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 2bv3_1_A DATA FIRST_RESID 7 DATA SEQUENCE YDLKRLRNIG IAAHIDAGKT TTTERILYYT GRIHKXXXXX XXXXXXXXXX DATA SEQUENCE XXXXRGITIT AAVTTCFWKD HRINIIDAPG HVDFTIEVER SMRVLDGAIV DATA SEQUENCE VFDSSQGVEP QSETVWRQAE KYKVPRIAFA NKMDKTGADL WLVIRTMQER DATA SEQUENCE LGARPVVMQL PIGREDTFSG IIDVLRMKAY TYGNDLGTDI REIPIPEEYL DATA SEQUENCE DQAREYHEKL VEVAADFDEN IMLKYLEGEE PTEEELVAAI RKGTIDLKIT DATA SEQUENCE PVFLGSALKN KGVQLLLDAV VDYLPSPLDI PPIKGTTPEG EVVEIHPDPN DATA SEQUENCE GPLAALAFKI MADPYVGRLT FIRVYSGTLT SGSYVYNTTK GRKERVARLL DATA SEQUENCE RMHANHREEV EELKAGDLGA VVGLKETITG DTLVGEDAPR VILESIEVPE DATA SEQUENCE PVIDVAIEPX XXXXXXXXXX XXXXXXXXSP TFSVSTHPET GSTIISGMGE DATA SEQUENCE LSLEIIVXXX XXXXXXXXXV GKPQVAYRET ITKPVDVEGK FIRQTGGRGQ DATA SEQUENCE YGHVKIKVEP LPRGSGFEFV NAIVGGVIPK EYIPAVQKGI EEAMQSGPLI DATA SEQUENCE GFPVVDIKVT LYDGSYHEVD SSEMAFKIAG SMAIKEAVQK GDPVILEPIM DATA SEQUENCE RVEVTTPEEY MGDVIGDLNA RRGQILGMEP RGNAQVIRAF VPLAEMFGYA DATA SEQUENCE TDLRSKTQGR GSFVMFFDHY QEVPKQVQEK LI 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 7 Y HA 0.000 nan 4.550 nan 0.000 0.201 7 Y C 0.000 175.900 175.900 0.000 0.000 1.272 7 Y CA 0.000 58.109 58.100 0.015 0.000 1.940 7 Y CB 0.000 38.471 38.460 0.019 0.000 1.050 8 D N 5.721 125.700 120.400 -0.702 0.000 2.763 8 D HA 0.193 4.834 4.640 0.001 0.000 0.235 8 D C -0.121 175.814 176.300 -0.609 0.000 1.334 8 D CA -0.492 53.146 54.000 -0.603 0.000 0.950 8 D CB 1.820 42.449 40.800 -0.285 0.000 1.433 8 D HN 0.535 nan 8.370 nan 0.000 0.580 9 L N 4.065 124.935 121.223 -0.588 0.000 2.127 9 L HA -0.015 4.326 4.340 0.001 0.000 0.211 9 L C 1.866 178.643 176.870 -0.155 0.000 1.089 9 L CA 1.770 56.425 54.840 -0.309 0.000 0.757 9 L CB -0.386 41.600 42.059 -0.122 0.000 0.899 9 L HN 0.502 nan 8.230 nan 0.000 0.434 10 K N -0.763 119.552 120.400 -0.142 0.000 2.362 10 K HA -0.073 4.248 4.320 0.001 0.000 0.200 10 K C 1.493 178.050 176.600 -0.071 0.000 1.046 10 K CA 0.686 56.927 56.287 -0.077 0.000 0.952 10 K CB 0.042 32.502 32.500 -0.066 0.000 0.753 10 K HN 0.384 nan 8.250 nan 0.000 0.466 11 R N 0.143 120.550 120.500 -0.155 0.000 2.393 11 R HA 0.118 4.459 4.340 0.001 0.000 0.244 11 R C -0.350 175.944 176.300 -0.011 0.000 0.920 11 R CA -0.290 55.681 56.100 -0.214 0.000 1.076 11 R CB 0.304 30.361 30.300 -0.405 0.000 1.119 11 R HN -0.079 nan 8.270 nan 0.000 0.524 12 L N 1.378 122.602 121.223 0.002 0.000 2.312 12 L HA 0.275 4.616 4.340 0.001 0.000 0.281 12 L C -0.165 176.735 176.870 0.050 0.000 1.070 12 L CA -0.136 54.722 54.840 0.030 0.000 0.805 12 L CB 1.086 43.149 42.059 0.007 0.000 1.174 12 L HN -0.095 nan 8.230 nan 0.000 0.434 13 R N 3.323 123.843 120.500 0.035 0.000 2.415 13 R HA 0.339 4.679 4.340 0.001 0.000 0.292 13 R C -1.038 175.238 176.300 -0.039 0.000 1.295 13 R CA -0.646 55.454 56.100 0.001 0.000 1.137 13 R CB 0.557 30.854 30.300 -0.004 0.000 1.135 13 R HN 0.476 nan 8.270 nan 0.000 0.560 14 N N 3.857 122.529 118.700 -0.048 0.000 2.406 14 N HA 0.279 5.019 4.740 0.001 0.000 0.251 14 N C 0.340 175.795 175.510 -0.091 0.000 1.069 14 N CA -0.073 52.930 53.050 -0.078 0.000 0.947 14 N CB 1.178 39.613 38.487 -0.087 0.000 1.111 14 N HN 0.551 nan 8.380 nan 0.000 0.497 15 I N -1.975 118.532 120.570 -0.105 0.000 2.892 15 I HA 0.884 5.054 4.170 0.001 0.000 0.306 15 I C 0.013 176.055 176.117 -0.124 0.000 1.078 15 I CA -1.155 60.079 61.300 -0.110 0.000 1.032 15 I CB 2.412 40.346 38.000 -0.111 0.000 1.229 15 I HN 0.275 nan 8.210 nan 0.000 0.435 16 G N 4.811 113.538 108.800 -0.122 0.000 2.542 16 G HA2 0.639 4.600 3.960 0.001 0.000 0.311 16 G HA3 0.639 4.600 3.960 0.001 0.000 0.311 16 G C -0.889 173.942 174.900 -0.115 0.000 1.298 16 G CA -0.664 44.362 45.100 -0.124 0.000 0.973 16 G HN 0.481 nan 8.290 nan 0.000 0.487 17 I N 1.474 121.977 120.570 -0.111 0.000 2.315 17 I HA 0.550 4.721 4.170 0.001 0.000 0.291 17 I C 0.459 176.517 176.117 -0.098 0.000 1.006 17 I CA -0.923 60.315 61.300 -0.102 0.000 1.265 17 I CB 0.812 38.753 38.000 -0.098 0.000 1.387 17 I HN 0.513 nan 8.210 nan 0.000 0.475 18 A N 5.232 127.992 122.820 -0.100 0.000 2.350 18 A HA 0.998 5.318 4.320 0.001 0.000 0.324 18 A C -0.362 177.153 177.584 -0.115 0.000 1.118 18 A CA -0.308 51.664 52.037 -0.107 0.000 0.783 18 A CB 1.828 20.760 19.000 -0.113 0.000 1.236 18 A HN 1.024 nan 8.150 nan 0.000 0.457 19 A N 0.813 123.571 122.820 -0.103 0.000 2.544 19 A HA 0.588 4.908 4.320 0.001 0.000 0.291 19 A C -0.751 176.810 177.584 -0.037 0.000 1.055 19 A CA -0.678 51.311 52.037 -0.081 0.000 0.651 19 A CB 0.134 19.106 19.000 -0.047 0.000 1.296 19 A HN 1.011 nan 8.150 nan 0.000 0.431 20 H N -0.055 118.986 119.070 -0.047 0.000 2.801 20 H HA 0.168 4.724 4.556 0.001 0.000 0.377 20 H C 1.494 176.811 175.328 -0.020 0.000 1.304 20 H CA 1.481 57.520 56.048 -0.015 0.000 1.451 20 H CB 0.703 30.474 29.762 0.015 0.000 1.474 20 H HN 0.707 nan 8.280 nan 0.000 0.620 21 I N -0.979 119.757 120.570 0.278 0.000 3.001 21 I HA -0.024 4.147 4.170 0.001 0.000 0.268 21 I C 1.140 177.314 176.117 0.095 0.000 1.267 21 I CA 1.230 62.610 61.300 0.134 0.000 1.472 21 I CB -0.214 37.852 38.000 0.109 0.000 1.089 21 I HN 0.325 nan 8.210 nan 0.000 0.468 22 D N 0.151 120.610 120.400 0.098 0.000 2.433 22 D HA 0.366 5.007 4.640 0.001 0.000 0.211 22 D C 2.146 178.454 176.300 0.013 0.000 1.114 22 D CA 0.675 54.688 54.000 0.022 0.000 0.837 22 D CB 0.471 41.255 40.800 -0.028 0.000 0.984 22 D HN 0.318 nan 8.370 nan 0.000 0.505 23 A N -0.017 122.827 122.820 0.040 0.000 1.968 23 A HA 0.366 4.687 4.320 0.001 0.000 0.217 23 A C 1.780 179.380 177.584 0.026 0.000 1.169 23 A CA 1.295 53.350 52.037 0.031 0.000 0.638 23 A CB -0.216 18.815 19.000 0.052 0.000 0.812 23 A HN 0.366 nan 8.150 nan 0.000 0.446 24 G N -1.016 107.801 108.800 0.029 0.000 2.188 24 G HA2 -0.132 3.829 3.960 0.001 0.000 0.112 24 G HA3 -0.132 3.829 3.960 0.001 0.000 0.112 24 G C 0.656 175.577 174.900 0.035 0.000 1.048 24 G CA 0.630 45.752 45.100 0.036 0.000 0.720 24 G HN 0.426 nan 8.290 nan 0.000 0.487 25 K N -0.169 120.237 120.400 0.010 0.000 2.063 25 K HA -0.093 4.227 4.320 0.001 0.000 0.208 25 K C 2.270 178.855 176.600 -0.024 0.000 1.048 25 K CA 2.087 58.365 56.287 -0.014 0.000 0.928 25 K CB -0.169 32.311 32.500 -0.033 0.000 0.713 25 K HN 0.308 nan 8.250 nan 0.000 0.442 26 T N -0.246 114.296 114.554 -0.019 0.000 2.770 26 T HA -0.120 4.230 4.350 0.001 0.000 0.258 26 T C 1.879 176.568 174.700 -0.018 0.000 1.039 26 T CA 1.839 63.924 62.100 -0.025 0.000 1.143 26 T CB -0.397 68.457 68.868 -0.023 0.000 0.866 26 T HN 0.495 nan 8.240 nan 0.000 0.428 27 T N 0.997 115.548 114.554 -0.005 0.000 2.867 27 T HA -0.122 4.229 4.350 0.001 