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_A 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 0.000 174.596 174.600 -0.006 0.000 1.055 3 S CA 0.000 58.198 58.200 -0.004 0.000 1.107 3 S CB 0.000 63.197 63.200 -0.004 0.000 0.593 4 L N 4.130 125.350 121.223 -0.006 0.000 2.490 4 L HA 0.339 4.680 4.340 0.002 0.000 0.274 4 L C -1.906 174.955 176.870 -0.015 0.000 1.201 4 L CA -1.081 53.753 54.840 -0.009 0.000 0.869 4 L CB -0.619 41.436 42.059 -0.007 0.000 1.123 4 L HN 0.375 nan 8.230 nan 0.000 0.484 5 P HA 0.121 nan 4.420 nan 0.000 0.271 5 P C -0.695 176.583 177.300 -0.036 0.000 1.216 5 P CA -0.320 62.763 63.100 -0.027 0.000 0.776 5 P CB 0.592 32.274 31.700 -0.029 0.000 0.881 6 V N 4.139 124.028 119.914 -0.042 0.000 2.432 6 V HA 0.164 4.285 4.120 0.002 0.000 0.275 6 V C 0.238 176.283 176.094 -0.081 0.000 1.043 6 V CA -0.421 61.846 62.300 -0.055 0.000 0.925 6 V CB 1.513 33.308 31.823 -0.046 0.000 0.985 6 V HN 0.230 nan 8.190 nan 0.000 0.466 7 V N 6.731 126.577 119.914 -0.113 0.000 2.311 7 V HA 0.339 4.460 4.120 0.002 0.000 0.275 7 V C 0.005 175.962 176.094 -0.228 0.000 1.022 7 V CA -0.390 61.816 62.300 -0.157 0.000 0.830 7 V CB 1.466 33.187 31.823 -0.169 0.000 1.012 7 V HN 0.657 nan 8.190 nan 0.000 0.452 8 L N 6.250 127.354 121.223 -0.198 0.000 2.261 8 L HA 0.451 4.792 4.340 0.002 0.000 0.289 8 L C -0.368 176.331 176.870 -0.285 0.000 1.059 8 L CA -0.383 54.322 54.840 -0.224 0.000 0.816 8 L CB 0.823 42.803 42.059 -0.130 0.000 1.191 8 L HN 0.493 nan 8.230 nan 0.000 0.431 9 I N 4.635 124.914 120.570 -0.485 0.000 2.322 9 I HA 0.134 4.305 4.170 0.002 0.000 0.292 9 I C 1.038 177.033 176.117 -0.203 0.000 1.060 9 I CA 0.079 61.107 61.300 -0.453 0.000 1.309 9 I CB 1.017 38.460 38.000 -0.929 0.000 1.415 9 I HN 0.623 nan 8.210 nan 0.000 0.492 10 A N 4.715 127.482 122.820 -0.088 0.000 2.169 10 A HA 0.134 4.455 4.320 0.002 0.000 0.210 10 A C 0.697 178.302 177.584 0.034 0.000 1.168 10 A CA 0.401 52.430 52.037 -0.012 0.000 0.813 10 A CB 0.113 19.099 19.000 -0.024 0.000 0.861 10 A HN 0.623 nan 8.150 nan 0.000 0.481 11 D N -0.996 119.428 120.400 0.040 0.000 2.650 11 D HA 0.387 5.028 4.640 0.002 0.000 0.255 11 D C -0.671 175.700 176.300 0.119 0.000 1.135 11 D CA -0.466 53.571 54.000 0.061 0.000 1.099 11 D CB 0.731 41.548 40.800 0.029 0.000 1.273 11 D HN -0.158 nan 8.370 nan 0.000 0.628 12 K N 0.541 120.998 120.400 0.095 0.000 2.278 12 K HA 0.326 4.647 4.320 0.002 0.000 0.237 12 K C -0.814 175.860 176.600 0.123 0.000 1.229 12 K CA 0.086 56.439 56.287 0.111 0.000 1.155 12 K CB -0.437 32.098 32.500 0.058 0.000 1.590 12 K HN 0.082 nan 8.250 nan 0.000 0.290 13 L N 1.698 123.049 121.223 0.213 0.000 2.305 13 L HA 0.491 4.832 4.340 0.002 0.000 0.284 13 L C 0.089 177.159 176.870 0.333 0.000 1.013 13 L CA -0.834 54.132 54.840 0.209 0.000 0.819 13 L CB 1.801 43.956 42.059 0.160 0.000 1.227 13 L HN 0.334 nan 8.230 nan 0.000 0.417 14 A N 4.723 127.652 122.820 0.182 0.000 2.371 14 A HA 0.480 4.802 4.320 0.002 0.000 0.257 14 A C -1.685 176.038 177.584 0.232 0.000 1.089 14 A CA -1.120 50.989 52.037 0.120 0.000 0.794 14 A CB 0.128 19.146 19.000 0.029 0.000 1.029 14 A HN 0.628 nan 8.150 nan 0.000 0.488 15 P HA -0.223 nan 4.420 nan 0.000 0.216 15 P C 1.760 179.158 177.300 0.164 0.000 1.150 15 P CA 2.277 65.560 63.100 0.305 0.000 0.843 15 P CB 0.013 31.791 31.700 0.131 0.000 0.787 16 S N -2.079 113.673 115.700 0.086 0.000 2.383 16 S HA -0.141 4.330 4.470 0.002 0.000 0.227 16 S C 1.939 176.574 174.600 0.059 0.000 1.026 16 S CA 1.836 60.069 58.200 0.056 0.000 0.981 16 S CB -1.995 61.221 63.200 0.028 0.000 0.818 16 S HN 0.087 nan 8.310 nan 0.000 0.472 17 T N 1.104 115.701 114.554 0.071 0.000 2.849 17 T HA 0.045 4.397 4.350 0.002 0.000 0.270 17 T C 1.329 176.062 174.700 0.056 0.000 1.066 17 T CA 1.277 63.413 62.100 0.060 0.000 1.130 17 T CB -0.241 68.669 68.868 0.070 0.000 0.864 17 T HN 0.287 nan 8.240 nan 0.000 0.481 18 V N 0.545 120.506 119.914 0.078 0.000 3.276 18 V HA 0.442 4.563 4.120 0.002 0.000 0.319 18 V C 1.875 177.994 176.094 0.042 0.000 1.427 18 V CA 0.194 62.526 62.300 0.054 0.000 1.102 18 V CB -0.096 31.765 31.823 0.064 0.000 1.020 18 V HN 0.413 nan 8.190 nan 0.000 0.456 19 A N 0.278 123.126 122.820 0.048 0.000 2.178 19 A HA -0.010 4.311 4.320 0.002 0.000 0.218 19 A C 2.214 179.810 177.584 0.020 0.000 1.157 19 A CA 1.555 53.615 52.037 0.039 0.000 0.689 19 A CB -0.227 18.795 19.000 0.037 0.000 0.787 19 A HN 0.681 nan 8.150 nan 0.000 0.465 20 A N -0.387 122.440 122.820 0.012 0.000 2.121 20 A HA 0.238 4.559 4.320 0.002 0.000 0.218 20 A C 0.990 178.570 177.584 -0.006 0.000 1.154 20 A CA 0.159 52.197 52.037 0.002 0.000 0.679 20 A CB -0.469 18.529 19.000 -0.003 0.000 0.795 20 A HN 0.477 nan 8.150 nan 0.000 0.458 21 L N 0.205 121.422 121.223 -0.010 0.000 2.453 21 L HA 0.319 4.660 4.340 0.002 0.000 0.272 21 L C 1.508 178.373 176.870 -0.008 0.000 1.182 21 L CA -0.324 54.505 54.840 -0.019 0.000 0.858 21 L CB 0.080 42.119 42.059 -0.033 0.000 1.120 21 L HN 0.327 nan 8.230 nan 0.000 0.474 22 G N 1.367 110.162 108.800 -0.009 0.000 2.466 22 G HA2 -0.060 3.902 3.960 0.002 0.000 0.279 22 G HA3 -0.060 3.902 3.960 0.002 0.000 0.279 22 G C 0.477 175.379 174.900 0.004 0.000 1.410 22 G CA 0.113 45.212 45.100 -0.002 0.000 1.065 22 G HN 0.899 nan 8.290 nan 0.000 0.547 23 D N -1.344 119.060 120.400 0.006 0.000 2.388 23 D HA 0.037 4.678 4.640 0.002 0.000 0.221 23 D C 0.956 177.259 176.300 0.005 0.000 1.133 23 D CA -0.065 53.941 54.000 0.010 0.000 0.831 23 D CB 0.447 41.255 40.800 0.012 0.000 0.962 23 D HN 0.097 nan 8.370 nan 0.000 0.502 24 Q N 0.769 120.568 119.800 -0.000 0.000 2.280 24 Q HA 0.155 4.496 4.340 0.002 0.000 0.202 24 Q C 0.453 176.448 176.000 -0.008 0.000 0.903 24 Q CA -0.044 55.757 55.803 -0.003 0.000 0.948 24 Q CB 0.705 29.440 28.738 -0.005 0.000 1.058 24 Q HN 0.485 nan 8.270 nan 0.000 0.493 25 V N -3.728 116.181 119.914 -0.009 0.000 3.078 25 V HA 0.548 4.669 4.120 0.002 0.000 0.311 25 V C -0.637 175.449 176.094 -0.014 0.000 1.138 25 V CA -1.223 61.066 62.300 -0.019 0.000 1.007 25 V CB 2.609 34.412 31.823 -0.034 0.000 1.045 25 V HN -0.025 nan 8.190 nan 0.000 0.432 26 E N 1.638 121.825 120.200 -0.022 0.000 2.063 26 E HA 0.504 4.855 4.350 0.002 0.000 0.265 26 E C -1.141 175.432 176.600 -0.045 0.000 0.919 26 E CA -0.518 55.874 56.400 -0.014 0.000 0.756 26 E CB 1.646 31.342 29.700 -0.007 0.000 1.120 26 E HN 0.729 nan 8.360 nan 0.000 0.414 27 V N 5.368 125.252 119.914 -0.049 0.000 2.488 27 V HA 0.310 4.431 4.120 0.002 0.000 0.277 27 V C 0.453 176.475 176.094 -0.121 0.000 1.046 27 V CA -0.170 62.029 62.300 -0.169 0.000 0.986 27 V CB 0.663 32.361 31.823 -0.209 0.000 0.989 27 V HN 0.599 nan 8.190 nan 0.000 0.475 28 R N 3.427 123.798 120.500 -0.215 0.000 2.892 28 R HA 0.599 4.941 4.340 0.002 0.000 0.265 28 R C -1.289 174.894 176.300 -0.195 0.000 1.025 28 R CA -0.742 55.333 56.100 -0.041 0.000 0.982 28 R CB 2.254 32.552 30.300 -0.003 0.000 1.185 28 R HN 0.592 nan 8.270 nan 0.000 0.484 29 W N 0.777 122.072 121.300 -0.007 0.000 2.761 29 W HA 0.613 5.274 4.660 0.002 0.000 0.340 29 W C -0.897 175.617 176.519 -0.007 0.000 1.072 29 W CA -0.621 56.719 57.345 -0.008 0.000 1.215 29 W CB 2.288 31.744 29.460 -0.007 0.000 1.420 29 W HN 0.203 nan 8.180 nan 0.000 0.519 30 V N 2.474 122.495 119.914 0.179 0.000 3.087 30 V HA 0.204 4.325 4.120 0.002 0.000 0.306 30 V C -1.191 174.962 176.094 0.099 0.000 1.187 30 V CA -0.543 61.820 62.300 0.106 0.000 0.999 30 V CB 2.302 34.151 31.823 0.043 0.000 1.049 30 V HN 0.442 nan 8.190 nan 0.000 0.431 31 D N 3.266 123.708 120.400 0.070 0.000 2.470 31 D HA 0.352 4.993 4.640 0.002 0.000 0.226 31 D C 1.178 177.499 176.300 0.036 0.000 1.196 31 D CA 0.874 54.907 54.000 0.054 0.000 0.979 31 D CB 1.037 41.861 40.800 0.040 0.000 1.059 31 D HN 0.709 nan 8.370 nan 0.000 0.515 32 G N 4.079 112.899 108.800 0.034 0.000 2.446 32 G HA2 -0.208 3.753 3.960 0.002 0.000 0.217 32 G HA3 -0.208 3.753 3.960 0.002 0.000 0.217 32 G C -0.600 174.308 174.900 0.012 0.000 1.168 32 G CA 0.243 45.354 45.100 0.017 0.000 0.771 32 G HN 0.446 nan 8.290 nan 0.000 0.551 33 P HA -0.083 nan 4.420 nan 0.000 0.217 33 P C 0.663 177.969 177.300 0.010 0.000 1.148 33 P CA 1.030 64.136 63.100 0.010 0.000 0.834 33 P CB 0.078 31.785 31.700 0.012 0.000 0.783 34 D N -0.441 119.967 120.400 0.012 0.000 2.359 34 D HA -0.010 4.631 4.640 0.002 0.000 0.250 34 D C 1.190 177.495 176.300 0.009 0.000 1.264 34 D CA -0.092 53.914 54.000 0.011 0.000 0.911 34 D CB 0.342 41.150 40.800 0.014 0.000 1.056 34 D HN -0.216 nan 8.370 nan 0.000 0.499 35 R N 2.869 123.373 120.500 0.006 0.000 2.096 35 R HA -0.148 4.194 4.340 0.002 0.000 0.240 35 R C 1.144 177.447 176.300 0.004 0.000 1.139 35 R CA 1.158 57.261 56.100 0.004 0.000 0.952 35 R CB -0.395 29.907 30.300 0.003 0.000 0.854 35 R HN 0.559 nan 8.270 nan 0.000 0.436 36 D N 0.479 120.882 120.400 0.005 0.000 2.144 36 D HA -0.097 4.544 4.640 0.002 0.000 0.200 36 D C 1.823 178.127 176.300 0.006 0.000 0.978 36 D CA 0.879 54.882 54.000 0.005 0.000 0.833 36 D CB 0.048 40.851 40.800 0.005 0.000 0.961 36 D HN 0.175 nan 8.370 nan 0.000 0.470 37 K N 0.715 121.120 120.400 0.009 0.000 2.025 37 K HA -0.066 4.255 4.320 0.002 0.000 0.207 37 K C 2.318 178.924 176.600 0.010 0.000 1.049 37 K CA 0.185 56.479 56.287 0.012 0.000 0.933 37 K CB -0.607 31.904 32.500 0.018 0.000 0.714 37 K HN 0.209 nan 8.250 nan 0.000 0.438 38 L N 0.947 122.174 121.223 0.008 0.000 2.012 38 L HA -0.215 4.127 4.340 0.002 0.000 0.210 38 L C 2.168 179.037 176.870 -0.002 0.000 1.073 38 L CA 1.226 56.067 54.840 0.002 0.000 0.748 38 L CB -0.196 41.863 42.059 0.000 0.000 0.891 38 L HN 0.095 nan 8.230 nan 0.000 0.431 39 L N -0.098 121.125 121.223 -0.001 0.000 2.201 39 L HA -0.091 4.250 4.340 0.002 0.000 0.212 39 L C 2.722 179.591 176.870 -0.002 0.000 1.105 39 L CA 1.740 56.579 54.840 -0.003 0.000 0.775 39 L CB -1.388 40.670 42.059 -0.002 0.000 0.913 39 L HN 0.252 nan 8.230 nan 0.000 0.440 40 A N -1.079 121.741 122.820 0.001 0.000 1.968 40 A HA 0.062 4.383 4.320 0.002 0.000 0.217 40 A C 2.373 179.957 177.584 0.001 0.000 1.169 40 A CA 1.398 53.436 52.037 0.002 0.000 0.638 40 A CB -0.452 18.552 19.000 0.005 0.000 0.812 40 A HN 0.342 nan 8.150 nan 0.000 0.446 41 A N -1.315 121.505 122.820 -0.000 0.000 2.044 41 A HA 0.278 4.599 4.320 0.002 0.000 0.213 41 A C 2.027 179.603 177.584 -0.012 0.000 1.169 41 A CA 0.977 53.013 52.037 -0.003 0.000 0.724 41 A CB -0.525 18.476 19.000 0.002 0.000 0.840 41 A HN 0.414 nan 8.150 nan 0.000 0.463 42 V N 0.892 120.797 119.914 -0.014 0.000 2.626 42 V HA -0.071 4.051 4.120 0.002 0.000 0.252 42 V C -0.804 175.278 176.094 -0.021 0.000 1.067 42 V CA 1.969 64.256 62.300 -0.022 0.000 1.081 42 V CB -0.587 31.223 31.823 -0.021 0.000 0.686 42 V HN 0.353 nan 8.190 nan 0.000 0.468 43 P HA -0.173 nan 4.420 nan 0.000 0.217 43 P C 1.154 178.445 177.300 -0.015 0.000 1.148 43 P CA 1.514 64.606 63.100 -0.013 0.000 0.828 43 P CB -0.018 31.677 31.700 -0.009 0.000 0.783 44 E N -1.279 118.911 120.200 -0.017 0.000 2.474 44 E HA 0.249 4.601 4.350 0.002 0.000 0.195 44 E C 0.441 177.025 176.600 -0.027 0.000 1.039 44 E CA -0.372 56.017 56.400 -0.018 0.000 0.881 44 E CB 0.133 29.825 29.700 -0.014 0.000 0.970 44 E HN 0.129 nan 8.360 nan 0.000 0.486 45 A N 1.270 124.070 122.820 -0.032 0.000 2.409 45 A HA 0.083 4.404 4.320 0.002 0.000 0.262 45 A C -0.016 177.543 177.584 -0.042 0.000 1.113 45 A CA -0.189 51.821 52.037 -0.045 0.000 0.790 45 A CB 0.321 19.290 19.000 -0.052 0.000 1.046 45 A HN -0.022 nan 8.150 nan 0.000 0.496 46 D N 1.157 121.528 120.400 -0.048 0.000 2.216 46 D HA 0.333 4.974 4.640 0.002 0.000 0.208 46 D C 0.752 177.020 176.300 -0.054 0.000 0.960 46 D CA 1.676 55.649 54.000 -0.045 0.000 0.861 46 D CB 0.232 41.007 40.800 -0.043 0.000 0.985 46 D HN 0.718 nan 8.370 nan 0.000 0.493 47 A N 0.162 122.940 122.820 -0.069 0.000 2.435 47 A HA 0.684 5.006 4.320 0.002 0.000 0.304 47 A C -1.733 175.796 177.584 -0.091 0.000 1.064 47 A CA -0.559 51.431 52.037 -0.079 0.000 0.727 47 A CB 1.327 20.275 19.000 -0.086 0.000 1.284 47 A HN 0.112 nan 8.150 nan 0.000 0.415 48 L N 2.694 123.864 121.223 -0.087 0.000 2.404 48 L HA 0.677 5.019 4.340 0.002 0.000 0.272 48 L C -1.400 175.414 176.870 -0.094 0.000 0.980 48 L CA -0.185 54.599 54.840 -0.092 0.000 0.836 48 L CB 1.167 43.184 42.059 -0.069 0.000 1.238 48 L HN 0.636 nan 8.230 nan 0.000 0.408 49 L N 5.352 126.505 121.223 -0.117 0.000 2.334 49 L HA 0.891 5.233 4.340 0.002 0.000 0.272 49 L C -0.550 176.272 176.870 -0.080 0.000 1.020 49 L CA -1.118 53.662 54.840 -0.100 0.000 0.812 49 L CB 1.766 43.756 42.059 -0.114 0.000 1.264 49 L HN 0.465 nan 8.230 nan 0.000 0.439 50 V N 1.501 121.383 119.914 -0.054 0.000 3.204 50 V HA 0.405 4.527 4.120 0.002 0.000 0.298 50 V C -0.302 175.779 176.094 -0.022 0.000 1.328 50 V CA -0.282 61.998 62.300 -0.034 0.000 1.035 50 V CB 3.021 34.823 31.823 -0.034 0.000 1.095 50 V HN 0.852 nan 8.190 nan 0.000 0.442 51 R N 0.568 121.061 120.500 -0.012 0.000 1.850 51 R HA 0.373 4.714 4.340 0.002 0.000 0.152 51 R C 1.115 177.406 176.300 -0.015 0.000 2.001 51 R CA 1.145 57.239 56.100 -0.011 0.000 1.578 51 R CB 0.523 30.823 30.300 -0.001 0.000 1.261 51 R HN 0.814 nan 8.270 nan 0.000 0.478 52 S N -1.597 114.095 115.700 -0.013 0.000 2.560 52 S HA 0.250 4.721 4.470 0.002 0.000 0.281 52 S C 1.328 175.922 174.600 -0.010 0.000 1.075 52 S CA 0.045 58.235 58.200 -0.016 0.000 1.295 52 S CB 0.969 64.153 63.200 -0.027 0.000 1.156 52 S HN 0.301 nan 8.310 nan 0.000 0.627 53 A N 2.110 124.927 122.820 -0.005 0.000 1.930 53 A HA 0.246 4.567 4.320 0.002 0.000 0.217 53 A C 1.272 178.856 177.584 0.000 0.000 1.175 53 A CA 1.260 53.297 52.037 -0.000 0.000 0.627 53 A CB -0.814 18.189 19.000 0.006 0.000 0.815 53 A HN 0.448 nan 8.150 nan 0.000 0.443 54 T N 1.215 115.769 114.554 -0.001 0.000 2.889 54 T HA 0.448 4.799 4.350 0.002 0.000 0.291 54 T C 0.182 174.878 174.700 -0.006 0.000 0.995 54 T CA 0.354 62.453 62.100 -0.003 0.000 1.092 54 T CB 1.092 69.957 68.868 -0.005 0.000 0.954 54 T HN 0.465 nan 8.240 nan 0.000 0.506 55 T N -0.203 114.347 114.554 -0.006 0.000 2.771 55 T HA 0.508 4.860 4.350 0.002 0.000 0.281 55 T C -0.240 174.455 174.700 -0.009 0.000 0.982 55 T CA -0.783 61.313 62.100 -0.007 0.000 0.978 55 T CB 0.731 69.597 68.868 -0.003 0.000 0.930 55 T HN 0.235 nan 8.240 nan 0.000 0.447 56 V N 5.082 124.989 119.914 -0.012 0.000 2.184 56 V HA 0.270 4.392 4.120 0.002 0.000 0.262 56 V C 0.008 176.095 176.094 -0.012 0.000 1.209 56 V CA -0.830 61.461 62.300 -0.015 0.000 1.070 56 V CB -0.813 30.997 31.823 -0.021 0.000 1.244 56 V HN 1.024 nan 8.190 nan 0.000 0.477 57 D N 2.771 123.166 120.400 -0.009 0.000 2.466 57 D HA 0.502 5.143 4.640 0.002 0.000 0.262 57 D C 1.441 177.737 176.300 -0.007 0.000 1.177 57 D CA -0.122 53.874 54.000 -0.006 0.000 1.035 57 D CB 1.179 41.977 40.800 -0.004 0.000 1.105 57 D HN 0.193 nan 8.370 nan 0.000 0.551 58 A N -0.363 122.453 122.820 -0.005 0.000 1.903 58 A HA -0.316 4.005 4.320 0.002 0.000 0.219 58 A C 1.979 179.560 177.584 -0.005 0.000 1.191 58 A CA 2.339 54.373 52.037 -0.005 0.000 0.638 58 A CB -1.177 17.821 19.000 -0.003 0.000 0.823 58 A HN 0.799 nan 8.150 nan 0.000 0.451 59 E N -0.421 119.776 120.200 -0.005 0.000 2.070 59 E HA -0.173 4.178 4.350 0.002 0.000 0.197 59 E C 1.934 178.530 176.600 -0.006 0.000 1.004 59 E CA 1.696 58.093 56.400 -0.004 0.000 0.805 59 E CB -0.177 29.521 29.700 -0.003 0.000 0.744 59 E HN 0.353 nan 8.360 nan 0.000 0.451 60 V N 1.081 120.990 119.914 -0.008 0.000 2.295 60 V HA -0.268 3.854 4.120 0.002 0.000 0.246 60 V C 2.468 178.555 176.094 -0.012 0.000 1.049 60 V CA 1.568 63.862 62.300 -0.010 0.000 1.024 60 V CB -0.412 31.404 31.823 -0.012 0.000 0.648 60 V HN 0.312 nan 8.190 nan 0.000 0.447 61 L N 0.170 121.386 121.223 -0.012 0.000 2.046 61 L HA -0.149 4.192 4.340 0.002 0.000 0.208 61 L C 2.626 179.490 176.870 -0.011 0.000 1.077 61 L CA 1.679 56.511 54.840 -0.013 0.000 0.747 61 L CB -0.736 41.315 42.059 -0.012 0.000 0.896 61 L HN 0.342 nan 8.230 nan 0.000 0.432 62 A N -0.409 122.406 122.820 -0.008 0.000 2.121 62 A HA -0.019 4.302 4.320 0.002 0.000 0.218 62 A C 2.269 179.849 177.584 -0.007 0.000 1.154 62 A CA 1.464 53.497 52.037 -0.007 0.000 0.679 62 A CB -0.505 18.492 19.000 -0.005 0.000 0.795 62 A HN 0.397 nan 8.150 nan 0.000 0.458 63 A N -1.290 121.525 122.820 -0.008 0.000 2.275 63 A HA 0.601 4.923 4.320 0.002 0.000 0.212 63 A C 1.185 178.762 177.584 -0.010 0.000 1.201 63 A CA 0.724 52.756 52.037 -0.008 0.000 0.843 63 A CB -0.226 18.769 19.000 -0.007 0.000 0.873 63 A HN 0.973 nan 8.150 nan 0.000 0.492 64 A N 0.658 123.471 122.820 -0.013 0.000 2.923 64 A HA 0.612 4.933 4.320 0.002 0.000 0.343 64 A C -1.693 175.882 177.584 -0.015 0.000 1.199 64 A CA -1.160 50.867 52.037 -0.016 0.000 0.878 64 A CB 0.244 19.232 19.000 -0.021 0.000 1.104 64 A HN 0.142 nan 8.150 nan 0.000 0.483 65 P HA -0.120 nan 4.420 nan 0.000 0.221 65 P C 0.867 178.159 177.300 -0.012 0.000 1.150 65 P CA 1.234 64.328 63.100 -0.011 0.000 0.800 65 P CB 0.157 31.852 31.700 -0.008 0.000 0.787 66 K N -1.337 119.054 120.400 -0.015 0.000 2.537 66 K HA 0.202 4.523 4.320 0.002 0.000 0.206 66 K C 0.125 176.711 176.600 -0.022 0.000 1.041 66 K CA -0.359 55.918 56.287 -0.017 0.000 1.090 66 K CB 0.057 32.548 32.500 -0.015 0.000 0.833 66 K HN 0.042 nan 8.250 nan 0.000 0.493 67 L N 2.359 123.567 121.223 -0.024 0.000 2.462 67 L HA 0.058 4.399 4.340 0.002 0.000 0.272 67 L C 0.259 177.110 176.870 -0.031 0.000 1.166 67 L CA 0.588 55.409 54.840 -0.031 0.000 0.880 67 L CB 0.860 42.901 42.059 -0.030 0.000 1.142 67 L HN 0.349 nan 8.230 nan 0.000 0.473 68 K N 4.091 124.468 120.400 -0.038 0.000 2.387 68 K HA 0.311 4.633 4.320 0.002 0.000 0.197 68 K C -0.589 175.982 176.600 -0.048 0.000 1.127 68 K CA 0.309 56.573 56.287 -0.038 0.000 0.950 68 K CB 0.602 33.081 32.500 -0.035 0.000 1.017 68 K HN 0.439 nan 8.250 nan 0.000 0.519 69 I N 0.420 120.956 120.570 -0.057 0.000 2.582 69 I HA 0.257 4.428 4.170 0.002 0.000 0.292 69 I C -1.033 175.045 176.117 -0.066 0.000 1.066 69 I CA -1.056 60.203 61.300 -0.068 0.000 1.053 69 I CB 2.318 40.271 38.000 -0.079 0.000 1.241 69 I HN -0.365 nan 8.210 nan 0.000 0.421 70 V N 4.636 124.512 119.914 -0.064 0.000 2.384 70 V HA 0.807 4.929 4.120 0.002 0.000 0.287 70 V C 0.062 176.116 176.094 -0.067 0.000 1.020 70 V CA -0.452 61.812 62.300 -0.061 0.000 0.850 70 V CB 1.424 33.218 31.823 -0.049 