HA -0.134 4.217 4.350 0.002 0.000 0.191 217 E C 2.043 178.607 176.600 -0.060 0.000 0.982 217 E CA 0.809 57.175 56.400 -0.056 0.000 0.809 217 E CB 0.020 29.693 29.700 -0.045 0.000 0.756 217 E HN 0.313 nan 8.360 nan 0.000 0.459 218 A N 1.222 124.010 122.820 -0.053 0.000 1.845 218 A HA -0.167 4.154 4.320 0.002 0.000 0.215 218 A C 2.106 179.661 177.584 -0.048 0.000 1.195 218 A CA 1.081 53.087 52.037 -0.051 0.000 0.616 218 A CB -0.767 18.205 19.000 -0.045 0.000 0.832 218 A HN 0.311 nan 8.150 nan 0.000 0.443 219 L N -0.126 121.068 121.223 -0.048 0.000 2.021 219 L HA -0.204 4.137 4.340 0.002 0.000 0.215 219 L C 2.851 179.651 176.870 -0.117 0.000 1.074 219 L CA 2.086 56.900 54.840 -0.045 0.000 0.760 219 L CB -1.126 40.908 42.059 -0.042 0.000 0.889 219 L HN 0.428 nan 8.230 nan 0.000 0.433 220 A N -1.962 120.754 122.820 -0.174 0.000 2.225 220 A HA -0.189 4.132 4.320 0.002 0.000 0.215 220 A C 2.304 179.772 177.584 -0.194 0.000 1.164 220 A CA 1.321 53.182 52.037 -0.294 0.000 0.710 220 A CB -0.451 18.425 19.000 -0.205 0.000 0.780 220 A HN 0.429 nan 8.150 nan 0.000 0.473 221 K N -0.255 120.096 120.400 -0.083 0.000 2.352 221 K HA 0.020 4.341 4.320 0.002 0.000 0.194 221 K C 0.730 177.357 176.600 0.044 0.000 1.038 221 K CA 0.656 56.929 56.287 -0.023 0.000 1.023 221 K CB 0.122 32.602 32.500 -0.033 0.000 0.840 221 K HN 0.637 nan 8.250 nan 0.000 0.519 222 T N 1.025 115.635 114.554 0.094 0.000 2.795 222 T HA 0.026 4.377 4.350 0.002 0.000 0.314 222 T C 0.017 174.833 174.700 0.194 0.000 1.069 222 T CA -0.632 61.546 62.100 0.131 0.000 1.071 222 T CB 0.560 69.510 68.868 0.137 0.000 0.988 222 T HN 0.088 nan 8.240 nan 0.000 0.543 223 K N 1.286 121.716 120.400 0.050 0.000 2.270 223 K HA 0.413 4.735 4.320 0.002 0.000 0.276 223 K C -2.615 173.838 176.600 -0.245 0.000 1.023 223 K CA -1.880 54.386 56.287 -0.035 0.000 0.955 223 K CB -0.071 32.404 32.500 -0.042 0.000 0.975 223 K HN 0.339 nan 8.250 nan 0.000 0.471 224 P HA -0.007 nan 4.420 nan 0.000 0.268 224 P C 0.517 177.609 177.300 -0.347 0.000 1.205 224 P CA 0.630 63.324 63.100 -0.677 0.000 0.771 224 P CB 0.755 32.204 31.700 -0.419 0.000 0.858 225 G N 0.943 109.554 108.800 -0.316 0.000 2.157 225 G HA2 -0.224 3.737 3.960 0.002 0.000 0.248 225 G HA3 -0.224 3.737 3.960 0.002 0.000 0.248 225 G C 0.084 174.835 174.900 -0.250 0.000 0.979 225 G CA -0.017 44.950 45.100 -0.222 0.000 0.650 225 G HN 0.663 nan 8.290 nan 0.000 0.529 226 V N 1.042 120.807 119.914 -0.249 0.000 2.843 226 V HA 0.542 4.663 4.120 0.002 0.000 0.305 226 V C 0.748 176.696 176.094 -0.244 0.000 1.065 226 V CA -0.035 62.121 62.300 -0.240 0.000 1.116 226 V CB 0.927 32.670 31.823 -0.133 0.000 0.968 226 V HN 0.282 nan 8.190 nan 0.000 0.487 227 I N 6.890 127.259 120.570 -0.335 0.000 2.378 227 I HA 0.437 4.608 4.170 0.002 0.000 0.291 227 I C -0.499 175.585 176.117 -0.054 0.000 0.992 227 I CA -0.479 60.696 61.300 -0.208 0.000 1.154 227 I CB 1.568 39.397 38.000 -0.285 0.000 1.315 227 I HN 0.363 nan 8.210 nan 0.000 0.448 228 I N 7.022 127.580 120.570 -0.019 0.000 2.378 228 I HA 0.447 4.618 4.170 0.002 0.000 0.291 228 I C -0.261 175.855 176.117 -0.002 0.000 0.992 228 I CA -0.745 60.556 61.300 0.001 0.000 1.154 228 I CB 1.749 39.744 38.000 -0.008 0.000 1.315 228 I HN 0.154 nan 8.210 nan 0.000 0.448 229 V N 5.523 125.433 119.914 -0.007 0.000 2.495 229 V HA 0.417 4.538 4.120 0.002 0.000 0.298 229 V C -0.175 175.856 176.094 -0.106 0.000 1.031 229 V CA -0.628 61.645 62.300 -0.046 0.000 0.871 229 V CB 2.141 33.945 31.823 -0.030 0.000 0.988 229 V HN 0.727 nan 8.190 nan 0.000 0.432 230 N N 3.190 121.809 118.700 -0.135 0.000 2.573 230 N HA 0.566 5.307 4.740 0.002 0.000 0.262 230 N C -0.026 175.371 175.510 -0.188 0.000 1.029 230 N CA -0.139 52.799 53.050 -0.187 0.000 0.882 230 N CB 1.807 40.186 38.487 -0.180 0.000 1.204 230 N HN 0.765 nan 8.380 nan 0.000 0.519 231 A N 2.081 124.800 122.820 -0.169 0.000 2.535 231 A HA 0.600 4.922 4.320 0.002 0.000 0.273 231 A C 1.110 178.669 177.584 -0.042 0.000 1.267 231 A CA 0.378 52.375 52.037 -0.068 0.000 0.940 231 A CB -0.029 18.988 19.000 0.030 0.000 1.101 231 A HN 0.603 nan 8.150 nan 0.000 0.521 232 A N 0.118 122.865 122.820 -0.123 0.000 1.944 232 A HA 0.558 4.880 4.320 0.002 0.000 0.209 232 A C 1.074 178.624 177.584 -0.056 0.000 1.328 232 A CA 0.590 52.589 52.037 -0.063 0.000 0.693 232 A CB 0.198 19.127 19.000 -0.119 0.000 0.994 232 A HN 0.372 nan 8.150 nan 0.000 0.485 233 R N -1.992 118.446 120.500 -0.104 0.000 2.508 233 R HA 0.438 4.779 4.340 0.002 0.000 0.283 233 R C 0.960 177.185 176.300 -0.124 0.000 1.120 233 R CA 0.286 56.331 56.100 -0.092 0.000 0.958 233 R CB 0.864 31.142 30.300 -0.038 0.000 1.215 233 R HN 0.676 nan 8.270 nan 0.000 0.427 234 G N 2.947 111.662 108.800 -0.141 0.000 3.130 234 G HA2 -0.434 3.527 3.960 0.002 0.000 0.309 234 G HA3 -0.434 3.527 3.960 0.002 0.000 0.309 234 G C 0.640 175.481 174.900 -0.098 0.000 1.284 234 G CA 1.080 46.117 45.100 -0.104 0.000 1.295 234 G HN 0.853 nan 8.290 nan 0.000 1.019 235 G N -1.121 107.644 108.800 -0.058 0.000 4.250 235 G HA2 0.510 4.471 3.960 0.002 0.000 0.295 235 G HA3 0.510 4.471 3.960 0.002 0.000 0.295 235 G C 1.205 176.079 174.900 -0.042 0.000 1.081 235 G CA 0.452 45.524 45.100 -0.047 0.000 0.854 235 G HN 0.511 nan 8.290 nan 0.000 0.524 236 L N -0.083 121.108 121.223 -0.053 0.000 2.270 236 L HA -0.075 4.267 4.340 0.002 0.000 0.217 236 L C 0.394 177.244 176.870 -0.034 0.000 1.107 236 L CA 0.974 55.792 54.840 -0.037 0.000 0.772 236 L CB 0.035 42.065 42.059 -0.049 0.000 0.902 236 L HN 0.071 nan 8.230 nan 0.000 0.439 237 V N -0.605 119.279 119.914 -0.049 0.000 2.407 237 V HA 0.120 4.242 4.120 0.002 0.000 0.291 237 V C -0.476 175.598 176.094 -0.034 0.000 1.018 237 V CA -1.107 61.170 62.300 -0.039 0.000 0.842 237 V CB 1.588 33.384 31.823 -0.045 0.000 0.996 237 V HN 0.026 nan 8.190 nan 0.000 0.426 238 D N 3.558 123.944 120.400 -0.024 0.000 2.479 238 D HA -0.029 4.612 4.640 0.002 0.000 0.257 238 D C 1.250 177.540 176.300 -0.017 0.000 1.230 238 D CA 0.631 54.620 54.000 -0.019 0.000 0.912 238 D CB 0.820 41.609 40.800 -0.018 0.000 1.130 238 D HN 0.669 nan 8.370 nan 0.000 0.515 239 E N 2.788 122.980 120.200 -0.012 0.000 2.085 239 E HA -0.246 4.105 4.350 0.002 0.000 0.194 239 E C 1.889 178.482 176.600 -0.011 0.000 0.994 239 E CA 1.289 57.686 56.400 -0.005 0.000 0.801 239 E CB -0.044 29.663 29.700 0.011 0.000 0.743 239 E HN 0.652 nan 8.360 nan 0.000 0.453 240 A N 1.324 124.134 122.820 -0.017 0.000 1.898 240 A HA -0.049 4.272 4.320 0.002 0.000 0.216 240 A C 2.370 179.944 177.584 -0.016 0.000 1.181 240 A CA 1.560 53.585 52.037 -0.020 0.000 0.620 240 A CB -0.565 18.422 19.000 -0.021 0.000 0.819 240 A HN 0.289 nan 8.150 nan 0.000 0.442 241 A N -0.582 122.228 122.820 -0.017 0.000 1.930 241 A HA 0.036 4.357 4.320 0.002 0.000 0.217 241 A C 2.112 179.688 177.584 -0.013 0.000 1.175 241 A CA 1.565 53.590 52.037 -0.019 0.000 0.627 241 A CB -0.580 18.406 19.000 -0.024 0.000 0.815 241 A HN 0.643 nan 8.150 nan 0.000 0.443 242 L N -0.052 121.166 121.223 -0.008 0.000 2.012 242 L HA -0.106 4.236 4.340 0.002 0.000 0.210 242 L C 2.676 179.551 176.870 0.008 0.000 1.073 242 L CA 2.243 57.083 54.840 0.001 0.000 0.748 242 L CB -0.732 41.327 42.059 0.001 0.000 0.891 242 L HN 0.342 nan 8.230 nan 0.000 0.431 243 A N -0.765 122.058 122.820 0.004 0.000 1.908 243 A HA -0.256 4.065 4.320 0.002 0.000 0.218 243 A C 2.026 179.613 177.584 0.006 0.000 1.181 243 A CA 2.103 54.144 52.037 0.006 0.000 0.627 243 A CB -0.903 18.094 19.000 -0.004 0.000 0.818 243 A HN 0.582 nan 8.150 nan 0.000 0.445 244 D N -0.263 120.136 120.400 -0.001 0.000 2.178 244 D HA 0.024 4.665 4.640 0.002 0.000 0.202 244 D C 2.098 178.401 176.300 0.006 0.000 0.974 244 D CA 1.302 55.301 54.000 -0.002 0.000 0.841 244 D CB -0.274 40.518 40.800 -0.012 0.000 0.953 244 D HN 0.456 nan 8.370 nan 0.000 0.478 245 A N 0.687 123.513 122.820 0.011 0.000 2.067 245 A HA -0.053 4.268 4.320 0.002 0.000 0.217 245 A C 2.133 179.749 177.584 0.054 0.000 1.156 245 A CA 0.414 52.474 52.037 0.038 0.000 0.683 245 A CB -0.166 18.858 19.000 0.040 0.000 0.808 245 A HN 0.077 nan 8.150 nan 0.000 0.455 246 I N 0.300 120.889 120.570 0.032 0.000 2.141 246 I HA -0.154 4.017 4.170 0.002 0.000 0.236 246 I C 2.522 178.652 176.117 0.022 0.000 1.071 246 I CA 2.142 63.457 61.300 0.026 0.000 1.345 246 I CB -1.909 36.106 38.000 0.024 0.000 1.066 246 I HN 0.306 nan 8.210 nan 0.000 0.406 247 T N 0.718 115.283 114.554 0.018 0.000 2.833 247 T HA -0.078 4.273 4.350 0.002 0.000 0.269 247 T C 1.913 176.622 174.700 0.014 0.000 1.054 247 T CA 1.212 63.320 62.100 0.013 0.000 1.135 247 T CB -0.895 67.979 68.868 0.009 0.000 0.869 247 T HN 0.508 nan 8.240 nan 0.000 0.466 248 G N 0.627 109.439 108.800 0.019 0.000 2.559 248 G HA2 0.264 4.225 3.960 0.002 0.000 0.216 248 G HA3 0.264 4.225 3.960 0.002 0.000 0.216 248 G C 1.315 176.239 174.900 0.039 0.000 1.126 248 G CA 0.558 45.672 45.100 0.024 0.000 0.778 248 G HN 0.931 nan 8.290 nan 0.000 0.543 249 G N -1.189 107.634 108.800 0.040 0.000 2.175 249 G HA2 -0.314 3.647 3.960 0.002 0.000 0.244 249 G HA3 -0.314 3.647 3.960 0.002 0.000 0.244 249 G C 0.712 175.636 174.900 0.041 0.000 0.982 249 G CA 1.040 46.157 45.100 0.029 0.000 0.641 249 G HN 0.672 nan 8.290 nan 0.000 0.527 250 H N -0.435 118.620 119.070 -0.025 0.000 2.431 250 H HA 0.483 5.040 4.556 0.002 0.000 0.295 250 H C 1.186 176.491 175.328 -0.039 0.000 1.038 250 H CA 1.366 57.396 56.048 -0.030 0.000 1.360 250 H CB 0.396 30.142 29.762 -0.027 0.000 1.433 250 H HN 0.274 nan 8.280 nan 0.000 0.536 251 V N 2.376 122.321 119.914 0.052 0.000 2.394 251 V HA 0.172 4.294 4.120 0.002 0.000 0.282 251 V C 1.237 177.304 176.094 -0.045 0.000 1.031 251 V CA -0.204 62.087 62.300 -0.014 0.000 0.881 251 V CB 1.517 33.358 31.823 0.030 0.000 0.982 251 V HN 0.402 nan 8.190 nan 0.000 0.451 252 R N 3.772 124.218 120.500 -0.090 0.000 2.062 252 R HA 0.227 4.568 4.340 0.002 0.000 0.229 252 R C 0.636 176.909 176.300 -0.046 0.000 1.128 252 R CA 1.494 57.547 56.100 -0.078 0.000 0.960 252 R CB 0.152 30.382 30.300 -0.117 0.000 0.855 252 R HN 0.823 nan 8.270 nan 0.000 0.432 253 A N -0.787 122.003 122.820 -0.050 0.000 2.593 253 A HA 0.778 5.099 4.320 0.002 0.000 0.290 253 A C -1.696 175.881 177.584 -0.011 0.000 1.126 253 A CA -0.379 51.648 52.037 -0.016 0.000 0.695 253 A CB 1.763 20.759 19.000 -0.007 0.000 1.290 253 A HN 0.391 nan 8.150 nan 0.000 0.414 254 A N -0.799 122.027 122.820 0.011 0.000 2.604 254 A HA 0.834 5.155 4.320 0.002 0.000 0.295 254 A C -0.350 177.245 177.584 0.018 0.000 1.067 254 A CA 0.024 52.068 52.037 0.011 0.000 0.683 254 A CB 1.338 20.346 19.000 0.013 0.000 1.281 254 A HN 2.317 nan 8.150 nan 0.000 0.407 255 G N 0.065 108.864 108.800 -0.001 0.000 2.590 255 G HA2 0.629 4.590 3.960 0.002 0.000 0.310 255 G HA3 0.629 4.590 3.960 0.002 0.000 0.310 255 G C -1.772 173.098 174.900 -0.049 0.000 1.347 255 G CA -0.382 44.710 45.100 -0.013 0.000 0.963 255 G HN 0.609 nan 8.290 nan 0.000 0.494 256 L N 