0.000 0.268 27 T C 1.991 176.696 174.700 0.008 0.000 1.057 27 T CA 1.918 64.019 62.100 0.002 0.000 1.136 27 T CB -0.761 68.112 68.868 0.009 0.000 0.874 27 T HN 0.329 nan 8.240 nan 0.000 0.466 28 T N 1.371 115.931 114.554 0.010 0.000 2.821 28 T HA -0.051 4.299 4.350 0.001 0.000 0.267 28 T C 2.096 176.757 174.700 -0.066 0.000 1.046 28 T CA 1.796 63.880 62.100 -0.025 0.000 1.139 28 T CB -0.699 68.147 68.868 -0.036 0.000 0.871 28 T HN 0.481 nan 8.240 nan 0.000 0.454 29 T N 2.012 116.532 114.554 -0.055 0.000 2.701 29 T HA -0.106 4.244 4.350 0.001 0.000 0.263 29 T C 2.102 176.779 174.700 -0.039 0.000 1.040 29 T CA 1.611 63.672 62.100 -0.065 0.000 1.147 29 T CB -0.282 68.549 68.868 -0.061 0.000 0.865 29 T HN 0.637 nan 8.240 nan 0.000 0.426 30 E N 1.486 121.673 120.200 -0.021 0.000 2.110 30 E HA -0.149 4.202 4.350 0.001 0.000 0.193 30 E C 2.186 178.800 176.600 0.023 0.000 0.988 30 E CA 1.156 57.553 56.400 -0.004 0.000 0.804 30 E CB -0.203 29.490 29.700 -0.012 0.000 0.745 30 E HN 0.081 nan 8.360 nan 0.000 0.458 31 R N 0.572 121.088 120.500 0.028 0.000 2.075 31 R HA 0.065 4.406 4.340 0.001 0.000 0.232 31 R C 2.495 178.905 176.300 0.183 0.000 1.126 31 R CA 1.310 57.464 56.100 0.090 0.000 0.963 31 R CB -1.024 29.360 30.300 0.140 0.000 0.858 31 R HN 0.383 nan 8.270 nan 0.000 0.435 32 I N 0.499 121.110 120.570 0.069 0.000 2.118 32 I HA -0.317 3.853 4.170 0.001 0.000 0.241 32 I C 1.852 177.974 176.117 0.009 0.000 1.070 32 I CA 1.177 62.468 61.300 -0.016 0.000 1.327 32 I CB -0.311 37.609 38.000 -0.133 0.000 1.034 32 I HN 0.057 nan 8.210 nan 0.000 0.405 33 L N -0.223 121.006 121.223 0.010 0.000 2.127 33 L HA -0.250 4.090 4.340 0.001 0.000 0.211 33 L C 2.353 179.258 176.870 0.058 0.000 1.089 33 L CA 1.777 56.632 54.840 0.025 0.000 0.757 33 L CB -1.489 40.580 42.059 0.017 0.000 0.899 33 L HN 0.304 nan 8.230 nan 0.000 0.434 34 Y N -0.682 119.581 120.300 -0.060 0.000 2.089 34 Y HA -0.309 4.241 4.550 0.001 0.000 0.282 34 Y C 2.577 178.417 175.900 -0.099 0.000 1.139 34 Y CA 1.680 59.702 58.100 -0.130 0.000 1.123 34 Y CB -0.791 37.500 38.460 -0.282 0.000 0.980 34 Y HN 0.178 nan 8.280 nan 0.000 0.493 35 Y N 0.382 120.578 120.300 -0.173 0.000 2.224 35 Y HA -0.237 4.314 4.550 0.002 0.000 0.289 35 Y C 2.812 178.703 175.900 -0.016 0.000 1.146 35 Y CA 2.052 60.024 58.100 -0.212 0.000 1.182 35 Y CB -0.815 37.569 38.460 -0.128 0.000 0.983 35 Y HN 0.311 nan 8.280 nan 0.000 0.524 36 T N -3.836 110.815 114.554 0.162 0.000 3.035 36 T HA 0.006 4.357 4.350 0.001 0.000 0.268 36 T C 1.812 176.634 174.700 0.204 0.000 1.109 36 T CA 0.987 63.252 62.100 0.276 0.000 1.119 36 T CB -0.390 68.587 68.868 0.181 0.000 0.900 36 T HN 0.356 nan 8.240 nan 0.000 0.503 37 G N 0.183 109.029 108.800 0.076 0.000 3.277 37 G HA2 0.228 4.189 3.960 0.001 0.000 0.243 37 G HA3 0.228 4.189 3.960 0.001 0.000 0.243 37 G C 1.478 176.384 174.900 0.011 0.000 1.107 37 G CA -0.546 44.604 45.100 0.083 0.000 0.771 37 G HN 0.374 nan 8.290 nan 0.000 0.544 38 R N -0.142 120.316 120.500 -0.070 0.000 2.075 38 R HA 0.117 4.458 4.340 0.001 0.000 0.232 38 R C 0.668 176.959 176.300 -0.016 0.000 1.126 38 R CA 0.449 56.488 56.100 -0.101 0.000 0.963 38 R CB -0.126 30.077 30.300 -0.163 0.000 0.858 38 R HN 0.294 nan 8.270 nan 0.000 0.435 39 I N 0.447 121.026 120.570 0.017 0.000 2.533 39 I HA -0.070 4.101 4.170 0.001 0.000 0.284 39 I C 1.702 177.828 176.117 0.015 0.000 1.109 39 I CA 1.189 62.495 61.300 0.011 0.000 1.412 39 I CB 0.354 38.356 38.000 0.004 0.000 1.396 39 I HN 0.641 nan 8.210 nan 0.000 0.543 40 H N 1.556 120.622 119.070 -0.008 0.000 4.905 40 H HA -0.307 4.249 4.556 0.001 0.000 0.065 40 H C 1.222 176.542 175.328 -0.014 0.000 0.584 40 H CA 1.943 57.979 56.048 -0.019 0.000 0.984 40 H CB -1.444 28.300 29.762 -0.031 0.000 0.446 40 H HN 0.750 nan 8.280 nan 0.000 0.786 62 G N 0.919 109.732 108.800 0.021 0.000 2.439 62 G HA2 0.655 4.616 3.960 0.001 0.000 0.298 62 G HA3 0.655 4.616 3.960 0.001 0.000 0.298 62 G C 0.128 175.035 174.900 0.012 0.000 1.044 62 G CA 0.845 45.953 45.100 0.013 0.000 1.168 62 G HN 1.682 nan 8.290 nan 0.000 0.433 63 I N 0.804 121.381 120.570 0.012 0.000 2.894 63 I HA 0.820 4.990 4.170 0.001 0.000 0.302 63 I C 0.269 176.387 176.117 0.002 0.000 1.188 63 I CA -1.215 60.091 61.300 0.010 0.000 1.014 63 I CB 1.965 39.977 38.000 0.019 0.000 1.242 63 I HN 0.354 nan 8.210 nan 0.000 0.430 64 T N 4.819 119.371 114.554 -0.003 0.000 2.727 64 T HA 0.579 4.929 4.350 0.001 0.000 0.298 64 T C 0.802 175.495 174.700 -0.012 0.000 0.942 64 T CA 0.735 62.829 62.100 -0.010 0.000 0.997 64 T CB 0.263 69.122 68.868 -0.016 0.000 0.917 64 T HN 1.993 nan 8.240 nan 0.000 0.487 65 I N 3.452 124.014 120.570 -0.013 0.000 3.388 65 I HA 0.109 4.280 4.170 0.001 0.000 0.298 65 I C 1.166 177.267 176.117 -0.027 0.000 1.238 65 I CA -0.195 61.096 61.300 -0.016 0.000 1.376 65 I CB -1.690 36.296 38.000 -0.023 0.000 1.470 65 I HN 0.785 nan 8.210 nan 0.000 0.547 66 T N 3.837 118.383 114.554 -0.015 0.000 3.016 66 T HA 0.756 5.106 4.350 0.001 0.000 0.335 66 T C -0.043 174.641 174.700 -0.027 0.000 1.176 66 T CA 0.146 62.232 62.100 -0.024 0.000 0.987 66 T CB 0.361 69.227 68.868 -0.004 0.000 1.073 66 T HN 2.380 nan 8.240 nan 0.000 0.547 67 A N 1.807 124.573 122.820 -0.091 0.000 2.522 67 A HA 0.768 5.089 4.320 0.001 0.000 0.290 67 A C 1.070 178.454 177.584 -0.333 0.000 1.047 67 A CA -0.400 51.541 52.037 -0.159 0.000 0.935 67 A CB 0.159 19.135 19.000 -0.040 0.000 1.451 67 A HN 0.919 nan 8.150 nan 0.000 0.398 68 A N 1.609 124.014 122.820 -0.691 0.000 1.958 68 A HA 0.159 4.480 4.320 0.001 0.000 0.221 68 A C 1.164 178.572 177.584 -0.293 0.000 1.178 68 A CA 2.450 54.139 52.037 -0.580 0.000 0.642 68 A CB -0.236 18.179 19.000 -0.974 0.000 0.816 68 A HN 1.981 nan 8.150 nan 0.000 0.453 69 V N -0.272 119.439 119.914 -0.339 0.000 2.623 69 V HA 0.577 4.698 4.120 0.001 0.000 0.304 69 V C -1.022 175.034 176.094 -0.063 0.000 1.054 69 V CA -0.294 61.965 62.300 -0.069 0.000 0.882 69 V CB 2.092 33.992 31.823 0.128 0.000 1.002 69 V HN 0.256 nan 8.190 nan 0.000 0.424 70 T N 4.639 119.136 114.554 -0.096 0.000 2.807 70 T HA 0.462 4.813 4.350 0.001 0.000 0.279 70 T C -0.307 174.280 174.700 -0.189 0.000 0.993 70 T CA -0.231 61.793 62.100 -0.125 0.000 0.970 70 T CB 1.485 70.288 68.868 -0.108 0.000 0.950 70 T HN 0.793 nan 8.240 nan 0.000 0.441 71 T N 1.892 116.261 114.554 -0.310 0.000 2.902 71 T HA 0.673 5.024 4.350 0.001 0.000 0.283 71 T C -0.107 174.308 174.700 -0.476 0.000 1.009 71 T CA -0.480 61.364 62.100 -0.426 0.000 1.051 71 T CB -0.090 68.455 68.868 -0.539 0.000 0.999 71 T HN 0.980 nan 8.240 nan 0.000 0.474 72 C N 2.620 121.631 119.300 -0.481 0.000 3.336 72 C