0.000 0.987 70 V HN 0.873 nan 8.190 nan 0.000 0.436 71 A N 5.817 128.595 122.820 -0.069 0.000 2.318 71 A HA 0.730 5.052 4.320 0.002 0.000 0.317 71 A C -0.168 177.382 177.584 -0.057 0.000 1.159 71 A CA -0.709 51.286 52.037 -0.069 0.000 0.799 71 A CB 0.957 19.911 19.000 -0.077 0.000 1.194 71 A HN 0.645 nan 8.150 nan 0.000 0.479 72 R N 2.918 123.388 120.500 -0.050 0.000 2.215 72 R HA 0.432 4.773 4.340 0.002 0.000 0.337 72 R C -0.074 176.206 176.300 -0.034 0.000 1.010 72 R CA -0.133 55.944 56.100 -0.038 0.000 0.871 72 R CB 0.945 31.225 30.300 -0.032 0.000 1.134 72 R HN 0.825 nan 8.270 nan 0.000 0.477 73 A N 3.385 126.187 122.820 -0.029 0.000 2.770 73 A HA 0.436 4.757 4.320 0.002 0.000 0.292 73 A C 0.519 178.093 177.584 -0.017 0.000 1.604 73 A CA 0.739 52.763 52.037 -0.021 0.000 1.271 73 A CB -0.375 18.618 19.000 -0.012 0.000 1.075 73 A HN 0.921 nan 8.150 nan 0.000 0.573 74 G N -0.534 108.255 108.800 -0.018 0.000 2.360 74 G HA2 0.334 4.295 3.960 0.002 0.000 0.276 74 G HA3 0.334 4.295 3.960 0.002 0.000 0.276 74 G C -0.050 174.842 174.900 -0.013 0.000 1.256 74 G CA 0.120 45.211 45.100 -0.015 0.000 0.890 74 G HN 0.654 nan 8.290 nan 0.000 0.486 75 V N 0.480 120.389 119.914 -0.009 0.000 3.250 75 V HA 0.430 4.551 4.120 0.002 0.000 0.240 75 V C 1.816 177.911 176.094 0.001 0.000 1.275 75 V CA 1.064 63.363 62.300 -0.002 0.000 1.206 75 V CB 0.104 31.932 31.823 0.008 0.000 0.976 75 V HN 1.197 nan 8.190 nan 0.000 0.467 76 G N 0.007 108.807 108.800 0.000 0.000 2.554 76 G HA2 0.371 4.332 3.960 0.002 0.000 0.238 76 G HA3 0.371 4.332 3.960 0.002 0.000 0.238 76 G C 0.063 174.961 174.900 -0.003 0.000 1.259 76 G CA -0.025 45.077 45.100 0.003 0.000 0.843 76 G HN 0.305 nan 8.290 nan 0.000 0.582 77 L N 0.581 121.805 121.223 0.001 0.000 3.069 77 L HA 0.187 4.528 4.340 0.002 0.000 0.271 77 L C 1.461 178.331 176.870 -0.001 0.000 1.201 77 L CA -0.040 54.798 54.840 -0.003 0.000 1.015 77 L CB 0.500 42.558 42.059 -0.002 0.000 1.371 77 L HN 0.509 nan 8.230 nan 0.000 0.574 78 D N 1.364 121.766 120.400 0.002 0.000 2.172 78 D HA -0.203 4.439 4.640 0.002 0.000 0.196 78 D C 1.586 177.887 176.300 0.001 0.000 0.999 78 D CA 1.482 55.485 54.000 0.005 0.000 0.856 78 D CB 0.103 40.908 40.800 0.009 0.000 0.934 78 D HN 0.397 nan 8.370 nan 0.000 0.453 79 N N 0.023 118.720 118.700 -0.004 0.000 2.268 79 N HA -0.018 4.723 4.740 0.002 0.000 0.204 79 N C -0.807 174.698 175.510 -0.009 0.000 1.124 79 N CA 0.082 53.128 53.050 -0.006 0.000 0.838 79 N CB 0.469 38.951 38.487 -0.008 0.000 0.994 79 N HN -0.032 nan 8.380 nan 0.000 0.489 80 V N 0.685 120.593 119.914 -0.009 0.000 2.525 80 V HA 0.163 4.285 4.120 0.002 0.000 0.299 80 V C -0.698 175.392 176.094 -0.008 0.000 1.034 80 V CA -1.078 61.215 62.300 -0.011 0.000 0.863 80 V CB 1.807 33.620 31.823 -0.017 0.000 0.999 80 V HN -0.013 nan 8.190 nan 0.000 0.423 81 D N 3.681 124.077 120.400 -0.007 0.000 2.416 81 D HA 0.158 4.799 4.640 0.002 0.000 0.240 81 D C 0.928 177.225 176.300 -0.006 0.000 1.250 81 D CA 0.188 54.185 54.000 -0.004 0.000 0.967 81 D CB 1.362 42.160 40.800 -0.004 0.000 1.059 81 D HN 0.276 nan 8.370 nan 0.000 0.512 82 V N 3.219 123.131 119.914 -0.004 0.000 2.548 82 V HA -0.160 3.961 4.120 0.002 0.000 0.249 82 V C 1.778 177.872 176.094 0.000 0.000 1.055 82 V CA 1.129 63.426 62.300 -0.004 0.000 1.065 82 V CB -0.250 31.573 31.823 -0.000 0.000 0.681 82 V HN 0.422 nan 8.190 nan 0.000 0.462 83 D N 0.911 121.312 120.400 0.003 0.000 2.097 83 D HA -0.126 4.516 4.640 0.002 0.000 0.195 83 D C 2.274 178.575 176.300 0.002 0.000 0.989 83 D CA 1.762 55.765 54.000 0.004 0.000 0.827 83 D CB -0.349 40.453 40.800 0.004 0.000 0.966 83 D HN 0.405 nan 8.370 nan 0.000 0.456 84 A N 0.774 123.594 122.820 -0.001 0.000 1.933 84 A HA -0.063 4.258 4.320 0.002 0.000 0.218 84 A C 2.271 179.852 177.584 -0.005 0.000 1.175 84 A CA 2.292 54.328 52.037 -0.003 0.000 0.628 84 A CB -0.697 18.300 19.000 -0.004 0.000 0.814 84 A HN 0.243 nan 8.150 nan 0.000 0.444 85 A N -1.182 121.634 122.820 -0.007 0.000 1.898 85 A HA -0.049 4.272 4.320 0.002 0.000 0.216 85 A C 2.298 179.877 177.584 -0.007 0.000 1.181 85 A CA 2.186 54.216 52.037 -0.011 0.000 0.620 85 A CB -1.229 17.760 19.000 -0.018 0.000 0.819 85 A HN 0.411 nan 8.150 nan 0.000 0.442 86 T N 0.453 115.006 114.554 -0.002 0.000 2.684 86 T HA -0.095 4.257 4.350 0.002 0.000 0.267 86 T C 2.217 176.920 174.700 0.006 0.000 1.036 86 T CA 1.743 63.846 62.100 0.005 0.000 1.148 86 T CB -0.508 68.367 68.868 0.012 0.000 0.863 86 T HN 0.612 nan 8.240 nan 0.000 0.436 87 A N 1.693 124.515 122.820 0.004 0.000 1.986 87 A HA -0.138 4.183 4.320 0.002 0.000 0.220 87 A C 2.208 179.794 177.584 0.003 0.000 1.171 87 A CA 1.286 53.326 52.037 0.004 0.000 0.640 87 A CB -0.340 18.661 19.000 0.002 0.000 0.811 87 A HN 0.394 nan 8.150 nan 0.000 0.451 88 R N -1.589 118.911 120.500 -0.001 0.000 2.359 88 R HA 0.218 4.560 4.340 0.002 0.000 0.231 88 R C 1.078 177.376 176.300 -0.003 0.000 0.913 88 R CA 0.606 56.704 56.100 -0.002 0.000 1.075 88 R CB -0.007 30.290 30.300 -0.006 0.000 1.087 88 R HN 0.746 nan 8.270 nan 0.000 0.515 89 G N 1.236 110.035 108.800 -0.001 0.000 2.136 89 G HA2 -0.243 3.718 3.960 0.002 0.000 0.242 89 G HA3 -0.243 3.718 3.960 0.002 0.000 0.242 89 G C 0.067 174.962 174.900 -0.010 0.000 0.989 89 G CA 0.032 45.132 45.100 -0.001 0.000 0.682 89 G HN 0.147 nan 8.290 nan 0.000 0.522 90 V N 1.242 121.147 119.914 -0.015 0.000 2.364 90 V HA 0.517 4.638 4.120 0.002 0.000 0.272 90 V C 0.943 177.016 176.094 -0.034 0.000 1.036 90 V CA -0.740 61.544 62.300 -0.025 0.000 0.880 90 V CB 1.519 33.326 31.823 -0.026 0.000 0.991 90 V HN 0.402 nan 8.190 nan 0.000 0.460 91 L N 6.755 127.950 121.223 -0.048 0.000 2.477 91 L HA 0.213 4.555 4.340 0.002 0.000 0.272 91 L C -0.066 176.758 176.870 -0.078 0.000 1.157 91 L CA 0.840 55.636 54.840 -0.073 0.000 0.889 91 L CB 0.805 42.808 42.059 -0.094 0.000 1.158 91 L HN 0.463 nan 8.230 nan 0.000 0.473 92 V N 5.934 125.800 119.914 -0.080 0.000 2.472 92 V HA 0.566 4.688 4.120 0.002 0.000 0.290 92 V C -0.209 175.820 176.094 -0.108 0.000 1.037 92 V CA -0.550 61.704 62.300 -0.077 0.000 0.908 92 V CB 1.821 33.614 31.823 -0.051 0.000 0.985 92 V HN 0.523 nan 8.190 nan 0.000 0.454 93 V N 4.719 124.571 119.914 -0.102 0.000 2.925 93 V HA 0.690 4.812 4.120 0.002 0.000 0.311 93 V C -0.777 175.267 176.094 -0.084 0.000 1.104 93 V CA -0.459 61.770 62.300 -0.120 0.000 0.954 93 V CB 2.392 34.131 31.823 -0.140 0.000 1.022 93 V HN 1.124 nan 8.190 nan 0.000 0.427 94 N N 3.581 122.236 118.700 -0.075 0.000 3.455 94 N HA 0.760 5.501 4.740 0.002 0.000 0.358 94 N C -0.803 174.677 175.510 -0.049 0.000 1.580 94 N CA -0.115 52.904 53.050 -0.052 0.000 0.692 94 N CB 1.857 40.324 38.487 -0.034 0.000 1.978 94 N HN 0.784 nan 8.380 nan 0.000 0.651 95 A N 0.038 122.839 122.820 -0.032 0.000 2.893 95 A HA 0.473 4.794 4.320 0.002 0.000 0.333 95 A C -2.062 175.512 177.584 -0.016 0.000 1.152 95 A CA -1.105 50.917 52.037 -0.025 0.000 0.782 95 A CB 0.741 19.729 19.000 -0.019 0.000 1.108 95 A HN 0.615 nan 8.150 nan 0.000 0.469 96 P HA -0.058 nan 4.420 nan 0.000 0.224 96 P C 0.998 178.289 177.300 -0.015 0.000 1.157 96 P CA 1.517 64.610 63.100 -0.011 0.000 0.799 96 P CB 0.091 31.787 31.700 -0.007 0.000 0.809 97 T N -3.881 110.663 114.554 -0.016 0.000 3.176 97 T HA 0.144 4.495 4.350 0.002 0.000 0.263 97 T C 1.499 176.191 174.700 -0.013 0.000 1.021 97 T CA 0.323 62.406 62.100 -0.027 0.000 0.905 97 T CB -0.759 68.091 68.868 -0.028 0.000 1.057 97 T HN 0.090 nan 8.240 nan 0.000 0.558 98 S N 2.334 118.034 115.700 -0.000 0.000 2.489 98 S HA -0.089 4.382 4.470 0.002 0.000 0.228 98 S C 1.716 176.333 174.600 0.028 0.000 0.995 98 S CA 0.686 58.897 58.200 0.018 0.000 0.934 98 S CB -0.515 62.692 63.200 0.011 0.000 0.771 98 S HN 0.656 nan 8.310 nan 0.000 0.522 99 N N 2.024 120.730 118.700 0.011 0.000 2.205 99 N HA 0.097 4.839 4.740 0.002 0.000 0.201 99 N C 1.489 177.003 175.510 0.006 0.000 1.128 99 N CA 0.445 53.507 53.050 0.021 0.000 0.867 99 N CB -0.783 37.717 38.487 0.022 0.000 0.996 99 N HN 0.695 nan 8.380 nan 0.000 0.503 100 I N -1.263 119.272 120.570 -0.060 0.000 2.264 100 I HA -0.214 3.957 4.170 0.002 0.000 0.248 100 I C 1.571 177.591 176.117 -0.162 0.000 1.111 100 I CA 1.342 62.554 61.300 -0.147 0.000 1.382 100 I CB -0.607 37.242 38.000 -0.251 0.000 1.060 100 I HN -0.055 nan 8.210 nan 0.000 0.418 101 H N 1.091 120.168 119.070 0.011 0.000 2.333 101 H HA -0.025 4.532 4.556 0.002 0.000 0.302 101 H C 2.615 177.962 175.328 0.031 0.000 1.075 101 H CA 1.761 57.818 56.048 0.016 0.000 1.348 101 H CB -0.143 29.627 29.762 0.013 0.000 1.393 101 H HN 0.276 nan 8.280 nan 0.000 0.509 102 S N 0.021 115.815 115.700 0.155 0.000 2.399 102 S HA -0.158 4.313 4.470 0.002 0.000 0.231 102 S C 2.285 176.953 174.600 0.112 0.000 1.022 102 S CA 0.820 59.086 58.200 0.110 0.000 0.983 102 S CB -0.206 63.038 63.200 0.073 0.000 0.803 102 S HN 0.555 nan 8.310 nan 0.000 0.480 103 A N 1.281 124.157 122.820 0.093 0.000 1.903 103 A HA 0.373 4.694 4.320 0.002 0.000 0.213 103 A C 2.339 179.997 177.584 0.123 0.000 1.185 103 A CA 1.225 53.329 52.037 0.112 0.000 0.628 103 A CB -1.038 18.010 19.000 0.080 0.000 0.830 103 A HN 0.470 nan 8.150 nan 0.000 0.446 104 A N 0.266 123.124 122.820 0.063 0.000 1.892 104 A HA -0.248 4.074 4.320 0.002 0.000 0.218 104 A C 1.892 179.522 177.584 0.077 0.000 1.188 104 A CA 1.934 53.993 52.037 0.037 0.000 0.631 104 A CB -0.648 18.351 19.000 -0.003 0.000 0.822 104 A HN 0.625 nan 8.150 nan 0.000 0.447 105 E N -1.887 118.375 120.200 0.104 0.000 2.153 105 E HA -0.213 4.138 4.350 0.002 0.000 0.194 105 E C 1.938 178.602 176.600 0.106 0.000 0.988 105 E CA 1.248 57.708 56.400 0.100 0.000 0.811 105 E CB -0.209 29.556 29.700 0.109 0.000 0.746 105 E HN 0.844 nan 8.360 nan 0.000 0.466 106 H N -0.004 119.092 119.070 0.044 0.000 2.462 106 H HA 0.075 4.632 4.556 0.002 0.000 0.292 106 H C 1.774 177.121 175.328 0.031 0.000 1.049 106 H CA 1.266 57.337 56.048 0.037 0.000 1.334 106 H CB 0.064 29.852 29.762 0.044 0.000 1.404 106 H HN 0.164 nan 8.280 nan 0.000 0.544 107 A N 0.583 123.435 122.820 0.053 0.000 1.873 107 A HA -0.086 4.236 4.320 0.002 0.000 0.215 107 A C 2.250 179.799 177.584 -0.059 0.000 1.186 107 A CA 1.165 53.214 52.037 0.019 0.000 0.616 107 A CB -0.653 18.449 19.000 0.170 0.000 0.823 107 A HN 0.384 nan 8.150 nan 0.000 0.442 108 L N -0.410 120.786 121.223 -0.046 0.000 2.012 108 L HA -0.209 4.132 4.340 0.002 0.000 0.210 108 L C 3.080 179.873 176.870 -0.127 0.000 1.073 108 L CA 2.113 56.892 54.840 -0.101 0.000 0.748 108 L CB -1.694 40.330 42.059 -0.058 0.000 0.891 108 L HN 0.472 nan 8.230 nan 0.000 0.431 109 A N -0.501 122.249 122.820 -0.116 0.000 1.927 109 A HA -0.246 4.076 4.320 0.002 0.000 0.220 109 A C 2.221 179.696 177.584 -0.181 0.000 1.185 109 A CA 1.777 53.730 52.037 -0.139 0.000 0.639 109 A CB -0.615 18.293 19.000 -0.153 0.000 0.820 109 A HN 0.333 nan 8.150 nan 0.000 0.451 110 L N -1.110 119.964 121.223 -0.248 0.000 2.095 110 L HA 0.027 4.369 4.340 0.002 0.000 0.204 110 L C 2.405 179.211 176.870 -0.107 0.000 1.080 110 L CA 1.491 56.214 54.840 -0.195 0.000 0.759 110 L CB -0.968 40.956 42.059 -0.226 0.000 0.914 110 L HN 0.498 nan 8.230 nan 0.000 0.439 111 L N -1.128 120.031 121.223 -0.106 0.000 1.990 111 L HA -0.294 4.047 4.340 0.002 0.000 0.213 111 L C 2.423 179.243 176.870 -0.082 0.000 1.072 111 L CA 1.648 56.441 54.840 -0.079 0.000 0.755 111 L CB -0.178 41.788 42.059 -0.155 0.000 0.889 111 L HN 0.211 nan 8.230 nan 0.000 0.432 112 L N -0.818 120.324 121.223 -0.134 0.000 2.056 112 L HA -0.173 4.168 4.340 0.002 0.000 0.207 112 L C 2.793 179.629 176.870 -0.056 0.000 1.078 112 L CA 1.114 55.891 54.840 -0.105 0.000 0.749 112 L CB -0.793 41.199 42.059 -0.112 0.000 0.901 112 L HN 0.340 nan 8.230 nan 0.000 0.433 113 A N -0.030 122.753 122.820 -0.062 0.000 1.940 113 A HA -0.199 4.122 4.320 0.002 0.000 0.219 113 A C 2.470 180.039 177.584 -0.026 0.000 1.176 113 A CA 1.937 53.945 52.037 -0.049 0.000 0.631 113 A CB -0.642 18.324 19.000 -0.057 0.000 0.814 113 A HN 0.428 nan 8.150 nan 0.000 0.446 114 A N -0.331 122.482 122.820 -0.012 0.000 1.898 114 A HA 0.041 4.362 4.320 0.002 0.000 0.214 114 A C 2.375 179.982 177.584 0.037 0.000 1.183 114 A CA 1.718 53.765 52.037 0.016 0.000 0.622 114 A CB -0.737 18.277 19.000 0.023 0.000 0.824 114 A HN 0.589 nan 8.150 nan 0.000 0.444 115 S N -0.074 115.663 115.700 0.060 0.000 2.423 115 S HA -0.046 4.425 4.470 0.002 0.000 0.231 115 S C 1.507 176.141 174.600 0.056 0.000 1.014 115 S CA 0.803 59.059 58.200 0.095 0.000 0.965 115 S CB -0.100 63.213 63.200 0.188 0.000 0.785 115 S HN 0.447 nan 8.310 nan 0.000 0.495 116 R N 0.762 121.273 120.500 0.018 0.000 2.468 116 R HA 0.285 4.626 4.340 0.002 0.000 0.280 116 R C -0.079 176.188 176.300 -0.055 0.000 0.963 116 R CA -0.090 56.003 56.100 -0.013 0.000 1.083 116 R CB -0.755 29.527 30.300 -0.030 0.000 1.200 116 R HN 0.517 nan 8.270 nan 0.000 0.541 117 Q N 0.515 120.303 119.800 -0.020 0.000 2.457 117 Q HA -0.190 4.151 4.340 0.002 0.000 0.283 117 Q C 0.827 176.753 176.000 -0.124 0.000 1.234 117 Q CA 0.411 56.205 55.803 -0.016 0.000 0.877 117 Q CB -1.125 27.671 28.738 0.096 0.000 1.250 117 Q HN 0.176 nan 8.270 nan 0.000 0.481 118 I N 0.355 120.856 120.570 -0.115 0.000 2.091 118 I HA -0.191 3.980 4.170 0.002 0.000 0.239 118 I C -0.363 175.680 176.117 -0.123 0.000 1.061 118 I CA 1.863 63.078 61.300 -0.142 0.000 1.317 118 I CB -2.523 35.423 38.000 -0.090 0.000 1.031 118 I HN 0.236 nan 8.210 nan 0.000 0.401 119 P HA -0.141 nan 4.420 nan 0.000 0.215 119 P C 1.670 178.950 177.300 -0.033 0.000 1.153 119 P CA 2.303 65.378 63.100 -0.041 0.000 0.853 119 P CB -0.088 31.601 31.700 -0.017 0.000 0.788 120 A N 0.208 123.028 122.820 -0.001 0.000 1.902 120 A HA -0.059 4.262 4.320 0.002 0.000 0.217 120 A C 2.446 180.063 177.584 0.054 0.000 1.181 120 A CA 2.209 54.296 52.037 0.083 0.000 0.623 120 A CB -1.552 17.576 19.000 0.213 0.000 0.818 120 A HN 0.211 nan 8.150 nan 0.000 0.443 121 A N -0.064 122.600 122.820 -0.261 0.000 1.865 121 A HA -0.258 4.063 4.320 0.002 0.000 0.217 121 A C 1.991 179.442 177.584 -0.223 0.000 1.191 121 A CA 1.987 53.681 52.037 -0.572 0.000 0.623 121 A CB -0.738 17.697 19.000 -0.942 0.000 0.826 121 A HN 0.581 nan 8.150 nan 0.000 0.444 122 D N 0.038 120.338 120.400 -0.166 0.000 2.149 122 D HA -0.123 4.518 4.640 0.002 0.000 0.198 122 D C 2.089 178.356 176.300 -0.055 0.000 0.990 122 D CA 1.488 55.431 54.000 -0.095 0.000 0.839 122 D CB -0.128 40.627 40.800 -0.074 0.000 0.948 122 D HN 0.341 nan 8.370 nan 0.000 0.460 123 A N 0.649 123.448 122.820 -0.034 0.000 1.933 123 A HA -0.173 4.149 4.320 0.002 0.000 0.218 123 A C 2.434 180.016 177.584 -0.003 0.000 1.175 123 A CA 2.450 54.478 52.037 -0.015 0.000 0.628 123 A CB -0.753 18.252 19.000 0.007 0.000 0.814 123 A HN 0.433 nan 8.150 nan 0.000 0.444 124 S N 0.193 115.918 115.700 0.042 0.000 2.382 124 S HA -0.092 4.379 4.470 0.002 0.000 0.228 124 S C 1.829 176.452 174.600 0.038 0.000 1.027 124 S CA 1.479 59.722 58.200 0.072 0.000 0.991 124 S CB -0.734 62.577 63.200 0.186 0.000 0.823 124 S HN 0.456 nan 8.310 nan 0.000 0.469 125 L N 0.016 121.247 121.223 0.015 0.000 2.217 125 L HA 0.111 4.452 4.340 0.002 0.000 0.211 125 L C 3.027 179.866 176.870 -0.051 0.000 1.107 125 L CA 0.745 55.606 54.840 0.035 0.000 0.783 125 L CB -0.400 41.687 42.059 0.045 0.000 0.919 125 L HN 0.206 nan 8.230 nan 0.000 0.442 126 R N 0.670 121.110 120.500 -0.100 0.000 2.115 126 R HA -0.126 4.216 4.340 0.002 0.000 0.230 126 R C 1.838 177.886 176.300 -0.421 0.000 1.111 126 R CA 1.125 57.109 56.100 -0.194 0.000 0.976 126 R CB -0.286 29.949 30.300 -0.108 0.000 0.870 126 R HN 0.334 nan 8.270 nan 0.000 0.445 127 E N -1.103 118.937 120.200 -0.266 0.000 2.502 127 E HA -0.012 4.340 4.350 0.002 0.000 0.194 127 E C -0.747 175.765 176.600 -0.148 0.000 1.062 127 E CA 0.139 56.408 56.400 -0.218 0.000 0.867 127 E CB 0.019 29.692 29.700 -0.045 0.000 0.888 127 E HN 0.473 nan 8.360 nan 0.000 0.510 128 H N -1.214 117.900 119.070 0.074 0.000 2.931 128 H HA -0.136 4.421 4.556 0.002 0.000 0.290 128 H C -0.798 174.594 175.328 0.107 0.000 1.264 128 H CA 0.604 56.703 56.048 0.084 0.000 1.140 128 H CB -2.128 27.670 29.762 0.060 0.000 1.343 128 H HN 0.111 nan 8.280 nan 0.000 0.403 129 T N -2.924 111.747 114.554 0.195 0.000 2.865 129 T HA 0.318 4.670 4.350 0.002 0.000 0.294 129 T C -0.861 174.015 174.700 0.292 0.000 1.119 129 T CA -0.952 61.279 62.100 0.217 0.000 1.007 129 T CB 2.285 71.245 68.868 0.153 0.000 1.225 129 T HN 0.363 nan 8.240 nan 0.000 0.515 130 W N 1.887 123.231 121.300 0.074 0.000 2.406 130 W HA 0.456 5.117 4.660 0.001 0.000 0.308 130 W C -0.678 175.897 176.519 0.093 0.000 0.965 130 W CA -0.763 56.632 57.345 0.083 0.000 1.589 130 W CB 0.798 30.296 29.460 0.063 0.000 1.417 130 W HN 0.669 nan 8.180 nan 0.000 0.415 131 K N 2.892 123.272 120.400 -0.033 0.000 2.675 131 K HA 0.055 4.376 4.320 0.002 0.000 0.213 131 K C 1.860 178.411 176.600 -0.081 0.000 1.074 131 K CA -0.151 56.109 56.287 -0.045 0.000 1.172 131 K CB 0.021 32.487 32.500 -0.056 0.000 0.927 131 K HN 0.365 nan 8.250 nan 0.000 0.471 132 R N 0.643 120.940 120.500 -0.338 0.000 2.159 132 R HA -0.284 4.057 4.340 0.002 0.000 0.249 132 R C 1.808 178.097 176.300 -0.017 0.000 1.136 132 R CA 2.666 58.622 56.100 -0.240 0.000 0.951 132 R CB -0.494 29.524 30.300 -0.470 0.000 0.876 132 R HN 0.367 nan 8.270 nan 0.000 0.440 133 S N -0.613 115.071 115.700 -0.025 0.000 2.420 133 S HA -0.139 4.332 4.470 0.002 0.000 0.237 133 S C 1.842 176.400 174.600 -0.070 0.000 1.023 133 S CA 1.738 59.931 58.200 -0.011 0.000 0.991 133 S CB -0.220 62.985 63.200 0.009 0.000 0.792 133 S HN 0.464 nan 8.310 nan 0.000 0.488 134 S N 0.668 116.254 115.700 -0.190 0.000 2.470 134 S HA 0.314 4.785 4.470 0.002 0.000 0.225 134 S C 0.293 174.650 174.600 -0.405 0.000 1.006 134 S CA 0.027 58.016 58.200 -0.352 0.000 0.934 134 S CB -0.306 62.567 63.200 -0.544 0.000 0.778 134 S HN 0.552 nan 8.310 nan 0.000 0.517 135 F N 1.515 121.426 119.950 -0.066 0.000 2.370 135 F HA 0.545 5.073 4.527 0.002 0.000 0.324 135 F C 0.794 176.570 175.800 -0.041 0.000 1.116 135 F CA -0.425 57.540 58.000 -0.058 0.000 1.123 135 F CB 1.015 39.966 39.000 -0.082 0.000 1.238 135 F HN -0.155 nan 8.300 nan 0.000 0.536 136 S N 0.626 116.435 115.700 0.181 0.000 2.536 136 S HA 0.467 4.938 4.470 0.002 0.000 0.246 136 S C -0.190 174.460 174.600 0.082 0.000 1.077 136 S CA -0.663 57.594 58.200 0.095 0.000 1.091 136 S CB 0.186 63.416 63.200 0.050 0.000 1.148 136 S HN 0.976 nan 8.310 nan 0.000 0.447 137 G N 1.879 110.722 108.800 0.071 0.000 2.621 137 G HA2 0.538 4.500 3.960 0.002 0.000 0.271 137 G HA3 0.538 4.500 3.960 0.002 0.000 0.271 137 G C -0.586 174.354 174.900 0.068 0.000 1.236 137 G CA -0.198 44.940 45.100 0.063 0.000 0.958 137 G HN 0.569 nan 8.290 nan 0.000 0.512 138 T N 0.204 114.813 114.554 0.091 0.000 2.840 138 T HA 0.334 4.685 4.350 0.002 0.000 0.287 138 T C -0.280 174.531 174.700 0.184 0.000 0.991 138 T CA -0.357 61.817 62.100 0.123 0.000 0.964 138 T CB 1.761 70.698 68.868 0.114 0.000 0.954 138 T HN 0.583 nan 8.240 nan 0.000 0.438 139 E N 2.445 122.749 120.200 0.173 0.000 2.373 139 E HA 0.240 4.592 4.350 0.002 0.000 0.267 139 E C 0.439 177.195 176.600 0.259 0.000 1.032 139 E CA -0.121 56.391 56.400 0.187 0.000 0.889 139 E CB 0.554 30.356 29.700 0.170 0.000 0.984 139 E HN 0.567 nan 8.360 nan 0.000 0.425 140 I N 3.744 124.416 120.570 0.171 0.000 2.867 140 I HA 0.007 4.178 4.170 0.002 0.000 0.265 140 I C 0.821 177.017 176.117 0.132 0.000 1.162 140 I CA -0.207 61.117 61.300 0.039 0.000 1.471 140 I CB 0.104 37.945 38.000 -0.266 0.000 1.123 140 I HN 0.537 nan 8.210 nan 0.000 0.440 141 F N 2.237 122.228 119.950 0.069 0.000 2.623 141 F HA 0.228 4.756 4.527 0.002 0.000 0.383 141 F C 1.367 177.194 175.800 0.045 0.000 1.077 141 F CA 0.963 58.991 58.000 0.047 0.000 1.268 141 F CB 0.396 39.422 39.000 0.042 0.000 1.053 141 F HN 0.256 nan 8.300 nan 0.000 0.571 142 G N 3.526 111.868 108.800 -0.762 0.000 2.205 142 G HA2 -0.257 3.704 3.960 0.002 0.000 0.261 142 G HA3 -0.257 3.704 3.960 0.002 0.000 0.261 142 G C 0.377 175.247 174.900 -0.051 0.000 0.980 142 G CA 0.124 44.932 45.100 -0.486 0.000 0.632 142 G HN 0.590 nan 8.290 nan 0.000 0.533 143 K N 0.662 121.073 120.400 0.018 0.000 2.090 143 K HA 0.557 4.878 4.320 0.002 0.000 0.250 143 K C 0.152 176.883 176.600 0.218 0.000 1.004 143 K CA -0.150 56.247 56.287 0.183 0.000 0.919 143 K CB 0.635 33.348 32.500 0.355 0.000 1.045 143 K HN 0.094 nan 8.250 nan 0.000 0.471 144 T N 1.105 115.801 114.554 0.236 0.000 2.767 144 T HA 0.289 4.640 4.350 0.002 0.000 0.288 144 T C -0.366 174.469 174.700 0.226 0.000 0.963 144 T CA -0.507 61.724 62.100 0.218 0.000 1.019 144 T CB 0.744 69.698 68.868 0.144 0.000 0.923 144 T HN 0.098 nan 8.240 nan 0.000 0.468 145 V N 3.360 123.385 119.914 0.185 0.000 2.357 145 V HA 0.609 4.730 4.120 0.002 0.000 0.284 145 V C 0.721 176.895 176.094 0.133 0.000 1.018 145 V CA -0.868 61.539 62.300 0.179 0.000 0.841 145 V CB 1.678 33.555 31.823 0.089 0.000 0.991 145 V HN 1.003 nan 8.190 nan 0.000 0.437 146 G N 4.080 112.958 108.800 0.130 0.000 2.327 146 G HA2 0.508 4.469 3.960 0.002 0.000 0.302 146 G HA3 0.508 4.469 3.960 0.002 0.000 0.302 146 G C -0.621 174.351 174.900 0.120 0.000 1.113 146 G CA -0.256 44.910 45.100 0.111 0.000 0.921 146 G HN 0.529 nan 8.290 nan 0.000 0.425 147 V N 3.553 123.547 119.914 0.133 0.000 2.383 147 V HA 0.203 4.325 4.120 0.002 0.000 0.275 147 V C 0.107 176.310 176.094 0.182 0.000 1.036 147 V CA -0.575 61.828 62.300 0.172 0.000 0.889 147 V CB 1.522 33.440 31.823 0.158 0.000 0.985 147 V HN 0.470 nan 8.190 nan 0.000 0.459 148 V N 4.741 124.764 119.914 0.182 0.000 2.304 148 V HA 0.786 4.908 4.120 0.002 0.000 0.269 148 V C 0.635 176.848 176.094 0.198 0.000 1.036 148 V CA 0.286 62.714 62.300 0.213 0.000 0.840 148 V CB 0.523 32.444 31.823 0.163 0.000 1.036 148 V HN 1.251 nan 8.190 nan 0.000 0.466 149 G N 4.750 113.651 108.800 0.168 0.000 3.439 149 G HA2 -0.131 3.830 3.960 0.002 0.000 0.686 149 G HA3 -0.131 3.830 3.960 0.002 0.000 0.686 149 G C -0.668 174.300 174.900 0.114 0.000 1.075 149 G CA -0.706 44.467 45.100 0.121 0.000 0.926 149 G HN 0.667 nan 8.290 nan 0.000 0.485 150 L N 2.871 124.130 121.223 0.061 0.000 3.096 150 L HA 0.425 4.766 4.340 0.002 0.000 0.247 150 L C 1.427 178.306 176.870 0.015 0.000 1.321 150 L CA 0.202 55.062 54.840 0.035 0.000 1.044 150 L CB -0.146 41.929 42.059 0.027 0.000 1.434 150 L HN 0.805 nan 8.230 nan 0.000 0.533 151 G N -0.746 108.061 108.800 0.012 0.000 2.525 151 G HA2 0.156 4.117 3.960 0.002 0.000 0.287 151 G HA3 0.156 4.117 3.960 0.002 0.000 0.287 151 G C 0.879 175.750 174.900 -0.049 0.000 1.350 151 G CA -0.389 44.703 45.100 -0.013 0.000 1.039 151 G HN 0.162 nan 8.290 nan 0.000 0.513 152 R N -0.821 119.642 120.500 -0.061 0.000 2.162 152 R HA -0.170 4.172 4.340 0.002 0.000 0.245 152 R C 2.495 178.719 176.300 -0.127 0.000 1.129 152 R CA 1.519 57.566 56.100 -0.088 0.000 0.940 152 R CB -1.121 29.123 30.300 -0.093 0.000 0.875 152 R HN 0.616 nan 8.270 nan 0.000 0.437 153 I N -0.562 119.924 120.570 -0.140 0.000 2.179 153 I HA -0.172 4.000 4.170 0.002 0.000 0.242 153 I C 2.509 178.396 176.117 -0.383 0.000 1.088 153 I CA 1.651 62.821 61.300 -0.217 0.000 1.357 153 I CB -0.745 37.163 38.000 -0.152 0.000 1.051 153 I HN 0.282 nan 8.210 nan 0.000 0.409 154 G N -0.091 108.460 108.800 -0.415 0.000 2.450 154 G HA2 -0.246 3.715 3.960 0.002 0.000 0.220 154 G HA3 -0.246 3.715 3.960 0.002 0.000 0.220 154 G C 1.580 176.365 174.900 -0.191 0.000 1.130 154 G CA 0.519 45.366 45.100 -0.422 0.000 0.760 154 G HN 0.427 nan 8.290 nan 0.000 0.557 155 Q N -0.344 119.381 119.800 -0.126 0.000 2.046 155 Q HA 0.073 4.414 4.340 0.002 0.000 0.200 155 Q C 2.690 178.647 176.000 -0.071 0.000 0.975 155 Q CA 0.813 56.574 55.803 -0.070 0.000 0.836 155 Q CB -0.260 28.448 28.738 -0.049 0.000 0.896 155 Q HN 0.438 nan 8.270 nan 0.000 0.428 156 L N 0.073 121.237 121.223 -0.099 0.000 2.042 156 L HA -0.191 4.150 4.340 0.002 0.000 0.210 156 L C 2.386 179.223 176.870 -0.055 0.000 1.076 156 L CA 0.808 55.610 54.840 -0.063 0.000 0.749 156 L CB -0.511 41.499 42.059 -0.081 0.000 0.893 156 L HN 0.104 nan 8.230 nan 0.000 0.432 157 V N 0.042 119.882 119.914 -0.122 0.000 2.307 157 V HA -0.268 3.853 4.120 0.002 0.000 0.245 157 V C 2.782 178.855 176.094 -0.036 0.000 1.045 157 V CA 1.728 63.976 62.300 -0.086 0.000 1.024 157 V CB -0.815 30.917 31.823 -0.151 0.000 0.651 157 V HN 0.475 nan 8.190 nan 0.000 0.449 158 A N -0.869 121.929 122.820 -0.037 0.000 1.917 158 A HA -0.345 3.976 4.320 0.002 0.000 0.219 158 A C 2.168 179.758 177.584 0.011 0.000 1.182 158 A CA 2.335 54.371 52.037 -0.002 0.000 0.633 158 A CB -0.530 18.474 19.000 0.007 0.000 0.819 158 A HN 0.623 nan 8.150 nan 0.000 0.448 159 Q N -1.057 118.749 119.800 0.009 0.000 2.079 159 Q HA -0.136 4.205 4.340 0.002 0.000 0.200 159 Q C 2.383 178.413 176.000 0.050 0.000 0.974 159 Q CA 1.572 57.390 55.803 0.025 0.000 0.840 159 Q CB -0.091 28.661 28.738 0.023 0.000 0.898 159 Q HN 0.651 nan 8.270 nan 0.000 0.430 160 R N -0.046 120.492 120.500 0.063 0.000 2.073 160 R HA -0.137 4.204 4.340 0.002 0.000 0.234 160 R C 2.087 178.513 176.300 0.210 0.000 1.134 160 R CA 1.226 57.402 56.100 0.126 0.000 0.952 160 R CB -0.345 30.028 30.300 0.122 0.000 0.850 160 R HN 0.179 nan 8.270 nan 0.000 0.433 161 I N 0.616 121.244 120.570 0.096 0.000 2.493 161 I HA -0.136 4.036 4.170 0.002 0.000 0.254 161 I C 1.939 178.129 176.117 0.122 0.000 1.160 161 I CA 0.970 62.297 61.300 0.045 0.000 1.445 161 I CB -0.256 37.681 38.000 -0.104 0.000 1.086 161 I HN 0.167 nan 8.210 nan 0.000 0.433 162 A N 0.139 123.004 122.820 0.075 0.000 1.969 162 A HA -0.016 4.306 4.320 0.002 0.000 0.218 162 A C 2.422 180.029 177.584 0.038 0.000 1.169 162 A CA 1.373 53.425 52.037 0.026 0.000 0.635 162 A CB -0.989 18.017 19.000 0.010 0.000 0.810 162 A HN 0.447 nan 8.150 nan 0.000 0.445 163 A N -1.477 121.390 122.820 0.078 0.000 2.121 163 A HA 0.127 4.448 4.320 0.002 0.000 0.218 163 A C 1.516 179.081 177.584 -0.033 0.000 1.154 163 A CA 0.676 52.713 52.037 0.001 0.000 0.679 163 A CB -0.720 18.250 19.000 -0.050 0.000 0.795 163 A HN 0.483 nan 8.150 nan 0.000 0.458 164 F N -0.313 119.615 119.950 -0.036 0.000 2.804 164 F HA 0.283 4.811 4.527 0.002 0.000 0.303 164 F C 1.784 177.592 175.800 0.014 0.000 1.154 164 F CA 0.773 58.772 58.000 -0.002 0.000 1.401 164 F CB 0.033 39.001 39.000 -0.054 0.000 1.106 164 F HN 0.358 nan 8.300 nan 0.000 0.568 165 G N 0.687 109.510 108.800 0.038 0.000 2.160 165 G HA2 -0.140 3.822 3.960 0.002 0.000 0.244 165 G HA3 -0.140 3.822 3.960 0.002 0.000 0.244 165 G C 0.112 174.678 174.900 -0.556 0.000 1.022 165 G CA -0.090 44.849 45.100 -0.267 0.000 0.741 165 G HN 0.631 nan 8.290 nan 0.000 0.508 166 A N -0.382 122.256 122.820 -0.303 0.000 2.310 166 A HA 0.775 5.096 4.320 0.002 0.000 0.299 166 A C 0.015 177.412 177.584 -0.312 0.000 1.147 166 A CA -0.645 51.215 52.037 -0.295 0.000 0.818 166 A CB 0.558 19.479 19.000 -0.133 0.000 1.096 166 A HN 0.636 nan 8.150 nan 0.000 0.495 167 Y N 0.961 121.225 120.300 -0.061 0.000 2.319 167 Y HA 0.410 4.961 4.550 0.002 0.000 0.328 167 Y C 0.387 176.287 175.900 -0.000 0.000 1.133 167 Y CA -0.220 57.862 58.100 -0.029 0.000 1.265 167 Y CB 0.843 39.288 38.460 -0.025 0.000 1.218 167 Y HN 0.308 nan 8.280 nan 0.000 0.508 168 V N 4.749 124.753 119.914 0.151 0.000 2.459 168 V HA 0.548 4.670 4.120 0.002 0.000 0.295 168 V C -0.308 175.847 176.094 0.102 0.000 1.029 168 V CA -0.850 61.512 62.300 0.104 0.000 0.874 168 V CB 1.472 33.334 31.823 0.066 0.000 0.985 168 V HN 0.662 nan 8.190 nan 0.000 0.438 169 V N 2.189 122.162 119.914 0.098 0.000 2.919 169 V HA 1.086 5.207 4.120 0.002 0.000 0.316 169 V C -0.174 175.977 176.094 0.096 0.000 1.077 169 V CA -0.611 61.741 62.300 0.087 0.000 0.977 169 V CB 1.836 33.706 31.823 0.078 0.000 1.039 169 V HN 1.178 nan 8.190 nan 0.000 0.441 170 A N 2.383 125.262 122.820 0.098 0.000 2.515 170 A HA 0.837 5.158 4.320 0.002 0.000 0.296 170 A C -1.689 175.991 177.584 0.159 0.000 1.094 170 A CA -0.701 51.407 52.037 0.119 0.000 0.718 170 A CB 1.839 20.888 19.000 0.082 0.000 1.307 170 A HN 1.761 nan 8.150 nan 0.000 0.408 171 Y N 1.436 121.768 120.300 0.054 0.000 2.331 171 Y HA 0.631 5.183 4.550 0.002 0.000 0.334 171 Y C -1.163 174.778 175.900 0.068 0.000 0.960 171 Y CA -0.436 57.693 58.100 0.049 0.000 1.130 171 Y CB 1.500 39.986 38.460 0.044 0.000 1.164 171 Y HN 0.638 nan 8.280 nan 0.000 0.458 172 D N 8.351 128.426 120.400 -0.542 0.000 2.300 172 D HA 0.174 4.816 4.640 0.002 0.000 0.218 172 D C -2.567 173.530 176.300 -0.337 0.000 1.326 172 D CA -1.252 52.487 54.000 -0.434 0.000 0.942 172 D CB 1.986 42.719 40.800 -0.111 0.000 1.495 172 D HN 0.337 nan 8.370 nan 0.000 0.545 173 P HA 0.023 nan 4.420 nan 0.000 0.234 173 P C 0.367 177.382 177.300 -0.475 0.000 1.167 173 P CA 0.704 63.569 63.100 -0.391 0.000 0.763 173 P CB -0.105 31.345 31.700 -0.416 0.000 0.835 174 Y N -1.472 118.787 120.300 -0.068 0.000 2.658 174 Y HA 0.247 4.798 4.550 0.002 0.000 0.276 174 Y C 0.504 176.499 175.900 0.157 0.000 1.167 174 Y CA -0.420 57.720 58.100 0.066 0.000 1.230 174 Y CB 0.469 39.023 38.460 0.157 0.000 1.144 174 Y HN -0.304 nan 8.280 nan 0.000 0.529 175 V N 0.584 120.567 119.914 0.114 0.000 2.555 175 V HA 0.339 4.461 4.120 0.002 0.000 0.302 175 V C 0.092 176.209 176.094 0.039 0.000 1.038 175 V CA -1.252 61.104 62.300 0.092 0.000 0.887 175 V CB 1.948 33.799 31.823 0.048 0.000 0.991 175 V HN 0.304 nan 8.190 nan 0.000 0.434 176 S N 4.610 120.342 115.700 0.054 0.000 2.592 176 S HA 0.321 4.793 4.470 0.002 0.000 0.271 176 S C -1.776 172.830 174.600 0.010 0.000 1.326 176 S CA -0.816 57.397 58.200 0.022 0.000 1.024 176 S CB 1.248 64.468 63.200 0.033 0.000 0.921 176 S HN 0.529 nan 8.310 nan 0.000 0.527 177 P HA -0.094 nan 4.420 nan 0.000 0.215 177 P C 1.674 178.979 177.300 0.009 0.000 1.157 177 P CA 2.052 65.153 63.100 0.002 0.000 0.874 177 P CB -0.243 31.456 31.700 -0.002 0.000 0.790 178 A N -0.217 122.609 122.820 0.010 0.000 1.908 178 A HA -0.258 4.064 4.320 0.002 0.000 0.218 178 A C 2.400 179.993 177.584 0.015 0.000 1.181 178 A CA 2.250 54.294 52.037 0.012 0.000 0.627 178 A CB -1.157 17.851 19.000 0.012 0.000 0.818 178 A HN 0.043 nan 8.150 nan 0.000 0.445 179 R N -0.024 120.487 120.500 0.018 0.000 2.075 179 R HA 0.034 4.375 4.340 0.002 0.000 0.232 179 R C 2.123 178.433 176.300 0.017 0.000 1.126 179 R CA 1.851 57.962 56.100 0.018 0.000 0.963 179 R CB -0.712 29.602 30.300 0.024 0.000 0.858 179 R HN 0.363 nan 8.270 nan 0.000 0.435 180 A N 0.397 123.227 122.820 0.017 0.000 1.898 180 A HA 0.005 4.326 4.320 0.002 0.000 0.216 180 A C 2.390 179.986 177.584 0.020 0.000 1.181 180 A CA 1.605 53.653 52.037 0.018 0.000 0.620 180 A CB -1.027 17.983 19.000 0.018 0.000 0.819 180 A HN 0.508 nan 8.150 nan 0.000 0.442 181 A N -0.739 122.091 122.820 0.018 0.000 1.902 181 A HA -0.208 4.113 4.320 0.002 0.000 0.217 181 A C 2.092 179.687 177.584 0.018 0.000 1.181 181 A CA 1.656 53.704 52.037 0.018 0.000 0.623 181 A CB -0.584 18.425 19.000 0.015 0.000 0.818 181 A HN 0.635 nan 8.150 nan 0.000 0.443 182 Q N -0.569 119.240 119.800 0.016 0.000 2.135 182 Q HA -0.116 4.225 4.340 0.002 0.000 0.204 182 Q C 1.812 177.821 176.000 0.016 0.000 0.981 182 Q CA 1.453 57.265 55.803 0.015 0.000 0.856 182 Q CB -0.329 28.417 28.738 0.013 0.000 0.902 182 Q HN 0.685 nan 8.270 nan 0.000 0.425 183 L N -1.019 120.214 121.223 0.017 0.000 2.465 183 L HA 0.029 4.371 4.340 0.002 0.000 0.224 183 L C 1.192 178.075 176.870 0.022 0.000 1.145 183 L CA 0.503 55.354 54.840 0.017 0.000 0.834 183 L CB -0.171 41.898 42.059 0.016 0.000 0.944 183 L HN 0.429 nan 8.230 nan 0.000 0.451 184 G N 0.817 109.632 108.800 0.025 0.000 2.160 184 G HA2 -0.269 3.692 3.960 0.002 0.000 0.244 184 G HA3 -0.269 3.692 3.960 0.002 0.000 0.244 184 G C 0.088 175.011 174.900 0.039 0.000 1.022 184 G CA -0.056 45.063 45.100 0.031 0.000 0.741 184 G HN 0.298 nan 8.290 nan 0.000 0.508 185 I N 0.073 120.664 120.570 0.036 0.000 2.441 185 I HA 0.401 4.572 4.170 0.002 0.000 0.295 185 I C 0.385 176.527 176.117 0.041 0.000 0.994 185 I CA -0.881 60.445 61.300 0.044 0.000 1.144 185 I CB 1.910 39.934 38.000 0.040 0.000 1.314 185 I HN 0.251 nan 8.210 nan 0.000 0.445 186 E N 6.758 126.987 120.200 0.048 0.000 2.200 186 E HA 0.379 4.730 4.350 0.002 0.000 0.283 186 E C -1.351 175.277 176.600 0.046 0.000 1.015 186 E CA -0.585 55.839 56.400 0.040 0.000 0.819 186 E CB 1.192 30.912 29.700 0.035 0.000 1.081 186 E HN 0.520 nan 8.360 nan 0.000 0.397 187 L N 6.059 127.304 121.223 0.038 0.000 2.276 187 L HA 0.387 4.728 4.340 0.002 0.000 0.286 187 L C -0.340 176.566 176.870 0.059 0.000 1.061 187 L CA -0.471 54.395 54.840 0.045 0.000 0.807 187 L CB 0.625 42.697 42.059 0.022 0.000 1.177 187 L HN 0.566 nan 8.230 nan 0.000 0.429 188 L N 2.083 123.366 121.223 0.100 0.000 2.354 188 L HA 0.425 4.767 4.340 0.002 0.000 0.264 188 L C 0.297 177.285 176.870 0.198 0.000 1.008 188 L CA -0.734 54.174 54.840 0.112 0.000 0.819 188 L CB 2.394 44.510 42.059 0.095 0.000 1.339 188 L HN 0.640 nan 8.230 nan 0.000 0.420 189 S N 0.730 116.513 115.700 0.139 0.000 2.566 189 S HA -0.011 4.460 4.470 0.002 0.000 0.280 189 S C 0.868 175.479 174.600 0.020 0.000 1.343 189 S CA -0.427 57.854 58.200 0.135 0.000 1.036 189 S CB 0.714 63.942 63.200 0.046 0.000 0.866 189 S HN 0.590 nan 8.310 nan 0.000 0.526 190 L N 1.114 122.158 121.223 -0.297 0.000 2.127 190 L HA -0.048 4.293 4.340 0.002 0.000 0.211 190 L C 1.779 178.508 176.870 -0.235 0.000 1.089 190 L CA 1.935 56.419 54.840 -0.593 0.000 0.757 190 L CB -1.147 40.304 42.059 -1.014 0.000 0.899 190 L HN 0.783 nan 8.230 nan 0.000 0.434 191 D N -0.399 119.913 120.400 -0.146 0.000 2.117 191 D HA -0.154 4.487 4.640 0.002 0.000 0.198 191 D C 1.721 177.993 176.300 -0.047 0.000 0.982 191 D CA 1.292 55.243 54.000 -0.082 0.000 0.828 191 D CB -0.017 40.751 40.800 -0.055 0.000 0.967 191 D HN 0.398 nan 8.370 nan 0.000 0.464 192 D N 0.147 120.530 120.400 -0.027 0.000 2.149 192 D HA -0.065 4.576 4.640 0.002 0.000 0.201 192 D C 2.192 178.493 176.300 0.002 0.000 0.972 192 D CA 0.104 54.100 54.000 -0.006 0.000 0.835 192 D CB -0.253 40.553 40.800 0.010 0.000 0.966 192 D HN 0.161 nan 8.370 nan 0.000 0.476 193 L N 0.197 121.424 121.223 0.006 0.000 1.989 193 L HA -0.203 4.138 4.340 0.002 0.000 0.211 193 L C 1.995 178.867 176.870 0.003 0.000 1.071 193 L CA 1.099 55.953 54.840 0.022 0.000 0.749 193 L CB -0.201 41.886 42.059 0.046 0.000 0.890 193 L HN -0.010 nan 8.230 nan 0.000 0.431 194 L N 0.131 121.340 121.223 -0.024 0.000 2.051 194 L HA -0.246 4.095 4.340 0.002 0.000 0.214 194 L C 2.762 179.627 176.870 -0.007 0.000 1.076 194 L CA 2.126 56.953 54.840 -0.021 0.000 0.758 194 L CB -1.755 40.280 42.059 -0.039 0.000 0.890 194 L HN 0.426 nan 8.230 nan 0.000 0.433 195 A N -1.372 121.444 122.820 -0.008 0.000 1.929 195 A HA -0.139 4.182 4.320 0.002 0.000 0.216 195 A C 2.416 179.998 177.584 -0.003 0.000 1.176 195 A CA 1.152 53.187 52.037 -0.003 0.000 0.628 195 A CB -0.259 18.738 19.000 -0.006 0.000 0.816 195 A HN 0.352 nan 8.150 nan 0.000 0.444 196 R N -0.845 119.655 120.500 0.000 0.000 2.237 196 R HA 0.261 4.602 4.340 0.002 0.000 0.195 196 R C 0.594 176.900 176.300 0.011 0.000 0.956 196 R CA 0.600 56.702 56.100 0.003 0.000 1.029 196 R CB -0.066 30.239 30.300 0.007 0.000 0.972 196 R HN 0.418 nan 8.270 nan 0.000 0.493 197 A N 1.504 124.331 122.820 0.012 0.000 2.362 197 A HA 0.125 4.447 4.320 0.002 0.000 0.276 197 A C 0.256 177.824 177.584 -0.027 0.000 1.153 197 A CA -0.414 51.639 52.037 0.026 0.000 0.813 197 A CB 0.508 19.532 19.000 0.041 0.000 1.081 197 A HN 0.078 nan 8.150 nan 0.000 0.507 198 D N 1.237 121.623 120.400 -0.023 0.000 2.183 198 D HA 0.058 4.700 4.640 0.002 0.000 0.205 198 D C -0.443 175.563 176.300 -0.489 0.000 0.962 198 D CA 1.452 55.319 54.000 -0.222 0.000 0.849 198 D CB 0.122 40.825 40.800 -0.161 0.000 0.978 198 D HN 0.541 nan 8.370 nan 0.000 0.488 199 F N 0.352 120.291 119.950 -0.018 0.000 2.532 199 F HA 0.487 5.015 4.527 0.002 0.000 0.321 199 F C 0.137 175.927 175.800 -0.016 0.000 1.089 199 F CA -0.903 57.081 58.000 -0.027 0.000 0.926 199 F CB 1.828 40.804 39.000 -0.039 0.000 1.168 199 F HN -0.351 nan 8.300 nan 0.000 0.459 200 I N 1.658 122.309 120.570 0.135 0.000 2.436 200 I HA 0.377 4.548 4.170 0.002 0.000 0.289 200 I C -0.580 175.569 176.117 0.053 0.000 1.010 200 I CA -0.525 60.822 61.300 0.078 0.000 1.098 200 I CB 2.090 40.105 38.000 0.026 0.000 1.266 200 I HN 0.490 nan 8.210 nan 0.000 0.434 201 S N 5.766 121.493 115.700 0.044 0.000 2.552 201 S HA 0.576 5.047 4.470 0.002 0.000 0.314 201 S C -0.615 173.860 174.600 -0.209 0.000 1.099 201 S CA -0.654 57.517 58.200 -0.049 0.000 1.070 201 S CB 1.270 64.530 63.200 0.100 0.000 0.998 201 S HN 0.447 nan 8.310 nan 0.000 0.474 