1.471 122.671 121.223 -0.038 0.000 2.385 256 L HA 0.465 4.806 4.340 0.002 0.000 0.273 256 L C 0.307 177.088 176.870 -0.148 0.000 0.990 256 L CA -0.463 54.280 54.840 -0.162 0.000 0.821 256 L CB 2.514 44.418 42.059 -0.258 0.000 1.279 256 L HN 0.619 nan 8.230 nan 0.000 0.412 257 D N 0.920 121.204 120.400 -0.194 0.000 2.389 257 D HA 0.169 4.810 4.640 0.002 0.000 0.206 257 D C -0.206 175.965 176.300 -0.215 0.000 1.055 257 D CA 0.534 54.518 54.000 -0.026 0.000 0.856 257 D CB 0.780 41.667 40.800 0.144 0.000 0.957 257 D HN 0.185 nan 8.370 nan 0.000 0.509 258 V N -2.254 117.254 119.914 -0.676 0.000 3.078 258 V HA 0.729 4.851 4.120 0.002 0.000 0.311 258 V C -1.022 174.438 176.094 -1.056 0.000 1.138 258 V CA -1.057 60.834 62.300 -0.682 0.000 1.007 258 V CB 1.782 33.304 31.823 -0.502 0.000 1.045 258 V HN -0.137 nan 8.190 nan 0.000 0.432 259 F N 0.215 120.116 119.950 -0.082 0.000 2.601 259 F HA 0.821 5.350 4.527 0.003 0.000 0.309 259 F C 1.201 176.977 175.800 -0.040 0.000 1.089 259 F CA -0.276 57.703 58.000 -0.034 0.000 0.940 259 F CB 2.087 41.094 39.000 0.012 0.000 1.273 259 F HN 0.737 nan 8.300 nan 0.000 0.450 260 A N 0.605 123.497 122.820 0.119 0.000 1.948 260 A HA -0.022 4.299 4.320 0.002 0.000 0.220 260 A C 0.839 178.461 177.584 0.064 0.000 1.177 260 A CA 1.706 53.775 52.037 0.053 0.000 0.636 260 A CB -0.609 18.411 19.000 0.034 0.000 0.815 260 A HN 0.623 nan 8.150 nan 0.000 0.449 261 T N 0.664 115.272 114.554 0.090 0.000 2.847 261 T HA 0.444 4.796 4.350 0.002 0.000 0.291 261 T C -0.408 174.351 174.700 0.098 0.000 0.998 261 T CA -0.438 61.705 62.100 0.071 0.000 0.967 261 T CB 1.534 70.425 68.868 0.039 0.000 0.954 261 T HN 0.471 nan 8.240 nan 0.000 0.441 262 E N 2.205 122.468 120.200 0.105 0.000 2.790 262 E HA 0.420 4.771 4.350 0.002 0.000 0.256 262 E C -2.025 174.623 176.600 0.080 0.000 1.246 262 E CA -2.091 54.384 56.400 0.124 0.000 1.041 262 E CB 0.065 29.869 29.700 0.173 0.000 1.272 262 E HN 0.317 nan 8.360 nan 0.000 0.603 263 P HA -0.221 nan 4.420 nan 0.000 0.220 263 P C -1.234 176.079 177.300 0.021 0.000 1.007 263 P CA 0.529 63.658 63.100 0.049 0.000 0.829 263 P CB -0.253 31.470 31.700 0.038 0.000 0.752 264 C N 3.899 123.191 119.300 -0.013 0.000 2.346 264 C HA 0.578 5.039 4.460 0.002 0.000 0.326 264 C C 1.234 176.207 174.990 -0.030 0.000 1.224 264 C CA 0.614 59.584 59.018 -0.080 0.000 1.408 264 C CB 0.528 28.143 27.740 -0.208 0.000 2.089 264 C HN 0.765 nan 8.230 nan 0.000 0.456 265 T N -0.320 114.254 114.554 0.033 0.000 3.087 265 T HA 0.232 4.583 4.350 0.002 0.000 0.283 265 T C 0.222 175.027 174.700 0.176 0.000 0.956 265 T CA 0.335 62.526 62.100 0.152 0.000 0.894 265 T CB -0.087 68.815 68.868 0.058 0.000 1.160 265 T HN 0.747 nan 8.240 nan 0.000 0.532 266 D N 0.525 120.922 120.400 -0.005 0.000 2.636 266 D HA 0.201 4.842 4.640 0.002 0.000 0.270 266 D C 0.206 176.361 176.300 -0.242 0.000 1.430 266 D CA -0.354 53.609 54.000 -0.061 0.000 0.796 266 D CB 0.059 40.837 40.800 -0.036 0.000 1.117 266 D HN 0.258 nan 8.370 nan 0.000 0.480 267 S N 1.262 116.598 115.700 -0.607 0.000 2.560 267 S HA 0.173 4.644 4.470 0.002 0.000 0.284 267 S C -1.483 172.805 174.600 -0.521 0.000 1.327 267 S CA -0.601 57.181 58.200 -0.696 0.000 1.055 267 S CB 1.263 63.811 63.200 -1.086 0.000 0.868 267 S HN -0.118 nan 8.310 nan 0.000 0.506 268 P HA 0.012 nan 4.420 nan 0.000 0.230 268 P C 1.167 178.412 177.300 -0.091 0.000 1.158 268 P CA 0.113 63.135 63.100 -0.130 0.000 0.769 268 P CB 0.106 31.758 31.700 -0.080 0.000 0.807 269 L N -1.481 119.644 121.223 -0.163 0.000 2.191 269 L HA -0.068 4.273 4.340 0.002 0.000 0.212 269 L C 1.916 178.908 176.870 0.202 0.000 1.103 269 L CA 1.525 56.370 54.840 0.009 0.000 0.769 269 L CB -1.718 40.374 42.059 0.056 0.000 0.908 269 L HN 0.076 nan 8.230 nan 0.000 0.438 270 F N -0.489 119.476 119.950 0.025 0.000 2.748 270 F HA -0.045 4.483 4.527 0.001 0.000 0.299 270 F C 1.558 177.365 175.800 0.011 0.000 1.154 270 F CA -0.241 57.767 58.000 0.012 0.000 1.446 270 F CB 0.168 39.155 39.000 -0.021 0.000 1.112 270 F HN 0.142 nan 8.300 nan 0.000 0.584 271 E N 0.836 121.141 120.200 0.176 0.000 2.465 271 E HA 0.211 4.562 4.350 0.002 0.000 0.195 271 E C -0.010 176.639 176.600 0.080 0.000 1.028 271 E CA 0.260 56.722 56.400 0.103 0.000 0.899 271 E CB 0.274 30.012 29.700 0.063 0.000 1.032 271 E HN 0.377 nan 8.360 nan 0.000 0.468 272 L N 0.701 121.984 121.223 0.100 0.000 2.294 272 L HA 0.432 4.773 4.340 0.002 0.000 0.283 272 L C 1.177 178.094 176.870 0.079 0.000 1.015 272 L CA -0.639 54.247 54.840 0.075 0.000 0.831 272 L CB 1.671 43.771 42.059 0.069 0.000 1.217 272 L HN -0.087 nan 8.230 nan 0.000 0.420 273 A N 2.153 125.008 122.820 0.060 0.000 2.015 273 A HA -0.160 4.161 4.320 0.002 0.000 0.219 273 A C 1.890 179.511 177.584 0.062 0.000 1.163 273 A CA 1.186 53.259 52.037 0.060 0.000 0.646 273 A CB -0.168 18.864 19.000 0.052 0.000 0.806 273 A HN 0.836 nan 8.150 nan 0.000 0.448 274 Q N -0.425 119.406 119.800 0.052 0.000 2.364 274 Q HA 0.062 4.403 4.340 0.002 0.000 0.207 274 Q C 0.103 176.133 176.000 0.050 0.000 0.970 274 Q CA 0.652 56.482 55.803 0.045 0.000 0.888 274 Q CB -0.288 28.467 28.738 0.028 0.000 0.951 274 Q HN 0.412 nan 8.270 nan 0.000 0.469 275 V N 1.265 121.221 119.914 0.070 0.000 2.364 275 V HA 0.228 4.349 4.120 0.002 0.000 0.272 275 V C -0.191 175.960 176.094 0.094 0.000 1.036 275 V CA -0.821 61.531 62.300 0.087 0.000 0.880 275 V CB 1.354 33.253 31.823 0.127 0.000 0.991 275 V HN -0.110 nan 8.190 nan 0.000 0.460 276 V N 6.254 126.210 119.914 0.071 0.000 2.465 276 V HA 0.571 4.693 4.120 0.002 0.000 0.279 276 V C 0.085 176.234 176.094 0.093 0.000 1.045 276 V CA -0.373 61.963 62.300 0.060 0.000 0.938 276 V CB 1.553 33.392 31.823 0.026 0.000 0.986 276 V HN 0.768 nan 8.190 nan 0.000 0.467 277 V N 1.729 121.708 119.914 0.108 0.000 2.876 277 V HA 1.015 5.137 4.120 0.002 0.000 0.312 277 V C -0.338 175.849 176.094 0.155 0.000 1.085 277 V CA -0.413 62.011 62.300 0.208 0.000 0.945 277 V CB 2.044 34.041 31.823 0.289 0.000 1.017 277 V HN 0.955 nan 8.190 nan 0.000 0.428 278 T N 0.187 114.895 114.554 0.258 0.000 2.916 278 T HA 0.655 5.006 4.350 0.002 0.000 0.305 278 T C -3.045 171.853 174.700 0.330 0.000 1.119 278 T CA -1.788 60.453 62.100 0.235 0.000 1.008 278 T CB 2.209 71.257 68.868 0.301 0.000 1.129 278 T HN 0.675 nan 8.240 nan 0.000 0.480 279 P HA 0.160 nan 4.420 nan 0.000 0.226 279 P C 0.083 177.571 177.300 0.314 0.000 1.783 279 P CA 0.300 63.554 63.100 0.255 0.000 0.980 279 P CB -1.344 30.423 31.700 0.112 0.000 1.967 280 H N 0.468 119.670 119.070 0.221 0.000 2.750 280 H HA -0.112 4.445 4.556 0.002 0.000 0.327 280 H C -0.125 175.231 175.328 0.046 0.000 1.199 280 H CA -0.443 55.686 56.048 0.135 0.000 1.149 280 H CB -0.937 28.905 29.762 0.134 0.000 1.543 280 H HN 0.267 nan 8.280 nan 0.000 0.427 281 L N 0.239 121.527 121.223 0.109 0.000 2.585 281 L HA 0.099 4.440 4.340 0.002 0.000 0.226 281 L C 2.651 179.343 176.870 -0.297 0.000 1.113 281 L CA 0.746 55.505 54.840 -0.134 0.000 0.876 281 L CB -0.044 41.901 42.059 -0.191 0.000 1.072 281 L HN 0.613 nan 8.230 nan 0.000 0.468 282 G N 0.795 109.502 108.800 -0.153 0.000 2.606 282 G HA2 -0.358 3.603 3.960 0.002 0.000 0.223 282 G HA3 -0.358 3.603 3.960 0.002 0.000 0.223 282 G C 1.324 176.188 174.900 -0.060 0.000 1.106 282 G CA 1.174 46.240 45.100 -0.057 0.000 0.745 282 G HN 0.500 nan 8.290 nan 0.000 0.597 283 A N -0.492 122.279 122.820 -0.081 0.000 2.469 283 A HA 0.557 4.878 4.320 0.002 0.000 0.245 283 A C 1.103 178.641 177.584 -0.077 0.000 1.221 283 A CA 0.350 52.348 52.037 -0.064 0.000 0.946 283 A CB 0.518 19.481 19.000 -0.062 0.000 1.049 283 A HN 0.161 nan 8.150 nan 0.000 0.529 284 S N 1.245 116.881 115.700 -0.106 0.000 2.494 284 S HA 0.478 4.949 4.470 0.002 0.000 0.312 284 S C -0.313 174.250 174.600 -0.062 0.000 1.121 284 S CA 0.041 58.192 58.200 -0.082 0.000 1.068 284 S CB 0.027 63.176 63.200 -0.085 0.000 1.141 284 S HN 0.297 nan 8.310 nan 0.000 0.527 285 T N 1.339 115.871 114.554 -0.037 0.000 3.579 285 T HA 0.407 4.759 4.350 0.002 0.000 0.360 285 T C 0.939 175.635 174.700 -0.007 0.000 1.285 285 T CA -0.201 61.888 62.100 -0.018 0.000 1.127 285 T CB 1.039 69.901 68.868 -0.010 0.000 1.244 285 T HN 0.414 nan 8.240 nan 0.000 0.476 286 A N 2.995 125.814 122.820 -0.001 0.000 1.917 286 A HA -0.102 4.219 4.320 0.002 0.000 0.219 286 A C 1.815 179.405 177.584 0.009 0.000 1.182 286 A CA 2.201 54.240 52.037 0.003 0.000 0.633 286 A CB -0.441 18.562 19.000 0.005 0.000 0.819 286 A HN 0.822 nan 8.150 nan 0.000 0.448 287 E N -0.155 120.054 120.200 0.015 0.000 2.106 287 E HA 0.045 4.396 4.350 0.002 0.000 0.192 287 E C 2.221 178.837 176.600 0.027 0.000 0.984 287 E CA 1.251 57.666 56.400 0.024 0.000 0.806 287 E CB -0.432 29.288 29.700 0.034 0.000 0.750 287 E HN 0.591 nan 8.360 nan 0.000 0.458 288 A N 0.611 123.444 122.820 0.022 0.000 1.929 288 A HA -0.172 4.149 4.320 0.002 0.000 0.216 288 A C 2.030 179.616 177.584 0.004 0.000 1.176 288 A CA 1.035 53.081 52.037 0.015 0.000 0.628 288 A CB -0.267 18.737 19.000 0.006 0.000 0.816 288 A HN 0.063 nan 8.150 nan 0.000 0.444 289 Q N 0.137 119.937 119.800 -0.000 0.000 2.084 289 Q HA -0.172 4.169 4.340 0.002 0.000 0.202 289 Q C 1.806 177.808 176.000 0.004 0.000 0.978 289 Q CA 1.650 57.452 55.803 -0.002 0.000 0.844 289 Q CB -0.603 28.133 28.738 -0.003 0.000 0.898 289 Q HN 0.818 nan 8.270 nan 0.000 0.426 290 D N -0.047 120.358 120.400 0.009 0.000 2.123 290 D HA -0.205 4.436 4.640 0.002 0.000 0.196 290 D C 1.815 178.121 176.300 0.010 0.000 0.992 290 D CA 1.006 55.013 54.000 0.012 0.000 0.833 290 D CB 0.328 41.136 40.800 0.015 0.000 0.954 290 D HN -0.024 nan 8.370 nan 0.000 0.455 291 R N 0.872 121.379 120.500 0.011 0.000 2.090 291 R HA 0.054 4.395 4.340 0.002 0.000 0.228 291 R C 2.156 178.454 176.300 -0.003 0.000 1.110 291 R CA 1.580 57.685 56.100 0.008 0.000 0.973 291 R CB -1.091 29.218 30.300 0.014 0.000 0.869 291 R HN 0.163 nan 8.270 nan 0.000 0.440 292 A N -0.512 122.305 122.820 -0.005 0.000 1.933 292 A HA -0.030 4.292 4.320 0.002 0.000 0.218 292 A C 2.292 179.869 177.584 -0.013 0.000 1.175 292 A CA 1.722 53.752 52.037 -0.012 0.000 0.628 292 A CB -1.203 17.789 19.000 -0.014 0.000 0.814 292 A HN 0.488 nan 8.150 nan 0.000 0.444 293 G N -0.356 108.440 108.800 -0.006 0.000 2.434 293 G HA2 -0.186 3.776 3.960 0.002 0.000 0.214 293 G HA3 -0.186 3.776 3.960 0.002 0.000 0.214 293 G C 1.782 176.675 174.900 -0.011 0.000 1.202 293 G CA 2.060 47.156 45.100 -0.006 0.000 0.788 293 G HN 0.695 nan 8.290 nan 0.000 0.539 294 T N -0.999 113.551 114.554 -0.007 0.000 2.881 294 T HA -0.096 4.255 4.350 0.002 0.000 0.270 294 T C 1.768 176.457 174.700 -0.019 0.000 1.068 294 T CA 1.778 63.872 62.100 -0.011 0.000 1.131 294 T CB -0.241 68.624 68.868 -0.006 0.000 0.871 294 T HN 0.126 nan 8.240 nan 0.000 0.479 295 D N 1.656 122.044 120.400 -0.020 0.000 2.084 295 D HA -0.075 4.567 4.640 0.002 0.000 0.196 295 D C 2.534 178.812 176.300 -0.037 0.000 0.985 295 D CA 1.760 55.744 54.000 -0.027 0.000 