HA 0.865 5.326 4.460 0.001 0.000 0.339 72 C C -1.659 172.995 174.990 -0.559 0.000 1.468 72 C CA -1.377 57.392 59.018 -0.415 0.000 1.287 72 C CB 0.270 27.942 27.740 -0.113 0.000 1.682 72 C HN 0.754 nan 8.230 nan 0.000 0.451 73 F N 0.748 120.791 119.950 0.156 0.000 2.520 73 F HA 0.707 5.234 4.527 0.001 0.000 0.322 73 F C -0.367 175.606 175.800 0.288 0.000 1.103 73 F CA -0.399 57.707 58.000 0.177 0.000 0.926 73 F CB 1.622 40.701 39.000 0.132 0.000 1.154 73 F HN 0.838 nan 8.300 nan 0.000 0.453 74 W N 5.264 126.687 121.300 0.205 0.000 2.802 74 W HA 0.273 4.933 4.660 0.000 0.000 0.331 74 W C -0.953 175.635 176.519 0.117 0.000 1.021 74 W CA -1.216 56.191 57.345 0.102 0.000 1.259 74 W CB 1.462 30.924 29.460 0.004 0.000 1.323 74 W HN 0.636 nan 8.180 nan 0.000 0.432 75 K N 5.679 125.832 120.400 -0.412 0.000 3.451 75 K HA -0.252 4.069 4.320 0.001 0.000 0.273 75 K C -0.252 176.396 176.600 0.080 0.000 0.944 75 K CA 1.451 57.559 56.287 -0.299 0.000 0.734 75 K CB -1.048 31.174 32.500 -0.464 0.000 1.437 75 K HN 0.638 nan 8.250 nan 0.000 0.454 76 D N -1.478 118.962 120.400 0.067 0.000 3.012 76 D HA -0.157 4.483 4.640 0.001 0.000 0.222 76 D C -0.442 175.882 176.300 0.039 0.000 1.167 76 D CA 1.518 55.545 54.000 0.044 0.000 0.854 76 D CB -0.968 39.806 40.800 -0.044 0.000 1.107 76 D HN 0.622 nan 8.370 nan 0.000 0.421 77 H N -0.626 118.510 119.070 0.111 0.000 2.622 77 H HA 0.504 5.060 4.556 0.001 0.000 0.363 77 H C 0.353 175.801 175.328 0.199 0.000 1.151 77 H CA -0.701 55.418 56.048 0.119 0.000 1.184 77 H CB 1.365 31.178 29.762 0.085 0.000 1.643 77 H HN -0.084 nan 8.280 nan 0.000 0.531 78 R N 2.815 123.456 120.500 0.234 0.000 2.254 78 R HA 0.385 4.725 4.340 0.001 0.000 0.318 78 R C -0.940 175.370 176.300 0.016 0.000 1.031 78 R CA -0.383 55.764 56.100 0.078 0.000 0.905 78 R CB 0.270 30.600 30.300 0.049 0.000 1.050 78 R HN 0.597 nan 8.270 nan 0.000 0.456 79 I N 4.268 124.799 120.570 -0.065 0.000 2.339 79 I HA 0.222 4.393 4.170 0.001 0.000 0.290 79 I C -0.460 175.571 176.117 -0.143 0.000 0.994 79 I CA -0.924 60.331 61.300 -0.076 0.000 1.191 79 I CB 1.674 39.634 38.000 -0.068 0.000 1.343 79 I HN 0.505 nan 8.210 nan 0.000 0.458 80 N N 7.386 126.016 118.700 -0.118 0.000 2.469 80 N HA 0.463 5.204 4.740 0.001 0.000 0.253 80 N C -0.630 174.809 175.510 -0.118 0.000 0.970 80 N CA -0.337 52.638 53.050 -0.125 0.000 0.940 80 N CB 1.879 40.310 38.487 -0.094 0.000 1.128 80 N HN 0.466 nan 8.380 nan 0.000 0.503 81 I N 3.204 123.699 120.570 -0.124 0.000 2.312 81 I HA 0.238 4.408 4.170 0.001 0.000 0.291 81 I C 0.065 176.114 176.117 -0.113 0.000 1.031 81 I CA -0.559 60.669 61.300 -0.120 0.000 1.293 81 I CB 0.611 38.541 38.000 -0.118 0.000 1.403 81 I HN 0.254 nan 8.210 nan 0.000 0.484 82 I N 6.411 126.906 120.570 -0.125 0.000 2.312 82 I HA 0.132 4.303 4.170 0.001 0.000 0.291 82 I C 0.128 176.174 176.117 -0.118 0.000 1.031 82 I CA 0.068 61.289 61.300 -0.132 0.000 1.293 82 I CB 0.645 38.521 38.000 -0.207 0.000 1.403 82 I HN 0.469 nan 8.210 nan 0.000 0.484 83 D N 4.937 125.278 120.400 -0.099 0.000 2.255 83 D HA 0.624 5.264 4.640 0.001 0.000 0.249 83 D C -0.367 175.886 176.300 -0.078 0.000 1.078 83 D CA -0.172 53.773 54.000 -0.093 0.000 0.896 83 D CB 1.192 41.935 40.800 -0.096 0.000 1.194 83 D HN 0.585 nan 8.370 nan 0.000 0.429 84 A N 3.997 126.769 122.820 -0.079 0.000 2.938 84 A HA 0.343 4.664 4.320 0.001 0.000 0.344 84 A C -1.677 175.872 177.584 -0.060 0.000 1.142 84 A CA -0.836 51.160 52.037 -0.067 0.000 0.841 84 A CB 0.309 19.258 19.000 -0.085 0.000 1.083 84 A HN 0.517 nan 8.150 nan 0.000 0.479 85 P HA 0.036 nan 4.420 nan 0.000 0.212 85 P C 1.577 178.862 177.300 -0.025 0.000 1.179 85 P CA 1.615 64.686 63.100 -0.048 0.000 0.898 85 P CB -0.050 31.624 31.700 -0.043 0.000 0.775 86 G N 0.210 109.014 108.800 0.006 0.000 2.805 86 G HA2 -0.380 3.580 3.960 0.001 0.000 0.360 86 G HA3 -0.380 3.580 3.960 0.001 0.000 0.360 86 G C 1.032 176.003 174.900 0.118 0.000 1.164 86 G CA 1.606 46.735 45.100 0.050 0.000 0.954 86 G HN 0.704 nan 8.290 nan 0.000 0.597 87 H N -2.158 116.915 119.070 0.006 0.000 5.327 87 H HA 0.018 4.574 4.556 0.001 0.000 0.085 87 H C 2.261 177.608 175.328 0.033 0.000 1.316 87 H CA 1.544 57.600 56.048 0.014 0.000 0.457 87 H CB -0.570 29.201 29.762 0.016 0.000 1.623 87 H HN 0.951 nan 8.280 nan 0.000 0.085 88 V N 1.718 121.862 119.914 0.383 0.000 3.444 88 V HA 0.020 4.140 4.120 0.001 0.000 0.271 88 V C 0.647 176.896 176.094 0.258 0.000 1.188 88 V CA 2.053 64.555 62.300 0.336 0.000 1.168 88 V CB -1.584 30.431 31.823 0.319 0.000 0.810 88 V HN 0.822 nan 8.190 nan 0.000 0.500 89 D N -2.106 118.364 120.400 0.117 0.000 3.044 89 D HA -0.349 4.291 4.640 0.001 0.000 0.223 89 D C 0.506 176.751 176.300 -0.092 0.000 1.191 89 D CA 1.859 55.852 54.000 -0.011 0.000 0.881 89 D CB -2.581 38.163 40.800 -0.094 0.000 1.115 89 D HN 0.527 nan 8.370 nan 0.000 0.408 90 F N 0.635 120.556 119.950 -0.048 0.000 2.754 90 F HA 0.140 4.667 4.527 0.001 0.000 0.297 90 F C 1.698 177.434 175.800 -0.106 0.000 1.122 90 F CA 0.683 58.627 58.000 -0.094 0.000 1.400 90 F CB 0.029 38.945 39.000 -0.140 0.000 1.117 90 F HN 0.116 nan 8.300 nan 0.000 0.587 91 T N -1.554 113.051 114.554 0.086 0.000 2.855 91 T HA -0.024 4.327 4.350 0.001 0.000 0.314 91 T C 1.119 175.831 174.700 0.020 0.000 1.077 91 T CA -0.414 61.705 62.100 0.032 0.000 1.095 91 T CB 1.016 69.910 68.868 0.044 0.000 0.987 91 T HN 0.071 nan 8.240 nan 0.000 0.546 92 I N 0.589 121.171 120.570 0.021 0.000 3.291 92 I HA 0.016 4.186 4.170 0.001 0.000 0.279 92 I C 2.400 178.554 176.117 0.061 0.000 1.294 92 I CA 0.726 62.068 61.300 0.069 0.000 1.428 92 I CB -0.686 37.387 38.000 0.121 0.000 1.070 92 I HN 0.913 nan 8.210 nan 0.000 0.478 93 E N 0.175 120.401 120.200 0.043 0.000 2.267 93 E HA -0.183 4.168 4.350 0.001 0.000 0.197 93 E C 2.031 178.630 176.600 -0.002 0.000 0.998 93 E CA 1.258 57.679 56.400 0.035 0.000 0.830 93 E CB 0.139 29.866 29.700 0.046 0.000 0.751 93 E HN 0.382 nan 8.360 nan 0.000 0.491 94 V N 1.688 121.589 119.914 -0.021 0.000 2.407 94 V HA -0.268 3.853 4.120 0.001 0.000 0.248 94 V C 2.392 178.384 176.094 -0.171 0.000 1.055 94 V CA 2.201 64.457 62.300 -0.074 0.000 1.049 94 V CB -0.723 31.061 31.823 -0.064 0.000 0.662 94 V HN 0.427 nan 8.190 nan 0.000 0.455 95 E N 1.126 121.212 120.200 -0.190 0.000 2.204 95 E HA -0.270 4.080 4.350 0.001 0.000 0.195 95 E C 2.198 178.600 176.600 -0.329 0.000 0.990 95 E CA 1.648 57.782 56.400 -0.443 0.000 0.821 95 E CB -0.412 29.145 29.700 -0.240 0.000 0.750 95 E HN 0.545 nan 8.360 nan 0.000 0.477 96 R N 0.299 120.705 120.500 -0.157 0.000 2.062 96 R HA -0.044 4.296 4.340 0.001 0.000 0.231 96 R C 2.360 178.569 176.300 -0.150 0.000 1.136 96 R CA 1.550 57.593 56.100 -0.096 0.000 0.948 96 R CB -0.439 29.863 30.300 0.003 0.000 0.845 96 R HN 0.199 nan 8.270 nan 0.000 0.430 97 S N 0.353 115.964 115.700 -0.149 0.000 2.374 97 S HA -0.190 4.281 4.470 0.001 0.000 0.227 97 S C 1.731 176.181 174.600 -0.251 0.000 1.037 97 S CA 1.676 59.758 58.200 -0.196 0.000 1.024 97 S CB -0.122 62.995 63.200 -0.138 0.000 0.861 97 S HN 0.251 nan 8.310 nan 0.000 0.456 98 M N 0.266 119.692 119.600 -0.290 0.000 2.394 98 M HA 0.115 4.595 4.480 0.001 0.000 0.264 98 M C 1.893 178.028 176.300 -0.275 0.000 1.073 98 M CA 1.041 56.151 55.300 -0.318 0.000 1.111 98 M CB -0.004 32.300 32.600 -0.495 0.000 1.401 98 M HN 0.050 nan 8.290 nan 0.000 0.448 99 R N -1.381 118.963 120.500 -0.261 0.000 2.210 99 R HA 0.067 4.407 4.340 0.001 0.000 0.203 99 R C 1.620 177.872 176.300 -0.079 0.000 1.010 99 R CA 0.511 56.522 56.100 -0.149 0.000 1.008 99 R CB 0.181 30.407 30.300 -0.124 0.000 0.923 99 R HN 0.195 nan 8.270 nan 0.000 0.469 100 V N 1.391 121.196 119.914 -0.181 0.000 2.788 100 V HA -0.021 4.099 4.120 0.001 0.000 0.251 100 V C 0.662 176.592 176.094 -0.273 0.000 1.068 100 V CA 0.754 62.888 62.300 -0.277 0.000 1.090 100 V CB -0.102 31.314 31.823 -0.677 0.000 0.710 100 V HN 0.205 nan 8.190 nan 0.000 0.467 101 L N -2.915 118.169 121.223 -0.232 0.000 2.387 101 L HA 0.627 4.967 4.340 0.001 0.000 0.266 101 L C 0.595 177.399 176.870 -0.111 0.000 1.059 101 L CA 0.141 54.874 54.840 -0.178 0.000 0.801 101 L CB 0.292 42.243 42.059 -0.180 0.000 1.223 101 L HN -0.178 nan 8.230 nan 0.000 0.456 102 D N 0.096 120.444 120.400 -0.087 0.000 2.463 102 D HA 0.271 4.912 4.640 0.001 0.000 0.237 102 D C 0.609 176.878 176.300 -0.053 0.000 1.013 102 D CA 1.012 54.981 54.000 -0.052 0.000 0.910 102 D CB 0.784 41.564 40.800 -0.034 0.000 1.080 102 D HN 0.788 nan 8.370 nan 0.000 0.498 103 G N -0.484 108.277 108.800 -0.065 0.000 2.680 103 G HA2 0.670 4.630 3.960 0.001 0.000 0.290 103 G HA3 0.670 4.630 3.960 0.001 0.000 0.290 103 G C -1.585 173.267 174.900 -0.081 0.000 1.355 103 G CA -0.359 44.703 45.100 -0.063 0.000 0.903 103 G HN 0.186 nan 8.290 nan 0.000 0.474 104 A N -0.299 122.475 122.820 -0.076 0.000 2.475 104 A HA 0.783 5.103 4.320 0.001 0.000 0.301 104 A C -0.932 176.615 177.584 -0.060 0.000 1.059 104 A CA -0.606 51.380 52.037 -0.085 0.000 0.710 104 A CB 1.260 20.198 19.000 -0.104 0.000 1.288 104 A HN 0.634 nan 8.150 nan 0.000 0.408 105 I N 2.035 122.564 120.570 -0.070 0.000 2.321 105 I HA 0.345 4.516 4.170 0.001 0.000 0.291 105 I C -0.690 175.399 176.117 -0.046 0.000 0.998 105 I CA -0.777 60.498 61.300 -0.042 0.000 1.227 105 I CB 1.701 39.647 38.000 -0.089 0.000 1.368 105 I HN 0.297 nan 8.210 nan 0.000 0.466 106 V N 7.479 127.382 119.914 -0.019 0.000 2.370 106 V HA 0.256 4.377 4.120 0.001 0.000 0.279 106 V C 0.126 176.069 176.094 -0.252 0.000 1.029 106 V CA -0.658 61.556 62.300 -0.143 0.000 0.870 106 V CB 1.572 33.340 31.823 -0.092 0.000 0.984 106 V HN 0.388 nan 8.190 nan 0.000 0.451 107 V N 6.113 125.863 119.914 -0.275 0.000 2.350 107 V HA 0.455 4.576 4.120 0.001 0.000 0.276 107 V C -0.338 175.562 176.094 -0.323 0.000 1.028 107 V CA -0.345 61.869 62.300 -0.144 0.000 0.860 107 V CB 0.634 32.471 31.823 0.024 0.000 0.990 107 V HN 0.607 nan 8.190 nan 0.000 0.453 108 F N 2.260 122.229 119.950 0.031 0.000 2.397 108 F HA 0.446 4.974 4.527 0.001 0.000 0.331 108 F C 0.513 176.264 175.800 -0.081 0.000 1.090 108 F CA -0.950 57.038 58.000 -0.020 0.000 1.065 108 F CB 1.006 39.974 39.000 -0.052 0.000 1.184 108 F HN 0.415 nan 8.300 nan 0.000 0.499 109 D N 0.889 121.365 120.400 0.126 0.000 2.295 109 D HA 0.127 4.767 4.640 0.001 0.000 0.248 109 D C 0.709 176.994 176.300 -0.025 0.000 1.154 109 D CA 0.177 54.181 54.000 0.007 0.000 0.857 109 D CB 1.584 42.377 40.800 -0.013 0.000 1.117 109 D HN 0.432 nan 8.370 nan 0.000 0.468 110 S N 1.821 117.461 115.700 -0.099 0.000 2.419 110 S HA -0.151 4.319 4.470 0.001 0.000 0.233 110 S C 1.922 176.448 174.600 -0.123 0.000 1.016 110 S CA 1.297 59.409 58.200 -0.147 0.000 0.974 110 S CB -0.013 63.047 63.200 -0.233 0.000 0.786 110 S HN 0.694 nan 8.310 nan 0.000 0.492 111 S N 1.160 116.802 115.700 -0.097 0.000 2.419 111 S HA -0.058 4.413 4.470 0.001 0.000 0.233 111 S C 1.520 176.082 174.600 -0.062 0.000 1.016 111 S CA 0.603 58.758 58.200 -0.075 0.000 0.974 111 S CB -0.195 62.969 63.200 -0.061 0.000 0.786 111 S HN 0.490 nan 8.310 nan 0.000 0.492 112 Q N 0.806 120.571 119.800 -0.059 0.000 2.350 112 Q HA 0.379 4.719 4.340 0.001 0.000 0.225 112 Q C 1.386 177.353 176.000 -0.056 0.000 0.878 112 Q CA 0.538 56.312 55.803 -0.048 0.000 0.935 112 Q CB 0.202 28.915 28.738 -0.042 0.000 1.099 112 Q HN 0.624 nan 8.270 nan 0.000 0.527 113 G N 1.654 110.402 108.800 -0.087 0.000 2.642 113 G HA2 -0.284 3.676 3.960 0.001 0.000 0.231 113 G HA3 -0.284 3.676 3.960 0.001 0.000 0.231 113 G C -0.054 174.759 174.900 -0.144 0.000 1.338 113 G CA -0.190 44.817 45.100 -0.156 0.000 0.883 113 G HN 0.563 nan 8.290 nan 0.000 0.570 114 V N -0.762 119.005 119.914 -0.245 0.000 2.572 114 V HA 0.632 4.752 4.120 0.001 0.000 0.291 114 V C 0.516 176.653 176.094 0.071 0.000 1.039 114 V CA 0.411 62.660 62.300 -0.085 0.000 1.055 114 V CB 1.160 32.861 31.823 -0.202 0.000 0.969 114 V HN 0.774 nan 8.190 nan 0.000 0.482 115 E N 5.818 126.145 120.200 0.211 0.000 2.248 115 E HA 0.341 4.692 4.350 0.001 0.000 0.272 115 E C -1.772 174.970 176.600 0.236 0.000 1.008 115 E CA -1.945 54.575 56.400 0.199 0.000 0.856 115 E CB 1.844 31.673 29.700 0.216 0.000 1.120 115 E HN 0.532 nan 8.360 nan 0.000 0.397 116 P HA -0.307 nan 4.420 nan 0.000 0.222 116 P C 1.179 178.576 177.300 0.162 0.000 1.159 116 P CA 1.774 64.977 63.100 0.172 0.000 0.920 116 P CB 0.216 32.020 31.700 0.172 0.000 0.793 117 Q N -1.339 118.556 119.800 0.158 0.000 2.137 117 Q HA -0.074 4.267 4.340 0.001 0.000 0.198 117 Q C 2.263 178.219 176.000 -0.074 0.000 0.960 117 Q CA 1.189 56.913 55.803 -0.132 0.000 0.847 117 Q CB -0.318 27.998 28.738 -0.704 0.000 0.915 117 Q HN 0.107 nan 8.270 nan 0.000 0.448 118 S N 0.889 116.652 115.700 0.106 0.000 2.387 118 S HA -0.241 4.229 4.470 0.001 0.000 0.230 118 S C 1.635 176.380 174.600 0.243 0.000 1.035 118 S CA 1.667 59.981 58.200 0.190 0.000 1.014 118 S CB -0.210 63.211 63.200 0.367 0.000 0.836 118 S HN 0.441 nan 8.310 nan 0.000 0.466 119 E N 0.135 120.458 120.200 0.206 0.000 2.077 119 E HA -0.136 4.215 4.350 0.001 0.000 0.193 119 E C 1.858 178.572 176.600 0.189 0.000 0.989 119 E CA 1.557 58.072 56.400 0.192 0.000 0.800 119 E CB -0.078 29.701 29.700 0.132 0.000 0.746 119 E HN 0.432 nan 8.360 nan 0.000 0.452 120 T N -0.032 114.580 114.554 0.096 0.000 2.812 120 