202 V N 4.143 123.834 119.914 -0.372 0.000 2.509 202 V HA 0.666 4.787 4.120 0.002 0.000 0.284 202 V C -0.407 175.273 176.094 -0.690 0.000 1.047 202 V CA -0.046 62.046 62.300 -0.346 0.000 0.952 202 V CB 1.114 32.843 31.823 -0.157 0.000 0.988 202 V HN 1.016 nan 8.190 nan 0.000 0.469 203 H N 4.864 123.953 119.070 0.032 0.000 2.907 203 H HA 0.416 4.973 4.556 0.002 0.000 0.233 203 H C -0.385 174.958 175.328 0.026 0.000 1.285 203 H CA -0.289 55.772 56.048 0.022 0.000 0.981 203 H CB 0.593 30.367 29.762 0.020 0.000 2.255 203 H HN 0.569 nan 8.280 nan 0.000 0.601 204 L N 2.861 124.133 121.223 0.082 0.000 2.399 204 L HA 0.324 4.665 4.340 0.002 0.000 0.266 204 L C -1.747 175.149 176.870 0.042 0.000 1.114 204 L CA -1.648 53.232 54.840 0.067 0.000 0.804 204 L CB 0.970 43.066 42.059 0.062 0.000 1.146 204 L HN 0.036 nan 8.230 nan 0.000 0.451 205 P HA 0.140 nan 4.420 nan 0.000 0.276 205 P C -1.334 175.974 177.300 0.013 0.000 1.252 205 P CA -0.715 62.396 63.100 0.018 0.000 0.802 205 P CB 0.951 32.654 31.700 0.005 0.000 1.035 206 K N 0.812 121.219 120.400 0.011 0.000 2.285 206 K HA 0.418 4.739 4.320 0.002 0.000 0.286 206 K C -0.144 176.461 176.600 0.007 0.000 1.072 206 K CA -0.099 56.194 56.287 0.010 0.000 0.913 206 K CB 0.067 32.574 32.500 0.011 0.000 1.067 206 K HN 0.626 nan 8.250 nan 0.000 0.479 207 T N 0.508 115.066 114.554 0.006 0.000 2.841 207 T HA 0.401 4.753 4.350 0.002 0.000 0.296 207 T C -2.216 172.490 174.700 0.009 0.000 1.166 207 T CA -1.624 60.477 62.100 0.003 0.000 1.007 207 T CB 1.565 70.426 68.868 -0.011 0.000 1.253 207 T HN 0.290 nan 8.240 nan 0.000 0.511 208 P HA 0.022 nan 4.420 nan 0.000 0.222 208 P C 0.841 178.153 177.300 0.019 0.000 1.147 208 P CA 0.937 64.044 63.100 0.013 0.000 0.790 208 P CB 0.101 31.807 31.700 0.010 0.000 0.780 209 E N -1.172 119.042 120.200 0.023 0.000 2.347 209 E HA -0.054 4.297 4.350 0.002 0.000 0.196 209 E C 1.716 178.348 176.600 0.054 0.000 1.008 209 E CA 1.152 57.576 56.400 0.040 0.000 0.852 209 E CB -0.363 29.364 29.700 0.045 0.000 0.783 209 E HN 0.188 nan 8.360 nan 0.000 0.505 210 T N -0.535 114.043 114.554 0.041 0.000 3.026 210 T HA 0.281 4.632 4.350 0.002 0.000 0.245 210 T C 0.512 175.231 174.700 0.032 0.000 1.004 210 T CA 0.260 62.389 62.100 0.048 0.000 1.069 210 T CB 0.219 69.110 68.868 0.037 0.000 1.005 210 T HN 0.151 nan 8.240 nan 0.000 0.472 211 A N 0.918 123.751 122.820 0.021 0.000 2.561 211 A HA 0.444 4.765 4.320 0.002 0.000 0.251 211 A C 1.564 179.154 177.584 0.010 0.000 1.062 211 A CA 0.691 52.736 52.037 0.013 0.000 0.761 211 A CB -0.985 18.021 19.000 0.011 0.000 0.986 211 A HN 0.986 nan 8.150 nan 0.000 0.510 212 G N 1.768 110.570 108.800 0.004 0.000 2.168 212 G HA2 -0.275 3.686 3.960 0.002 0.000 0.257 212 G HA3 -0.275 3.686 3.960 0.002 0.000 0.257 212 G C 0.821 175.721 174.900 -0.001 0.000 0.997 212 G CA 0.401 45.501 45.100 -0.000 0.000 0.708 212 G HN 0.971 nan 8.290 nan 0.000 0.520 213 L N -0.960 120.267 121.223 0.007 0.000 2.030 213 L HA -0.118 4.224 4.340 0.002 0.000 0.222 213 L C 1.598 178.459 176.870 -0.014 0.000 1.082 213 L CA 1.983 56.827 54.840 0.006 0.000 0.785 213 L CB -0.151 41.925 42.059 0.027 0.000 0.895 213 L HN 0.420 nan 8.230 nan 0.000 0.439 214 I N 0.666 121.226 120.570 -0.016 0.000 2.276 214 I HA 0.028 4.199 4.170 0.002 0.000 0.290 214 I C -0.103 176.003 176.117 -0.018 0.000 1.109 214 I CA -0.385 60.901 61.300 -0.023 0.000 1.229 214 I CB 0.455 38.441 38.000 -0.023 0.000 1.452 214 I HN 0.231 nan 8.210 nan 0.000 0.497 215 D N 4.200 124.589 120.400 -0.019 0.000 2.564 215 D HA 0.189 4.830 4.640 0.002 0.000 0.273 215 D C 1.199 177.489 176.300 -0.016 0.000 1.192 215 D CA -0.830 53.160 54.000 -0.016 0.000 1.080 215 D CB 0.518 41.309 40.800 -0.016 0.000 1.160 215 D HN 0.186 nan 8.370 nan 0.000 0.607 216 K N -0.123 120.267 120.400 -0.017 0.000 2.059 216 K HA -0.292 4.029 4.320 0.002 0.000 0.212 216 K C 1.560 178.143 176.600 -0.029 0.000 1.050 216 K CA 1.979 58.254 56.287 -0.021 0.000 0.927 216 K CB -0.175 32.312 32.500 -0.023 0.000 0.714 216 K HN 0.464 nan 8.250 nan 0.000 0.447 217 E N 0.032 120.214 120.200 -0.029 0.000 2.153 217 E HA -0.186 4.166 4.350 0.002 0.000 0.194 217 E C 1.978 178.557 176.600 -0.036 0.000 0.988 217 E CA 1.212 57.592 56.400 -0.035 0.000 0.811 217 E CB -0.160 29.521 29.700 -0.032 0.000 0.746 217 E HN 0.517 nan 8.360 nan 0.000 0.466 218 A N 1.054 123.854 122.820 -0.032 0.000 1.854 218 A HA -0.110 4.211 4.320 0.002 0.000 0.214 218 A C 2.017 179.593 177.584 -0.013 0.000 1.192 218 A CA 0.739 52.757 52.037 -0.032 0.000 0.611 218 A CB -0.503 18.473 19.000 -0.040 0.000 0.832 218 A HN 0.126 nan 8.150 nan 0.000 0.442 219 L N -0.193 121.029 121.223 -0.002 0.000 2.270 219 L HA -0.209 4.132 4.340 0.002 0.000 0.217 219 L C 2.657 179.549 176.870 0.035 0.000 1.107 219 L CA 1.760 56.620 54.840 0.033 0.000 0.772 219 L CB -1.182 40.894 42.059 0.029 0.000 0.902 219 L HN 0.460 nan 8.230 nan 0.000 0.439 220 A N -1.931 120.867 122.820 -0.037 0.000 2.178 220 A HA -0.061 4.260 4.320 0.002 0.000 0.211 220 A C 2.175 179.709 177.584 -0.084 0.000 1.157 220 A CA 0.519 52.479 52.037 -0.129 0.000 0.780 220 A CB -0.178 18.749 19.000 -0.122 0.000 0.828 220 A HN 0.335 nan 8.150 nan 0.000 0.476 221 K N 0.315 120.708 120.400 -0.013 0.000 2.374 221 K HA 0.058 4.379 4.320 0.002 0.000 0.196 221 K C 0.528 177.160 176.600 0.054 0.000 1.023 221 K CA 0.599 56.888 56.287 0.004 0.000 1.103 221 K CB 0.274 32.764 32.500 -0.017 0.000 0.848 221 K HN 0.619 nan 8.250 nan 0.000 0.528 222 T N -0.924 113.705 114.554 0.125 0.000 2.788 222 T HA 0.168 4.519 4.350 0.002 0.000 0.287 222 T C 0.256 175.032 174.700 0.127 0.000 1.007 222 T CA -0.786 61.375 62.100 0.101 0.000 1.005 222 T CB 0.990 69.897 68.868 0.065 0.000 1.012 222 T HN -0.144 nan 8.240 nan 0.000 0.530 223 K N 2.141 122.537 120.400 -0.006 0.000 2.412 223 K HA 0.157 4.478 4.320 0.002 0.000 0.281 223 K C -2.406 174.048 176.600 -0.243 0.000 1.027 223 K CA -1.391 54.860 56.287 -0.061 0.000 0.989 223 K CB 0.195 32.644 32.500 -0.085 0.000 0.935 223 K HN 0.429 nan 8.250 nan 0.000 0.475 224 P HA -0.054 nan 4.420 nan 0.000 0.263 224 P C 0.420 177.553 177.300 -0.279 0.000 1.195 224 P CA 0.750 63.636 63.100 -0.357 0.000 0.762 224 P CB 0.534 32.204 31.700 -0.050 0.000 0.799 225 G N 1.670 110.276 108.800 -0.324 0.000 2.179 225 G HA2 -0.224 3.738 3.960 0.002 0.000 0.220 225 G HA3 -0.224 3.738 3.960 0.002 0.000 0.220 225 G C 0.211 174.946 174.900 -0.274 0.000 0.990 225 G CA -0.146 44.816 45.100 -0.229 0.000 0.646 225 G HN 0.652 nan 8.290 nan 0.000 0.517 226 V N 1.327 121.054 119.914 -0.311 0.000 2.901 226 V HA 0.440 4.561 4.120 0.002 0.000 0.307 226 V C 0.686 176.619 176.094 -0.267 0.000 1.084 226 V CA 0.535 62.651 62.300 -0.307 0.000 1.184 226 V CB 0.814 32.499 31.823 -0.231 0.000 0.941 226 V HN 0.295 nan 8.190 nan 0.000 0.493 227 I N 6.800 127.185 120.570 -0.309 0.000 2.406 227 I HA 0.451 4.622 4.170 0.002 0.000 0.290 227 I C -0.605 175.486 176.117 -0.043 0.000 0.999 227 I CA -0.545 60.665 61.300 -0.150 0.000 1.124 227 I CB 1.726 39.655 38.000 -0.118 0.000 1.289 227 I HN 0.370 nan 8.210 nan 0.000 0.441 228 I N 7.024 127.584 120.570 -0.016 0.000 2.433 228 I HA 0.471 4.642 4.170 0.002 0.000 0.292 228 I C -0.235 175.879 176.117 -0.005 0.000 1.001 228 I CA -0.775 60.521 61.300 -0.006 0.000 1.119 228 I CB 1.732 39.720 38.000 -0.021 0.000 1.289 228 I HN 0.126 nan 8.210 nan 0.000 0.438 229 V N 5.545 125.449 119.914 -0.016 0.000 2.604 229 V HA 0.464 4.586 4.120 0.002 0.000 0.305 229 V C -0.258 175.772 176.094 -0.107 0.000 1.043 229 V CA -0.652 61.618 62.300 -0.049 0.000 0.888 229 V CB 2.306 34.106 31.823 -0.038 0.000 0.995 229 V HN 0.748 nan 8.190 nan 0.000 0.429 230 N N 2.954 121.582 118.700 -0.120 0.000 2.576 230 N HA 0.569 5.310 4.740 0.002 0.000 0.269 230 N C -0.001 175.413 175.510 -0.160 0.000 1.058 230 N CA -0.042 52.910 53.050 -0.164 0.000 0.860 230 N CB 1.848 40.241 38.487 -0.157 0.000 1.249 230 N HN 0.750 nan 8.380 nan 0.000 0.525 231 A N 2.063 124.803 122.820 -0.133 0.000 2.470 231 A HA 0.561 4.882 4.320 0.002 0.000 0.251 231 A C 1.337 178.888 177.584 -0.056 0.000 1.245 231 A CA 0.511 52.518 52.037 -0.049 0.000 0.932 231 A CB 0.027 19.072 19.000 0.074 0.000 1.037 231 A HN 0.597 nan 8.150 nan 0.000 0.522 232 A N -0.150 122.607 122.820 -0.105 0.000 1.864 232 A HA 0.562 4.884 4.320 0.002 0.000 0.213 232 A C 0.952 178.486 177.584 -0.084 0.000 1.266 232 A CA 0.736 52.740 52.037 -0.055 0.000 0.612 232 A CB 0.159 19.119 19.000 -0.067 0.000 0.940 232 A HN 0.274 nan 8.150 nan 0.000 0.463 233 R N -2.847 117.583 120.500 -0.117 0.000 2.523 233 R HA 0.468 4.809 4.340 0.002 0.000 0.278 233 R C 0.652 176.886 176.300 -0.110 0.000 1.150 233 R CA 0.555 56.599 56.100 -0.095 0.000 0.987 233 R CB 0.977 31.254 30.300 -0.038 0.000 1.232 233 R HN 0.914 nan 8.270 nan 0.000 0.424 234 G N 2.408 111.139 108.800 -0.114 0.000 2.669 234 G HA2 -0.388 3.573 3.960 0.002 0.000 0.365 234 G HA3 -0.388 3.573 3.960 0.002 0.000 0.365 234 G C 0.642 175.507 174.900 -0.058 0.000 1.119 234 G CA 0.795 45.860 45.100 -0.058 0.000 0.908 234 G HN 0.924 nan 8.290 nan 0.000 0.615 235 G N -1.455 107.329 108.800 -0.028 0.000 3.899 235 G HA2 0.491 4.452 3.960 0.002 0.000 0.293 235 G HA3 0.491 4.452 3.960 0.002 0.000 0.293 235 G C 1.188 176.073 174.900 -0.025 0.000 1.054 235 G CA 0.610 45.698 45.100 -0.020 0.000 0.846 235 G HN 0.419 nan 8.290 nan 0.000 0.525 236 L N 0.528 121.728 121.223 -0.038 0.000 2.089 236 L HA -0.048 4.293 4.340 0.002 0.000 0.213 236 L C 1.331 178.185 176.870 -0.028 0.000 1.079 236 L CA 1.136 55.958 54.840 -0.029 0.000 0.758 236 L CB -0.718 41.318 42.059 -0.039 0.000 0.891 236 L HN 0.086 nan 8.230 nan 0.000 0.433 237 V N 0.655 120.546 119.914 -0.039 0.000 2.350 237 V HA 0.140 4.261 4.120 0.002 0.000 0.276 237 V C 0.268 176.351 176.094 -0.018 0.000 1.028 237 V CA -1.291 60.992 62.300 -0.029 0.000 0.860 237 V CB 1.235 33.036 31.823 -0.035 0.000 0.990 237 V HN 0.169 nan 8.190 nan 0.000 0.453 238 D N 3.927 124.320 120.400 -0.011 0.000 2.502 238 D HA -0.050 4.591 4.640 0.002 0.000 0.249 238 D C 1.074 177.374 176.300 -0.000 0.000 1.188 238 D CA 0.418 54.415 54.000 -0.005 0.000 0.890 238 D CB 0.918 41.714 40.800 -0.006 0.000 1.140 238 D HN 0.690 nan 8.370 nan 0.000 0.505 239 E N 2.494 122.697 120.200 0.006 0.000 2.110 239 E HA -0.191 4.161 4.350 0.002 0.000 0.193 239 E C 1.835 178.437 176.600 0.004 0.000 0.988 239 E CA 1.154 57.563 56.400 0.014 0.000 0.804 239 E CB 0.109 29.825 29.700 0.026 0.000 0.745 239 E HN 0.618 nan 8.360 nan 0.000 0.458 240 A N 1.041 123.859 122.820 -0.004 0.000 1.930 240 A HA 0.037 4.358 4.320 0.002 0.000 0.215 240 A C 2.319 179.901 177.584 -0.004 0.000 1.176 240 A CA 1.256 53.288 52.037 -0.008 0.000 0.632 240 A CB -0.415 18.577 19.000 -0.013 0.000 0.819 240 A HN 0.282 nan 8.150 nan 0.000 0.445 241 A N -0.121 122.697 122.820 -0.003 0.000 1.902 241 A HA -0.059 4.263 4.320 0.002 0.000 0.217 241 A C 2.170 179.758 177.584 0.007 0.000 1.181 241 A CA 1.418 53.454 52.037 -0.002 0.000 0.623 241 A CB -0.629 18.369 19.000 -0.005 0.000 0.818 241 A HN 0.478 nan 8.150 nan 0.000 0.443 242 L N -0.616 120.613 121.223 0.010 0.000 1.971 242 L HA -0.270 4.072 4.340 0.002 0.000 0.215 242 L C 3.024 179.907 176.870 0.021 0.000 1.072 242 L CA 1.937 56.788 54.840 0.017 0.000 0.758 242 L CB -0.733 41.337 42.059 0.019 0.000 0.889 242 L HN 0.463 nan 8.230 nan 0.000 0.433 243 A N -0.345 122.485 122.820 0.018 0.000 1.892 243 A HA -0.296 4.025 4.320 0.002 0.000 0.218 243 A C 1.831 179.424 177.584 0.015 0.000 1.188 243 A CA 2.215 54.262 52.037 0.017 0.000 0.631 243 A CB -0.764 18.239 19.000 0.006 0.000 0.822 243 A HN 0.512 nan 8.150 nan 0.000 0.447 244 D N -0.116 120.290 120.400 0.010 0.000 2.104 244 D HA -0.095 4.546 4.640 0.002 0.000 0.194 244 D C 2.205 178.516 176.300 0.018 0.000 0.994 244 D CA 1.820 55.825 54.000 0.008 0.000 0.830 244 D CB -0.481 40.319 40.800 -0.000 0.000 0.959 244 D HN 0.443 nan 8.370 nan 0.000 0.452 245 A N 0.473 123.311 122.820 0.028 0.000 2.014 245 A HA -0.085 4.236 4.320 0.002 0.000 0.218 245 A C 2.188 179.807 177.584 0.059 0.000 1.163 245 A CA 0.524 52.596 52.037 0.058 0.000 0.652 245 A CB -0.303 18.747 19.000 0.084 0.000 0.808 245 A HN 0.112 nan 8.150 nan 0.000 0.449 246 I N -0.018 120.574 120.570 0.037 0.000 2.110 246 I HA -0.177 3.994 4.170 0.002 0.000 0.236 246 I C 2.588 178.719 176.117 0.024 0.000 1.068 246 I CA 2.051 63.367 61.300 0.027 0.000 1.333 246 I CB -1.793 36.223 38.000 0.028 0.000 1.054 246 I HN 0.256 nan 8.210 nan 0.000 0.402 247 T N 1.087 115.655 114.554 0.022 0.000 2.570 247 T HA -0.203 4.148 4.350 0.002 0.000 0.266 247 T C 1.832 176.543 174.700 0.018 0.000 1.071 247 T CA 1.868 63.979 62.100 0.017 0.000 1.172 247 T CB -1.059 67.816 68.868 0.013 0.000 0.864 247 T HN 0.557 nan 8.240 nan 0.000 0.421 248 G N -0.010 108.803 108.800 0.022 0.000 2.537 248 G HA2 0.122 4.083 3.960 0.002 0.000 0.220 248 G HA3 0.122 4.083 3.960 0.002 0.000 0.220 248 G C 1.268 176.191 174.900 0.039 0.000 1.111 248 G CA 1.017 46.132 45.100 0.025 0.000 0.748 248 G HN 0.977 nan 8.290 nan 0.000 0.564 249 G N -0.853 107.971 108.800 0.041 0.000 2.308 249 G HA2 -0.363 3.598 3.960 0.002 0.000 0.221 249 G HA3 -0.363 3.598 3.960 0.002 0.000 0.221 249 G C 0.965 175.893 174.900 0.046 0.000 1.032 249 G CA 1.104 46.225 45.100 0.035 0.000 0.623 249 G HN 0.649 nan 8.290 nan 0.000 0.506 250 H N 1.091 120.148 119.070 -0.021 0.000 2.319 250 H HA 0.177 4.734 4.556 0.002 0.000 0.297 250 H C 1.692 176.998 175.328 -0.036 0.000 1.097 250 H CA 2.514 58.546 56.048 -0.028 0.000 1.285 250 H CB -0.120 29.627 29.762 -0.026 0.000 1.368 250 H HN 1.019 nan 8.280 nan 0.000 0.495 251 V N 0.731 120.600 119.914 -0.075 0.000 2.427 251 V HA 0.266 4.387 4.120 0.002 0.000 0.286 251 V C 1.269 177.312 176.094 -0.086 0.000 1.034 251 V CA -0.415 61.802 62.300 -0.138 0.000 0.893 251 V CB 1.658 33.442 31.823 -0.064 0.000 0.982 251 V HN 0.470 nan 8.190 nan 0.000 0.452 252 R N 4.349 124.780 120.500 -0.114 0.000 2.062 252 R HA 0.403 4.744 4.340 0.002 0.000 0.229 252 R C 0.687 176.964 176.300 -0.037 0.000 1.128 252 R CA 1.407 57.462 56.100 -0.075 0.000 0.960 252 R CB 0.111 30.353 30.300 -0.096 0.000 0.855 252 R HN 1.011 nan 8.270 nan 0.000 0.432 253 A N -1.024 121.772 122.820 -0.040 0.000 2.588 253 A HA 0.771 5.092 4.320 0.002 0.000 0.290 253 A C -1.740 175.843 177.584 -0.002 0.000 1.136 253 A CA -0.353 51.681 52.037 -0.005 0.000 0.681 253 A CB 1.497 20.504 19.000 0.010 0.000 1.282 253 A HN 0.339 nan 8.150 nan 0.000 0.421 254 A N -1.079 121.752 122.820 0.018 0.000 2.612 254 A HA 0.839 5.161 4.320 0.002 0.000 0.293 254 A C -0.376 177.223 177.584 0.024 0.000 1.075 254 A CA 0.008 52.056 52.037 0.018 0.000 0.680 254 A CB 1.243 20.255 19.000 0.021 0.000 1.279 254 A HN 2.371 nan 8.150 nan 0.000 0.411 255 G N 0.429 109.233 108.800 0.006 0.000 2.666 255 G HA2 0.599 4.560 3.960 0.002 0.000 0.303 255 G HA3 0.599 4.560 3.960 0.002 0.000 0.303 255 G C -1.319 173.565 174.900 -0.028 0.000 1.412 255 G CA -0.343 44.754 45.100 -0.005 0.000 0.979 255 G HN 0.638 nan 8.290 nan 0.000 0.507 256 L N 1.896 123.113 121.223 -0.009 0.000 2.385 256 L HA 0.419 4.761 4.340 0.002 0.000 0.273 256 L C -0.170 176.614 176.870 -0.144 0.000 0.990 256 L CA -0.603 54.163 54.840 -0.123 0.000 0.821 256 L CB 2.645 44.638 42.059 -0.111 0.000 1.279 256 L HN 0.745 nan 8.230 nan 0.000 0.412 257 D N 1.492 121.736 120.400 -0.259 0.000 2.500 257 D HA 0.157 4.798 4.640 0.002 0.000 0.218 257 D C -0.441 175.630 176.300 -0.381 0.000 1.140 257 D CA 0.214 54.135 54.000 -0.132 0.000 0.830 257 D CB 0.929 41.773 40.800 0.072 0.000 1.055 257 D HN 0.179 nan 8.370 nan 0.000 0.512 258 V N -1.783 117.668 119.914 -0.772 0.000 3.007 258 V HA 0.730 4.852 4.120 0.002 0.000 0.311 258 V C -0.992 174.503 176.094 -0.999 0.000 1.120 258 V CA -1.056 60.819 62.300 -0.709 0.000 0.980 258 V CB 1.538 33.052 31.823 -0.514 0.000 1.033 258 V HN -0.104 nan 8.190 nan 0.000 0.429 259 F N 0.422 120.364 119.950 -0.013 0.000 2.588 259 F HA 0.851 5.379 4.527 0.003 0.000 0.314 259 F C 1.325 177.128 175.800 0.006 0.000 1.069 259 F CA -0.256 57.755 58.000 0.018 0.000 0.931 259 F CB 2.066 41.104 39.000 0.063 0.000 1.260 259 F HN 0.741 nan 8.300 nan 0.000 0.465 260 A N 0.376 123.297 122.820 0.169 0.000 1.873 260 A HA -0.097 4.224 4.320 0.002 0.000 0.218 260 A C 1.122 178.760 177.584 0.089 0.000 1.193 260 A CA 2.225 54.311 52.037 0.083 0.000 0.629 260 A CB -0.772 18.263 19.000 0.058 0.000 0.826 260 A HN 0.614 nan 8.150 nan 0.000 0.447 261 T N -0.117 114.501 114.554 0.106 0.000 2.809 261 T HA 0.470 4.821 4.350 0.002 0.000 0.296 261 T C -0.126 174.651 174.700 0.128 0.000 1.015 261 T CA -0.510 61.644 62.100 0.091 0.000 0.954 261 T CB 0.711 69.609 68.868 0.050 0.000 0.950 261 T HN 0.482 nan 8.240 nan 0.000 0.450 262 E N 3.300 123.590 120.200 0.150 0.000 4.127 262 E HA 0.345 4.696 4.350 0.002 0.000 0.334 262 E C -1.911 174.754 176.600 0.109 0.000 1.483 262 E CA -1.454 55.055 56.400 0.182 0.000 1.817 262 E CB 0.030 29.871 29.700 0.236 0.000 1.406 262 E HN 0.425 nan 8.360 nan 0.000 0.813 263 P HA -0.226 nan 4.420 nan 0.000 0.139 263 P C -1.227 176.101 177.300 0.046 0.000 0.862 263 P CA 0.548 63.690 63.100 0.070 0.000 0.998 263 P CB -0.373 31.356 31.700 0.048 0.000 1.437 264 C N 3.890 123.209 119.300 0.032 0.000 2.321 264 C HA 0.481 4.942 4.460 0.002 0.000 0.323 264 C C 1.367 176.374 174.990 0.028 0.000 1.191 264 C CA 0.511 59.505 59.018 -0.039 0.000 1.455 264 C CB 0.053 27.692 27.740 -0.167 0.000 2.083 264 C HN 0.696 nan 8.230 nan 0.000 0.442 265 T N -0.374 114.212 114.554 0.054 0.000 3.145 265 T HA 0.229 4.580 4.350 0.002 0.000 0.281 265 T C 0.256 175.040 174.700 0.141 0.000 1.003 265 T CA 0.168 62.358 62.100 0.150 0.000 0.901 265 T CB -0.159 68.747 68.868 0.063 0.000 1.112 265 T HN 0.760 nan 8.240 nan 0.000 0.535 266 D N -0.312 120.054 120.400 -0.058 0.000 2.602 266 D HA 0.189 4.830 4.640 0.002 0.000 0.265 266 D C 0.112 176.203 176.300 -0.348 0.000 1.454 266 D CA -0.395 53.526 54.000 -0.131 0.000 0.795 266 D CB -0.177 40.581 40.800 -0.071 0.000 1.140 266 D HN 0.217 nan 8.370 nan 0.000 0.486 267 S N 2.079 117.282 115.700 -0.829 0.000 2.537 267 S HA 0.141 4.612 4.470 0.002 0.000 0.286 267 S C -1.064 173.202 174.600 -0.556 0.000 1.299 267 S CA -0.739 56.972 58.200 -0.815 0.000 1.067 267 S CB 1.067 63.526 63.200 -1.236 0.000 0.864 267 S HN -0.042 nan 