0.826 295 D CB -0.586 40.199 40.800 -0.026 0.000 0.978 295 D HN 0.506 nan 8.370 nan 0.000 0.456 296 V N -0.402 119.490 119.914 -0.036 0.000 2.490 296 V HA -0.085 4.036 4.120 0.002 0.000 0.250 296 V C 2.262 178.326 176.094 -0.050 0.000 1.061 296 V CA 1.712 63.985 62.300 -0.045 0.000 1.064 296 V CB -1.100 30.697 31.823 -0.043 0.000 0.670 296 V HN 0.112 nan 8.190 nan 0.000 0.461 297 A N 0.569 123.363 122.820 -0.043 0.000 1.930 297 A HA -0.170 4.152 4.320 0.002 0.000 0.217 297 A C 2.196 179.753 177.584 -0.045 0.000 1.175 297 A CA 1.832 53.842 52.037 -0.046 0.000 0.627 297 A CB -0.606 18.372 19.000 -0.036 0.000 0.815 297 A HN 0.614 nan 8.150 nan 0.000 0.443 298 E N 0.405 120.580 120.200 -0.041 0.000 2.077 298 E HA -0.108 4.244 4.350 0.002 0.000 0.193 298 E C 2.152 178.718 176.600 -0.055 0.000 0.989 298 E CA 1.710 58.084 56.400 -0.042 0.000 0.800 298 E CB -0.433 29.245 29.700 -0.037 0.000 0.746 298 E HN 0.437 nan 8.360 nan 0.000 0.452 299 S N -0.896 114.765 115.700 -0.064 0.000 2.383 299 S HA -0.095 4.376 4.470 0.002 0.000 0.227 299 S C 1.927 176.479 174.600 -0.080 0.000 1.026 299 S CA 1.067 59.217 58.200 -0.084 0.000 0.981 299 S CB -0.186 62.962 63.200 -0.086 0.000 0.818 299 S HN 0.179 nan 8.310 nan 0.000 0.472 300 V N 1.824 121.696 119.914 -0.069 0.000 2.427 300 V HA -0.124 3.997 4.120 0.002 0.000 0.248 300 V C 2.449 178.508 176.094 -0.059 0.000 1.051 300 V CA 1.715 63.975 62.300 -0.066 0.000 1.048 300 V CB -0.605 31.177 31.823 -0.068 0.000 0.666 300 V HN 0.401 nan 8.190 nan 0.000 0.456 301 R N 0.063 120.531 120.500 -0.053 0.000 2.066 301 R HA -0.110 4.231 4.340 0.002 0.000 0.232 301 R C 2.313 178.588 176.300 -0.041 0.000 1.131 301 R CA 1.586 57.660 56.100 -0.043 0.000 0.955 301 R CB -0.297 29.981 30.300 -0.036 0.000 0.851 301 R HN 0.432 nan 8.270 nan 0.000 0.432 302 L N 0.577 121.770 121.223 -0.050 0.000 2.046 302 L HA -0.149 4.192 4.340 0.002 0.000 0.208 302 L C 2.810 179.646 176.870 -0.057 0.000 1.077 302 L CA 1.377 56.186 54.840 -0.052 0.000 0.747 302 L CB -0.628 41.386 42.059 -0.075 0.000 0.896 302 L HN 0.350 nan 8.230 nan 0.000 0.432 303 A N 0.332 123.110 122.820 -0.070 0.000 1.883 303 A HA -0.188 4.133 4.320 0.002 0.000 0.217 303 A C 2.236 179.794 177.584 -0.043 0.000 1.186 303 A CA 1.640 53.638 52.037 -0.065 0.000 0.624 303 A CB -0.776 18.181 19.000 -0.071 0.000 0.822 303 A HN 0.382 nan 8.150 nan 0.000 0.444 304 L N -0.939 120.260 121.223 -0.040 0.000 2.093 304 L HA -0.120 4.221 4.340 0.002 0.000 0.208 304 L C 2.793 179.651 176.870 -0.021 0.000 1.085 304 L CA 0.912 55.733 54.840 -0.031 0.000 0.755 304 L CB -0.533 41.506 42.059 -0.034 0.000 0.904 304 L HN 0.409 nan 8.230 nan 0.000 0.435 305 A N 0.119 122.928 122.820 -0.019 0.000 2.248 305 A HA 0.158 4.480 4.320 0.002 0.000 0.210 305 A C 1.817 179.402 177.584 0.001 0.000 1.174 305 A CA 0.768 52.800 52.037 -0.007 0.000 0.750 305 A CB -0.923 18.074 19.000 -0.005 0.000 0.780 305 A HN 0.560 nan 8.150 nan 0.000 0.478 306 G N -0.690 108.108 108.800 -0.004 0.000 2.203 306 G HA2 -0.304 3.658 3.960 0.002 0.000 0.263 306 G HA3 -0.304 3.658 3.960 0.002 0.000 0.263 306 G C 0.082 174.995 174.900 0.022 0.000 1.012 306 G CA 0.820 45.924 45.100 0.006 0.000 0.749 306 G HN 0.701 nan 8.290 nan 0.000 0.512 307 E N -1.446 118.762 120.200 0.013 0.000 2.322 307 E HA 0.626 4.978 4.350 0.002 0.000 0.257 307 E C 0.255 176.870 176.600 0.026 0.000 1.155 307 E CA -1.155 55.266 56.400 0.034 0.000 0.936 307 E CB 0.458 30.171 29.700 0.022 0.000 1.130 307 E HN 0.167 nan 8.360 nan 0.000 0.465 308 F N 1.488 121.340 119.950 -0.163 0.000 2.518 308 F HA 0.207 4.735 4.527 0.002 0.000 0.359 308 F C -0.597 175.077 175.800 -0.210 0.000 1.118 308 F CA -0.281 57.550 58.000 -0.282 0.000 1.287 308 F CB 0.613 39.213 39.000 -0.667 0.000 1.132 308 F HN 0.040 nan 8.300 nan 0.000 0.587 309 V N 9.049 128.409 119.914 -0.924 0.000 2.266 309 V HA 0.199 4.320 4.120 0.002 0.000 0.271 309 V C -1.844 173.754 176.094 -0.826 0.000 1.032 309 V CA -1.084 60.831 62.300 -0.642 0.000 0.806 309 V CB 0.921 32.514 31.823 -0.383 0.000 1.052 309 V HN 0.687 nan 8.190 nan 0.000 0.449 310 P HA -0.037 nan 4.420 nan 0.000 0.222 310 P C 0.643 177.805 177.300 -0.230 0.000 1.147 310 P CA 0.940 63.797 63.100 -0.406 0.000 0.790 310 P CB 0.301 31.957 31.700 -0.073 0.000 0.780 311 D N -1.044 119.234 120.400 -0.204 0.000 2.339 311 D HA 0.145 4.786 4.640 0.002 0.000 0.217 311 D C 0.807 177.030 176.300 -0.128 0.000 1.050 311 D CA 0.085 54.010 54.000 -0.124 0.000 0.856 311 D CB -0.349 40.395 40.800 -0.093 0.000 0.922 311 D HN 0.076 nan 8.370 nan 0.000 0.518 312 A N 0.213 122.921 122.820 -0.187 0.000 2.407 312 A HA 0.227 4.548 4.320 0.002 0.000 0.248 312 A C 1.259 178.785 177.584 -0.096 0.000 1.082 312 A CA -0.214 51.737 52.037 -0.145 0.000 0.785 312 A CB 0.983 19.874 19.000 -0.181 0.000 1.020 312 A HN 0.058 nan 8.150 nan 0.000 0.489 313 V N 1.687 121.563 119.914 -0.063 0.000 3.661 313 V HA 0.029 4.151 4.120 0.002 0.000 0.271 313 V C 0.824 176.903 176.094 -0.024 0.000 1.315 313 V CA 1.299 63.577 62.300 -0.037 0.000 1.072 313 V CB -0.304 31.501 31.823 -0.030 0.000 0.830 313 V HN 1.028 nan 8.190 nan 0.000 0.443 314 N N -0.943 117.740 118.700 -0.029 0.000 2.377 314 N HA 0.157 4.898 4.740 0.002 0.000 0.259 314 N C -0.528 174.976 175.510 -0.010 0.000 1.332 314 N CA 0.019 53.059 53.050 -0.016 0.000 0.877 314 N CB 0.498 38.975 38.487 -0.017 0.000 1.299 314 N HN 0.152 nan 8.380 nan 0.000 0.501 315 V N -0.407 119.501 119.914 -0.010 0.000 3.406 315 V HA 0.638 4.759 4.120 0.002 0.000 0.305 315 V C 1.869 177.992 176.094 0.047 0.000 1.136 315 V CA 0.055 62.365 62.300 0.015 0.000 1.011 315 V CB 0.963 32.790 31.823 0.006 0.000 1.221 315 V HN 0.318 nan 8.190 nan 0.000 0.454 316 G N 0.968 109.816 108.800 0.079 0.000 3.449 316 G HA2 -0.278 3.683 3.960 0.002 0.000 0.212 316 G HA3 -0.278 3.683 3.960 0.002 0.000 0.212 316 G C 1.415 176.356 174.900 0.069 0.000 1.072 316 G CA 1.075 46.224 45.100 0.081 0.000 0.753 316 G HN 1.293 nan 8.290 nan 0.000 1.155 317 G N -0.607 108.244 108.800 0.084 0.000 2.485 317 G HA2 0.334 4.295 3.960 0.002 0.000 0.221 317 G HA3 0.334 4.295 3.960 0.002 0.000 0.221 317 G C 1.090 176.023 174.900 0.056 0.000 1.115 317 G CA 1.748 46.887 45.100 0.065 0.000 0.751 317 G HN 2.015 nan 8.290 nan 0.000 0.567 318 G N -1.581 107.261 108.800 0.069 0.000 2.204 318 G HA2 0.081 4.042 3.960 0.002 0.000 0.153 318 G HA3 0.081 4.042 3.960 0.002 0.000 0.153 318 G C -0.536 174.392 174.900 0.046 0.000 1.295 318 G CA -0.227 44.900 45.100 0.045 0.000 1.257 318 G HN 0.782 nan 8.290 nan 0.000 0.495 319 V N 1.338 121.269 119.914 0.028 0.000 2.508 319 V HA 0.468 4.589 4.120 0.002 0.000 0.281 319 V C 1.028 177.152 176.094 0.050 0.000 1.041 319 V CA -0.566 61.747 62.300 0.021 0.000 1.016 319 V CB 1.039 32.868 31.823 0.009 0.000 0.984 319 V HN 0.775 nan 8.190 nan 0.000 0.478 320 V N 4.277 124.230 119.914 0.066 0.000 2.488 320 V HA 0.155 4.276 4.120 0.002 0.000 0.277 320 V C 0.545 176.678 176.094 0.065 0.000 1.046 320 V CA -0.351 62.009 62.300 0.100 0.000 0.986 320 V CB 0.976 32.893 31.823 0.157 0.000 0.989 320 V HN 0.981 nan 8.190 nan 0.000 0.475 321 N N 3.331 122.070 118.700 0.064 0.000 2.518 321 N HA 0.057 4.798 4.740 0.002 0.000 0.266 321 N C 1.324 176.874 175.510 0.066 0.000 1.196 321 N CA -0.048 53.032 53.050 0.050 0.000 0.947 321 N CB 0.793 39.303 38.487 0.038 0.000 1.098 321 N HN 0.732 nan 8.380 nan 0.000 0.450 322 E N 1.738 121.969 120.200 0.051 0.000 2.097 322 E HA -0.270 4.081 4.350 0.002 0.000 0.196 322 E C 0.605 177.260 176.600 0.092 0.000 1.000 322 E CA 1.079 57.512 56.400 0.056 0.000 0.804 322 E CB -0.124 29.596 29.700 0.032 0.000 0.740 322 E HN 0.670 nan 8.360 nan 0.000 0.454 323 E N 0.697 120.955 120.200 0.097 0.000 2.153 323 E HA -0.112 4.239 4.350 0.002 0.000 0.194 323 E C 2.266 179.006 176.600 0.233 0.000 0.988 323 E CA 0.839 57.327 56.400 0.147 0.000 0.811 323 E CB 0.106 29.866 29.700 0.100 0.000 0.746 323 E HN 0.198 nan 8.360 nan 0.000 0.466 324 V N 0.880 120.898 119.914 0.173 0.000 2.725 324 V HA -0.050 4.071 4.120 0.002 0.000 0.247 324 V C 2.349 178.625 176.094 0.304 0.000 1.058 324 V CA 1.101 63.522 62.300 0.202 0.000 1.080 324 V CB -0.418 31.459 31.823 0.090 0.000 0.713 324 V HN 0.177 nan 8.190 nan 0.000 0.465 325 A N 1.161 124.106 122.820 0.209 0.000 1.892 325 A HA -0.174 4.147 4.320 0.002 0.000 0.218 325 A C 0.477 178.163 177.584 0.170 0.000 1.188 325 A CA 2.335 54.475 52.037 0.172 0.000 0.631 325 A CB -1.989 17.073 19.000 0.102 0.000 0.822 325 A HN 0.534 nan 8.150 nan 0.000 0.447 326 P HA -0.133 nan 4.420 nan 0.000 0.221 326 P C 0.601 177.856 177.300 -0.076 0.000 1.145 326 P CA 1.012 64.103 63.100 -0.015 0.000 0.795 326 P CB -0.174 31.457 31.700 -0.114 0.000 0.775 327 W N -0.856 120.463 121.300 0.032 0.000 2.518 327 W HA 0.068 4.729 4.660 0.002 0.000 0.273 327 W C 2.082 178.627 176.519 0.042 0.000 1.247 327 W CA 0.251 57.614 57.345 0.030 0.000 1.288 327 W CB -1.166 28.313 29.460 0.031 0.000 1.107 327 W HN -0.124 nan 8.180 nan 0.000 0.586 328 L N 0.224 121.607 121.223 0.267 0.000 1.991 328 L HA -0.322 4.019 4.340 0.002 0.000 0.221 328 L C 2.229 179.191 176.870 0.154 0.000 1.079 328 L CA 2.067 57.033 54.840 0.211 0.000 0.778 328 L CB -0.960 41.222 42.059 0.204 0.000 0.893 328 L HN -0.036 nan 8.230 nan 0.000 0.437 329 D N -0.491 119.968 120.400 0.100 0.000 2.178 329 D HA -0.164 4.477 4.640 0.002 0.000 0.202 329 D C 2.269 178.592 176.300 0.038 0.000 0.974 329 D CA 0.653 54.690 54.000 0.061 0.000 0.841 329 D CB 0.084 40.900 40.800 0.026 0.000 0.953 329 D HN 0.177 nan 8.370 nan 0.000 0.478 330 L N 0.014 121.250 121.223 0.022 0.000 1.994 330 L HA -0.148 4.193 4.340 0.002 0.000 0.208 330 L C 2.184 179.092 176.870 0.062 0.000 1.071 330 L CA 1.219 56.065 54.840 0.009 0.000 0.745 330 L CB -0.380 41.656 42.059 -0.038 0.000 0.892 330 L HN 0.045 nan 8.230 nan 0.000 0.431 331 V N -0.134 119.853 119.914 0.121 0.000 2.515 331 V HA -0.256 3.865 4.120 0.002 0.000 0.250 331 V C 2.638 178.767 176.094 0.057 0.000 1.058 331 V CA 1.721 64.085 62.300 0.106 0.000 1.064 331 V CB -0.833 31.070 31.823 0.133 0.000 0.675 331 V HN 0.502 nan 8.190 nan 0.000 0.461 332 R N 0.686 121.227 120.500 0.067 0.000 2.103 332 R HA -0.231 4.110 4.340 0.002 0.000 0.242 332 R C 2.303 178.615 176.300 0.021 0.000 1.142 332 R CA 1.958 58.087 56.100 0.048 0.000 0.960 332 R CB -0.149 30.197 30.300 0.076 0.000 0.858 332 R HN 0.486 nan 8.270 nan 0.000 0.439 333 K N 0.089 120.499 120.400 0.018 0.000 2.167 333 K HA -0.031 4.290 4.320 0.002 0.000 0.203 333 K C 2.120 178.713 176.600 -0.010 0.000 1.052 333 K CA 0.984 57.270 56.287 -0.001 0.000 0.956 333 K CB -0.018 32.477 32.500 -0.009 0.000 0.735 333 K HN 0.204 nan 8.250 nan 0.000 0.451 334 L N 0.348 121.570 121.223 -0.000 0.000 2.083 334 L HA -0.129 4.212 4.340 0.002 0.000 0.209 334 L C 2.520 179.374 176.870 -0.026 0.000 1.083 334 L CA 1.371 56.206 54.840 -0.007 0.000 0.752 334 L CB -0.867 41.200 42.059 0.013 0.000 0.899 334 L HN 0.330 