T HA -0.085 4.266 4.350 0.001 0.000 0.264 120 T C 1.904 176.592 174.700 -0.020 0.000 1.042 120 T CA 1.101 63.214 62.100 0.022 0.000 1.140 120 T CB -0.122 68.702 68.868 -0.073 0.000 0.870 120 T HN 0.017 nan 8.240 nan 0.000 0.445 121 V N 1.158 121.046 119.914 -0.042 0.000 2.287 121 V HA -0.194 3.927 4.120 0.001 0.000 0.248 121 V C 2.093 178.208 176.094 0.035 0.000 1.053 121 V CA 1.523 63.789 62.300 -0.056 0.000 1.027 121 V CB -0.747 31.030 31.823 -0.075 0.000 0.646 121 V HN 0.657 nan 8.190 nan 0.000 0.447 122 W N 1.308 122.597 121.300 -0.018 0.000 2.333 122 W HA -0.278 4.382 4.660 0.001 0.000 0.316 122 W C 2.699 179.227 176.519 0.015 0.000 1.215 122 W CA 2.321 59.683 57.345 0.029 0.000 1.278 122 W CB -0.387 29.136 29.460 0.105 0.000 1.154 122 W HN 0.134 nan 8.180 nan 0.000 0.486 123 R N 0.725 121.352 120.500 0.213 0.000 2.159 123 R HA -0.192 4.148 4.340 0.001 0.000 0.237 123 R C 2.498 178.772 176.300 -0.044 0.000 1.131 123 R CA 1.912 58.076 56.100 0.106 0.000 0.982 123 R CB -0.690 29.690 30.300 0.132 0.000 0.868 123 R HN 0.375 nan 8.270 nan 0.000 0.453 124 Q N -1.287 118.479 119.800 -0.057 0.000 2.083 124 Q HA -0.049 4.292 4.340 0.001 0.000 0.198 124 Q C 2.076 178.051 176.000 -0.042 0.000 0.969 124 Q CA 1.415 57.195 55.803 -0.040 0.000 0.838 124 Q CB -0.112 28.625 28.738 -0.002 0.000 0.900 124 Q HN 0.420 nan 8.270 nan 0.000 0.436 125 A N 1.212 123.935 122.820 -0.162 0.000 1.902 125 A HA -0.226 4.095 4.320 0.001 0.000 0.217 125 A C 1.849 179.295 177.584 -0.230 0.000 1.181 125 A CA 1.655 53.566 52.037 -0.209 0.000 0.623 125 A CB -0.375 18.398 19.000 -0.379 0.000 0.818 125 A HN 0.347 nan 8.150 nan 0.000 0.443 126 E N -0.472 119.531 120.200 -0.328 0.000 2.285 126 E HA -0.061 4.289 4.350 0.001 0.000 0.194 126 E C 1.871 178.365 176.600 -0.176 0.000 0.997 126 E CA 0.638 56.905 56.400 -0.222 0.000 0.845 126 E CB -0.061 29.528 29.700 -0.185 0.000 0.782 126 E HN 0.556 nan 8.360 nan 0.000 0.491 127 K N -0.453 119.808 120.400 -0.233 0.000 2.442 127 K HA -0.152 4.169 4.320 0.001 0.000 0.198 127 K C 0.113 176.337 176.600 -0.626 0.000 1.044 127 K CA 0.947 56.993 56.287 -0.402 0.000 0.948 127 K CB 0.136 32.350 32.500 -0.477 0.000 0.762 127 K HN 0.244 nan 8.250 nan 0.000 0.472 128 Y N -0.257 119.992 120.300 -0.085 0.000 2.675 128 Y HA 0.263 4.814 4.550 0.001 0.000 0.248 128 Y C -0.181 175.674 175.900 -0.075 0.000 1.161 128 Y CA -0.667 57.389 58.100 -0.074 0.000 1.203 128 Y CB 0.780 39.193 38.460 -0.079 0.000 1.262 128 Y HN -0.111 nan 8.280 nan 0.000 0.544 129 K N 0.470 120.875 120.400 0.008 0.000 3.069 129 K HA -0.168 4.153 4.320 0.001 0.000 0.267 129 K C -0.188 176.402 176.600 -0.017 0.000 1.082 129 K CA 0.784 57.065 56.287 -0.011 0.000 0.782 129 K CB -1.240 31.263 32.500 0.006 0.000 1.230 129 K HN 0.172 nan 8.250 nan 0.000 0.488 130 V N 0.582 120.474 119.914 -0.037 0.000 2.364 130 V HA 0.368 4.488 4.120 0.001 0.000 0.272 130 V C -2.266 173.774 176.094 -0.090 0.000 1.036 130 V CA -2.018 60.249 62.300 -0.054 0.000 0.880 130 V CB 1.054 32.844 31.823 -0.053 0.000 0.991 130 V HN -0.033 nan 8.190 nan 0.000 0.460 131 P HA 0.194 nan 4.420 nan 0.000 0.265 131 P C -0.943 176.323 177.300 -0.057 0.000 1.187 131 P CA 0.296 63.366 63.100 -0.050 0.000 0.766 131 P CB 0.200 31.888 31.700 -0.019 0.000 0.820 132 R N 3.185 123.659 120.500 -0.043 0.000 2.698 132 R HA 0.744 5.085 4.340 0.001 0.000 0.275 132 R C -0.774 175.578 176.300 0.086 0.000 1.001 132 R CA -1.022 55.069 56.100 -0.015 0.000 0.896 132 R CB 1.401 31.641 30.300 -0.101 0.000 1.218 132 R HN 0.425 nan 8.270 nan 0.000 0.462 133 I N -1.249 119.396 120.570 0.125 0.000 2.797 133 I HA 0.851 5.022 4.170 0.001 0.000 0.307 133 I C -0.483 175.795 176.117 0.269 0.000 1.033 133 I CA -1.289 60.149 61.300 0.231 0.000 1.071 133 I CB 2.268 40.435 38.000 0.279 0.000 1.255 133 I HN 0.789 nan 8.210 nan 0.000 0.445 134 A N 3.351 126.385 122.820 0.357 0.000 2.320 134 A HA 0.774 5.095 4.320 0.001 0.000 0.334 134 A C -1.339 176.511 177.584 0.444 0.000 1.147 134 A CA -0.373 51.892 52.037 0.380 0.000 0.820 134 A CB 1.088 20.382 19.000 0.491 0.000 1.218 134 A HN 0.676 nan 8.150 nan 0.000 0.482 135 F N 2.034 122.086 119.950 0.170 0.000 2.500 135 F HA 0.582 5.109 4.527 0.001 0.000 0.349 135 F C 0.242 176.117 175.800 0.125 0.000 1.127 135 F CA -1.031 57.048 58.000 0.132 0.000 0.998 135 F CB 1.247 40.274 39.000 0.045 0.000 1.237 135 F HN 0.658 nan 8.300 nan 0.000 0.439 136 A N 6.509 129.163 122.820 -0.276 0.000 2.539 136 A HA 0.217 4.537 4.320 0.001 0.000 0.306 136 A C 0.141 177.339 177.584 -0.643 0.000 1.392 136 A CA -0.305 51.547 52.037 -0.307 0.000 1.060 136 A CB -0.550 18.298 19.000 -0.255 0.000 1.134 136 A HN 0.875 nan 8.150 nan 0.000 0.542 137 N N 1.456 119.825 118.700 -0.550 0.000 2.413 137 N HA 0.197 4.938 4.740 0.001 0.000 0.266 137 N C -0.315 175.015 175.510 -0.300 0.000 1.238 137 N CA -0.452 52.277 53.050 -0.536 0.000 0.972 137 N CB 0.298 38.634 38.487 -0.252 0.000 1.210 137 N HN 0.545 nan 8.380 nan 0.000 0.547 138 K N 0.632 120.907 120.400 -0.209 0.000 3.129 138 K HA -0.141 4.179 4.320 0.001 0.000 0.273 138 K C 0.665 177.128 176.600 -0.229 0.000 1.123 138 K CA 0.180 56.377 56.287 -0.150 0.000 0.800 138 K CB -1.011 31.428 32.500 -0.102 0.000 1.238 138 K HN 0.640 nan 8.250 nan 0.000 0.492 139 M N 0.687 120.054 119.600 -0.388 0.000 2.539 139 M HA -0.120 4.361 4.480 0.001 0.000 0.261 139 M C 1.728 177.750 176.300 -0.464 0.000 1.069 139 M CA 1.663 56.569 55.300 -0.656 0.000 1.081 139 M CB -0.632 31.138 32.600 -1.383 0.000 1.412 139 M HN 0.354 nan 8.290 nan 0.000 0.482 140 D N -0.663 119.657 120.400 -0.134 0.000 2.323 140 D HA -0.062 4.578 4.640 0.001 0.000 0.209 140 D C 0.745 177.050 176.300 0.009 0.000 0.973 140 D CA 0.230 54.269 54.000 0.065 0.000 0.874 140 D CB 0.172 41.056 40.800 0.140 0.000 0.930 140 D HN 0.239 nan 8.370 nan 0.000 0.521 141 K N 1.121 121.495 120.400 -0.043 0.000 2.218 141 K HA 0.099 4.420 4.320 0.001 0.000 0.276 141 K C -0.114 176.464 176.600 -0.036 0.000 1.022 141 K CA -0.306 55.961 56.287 -0.034 0.000 0.946 141 K CB 1.132 33.603 32.500 -0.048 0.000 1.000 141 K HN -0.164 nan 8.250 nan 0.000 0.468 142 T N 2.032 116.576 114.554 -0.018 0.000 2.866 142 T HA 0.154 4.505 4.350 0.001 0.000 0.293 142 T C 1.044 175.728 174.700 -0.027 0.000 1.005 142 T CA 1.646 63.737 62.100 -0.014 0.000 1.162 142 T CB -0.253 68.612 68.868 -0.005 0.000 0.968 142 T HN 0.849 nan 8.240 nan 0.000 0.530 143 G N 3.328 112.112 108.800 -0.026 0.000 2.254 143 G HA2 -0.095 3.865 3.960 0.001 0.000 0.225 143 G HA3 -0.095 3.865 3.960 0.001 0.000 0.225 143 G C 0.449 175.316 174.900 -0.055 0.000 1.003 143 G CA -0.028 45.053 45.100 -0.033 