8.310 nan 0.000 0.494 268 P HA -0.132 nan 4.420 nan 0.000 0.218 268 P C 1.410 178.665 177.300 -0.074 0.000 1.146 268 P CA 1.112 64.137 63.100 -0.125 0.000 0.813 268 P CB -0.071 31.583 31.700 -0.077 0.000 0.778 269 L N -1.993 119.165 121.223 -0.108 0.000 2.187 269 L HA -0.149 4.192 4.340 0.002 0.000 0.213 269 L C 2.179 179.195 176.870 0.244 0.000 1.100 269 L CA 1.052 55.926 54.840 0.056 0.000 0.765 269 L CB -0.998 41.129 42.059 0.113 0.000 0.904 269 L HN -0.094 nan 8.230 nan 0.000 0.437 270 F N -0.066 119.889 119.950 0.009 0.000 2.699 270 F HA -0.077 4.451 4.527 0.002 0.000 0.298 270 F C 1.981 177.783 175.800 0.003 0.000 1.154 270 F CA 0.515 58.514 58.000 -0.003 0.000 1.457 270 F CB -0.683 38.292 39.000 -0.042 0.000 1.106 270 F HN 0.087 nan 8.300 nan 0.000 0.585 271 E N -0.200 120.102 120.200 0.171 0.000 2.481 271 E HA 0.230 4.581 4.350 0.002 0.000 0.198 271 E C -0.184 176.462 176.600 0.077 0.000 1.027 271 E CA 0.169 56.628 56.400 0.097 0.000 0.900 271 E CB 0.133 29.867 29.700 0.057 0.000 0.993 271 E HN 0.184 nan 8.360 nan 0.000 0.482 272 L N -0.118 121.161 121.223 0.095 0.000 2.296 272 L HA 0.464 4.806 4.340 0.002 0.000 0.286 272 L C 1.118 178.034 176.870 0.077 0.000 1.023 272 L CA -0.594 54.289 54.840 0.073 0.000 0.812 272 L CB 1.769 43.868 42.059 0.067 0.000 1.223 272 L HN -0.024 nan 8.230 nan 0.000 0.421 273 A N 2.837 125.692 122.820 0.058 0.000 1.930 273 A HA -0.124 4.198 4.320 0.002 0.000 0.217 273 A C 1.816 179.438 177.584 0.065 0.000 1.175 273 A CA 0.993 53.066 52.037 0.061 0.000 0.627 273 A CB -0.246 18.786 19.000 0.053 0.000 0.815 273 A HN 0.835 nan 8.150 nan 0.000 0.443 274 Q N 0.047 119.880 119.800 0.056 0.000 2.431 274 Q HA 0.104 4.445 4.340 0.002 0.000 0.210 274 Q C -0.512 175.519 176.000 0.053 0.000 0.958 274 Q CA 0.450 56.283 55.803 0.051 0.000 0.957 274 Q CB -0.606 28.154 28.738 0.035 0.000 1.007 274 Q HN 0.285 nan 8.270 nan 0.000 0.511 275 V N 1.745 121.701 119.914 0.070 0.000 2.376 275 V HA 0.252 4.373 4.120 0.002 0.000 0.287 275 V C -0.164 175.984 176.094 0.091 0.000 1.015 275 V CA -0.886 61.465 62.300 0.084 0.000 0.834 275 V CB 1.797 33.690 31.823 0.118 0.000 1.001 275 V HN 0.019 nan 8.190 nan 0.000 0.428 276 V N 6.424 126.378 119.914 0.067 0.000 2.530 276 V HA 0.495 4.617 4.120 0.002 0.000 0.282 276 V C 0.120 176.267 176.094 0.088 0.000 1.048 276 V CA -0.214 62.118 62.300 0.054 0.000 0.997 276 V CB 1.503 33.337 31.823 0.019 0.000 0.987 276 V HN 0.736 nan 8.190 nan 0.000 0.477 277 V N 2.021 121.992 119.914 0.095 0.000 2.876 277 V HA 1.027 5.148 4.120 0.002 0.000 0.312 277 V C -0.366 175.805 176.094 0.128 0.000 1.085 277 V CA -0.455 61.952 62.300 0.179 0.000 0.945 277 V CB 2.150 34.125 31.823 0.254 0.000 1.017 277 V HN 0.933 nan 8.190 nan 0.000 0.428 278 T N 0.194 114.888 114.554 0.233 0.000 2.956 278 T HA 0.632 4.983 4.350 0.002 0.000 0.312 278 T C -3.211 171.660 174.700 0.285 0.000 1.151 278 T CA -1.624 60.597 62.100 0.201 0.000 1.024 278 T CB 2.136 71.163 68.868 0.266 0.000 1.140 278 T HN 0.686 nan 8.240 nan 0.000 0.473 279 P HA 0.188 nan 4.420 nan 0.000 0.244 279 P C 0.176 177.635 177.300 0.265 0.000 1.769 279 P CA 0.267 63.512 63.100 0.242 0.000 1.102 279 P CB -1.177 30.588 31.700 0.108 0.000 1.937 280 H N 0.223 119.391 119.070 0.163 0.000 2.626 280 H HA -0.182 4.375 4.556 0.002 0.000 0.317 280 H C -0.434 174.876 175.328 -0.029 0.000 1.140 280 H CA -0.518 55.567 56.048 0.060 0.000 1.134 280 H CB -0.624 29.186 29.762 0.082 0.000 1.486 280 H HN 0.162 nan 8.280 nan 0.000 0.417 281 L N -0.342 120.902 121.223 0.035 0.000 2.468 281 L HA 0.463 4.805 4.340 0.002 0.000 0.254 281 L C 1.729 178.397 176.870 -0.337 0.000 1.171 281 L CA 1.214 55.946 54.840 -0.180 0.000 0.809 281 L CB 1.107 42.992 42.059 -0.289 0.000 1.155 281 L HN 0.577 nan 8.230 nan 0.000 0.473 282 G N -0.130 108.467 108.800 -0.339 0.000 4.077 282 G HA2 -0.090 3.871 3.960 0.002 0.000 0.199 282 G HA3 -0.090 3.871 3.960 0.002 0.000 0.199 282 G C 0.588 175.465 174.900 -0.038 0.000 1.302 282 G CA 0.438 45.422 45.100 -0.193 0.000 0.918 282 G HN 0.814 nan 8.290 nan 0.000 0.369 283 A N 0.566 123.379 122.820 -0.012 0.000 2.308 283 A HA 0.634 4.955 4.320 0.002 0.000 0.217 283 A C 1.193 178.762 177.584 -0.025 0.000 1.216 283 A CA 1.313 53.347 52.037 -0.004 0.000 0.864 283 A CB 0.027 19.028 19.000 0.002 0.000 0.902 283 A HN 0.694 nan 8.150 nan 0.000 0.499 284 S N 1.477 117.145 115.700 -0.053 0.000 3.072 284 S HA 0.417 4.888 4.470 0.002 0.000 0.306 284 S C -0.382 174.204 174.600 -0.024 0.000 1.207 284 S CA 0.242 58.416 58.200 -0.043 0.000 1.008 284 S CB -0.242 62.926 63.200 -0.053 0.000 1.390 284 S HN 0.354 nan 8.310 nan 0.000 0.523 285 T N 1.465 116.014 114.554 -0.009 0.000 3.435 285 T HA 0.376 4.727 4.350 0.002 0.000 0.344 285 T C 1.009 175.714 174.700 0.008 0.000 1.211 285 T CA -0.311 61.792 62.100 0.005 0.000 1.104 285 T CB 1.320 70.197 68.868 0.015 0.000 1.196 285 T HN 0.355 nan 8.240 nan 0.000 0.471 286 A N 2.852 125.677 122.820 0.008 0.000 1.903 286 A HA -0.154 4.167 4.320 0.002 0.000 0.219 286 A C 1.871 179.462 177.584 0.012 0.000 1.191 286 A CA 2.300 54.342 52.037 0.009 0.000 0.638 286 A CB -0.501 18.503 19.000 0.007 0.000 0.823 286 A HN 0.835 nan 8.150 nan 0.000 0.451 287 E N -0.119 120.089 120.200 0.014 0.000 2.077 287 E HA -0.005 4.346 4.350 0.002 0.000 0.193 287 E C 2.227 178.842 176.600 0.025 0.000 0.989 287 E CA 1.366 57.777 56.400 0.017 0.000 0.800 287 E CB -0.467 29.242 29.700 0.015 0.000 0.746 287 E HN 0.611 nan 8.360 nan 0.000 0.452 288 A N 0.662 123.499 122.820 0.028 0.000 1.930 288 A HA -0.173 4.149 4.320 0.002 0.000 0.217 288 A C 1.992 179.588 177.584 0.020 0.000 1.175 288 A CA 1.085 53.141 52.037 0.031 0.000 0.627 288 A CB -0.240 18.778 19.000 0.030 0.000 0.815 288 A HN 0.066 nan 8.150 nan 0.000 0.443 289 Q N 0.253 120.061 119.800 0.013 0.000 2.123 289 Q HA -0.117 4.224 4.340 0.002 0.000 0.199 289 Q C 1.374 177.383 176.000 0.015 0.000 0.966 289 Q CA 1.487 57.297 55.803 0.010 0.000 0.845 289 Q CB -0.493 28.249 28.738 0.007 0.000 0.907 289 Q HN 0.629 nan 8.270 nan 0.000 0.439 290 D N 0.297 120.708 120.400 0.017 0.000 2.097 290 D HA -0.124 4.517 4.640 0.002 0.000 0.197 290 D C 1.992 178.303 176.300 0.019 0.000 0.984 290 D CA 0.939 54.950 54.000 0.019 0.000 0.826 290 D CB -0.152 40.659 40.800 0.018 0.000 0.973 290 D HN 0.064 nan 8.370 nan 0.000 0.460 291 R N 0.797 121.309 120.500 0.021 0.000 2.096 291 R HA -0.147 4.195 4.340 0.002 0.000 0.240 291 R C 2.127 178.436 176.300 0.015 0.000 1.139 291 R CA 1.683 57.796 56.100 0.023 0.000 0.952 291 R CB -0.526 29.796 30.300 0.037 0.000 0.854 291 R HN 0.135 nan 8.270 nan 0.000 0.436 292 A N -0.398 122.429 122.820 0.012 0.000 1.884 292 A HA -0.177 4.145 4.320 0.002 0.000 0.219 292 A C 2.384 179.967 177.584 -0.001 0.000 1.197 292 A CA 2.091 54.129 52.037 0.003 0.000 0.637 292 A CB -1.592 17.409 19.000 0.001 0.000 0.827 292 A HN 0.577 nan 8.150 nan 0.000 0.450 293 G N -1.248 107.556 108.800 0.007 0.000 2.402 293 G HA2 -0.167 3.795 3.960 0.002 0.000 0.216 293 G HA3 -0.167 3.795 3.960 0.002 0.000 0.216 293 G C 1.755 176.658 174.900 0.004 0.000 1.162 293 G CA 2.128 47.233 45.100 0.009 0.000 0.777 293 G HN 0.791 nan 8.290 nan 0.000 0.539 294 T N -1.815 112.743 114.554 0.007 0.000 3.014 294 T HA 0.002 4.354 4.350 0.002 0.000 0.263 294 T C 1.779 176.476 174.700 -0.005 0.000 1.078 294 T CA 1.418 63.521 62.100 0.004 0.000 1.135 294 T CB -0.105 68.769 68.868 0.010 0.000 0.895 294 T HN 0.069 nan 8.240 nan 0.000 0.480 295 D N 1.307 121.703 120.400 -0.007 0.000 2.087 295 D HA -0.058 4.583 4.640 0.002 0.000 0.192 295 D C 2.254 178.534 176.300 -0.032 0.000 0.993 295 D CA 0.957 54.947 54.000 -0.016 0.000 0.828 295 D CB -0.803 39.988 40.800 -0.014 0.000 0.968 295 D HN 0.232 nan 8.370 nan 0.000 0.448 296 V N 0.849 120.742 119.914 -0.035 0.000 2.469 296 V HA -0.234 3.887 4.120 0.002 0.000 0.251 296 V C 2.249 178.311 176.094 -0.054 0.000 1.064 296 V CA 1.848 64.118 62.300 -0.050 0.000 1.066 296 V CB -0.494 31.302 31.823 -0.045 0.000 0.667 296 V HN 0.214 nan 8.190 nan 0.000 0.461 297 A N -0.375 122.421 122.820 -0.040 0.000 1.930 297 A HA -0.217 4.104 4.320 0.002 0.000 0.217 297 A C 2.131 179.690 177.584 -0.042 0.000 1.175 297 A CA 1.855 53.867 52.037 -0.041 0.000 0.627 297 A CB -0.432 18.554 19.000 -0.023 0.000 0.815 297 A HN 0.612 nan 8.150 nan 0.000 0.443 298 E N 0.185 120.363 120.200 -0.037 0.000 2.072 298 E HA -0.092 4.260 4.350 0.002 0.000 0.191 298 E C 2.112 178.678 176.600 -0.056 0.000 0.985 298 E CA 1.589 57.967 56.400 -0.037 0.000 0.801 298 E CB -0.360 29.323 29.700 -0.027 0.000 0.750 298 E HN 0.421 nan 8.360 nan 0.000 0.452 299 S N -0.629 115.028 115.700 -0.072 0.000 2.359 299 S HA -0.147 4.324 4.470 0.002 0.000 0.224 299 S C 1.944 176.483 174.600 -0.102 0.000 1.035 299 S CA 1.261 59.398 58.200 -0.105 0.000 1.018 299 S CB -0.361 62.769 63.200 -0.118 0.000 0.876 299 S HN 0.200 nan 8.310 nan 0.000 0.448 300 V N 1.682 121.544 119.914 -0.086 0.000 2.407 300 V HA -0.170 3.952 4.120 0.002 0.000 0.248 300 V C 2.468 178.522 176.094 -0.067 0.000 1.055 300 V CA 1.736 63.988 62.300 -0.081 0.000 1.049 300 V CB -0.618 31.157 31.823 -0.080 0.000 0.662 300 V HN 0.376 nan 8.190 nan 0.000 0.455 301 R N -0.189 120.277 120.500 -0.057 0.000 2.070 301 R HA -0.147 4.194 4.340 0.002 0.000 0.233 301 R C 2.343 178.619 176.300 -0.041 0.000 1.137 301 R CA 1.784 57.858 56.100 -0.043 0.000 0.945 301 R CB -0.341 29.940 30.300 -0.032 0.000 0.845 301 R HN 0.433 nan 8.270 nan 0.000 0.430 302 L N 0.418 121.612 121.223 -0.048 0.000 2.012 302 L HA -0.205 4.136 4.340 0.002 0.000 0.210 302 L C 2.783 179.624 176.870 -0.049 0.000 1.073 302 L CA 1.509 56.323 54.840 -0.043 0.000 0.748 302 L CB -0.712 41.310 42.059 -0.062 0.000 0.891 302 L HN 0.334 nan 8.230 nan 0.000 0.431 303 A N 0.421 123.196 122.820 -0.075 0.000 1.869 303 A HA -0.246 4.075 4.320 0.002 0.000 0.218 303 A C 2.264 179.820 177.584 -0.046 0.000 1.203 303 A CA 2.092 54.085 52.037 -0.073 0.000 0.638 303 A CB -1.029 17.917 19.000 -0.090 0.000 0.831 303 A HN 0.389 nan 8.150 nan 0.000 0.450 304 L N -1.020 120.176 121.223 -0.044 0.000 2.083 304 L HA -0.156 4.185 4.340 0.002 0.000 0.209 304 L C 2.712 179.569 176.870 -0.021 0.000 1.083 304 L CA 0.922 55.742 54.840 -0.033 0.000 0.752 304 L CB -0.451 41.587 42.059 -0.036 0.000 0.899 304 L HN 0.447 nan 8.230 nan 0.000 0.433 305 A N -0.016 122.793 122.820 -0.018 0.000 2.261 305 A HA 0.232 4.553 4.320 0.002 0.000 0.208 305 A C 1.720 179.305 177.584 0.002 0.000 1.223 305 A CA 0.635 52.668 52.037 -0.007 0.000 0.833 305 A CB -0.939 18.059 19.000 -0.004 0.000 0.830 305 A HN 0.534 nan 8.150 nan 0.000 0.483 306 G N -0.611 108.189 108.800 -0.000 0.000 2.258 306 G HA2 -0.292 3.670 3.960 0.002 0.000 0.274 306 G HA3 -0.292 3.670 3.960 0.002 0.000 0.274 306 G C 0.079 174.997 174.900 0.031 0.000 1.021 306 G CA 0.844 45.951 45.100 0.012 0.000 0.798 306 G HN 0.695 nan 8.290 nan 0.000 0.507 307 E N -1.534 118.684 120.200 0.031 0.000 2.302 307 E HA 0.634 4.986 4.350 0.002 0.000 0.255 307 E C -0.043 176.620 176.600 0.105 0.000 1.099 307 E CA -1.243 55.198 56.400 0.069 0.000 0.929 307 E CB 0.618 30.352 29.700 0.056 0.000 1.203 307 E HN 0.146 nan 8.360 nan 0.000 0.459 308 F N 1.547 121.494 119.950 -0.006 0.000 2.456 308 F HA 0.211 4.739 4.527 0.002 0.000 0.358 308 F C -0.700 175.082 175.800 -0.029 0.000 1.095 308 F CA -0.452 57.545 58.000 -0.004 0.000 1.216 308 F CB 0.593 39.608 39.000 0.026 0.000 1.125 308 F HN -0.005 nan 8.300 nan 0.000 0.549 309 V N 10.000 129.419 119.914 -0.824 0.000 2.294 309 V HA 0.199 4.321 4.120 0.002 0.000 0.272 309 V C -1.724 173.662 176.094 -1.181 0.000 1.027 309 V CA -1.156 60.679 62.300 -0.776 0.000 0.823 309 V CB 0.985 32.521 31.823 -0.479 0.000 1.030 309 V HN 0.695 nan 8.190 nan 0.000 0.457 310 P HA -0.037 nan 4.420 nan 0.000 0.221 310 P C 0.691 177.823 177.300 -0.279 0.000 1.150 310 P CA 0.903 63.698 63.100 -0.509 0.000 0.800 310 P CB 0.308 31.956 31.700 -0.087 0.000 0.787 311 D N -0.696 119.516 120.400 -0.315 0.000 2.325 311 D HA 0.173 4.814 4.640 0.002 0.000 0.234 311 D C 0.689 176.799 176.300 -0.317 0.000 1.122 311 D CA 0.030 53.905 54.000 -0.208 0.000 0.850 311 D CB -0.424 40.292 40.800 -0.139 0.000 0.921 311 D HN 0.069 nan 8.370 nan 0.000 0.513 312 A N 0.116 122.555 122.820 -0.635 0.000 2.555 312 A HA 0.101 4.423 4.320 0.002 0.000 0.233 312 A C 1.325 178.648 177.584 -0.435 0.000 1.060 312 A CA 0.046 51.675 52.037 -0.680 0.000 0.759 312 A CB 0.723 19.047 19.000 -1.127 0.000 0.995 312 A HN 0.090 nan 8.150 nan 0.000 0.506 313 V N 2.151 121.941 119.914 -0.207 0.000 3.645 313 V HA 0.129 4.250 4.120 0.002 0.000 0.275 313 V C 0.444 176.560 176.094 0.037 0.000 1.356 313 V CA 1.015 63.299 62.300 -0.027 0.000 1.051 313 V CB -0.961 30.846 31.823 -0.026 0.000 0.828 313 V HN 1.065 nan 8.190 nan 0.000 0.441 314 N N -1.190 117.498 118.700 -0.020 0.000 3.344 314 N HA 0.289 5.030 4.740 0.002 0.000 0.296 314 N C -1.500 174.030 175.510 0.033 0.000 1.571 314 N CA -0.478 52.594 53.050 0.037 0.000 0.844 314 N CB 2.073 40.568 38.487 0.013 0.000 1.718 314 N HN -0.223 nan 8.380 nan 0.000 0.589 315 V N -0.770 119.176 119.914 0.054 0.000 2.435 315 V HA 0.880 5.002 4.120 0.002 0.000 0.290 315 V C 0.196 176.305 176.094 0.025 0.000 1.030 315 V CA 0.043 62.379 62.300 0.060 0.000 0.881 315 V CB 0.807 32.683 31.823 0.089 0.000 0.983 315 V HN 1.026 nan 8.190 nan 0.000 0.445 316 G N 2.362 111.170 108.800 0.014 0.000 2.761 316 G HA2 0.679 4.640 3.960 0.002 0.000 0.296 316 G HA3 0.679 4.640 3.960 0.002 0.000 0.296 316 G C -0.313 174.591 174.900 0.005 0.000 1.416 316 G CA 0.555 45.658 45.100 0.004 0.000 1.105 316 G HN 1.422 nan 8.290 nan 0.000 0.565 317 G N 0.362 109.168 108.800 0.011 0.000 2.416 317 G HA2 0.361 4.322 3.960 0.002 0.000 0.203 317 G HA3 0.361 4.322 3.960 0.002 0.000 0.203 317 G C 1.115 176.029 174.900 0.024 0.000 1.227 317 G CA 0.473 45.581 45.100 0.013 0.000 1.041 317 G HN 1.893 nan 8.290 nan 0.000 0.546 318 G N -0.522 108.294 108.800 0.026 0.000 2.679 318 G HA2 0.300 4.261 3.960 0.002 0.000 0.212 318 G HA3 0.300 4.261 3.960 0.002 0.000 0.212 318 G C 1.749 176.675 174.900 0.045 0.000 1.137 318 G CA 1.774 46.893 45.100 0.032 0.000 0.787 318 G HN 1.713 nan 8.290 nan 0.000 0.534 319 V N 0.163 120.109 119.914 0.053 0.000 2.909 319 V HA -0.030 4.091 4.120 0.002 0.000 0.265 319 V C 0.371 176.516 176.094 0.086 0.000 1.128 319 V CA 1.225 63.572 62.300 0.079 0.000 1.149 319 V CB -0.134 31.743 31.823 0.090 0.000 0.725 319 V HN 0.044 nan 8.190 nan 0.000 0.511 320 V N 1.088 121.044 119.914 0.070 0.000 2.655 320 V HA 0.295 4.417 4.120 0.002 0.000 0.301 320 V C 0.098 176.228 176.094 0.059 0.000 1.082 320 V CA -0.954 61.388 62.300 0.071 0.000 0.899 320 V CB 1.449 33.323 31.823 0.085 0.000 1.014 320 V HN 0.416 nan 8.190 nan 0.000 0.429 321 N N 2.665 121.397 118.700 0.053 0.000 2.265 321 N HA -0.053 4.688 4.740 0.002 0.000 0.231 321 N C 1.042 176.590 175.510 0.063 0.000 1.266 321 N CA 0.500 53.580 53.050 0.050 0.000 0.862 321 N CB 0.921 39.433 38.487 0.043 0.000 1.100 321 N HN 0.842 nan 8.380 nan 0.000 0.439 322 E N 0.628 120.863 120.200 0.058 0.000 2.347 322 E HA -0.119 4.232 4.350 0.002 0.000 0.196 322 E C 0.761 177.415 176.600 0.090 0.000 1.008 322 E CA 0.620 57.058 56.400 0.064 0.000 0.852 322 E CB 0.309 30.038 29.700 0.049 0.000 0.783 322 E HN 0.500 nan 8.360 nan 0.000 0.505 323 E N -0.159 120.100 120.200 0.098 0.000 2.158 323 E HA -0.086 4.266 4.350 0.002 0.000 0.191 323 E C 2.090 178.830 176.600 0.233 0.000 0.982 323 E CA 0.584 57.068 56.400 0.140 0.000 0.823 323 E CB 0.232 29.989 29.700 0.095 0.000 0.766 323 E HN 0.148 nan 8.360 nan 0.000 0.468 324 V N 1.320 121.339 119.914 0.176 0.000 2.599 324 V HA -0.058 4.063 4.120 0.002 0.000 0.245 324 V C 2.393 178.650 176.094 0.272 0.000 1.046 324 V CA 1.095 63.520 62.300 0.209 0.000 1.065 324 V CB -0.656 31.216 31.823 0.081 0.000 0.703 324 V HN 0.164 nan 8.190 nan 0.000 0.464 325 A N 1.777 124.699 122.820 0.170 0.000 1.893 325 A HA -0.250 4.072 4.320 0.002 0.000 0.222 325 A C 0.675 178.330 177.584 0.119 0.000 1.309 325 A CA 2.760 54.873 52.037 0.126 0.000 0.681 325 A CB -2.286 16.763 19.000 0.083 0.000 0.842 325 A HN 0.570 nan 8.150 nan 0.000 0.468 326 P HA -0.134 nan 4.420 nan 0.000 0.228 326 P C 0.647 177.894 177.300 -0.089 0.000 1.151 326 P CA 1.088 64.163 63.100 -0.040 0.000 0.770 326 P CB -0.317 31.309 31.700 -0.123 0.000 0.786 327 W N -0.810 120.490 121.300 0.001 0.000 2.678 327 W HA 0.037 4.699 4.660 0.002 0.000 0.256 327 W C 1.920 178.440 176.519 0.001 0.000 1.280 327 W CA -0.184 57.159 57.345 -0.003 0.000 1.345 327 W CB -0.889 28.570 29.460 -0.000 0.000 1.118 327 W HN -0.153 nan 8.180 nan 0.000 0.629 328 L N 0.237 121.578 121.223 0.196 0.000 2.012 328 L HA -0.255 4.086 4.340 0.002 0.000 0.210 328 L C 1.982 178.904 176.870 0.086 0.000 1.073 328 L CA 2.069 56.986 54.840 0.128 0.000 0.748 328 L CB -1.537 40.583 42.059 0.101 0.000 0.891 328 L HN -0.046 nan 8.230 nan 0.000 0.431 329 D N -1.241 119.188 120.400 0.048 0.000 2.183 329 D HA -0.156 4.485 4.640 0.002 0.000 0.203 329 D C 2.129 178.435 176.300 0.011 0.000 0.969 329 D CA 0.529 54.541 54.000 0.020 0.000 0.842 329 D CB 0.144 40.938 40.800 -0.009 0.000 0.957 329 D HN 0.175 nan 8.370 nan 0.000 0.484 330 L N -0.357 120.868 121.223 0.004 0.000 2.095 330 L HA 0.002 4.344 4.340 0.002 0.000 0.204 330 L C 2.046 178.948 176.870 0.054 0.000 1.080 330 L CA 1.203 56.037 54.840 -0.009 0.000 0.759 330 L CB -0.464 41.547 42.059 -0.080 0.000 0.914 330 L HN -0.062 nan 8.230 nan 0.000 0.439 331 V N 0.280 120.258 119.914 0.107 0.000 2.343 331 V HA -0.262 3.860 4.120 0.002 0.000 0.247 331 V C 2.789 178.923 176.094 0.067 0.000 1.051 331 V CA 1.977 64.340 62.300 0.105 0.000 1.036 331 V CB -0.813 31.085 31.823 0.125 0.000 0.654 331 V HN 0.541 nan 8.190 nan 0.000 0.451 332 R N 0.542 121.076 120.500 0.058 0.000 2.133 332 R HA -0.271 4.070 4.340 0.002 0.000 0.245 332 R C 2.360 178.682 176.300 0.038 0.000 1.137 332 R CA 2.268 58.395 56.100 0.045 0.000 0.947 332 R CB -0.248 30.076 30.300 0.039 0.000 0.865 332 R HN 0.486 nan 8.270 nan 0.000 0.437 333 K N 0.133 120.552 120.400 0.032 0.000 2.209 333 K HA -0.106 4.216 4.320 0.002 0.000 0.204 333 K C 2.109 178.729 176.600 0.034 0.000 1.048 333 K CA 1.231 57.533 56.287 0.026 0.000 0.940 333 K CB -0.074 32.435 32.500 0.015 0.000 0.729 333 K HN 0.261 nan 8.250 nan 