nan 8.230 nan 0.000 0.433 335 G N -0.226 108.557 108.800 -0.028 0.000 2.421 335 G HA2 -0.187 3.774 3.960 0.002 0.000 0.216 335 G HA3 -0.187 3.774 3.960 0.002 0.000 0.216 335 G C 1.597 176.457 174.900 -0.067 0.000 1.171 335 G CA 0.901 45.966 45.100 -0.060 0.000 0.775 335 G HN 0.177 nan 8.290 nan 0.000 0.543 336 V N 0.722 120.610 119.914 -0.043 0.000 2.287 336 V HA -0.141 3.981 4.120 0.002 0.000 0.248 336 V C 2.836 178.904 176.094 -0.044 0.000 1.053 336 V CA 1.299 63.576 62.300 -0.039 0.000 1.027 336 V CB -0.521 31.291 31.823 -0.020 0.000 0.646 336 V HN 0.214 nan 8.190 nan 0.000 0.447 337 L N 0.565 121.764 121.223 -0.041 0.000 1.989 337 L HA -0.128 4.213 4.340 0.002 0.000 0.211 337 L C 2.648 179.490 176.870 -0.048 0.000 1.071 337 L CA 2.402 57.216 54.840 -0.043 0.000 0.749 337 L CB -1.626 40.406 42.059 -0.045 0.000 0.890 337 L HN 0.324 nan 8.230 nan 0.000 0.431 338 A N -0.964 121.824 122.820 -0.053 0.000 2.032 338 A HA -0.147 4.174 4.320 0.002 0.000 0.221 338 A C 2.324 179.868 177.584 -0.067 0.000 1.165 338 A CA 1.818 53.820 52.037 -0.059 0.000 0.645 338 A CB -1.107 17.853 19.000 -0.067 0.000 0.807 338 A HN 0.501 nan 8.150 nan 0.000 0.453 339 G N -1.133 107.621 108.800 -0.076 0.000 2.437 339 G HA2 0.061 4.023 3.960 0.002 0.000 0.212 339 G HA3 0.061 4.023 3.960 0.002 0.000 0.212 339 G C 1.382 176.252 174.900 -0.051 0.000 1.174 339 G CA 0.905 45.955 45.100 -0.083 0.000 0.811 339 G HN 0.297 nan 8.290 nan 0.000 0.537 340 V N 0.769 120.660 119.914 -0.039 0.000 2.626 340 V HA -0.030 4.091 4.120 0.002 0.000 0.252 340 V C 2.530 178.615 176.094 -0.015 0.000 1.067 340 V CA 0.911 63.197 62.300 -0.022 0.000 1.081 340 V CB -0.183 31.629 31.823 -0.019 0.000 0.686 340 V HN 0.185 nan 8.190 nan 0.000 0.468 341 L N -0.802 120.408 121.223 -0.021 0.000 2.446 341 L HA 0.217 4.559 4.340 0.002 0.000 0.219 341 L C 1.279 178.144 176.870 -0.008 0.000 1.116 341 L CA 0.872 55.705 54.840 -0.011 0.000 0.844 341 L CB -0.310 41.735 42.059 -0.022 0.000 0.970 341 L HN 0.164 nan 8.230 nan 0.000 0.457 342 S N 0.353 116.042 115.700 -0.019 0.000 2.523 342 S HA 0.052 4.523 4.470 0.002 0.000 0.275 342 S C 0.979 175.576 174.600 -0.005 0.000 1.281 342 S CA -0.514 57.676 58.200 -0.017 0.000 1.050 342 S CB 0.726 63.906 63.200 -0.035 0.000 0.937 342 S HN 0.368 nan 8.310 nan 0.000 0.492 343 D N 2.267 122.670 120.400 0.006 0.000 2.162 343 D HA -0.017 4.624 4.640 0.002 0.000 0.203 343 D C 0.136 176.441 176.300 0.008 0.000 0.967 343 D CA 0.775 54.783 54.000 0.013 0.000 0.840 343 D CB 0.155 40.969 40.800 0.024 0.000 0.972 343 D HN 0.379 nan 8.370 nan 0.000 0.482 344 E N 0.410 120.612 120.200 0.003 0.000 2.212 344 E HA 0.318 4.669 4.350 0.002 0.000 0.270 344 E C -0.355 176.242 176.600 -0.006 0.000 0.956 344 E CA -1.239 55.162 56.400 0.003 0.000 0.825 344 E CB 2.462 32.165 29.700 0.005 0.000 1.167 344 E HN 0.036 nan 8.360 nan 0.000 0.400 345 L N 4.271 125.494 121.223 -0.000 0.000 2.540 345 L HA 0.082 4.423 4.340 0.002 0.000 0.276 345 L C -2.121 174.739 176.870 -0.016 0.000 1.212 345 L CA -0.491 54.345 54.840 -0.008 0.000 0.893 345 L CB 0.047 42.120 42.059 0.022 0.000 1.138 345 L HN 0.238 nan 8.230 nan 0.000 0.491 346 P HA 0.028 nan 4.420 nan 0.000 0.272 346 P C 0.465 177.752 177.300 -0.021 0.000 1.223 346 P CA -0.149 62.926 63.100 -0.042 0.000 0.784 346 P CB 1.040 32.694 31.700 -0.076 0.000 0.923 347 V N -1.122 118.784 119.914 -0.012 0.000 3.471 347 V HA 0.144 4.265 4.120 0.002 0.000 0.258 347 V C 0.545 176.638 176.094 -0.001 0.000 1.192 347 V CA 0.869 63.171 62.300 0.003 0.000 1.116 347 V CB -0.651 31.174 31.823 0.004 0.000 0.792 347 V HN 0.645 nan 8.190 nan 0.000 0.459 348 S N 0.347 116.036 115.700 -0.017 0.000 2.549 348 S HA 0.823 5.294 4.470 0.002 0.000 0.280 348 S C -1.341 173.234 174.600 -0.042 0.000 1.109 348 S CA -0.587 57.600 58.200 -0.021 0.000 0.905 348 S CB 2.452 65.642 63.200 -0.017 0.000 1.081 348 S HN 0.379 nan 8.310 nan 0.000 0.477 349 L N 1.575 122.771 121.223 -0.045 0.000 2.381 349 L HA 0.811 5.152 4.340 0.002 0.000 0.274 349 L C -0.720 176.123 176.870 -0.045 0.000 0.988 349 L CA 0.043 54.846 54.840 -0.062 0.000 0.824 349 L CB 2.181 44.184 42.059 -0.092 0.000 1.263 349 L HN 0.902 nan 8.230 nan 0.000 0.410 350 S N 3.692 119.367 115.700 -0.042 0.000 2.561 350 S HA 0.793 5.264 4.470 0.002 0.000 0.303 350 S C -1.320 173.261 174.600 -0.032 0.000 1.110 350 S CA -0.494 57.686 58.200 -0.033 0.000 1.034 350 S CB 1.243 64.427 63.200 -0.026 0.000 1.010 350 S HN 0.389 nan 8.310 nan 0.000 0.482 351 V N 5.650 125.545 119.914 -0.032 0.000 2.357 351 V HA 0.481 4.602 4.120 0.002 0.000 0.284 351 V C -0.550 175.526 176.094 -0.030 0.000 1.018 351 V CA -0.654 61.629 62.300 -0.029 0.000 0.841 351 V CB 1.351 33.154 31.823 -0.033 0.000 0.991 351 V HN 0.855 nan 8.190 nan 0.000 0.437 352 Q N 3.313 123.098 119.800 -0.025 0.000 2.333 352 Q HA 0.620 4.961 4.340 0.002 0.000 0.265 352 Q C -0.925 175.050 176.000 -0.041 0.000 0.989 352 Q CA -0.339 55.448 55.803 -0.027 0.000 0.842 352 Q CB 2.504 31.233 28.738 -0.015 0.000 1.262 352 Q HN 0.605 nan 8.270 nan 0.000 0.451 353 V N 4.085 123.962 119.914 -0.062 0.000 2.347 353 V HA 0.508 4.629 4.120 0.002 0.000 0.280 353 V C -0.333 175.711 176.094 -0.083 0.000 1.021 353 V CA -0.605 61.632 62.300 -0.106 0.000 0.847 353 V CB 1.035 32.771 31.823 -0.146 0.000 0.990 353 V HN 0.676 nan 8.190 nan 0.000 0.444 354 R N 3.343 123.799 120.500 -0.073 0.000 2.670 354 R HA 0.843 5.184 4.340 0.002 0.000 0.289 354 R C 0.400 176.682 176.300 -0.031 0.000 0.965 354 R CA -0.158 55.922 56.100 -0.033 0.000 0.899 354 R CB 2.108 32.413 30.300 0.008 0.000 1.173 354 R HN 0.997 nan 8.270 nan 0.000 0.456 355 G N 1.583 110.374 108.800 -0.016 0.000 2.482 355 G HA2 -0.277 3.684 3.960 0.002 0.000 0.214 355 G HA3 -0.277 3.684 3.960 0.002 0.000 0.214 355 G C 0.509 175.399 174.900 -0.017 0.000 1.271 355 G CA -0.020 45.081 45.100 0.002 0.000 0.944 355 G HN 0.647 nan 8.290 nan 0.000 0.568 356 E N -0.229 119.974 120.200 0.005 0.000 2.085 356 E HA -0.084 4.267 4.350 0.002 0.000 0.194 356 E C 2.637 179.212 176.600 -0.041 0.000 0.994 356 E CA 1.235 57.636 56.400 0.003 0.000 0.801 356 E CB -0.060 29.666 29.700 0.044 0.000 0.743 356 E HN 0.385 nan 8.360 nan 0.000 0.453 357 L N 0.628 121.784 121.223 -0.112 0.000 2.081 357 L HA -0.235 4.106 4.340 0.002 0.000 0.212 357 L C 2.367 179.127 176.870 -0.183 0.000 1.080 357 L CA 1.112 55.807 54.840 -0.241 0.000 0.754 357 L CB -0.407 41.319 42.059 -0.556 0.000 0.893 357 L HN 0.168 nan 8.230 nan 0.000 0.433 358 A N -0.573 122.167 122.820 -0.134 0.000 2.186 358 A HA -0.143 4.178 4.320 0.002 0.000 0.219 358 A C 2.151 179.701 177.584 -0.057 0.000 1.159 358 A CA 1.518 53.500 52.037 -0.092 0.000 0.680 358 A CB -0.516 18.447 19.000 -0.061 0.000 0.787 358 A HN 0.520 nan 8.150 nan 0.000 0.467 359 A N -0.856 121.937 122.820 -0.045 0.000 2.251 359 A HA 0.225 4.546 4.320 0.002 0.000 0.209 359 A C 0.847 178.424 177.584 -0.012 0.000 1.187 359 A CA -0.003 52.027 52.037 -0.012 0.000 0.823 359 A CB 0.027 19.031 19.000 0.007 0.000 0.846 359 A HN 0.484 nan 8.150 nan 0.000 0.486 360 E N 0.292 120.468 120.200 -0.041 0.000 2.504 360 E HA 0.307 4.658 4.350 0.002 0.000 0.253 360 E C -0.844 175.735 176.600 -0.036 0.000 1.151 360 E CA -0.538 55.841 56.400 -0.035 0.000 0.972 360 E CB 0.371 30.043 29.700 -0.047 0.000 1.247 360 E HN 0.364 nan 8.360 nan 0.000 0.519 361 E N 0.980 121.166 120.200 -0.022 0.000 2.014 361 E HA 0.139 4.490 4.350 0.002 0.000 0.275 361 E C 0.272 176.866 176.600 -0.011 0.000 0.997 361 E CA -0.144 56.247 56.400 -0.014 0.000 0.804 361 E CB 0.650 30.349 29.700 -0.002 0.000 1.090 361 E HN 0.226 nan 8.360 nan 0.000 0.401 362 V N 0.122 120.019 119.914 -0.029 0.000 3.214 362 V HA 0.127 4.248 4.120 0.002 0.000 0.330 362 V C 1.417 177.501 176.094 -0.017 0.000 1.403 362 V CA -0.246 62.033 62.300 -0.036 0.000 1.143 362 V CB 0.318 32.086 31.823 -0.092 0.000 1.098 362 V HN 0.394 nan 8.190 nan 0.000 0.463 363 E N 1.391 121.588 120.200 -0.005 0.000 2.086 363 E HA -0.227 4.124 4.350 0.002 0.000 0.200 363 E C 2.137 178.735 176.600 -0.003 0.000 1.012 363 E CA 1.891 58.287 56.400 -0.006 0.000 0.812 363 E CB -0.478 29.225 29.700 0.005 0.000 0.743 363 E HN 0.517 nan 8.360 nan 0.000 0.453 364 V N 0.961 120.896 119.914 0.036 0.000 2.828 364 V HA -0.211 3.910 4.120 0.002 0.000 0.260 364 V C 2.162 178.282 176.094 0.045 0.000 1.101 364 V CA 1.067 63.408 62.300 0.068 0.000 1.123 364 V CB -0.287 31.631 31.823 0.158 0.000 0.704 364 V HN 0.218 nan 8.190 nan 0.000 0.493 365 L N -0.782 120.457 121.223 0.026 0.000 2.179 365 L HA -0.056 4.285 4.340 0.002 0.000 0.208 365 L C 2.648 179.500 176.870 -0.030 0.000 1.096 365 L CA 1.363 56.218 54.840 0.025 0.000 0.779 365 L CB -0.600 41.471 42.059 0.019 0.000 0.922 365 L HN 0.257 nan 8.230 nan 0.000 0.443 366 R N 0.804 121.271 120.500 -0.056 0.000 2.083 366 R HA -0.175 4.166 4.340 0.002 0.000 0.237 366 R C 2.327 178.538 176.300 -0.148 0.000 1.137 366 R CA 1.495 57.546 56.100 -0.081 0.000 0.951 366 R CB -0.250 30.009 30.300 -0.069 0.000 0.851 366 R HN 0.292 nan 8.270 nan 0.000 0.434 367 L N -0.212 120.867 121.223 -0.239 0.000 1.989 367 L HA -0.212 4.129 4.340 0.002 0.000 0.211 367 L C 2.604 179.161 176.870 -0.521 0.000 1.071 367 L CA 1.524 56.066 54.840 -0.496 0.000 0.749 367 L CB -0.715 40.818 42.059 -0.877 0.000 0.890 367 L HN 0.177 nan 8.230 nan 0.000 0.431 368 S N -0.166 115.327 115.700 -0.345 0.000 2.365 368 S HA -0.273 4.198 4.470 0.002 0.000 0.225 368 S C 2.193 176.753 174.600 -0.067 0.000 1.039 368 S CA 1.538 59.683 58.200 -0.093 0.000 1.033 368 S CB -0.398 62.865 63.200 0.105 0.000 0.887 368 S HN 0.518 nan 8.310 nan 0.000 0.447 369 A N 1.058 123.838 122.820 -0.066 0.000 1.883 369 A HA -0.072 4.249 4.320 0.002 0.000 0.217 369 A C 2.070 179.600 177.584 -0.091 0.000 1.186 369 A CA 1.327 53.328 52.037 -0.059 0.000 0.624 369 A CB -0.739 18.228 19.000 -0.055 0.000 0.822 369 A HN 0.401 nan 8.150 nan 0.000 0.444 370 L N -0.136 121.026 121.223 -0.101 0.000 2.017 370 L HA -0.139 4.202 4.340 0.002 0.000 0.208 370 L C 2.558 179.436 176.870 0.014 0.000 1.073 370 L CA 2.341 57.145 54.840 -0.061 0.000 0.745 370 L CB -1.080 40.983 42.059 0.007 0.000 0.894 370 L HN 0.595 nan 8.230 nan 0.000 0.432 371 R N -0.769 119.712 120.500 -0.032 0.000 2.091 371 R HA -0.154 4.187 4.340 0.002 0.000 0.238 371 R C 2.165 178.493 176.300 0.047 0.000 1.136 371 R CA 1.689 57.804 56.100 0.024 0.000 0.959 371 R CB -0.745 29.527 30.300 -0.046 0.000 0.856 371 R HN 0.415 nan 8.270 nan 0.000 0.437 372 G N 1.366 110.164 108.800 -0.003 0.000 2.433 372 G HA2 -0.253 3.708 3.960 0.002 0.000 0.216 372 G HA3 -0.253 3.708 3.960 0.002 0.000 0.216 372 G C 1.463 176.326 174.900 -0.062 0.000 1.186 372 G CA 0.627 45.719 45.100 -0.013 0.000 0.779 372 G HN 0.276 nan 8.290 nan 0.000 0.543 373 L N -0.698 120.432 121.223 -0.156 0.000 2.034 373 L HA -0.145 4.196 4.340 0.002 0.000 0.217 373 L C 2.584 179.257 176.870 -0.328 0.000 1.077 373 L CA 1.916 56.564 54.840 -0.321 0.000 