0.000 0.622 143 G HN 1.554 nan 8.290 nan 0.000 0.507 144 A N 0.455 123.226 122.820 -0.082 0.000 2.573 144 A HA 0.420 4.741 4.320 0.001 0.000 0.250 144 A C 0.164 177.669 177.584 -0.133 0.000 1.049 144 A CA 1.727 53.683 52.037 -0.136 0.000 0.767 144 A CB 0.017 18.898 19.000 -0.198 0.000 0.965 144 A HN 0.919 nan 8.150 nan 0.000 0.514 145 D N 2.357 122.668 120.400 -0.149 0.000 2.763 145 D HA 0.197 4.838 4.640 0.001 0.000 0.235 145 D C 0.651 176.806 176.300 -0.241 0.000 1.334 145 D CA -0.611 53.309 54.000 -0.134 0.000 0.950 145 D CB 0.742 41.526 40.800 -0.026 0.000 1.433 145 D HN 0.296 nan 8.370 nan 0.000 0.580 146 L N 3.395 124.357 121.223 -0.435 0.000 2.079 146 L HA -0.066 4.274 4.340 0.001 0.000 0.210 146 L C 1.069 177.607 176.870 -0.553 0.000 1.081 146 L CA 1.417 55.882 54.840 -0.624 0.000 0.752 146 L CB -0.040 41.431 42.059 -0.980 0.000 0.896 146 L HN 0.582 nan 8.230 nan 0.000 0.433 147 W N -0.743 120.483 121.300 -0.123 0.000 2.436 147 W HA -0.182 4.479 4.660 0.001 0.000 0.284 147 W C 2.237 178.690 176.519 -0.111 0.000 1.225 147 W CA -0.094 57.188 57.345 -0.106 0.000 1.271 147 W CB -0.309 29.107 29.460 -0.074 0.000 1.114 147 W HN 0.117 nan 8.180 nan 0.000 0.559 148 L N 0.179 121.436 121.223 0.056 0.000 2.141 148 L HA -0.127 4.213 4.340 0.001 0.000 0.209 148 L C 2.084 178.885 176.870 -0.116 0.000 1.094 148 L CA 1.601 56.429 54.840 -0.020 0.000 0.763 148 L CB -0.868 41.172 42.059 -0.032 0.000 0.908 148 L HN -0.143 nan 8.230 nan 0.000 0.437 149 V N -0.326 119.474 119.914 -0.190 0.000 2.270 149 V HA -0.282 3.839 4.120 0.001 0.000 0.245 149 V C 2.489 178.396 176.094 -0.311 0.000 1.043 149 V CA 1.695 63.805 62.300 -0.317 0.000 1.014 149 V CB -0.562 31.054 31.823 -0.344 0.000 0.645 149 V HN 0.325 nan 8.190 nan 0.000 0.447 150 I N -0.052 120.396 120.570 -0.204 0.000 2.163 150 I HA -0.238 3.933 4.170 0.001 0.000 0.243 150 I C 2.649 178.709 176.117 -0.094 0.000 1.085 150 I CA 1.827 63.051 61.300 -0.126 0.000 1.347 150 I CB -1.238 36.768 38.000 0.011 0.000 1.044 150 I HN 0.305 nan 8.210 nan 0.000 0.408 151 R N 0.262 120.737 120.500 -0.041 0.000 2.092 151 R HA -0.129 4.212 4.340 0.001 0.000 0.231 151 R C 2.318 178.564 176.300 -0.091 0.000 1.119 151 R CA 2.016 58.096 56.100 -0.034 0.000 0.970 151 R CB -0.318 29.984 30.300 0.003 0.000 0.864 151 R HN 0.568 nan 8.270 nan 0.000 0.440 152 T N -1.719 112.752 114.554 -0.139 0.000 2.951 152 T HA -0.036 4.314 4.350 0.001 0.000 0.268 152 T C 1.876 176.430 174.700 -0.243 0.000 1.073 152 T CA 0.738 62.737 62.100 -0.168 0.000 1.134 152 T CB -0.015 68.749 68.868 -0.174 0.000 0.884 152 T HN 0.093 nan 8.240 nan 0.000 0.479 153 M N 0.694 120.102 119.600 -0.319 0.000 2.200 153 M HA -0.020 4.460 4.480 0.001 0.000 0.265 153 M C 2.710 178.840 176.300 -0.284 0.000 1.066 153 M CA 1.490 56.544 55.300 -0.409 0.000 1.127 153 M CB -0.383 31.948 32.600 -0.448 0.000 1.379 153 M HN 0.285 nan 8.290 nan 0.000 0.420 154 Q N -0.013 119.680 119.800 -0.178 0.000 2.020 154 Q HA -0.230 4.111 4.340 0.001 0.000 0.202 154 Q C 1.986 177.930 176.000 -0.094 0.000 0.982 154 Q CA 1.759 57.498 55.803 -0.106 0.000 0.838 154 Q CB -0.062 28.640 28.738 -0.059 0.000 0.899 154 Q HN 0.398 nan 8.270 nan 0.000 0.423 155 E N 0.325 120.470 120.200 -0.092 0.000 2.028 155 E HA -0.094 4.256 4.350 0.001 0.000 0.190 155 E C 1.920 178.481 176.600 -0.066 0.000 0.984 155 E CA 1.049 57.410 56.400 -0.065 0.000 0.800 155 E CB 0.212 29.879 29.700 -0.055 0.000 0.758 155 E HN 0.110 nan 8.360 nan 0.000 0.448 156 R N -0.577 119.868 120.500 -0.092 0.000 2.112 156 R HA 0.141 4.482 4.340 0.001 0.000 0.216 156 R C 2.080 178.328 176.300 -0.087 0.000 1.080 156 R CA 0.921 56.980 56.100 -0.069 0.000 0.996 156 R CB 0.097 30.358 30.300 -0.064 0.000 0.902 156 R HN 0.241 nan 8.270 nan 0.000 0.449 157 L N -0.844 120.265 121.223 -0.191 0.000 2.590 157 L HA 0.322 4.663 4.340 0.001 0.000 0.227 157 L C 0.875 177.668 176.870 -0.127 0.000 1.099 157 L CA 0.111 54.795 54.840 -0.260 0.000 0.872 157 L CB 0.221 41.808 42.059 -0.787 0.000 1.088 157 L HN 0.273 nan 8.230 nan 0.000 0.479 158 G N 1.345 110.086 108.800 -0.098 0.000 2.366 158 G HA2 -0.302 3.658 3.960 0.001 0.000 0.299 158 G HA3 -0.302 3.658 3.960 0.001 0.000 0.299 158 G C 0.897 175.796 174.900 -0.002 0.000 1.020 158 G CA 0.522 45.605 45.100 -0.029 0.000 1.026 158 G HN 0.485 nan 8.290 nan 0.000 0.512 159 A N 0.002 122.770 122.820 -0.086 0.000 2.081 159 A HA 0.513 4.833 4.320 0.001 0.000 0.214 159 A C 1.706 179.328 177.584 0.063 0.000 1.158 159 A CA 1.471 53.488 52.037 -0.033 0.000 0.724 159 A CB -0.017 18.771 19.000 -0.353 0.000 0.826 159 A HN 1.586 nan 8.150 nan 0.000 0.463 160 R N -0.652 119.862 120.500 0.023 0.000 2.974 160 R HA -0.117 4.223 4.340 0.001 0.000 0.258 160 R C -2.592 173.733 176.300 0.042 0.000 0.892 160 R CA 0.438 56.565 56.100 0.043 0.000 0.664 160 R CB -1.252 29.096 30.300 0.081 0.000 1.478 160 R HN 0.327 nan 8.270 nan 0.000 0.498 161 P HA 0.110 nan 4.420 nan 0.000 0.275 161 P C -0.446 176.851 177.300 -0.004 0.000 1.227 161 P CA -0.187 62.905 63.100 -0.012 0.000 0.781 161 P CB 1.269 32.932 31.700 -0.062 0.000 0.906 162 V N 3.898 123.791 119.914 -0.036 0.000 2.384 162 V HA 0.115 4.235 4.120 0.001 0.000 0.287 162 V C 0.466 176.499 176.094 -0.102 0.000 1.020 162 V CA -0.869 61.403 62.300 -0.046 0.000 0.850 162 V CB 1.863 33.642 31.823 -0.074 0.000 0.987 162 V HN 0.255 nan 8.190 nan 0.000 0.436 163 V N 7.094 126.991 119.914 -0.028 0.000 2.403 163 V HA 0.066 4.187 4.120 0.001 0.000 0.265 163 V C 1.142 177.169 176.094 -0.112 0.000 1.034 163 V CA 0.349 62.600 62.300 -0.082 0.000 1.036 163 V CB 0.591 32.420 31.823 0.010 0.000 1.032 163 V HN 0.802 nan 8.190 nan 0.000 0.478 164 M N 3.216 122.652 119.600 -0.272 0.000 2.492 164 M HA 0.271 4.752 4.480 0.001 0.000 0.255 164 M C 0.531 176.752 176.300 -0.133 0.000 1.139 164 M CA 0.714 55.842 55.300 -0.286 0.000 1.096 164 M CB 0.018 32.171 32.600 -0.744 0.000 1.360 164 M HN 0.617 nan 8.290 nan 0.000 0.480 165 Q N 0.027 119.743 119.800 -0.140 0.000 2.435 165 Q HA 0.610 4.950 4.340 0.001 0.000 0.282 165 Q C -1.794 174.146 176.000 -0.099 0.000 1.020 165 Q CA -0.722 55.061 55.803 -0.034 0.000 0.820 165 Q CB 3.189 31.947 28.738 0.033 0.000 1.436 165 Q HN -0.027 nan 8.270 nan 0.000 0.395 166 L N 2.194 123.395 121.223 -0.037 0.000 2.401 166 L HA 0.623 4.964 4.340 0.001 0.000 0.266 166 L C -2.495 174.365 176.870 -0.018 0.000 0.991 166 L CA -2.040 52.756 54.840 -0.073 0.000 0.818 166 L CB 1.763 43.831 42.059 0.016 0.000 1.321 166 L HN 0.457 nan 8.230 nan 0.000 0.413 167 P HA 0.359 nan 4.420 nan 0.000 0.282 167 P C -0.739 176.569 177.300 0.012 0.000 1.249 167 P CA -0.295 62.872 63.100 