0.000 0.451 334 L N -0.003 121.245 121.223 0.042 0.000 2.056 334 L HA -0.098 4.243 4.340 0.002 0.000 0.207 334 L C 2.587 179.479 176.870 0.038 0.000 1.078 334 L CA 1.361 56.228 54.840 0.046 0.000 0.749 334 L CB -0.959 41.134 42.059 0.056 0.000 0.901 334 L HN 0.318 nan 8.230 nan 0.000 0.433 335 G N -0.077 108.744 108.800 0.036 0.000 2.440 335 G HA2 -0.213 3.748 3.960 0.002 0.000 0.218 335 G HA3 -0.213 3.748 3.960 0.002 0.000 0.218 335 G C 1.609 176.518 174.900 0.015 0.000 1.154 335 G CA 1.001 46.118 45.100 0.027 0.000 0.767 335 G HN 0.176 nan 8.290 nan 0.000 0.552 336 V N 0.424 120.351 119.914 0.022 0.000 2.295 336 V HA -0.118 4.003 4.120 0.002 0.000 0.246 336 V C 2.766 178.870 176.094 0.016 0.000 1.049 336 V CA 1.411 63.721 62.300 0.018 0.000 1.024 336 V CB -0.428 31.407 31.823 0.021 0.000 0.648 336 V HN 0.261 nan 8.190 nan 0.000 0.447 337 L N 0.288 121.525 121.223 0.024 0.000 2.056 337 L HA -0.012 4.330 4.340 0.002 0.000 0.207 337 L C 2.524 179.408 176.870 0.023 0.000 1.078 337 L CA 2.185 57.042 54.840 0.030 0.000 0.749 337 L CB -1.318 40.770 42.059 0.048 0.000 0.901 337 L HN 0.283 nan 8.230 nan 0.000 0.433 338 A N -0.851 121.980 122.820 0.020 0.000 1.902 338 A HA -0.090 4.231 4.320 0.002 0.000 0.217 338 A C 2.377 179.952 177.584 -0.015 0.000 1.181 338 A CA 1.563 53.606 52.037 0.010 0.000 0.623 338 A CB -1.330 17.677 19.000 0.011 0.000 0.818 338 A HN 0.454 nan 8.150 nan 0.000 0.443 339 G N -0.538 108.245 108.800 -0.029 0.000 2.440 339 G HA2 -0.141 3.821 3.960 0.002 0.000 0.218 339 G HA3 -0.141 3.821 3.960 0.002 0.000 0.218 339 G C 1.498 176.369 174.900 -0.048 0.000 1.154 339 G CA 1.327 46.393 45.100 -0.057 0.000 0.767 339 G HN 0.334 nan 8.290 nan 0.000 0.552 340 V N 0.868 120.769 119.914 -0.021 0.000 2.427 340 V HA -0.036 4.085 4.120 0.002 0.000 0.248 340 V C 2.702 178.769 176.094 -0.044 0.000 1.051 340 V CA 1.177 63.463 62.300 -0.024 0.000 1.048 340 V CB -0.300 31.519 31.823 -0.006 0.000 0.666 340 V HN 0.329 nan 8.190 nan 0.000 0.456 341 L N -0.415 120.790 121.223 -0.031 0.000 2.610 341 L HA 0.059 4.400 4.340 0.002 0.000 0.232 341 L C 0.965 177.807 176.870 -0.047 0.000 1.149 341 L CA 0.198 55.012 54.840 -0.043 0.000 0.872 341 L CB -0.267 41.804 42.059 0.020 0.000 0.992 341 L HN 0.156 nan 8.230 nan 0.000 0.447 342 S N -0.206 115.465 115.700 -0.048 0.000 2.537 342 S HA 0.073 4.545 4.470 0.002 0.000 0.275 342 S C 0.567 175.130 174.600 -0.062 0.000 1.272 342 S CA -0.772 57.400 58.200 -0.048 0.000 1.050 342 S CB 1.433 64.596 63.200 -0.061 0.000 0.961 342 S HN 0.143 nan 8.310 nan 0.000 0.496 343 D N 1.845 122.218 120.400 -0.045 0.000 2.104 343 D HA -0.071 4.571 4.640 0.002 0.000 0.194 343 D C 1.097 177.359 176.300 -0.063 0.000 0.994 343 D CA 1.388 55.362 54.000 -0.043 0.000 0.830 343 D CB 0.202 40.990 40.800 -0.020 0.000 0.959 343 D HN 0.779 nan 8.370 nan 0.000 0.452 344 E N -0.349 119.808 120.200 -0.072 0.000 2.423 344 E HA 0.169 4.521 4.350 0.002 0.000 0.269 344 E C -0.397 176.127 176.600 -0.128 0.000 0.948 344 E CA -0.829 55.509 56.400 -0.104 0.000 0.802 344 E CB 1.335 30.987 29.700 -0.079 0.000 1.339 344 E HN -0.081 nan 8.360 nan 0.000 0.445 345 L N 2.474 123.591 121.223 -0.177 0.000 2.601 345 L HA 0.069 4.410 4.340 0.002 0.000 0.277 345 L C -1.802 175.004 176.870 -0.108 0.000 1.219 345 L CA -0.633 54.089 54.840 -0.196 0.000 0.915 345 L CB 0.186 42.126 42.059 -0.198 0.000 1.160 345 L HN 0.449 nan 8.230 nan 0.000 0.494 346 P HA 0.023 nan 4.420 nan 0.000 0.272 346 P C 0.767 178.065 177.300 -0.005 0.000 1.223 346 P CA -0.375 62.700 63.100 -0.042 0.000 0.784 346 P CB 0.885 32.563 31.700 -0.036 0.000 0.923 347 V N -0.567 119.353 119.914 0.011 0.000 2.591 347 V HA 0.006 4.127 4.120 0.002 0.000 0.249 347 V C 1.047 177.172 176.094 0.051 0.000 1.053 347 V CA 1.407 63.728 62.300 0.035 0.000 1.068 347 V CB -1.297 30.541 31.823 0.024 0.000 0.689 347 V HN 0.747 nan 8.190 nan 0.000 0.462 348 S N -0.607 115.116 115.700 0.038 0.000 2.588 348 S HA 0.768 5.239 4.470 0.002 0.000 0.275 348 S C -1.168 173.453 174.600 0.035 0.000 1.130 348 S CA -0.808 57.419 58.200 0.044 0.000 0.855 348 S CB 2.175 65.393 63.200 0.030 0.000 1.116 348 S HN 0.198 nan 8.310 nan 0.000 0.472 349 L N 1.757 123.006 121.223 0.043 0.000 2.305 349 L HA 0.553 4.894 4.340 0.002 0.000 0.284 349 L C -0.074 176.809 176.870 0.021 0.000 1.013 349 L CA -0.605 54.254 54.840 0.031 0.000 0.819 349 L CB 1.920 44.005 42.059 0.042 0.000 1.227 349 L HN 0.729 nan 8.230 nan 0.000 0.417 350 S N 2.361 118.070 115.700 0.014 0.000 2.411 350 S HA 0.396 4.867 4.470 0.002 0.000 0.294 350 S C -0.177 174.427 174.600 0.006 0.000 1.115 350 S CA -0.496 57.708 58.200 0.008 0.000 1.071 350 S CB 0.693 63.896 63.200 0.006 0.000 0.967 350 S HN 0.288 nan 8.310 nan 0.000 0.488 351 V N 5.921 125.835 119.914 0.001 0.000 2.364 351 V HA 0.377 4.498 4.120 0.002 0.000 0.272 351 V C 0.202 176.287 176.094 -0.014 0.000 1.036 351 V CA -0.583 61.715 62.300 -0.002 0.000 0.880 351 V CB 1.147 32.969 31.823 -0.002 0.000 0.991 351 V HN 0.777 nan 8.190 nan 0.000 0.460 352 Q N 3.887 123.679 119.800 -0.013 0.000 2.325 352 Q HA 0.584 4.925 4.340 0.002 0.000 0.262 352 Q C -1.325 174.650 176.000 -0.042 0.000 0.968 352 Q CA -0.423 55.366 55.803 -0.023 0.000 0.877 352 Q CB 1.890 30.622 28.738 -0.010 0.000 1.253 352 Q HN 0.631 nan 8.270 nan 0.000 0.448 353 V N 5.568 125.441 119.914 -0.069 0.000 2.370 353 V HA 0.532 4.653 4.120 0.002 0.000 0.283 353 V C -0.205 175.827 176.094 -0.102 0.000 1.023 353 V CA -0.575 61.652 62.300 -0.121 0.000 0.857 353 V CB 1.205 32.933 31.823 -0.159 0.000 0.985 353 V HN 0.753 nan 8.190 nan 0.000 0.443 354 R N 3.174 123.615 120.500 -0.098 0.000 2.740 354 R HA 0.812 5.153 4.340 0.002 0.000 0.282 354 R C 0.452 176.715 176.300 -0.062 0.000 0.969 354 R CA 0.030 56.095 56.100 -0.058 0.000 0.918 354 R CB 2.135 32.425 30.300 -0.016 0.000 1.175 354 R HN 0.995 nan 8.270 nan 0.000 0.464 355 G N 1.693 110.468 108.800 -0.041 0.000 2.475 355 G HA2 -0.285 3.676 3.960 0.002 0.000 0.223 355 G HA3 -0.285 3.676 3.960 0.002 0.000 0.223 355 G C 0.553 175.430 174.900 -0.038 0.000 1.201 355 G CA 0.020 45.106 45.100 -0.022 0.000 0.962 355 G HN 0.602 nan 8.290 nan 0.000 0.586 356 E N -0.211 119.977 120.200 -0.020 0.000 2.077 356 E HA -0.069 4.282 4.350 0.002 0.000 0.193 356 E C 2.609 179.168 176.600 -0.067 0.000 0.989 356 E CA 1.259 57.647 56.400 -0.020 0.000 0.800 356 E CB -0.077 29.636 29.700 0.022 0.000 0.746 356 E HN 0.344 nan 8.360 nan 0.000 0.452 357 L N 1.093 122.230 121.223 -0.142 0.000 2.189 357 L HA -0.143 4.198 4.340 0.002 0.000 0.214 357 L C 2.085 178.829 176.870 -0.209 0.000 1.097 357 L CA 1.677 56.354 54.840 -0.271 0.000 0.764 357 L CB -0.572 41.121 42.059 -0.610 0.000 0.900 357 L HN 0.031 nan 8.230 nan 0.000 0.436 358 A N -1.060 121.669 122.820 -0.153 0.000 2.172 358 A HA 0.088 4.409 4.320 0.002 0.000 0.216 358 A C 2.272 179.806 177.584 -0.082 0.000 1.154 358 A CA 1.144 53.113 52.037 -0.114 0.000 0.701 358 A CB -0.770 18.180 19.000 -0.083 0.000 0.789 358 A HN 0.503 nan 8.150 nan 0.000 0.465 359 A N -0.788 121.989 122.820 -0.072 0.000 2.208 359 A HA 0.193 4.514 4.320 0.002 0.000 0.209 359 A C 0.863 178.419 177.584 -0.048 0.000 1.161 359 A CA 0.164 52.173 52.037 -0.048 0.000 0.782 359 A CB -0.008 18.973 19.000 -0.032 0.000 0.816 359 A HN 0.396 nan 8.150 nan 0.000 0.477 360 E N 0.170 120.329 120.200 -0.069 0.000 2.292 360 E HA 0.331 4.682 4.350 0.002 0.000 0.258 360 E C -0.489 176.078 176.600 -0.054 0.000 1.115 360 E CA -0.484 55.882 56.400 -0.057 0.000 0.929 360 E CB 0.497 30.152 29.700 -0.076 0.000 1.161 360 E HN 0.272 nan 8.360 nan 0.000 0.453 361 E N 0.571 120.750 120.200 -0.035 0.000 2.089 361 E HA 0.186 4.537 4.350 0.002 0.000 0.284 361 E C -0.218 176.364 176.600 -0.032 0.000 1.023 361 E CA -0.368 56.015 56.400 -0.030 0.000 0.819 361 E CB 0.306 29.999 29.700 -0.012 0.000 1.076 361 E HN 0.261 nan 8.360 nan 0.000 0.396 362 V N 1.610 121.496 119.914 -0.046 0.000 3.166 362 V HA 0.322 4.444 4.120 0.002 0.000 0.332 362 V C 1.048 177.118 176.094 -0.039 0.000 1.434 362 V CA -0.361 61.908 62.300 -0.053 0.000 1.121 362 V CB 0.415 32.179 31.823 -0.100 0.000 1.062 362 V HN 0.452 nan 8.190 nan 0.000 0.489 363 E N 2.049 122.228 120.200 -0.034 0.000 2.085 363 E HA -0.168 4.184 4.350 0.002 0.000 0.194 363 E C 2.459 179.043 176.600 -0.027 0.000 0.994 363 E CA 1.990 58.366 56.400 -0.040 0.000 0.801 363 E CB -0.242 29.423 29.700 -0.059 0.000 0.743 363 E HN 0.793 nan 8.360 nan 0.000 0.453 364 V N -0.408 119.510 119.914 0.007 0.000 2.527 364 V HA -0.261 3.860 4.120 0.002 0.000 0.255 364 V C 2.336 178.435 176.094 0.007 0.000 1.081 364 V CA 1.493 63.810 62.300 0.028 0.000 1.092 364 V CB -0.990 30.887 31.823 0.090 0.000 0.673 364 V HN 0.124 nan 8.190 nan 0.000 0.470 365 L N 0.090 121.317 121.223 0.008 0.000 2.093 365 L HA -0.099 4.242 4.340 0.002 0.000 0.208 365 L C 2.983 179.853 176.870 0.001 0.000 1.085 365 L CA 2.129 56.980 54.840 0.017 0.000 0.755 365 L CB -0.747 41.318 42.059 0.009 0.000 0.904 365 L HN 0.357 nan 8.230 nan 0.000 0.435 366 R N 1.150 121.639 120.500 -0.019 0.000 2.117 366 R HA -0.200 4.141 4.340 0.002 0.000 0.243 366 R C 2.176 178.454 176.300 -0.036 0.000 1.143 366 R CA 1.593 57.679 56.100 -0.023 0.000 0.968 366 R CB -0.321 29.959 30.300 -0.035 0.000 0.863 366 R HN 0.351 nan 8.270 nan 0.000 0.444 367 L N 0.151 121.329 121.223 -0.075 0.000 2.109 367 L HA -0.061 4.281 4.340 0.002 0.000 0.207 367 L C 2.563 179.387 176.870 -0.075 0.000 1.086 367 L CA 1.033 55.791 54.840 -0.136 0.000 0.760 367 L CB -0.359 41.520 42.059 -0.300 0.000 0.910 367 L HN 0.182 nan 8.230 nan 0.000 0.437 368 S N 0.309 115.993 115.700 -0.026 0.000 2.356 368 S HA -0.184 4.287 4.470 0.002 0.000 0.223 368 S C 2.281 176.901 174.600 0.033 0.000 1.032 368 S CA 1.301 59.510 58.200 0.016 0.000 1.005 368 S CB -0.312 62.916 63.200 0.045 0.000 0.867 368 S HN 0.490 nan 8.310 nan 0.000 0.449 369 A N 1.506 124.347 122.820 0.034 0.000 1.892 369 A HA -0.104 4.217 4.320 0.002 0.000 0.218 369 A C 2.145 179.772 177.584 0.071 0.000 1.188 369 A CA 1.421 53.486 52.037 0.047 0.000 0.631 369 A CB -0.884 18.139 19.000 0.039 0.000 0.822 369 A HN 0.458 nan 8.150 nan 0.000 0.447 370 L N -1.298 119.973 121.223 0.081 0.000 2.042 370 L HA -0.198 4.144 4.340 0.002 0.000 0.210 370 L C 2.892 179.891 176.870 0.216 0.000 1.076 370 L CA 1.560 56.505 54.840 0.174 0.000 0.749 370 L CB -0.480 41.638 42.059 0.098 0.000 0.893 370 L HN 0.400 nan 8.230 nan 0.000 0.432 371 R N 0.198 120.757 120.500 0.098 0.000 2.105 371 R HA -0.151 4.190 4.340 0.002 0.000 0.239 371 R C 2.107 178.467 176.300 0.100 0.000 1.135 371 R CA 1.626 57.779 56.100 0.088 0.000 0.967 371 R CB -0.508 29.816 30.300 0.040 0.000 0.861 371 R HN 0.455 nan 8.270 nan 0.000 0.442 372 G N 0.964 109.811 108.800 0.079 0.000 2.394 372 G HA2 -0.235 3.726 3.960 0.002 0.000 0.214 372 G HA3 -0.235 3.726 3.960 0.002 0.000 0.214 372 G C 1.372 176.298 174.900 0.044 0.000 1.176 372 G CA 0.346 45.478 45.100 0.053 0.000 0.786 372 G HN 0.305 nan 8.290 nan 0.000 0.533 373 L N -0.405 120.845 121.223 0.045 0.000 2.081 373 L HA 0.095 4.436 4.340 0.002 0.000 0.212 373 L C 1.673 178.451 176.870 -0.153 0.000 1.080 373 L CA 1.521 56.321 54.840 -0.067 0.000 0.754 373 L CB -0.420 41.557 42.059 -0.135 0.000 0.893 373 L HN 0.199 nan 8.230 nan 0.000 0.433 374 F N -1.273 118.689 119.950 0.021 0.000 2.647 374 F HA 0.157 4.685 4.527 0.002 0.000 0.300 374 F C 2.109 177.796 175.800 -0.188 0.000 1.106 374 F CA 0.393 58.351 58.000 -0.070 0.000 1.313 374 F CB -0.337 38.639 39.000 -0.041 0.000 1.007 374 F HN 0.136 nan 8.300 nan 0.000 0.536 375 S N -0.474 115.220 115.700 -0.010 0.000 2.515 375 S HA -0.049 4.422 4.470 0.002 0.000 0.231 375 S C 2.147 176.682 174.600 -0.108 0.000 0.987 375 S CA 0.635 58.816 58.200 -0.031 0.000 0.936 375 S CB -0.287 62.913 63.200 0.001 0.000 0.766 375 S HN 0.255 nan 8.310 nan 0.000 0.528 376 A N 1.442 124.118 122.820 -0.240 0.000 2.121 376 A HA 0.200 4.522 4.320 0.002 0.000 0.218 376 A C 1.874 179.284 177.584 -0.291 0.000 1.154 376 A CA 1.186 53.063 52.037 -0.267 0.000 0.679 376 A CB -0.539 18.281 19.000 -0.299 0.000 0.795 376 A HN 1.229 nan 8.150 nan 0.000 0.458 377 V N -3.493 116.225 119.914 -0.327 0.000 3.078 377 V HA 0.525 4.646 4.120 0.002 0.000 0.344 377 V C -0.165 175.883 176.094 -0.077 0.000 1.409 377 V CA -0.485 61.708 62.300 -0.178 0.000 1.146 377 V CB -0.672 31.044 31.823 -0.178 0.000 1.126 377 V HN 0.244 nan 8.190 nan 0.000 0.513 378 I N 0.721 121.257 120.570 -0.056 0.000 2.530 378 I HA 0.558 4.729 4.170 0.002 0.000 0.297 378 I C -0.068 176.043 176.117 -0.010 0.000 1.011 378 I CA -0.596 60.694 61.300 -0.017 0.000 1.107 378 I CB 2.392 40.395 38.000 0.006 0.000 1.285 378 I HN 0.149 nan 8.210 nan 0.000 0.436 379 E N 3.332 123.533 120.200 0.002 0.000 2.301 379 E HA 0.057 4.408 4.350 0.002 0.000 0.275 379 E C 0.191 176.799 176.600 0.013 0.000 1.030 379 E CA -0.393 56.012 56.400 0.007 0.000 0.852 379 E CB 1.163 30.870 29.700 0.012 0.000 1.060 379 E HN 0.450 nan 8.360 nan 0.000 0.401 380 D N 2.536 122.943 120.400 0.012 0.000 2.127 380 D HA -0.278 4.363 4.640 0.002 0.000 0.190 380 D C 1.722 178.034 176.300 0.019 0.000 1.000 380 D CA 1.899 55.908 54.000 0.014 0.000 0.839 380 D CB -0.201 40.606 40.800 0.012 0.000 0.955 380 D HN 0.576 nan 8.370 nan 0.000 0.446 381 A N 0.828 123.659 122.820 0.018 0.000 1.958 381 A HA -0.150 4.171 4.320 0.002 0.000 0.221 381 A C 1.314 178.915 177.584 0.029 0.000 1.178 381 A CA 0.926 52.975 52.037 0.019 0.000 0.642 381 A CB -0.544 18.464 19.000 0.013 0.000 0.816 381 A HN 0.158 nan 8.150 nan 0.000 0.453 382 V N 0.047 119.982 119.914 0.035 0.000 2.508 382 V HA 0.228 4.350 4.120 0.002 0.000 0.281 382 V C 1.187 177.324 176.094 0.072 0.000 1.041 382 V CA 0.716 63.050 62.300 0.057 0.000 1.016 382 V CB 0.964 32.821 31.823 0.056 0.000 0.984 382 V HN 0.389 nan 8.190 nan 0.000 0.478 383 T N 3.522 118.140 114.554 0.106 0.000 2.978 383 T HA 0.242 4.594 4.350 0.002 0.000 0.248 383 T C 0.117 174.909 174.700 0.153 0.000 1.018 383 T CA 0.218 62.385 62.100 0.111 0.000 1.026 383 T CB 0.071 69.005 68.868 0.110 0.000 1.032 383 T HN 0.453 nan 8.240 nan 0.000 0.485 384 F N 3.301 123.265 119.950 0.023 0.000 2.425 384 F HA 0.604 5.132 4.527 0.002 0.000 0.331 384 F C -0.531 175.282 175.800 0.023 0.000 1.085 384 F CA -1.180 56.839 58.000 0.032 0.000 1.028 384 F CB 1.115 40.129 39.000 0.023 0.000 1.177 384 F HN -0.119 nan 8.300 nan 0.000 0.487 385 V N 2.184 121.916 119.914 -0.303 0.000 2.914 385 V HA 0.466 4.587 4.120 0.002 0.000 0.314 385 V C -0.740 175.230 176.094 -0.207 0.000 1.084 385 V CA -1.180 61.056 62.300 -0.106 0.000 0.963 385 V CB 1.563 33.322 31.823 -0.106 0.000 1.025 385 V HN 0.797 nan 8.190 nan 0.000 0.432 386 N N 1.822 120.566 118.700 0.073 0.000 2.421 386 N HA 0.331 5.073 4.740 0.002 0.000 0.260 386 N C 1.024 176.535 175.510 0.002 0.000 1.173 386 N CA 0.580 53.710 53.050 0.133 0.000 0.960 386 N CB 1.217 39.796 38.487 0.154 0.000 1.273 386 N HN 0.975 nan 8.380 nan 0.000 0.497 387 A N 6.366 129.166 122.820 -0.034 0.000 1.859 387 A HA -0.087 4.234 4.320 0.002 0.000 0.217 387 A C -0.429 177.140 177.584 -0.026 0.000 1.198 387 A CA 1.306 53.309 52.037 -0.057 0.000 0.629 387 A CB -1.373 17.590 19.000 -0.061 0.000 0.830 387 A HN 0.554 nan 8.150 nan 0.000 0.446 388 P HA -0.170 nan 4.420 nan 0.000 0.216 388 P C 1.667 178.969 177.300 0.003 0.000 1.150 388 P CA 2.087 65.198 63.100 0.019 0.000 0.843 388 P CB -0.114 31.619 31.700 0.055 0.000 0.787 389 A N -0.817 122.005 122.820 0.003 0.000 1.897 389 A HA -0.130 4.191 4.320 0.002 0.000 0.215 389 A C 2.125 179.670 177.584 -0.065 0.000 1.181 389 A CA 1.360 53.386 52.037 -0.019 0.000 0.620 389 A CB -1.584 17.411 19.000 -0.007 0.000 0.821 389 A HN 0.205 nan 8.150 nan 0.000 0.443 390 L N -0.234 120.925 121.223 -0.106 0.000 2.083 390 L HA -0.009 4.332 4.340 0.002 0.000 0.209 390 L C 2.531 179.306 176.870 -0.158 0.000 1.083 390 L CA 2.177 56.894 54.840 -0.204 0.000 0.752 390 L CB -0.656 41.214 42.059 -0.317 0.000 0.899 390 L HN 0.307 nan 8.230 nan 0.000 0.433 391 A N 0.037 122.803 122.820 -0.090 0.000 1.865 391 A HA -0.151 4.171 4.320 0.002 0.000 0.217 391 A C 2.492 180.060 177.584 -0.028 0.000 1.191 391 A CA 2.140 54.153 52.037 -0.041 0.000 0.623 391 A CB -1.360 17.629 19.000 -0.018 0.000 0.826 391 A HN 0.625 nan 8.150 nan 0.000 0.444 392 A N -0.568 122.236 122.820 -0.027 0.000 1.930 392 A HA -0.164 4.157 4.320 0.002 0.000 0.217 392 A C 2.092 179.663 177.584 -0.022 0.000 1.175 392 A CA 1.811 53.839 52.037 -0.016 0.000 0.627 392 A CB -0.481 18.513 19.000 -0.010 0.000 0.815 392 A HN 0.716 nan 8.150 nan 0.000 0.443 393 E N -0.729 119.446 120.200 -0.041 0.000 2.076 393 E HA -0.105 4.246 4.350 0.002 0.000 0.190 393 E C 1.949 178.531 176.600 -0.030 0.000 0.979 393 E CA 0.871 57.245 56.400 -0.043 0.000 0.807 393 E CB -0.010 29.651 29.700 -0.064 0.000 0.761 393 E HN 0.564 nan 8.360 nan 0.000 0.454 394 R N -1.854 118.622 120.500 -0.040 0.000 2.394 394 R HA 0.179 4.520 4.340 0.002 0.000 0.220 394 R C 0.844 177.176 176.300 0.055 0.000 0.887 394 R CA 0.542 56.646 56.100 0.007 0.000 1.034 394 R CB 1.445 31.726 30.300 -0.032 0.000 1.179 394 R HN 0.310 nan 8.270 nan 0.000 0.561 395 G N 0.957 109.775 108.800 0.031 0.000 2.159 395 G HA2 -0.209 3.753 3.960 0.002 0.000 0.227 395 G HA3 -0.209 3.753 3.960 0.002 0.000 0.227 395 G C -0.139 174.805 174.900 0.074 0.000 0.986 395 G CA -0.125 45.004 45.100 0.048 0.000 0.651 395 G HN 0.086 nan 8.290 nan 0.000 0.523 396 V N 1.842 121.819 119.914 0.104 0.000 2.495 396 V HA 0.808 4.929 4.120 0.002 0.000 0.298 396 V C 0.711 176.865 176.094 0.099 0.000 1.031 396 V CA 0.136 62.530 62.300 0.157 0.000 0.871 396 V CB 1.605 33.665 31.823 0.395 0.000 0.988 396 V HN 0.730 nan 8.190 nan 0.000 0.432 397 T N 1.462 116.063 114.554 0.080 0.000 2.919 397 T HA 0.940 5.291 4.350 0.002 0.000 0.282 397 T C -0.315 174.419 174.700 0.056 0.000 1.020 397 T CA -0.587 61.541 62.100 0.048 0.000 0.994 397 T CB 2.184 71.067 68.868 0.025 0.000 1.180 397 T HN 1.122 nan 8.240 nan 0.000 0.566 398 A N 0.692 123.529 122.820 0.029 0.000 2.475 398 A HA 0.794 5.115 4.320 0.002 0.000 0.301 398 A C -0.686 176.898 177.584 0.001 0.000 1.059 398 A CA -1.030 51.019 52.037 0.020 0.000 0.710 398 A CB 1.339 20.349 19.000 0.016 0.000 1.288 398 A HN 1.048 nan 8.150 nan 0.000 0.408 399 E N 1.206 121.406 120.200 -0.001 0.000 2.410 399 