0.769 373 L CB -0.383 41.322 42.059 -0.590 0.000 0.890 373 L HN 0.249 nan 8.230 nan 0.000 0.435 374 F N -0.659 119.275 119.950 -0.027 0.000 2.664 374 F HA -0.040 4.488 4.527 0.002 0.000 0.296 374 F C 2.754 178.547 175.800 -0.012 0.000 1.125 374 F CA 0.824 58.811 58.000 -0.021 0.000 1.444 374 F CB -0.417 38.565 39.000 -0.029 0.000 1.114 374 F HN 0.186 nan 8.300 nan 0.000 0.576 375 S N 0.036 115.815 115.700 0.132 0.000 2.414 375 S HA -0.005 4.466 4.470 0.002 0.000 0.227 375 S C 2.119 176.752 174.600 0.056 0.000 1.022 375 S CA 0.591 58.843 58.200 0.088 0.000 0.958 375 S CB -0.740 62.499 63.200 0.065 0.000 0.797 375 S HN 0.153 nan 8.310 nan 0.000 0.493 376 A N 0.455 123.291 122.820 0.027 0.000 2.248 376 A HA 0.361 4.682 4.320 0.002 0.000 0.210 376 A C 1.657 179.251 177.584 0.017 0.000 1.174 376 A CA 1.035 53.076 52.037 0.006 0.000 0.750 376 A CB -0.412 18.573 19.000 -0.025 0.000 0.780 376 A HN 0.522 nan 8.150 nan 0.000 0.478 377 V N -1.973 117.972 119.914 0.051 0.000 3.151 377 V HA 0.269 4.390 4.120 0.002 0.000 0.235 377 V C 0.058 176.202 176.094 0.083 0.000 1.501 377 V CA 0.161 62.500 62.300 0.065 0.000 1.211 377 V CB 0.225 32.099 31.823 0.085 0.000 1.049 377 V HN 0.341 nan 8.190 nan 0.000 0.455 378 I N 0.958 121.591 120.570 0.105 0.000 2.406 378 I HA 0.340 4.511 4.170 0.002 0.000 0.290 378 I C 0.314 176.462 176.117 0.052 0.000 0.999 378 I CA -0.315 61.032 61.300 0.078 0.000 1.124 378 I CB 1.889 39.940 38.000 0.084 0.000 1.289 378 I HN 0.127 nan 8.210 nan 0.000 0.441 379 E N 3.880 124.100 120.200 0.033 0.000 2.508 379 E HA -0.151 4.200 4.350 0.002 0.000 0.266 379 E C -0.372 176.241 176.600 0.022 0.000 1.010 379 E CA 0.854 57.268 56.400 0.024 0.000 0.955 379 E CB 0.205 29.914 29.700 0.016 0.000 0.946 379 E HN 0.604 nan 8.360 nan 0.000 0.454 380 D N 0.750 121.162 120.400 0.021 0.000 3.763 380 D HA -0.204 4.437 4.640 0.002 0.000 0.232 380 D C -0.875 175.441 176.300 0.027 0.000 1.108 380 D CA 0.425 54.437 54.000 0.020 0.000 1.117 380 D CB -0.295 40.513 40.800 0.012 0.000 0.846 380 D HN 0.575 nan 8.370 nan 0.000 0.405 381 A N 2.212 125.054 122.820 0.037 0.000 2.615 381 A HA 0.299 4.620 4.320 0.002 0.000 0.230 381 A C 0.719 178.334 177.584 0.051 0.000 1.062 381 A CA 0.216 52.285 52.037 0.052 0.000 0.758 381 A CB 0.450 19.484 19.000 0.057 0.000 0.995 381 A HN 0.633 nan 8.150 nan 0.000 0.511 382 V N 2.003 121.955 119.914 0.063 0.000 2.775 382 V HA 0.424 4.545 4.120 0.002 0.000 0.299 382 V C 1.216 177.361 176.094 0.085 0.000 1.062 382 V CA 0.032 62.361 62.300 0.049 0.000 1.063 382 V CB 0.784 32.631 31.823 0.041 0.000 0.994 382 V HN 1.196 nan 8.190 nan 0.000 0.483 383 T N 0.124 114.728 114.554 0.083 0.000 2.867 383 T HA 0.359 4.710 4.350 0.002 0.000 0.286 383 T C 0.667 175.478 174.700 0.186 0.000 1.022 383 T CA 0.025 62.216 62.100 0.152 0.000 0.933 383 T CB 0.528 69.469 68.868 0.121 0.000 1.280 383 T HN 0.268 nan 8.240 nan 0.000 0.566 384 F N 0.106 120.047 119.950 -0.015 0.000 2.335 384 F HA 0.137 4.666 4.527 0.002 0.000 0.296 384 F C 2.407 178.176 175.800 -0.051 0.000 1.091 384 F CA 0.778 58.732 58.000 -0.078 0.000 1.399 384 F CB -0.232 38.658 39.000 -0.183 0.000 1.067 384 F HN 0.466 nan 8.300 nan 0.000 0.520 385 V N -2.624 117.366 119.914 0.127 0.000 3.174 385 V HA -0.003 4.119 4.120 0.002 0.000 0.254 385 V C 2.089 178.186 176.094 0.006 0.000 1.120 385 V CA 1.177 63.508 62.300 0.052 0.000 1.114 385 V CB -0.859 31.007 31.823 0.071 0.000 0.756 385 V HN 0.278 nan 8.190 nan 0.000 0.467 386 N N 2.382 121.089 118.700 0.012 0.000 2.104 386 N HA -0.142 4.599 4.740 0.002 0.000 0.190 386 N C 1.750 177.214 175.510 -0.076 0.000 1.024 386 N CA 2.204 55.239 53.050 -0.024 0.000 0.853 386 N CB -0.168 38.318 38.487 -0.003 0.000 1.008 386 N HN 0.571 nan 8.380 nan 0.000 0.424 387 A N 1.169 123.936 122.820 -0.088 0.000 1.855 387 A HA 0.014 4.335 4.320 0.002 0.000 0.215 387 A C -0.160 177.349 177.584 -0.124 0.000 1.191 387 A CA 1.193 53.157 52.037 -0.122 0.000 0.613 387 A CB -1.552 17.385 19.000 -0.104 0.000 0.829 387 A HN 0.329 nan 8.150 nan 0.000 0.442 388 P HA -0.163 nan 4.420 nan 0.000 0.215 388 P C 1.692 178.948 177.300 -0.074 0.000 1.157 388 P CA 2.147 65.207 63.100 -0.067 0.000 0.874 388 P CB -0.140 31.524 31.700 -0.061 0.000 0.790 389 A N -0.986 121.784 122.820 -0.083 0.000 1.969 389 A HA -0.139 4.182 4.320 0.002 0.000 0.218 389 A C 2.154 179.661 177.584 -0.128 0.000 1.169 389 A CA 1.264 53.252 52.037 -0.082 0.000 0.635 389 A CB -1.607 17.354 19.000 -0.064 0.000 0.810 389 A HN 0.178 nan 8.150 nan 0.000 0.445 390 L N -0.548 120.555 121.223 -0.199 0.000 2.093 390 L HA -0.003 4.338 4.340 0.002 0.000 0.208 390 L C 2.603 179.202 176.870 -0.451 0.000 1.085 390 L CA 1.879 56.520 54.840 -0.332 0.000 0.755 390 L CB -0.430 41.367 42.059 -0.435 0.000 0.904 390 L HN 0.319 nan 8.230 nan 0.000 0.435 391 A N -0.396 122.204 122.820 -0.366 0.000 1.873 391 A HA -0.047 4.274 4.320 0.002 0.000 0.215 391 A C 2.466 180.044 177.584 -0.010 0.000 1.186 391 A CA 1.509 53.484 52.037 -0.103 0.000 0.616 391 A CB -1.182 17.940 19.000 0.203 0.000 0.823 391 A HN 0.531 nan 8.150 nan 0.000 0.442 392 A N -0.004 122.795 122.820 -0.035 0.000 1.908 392 A HA -0.242 4.079 4.320 0.002 0.000 0.218 392 A C 2.042 179.608 177.584 -0.030 0.000 1.181 392 A CA 1.948 53.972 52.037 -0.020 0.000 0.627 392 A CB -0.622 18.361 19.000 -0.028 0.000 0.818 392 A HN 0.715 nan 8.150 nan 0.000 0.445 393 E N -0.645 119.515 120.200 -0.066 0.000 2.268 393 E HA -0.162 4.189 4.350 0.002 0.000 0.195 393 E C 1.401 177.974 176.600 -0.045 0.000 0.995 393 E CA 0.898 57.261 56.400 -0.062 0.000 0.836 393 E CB 0.001 29.648 29.700 -0.089 0.000 0.763 393 E HN 0.510 nan 8.360 nan 0.000 0.491 394 R N -0.989 119.488 120.500 -0.039 0.000 2.507 394 R HA 0.198 4.539 4.340 0.002 0.000 0.298 394 R C 0.646 176.981 176.300 0.059 0.000 0.999 394 R CA 0.595 56.706 56.100 0.018 0.000 1.082 394 R CB 0.986 31.320 30.300 0.057 0.000 1.246 394 R HN 0.251 nan 8.270 nan 0.000 0.553 395 G N 0.423 109.246 108.800 0.040 0.000 2.198 395 G HA2 -0.250 3.712 3.960 0.002 0.000 0.260 395 G HA3 -0.250 3.712 3.960 0.002 0.000 0.260 395 G C -0.123 174.813 174.900 0.060 0.000 1.025 395 G CA 0.289 45.413 45.100 0.040 0.000 0.769 395 G HN 0.167 nan 8.290 nan 0.000 0.507 396 V N 1.586 121.562 119.914 0.103 0.000 2.370 396 V HA 0.675 4.796 4.120 0.002 0.000 0.279 396 V C 0.825 176.966 176.094 0.080 0.000 1.029 396 V CA 0.102 62.468 62.300 0.110 0.000 0.870 396 V CB 1.511 33.460 31.823 0.210 0.000 0.984 396 V HN 0.673 nan 8.190 nan 0.000 0.451 397 T N 2.437 117.014 114.554 0.038 0.000 2.867 397 T HA 0.850 5.202 4.350 0.002 0.000 0.282 397 T C -0.210 174.496 174.700 0.009 0.000 1.000 397 T CA -0.521 61.592 62.100 0.022 0.000 1.042 397 T CB 1.907 70.780 68.868 0.009 0.000 0.973 397 T HN 0.920 nan 8.240 nan 0.000 0.465 398 A N 2.028 124.850 122.820 0.003 0.000 2.355 398 A HA 0.791 5.112 4.320 0.002 0.000 0.324 398 A C -0.286 177.287 177.584 -0.017 0.000 1.117 398 A CA -0.910 51.119 52.037 -0.012 0.000 0.785 398 A CB 1.279 20.271 19.000 -0.014 0.000 1.254 398 A HN 1.062 nan 8.150 nan 0.000 0.453 399 E N 1.196 121.382 120.200 -0.023 0.000 2.340 399 E HA 0.675 5.026 4.350 0.002 0.000 0.273 399 E C -1.947 174.637 176.600 -0.027 0.000 0.891 399 E CA -0.629 55.758 56.400 -0.022 0.000 0.757 399 E CB 1.851 31.540 29.700 -0.018 0.000 1.231 399 E HN 0.680 nan 8.360 nan 0.000 0.439 400 I N 3.203 123.758 120.570 -0.026 0.000 2.466 400 I HA 0.481 4.652 4.170 0.002 0.000 0.289 400 I C -1.517 174.583 176.117 -0.027 0.000 1.026 400 I CA -0.414 60.868 61.300 -0.029 0.000 1.078 400 I CB 1.043 39.023 38.000 -0.034 0.000 1.249 400 I HN 0.739 nan 8.210 nan 0.000 0.429 401 C N 5.880 125.163 119.300 -0.029 0.000 2.493 401 C HA 0.602 5.063 4.460 0.002 0.000 0.326 401 C C -0.590 174.380 174.990 -0.035 0.000 1.200 401 C CA -0.848 58.154 59.018 -0.026 0.000 1.739 401 C CB 1.481 29.208 27.740 -0.021 0.000 2.300 401 C HN 0.629 nan 8.230 nan 0.000 0.500 402 K N 1.672 122.054 120.400 -0.031 0.000 2.535 402 K HA 0.685 5.006 4.320 0.002 0.000 0.253 402 K C -0.996 175.587 176.600 -0.028 0.000 0.953 402 K CA 0.001 56.265 56.287 -0.039 0.000 0.863 402 K CB 1.972 34.449 32.500 -0.039 0.000 1.111 402 K HN 0.820 nan 8.250 nan 0.000 0.431 403 A N 1.296 124.099 122.820 -0.028 0.000 2.356 403 A HA 0.346 4.667 4.320 0.002 0.000 0.310 403 A C 0.927 178.501 177.584 -0.017 0.000 1.075 403 A CA -0.650 51.377 52.037 -0.017 0.000 0.746 403 A CB 1.149 20.143 19.000 -0.010 0.000 1.221 403 A HN 0.729 nan 8.150 nan 0.000 0.443 404 S N 1.316 117.009 115.700 -0.012 0.000 2.402 404 S HA -0.110 4.361 4.470 0.002 0.000 0.229 404 S C 0.715 175.314 174.600 -0.001 0.000 1.021 404 S CA 1.340 59.535 58.200 -0.009 0.000 0.974 404 S CB -0.340 62.857 63.200 -0.005 0.000 0.800 404 S HN 0.801 nan 8.310 nan 0.000 0.484 405 E N 2.014 122.215 120.200 0.001 0.000 2.217 405 E HA 0.436 4.787 4.350 0.002 0.000 0.279 405 E C -0.843 175.767 176.600 0.016 0.000 1.068 405 E CA -0.038 56.367 56.400 0.008 0.000 0.882 405 E CB 0.728 30.431 29.700 0.005 0.000 1.039 405 E HN 0.238 nan 8.360 nan 0.000 0.418 406 S N 5.097 120.813 115.700 0.027 0.000 2.502 406 S HA 0.455 4.926 4.470 0.002 0.000 0.304 406 S C -1.814 172.810 174.600 0.040 0.000 1.097 406 S CA -1.468 56.761 58.200 0.049 0.000 1.045 406 S CB 1.176 64.420 63.200 0.074 0.000 1.019 406 S HN 0.584 nan 8.310 nan 0.000 0.481 407 P HA 0.055 nan 4.420 nan 0.000 0.227 407 P C 0.449 177.740 177.300 -0.016 0.000 1.161 407 P CA 0.948 64.055 63.100 0.013 0.000 0.788 407 P CB 0.242 31.953 31.700 0.019 0.000 0.822 408 N N -1.070 117.621 118.700 -0.015 0.000 3.166 408 N HA -0.030 4.711 4.740 0.002 0.000 0.242 408 N C 0.559 175.986 175.510 -0.138 0.000 1.017 408 N CA 0.072 53.047 53.050 -0.126 0.000 1.113 408 N CB -0.169 38.180 38.487 -0.230 0.000 1.629 408 N HN -0.119 nan 8.380 nan 0.000 0.601 409 H N 1.184 120.275 119.070 0.035 0.000 2.690 409 H HA 0.214 4.771 4.556 0.002 0.000 0.365 409 H C 0.782 176.146 175.328 0.060 0.000 1.142 409 H CA 0.049 56.130 56.048 0.055 0.000 1.417 409 H CB 1.133 30.961 29.762 0.110 0.000 1.446 409 H HN 0.269 nan 8.280 nan 0.000 0.599 410 R N 0.913 121.529 120.500 0.194 0.000 2.105 410 R HA -0.034 4.307 4.340 0.002 0.000 0.239 410 R C -0.021 176.368 176.300 0.148 0.000 1.135 410 R CA 0.972 57.155 56.100 0.139 0.000 0.967 410 R CB 0.170 30.551 30.300 0.134 0.000 0.861 410 R HN 0.365 nan 8.270 nan 0.000 0.442 411 S N -0.729 115.099 115.700 0.213 0.000 2.533 411 S HA 0.444 4.915 4.470 0.002 0.000 0.271 411 S C -1.380 173.350 174.600 0.218 0.000 1.143 411 S CA -0.686 57.609 58.200 0.158 0.000 0.891 411 S CB 2.908 66.200 63.200 0.154 0.000 1.105 411 S HN 0.002 nan 8.310 nan 0.000 0.468 412 V N 2.672 122.646 119.914 0.100 0.000 3.120 412 V HA 0.750 4.871 4.120 0.002 0.000 0.303 412 V C -1.689 174.427 176.094 0.037 0.000 1.238 412 V CA -0.448 61.917 62.300 0.108 0.000 1.008 412 V CB 2.237 34.099 31.823 0.065 0.000 1.064 412 V HN 0.718 nan 8.190 nan 