0.112 0.000 0.806 167 P CB 1.162 32.890 31.700 0.047 0.000 0.984 168 I N 1.704 122.276 120.570 0.003 0.000 2.336 168 I HA 0.499 4.669 4.170 0.001 0.000 0.292 168 I C 1.103 177.286 176.117 0.111 0.000 0.991 168 I CA 0.071 61.240 61.300 -0.218 0.000 1.227 168 I CB 0.666 38.497 38.000 -0.281 0.000 1.366 168 I HN 0.666 nan 8.210 nan 0.000 0.466 169 G N 5.561 114.501 108.800 0.234 0.000 2.782 169 G HA2 -0.196 3.764 3.960 0.001 0.000 0.228 169 G HA3 -0.196 3.764 3.960 0.001 0.000 0.228 169 G C -0.712 174.352 174.900 0.273 0.000 1.372 169 G CA -0.675 44.579 45.100 0.257 0.000 0.862 169 G HN 0.758 nan 8.290 nan 0.000 0.547 170 R N -0.068 120.562 120.500 0.218 0.000 2.584 170 R HA 0.517 4.857 4.340 0.001 0.000 0.276 170 R C 0.689 177.064 176.300 0.124 0.000 1.046 170 R CA 0.130 56.319 56.100 0.149 0.000 0.906 170 R CB 1.295 31.664 30.300 0.115 0.000 1.215 170 R HN 1.015 nan 8.270 nan 0.000 0.449 171 E N 0.710 120.949 120.200 0.066 0.000 3.401 171 E HA -0.401 3.950 4.350 0.001 0.000 0.352 171 E C 0.335 177.001 176.600 0.110 0.000 1.523 171 E CA 1.917 58.348 56.400 0.051 0.000 1.794 171 E CB -0.547 29.171 29.700 0.030 0.000 1.792 171 E HN 0.940 nan 8.360 nan 0.000 0.471 172 D N 0.371 120.819 120.400 0.080 0.000 2.280 172 D HA -0.207 4.433 4.640 0.001 0.000 0.206 172 D C 1.492 177.852 176.300 0.101 0.000 0.988 172 D CA 2.280 56.330 54.000 0.082 0.000 0.886 172 D CB -0.651 40.182 40.800 0.055 0.000 0.914 172 D HN 0.523 nan 8.370 nan 0.000 0.473 173 T N -3.141 111.484 114.554 0.118 0.000 3.122 173 T HA 0.092 4.443 4.350 0.001 0.000 0.250 173 T C 0.460 175.256 174.700 0.160 0.000 1.067 173 T CA -0.861 61.309 62.100 0.117 0.000 0.966 173 T CB -0.870 68.062 68.868 0.107 0.000 1.002 173 T HN 0.065 nan 8.240 nan 0.000 0.542 174 F N 4.068 124.039 119.950 0.035 0.000 2.538 174 F HA 0.380 4.907 4.527 0.001 0.000 0.382 174 F C 1.021 176.851 175.800 0.050 0.000 1.069 174 F CA -0.559 57.458 58.000 0.030 0.000 1.138 174 F CB 0.497 39.496 39.000 -0.001 0.000 1.068 174 F HN 0.246 nan 8.300 nan 0.000 0.556 175 S N 2.874 118.356 115.700 -0.363 0.000 2.728 175 S HA 0.573 5.044 4.470 0.001 0.000 0.257 175 S C 0.351 174.822 174.600 -0.214 0.000 1.060 175 S CA 0.077 58.111 58.200 -0.277 0.000 1.126 175 S CB 0.074 63.233 63.200 -0.069 0.000 1.099 175 S HN 0.976 nan 8.310 nan 0.000 0.617 176 G N 0.529 109.143 108.800 -0.310 0.000 2.623 176 G HA2 0.679 4.640 3.960 0.001 0.000 0.290 176 G HA3 0.679 4.640 3.960 0.001 0.000 0.290 176 G C -2.075 172.849 174.900 0.040 0.000 1.437 176 G CA -0.784 44.291 45.100 -0.041 0.000 0.798 176 G HN 0.265 nan 8.290 nan 0.000 0.488 177 I N 0.218 120.898 120.570 0.184 0.000 2.619 177 I HA 0.399 4.570 4.170 0.001 0.000 0.292 177 I C -0.700 175.546 176.117 0.215 0.000 1.100 177 I CA -0.683 60.762 61.300 0.241 0.000 1.043 177 I CB 2.583 40.790 38.000 0.346 0.000 1.239 177 I HN 0.254 nan 8.210 nan 0.000 0.420 178 I N 4.461 125.110 120.570 0.131 0.000 2.321 178 I HA 0.185 4.355 4.170 0.001 0.000 0.291 178 I C -0.330 175.892 176.117 0.176 0.000 0.998 178 I CA -0.343 61.027 61.300 0.117 0.000 1.227 178 I CB 1.076 39.103 38.000 0.044 0.000 1.368 178 I HN 0.493 nan 8.210 nan 0.000 0.466 179 D N 6.673 127.217 120.400 0.240 0.000 2.365 179 D HA 0.081 4.722 4.640 0.001 0.000 0.237 179 D C 0.890 177.310 176.300 0.201 0.000 1.190 179 D CA -0.336 53.816 54.000 0.254 0.000 0.867 179 D CB 1.534 42.545 40.800 0.352 0.000 1.050 179 D HN 0.383 nan 8.370 nan 0.000 0.491 180 V N 2.919 122.944 119.914 0.186 0.000 3.541 180 V HA -0.011 4.109 4.120 0.001 0.000 0.267 180 V C 1.747 178.037 176.094 0.326 0.000 1.213 180 V CA 0.110 62.546 62.300 0.227 0.000 1.149 180 V CB -0.247 31.713 31.823 0.228 0.000 0.822 180 V HN 0.423 nan 8.190 nan 0.000 0.462 181 L N 1.715 123.097 121.223 0.265 0.000 2.023 181 L HA 0.136 4.477 4.340 0.001 0.000 0.205 181 L C 2.487 179.535 176.870 0.296 0.000 1.073 181 L CA 1.948 56.955 54.840 0.279 0.000 0.745 181 L CB -0.854 41.350 42.059 0.241 0.000 0.900 181 L HN 0.322 nan 8.230 nan 0.000 0.435 182 R N -1.205 119.427 120.500 0.221 0.000 2.334 182 R HA 0.181 4.521 4.340 0.001 0.000 0.216 182 R C 0.145 176.498 176.300 0.089 0.000 0.905 182 R CA -0.244 55.948 56.100 0.154 0.000 1.064 182 R CB 0.179 30.571 30.300 0.154 0.000 1.046 182 R HN 0.190 nan 8.270 nan 0.000 0.508 183 M N 1.273 120.929 119.600 0.093 0.000 2.212 183 M HA -0.227 4.254 4.480 0.001 0.000 0.193 183 M C -0.895 175.411 176.300 0.011 0.000 0.493 183 M CA 1.381 56.700 55.300 0.032 0.000 0.427 183 M CB -1.757 30.803 32.600 -0.066 0.000 1.120 183 M HN 0.122 nan 8.290 nan 0.000 0.929 184 K N -0.401 120.014 120.400 0.025 0.000 2.395 184 K HA 0.894 5.215 4.320 0.001 0.000 0.247 184 K C -0.207 176.312 176.600 -0.135 0.000 0.973 184 K CA -0.399 55.836 56.287 -0.087 0.000 0.828 184 K CB 2.409 34.841 32.500 -0.114 0.000 1.272 184 K HN 0.363 nan 8.250 nan 0.000 0.439 185 A N 1.441 124.073 122.820 -0.313 0.000 2.386 185 A HA 0.783 5.103 4.320 0.001 0.000 0.308 185 A C -1.734 175.480 177.584 -0.617 0.000 1.128 185 A CA -0.569 51.308 52.037 -0.267 0.000 0.789 185 A CB 0.731 19.651 19.000 -0.134 0.000 1.325 185 A HN 0.628 nan 8.150 nan 0.000 0.437 186 Y N -0.776 119.474 120.300 -0.084 0.000 2.492 186 Y HA 0.651 5.202 4.550 0.001 0.000 0.346 186 Y C 0.364 176.071 175.900 -0.321 0.000 0.997 186 Y CA -0.457 57.513 58.100 -0.216 0.000 1.025 186 Y CB 2.699 41.023 38.460 -0.227 0.000 1.263 186 Y HN 0.655 nan 8.280 nan 0.000 0.454 187 T N 2.063 116.429 114.554 -0.315 0.000 2.876 187 T HA 0.603 4.954 4.350 0.001 0.000 0.289 187 T C -1.783 172.634 174.700 -0.472 0.000 1.014 187 T CA -0.586 61.340 62.100 -0.290 0.000 0.986 187 T CB 0.480 69.266 68.868 -0.137 0.000 1.021 187 T HN 0.439 nan 8.240 nan 0.000 0.458 188 Y N 2.217 122.490 120.300 -0.044 0.000 2.328 188 Y HA 0.494 5.044 4.550 0.001 0.000 0.337 188 Y C 1.323 177.211 175.900 -0.021 0.000 0.966 188 Y CA -0.770 57.316 58.100 -0.025 0.000 1.136 188 Y CB 1.916 40.343 38.460 -0.055 0.000 1.170 188 Y HN 0.809 nan 8.280 nan 0.000 0.470 189 G N 2.238 111.103 108.800 0.108 0.000 2.430 189 G HA2 -0.096 3.864 3.960 0.001 0.000 0.216 189 G HA3 -0.096 3.864 3.960 0.001 0.000 0.216 189 G C 0.251 175.195 174.900 0.073 0.000 1.146 189 G CA 0.610 45.750 45.100 0.066 0.000 0.793 189 G HN 0.678 nan 8.290 nan 0.000 0.537 190 N N -1.345 117.413 118.700 0.097 0.000 3.229 190 N HA 0.345 5.086 4.740 0.001 0.000 0.315 190 N C -1.043 174.514 175.510 0.078 0.000 1.520 190 N CA -0.760 52.334 53.050 0.073 0.000 0.769 190 N CB 0.585 39.109 38.487 0.061 0.000 1.766 190 N HN -0.230 nan 8.380 nan 0.000 0.618 191 D N -0.688 119.742 120.400 0.049 0.000 2.463 191 D HA 0.272 4.912 