E HA 0.787 5.139 4.350 0.002 0.000 0.269 399 E C -1.362 175.229 176.600 -0.015 0.000 0.937 399 E CA -0.851 55.542 56.400 -0.012 0.000 0.793 399 E CB 1.786 31.480 29.700 -0.010 0.000 1.314 399 E HN 0.360 nan 8.360 nan 0.000 0.447 400 I N 0.980 121.535 120.570 -0.024 0.000 2.545 400 I HA 0.367 4.539 4.170 0.002 0.000 0.292 400 I C -0.892 175.207 176.117 -0.029 0.000 1.040 400 I CA -0.753 60.530 61.300 -0.029 0.000 1.068 400 I CB 1.633 39.610 38.000 -0.038 0.000 1.251 400 I HN 0.745 nan 8.210 nan 0.000 0.424 401 C N 5.526 124.808 119.300 -0.030 0.000 2.561 401 C HA 0.549 5.010 4.460 0.002 0.000 0.319 401 C C 0.070 175.037 174.990 -0.038 0.000 1.198 401 C CA -1.018 57.982 59.018 -0.029 0.000 1.665 401 C CB 2.038 29.765 27.740 -0.021 0.000 2.258 401 C HN 0.645 nan 8.230 nan 0.000 0.493 402 K N 1.232 121.609 120.400 -0.038 0.000 2.221 402 K HA 0.858 5.179 4.320 0.002 0.000 0.243 402 K C -0.774 175.805 176.600 -0.035 0.000 0.968 402 K CA -0.316 55.943 56.287 -0.046 0.000 0.846 402 K CB 2.121 34.591 32.500 -0.050 0.000 1.141 402 K HN 0.827 nan 8.250 nan 0.000 0.434 403 A N 0.810 123.607 122.820 -0.038 0.000 2.437 403 A HA 0.331 4.652 4.320 0.002 0.000 0.293 403 A C 0.467 178.033 177.584 -0.030 0.000 1.038 403 A CA -0.727 51.293 52.037 -0.027 0.000 0.708 403 A CB 1.291 20.279 19.000 -0.019 0.000 1.251 403 A HN 0.641 nan 8.150 nan 0.000 0.409 404 S N 0.978 116.663 115.700 -0.025 0.000 2.372 404 S HA -0.171 4.300 4.470 0.002 0.000 0.227 404 S C 0.916 175.505 174.600 -0.017 0.000 1.044 404 S CA 1.809 59.996 58.200 -0.022 0.000 1.050 404 S CB -0.242 62.948 63.200 -0.017 0.000 0.901 404 S HN 0.820 nan 8.310 nan 0.000 0.447 405 E N 1.274 121.466 120.200 -0.012 0.000 2.313 405 E HA 0.323 4.675 4.350 0.002 0.000 0.276 405 E C -0.801 175.798 176.600 -0.002 0.000 1.031 405 E CA -0.206 56.190 56.400 -0.007 0.000 0.857 405 E CB 0.736 30.432 29.700 -0.007 0.000 1.040 405 E HN 0.170 nan 8.360 nan 0.000 0.408 406 S N 4.549 120.252 115.700 0.006 0.000 2.478 406 S HA 0.350 4.821 4.470 0.002 0.000 0.312 406 S C -1.701 172.905 174.600 0.011 0.000 1.094 406 S CA -1.672 56.542 58.200 0.023 0.000 1.081 406 S CB 1.228 64.457 63.200 0.047 0.000 1.007 406 S HN 0.467 nan 8.310 nan 0.000 0.475 407 P HA -0.071 nan 4.420 nan 0.000 0.215 407 P C 0.583 177.842 177.300 -0.069 0.000 1.153 407 P CA 1.381 64.465 63.100 -0.027 0.000 0.853 407 P CB 0.191 31.877 31.700 -0.023 0.000 0.788 408 N N -2.023 116.623 118.700 -0.088 0.000 3.166 408 N HA -0.021 4.720 4.740 0.002 0.000 0.242 408 N C 0.611 175.984 175.510 -0.227 0.000 1.017 408 N CA 0.238 53.155 53.050 -0.222 0.000 1.113 408 N CB -0.044 38.217 38.487 -0.377 0.000 1.629 408 N HN -0.028 nan 8.380 nan 0.000 0.601 409 H N 0.653 119.729 119.070 0.010 0.000 2.544 409 H HA 0.277 4.834 4.556 0.002 0.000 0.365 409 H C 0.696 176.054 175.328 0.051 0.000 1.268 409 H CA -0.144 55.929 56.048 0.041 0.000 1.400 409 H CB 1.112 30.936 29.762 0.103 0.000 1.538 409 H HN 0.206 nan 8.280 nan 0.000 0.597 410 R N 0.234 120.857 120.500 0.205 0.000 2.115 410 R HA 0.019 4.360 4.340 0.002 0.000 0.230 410 R C 0.013 176.387 176.300 0.123 0.000 1.111 410 R CA 0.869 57.045 56.100 0.127 0.000 0.976 410 R CB 0.258 30.628 30.300 0.116 0.000 0.870 410 R HN 0.295 nan 8.270 nan 0.000 0.445 411 S N -0.633 115.180 115.700 0.187 0.000 2.536 411 S HA 0.480 4.951 4.470 0.002 0.000 0.271 411 S C -1.571 173.144 174.600 0.192 0.000 1.134 411 S CA -0.710 57.560 58.200 0.117 0.000 0.897 411 S CB 2.769 66.032 63.200 0.105 0.000 1.094 411 S HN -0.037 nan 8.310 nan 0.000 0.473 412 V N 2.950 122.906 119.914 0.070 0.000 2.969 412 V HA 0.681 4.802 4.120 0.002 0.000 0.304 412 V C -1.532 174.567 176.094 0.008 0.000 1.192 412 V CA -0.443 61.933 62.300 0.127 0.000 0.962 412 V CB 2.178 34.091 31.823 0.151 0.000 1.045 412 V HN 0.686 nan 8.190 nan 0.000 0.428 413 V N 5.281 125.246 119.914 0.085 0.000 2.398 413 V HA 0.588 4.709 4.120 0.002 0.000 0.286 413 V C -0.703 175.427 176.094 0.059 0.000 1.026 413 V CA -0.559 61.760 62.300 0.032 0.000 0.868 413 V CB 1.812 33.679 31.823 0.072 0.000 0.982 413 V HN 0.892 nan 8.190 nan 0.000 0.443 414 D N 3.631 124.049 120.400 0.029 0.000 2.217 414 D HA 0.452 5.093 4.640 0.002 0.000 0.243 414 D C -0.712 175.603 176.300 0.026 0.000 1.054 414 D CA -0.232 53.787 54.000 0.031 0.000 0.838 414 D CB 2.637 43.452 40.800 0.025 0.000 1.162 414 D HN 0.222 nan 8.370 nan 0.000 0.472 415 V N 3.215 123.147 119.914 0.030 0.000 2.313 415 V HA 0.251 4.372 4.120 0.002 0.000 0.278 415 V C 0.352 176.459 176.094 0.022 0.000 1.017 415 V CA -0.656 61.660 62.300 0.026 0.000 0.823 415 V CB 0.966 32.809 31.823 0.033 0.000 1.010 415 V HN 0.274 nan 8.190 nan 0.000 0.443 416 R N 3.644 124.155 120.500 0.017 0.000 2.220 416 R HA 0.591 4.932 4.340 0.002 0.000 0.340 416 R C 0.215 176.522 176.300 0.013 0.000 1.076 416 R CA -0.097 56.012 56.100 0.015 0.000 0.920 416 R CB 1.057 31.364 30.300 0.012 0.000 1.062 416 R HN 0.786 nan 8.270 nan 0.000 0.469 417 A N 3.502 126.329 122.820 0.011 0.000 2.269 417 A HA 0.313 4.634 4.320 0.002 0.000 0.302 417 A C -0.080 177.505 177.584 0.003 0.000 1.266 417 A CA -0.614 51.425 52.037 0.004 0.000 0.894 417 A CB 0.789 19.784 19.000 -0.007 0.000 1.147 417 A HN 0.553 nan 8.150 nan 0.000 0.537 418 V N 2.747 122.663 119.914 0.004 0.000 2.472 418 V HA 0.863 4.984 4.120 0.002 0.000 0.290 418 V C 0.434 176.527 176.094 -0.001 0.000 1.037 418 V CA 0.272 62.574 62.300 0.003 0.000 0.908 418 V CB 1.203 33.030 31.823 0.007 0.000 0.985 418 V HN 1.084 nan 8.190 nan 0.000 0.454 419 G N 3.419 112.217 108.800 -0.003 0.000 2.412 419 G HA2 0.561 4.523 3.960 0.002 0.000 0.318 419 G HA3 0.561 4.523 3.960 0.002 0.000 0.318 419 G C 0.903 175.801 174.900 -0.003 0.000 1.146 419 G CA -0.267 44.828 45.100 -0.008 0.000 0.882 419 G HN 1.632 nan 8.290 nan 0.000 0.501 420 A N 0.869 123.687 122.820 -0.004 0.000 2.042 420 A HA -0.153 4.168 4.320 0.002 0.000 0.222 420 A C 1.880 179.463 177.584 -0.001 0.000 1.167 420 A CA 2.353 54.390 52.037 -0.001 0.000 0.649 420 A CB -0.253 18.745 19.000 -0.002 0.000 0.809 420 A HN 0.679 nan 8.150 nan 0.000 0.457 421 D N -3.047 117.351 120.400 -0.004 0.000 2.339 421 D HA 0.290 4.931 4.640 0.002 0.000 0.217 421 D C 1.193 177.492 176.300 -0.002 0.000 1.050 421 D CA 1.097 55.095 54.000 -0.003 0.000 0.856 421 D CB -0.357 40.440 40.800 -0.005 0.000 0.922 421 D HN 0.839 nan 8.370 nan 0.000 0.518 422 G N 0.376 109.175 108.800 -0.001 0.000 2.213 422 G HA2 -0.274 3.687 3.960 0.002 0.000 0.226 422 G HA3 -0.274 3.687 3.960 0.002 0.000 0.226 422 G C 0.441 175.343 174.900 0.002 0.000 0.992 422 G CA 0.301 45.402 45.100 0.001 0.000 0.632 422 G HN 0.811 nan 8.290 nan 0.000 0.511 423 S N -0.532 115.169 115.700 0.002 0.000 2.576 423 S HA 0.606 5.077 4.470 0.002 0.000 0.272 423 S C 0.104 174.708 174.600 0.007 0.000 1.352 423 S CA 0.288 58.491 58.200 0.005 0.000 1.021 423 S CB 2.221 65.424 63.200 0.005 0.000 0.887 423 S HN 1.243 nan 8.310 nan 0.000 0.542 424 V N 1.756 121.677 119.914 0.012 0.000 2.709 424 V HA 0.508 4.629 4.120 0.002 0.000 0.308 424 V C -0.602 175.504 176.094 0.021 0.000 1.062 424 V CA -0.839 61.469 62.300 0.013 0.000 0.901 424 V CB 2.014 33.844 31.823 0.013 0.000 1.003 424 V HN 0.849 nan 8.190 nan 0.000 0.425 425 V N 3.139 123.066 119.914 0.021 0.000 2.384 425 V HA 0.511 4.633 4.120 0.002 0.000 0.287 425 V C 0.121 176.232 176.094 0.028 0.000 1.020 425 V CA -0.132 62.186 62.300 0.031 0.000 0.850 425 V CB 2.079 33.919 31.823 0.029 0.000 0.987 425 V HN 0.984 nan 8.190 nan 0.000 0.436 426 T N 4.865 119.438 114.554 0.032 0.000 2.797 426 T HA 0.660 5.012 4.350 0.002 0.000 0.279 426 T C -0.579 174.140 174.700 0.032 0.000 0.991 426 T CA -0.347 61.769 62.100 0.025 0.000 0.979 426 T CB 1.567 70.445 68.868 0.016 0.000 0.943 426 T HN 0.341 nan 8.240 nan 0.000 0.444 427 V N 3.231 123.164 119.914 0.032 0.000 2.577 427 V HA 0.581 4.702 4.120 0.002 0.000 0.303 427 V C -0.388 175.722 176.094 0.028 0.000 1.042 427 V CA -0.806 61.517 62.300 0.038 0.000 0.872 427 V CB 2.210 34.066 31.823 0.055 0.000 0.998 427 V HN 0.994 nan 8.190 nan 0.000 0.423 428 S N 2.352 118.056 115.700 0.006 0.000 2.568 428 S HA 0.947 5.418 4.470 0.002 0.000 0.302 428 S C 0.091 174.694 174.600 0.006 0.000 1.082 428 S CA -0.600 57.611 58.200 0.017 0.000 1.009 428 S CB 2.151 65.365 63.200 0.023 0.000 1.069 428 S HN 1.142 nan 8.310 nan 0.000 0.500 429 G N 0.584 109.414 108.800 0.050 0.000 2.619 429 G HA2 0.718 4.680 3.960 0.002 0.000 0.296 429 G HA3 0.718 4.680 3.960 0.002 0.000 0.296 429 G C -1.144 173.806 174.900 0.084 0.000 1.334 429 G CA -0.735 44.380 45.100 0.026 0.000 0.934 429 G HN 0.717 nan 8.290 nan 0.000 0.476 430 T N -0.585 113.927 114.554 -0.070 0.000 2.916 430 T HA 0.700 5.051 4.350 0.002 0.000 0.292 430 T C -0.375 174.076 174.700 -0.415 0.000 1.064 430 T CA -0.733 61.309 62.100 -0.096 0.000 1.011 430 T CB 1.777 70.580 68.868 -0.107 0.000 1.152 430 T HN 0.407 nan 8.240 nan 0.000 0.510 431 L N 2.137 122.950 121.223 -0.683 0.000 2.309 431 L HA 0.746 5.087 4.340 0.002 0.000 0.282 431 L C -1.016 175.712 176.870 -0.236 0.000 1.036 431 L CA -1.126 53.340 54.840 -0.623 0.000 0.806 431 L CB 0.862 42.379 42.059 -0.904 0.000 1.220 431 L HN 0.837 nan 8.230 nan 0.000 0.429 432 Y N 0.497 120.703 120.300 -0.158 0.000 2.581 432 Y HA 0.863 5.415 4.550 0.002 0.000 0.337 432 Y C -0.133 175.739 175.900 -0.047 0.000 1.108 432 Y CA -1.013 57.052 58.100 -0.060 0.000 1.033 432 Y CB 1.220 39.680 38.460 -0.000 0.000 1.318 432 Y HN 0.845 nan 8.280 nan 0.000 0.459 433 G N 1.626 110.585 108.800 0.264 0.000 2.592 433 G HA2 -0.053 3.908 3.960 0.002 0.000 0.684 433 G HA3 -0.053 3.908 3.960 0.002 0.000 0.684 433 G C -2.221 172.725 174.900 0.076 0.000 1.291 433 G CA -0.511 44.703 45.100 0.190 0.000 0.891 433 G HN 0.698 nan 8.290 nan 0.000 0.544 434 P HA -0.130 nan 4.420 nan 0.000 0.216 434 P C 1.264 178.567 177.300 0.005 0.000 1.153 434 P CA 1.821 64.938 63.100 0.029 0.000 0.858 434 P CB 0.013 31.729 31.700 0.027 0.000 0.789 435 Q N -0.899 118.896 119.800 -0.009 0.000 2.403 435 Q HA 0.174 4.516 4.340 0.002 0.000 0.203 435 Q C 1.074 177.027 176.000 -0.078 0.000 0.932 435 Q CA -0.280 55.500 55.803 -0.038 0.000 0.945 435 Q CB -0.122 28.592 28.738 -0.040 0.000 1.045 435 Q HN 0.334 nan 8.270 nan 0.000 0.511 436 L N 2.397 123.568 121.223 -0.087 0.000 3.660 436 L HA -0.202 4.139 4.340 0.002 0.000 0.440 436 L C -0.166 176.559 176.870 -0.243 0.000 1.262 436 L CA 0.254 54.998 54.840 -0.161 0.000 0.837 436 L CB -1.974 39.993 42.059 -0.153 0.000 1.689 436 L HN 0.159 nan 8.230 nan 0.000 0.890 437 S N -0.892 114.651 115.700 -0.262 0.000 2.576 437 S HA 0.437 4.908 4.470 0.002 0.000 0.276 437 S C 0.103 174.472 174.600 -0.386 0.000 1.339 437 S CA -0.789 57.243 58.200 -0.280 0.000 1.039 437 S CB 1.451 64.508 63.200 -0.237 0.000 0.902 437 S HN 0.373 nan 8.310 nan 0.000 0.516 438 Q N 1.652 121.273 119.800 -0.299 0.000 2.279 438 Q HA 0.393 4.734 4.340 0.002 0.000 0.256 438 Q C -0.511 175.339 176.000 -0.250 0.000 0.937 438 Q CA -0.302 55.323 55.803 -0.298 0.000 0.933 438 Q CB 0.750 29.361 28.738 -0.211 0.000 1.189 438 Q HN 0.398 nan 8.270 nan 0.000 0.417 439 K N 2.787 123.027 120.400 -0.266 0.000 2.397 439 K HA 0.457 4.779 4.320 0.002 0.000 0.253 439 K C -0.681 175.863 176.600 -0.093 0.000 0.932 439 K CA -0.609 55.575 56.287 -0.171 0.000 0.795 439 K CB 1.924 34.291 32.500 -0.222 0.000 1.159 439 K HN 0.561 nan 8.250 nan 0.000 0.424 440 I N 2.673 123.241 120.570 -0.003 0.000 2.416 440 I HA 0.009 4.181 4.170 0.002 0.000 0.288 440 I C 1.459 177.522 176.117 -0.090 0.000 1.051 440 I CA -0.157 61.158 61.300 0.026 0.000 1.375 440 I CB 0.808 38.909 38.000 0.170 0.000 1.407 440 I HN 0.433 nan 8.210 nan 0.000 0.516 441 V N 2.044 121.800 119.914 -0.263 0.000 3.562 441 V HA 0.268 4.389 4.120 0.002 0.000 0.270 441 V C 0.066 175.740 176.094 -0.698 0.000 1.418 441 V CA 0.069 62.127 62.300 -0.404 0.000 1.033 441 V CB -0.098 31.666 31.823 -0.098 0.000 0.820 441 V HN 0.838 nan 8.190 nan 0.000 0.441 442 Q N 0.172 119.633 119.800 -0.565 0.000 2.340 442 Q HA 0.718 5.060 4.340 0.002 0.000 0.276 442 Q C -1.948 173.946 176.000 -0.177 0.000 1.048 442 Q CA -0.762 54.753 55.803 -0.481 0.000 0.832 442 Q CB 2.802 31.388 28.738 -0.253 0.000 1.373 442 Q HN 0.415 nan 8.270 nan 0.000 0.409 443 I N 3.552 124.143 120.570 0.035 0.000 2.468 443 I HA 0.344 4.515 4.170 0.002 0.000 0.285 443 I C -0.723 175.430 176.117 0.061 0.000 1.039 443 I CA -0.924 60.459 61.300 0.139 0.000 1.074 443 I CB 1.818 39.995 38.000 0.296 0.000 1.228 443 I HN 0.817 nan 8.210 nan 0.000 0.436 444 N N 5.259 123.973 118.700 0.023 0.000 2.714 444 N HA -0.200 4.542 4.740 0.002 0.000 0.253 444 N C 0.916 176.404 175.510 -0.037 0.000 1.024 444 N CA 1.377 54.432 53.050 0.009 0.000 0.726 444 N CB -0.763 37.750 38.487 0.044 0.000 0.908 444 N HN 1.185 nan 8.380 nan 0.000 0.542 445 G N -1.411 107.324 108.800 -0.108 0.000 2.205 445 G HA2 -0.386 3.575 3.960 0.002 0.000 0.261 445 G HA3 -0.386 3.575 3.960 0.002 0.000 0.261 445 G C 0.201 174.935 174.900 -0.276 0.000 0.980 445 G CA 0.713 45.717 45.100 -0.160 0.000 0.632 445 G HN 0.573 nan 8.290 nan 0.000 0.533 446 R N 0.301 120.678 120.500 -0.205 0.000 2.368 446 R HA 0.674 5.015 4.340 0.002 0.000 0.302 446 R C -0.199 175.971 176.300 -0.217 0.000 1.002 446 R CA -0.471 55.574 56.100 -0.092 0.000 0.929 446 R CB 0.672 31.044 30.300 0.120 0.000 1.073 446 R HN 0.569 nan 8.270 nan 0.000 0.464 447 H N 2.150 121.299 119.070 0.133 0.000 2.529 447 H HA 0.618 5.175 4.556 0.002 0.000 0.348 447 H C -0.558 174.863 175.328 0.154 0.000 1.152 447 H CA -0.425 55.600 56.048 -0.037 0.000 1.202 447 H CB 1.161 30.917 29.762 -0.009 0.000 1.562 447 H HN 0.562 nan 8.280 nan 0.000 0.515 448 F N -1.784 118.289 119.950 0.206 0.000 3.485 448 F HA 0.373 4.902 4.527 0.002 0.000 0.328 448 F C -1.804 174.089 175.800 0.156 0.000 1.111 448 F CA -1.097 56.988 58.000 0.142 0.000 0.847 448 F CB 1.238 40.292 39.000 0.091 0.000 1.558 448 F HN 0.339 nan 8.300 nan 0.000 0.491 449 D N 1.722 122.366 120.400 0.407 0.000 2.328 449 D HA 0.411 5.053 4.640 0.002 0.000 0.243 449 D C -1.895 174.569 176.300 0.273 0.000 1.324 449 D CA 0.141 54.303 54.000 0.271 0.000 0.966 449 D CB 1.355 42.305 40.800 0.249 0.000 1.324 449 D HN 0.589 nan 8.370 nan 0.000 0.549 450 L N 2.669 124.060 121.223 0.280 0.000 2.385 450 L HA 0.469 4.810 4.340 0.002 0.000 0.273 450 L C 0.667 177.592 176.870 0.092 0.000 0.990 450 L CA -0.842 54.114 54.840 0.192 0.000 0.821 450 L CB 2.372 44.569 42.059 0.230 0.000 1.279 450 L HN 0.138 nan 8.230 nan 0.000 0.412 451 R N 1.929 122.451 120.500 0.037 0.000 2.486 451 R HA -0.020 4.322 4.340 0.002 0.000 0.304 451 R C 0.392 176.692 176.300 -0.000 0.000 0.913 451 R CA -0.020 56.073 56.100 -0.011 0.000 1.124 451 R CB 0.401 30.691 30.300 -0.016 0.000 0.891 451 R HN 0.691 nan 8.270 nan 0.000 0.410 452 A N 5.450 128.254 122.820 -0.026 0.000 2.981 452 A HA 0.066 4.387 4.320 0.002 0.000 0.280 452 A C 0.104 177.675 177.584 -0.022 0.000 1.743 452 A CA 0.080 52.108 52.037 -0.015 0.000 1.430 452 A CB -0.314 18.665 19.000 -0.035 0.000 1.085 452 A HN 0.789 nan 8.150 nan 0.000 0.597 453 Q N 0.461 120.255 119.800 -0.010 0.000 2.633 453 Q HA 0.589 4.930 4.340 0.002 0.000 0.289 453 Q C -0.023 175.974 176.000 -0.006 0.000 0.940 453 Q CA -0.473 55.322 55.803 -0.013 0.000 0.785 453 Q CB 0.516 29.240 28.738 -0.023 0.000 1.467 453 Q HN 1.950 nan 8.270 nan 0.000 0.401 454 G N 0.465 109.261 108.800 -0.007 0.000 2.796 454 G HA2 -0.184 3.777 3.960 0.002 0.000 0.226 454 G HA3 -0.184 3.777 3.960 0.002 0.000 0.226 454 G C -0.705 174.193 174.900 -0.004 0.000 1.381 454 G CA -0.378 44.718 45.100 -0.006 0.000 0.867 454 G HN 0.767 nan 8.290 nan 0.000 0.552 455 I N 2.026 122.593 120.570 -0.005 0.000 2.517 455 I HA 0.154 4.325 4.170 0.002 0.000 0.285 455 I C 0.629 176.741 176.117 -0.008 0.000 1.106 455 I CA 0.088 61.384 61.300 -0.005 0.000 1.402 455 I CB 0.418 38.414 38.000 -0.007 0.000 1.399 455 I HN 0.363 nan 8.210 nan 0.000 0.535 456 N N 6.803 125.500 118.700 -0.006 0.000 2.392 456 N HA 0.331 5.073 4.740 0.002 0.000 0.283 456 N C -1.093 174.409 175.510 -0.013 0.000 1.003 456 N CA -0.773 52.271 53.050 -0.009 0.000 0.892 456 N CB 2.486 40.971 38.487 -0.002 0.000 1.193 456 N HN 0.273 nan 8.380 nan 0.000 0.487 457 L N 3.862 125.072 121.223 -0.021 0.000 2.265 457 L HA 0.526 4.867 4.340 0.002 0.000 0.288 457 L C -0.952 175.906 176.870 -0.021 0.000 1.058 457 L CA -0.158 54.667 54.840 -0.024 0.000 0.809 457 L CB 0.256 42.295 42.059 -0.033 0.000 1.179 457 L HN 0.391 nan 8.230 nan 0.000 0.429 458 I N 6.486 127.051 120.570 -0.010 0.000 2.378 458 I HA 0.452 4.623 4.170 0.002 0.000 0.291 458 I C -0.507 175.630 176.117 0.033 0.000 0.992 458 I CA -0.113 61.199 61.300 0.020 0.000 1.154 458 I CB 1.537 39.558 38.000 0.035 0.000 1.315 458 I HN 0.505 nan 8.210 nan 0.000 0.448 459 I N 5.581 126.206 120.570 0.092 0.000 2.478 459 I HA 0.312 4.483 4.170 0.002 0.000 0.287 459 I C -0.995 175.286 176.117 0.274 0.000 1.042 459 I CA -0.737 60.627 61.300 0.106 0.000 1.067 459 I CB 1.311 39.323 38.000 0.020 0.000 1.233 459 I HN 0.449 nan 8.210 nan 0.000 0.431 460 H N 6.007 124.960 119.070 -0.195 0.000 2.517 460 H HA 0.585 5.143 4.556 0.002 0.000 0.317 460 H C -0.968 174.017 175.328 -0.572 0.000 1.080 460 H CA -0.522 55.251 56.048 -0.458 0.000 1.301 460 H CB 0.795 30.054 29.762 -0.839 0.000 1.425 460 H HN 0.484 nan 8.280 nan 0.000 0.471 461 Y N -1.033 119.095 120.300 -0.286 0.000 2.670 461 Y HA 0.527 5.078 4.550 0.002 0.000 0.334 461 Y C -0.794 175.195 175.900 0.147 0.000 1.185 461 Y CA -1.118 56.947 58.100 -0.059 0.000 1.053 461 Y CB 0.274 38.704 38.460 -0.049 0.000 1.298 461 Y HN 0.222 nan 8.280 nan 0.000 0.459 462 V N 0.002 120.052 119.914 0.227 0.000 3.562 462 V HA 0.145 4.266 4.120 0.002 0.000 0.270 462 V C -0.712 175.450 176.094 0.113 0.000 1.418 462 V CA 0.763 63.140 62.300 0.128 0.000 1.033 462 V CB 0.567 32.490 31.823 0.166 0.000 0.820 462 V HN 0.800 nan 8.190 nan 0.000 0.441 463 D N 0.456 120.992 120.400 0.226 0.000 2.412 463 D HA 0.274 4.915 4.640 0.002 0.000 0.224 463 D C 1.221 177.672 176.300 0.252 0.000 1.093 463 D CA -0.092 54.019 54.000 0.183 0.000 0.850 463 D CB 0.976 41.862 40.800 0.144 0.000 1.046 463 D HN 0.106 nan 8.370 nan 0.000 0.507 464 R N 2.861 123.454 120.500 0.156 0.000 2.064 464 R HA 0.133 4.474 4.340 0.002 0.000 0.221 464 R C -1.349 175.033 176.300 0.138 