0.000 0.434 413 V N 4.553 124.527 119.914 0.101 0.000 2.495 413 V HA 0.613 4.734 4.120 0.002 0.000 0.298 413 V C -1.052 175.073 176.094 0.052 0.000 1.031 413 V CA -0.665 61.663 62.300 0.047 0.000 0.871 413 V CB 1.993 33.863 31.823 0.078 0.000 0.988 413 V HN 0.901 nan 8.190 nan 0.000 0.432 414 D N 3.544 123.958 120.400 0.023 0.000 2.217 414 D HA 0.481 5.123 4.640 0.002 0.000 0.243 414 D C -0.618 175.683 176.300 0.002 0.000 1.054 414 D CA -0.241 53.769 54.000 0.017 0.000 0.838 414 D CB 2.553 43.361 40.800 0.014 0.000 1.162 414 D HN 0.215 nan 8.370 nan 0.000 0.472 415 V N 2.672 122.585 119.914 -0.002 0.000 2.370 415 V HA 0.355 4.476 4.120 0.002 0.000 0.283 415 V C 0.244 176.322 176.094 -0.027 0.000 1.023 415 V CA -0.688 61.601 62.300 -0.019 0.000 0.857 415 V CB 1.602 33.411 31.823 -0.023 0.000 0.985 415 V HN 0.377 nan 8.190 nan 0.000 0.443 416 R N 3.984 124.465 120.500 -0.032 0.000 2.437 416 R HA 0.774 5.116 4.340 0.002 0.000 0.310 416 R C -0.621 175.653 176.300 -0.044 0.000 0.955 416 R CA -0.313 55.767 56.100 -0.034 0.000 0.851 416 R CB 1.511 31.795 30.300 -0.026 0.000 1.161 416 R HN 0.782 nan 8.270 nan 0.000 0.446 417 A N 4.314 127.106 122.820 -0.048 0.000 2.304 417 A HA 0.544 4.865 4.320 0.002 0.000 0.314 417 A C -1.048 176.511 177.584 -0.042 0.000 1.187 417 A CA -0.654 51.349 52.037 -0.056 0.000 0.810 417 A CB 1.490 20.447 19.000 -0.072 0.000 1.183 417 A HN 0.476 nan 8.150 nan 0.000 0.487 418 V N 2.592 122.484 119.914 -0.037 0.000 2.417 418 V HA 0.634 4.755 4.120 0.002 0.000 0.291 418 V C 1.055 177.136 176.094 -0.023 0.000 1.024 418 V CA -0.218 62.066 62.300 -0.026 0.000 0.861 418 V CB 1.353 33.163 31.823 -0.021 0.000 0.985 418 V HN 1.089 nan 8.190 nan 0.000 0.436 419 G N 2.471 111.260 108.800 -0.018 0.000 2.599 419 G HA2 0.464 4.425 3.960 0.002 0.000 0.264 419 G HA3 0.464 4.425 3.960 0.002 0.000 0.264 419 G C 1.046 175.942 174.900 -0.007 0.000 1.200 419 G CA 0.128 45.221 45.100 -0.012 0.000 0.896 419 G HN 0.994 nan 8.290 nan 0.000 0.536 420 A N 0.386 123.205 122.820 -0.002 0.000 1.902 420 A HA -0.087 4.235 4.320 0.002 0.000 0.217 420 A C 1.890 179.474 177.584 0.000 0.000 1.181 420 A CA 2.060 54.097 52.037 0.000 0.000 0.623 420 A CB -0.377 18.626 19.000 0.004 0.000 0.818 420 A HN 0.680 nan 8.150 nan 0.000 0.443 421 D N -1.305 119.096 120.400 0.001 0.000 2.358 421 D HA 0.192 4.833 4.640 0.002 0.000 0.241 421 D C 1.165 177.464 176.300 -0.002 0.000 1.094 421 D CA 0.985 54.985 54.000 0.001 0.000 0.907 421 D CB -0.871 39.931 40.800 0.003 0.000 0.893 421 D HN 0.819 nan 8.370 nan 0.000 0.528 422 G N 0.473 109.271 108.800 -0.004 0.000 2.179 422 G HA2 -0.332 3.629 3.960 0.002 0.000 0.260 422 G HA3 -0.332 3.629 3.960 0.002 0.000 0.260 422 G C 0.441 175.335 174.900 -0.009 0.000 0.977 422 G CA 0.530 45.626 45.100 -0.007 0.000 0.641 422 G HN 0.801 nan 8.290 nan 0.000 0.533 423 S N -0.618 115.076 115.700 -0.009 0.000 2.572 423 S HA 0.609 5.080 4.470 0.002 0.000 0.279 423 S C 0.136 174.726 174.600 -0.016 0.000 1.341 423 S CA 0.035 58.228 58.200 -0.011 0.000 1.043 423 S CB 2.407 65.603 63.200 -0.007 0.000 0.887 423 S HN 1.183 nan 8.310 nan 0.000 0.516 424 V N 2.171 122.072 119.914 -0.021 0.000 2.604 424 V HA 0.603 4.724 4.120 0.002 0.000 0.305 424 V C -0.458 175.617 176.094 -0.031 0.000 1.043 424 V CA -0.833 61.452 62.300 -0.026 0.000 0.888 424 V CB 1.708 33.516 31.823 -0.026 0.000 0.995 424 V HN 0.829 nan 8.190 nan 0.000 0.429 425 V N 2.996 122.890 119.914 -0.033 0.000 2.483 425 V HA 0.554 4.675 4.120 0.002 0.000 0.297 425 V C -0.068 176.003 176.094 -0.037 0.000 1.027 425 V CA -0.217 62.060 62.300 -0.037 0.000 0.855 425 V CB 2.167 33.968 31.823 -0.037 0.000 0.995 425 V HN 1.014 nan 8.190 nan 0.000 0.424 426 T N 4.197 118.729 114.554 -0.037 0.000 2.829 426 T HA 0.729 5.080 4.350 0.002 0.000 0.280 426 T C -0.574 174.112 174.700 -0.025 0.000 0.999 426 T CA -0.537 61.546 62.100 -0.029 0.000 0.983 426 T CB 2.021 70.874 68.868 -0.025 0.000 0.968 426 T HN 0.322 nan 8.240 nan 0.000 0.446 427 V N 2.475 122.378 119.914 -0.017 0.000 2.709 427 V HA 0.687 4.809 4.120 0.002 0.000 0.308 427 V C -0.544 175.555 176.094 0.008 0.000 1.062 427 V CA -0.674 61.620 62.300 -0.010 0.000 0.901 427 V CB 2.370 34.180 31.823 -0.022 0.000 1.003 427 V HN 1.052 nan 8.190 nan 0.000 0.425 428 S N 2.063 117.779 115.700 0.026 0.000 2.542 428 S HA 0.912 5.383 4.470 0.002 0.000 0.293 428 S C -0.081 174.543 174.600 0.040 0.000 1.089 428 S CA -0.631 57.593 58.200 0.039 0.000 0.961 428 S CB 2.106 65.336 63.200 0.051 0.000 1.062 428 S HN 1.144 nan 8.310 nan 0.000 0.483 429 G N 0.898 109.732 108.800 0.057 0.000 2.620 429 G HA2 0.725 4.686 3.960 0.002 0.000 0.301 429 G HA3 0.725 4.686 3.960 0.002 0.000 0.301 429 G C -0.743 174.209 174.900 0.086 0.000 1.347 429 G CA -0.707 44.422 45.100 0.048 0.000 0.971 429 G HN 0.763 nan 8.290 nan 0.000 0.488 430 T N -1.500 113.052 114.554 -0.004 0.000 2.858 430 T HA 0.805 5.156 4.350 0.002 0.000 0.285 430 T C -0.601 173.954 174.700 -0.242 0.000 1.052 430 T CA -0.899 61.214 62.100 0.021 0.000 1.009 430 T CB 1.686 70.594 68.868 0.066 0.000 1.241 430 T HN 0.476 nan 8.240 nan 0.000 0.542 431 L N 1.334 122.354 121.223 -0.338 0.000 2.436 431 L HA 0.766 5.107 4.340 0.002 0.000 0.268 431 L C -1.330 175.489 176.870 -0.084 0.000 0.974 431 L CA -1.167 53.414 54.840 -0.430 0.000 0.826 431 L CB 1.693 43.275 42.059 -0.794 0.000 1.291 431 L HN 0.966 nan 8.230 nan 0.000 0.406 432 Y N 0.637 120.889 120.300 -0.081 0.000 2.705 432 Y HA 0.905 5.456 4.550 0.002 0.000 0.332 432 Y C 0.058 175.953 175.900 -0.010 0.000 1.221 432 Y CA -0.805 57.292 58.100 -0.006 0.000 1.059 432 Y CB 1.164 39.651 38.460 0.045 0.000 1.298 432 Y HN 0.882 nan 8.280 nan 0.000 0.459 433 G N 0.570 109.550 108.800 0.300 0.000 2.756 433 G HA2 -0.095 3.866 3.960 0.002 0.000 0.678 433 G HA3 -0.095 3.866 3.960 0.002 0.000 0.678 433 G C -2.118 172.826 174.900 0.074 0.000 1.349 433 G CA -0.489 44.719 45.100 0.181 0.000 0.847 433 G HN 0.799 nan 8.290 nan 0.000 0.548 434 P HA -0.045 nan 4.420 nan 0.000 0.221 434 P C 1.185 178.499 177.300 0.023 0.000 1.150 434 P CA 1.324 64.451 63.100 0.045 0.000 0.800 434 P CB 0.142 31.862 31.700 0.034 0.000 0.787 435 Q N -0.656 119.138 119.800 -0.009 0.000 2.392 435 Q HA 0.187 4.528 4.340 0.002 0.000 0.203 435 Q C 1.198 177.155 176.000 -0.071 0.000 0.917 435 Q CA -0.334 55.448 55.803 -0.034 0.000 0.939 435 Q CB -0.273 28.436 28.738 -0.048 0.000 1.063 435 Q HN 0.304 nan 8.270 nan 0.000 0.516 436 L N 1.640 122.812 121.223 -0.085 0.000 3.678 436 L HA -0.205 4.137 4.340 0.002 0.000 0.425 436 L C -0.569 176.163 176.870 -0.230 0.000 1.240 436 L CA -0.100 54.650 54.840 -0.150 0.000 0.876 436 L CB -2.024 39.956 42.059 -0.131 0.000 1.766 436 L HN -0.003 nan 8.230 nan 0.000 0.917 437 S N 0.060 115.606 115.700 -0.257 0.000 2.546 437 S HA 0.133 4.604 4.470 0.002 0.000 0.290 437 S C 0.447 174.831 174.600 -0.361 0.000 1.290 437 S CA -0.227 57.801 58.200 -0.286 0.000 1.069 437 S CB 0.784 63.805 63.200 -0.300 0.000 0.846 437 S HN 0.317 nan 8.310 nan 0.000 0.495 438 Q N 2.311 121.947 119.800 -0.274 0.000 2.288 438 Q HA 0.308 4.649 4.340 0.002 0.000 0.258 438 Q C -0.318 175.559 176.000 -0.205 0.000 0.957 438 Q CA -0.137 55.510 55.803 -0.261 0.000 0.919 438 Q CB 0.690 29.312 28.738 -0.193 0.000 1.185 438 Q HN 0.352 nan 8.270 nan 0.000 0.408 439 K N 2.810 123.101 120.400 -0.183 0.000 2.378 439 K HA 0.435 4.757 4.320 0.002 0.000 0.252 439 K C -0.776 175.806 176.600 -0.029 0.000 0.931 439 K CA -0.856 55.378 56.287 -0.089 0.000 0.794 439 K CB 2.049 34.518 32.500 -0.052 0.000 1.181 439 K HN 0.478 nan 8.250 nan 0.000 0.425 440 I N 2.122 122.689 120.570 -0.005 0.000 2.441 440 I HA -0.016 4.155 4.170 0.002 0.000 0.287 440 I C 1.330 177.510 176.117 0.105 0.000 1.049 440 I CA 0.058 61.368 61.300 0.017 0.000 1.381 440 I CB 0.833 38.810 38.000 -0.038 0.000 1.409 440 I HN 0.480 nan 8.210 nan 0.000 0.523 441 V N 1.803 121.795 119.914 0.131 0.000 3.411 441 V HA 0.378 4.499 4.120 0.002 0.000 0.287 441 V C 0.016 176.279 176.094 0.282 0.000 1.543 441 V CA -0.103 62.339 62.300 0.236 0.000 1.028 441 V CB -0.195 31.719 31.823 0.152 0.000 0.840 441 V HN 0.799 nan 8.190 nan 0.000 0.435 442 Q N 0.468 120.388 119.800 0.200 0.000 2.353 442 Q HA 0.588 4.930 4.340 0.002 0.000 0.275 442 Q C -2.255 173.816 176.000 0.118 0.000 1.029 442 Q CA -0.687 55.204 55.803 0.147 0.000 0.848 442 Q CB 3.026 31.778 28.738 0.022 0.000 1.390 442 Q HN 0.391 nan 8.270 nan 0.000 0.401 443 I N 4.136 124.794 120.570 0.147 0.000 2.476 443 I HA 0.272 4.444 4.170 0.002 0.000 0.281 443 I C -0.451 175.664 176.117 -0.003 0.000 1.040 443 I CA -0.525 60.807 61.300 0.054 0.000 1.094 443 I CB 1.497 39.530 38.000 0.055 0.000 1.219 443 I HN 0.851 nan 8.210 nan 0.000 0.450 444 N N 4.900 123.570 118.700 -0.050 0.000 2.740 444 N HA -0.190 4.551 4.740 0.002 0.000 0.248 444 N C 1.093 176.533 175.510 -0.116 0.000 1.062 444 N CA 1.252 54.250 53.050 -0.085 0.000 0.704 444 N CB -0.637 37.779 38.487 -0.118 0.000 0.968 444 N HN 1.166 nan 8.380 nan 0.000 0.547 445 G N -1.379 107.332 108.800 -0.149 0.000 2.162 445 G HA2 -0.364 3.597 3.960 0.002 0.000 0.260 445 G HA3 -0.364 3.597 3.960 0.002 0.000 0.260 445 G C 0.161 174.847 174.900 -0.357 0.000 0.976 445 G CA 0.720 45.688 45.100 -0.221 0.000 0.655 445 G HN 0.425 nan 8.290 nan 0.000 0.533 446 R N 0.138 120.451 120.500 -0.313 0.000 2.474 446 R HA 0.733 5.074 4.340 0.002 0.000 0.295 446 R C -0.094 175.886 176.300 -0.533 0.000 0.980 446 R CA -1.012 54.873 56.100 -0.359 0.000 0.934 446 R CB 0.658 30.852 30.300 -0.177 0.000 1.101 446 R HN 0.539 nan 8.270 nan 0.000 0.469 447 H N 1.015 119.838 119.070 -0.412 0.000 2.573 447 H HA 0.684 5.241 4.556 0.002 0.000 0.351 447 H C -0.646 174.329 175.328 -0.589 0.000 1.163 447 H CA -0.181 55.707 56.048 -0.268 0.000 1.205 447 H CB 1.248 30.936 29.762 -0.122 0.000 1.605 447 H HN 0.352 nan 8.280 nan 0.000 0.525 448 F N -0.435 119.628 119.950 0.188 0.000 2.779 448 F HA 0.253 4.782 4.527 0.002 0.000 0.316 448 F C -1.026 174.861 175.800 0.145 0.000 1.164 448 F CA -0.848 57.227 58.000 0.125 0.000 0.924 448 F CB 1.897 40.943 39.000 0.077 0.000 1.348 448 F HN 0.437 nan 8.300 nan 0.000 0.467 449 D N 2.224 122.835 120.400 0.351 0.000 2.411 449 D HA 0.409 5.050 4.640 0.002 0.000 0.239 449 D C -1.725 174.687 176.300 0.186 0.000 1.307 449 D CA 0.218 54.375 54.000 0.262 0.000 0.930 449 D CB 0.764 41.715 40.800 0.253 0.000 1.395 449 D HN 0.421 nan 8.370 nan 0.000 0.536 450 L N 1.843 123.143 121.223 0.129 0.000 2.381 450 L HA 0.531 4.873 4.340 0.002 0.000 0.268 450 L C 0.663 177.535 176.870 0.003 0.000 0.997 450 L CA -0.985 53.888 54.840 0.054 0.000 0.818 450 L CB 2.406 44.470 42.059 0.008 0.000 1.310 450 L HN 0.007 nan 8.230 nan 0.000 0.416 451 R N 1.292 121.782 120.500 -0.017 0.000 2.570 451 R HA 0.215 4.556 4.340 0.002 0.000 0.277 451 R C 0.062 176.330 176.300 -0.054 0.000 1.039 451 R CA -0.033 56.037 56.100 -0.050 0.000 1.065 451 R CB 0.676 30.948 30.300 -0.046 0.000 0.964 451 R HN 0.687 nan 8.270 nan 0.000 0.428 452 A N 5.007 127.786 122.820 -0.068 0.000 2.922 452 A HA 0.158 4.479 4.320 0.002 0.000 0.298 452 A C -0.295 177.257 177.584 -0.055 0.000 1.588 452 A CA -0.091 51.909 52.037 -0.062 0.000 1.288 452 A CB -0.279 18.681 19.000 -0.067 0.000 1.130 452 A HN 0.758 nan 8.150 nan 0.000 0.557 453 Q N 0.994 120.766 119.800 -0.046 0.000 2.633 453 Q HA 0.561 4.903 4.340 0.002 0.000 0.289 453 Q C 0.037 176.018 176.000 -0.032 0.000 0.940 453 Q CA -0.337 55.443 55.803 -0.038 0.000 0.785 453 Q CB 0.588 29.303 28.738 -0.039 0.000 1.467 453 Q HN 1.986 nan 8.270 nan 0.000 0.401 454 G N 0.624 109.409 108.800 -0.025 0.000 2.752 454 G HA2 -0.214 3.747 3.960 0.002 0.000 0.234 454 G HA3 -0.214 3.747 3.960 0.002 0.000 0.234 454 G C -0.633 174.255 174.900 -0.021 0.000 1.367 454 G CA -0.245 44.843 45.100 -0.021 0.000 0.879 454 G HN 0.743 nan 8.290 nan 0.000 0.563 455 I N 2.118 122.677 120.570 -0.018 0.000 2.379 455 I HA 0.223 4.394 4.170 0.002 0.000 0.290 455 I C 0.510 176.613 176.117 -0.023 0.000 1.063 455 I CA -0.086 61.204 61.300 -0.018 0.000 1.351 455 I CB 0.589 38.582 38.000 -0.013 0.000 1.410 455 I HN 0.363 nan 8.210 nan 0.000 0.505 456 N N 6.728 125.410 118.700 -0.029 0.000 2.321 456 N HA 0.464 5.205 4.740 0.002 0.000 0.299 456 N C -1.275 174.214 175.510 -0.034 0.000 1.048 456 N CA -0.736 52.291 53.050 -0.039 0.000 0.836 456 N CB 2.897 41.349 38.487 -0.059 0.000 1.269 456 N HN 0.273 nan 8.380 nan 0.000 0.486 457 L N 2.763 123.968 121.223 -0.030 0.000 2.296 457 L HA 0.621 4.963 4.340 0.002 0.000 0.286 457 L C -1.296 175.564 176.870 -0.017 0.000 1.023 457 L CA -0.353 54.477 54.840 -0.016 0.000 0.812 457 L CB 0.824 42.879 42.059 -0.007 0.000 1.223 457 L HN 0.396 nan 8.230 nan 0.000 0.421 458 I N 6.214 126.781 120.570 -0.005 0.000 2.433 458 I HA 0.504 4.675 4.170 0.002 0.000 0.292 458 I C -0.630 175.530 176.117 0.072 0.000 1.001 458 I CA -0.061 61.243 61.300 0.007 0.000 1.119 458 I CB 1.759 39.745 38.000 -0.024 0.000 1.289 458 I HN 0.485 nan 8.210 nan 0.000 0.438 459 I N 5.072 125.725 120.570 0.139 0.000 2.478 459 I HA 0.304 4.475 4.170 0.002 0.000 0.287 459 I C -0.650 175.696 176.117 0.380 0.000 1.042 459 I CA -0.550 60.889 61.300 0.231 0.000 1.067 459 I CB 1.716 39.839 38.000 0.204 0.000 1.233 459 I HN 0.581 nan 8.210 nan 0.000 0.431 460 H N 7.249 126.467 119.070 0.247 0.000 2.581 460 H HA 0.472 5.029 4.556 0.002 0.000 0.308 460 H C -1.587 173.981 175.328 0.400 0.000 1.040 460 H CA -0.559 55.651 56.048 0.270 0.000 1.231 460 H CB 1.008 30.898 29.762 0.214 0.000 1.396 460 H HN 0.637 nan 8.280 nan 0.000 0.467 461 Y N 1.729 122.130 120.300 0.169 0.000 2.669 461 Y HA 0.495 5.046 4.550 0.002 0.000 0.335 461 Y C -1.613 174.283 175.900 -0.006 0.000 1.116 461 Y CA -1.294 56.781 58.100 -0.042 0.000 1.081 461 Y CB 0.389 38.836 38.460 -0.023 0.000 1.297 461 Y HN 0.131 nan 8.280 nan 0.000 0.484 462 V N 2.194 122.137 119.914 0.049 0.000 2.408 462 V HA 0.092 4.213 4.120 0.002 0.000 0.267 462 V C -0.577 175.615 176.094 0.164 0.000 1.047 462 V CA -0.192 62.127 62.300 0.031 0.000 0.937 462 V CB 0.563 32.355 31.823 -0.052 0.000 0.999 462 V HN 0.751 nan 8.190 nan 0.000 0.472 463 D N 5.460 125.892 120.400 0.053 0.000 2.359 463 D HA 0.209 4.850 4.640 0.002 0.000 0.250 463 D C 0.187 176.554 176.300 0.111 0.000 1.264 463 D CA 0.241 54.308 54.000 0.112 0.000 0.911 463 D CB 0.167 40.984 40.800 0.027 0.000 1.056 463 D HN 0.435 nan 8.370 nan 0.000 0.499 464 R N 3.492 124.075 120.500 0.139 0.000 2.740 464 R HA 0.452 4.793 4.340 0.002 0.000 0.282 464 R C -2.323 174.024 176.300 0.078 0.000 0.969 464 R CA -2.126 54.023 56.100 0.081 0.000 0.918 464 R CB 1.516 31.851 30.300 0.058 0.000 1.175 464 R HN 0.304 nan 8.270 nan 0.000 0.464 465 P HA -0.058 nan 4.420 nan 0.000 0.263 465 P C 0.498 177.817 177.300 0.032 0.000 1.175 465 P CA 1.172 64.297 63.100 0.041 0.000 0.761 465 P CB 0.515 32.231 31.700 0.028 0.000 0.794 466 G N 1.806 110.621 108.800 0.026 0.000 2.234 466 G HA2 -0.313 3.649 3.960 0.002 0.000 0.235 466 G HA3 -0.313 3.649 3.960 0.002 0.000 0.235 466 G C 1.201 176.094 174.900 -0.012 0.000 0.997 466 G CA 0.682 45.786 45.100 0.006 0.000 0.623 466 G HN 0.703 nan 8.290 nan 0.000 0.514 467 A N 0.286 123.108 122.820 0.003 0.000 1.849 467 A HA 0.182 4.503 4.320 0.002 0.000 0.217 467 A C 2.388 179.887 177.584 -0.141 0.000 1.202 467 A CA 2.609 54.606 52.037 -0.066 0.000 0.629 467 A CB -0.537 18.503 19.000 0.067 0.000 0.834 467 A HN 1.347 nan 8.150 nan 0.000 0.447 468 L N 0.237 121.433 121.223 -0.046 0.000 2.127 468 L HA -0.043 4.298 4.340 0.002 0.000 0.211 468 L C 2.311 179.154 176.870 -0.045 0.000 1.089 468 L CA 2.253 57.069 54.840 -0.040 0.000 0.757 468 L CB -1.180 40.912 42.059 0.055 0.000 0.899 468 L HN 0.335 nan 8.230 nan 0.000 0.434 469 G N -0.949 107.834 108.800 -0.029 0.000 2.402 469 G HA2 -0.224 3.737 3.960 0.002 0.000 0.216 469 G HA3 -0.224 3.737 3.960 0.002 0.000 0.216 469 G C 1.695 176.570 174.900 -0.041 0.000 1.162 469 G CA 0.579 45.664 45.100 -0.024 0.000 0.777 469 G HN 0.386 nan 8.290 nan 0.000 0.539 470 K N -0.069 120.295 120.400 -0.061 0.000 2.057 470 K HA 0.033 4.354 4.320 0.002 0.000 0.207 470 K C 2.456 179.008 176.600 -0.080 0.000 1.049 470 K CA 0.860 57.107 56.287 -0.067 0.000 0.931 470 K CB -0.248 32.205 32.500 -0.078 0.000 0.714 470 K HN 0.335 nan 8.250 nan 0.000 0.440 471 I N 0.611 121.112 120.570 -0.116 0.000 2.163 471 I HA -0.233 3.938 4.170 0.002 0.000 0.243 471 I C 2.537 178.618 176.117 -0.060 0.000 1.085 471 I CA 1.574 62.809 61.300 -0.109 0.000 1.347 471 I CB -0.719 37.190 38.000 -0.151 0.000 1.044 471 I HN 0.279 nan 8.210 nan 0.000 0.408 472 G N -0.026 108.747 108.800 -0.045 0.000 2.418 472 G HA2 -0.208 3.753 3.960 0.002 0.000 0.217 472 G HA3 -0.208 3.753 3.960 0.002 0.000 0.217 472 G C 1.663 176.549 174.900 -0.022 0.000 1.158 472 G CA 1.332 46.417 45.100 -0.024 0.000 0.771 472 G HN 0.286 nan 8.290 nan 0.000 0.545 473 T N 1.361 115.899 114.554 -0.026 0.000 2.708 473 T HA -0.054 4.297 4.350 0.002 0.000 0.266 473 T C 2.433 177.120 174.700 -0.022 0.000 1.037 473 T CA 1.007 63.094 62.100 -0.021 0.000 1.146 473 T CB -0.217 68.638 68.868 -0.022 0.000 0.865 473 T HN 0.139 nan 8.240 nan 0.000 0.435 474 L N 0.273 121.479 121.223 -0.029 0.000 2.027 474 L HA -0.065 4.276 4.340 0.002 0.000 0.206 474 L C 2.451 179.308 176.870 -0.021 0.000 1.074 474 L CA 0.629 55.453 54.840 -0.027 0.000 0.745 474 L CB -0.525 41.513 42.059 -0.034 0.000 0.898 474 L HN 0.201 nan 8.230 nan 0.000 0.433 475 L N 0.101 121.311 121.223 -0.022 0.000 2.012 475 L HA -0.161 4.180 4.340 0.002 0.000 0.210 475 L C 2.594 179.457 176.870 -0.012 0.000 1.073 475 L CA 2.279 57.109 54.840 -0.016 0.000 0.748 475 L CB -1.963 40.087 42.059 -0.015 0.000 0.891 475 L HN 0.275 nan 8.230 nan 0.000 0.431 476 G N -2.320 106.473 108.800 -0.011 0.000 2.408 476 G HA2 -0.209 3.752 3.960 0.002 0.000 0.217 476 G HA3 -0.209 3.752 3.960 0.002 0.000 0.217 476 G C 1.528 176.424 174.900 -0.008 0.000 1.150 476 G CA 1.064 46.159 45.100 -0.008 0.000 0.776 476 G HN 0.378 nan 8.290 nan 0.000 0.542 477 T N 1.241 115.789 114.554 -0.010 0.000 2.962 477 T HA 0.119 4.470 4.350 0.002 0.000 0.270 477 T C 2.331 177.026 174.700 -0.009 0.000 1.088 477 T CA 1.129 63.223 62.100 -0.010 0.000 1.127 477 T CB -0.086 68.775 68.868 -0.012 0.000 0.883 477 T HN 0.342 nan 8.240 nan 0.000 0.493 478 A N 0.199 123.013 122.820 -0.009 0.000 2.337 478 A HA 0.569 4.891 4.320 0.002 0.000 0.227 478 A C 1.846 179.426 177.584 -0.007 0.000 1.259 478 A CA 0.541 52.573 52.037 -0.008 0.000 0.870 478 A CB -0.676 18.319 19.000 -0.010 0.000 0.927 478 A HN 0.575 nan 8.150 nan 0.000 0.497 479 G N -1.221 107.576 108.800 -0.006 0.000 2.168 479 G HA2 -0.227 3.734 3.960 0.002 0.000 0.263 479 G HA3 -0.227 3.734 3.960 0.002 0.000 0.263 479 G C 0.220 175.118 174.900 -0.005 0.000 0.977 479 G CA 0.380 45.477 45.100 -0.005 0.000 0.659 479 G HN 0.792 nan 8.290 nan 0.000 0.533 480 V N 1.919 121.830 119.914 -0.006 0.000 2.432 480 V HA 0.338 4.459 4.120 0.002 0.000 0.271 480 V C 0.284 176.375 176.094 -0.004 0.000 1.046 480 V CA -0.886 61.410 62.300 -0.005 0.000 0.945 480 V CB 1.256 33.075 31.823 -0.007 0.000 0.992 480 V HN 0.355 nan 8.190 nan 0.000 0.471 481 N N 4.742 123.440 118.700 -0.003 0.000 2.473 481 N HA 0.532 5.273 4.740 0.002 0.000 0.291 481 N C -0.646 174.864 175.510 -0.000 0.000 1.083 481 N CA -0.421 52.629 53.050 -0.001 0.000 0.951 481 N CB 2.519 41.006 38.487 -0.000 0.000 1.164 481 N HN 0.481 nan 8.380 nan 0.000 0.480 482 I N 2.066 122.638 120.570 0.003 0.000 2.312 482 I HA 0.122 4.294 4.170 0.002 0.000 0.290 482 I C 1.521 177.643 176.117 0.008 0.000 1.008 482 I CA -0.210 61.093 61.300 0.005 0.000 1.226 482 I CB 1.298 39.304 38.000 0.009 0.000 1.371 482 I HN 0.348 nan 8.210 nan 0.000 0.468 483 Q N 4.684 124.488 119.800 0.006 0.000 2.212 483 Q HA 0.291 4.633 4.340 0.002 0.000 0.199 483 Q C 0.382 176.390 176.000 0.013 0.000 0.950 483 Q CA 0.471 56.278 55.803 0.007 0.000 0.863 483 Q CB 0.483 29.222 28.738 0.002 0.000 0.944 483 Q HN 0.816 nan 8.270 nan 0.000 0.465 484 A N -0.386 122.444 122.820 0.016 0.000 2.586 484 A HA 0.801 5.122 4.320 0.002 0.000 0.291 484 A C -1.867 175.737 177.584 0.034 0.000 1.062 484 A CA -0.102 51.952 52.037 0.028 0.000 0.666 484 A CB 1.321 20.338 19.000 0.029 0.000 1.281 484 A HN 0.092 nan 8.150 nan 0.000 0.421 485 A N 0.253 123.107 122.820 0.057 0.000 2.582 485 A HA 0.723 5.044 4.320 0.002 0.000 0.297 485 A C -1.484 176.173 177.584 0.121 0.000 1.059 485 A CA -0.337 51.744 52.037 0.073 0.000 0.705 485 A CB 1.189 20.227 19.000 0.063 0.000 1.279 485 A HN 0.997 nan 8.150 nan 0.000 0.404 486 Q N 0.241 120.151 119.800 0.183 0.000 2.309 486 Q HA 0.624 4.965 4.340 0.002 0.000 0.273 486 Q C -1.690 174.540 176.000 0.382 0.000 1.040 486 Q CA -0.773 55.193 55.803 0.273 0.000 0.834 486 Q CB 2.883 31.848 28.738 0.378 0.000 1.345 486 Q HN 0.931 nan 8.270 nan 0.000 0.414 487 L N 0.637 122.021 121.223 0.268 0.000 2.409 487 L HA 0.681 5.022 4.340 0.002 0.000 0.272 487 L C -1.439 175.496 176.870 0.109 0.000 0.980 487 L CA 0.104 55.096 54.840 0.253 0.000 0.826 487 L CB 2.280 44.468 42.059 0.215 0.000 1.268 487 L HN 0.609 nan 8.230 nan 0.000 0.407 488 S N 2.780 118.501 115.700 0.034 0.000 2.621 488 S HA 0.691 5.162 4.470 0.002 0.000 0.302 488 S C -0.895 173.683 174.600 -0.036 0.000 1.093 488 S CA -0.788 57.358 58.200 -0.090 0.000 1.017 488 S CB 1.626 64.648 63.200 -0.296 0.000 1.077 488 S HN 0.761 nan 8.310 nan 0.000 0.517 489 E N 0.622 120.798 120.200 -0.040 0.000 2.204 489 E HA 0.363 4.714 4.350 0.002 0.000 0.276 489 E C -1.362 175.218 176.600 -0.033 0.000 0.974 489 E CA -0.802 55.581 56.400 -0.030 0.000 0.815 489 E CB 0.552 30.243 29.700 -0.015 0.000 1.119 489 E HN 0.349 nan 8.360 nan 0.000 0.393 490 D N 1.920 122.308 120.400 -0.021 0.000 2.423 490 D HA 0.058 4.699 4.640 0.002 0.000 0.238 490 D C 0.862 177.154 176.300 -0.014 0.000 1.142 490 D CA 0.455 54.446 54.000 -0.016 0.000 0.884 490 