0.000 1.136 464 R CA 0.081 56.286 56.100 0.174 0.000 0.980 464 R CB -1.303 29.034 30.300 0.062 0.000 0.876 464 R HN 0.394 nan 8.270 nan 0.000 0.437 465 P HA 0.035 nan 4.420 nan 0.000 0.262 465 P C 0.287 177.615 177.300 0.047 0.000 1.199 465 P CA 1.196 64.328 63.100 0.054 0.000 0.763 465 P CB 0.429 32.151 31.700 0.037 0.000 0.790 466 G N 3.047 111.868 108.800 0.036 0.000 2.162 466 G HA2 -0.328 3.633 3.960 0.002 0.000 0.260 466 G HA3 -0.328 3.633 3.960 0.002 0.000 0.260 466 G C 1.154 176.055 174.900 0.002 0.000 0.976 466 G CA 0.420 45.530 45.100 0.017 0.000 0.655 466 G HN 0.664 nan 8.290 nan 0.000 0.533 467 A N -0.287 122.546 122.820 0.021 0.000 1.877 467 A HA 0.184 4.505 4.320 0.002 0.000 0.216 467 A C 2.403 179.930 177.584 -0.094 0.000 1.186 467 A CA 2.266 54.272 52.037 -0.052 0.000 0.620 467 A CB -0.340 18.657 19.000 -0.004 0.000 0.822 467 A HN 1.261 nan 8.150 nan 0.000 0.443 468 L N 0.317 121.518 121.223 -0.037 0.000 2.021 468 L HA -0.167 4.174 4.340 0.002 0.000 0.215 468 L C 2.443 179.285 176.870 -0.047 0.000 1.074 468 L CA 2.462 57.278 54.840 -0.042 0.000 0.760 468 L CB -1.413 40.640 42.059 -0.010 0.000 0.889 468 L HN 0.359 nan 8.230 nan 0.000 0.433 469 G N -0.836 107.944 108.800 -0.032 0.000 2.514 469 G HA2 -0.322 3.640 3.960 0.002 0.000 0.217 469 G HA3 -0.322 3.640 3.960 0.002 0.000 0.217 469 G C 1.666 176.540 174.900 -0.043 0.000 1.198 469 G CA 1.059 46.141 45.100 -0.030 0.000 0.780 469 G HN 0.466 nan 8.290 nan 0.000 0.565 470 K N 0.012 120.379 120.400 -0.054 0.000 2.032 470 K HA -0.047 4.275 4.320 0.002 0.000 0.209 470 K C 2.492 179.044 176.600 -0.080 0.000 1.048 470 K CA 1.315 57.564 56.287 -0.064 0.000 0.927 470 K CB -0.312 32.144 32.500 -0.072 0.000 0.712 470 K HN 0.360 nan 8.250 nan 0.000 0.441 471 I N 0.715 121.219 120.570 -0.110 0.000 2.142 471 I HA -0.201 3.970 4.170 0.002 0.000 0.240 471 I C 2.619 178.688 176.117 -0.079 0.000 1.078 471 I CA 1.547 62.776 61.300 -0.118 0.000 1.343 471 I CB -0.775 37.127 38.000 -0.164 0.000 1.046 471 I HN 0.303 nan 8.210 nan 0.000 0.405 472 G N 0.014 108.774 108.800 -0.066 0.000 2.440 472 G HA2 -0.227 3.734 3.960 0.002 0.000 0.218 472 G HA3 -0.227 3.734 3.960 0.002 0.000 0.218 472 G C 1.668 176.544 174.900 -0.039 0.000 1.154 472 G CA 1.503 46.575 45.100 -0.047 0.000 0.767 472 G HN 0.306 nan 8.290 nan 0.000 0.552 473 T N 1.271 115.802 114.554 -0.039 0.000 2.777 473 T HA 0.001 4.353 4.350 0.002 0.000 0.266 473 T C 2.449 177.129 174.700 -0.032 0.000 1.040 473 T CA 0.858 62.939 62.100 -0.031 0.000 1.141 473 T CB -0.167 68.684 68.868 -0.029 0.000 0.868 473 T HN 0.161 nan 8.240 nan 0.000 0.444 474 L N 0.371 121.571 121.223 -0.039 0.000 2.046 474 L HA -0.050 4.291 4.340 0.002 0.000 0.208 474 L C 2.368 179.217 176.870 -0.035 0.000 1.077 474 L CA 0.623 55.441 54.840 -0.037 0.000 0.747 474 L CB -0.542 41.490 42.059 -0.044 0.000 0.896 474 L HN 0.192 nan 8.230 nan 0.000 0.432 475 L N 0.031 121.230 121.223 -0.039 0.000 2.083 475 L HA -0.091 4.250 4.340 0.002 0.000 0.209 475 L C 2.495 179.349 176.870 -0.027 0.000 1.083 475 L CA 2.035 56.854 54.840 -0.034 0.000 0.752 475 L CB -1.759 40.277 42.059 -0.038 0.000 0.899 475 L HN 0.238 nan 8.230 nan 0.000 0.433 476 G N -2.497 106.288 108.800 -0.026 0.000 2.408 476 G HA2 -0.172 3.789 3.960 0.002 0.000 0.215 476 G HA3 -0.172 3.789 3.960 0.002 0.000 0.215 476 G C 1.553 176.442 174.900 -0.018 0.000 1.156 476 G CA 0.892 45.980 45.100 -0.021 0.000 0.793 476 G HN 0.327 nan 8.290 nan 0.000 0.535 477 T N 1.508 116.050 114.554 -0.020 0.000 2.881 477 T HA 0.045 4.396 4.350 0.002 0.000 0.270 477 T C 2.530 177.220 174.700 -0.017 0.000 1.068 477 T CA 1.236 63.325 62.100 -0.017 0.000 1.131 477 T CB -0.172 68.686 68.868 -0.018 0.000 0.871 477 T HN 0.334 nan 8.240 nan 0.000 0.479 478 A N 0.241 123.050 122.820 -0.019 0.000 2.235 478 A HA 0.487 4.808 4.320 0.002 0.000 0.208 478 A C 1.844 179.419 177.584 -0.015 0.000 1.172 478 A CA 0.820 52.846 52.037 -0.017 0.000 0.786 478 A CB -0.715 18.273 19.000 -0.020 0.000 0.804 478 A HN 0.694 nan 8.150 nan 0.000 0.479 479 G N -1.442 107.349 108.800 -0.015 0.000 2.147 479 G HA2 -0.182 3.779 3.960 0.002 0.000 0.244 479 G HA3 -0.182 3.779 3.960 0.002 0.000 0.244 479 G C 0.038 174.930 174.900 -0.014 0.000 1.005 479 G CA 0.156 45.248 45.100 -0.013 0.000 0.713 479 G HN 0.816 nan 8.290 nan 0.000 0.515 480 V N 1.592 121.496 119.914 -0.016 0.000 2.364 480 V HA 0.301 4.422 4.120 0.002 0.000 0.272 480 V C 0.676 176.760 176.094 -0.017 0.000 1.036 480 V CA -1.123 61.167 62.300 -0.017 0.000 0.880 480 V CB 1.248 33.059 31.823 -0.020 0.000 0.991 480 V HN 0.369 nan 8.190 nan 0.000 0.460 481 N N 4.418 123.109 118.700 -0.014 0.000 2.518 481 N HA 0.353 5.094 4.740 0.002 0.000 0.266 481 N C -0.537 174.964 175.510 -0.016 0.000 1.196 481 N CA -0.071 52.971 53.050 -0.014 0.000 0.947 481 N CB 1.622 40.102 38.487 -0.011 0.000 1.098 481 N HN 0.533 nan 8.380 nan 0.000 0.450 482 I N 2.743 123.304 120.570 -0.016 0.000 2.330 482 I HA 0.091 4.262 4.170 0.002 0.000 0.286 482 I C 1.432 177.541 176.117 -0.014 0.000 1.025 482 I CA -0.282 61.007 61.300 -0.018 0.000 1.197 482 I CB 1.301 39.287 38.000 -0.022 0.000 1.358 482 I HN 0.390 nan 8.210 nan 0.000 0.467 483 Q N 4.363 124.155 119.800 -0.012 0.000 2.062 483 Q HA 0.146 4.487 4.340 0.002 0.000 0.196 483 Q C 0.646 176.643 176.000 -0.006 0.000 0.967 483 Q CA 0.900 56.699 55.803 -0.008 0.000 0.832 483 Q CB 0.278 29.012 28.738 -0.007 0.000 0.899 483 Q HN 0.817 nan 8.270 nan 0.000 0.442 484 A N -0.507 122.307 122.820 -0.010 0.000 2.583 484 A HA 0.851 5.172 4.320 0.002 0.000 0.289 484 A C -1.761 175.806 177.584 -0.027 0.000 1.151 484 A CA -0.107 51.925 52.037 -0.009 0.000 0.695 484 A CB 1.707 20.709 19.000 0.003 0.000 1.290 484 A HN 0.157 nan 8.150 nan 0.000 0.419 485 A N 0.075 122.874 122.820 -0.035 0.000 2.594 485 A HA 0.709 5.031 4.320 0.002 0.000 0.296 485 A C -1.574 175.954 177.584 -0.094 0.000 1.056 485 A CA -0.263 51.734 52.037 -0.066 0.000 0.693 485 A CB 1.625 20.596 19.000 -0.049 0.000 1.278 485 A HN 1.273 nan 8.150 nan 0.000 0.408 486 Q N 1.765 121.466 119.800 -0.165 0.000 2.289 486 Q HA 0.609 4.951 4.340 0.002 0.000 0.270 486 Q C -2.215 173.679 176.000 -0.176 0.000 1.038 486 Q CA -0.675 55.001 55.803 -0.212 0.000 0.812 486 Q CB 1.955 30.386 28.738 -0.511 0.000 1.300 486 Q HN 1.506 nan 8.270 nan 0.000 0.427 487 L N 0.698 121.869 121.223 -0.087 0.000 2.505 487 L HA 0.843 5.185 4.340 0.002 0.000 0.259 487 L C -1.561 175.303 176.870 -0.010 0.000 0.952 487 L CA -0.424 54.393 54.840 -0.038 0.000 0.840 487 L CB 1.319 43.387 42.059 0.015 0.000 1.358 487 L HN 0.745 nan 8.230 nan 0.000 0.409 488 S N 0.292 115.984 115.700 -0.014 0.000 2.550 488 S HA 0.585 5.056 4.470 0.002 0.000 0.270 488 S C -0.934 173.637 174.600 -0.048 0.000 1.145 488 S CA -0.737 57.456 58.200 -0.011 0.000 0.852 488 S CB 2.101 65.303 63.200 0.003 0.000 1.119 488 S HN 0.961 nan 8.310 nan 0.000 0.465 489 E N 0.914 121.090 120.200 -0.040 0.000 2.259 489 E HA 0.315 4.666 4.350 0.002 0.000 0.281 489 E C -1.172 175.388 176.600 -0.066 0.000 1.027 489 E CA -0.639 55.718 56.400 -0.072 0.000 0.838 489 E CB 0.308 29.980 29.700 -0.045 0.000 1.066 489 E HN 0.497 nan 8.360 nan 0.000 0.401 490 D N 2.585 122.930 120.400 -0.093 0.000 2.506 490 D HA -0.011 4.630 4.640 0.002 0.000 0.234 490 D C 1.016 177.293 176.300 -0.039 0.000 1.143 490 D CA 0.579 54.538 54.000 -0.069 0.000 0.871 490 D CB 1.249 42.006 40.800 -0.072 0.000 1.190 490 D HN 0.659 nan 8.370 nan 0.000 0.459 491 A N 3.515 126.320 122.820 -0.024 0.000 1.883 491 A HA -0.170 4.151 4.320 0.002 0.000 0.217 491 A C 0.695 178.270 177.584 -0.014 0.000 1.186 491 A CA 1.402 53.432 52.037 -0.012 0.000 0.624 491 A CB -0.395 18.604 19.000 -0.002 0.000 0.822 491 A HN 0.715 nan 8.150 nan 0.000 0.444 492 E N -2.099 118.090 120.200 -0.017 0.000 2.187 492 E HA 0.552 4.903 4.350 0.002 0.000 0.268 492 E C 0.121 176.705 176.600 -0.026 0.000 0.896 492 E CA -0.599 55.789 56.400 -0.018 0.000 0.766 492 E CB 1.394 31.085 29.700 -0.015 0.000 1.142 492 E HN 1.089 nan 8.360 nan 0.000 0.408 493 G N 3.218 112.002 108.800 -0.027 0.000 2.655 493 G HA2 -0.151 3.810 3.960 0.002 0.000 0.680 493 G HA3 -0.151 3.810 3.960 0.002 0.000 0.680 493 G C -2.167 172.711 174.900 -0.037 0.000 1.302 493 G CA -0.428 44.652 45.100 -0.033 0.000 0.872 493 G HN 0.549 nan 8.290 nan 0.000 0.540 494 P HA 0.259 nan 4.420 nan 0.000 0.255 494 P C 1.062 178.333 177.300 -0.050 0.000 1.248 494 P CA 1.229 64.309 63.100 -0.033 0.000 0.807 494 P CB 0.289 31.976 31.700 -0.022 0.000 1.150 495 G N 0.183 108.948 108.800 -0.060 0.000 2.528 495 G HA2 0.574 4.536 3.960 0.002 0.000 0.289 495 G HA3 0.574 4.536 3.960 0.002 0.000 0.289 495 G C -0.933 173.829 174.900 -0.230 0.000 1.192 495 G CA -0.158 44.890 45.100 -0.088 0.000 0.921 495 G HN 0.340 nan 8.290 nan 0.000 0.512 496 A N -0.337 122.195 122.820 -0.481 0.000 2.566 496 A HA 0.923 5.244 4.320 0.002 0.000 0.292 496 A C -0.264 176.941 177.584 -0.632 0.000 1.112 496 A CA -0.215 51.456 52.037 -0.608 0.000 0.707 496 A CB 1.823 20.322 19.000 -0.836 0.000 1.302 496 A HN 1.630 nan 8.150 nan 0.000 0.409 497 T N -0.818 113.547 114.554 -0.315 0.000 2.921 497 T HA 0.659 5.011 4.350 0.002 0.000 0.297 497 T C -0.739 173.968 174.700 0.012 0.000 1.013 497 T CA -0.286 61.705 62.100 -0.183 0.000 0.990 497 T CB 0.948 69.590 68.868 -0.378 0.000 1.023 497 T HN 1.109 nan 8.240 nan 0.000 0.447 498 I N 3.409 124.051 120.570 0.119 0.000 2.569 498 I HA 0.724 4.895 4.170 0.002 0.000 0.296 498 I C -1.638 174.463 176.117 -0.027 0.000 1.028 498 I CA -1.811 59.510 61.300 0.034 0.000 1.082 498 I CB 1.932 39.964 38.000 0.052 0.000 1.264 498 I HN 0.837 nan 8.210 nan 0.000 0.429 499 L N 7.744 128.901 121.223 -0.109 0.000 2.356 499 L HA 0.602 4.943 4.340 0.002 0.000 0.277 499 L C -1.905 174.901 176.870 -0.107 0.000 0.996 499 L CA -0.646 54.126 54.840 -0.113 0.000 0.822 499 L CB 1.556 43.501 42.059 -0.191 0.000 1.256 499 L HN 0.554 nan 8.230 nan 0.000 0.413 500 L N 5.033 126.215 121.223 -0.068 0.000 2.362 500 L HA 0.564 4.905 4.340 0.002 0.000 0.275 500 L C -0.159 176.687 176.870 -0.040 0.000 0.998 500 L CA -0.381 54.425 54.840 -0.057 0.000 0.820 500 L CB 1.696 43.725 42.059 -0.050 0.000 1.270 500 L HN 0.538 nan 8.230 nan 0.000 0.415 501 R N 3.417 123.897 120.500 -0.033 0.000 2.234 501 R HA 0.650 4.991 4.340 0.002 0.000 0.324 501 R C -1.172 175.116 176.300 -0.019 0.000 1.054 501 R CA -0.321 55.767 56.100 -0.020 0.000 0.912 501 R CB 0.480 30.773 30.300 -0.012 0.000 1.030 501 R HN 0.653 nan 8.270 nan 0.000 0.455 502 L N 2.809 124.022 121.223 -0.017 0.000 2.304 502 L HA 0.307 4.648 4.340 0.002 0.000 0.268 502 L C 1.006 177.868 176.870 -0.013 0.000 1.010 502 L CA -0.761 54.069 54.840 -0.017 0.000 0.813 502 L CB 1.603 43.651 42.059 -0.019 0.000 1.315 502 L HN 0.723 nan 8.230 nan 0.000 0.445 503 D N -0.974 119.419 120.400 -0.012 0.000 2.360 503 D HA -0.004 4.637 4.640 0.002 0.000 0.210 503 D C 0.122 176.417 176.300 -0.009 0.000 1.047 503 D CA 0.209 54.203 54.000 -0.010 0.000 0.854 503 D CB 0.723 41.518 40.800 -0.009 0.000 0.936 503 D HN 0.662 nan 8.370 nan 0.000 0.514 504 Q N -0.733 119.061 119.800 -0.010 0.000 2.648 504 Q HA 0.304 4.646 4.340 0.002 0.000 0.300 504 Q C -1.260 174.734 176.000 -0.010 0.000 0.954 504 Q CA -0.887 54.910 55.803 -0.009 0.000 0.757 504 Q CB 0.830 29.563 28.738 -0.009 0.000 1.482 504 Q HN -0.201 nan 8.270 nan 0.000 0.437 505 D N -0.072 120.323 120.400 -0.009 0.000 2.369 505 D HA 0.267 4.908 4.640 0.002 0.000 0.241 505 D C -0.860 175.432 176.300 -0.013 0.000 1.271 505 D CA -0.084 53.910 54.000 -0.010 0.000 0.942 505 D CB 1.179 41.975 40.800 -0.007 0.000 1.129 505 D HN 0.323 nan 8.370 nan 0.000 0.476 506 V N 3.073 122.979 119.914 -0.014 0.000 2.350 506 V HA 0.296 4.418 4.120 0.002 0.000 0.285 506 V C -2.050 174.035 176.094 -0.016 0.000 1.014 506 V CA -1.570 60.719 62.300 -0.017 0.000 0.831 506 V CB 1.309 33.118 31.823 -0.022 0.000 1.000 506 V HN 0.538 nan 8.190 nan 0.000 0.433 507 P HA 0.011 nan 4.420 nan 0.000 0.267 507 P C 0.540 177.831 177.300 -0.015 0.000 1.195 507 P CA 0.188 63.280 63.100 -0.014 0.000 0.773 507 P CB 0.755 32.447 31.700 -0.014 0.000 0.837 508 D N 0.905 121.297 120.400 -0.013 0.000 2.117 508 D HA -0.163 4.478 4.640 0.002 0.000 0.197 508 D C 1.368 177.660 176.300 -0.014 0.000 0.987 508 D CA 1.356 55.349 54.000 -0.013 0.000 0.829 508 D CB -0.314 40.480 40.800 -0.011 0.000 0.961 508 D HN 0.536 nan 8.370 nan 0.000 0.460 509 D N 0.732 121.124 120.400 -0.014 0.000 2.117 509 D HA -0.141 4.500 4.640 0.002 0.000 0.197 509 D C 2.262 178.552 176.300 -0.018 0.000 0.987 509 D CA 1.511 55.502 54.000 -0.015 0.000 0.829 509 D CB -0.729 40.063 40.800 -0.014 0.000 0.961 509 D HN 0.320 nan 8.370 nan 0.000 0.460 510 V N -0.186 119.716 119.914 -0.020 0.000 2.407 510 V HA -0.178 3.943 4.120 0.002 0.000 0.248 510 V C 2.501 178.577 176.094 -0.029 0.000 1.055 510 V CA 1.111 63.396 62.300 -0.025 0.000 1.049 510 V CB -0.783 31.025 31.823 -0.025 0.000 0.662 510 V HN -0.030 nan 8.190 nan 0.000 0.455 511 R N 0.409 120.893 120.500 -0.027 0.000 2.091 511 R HA -0.113 4.228 4.340 0.002 0.000 0.238 511 R C 2.484 178.766 176.300 -0.028 0.000 1.136 511 R CA 2.103 58.185 56.100 -0.029 0.000 0.959 511 R CB -1.015 29.270 30.300 -0.024 0.000 0.856 511 R HN 0.603 nan 8.270 nan 0.000 0.437 512 T N 0.909 115.450 114.554 -0.022 0.000 2.777 512 T HA -0.076 4.275 4.350 0.002 0.000 0.266 512 T C 1.954 176.642 174.700 -0.020 0.000 1.040 512 T CA 1.265 63.355 62.100 -0.017 0.000 1.141 512 T CB -0.186 68.674 68.868 -0.013 0.000 0.868 512 T HN 0.376 nan 8.240 nan 0.000 0.444 513 A N 1.297 124.103 122.820 -0.024 0.000 1.908 513 A HA -0.053 4.268 4.320 0.002 0.000 0.218 513 A C 2.272 179.833 177.584 -0.037 0.000 1.181 513 A CA 1.309 53.330 52.037 -0.027 0.000 0.627 513 A CB -0.784 18.200 19.000 -0.027 0.000 0.818 513 A HN 0.528 nan 8.150 nan 0.000 0.445 514 I N -0.518 120.023 120.570 -0.048 0.000 2.252 514 I HA -0.242 3.929 4.170 0.002 0.000 0.245 514 I C 2.989 179.062 176.117 -0.074 0.000 1.102 514 I CA 0.916 62.172 61.300 -0.073 0.000 1.385 514 I CB -0.421 37.529 38.000 -0.084 0.000 1.064 514 I HN 0.375 nan 8.210 nan 0.000 0.414 515 A N 1.015 123.806 122.820 -0.048 0.000 1.865 515 A HA -0.205 4.116 4.320 0.002 0.000 0.217 515 A C 2.574 180.153 177.584 -0.009 0.000 1.191 515 A CA 2.033 54.053 52.037 -0.028 0.000 0.623 515 A CB -0.959 18.033 19.000 -0.014 0.000 0.826 515 A HN 0.422 nan 8.150 nan 0.000 0.444 516 A N -0.346 122.468 122.820 -0.009 0.000 1.908 516 A HA 0.109 4.431 4.320 0.002 0.000 0.218 516 A C 2.485 180.068 177.584 -0.002 0.000 1.181 516 A CA 2.352 54.389 52.037 0.001 0.000 0.627 516 A CB -0.956 18.042 19.000 -0.003 0.000 0.818 516 A HN 1.088 nan 8.150 nan 0.000 0.445 517 A N -0.414 122.393 122.820 -0.023 0.000 1.897 517 A HA 0.092 4.413 4.320 0.002 0.000 0.215 517 A C 2.075 179.641 177.584 -0.030 0.000 1.181 517 A CA 1.845 53.865 52.037 -0.029 0.000 0.620 517 A CB -0.838 18.133 19.000 -0.048 0.000 0.821 517 A HN 1.139 nan 8.150 nan 0.000 0.443 518 V N -3.742 116.135 119.914 -0.063 0.000 3.647 518 V HA 0.222 4.344 4.120 0.002 0.000 0.279 518 V C 0.373 176.532 176.094 0.107 0.000 1.314 518 V CA 0.684 62.955 62.300 -0.049 0.000 1.125 518 V CB -0.383 31.211 31.823 -0.381 0.000 0.907 518 V HN 0.497 nan 8.190 nan 0.000 0.434 519 D N 0.930 121.375 120.400 0.075 0.000 2.778 519 D HA -0.140 4.502 4.640 0.002 0.000 0.246 519 D C 0.220 176.624 176.300 0.173 0.000 1.107 519 D CA 0.868 54.937 54.000 0.115 0.000 0.732 519 D CB -1.095 39.780 40.800 0.126 0.000 1.055 519 D HN 1.098 nan 8.370 nan 0.000 0.429 520 A N 1.128 124.017 122.820 0.116 0.000 2.386 520 A HA 0.473 4.794 4.320 0.002 0.000 0.248 520 A C 0.923 178.581 177.584 0.123 0.000 1.082 520 A CA 0.245 52.333 52.037 0.085 0.000 0.789 520 A CB 0.256 19.255 19.000 -0.002 0.000 1.025 520 A HN 0.564 nan 8.150 nan 0.000 0.490 521 Y N -0.398 119.964 120.300 0.103 0.000 2.498 521 Y HA 0.471 5.023 4.550 0.002 0.000 0.259 521 Y C 0.655 176.573 175.900 0.030 0.000 1.086 521 Y CA 0.013 58.148 58.100 0.058 0.000 1.287 521 Y CB 0.229 38.721 38.460 0.053 0.000 1.146 521 Y HN 0.444 nan 8.280 nan 0.000 0.523 522 K N 1.838 122.057 120.400 -0.301 0.000 2.426 522 K HA 0.476 4.797 4.320 0.002 0.000 0.254 522 K C -2.036 174.458 176.600 -0.177 0.000 0.936 522 K CA -0.857 55.289 56.287 -0.235 0.000 0.801 522 K CB 1.726 33.959 32.500 -0.444 0.000 1.139 522 K HN 0.151 nan 8.250 nan 0.000 0.424 523 L N 4.004 125.162 121.223 -0.108 0.000 2.457 523 L HA 0.501 4.842 4.340 0.002 0.000 0.266 523 L C -1.568 175.266 176.870 -0.061 0.000 0.979 523 L CA -0.201 54.596 54.840 -0.071 0.000 0.857 523 L CB 1.355 43.384 42.059 -0.050 0.000 1.213 523 L HN 0.800 nan 8.230 nan 0.000 0.418 524 E N 2.313 122.479 120.200 -0.057 0.000 2.369 524 E HA 0.763 5.115 4.350 0.002 0.000 0.270 524 E C -1.443 175.142 176.600 -0.026 0.000 0.909 524 E CA -0.497 55.878 56.400 -0.042 0.000 0.775 524 E CB 2.893 32.561 29.700 -0.052 0.000 1.270 524 E HN 0.303 nan 8.360 nan 0.000 0.445 525 V N 2.511 122.415 119.914 -0.016 0.000 2.462 525 V HA 0.431 4.552 4.120 0.002 0.000 0.288 525 V C -1.087 175.006 176.094 -0.003 0.000 1.020 525 V CA -0.784 61.509 62.300 -0.011 0.000 0.857 525 V CB 1.571 33.388 31.823 -0.011 0.000 1.013 525 V HN 0.447 nan 8.190 nan 0.000 0.431 526 V N 3.620 123.534 119.914 0.000 0.000 2.628 526 V HA 0.648 4.770 4.120 0.002 0.000 0.306 526 V C -0.852 175.246 176.094 0.006 0.000 1.045 526 V CA -0.373 61.931 62.300 0.007 0.000 0.905 526 V CB 2.267 34.096 31.823 0.011 0.000 0.997 526 V HN 0.957 nan 8.190 nan 0.000 0.436 527 D N 4.760 125.164 120.400 0.007 0.000 2.347 527 D HA 0.272 4.913 4.640 0.002 0.000 0.235 527 D C 0.424 176.727 176.300 0.006 0.000 1.149 527 D CA 0.022 54.025 54.000 0.005 0.000 0.850 527 D CB 1.043 41.846 40.800 0.004 0.000 1.061 527 D HN 0.549 nan 8.370 nan 0.000 0.487 528 L N 2.770 123.996 121.223 0.005 0.000 2.728 528 L HA 0.181 4.523 4.340 0.002 0.000 0.235 528 L C 0.687 177.557 176.870 0.000 0.000 1.197 528 L CA -0.190 54.653 54.840 0.006 0.000 0.992 528 L CB -0.218 41.847 42.059 0.009 0.000 1.263 528 L HN 0.329 nan 8.230 nan 0.000 0.484 529 S N 0.000 115.700 115.700 -0.001 0.000 2.498 529 S HA 0.000 4.471 4.470 0.002 0.000 0.327 529 S CA 0.000 58.198 58.200 -0.004 0.000 1.107 529 S CB 0.000 63.198 63.200 -0.003 0.000 0.593 529 S HN 0.000 nan 8.310 nan 0.000 0.517