D CB 1.394 42.200 40.800 0.011 0.000 1.199 490 D HN 0.641 nan 8.370 nan 0.000 0.438 491 A N 2.877 125.687 122.820 -0.016 0.000 1.877 491 A HA -0.160 4.161 4.320 0.002 0.000 0.216 491 A C 0.873 178.453 177.584 -0.007 0.000 1.186 491 A CA 1.258 53.289 52.037 -0.009 0.000 0.620 491 A CB -0.198 18.798 19.000 -0.006 0.000 0.822 491 A HN 0.711 nan 8.150 nan 0.000 0.443 492 E N -1.343 118.852 120.200 -0.008 0.000 4.017 492 E HA 0.505 4.856 4.350 0.002 0.000 0.205 492 E C 0.073 176.670 176.600 -0.005 0.000 1.054 492 E CA -0.022 56.375 56.400 -0.006 0.000 1.398 492 E CB 0.347 30.042 29.700 -0.007 0.000 1.164 492 E HN 0.396 nan 8.360 nan 0.000 0.445 493 G N 1.625 110.425 108.800 -0.000 0.000 2.766 493 G HA2 0.478 4.439 3.960 0.002 0.000 0.288 493 G HA3 0.478 4.439 3.960 0.002 0.000 0.288 493 G C -2.241 172.669 174.900 0.015 0.000 1.408 493 G CA -1.149 43.954 45.100 0.005 0.000 0.852 493 G HN -0.001 nan 8.290 nan 0.000 0.487 494 P HA 0.241 nan 4.420 nan 0.000 0.255 494 P C 0.749 178.073 177.300 0.039 0.000 1.248 494 P CA 0.275 63.398 63.100 0.040 0.000 0.807 494 P CB 0.820 32.557 31.700 0.061 0.000 1.150 495 G N -0.139 108.683 108.800 0.037 0.000 2.601 495 G HA2 0.690 4.651 3.960 0.002 0.000 0.317 495 G HA3 0.690 4.651 3.960 0.002 0.000 0.317 495 G C -1.390 173.471 174.900 -0.065 0.000 1.246 495 G CA -0.418 44.691 45.100 0.016 0.000 1.012 495 G HN 0.281 nan 8.290 nan 0.000 0.494 496 A N -0.922 121.770 122.820 -0.212 0.000 2.594 496 A HA 0.822 5.143 4.320 0.002 0.000 0.295 496 A C -0.541 176.951 177.584 -0.154 0.000 1.071 496 A CA -0.076 51.790 52.037 -0.284 0.000 0.685 496 A CB 1.831 20.489 19.000 -0.569 0.000 1.285 496 A HN 1.648 nan 8.150 nan 0.000 0.405 497 T N 0.608 115.192 114.554 0.050 0.000 2.928 497 T HA 0.637 4.988 4.350 0.002 0.000 0.296 497 T C -0.901 174.003 174.700 0.339 0.000 1.000 497 T CA -0.373 61.858 62.100 0.218 0.000 0.989 497 T CB 0.441 69.382 68.868 0.122 0.000 1.005 497 T HN 1.034 nan 8.240 nan 0.000 0.442 498 I N 3.892 124.667 120.570 0.341 0.000 2.846 498 I HA 0.791 4.963 4.170 0.002 0.000 0.307 498 I C -1.824 174.364 176.117 0.117 0.000 1.053 498 I CA -1.728 59.753 61.300 0.302 0.000 1.050 498 I CB 2.010 40.200 38.000 0.316 0.000 1.239 498 I HN 0.712 nan 8.210 nan 0.000 0.439 499 L N 6.222 127.458 121.223 0.021 0.000 2.438 499 L HA 0.564 4.905 4.340 0.002 0.000 0.270 499 L C -1.710 175.137 176.870 -0.038 0.000 0.972 499 L CA -0.185 54.579 54.840 -0.127 0.000 0.831 499 L CB 1.864 43.665 42.059 -0.431 0.000 1.273 499 L HN 0.415 nan 8.230 nan 0.000 0.405 500 L N 4.132 125.338 121.223 -0.030 0.000 2.409 500 L HA 0.582 4.923 4.340 0.002 0.000 0.272 500 L C -0.301 176.557 176.870 -0.020 0.000 0.980 500 L CA -0.432 54.404 54.840 -0.007 0.000 0.826 500 L CB 1.884 43.948 42.059 0.008 0.000 1.268 500 L HN 0.439 nan 8.230 nan 0.000 0.407 501 R N 2.607 123.099 120.500 -0.014 0.000 2.221 501 R HA 0.650 4.992 4.340 0.002 0.000 0.327 501 R C -1.217 175.077 176.300 -0.009 0.000 1.033 501 R CA -0.608 55.482 56.100 -0.017 0.000 0.887 501 R CB 0.661 30.951 30.300 -0.016 0.000 1.057 501 R HN 0.398 nan 8.270 nan 0.000 0.455 502 L N 3.231 124.448 121.223 -0.011 0.000 2.322 502 L HA 0.225 4.566 4.340 0.002 0.000 0.269 502 L C 0.853 177.719 176.870 -0.007 0.000 1.012 502 L CA -0.253 54.583 54.840 -0.007 0.000 0.815 502 L CB 1.663 43.717 42.059 -0.008 0.000 1.295 502 L HN 0.716 nan 8.230 nan 0.000 0.438 503 D N -0.070 120.327 120.400 -0.005 0.000 2.340 503 D HA -0.003 4.638 4.640 0.002 0.000 0.220 503 D C 0.045 176.342 176.300 -0.006 0.000 1.039 503 D CA 0.190 54.187 54.000 -0.005 0.000 0.866 503 D CB 0.601 41.399 40.800 -0.004 0.000 0.913 503 D HN 0.625 nan 8.370 nan 0.000 0.523 504 Q N -1.163 118.633 119.800 -0.006 0.000 2.791 504 Q HA 0.177 4.518 4.340 0.002 0.000 0.280 504 Q C -1.841 174.155 176.000 -0.006 0.000 0.928 504 Q CA -0.885 54.914 55.803 -0.006 0.000 0.819 504 Q CB 0.311 29.047 28.738 -0.005 0.000 1.552 504 Q HN -0.210 nan 8.270 nan 0.000 0.410 505 D N 0.314 120.711 120.400 -0.006 0.000 2.378 505 D HA 0.280 4.921 4.640 0.002 0.000 0.238 505 D C -0.706 175.591 176.300 -0.006 0.000 1.180 505 D CA 0.080 54.077 54.000 -0.006 0.000 0.895 505 D CB 1.282 42.079 40.800 -0.004 0.000 1.192 505 D HN 0.362 nan 8.370 nan 0.000 0.438 506 V N 4.168 124.079 119.914 -0.006 0.000 2.311 506 V HA 0.275 4.397 4.120 0.002 0.000 0.275 506 V C -2.004 174.086 176.094 -0.006 0.000 1.022 506 V CA -1.651 60.645 62.300 -0.007 0.000 0.830 506 V CB 1.063 32.882 31.823 -0.008 0.000 1.012 506 V HN 0.542 nan 8.190 nan 0.000 0.452 507 P HA -0.043 nan 4.420 nan 0.000 0.264 507 P C 0.782 178.079 177.300 -0.005 0.000 1.173 507 P CA 0.360 63.458 63.100 -0.005 0.000 0.761 507 P CB 0.637 32.334 31.700 -0.006 0.000 0.794 508 D N 2.039 122.436 120.400 -0.004 0.000 2.126 508 D HA -0.202 4.440 4.640 0.002 0.000 0.190 508 D C 1.184 177.481 176.300 -0.005 0.000 1.001 508 D CA 1.603 55.601 54.000 -0.003 0.000 0.841 508 D CB -0.286 40.513 40.800 -0.002 0.000 0.949 508 D HN 0.435 nan 8.370 nan 0.000 0.446 509 D N -0.179 120.217 120.400 -0.006 0.000 2.170 509 D HA -0.138 4.503 4.640 0.002 0.000 0.193 509 D C 2.133 178.427 176.300 -0.010 0.000 1.004 509 D CA 0.565 54.561 54.000 -0.008 0.000 0.860 509 D CB -0.242 40.554 40.800 -0.007 0.000 0.931 509 D HN 0.128 nan 8.370 nan 0.000 0.448 510 V N 0.250 120.157 119.914 -0.011 0.000 2.719 510 V HA -0.103 4.018 4.120 0.002 0.000 0.252 510 V C 2.325 178.409 176.094 -0.016 0.000 1.065 510 V CA 1.133 63.425 62.300 -0.014 0.000 1.086 510 V CB -0.244 31.571 31.823 -0.013 0.000 0.700 510 V HN 0.129 nan 8.190 nan 0.000 0.467 511 R N 0.009 120.502 120.500 -0.012 0.000 2.066 511 R HA -0.109 4.233 4.340 0.002 0.000 0.232 511 R C 2.449 178.741 176.300 -0.013 0.000 1.131 511 R CA 1.871 57.964 56.100 -0.011 0.000 0.955 511 R CB -0.819 29.479 30.300 -0.004 0.000 0.851 511 R HN 0.443 nan 8.270 nan 0.000 0.432 512 T N 1.174 115.721 114.554 -0.011 0.000 2.699 512 T HA -0.205 4.147 4.350 0.002 0.000 0.268 512 T C 1.946 176.634 174.700 -0.020 0.000 1.036 512 T CA 1.582 63.674 62.100 -0.013 0.000 1.147 512 T CB -0.291 68.570 68.868 -0.010 0.000 0.862 512 T HN 0.404 nan 8.240 nan 0.000 0.446 513 A N 1.189 123.996 122.820 -0.021 0.000 1.858 513 A HA -0.026 4.295 4.320 0.002 0.000 0.216 513 A C 2.291 179.853 177.584 -0.037 0.000 1.190 513 A CA 1.347 53.368 52.037 -0.027 0.000 0.617 513 A CB -0.878 18.107 19.000 -0.024 0.000 0.827 513 A HN 0.502 nan 8.150 nan 0.000 0.443 514 I N -0.003 120.543 120.570 -0.039 0.000 2.194 514 I HA -0.353 3.818 4.170 0.002 0.000 0.246 514 I C 2.903 178.983 176.117 -0.062 0.000 1.093 514 I CA 1.304 62.570 61.300 -0.056 0.000 1.355 514 I CB -0.270 37.700 38.000 -0.050 0.000 1.046 514 I HN 0.374 nan 8.210 nan 0.000 0.413 515 A N 0.268 123.063 122.820 -0.042 0.000 1.969 515 A HA -0.039 4.282 4.320 0.002 0.000 0.218 515 A C 2.457 180.011 177.584 -0.050 0.000 1.169 515 A CA 1.655 53.669 52.037 -0.038 0.000 0.635 515 A CB -0.640 18.348 19.000 -0.020 0.000 0.810 515 A HN 0.437 nan 8.150 nan 0.000 0.445 516 A N -0.552 122.241 122.820 -0.045 0.000 2.021 516 A HA 0.404 4.725 4.320 0.002 0.000 0.216 516 A C 2.370 179.922 177.584 -0.053 0.000 1.163 516 A CA 1.373 53.383 52.037 -0.046 0.000 0.676 516 A CB -0.673 18.306 19.000 -0.034 0.000 0.818 516 A HN 0.854 nan 8.150 nan 0.000 0.453 517 A N 0.074 122.858 122.820 -0.059 0.000 1.898 517 A HA 0.253 4.574 4.320 0.002 0.000 0.216 517 A C 1.377 178.913 177.584 -0.080 0.000 1.181 517 A CA 1.451 53.450 52.037 -0.065 0.000 0.620 517 A CB -1.158 17.800 19.000 -0.069 0.000 0.819 517 A HN 1.012 nan 8.150 nan 0.000 0.442 518 V N -2.933 116.916 119.914 -0.107 0.000 3.234 518 V HA 0.587 4.708 4.120 0.002 0.000 0.317 518 V C -0.715 175.331 176.094 -0.079 0.000 1.081 518 V CA -0.814 61.419 62.300 -0.111 0.000 1.037 518 V CB 1.231 32.903 31.823 -0.251 0.000 1.148 518 V HN 0.183 nan 8.190 nan 0.000 0.453 519 D N 1.889 122.243 120.400 -0.076 0.000 2.638 519 D HA 0.601 5.242 4.640 0.002 0.000 0.245 519 D C 0.341 176.479 176.300 -0.271 0.000 1.176 519 D CA 0.164 54.069 54.000 -0.158 0.000 0.996 519 D CB 0.335 41.027 40.800 -0.180 0.000 1.012 519 D HN 1.064 nan 8.370 nan 0.000 0.515 520 A N 1.361 124.090 122.820 -0.152 0.000 2.492 520 A HA 0.088 4.409 4.320 0.002 0.000 0.254 520 A C 0.376 177.860 177.584 -0.167 0.000 1.091 520 A CA 0.044 52.018 52.037 -0.105 0.000 0.768 520 A CB 0.132 19.140 19.000 0.014 0.000 1.028 520 A HN 0.546 nan 8.150 nan 0.000 0.498 521 Y N 1.900 122.187 120.300 -0.022 0.000 2.200 521 Y HA 0.024 4.575 4.550 0.002 0.000 0.290 521 Y C 1.275 177.199 175.900 0.040 0.000 1.137 521 Y CA 1.828 59.915 58.100 -0.023 0.000 1.163 521 Y CB 0.113 38.518 38.460 -0.092 0.000 0.988 521 Y HN 0.605 nan 8.280 nan 0.000 0.518 522 K N 0.070 120.622 120.400 0.253 0.000 2.498 522 K HA 0.615 4.936 4.320 0.002 0.000 0.254 522 K C -2.078 174.614 176.600 0.154 0.000 0.933 522 K CA -0.751 55.650 56.287 0.191 0.000 0.806 522 K CB 1.990 34.620 32.500 0.218 0.000 1.301 522 K HN 0.003 nan 8.250 nan 0.000 0.432 523 L N 2.756 124.037 121.223 0.097 0.000 2.661 523 L HA 0.456 4.797 4.340 0.002 0.000 0.263 523 L C -1.687 175.209 176.870 0.044 0.000 0.956 523 L CA -0.220 54.662 54.840 0.071 0.000 0.918 523 L CB 1.377 43.465 42.059 0.048 0.000 1.280 523 L HN 0.658 nan 8.230 nan 0.000 0.416 524 E N 3.686 123.907 120.200 0.035 0.000 2.343 524 E HA 0.610 4.961 4.350 0.002 0.000 0.270 524 E C -1.370 175.233 176.600 0.005 0.000 0.895 524 E CA -0.686 55.724 56.400 0.017 0.000 0.767 524 E CB 3.195 32.903 29.700 0.013 0.000 1.248 524 E HN 0.289 nan 8.360 nan 0.000 0.440 525 V N 1.185 121.099 119.914 -0.000 0.000 2.495 525 V HA 0.539 4.660 4.120 0.002 0.000 0.298 525 V C -0.442 175.645 176.094 -0.011 0.000 1.031 525 V CA -0.888 61.408 62.300 -0.007 0.000 0.871 525 V CB 1.936 33.756 31.823 -0.005 0.000 0.988 525 V HN 0.442 nan 8.190 nan 0.000 0.432 526 V N 3.241 123.144 119.914 -0.017 0.000 2.808 526 V HA 0.568 4.689 4.120 0.002 0.000 0.308 526 V C -1.237 174.845 176.094 -0.020 0.000 1.099 526 V CA -0.463 61.826 62.300 -0.018 0.000 0.920 526 V CB 2.119 33.927 31.823 -0.024 0.000 1.014 526 V HN 0.939 nan 8.190 nan 0.000 0.425 527 D N 4.881 125.272 120.400 -0.014 0.000 2.295 527 D HA 0.267 4.908 4.640 0.002 0.000 0.248 527 D C 0.135 176.426 176.300 -0.015 0.000 1.154 527 D CA -0.106 53.886 54.000 -0.013 0.000 0.857 527 D CB 1.831 42.626 40.800 -0.007 0.000 1.117 527 D HN 0.479 nan 8.370 nan 0.000 0.468 528 L N 2.872 124.083 121.223 -0.020 0.000 2.769 528 L HA 0.167 4.509 4.340 0.002 0.000 0.240 528 L C 0.849 177.708 176.870 -0.020 0.000 1.163 528 L CA 0.095 54.921 54.840 -0.023 0.000 0.962 528 L CB -0.478 41.561 42.059 -0.033 0.000 1.258 528 L HN 0.201 nan 8.230 nan 0.000 0.513 529 S N 0.000 115.691 115.700 -0.015 0.000 2.498 529 S HA 0.000 4.471 4.470 0.002 0.000 0.327 529 S CA 0.000 58.193 58.200 -0.012 0.000 1.107 529 S CB 0.000 63.195 63.200 -0.009 0.000 0.593 529 S HN 0.000 nan 8.310 nan 0.000 0.517