4.640 0.001 0.000 0.224 191 D C 0.418 176.733 176.300 0.025 0.000 1.174 191 D CA 0.134 54.154 54.000 0.033 0.000 0.829 191 D CB 0.100 40.911 40.800 0.019 0.000 0.993 191 D HN 0.424 nan 8.370 nan 0.000 0.497 192 L N -0.890 120.358 121.223 0.042 0.000 2.731 192 L HA 0.277 4.618 4.340 0.001 0.000 0.240 192 L C 1.329 178.215 176.870 0.027 0.000 1.120 192 L CA 0.120 54.962 54.840 0.003 0.000 0.913 192 L CB 0.479 42.539 42.059 0.002 0.000 1.213 192 L HN 0.121 nan 8.230 nan 0.000 0.515 193 G N 1.137 110.026 108.800 0.147 0.000 2.147 193 G HA2 -0.296 3.665 3.960 0.001 0.000 0.244 193 G HA3 -0.296 3.665 3.960 0.001 0.000 0.244 193 G C 0.639 175.729 174.900 0.317 0.000 1.005 193 G CA 0.622 45.913 45.100 0.318 0.000 0.713 193 G HN 0.376 nan 8.290 nan 0.000 0.515 194 T N -3.600 111.080 114.554 0.210 0.000 3.132 194 T HA 0.475 4.826 4.350 0.001 0.000 0.274 194 T C -0.004 174.785 174.700 0.150 0.000 1.011 194 T CA 0.586 62.793 62.100 0.179 0.000 0.899 194 T CB 0.971 69.912 68.868 0.121 0.000 1.089 194 T HN 0.291 nan 8.240 nan 0.000 0.543 195 D N 0.842 121.342 120.400 0.167 0.000 2.445 195 D HA 0.297 4.938 4.640 0.001 0.000 0.236 195 D C -1.439 174.925 176.300 0.105 0.000 1.315 195 D CA -0.389 53.681 54.000 0.117 0.000 0.924 195 D CB 0.749 41.601 40.800 0.087 0.000 1.447 195 D HN 0.453 nan 8.370 nan 0.000 0.532 196 I N 2.233 122.849 120.570 0.076 0.000 2.474 196 I HA 0.564 4.734 4.170 0.001 0.000 0.294 196 I C -1.014 175.079 176.117 -0.040 0.000 1.005 196 I CA -0.662 60.617 61.300 -0.035 0.000 1.113 196 I CB 0.923 38.946 38.000 0.037 0.000 1.289 196 I HN 0.140 nan 8.210 nan 0.000 0.436 197 R N 5.596 126.031 120.500 -0.108 0.000 2.538 197 R HA 0.272 4.612 4.340 0.001 0.000 0.292 197 R C -1.164 175.079 176.300 -0.095 0.000 1.008 197 R CA -0.777 55.284 56.100 -0.065 0.000 0.896 197 R CB 2.099 32.357 30.300 -0.070 0.000 1.187 197 R HN 0.591 nan 8.270 nan 0.000 0.440 198 E N 3.999 124.144 120.200 -0.091 0.000 2.414 198 E HA 0.173 4.524 4.350 0.001 0.000 0.263 198 E C -0.514 175.949 176.600 -0.228 0.000 1.000 198 E CA -0.112 56.118 56.400 -0.284 0.000 0.914 198 E CB 0.552 30.106 29.700 -0.243 0.000 0.948 198 E HN 0.471 nan 8.360 nan 0.000 0.444 199 I N 0.908 121.312 120.570 -0.277 0.000 3.074 199 I HA 0.597 4.767 4.170 0.001 0.000 0.310 199 I C -2.642 173.382 176.117 -0.155 0.000 1.153 199 I CA -3.125 58.074 61.300 -0.168 0.000 0.993 199 I CB 1.961 39.885 38.000 -0.126 0.000 1.237 199 I HN 0.303 nan 8.210 nan 0.000 0.443 200 P HA 0.308 nan 4.420 nan 0.000 0.271 200 P C -0.468 176.804 177.300 -0.046 0.000 1.218 200 P CA -0.132 62.930 63.100 -0.064 0.000 0.780 200 P CB 0.453 32.133 31.700 -0.033 0.000 0.901 201 I N 3.696 124.252 120.570 -0.025 0.000 2.752 201 I HA 0.003 4.174 4.170 0.001 0.000 0.286 201 I C -1.749 174.405 176.117 0.063 0.000 1.180 201 I CA -1.361 59.948 61.300 0.014 0.000 1.404 201 I CB -0.424 37.602 38.000 0.045 0.000 1.389 201 I HN 0.189 nan 8.210 nan 0.000 0.549 202 P HA -0.009 nan 4.420 nan 0.000 0.269 202 P C 0.598 178.007 177.300 0.181 0.000 1.209 202 P CA -0.135 63.052 63.100 0.144 0.000 0.776 202 P CB 0.735 32.562 31.700 0.212 0.000 0.876 203 E N 2.562 122.829 120.200 0.112 0.000 2.130 203 E HA -0.256 4.095 4.350 0.001 0.000 0.196 203 E C 1.381 178.021 176.600 0.068 0.000 0.998 203 E CA 1.581 58.028 56.400 0.078 0.000 0.806 203 E CB -0.346 29.381 29.700 0.045 0.000 0.738 203 E HN 0.495 nan 8.360 nan 0.000 0.459 204 E N -0.744 119.483 120.200 0.044 0.000 2.511 204 E HA -0.166 4.185 4.350 0.001 0.000 0.196 204 E C 0.515 177.001 176.600 -0.189 0.000 1.066 204 E CA 0.568 56.918 56.400 -0.084 0.000 0.871 204 E CB -0.321 29.284 29.700 -0.158 0.000 0.863 204 E HN 0.508 nan 8.360 nan 0.000 0.520 205 Y N -0.340 119.997 120.300 0.061 0.000 2.481 205 Y HA 0.162 4.713 4.550 0.001 0.000 0.247 205 Y C 1.640 177.591 175.900 0.085 0.000 1.151 205 Y CA -0.396 57.753 58.100 0.082 0.000 1.238 205 Y CB 0.576 39.087 38.460 0.086 0.000 1.179 205 Y HN 0.005 nan 8.280 nan 0.000 0.524 206 L N 0.507 121.840 121.223 0.183 0.000 2.056 206 L HA -0.157 4.184 4.340 0.001 0.000 0.207 206 L C 1.403 178.347 176.870 0.124 0.000 1.078 206 L CA 1.868 56.789 54.840 0.135 0.000 0.749 206 L CB -0.644 41.467 42.059 0.088 0.000 0.901 206 L HN 0.122 nan 8.230 nan 0.000 0.433 207 D N -1.205 119.256 120.400 0.102 0.000 2.097 207 D HA -0.220 4.420 4.640 0.001 0.000 0.197 207 D C 2.105 178.487 176.300 0.136 0.000 0.984 207 D CA 1.093 55.147 54.000 0.089 0.000 0.826 207 D CB -0.049 40.782 40.800 0.053 0.000 0.973 207 D HN 0.432 nan 8.370 nan 0.000 0.460 208 Q N 0.118 120.028 119.800 0.183 0.000 2.124 208 Q HA -0.124 4.216 4.340 0.001 0.000 0.202 208 Q C 1.971 178.201 176.000 0.384 0.000 0.977 208 Q CA 1.481 57.463 55.803 0.300 0.000 0.850 208 Q CB -0.028 28.896 28.738 0.309 0.000 0.901 208 Q HN 0.214 nan 8.270 nan 0.000 0.429 209 A N 0.900 123.897 122.820 0.295 0.000 1.898 209 A HA -0.173 4.148 4.320 0.001 0.000 0.216 209 A C 2.054 179.791 177.584 0.255 0.000 1.181 209 A CA 1.341 53.541 52.037 0.272 0.000 0.620 209 A CB -0.435 18.685 19.000 0.200 0.000 0.819 209 A HN 0.343 nan 8.150 nan 0.000 0.442 210 R N -0.647 119.965 120.500 0.188 0.000 2.083 210 R HA -0.158 4.182 4.340 0.001 0.000 0.237 210 R C 2.354 178.759 176.300 0.174 0.000 1.137 210 R CA 1.593 57.788 56.100 0.157 0.000 0.951 210 R CB -0.323 30.038 30.300 0.101 0.000 0.851 210 R HN 0.771 nan 8.270 nan 0.000 0.434 211 E N -0.136 120.144 120.200 0.133 0.000 2.077 211 E HA -0.215 4.135 4.350 0.001 0.000 0.193 211 E C 1.513 178.069 176.600 -0.074 0.000 0.989 211 E CA 1.357 57.762 56.400 0.008 0.000 0.800 211 E CB -0.009 29.657 29.700 -0.057 0.000 0.746 211 E HN 0.400 nan 8.360 nan 0.000 0.452 212 Y N -0.940 119.444 120.300 0.140 0.000 2.395 212 Y HA -0.110 4.441 4.550 0.001 0.000 0.293 212 Y C 2.299 178.271 175.900 0.121 0.000 1.123 212 Y CA 1.396 59.577 58.100 0.134 0.000 1.227 212 Y CB -0.363 38.201 38.460 0.173 0.000 1.012 212 Y HN 0.284 nan 8.280 nan 0.000 0.552 213 H N 0.456 119.635 119.070 0.182 0.000 2.319 213 H HA -0.149 4.407 4.556 0.001 0.000 0.299 213 H C 1.965 177.335 175.328 0.070 0.000 1.092 213 H CA 2.140 58.259 56.048 0.118 0.000 1.302 213 H CB 0.185 30.014 29.762 0.111 0.000 1.373 213 H HN 0.092 nan 8.280 nan 0.000 0.497 214 E N 0.731 120.985 120.200 0.090 0.000 2.110 214 E HA -0.142 4.209 4.350 0.001 0.000 0.193 214 E C 2.206 178.752 176.600 -0.089 0.000 0.988 214 E CA 0.962 57.387 56.400 0.041 0.000 0.804 214 E CB -0.119 29.668 29.700 0.145 0.000 0.745 214 E HN 0.539 nan 8.360 nan 0.000 0.458 215 K N 0.757 121.107 120.400 -0.083 0.000 2.032 215 K HA -0.101 4.219 4.320 0.001 0.000 0.209 215 K C 2.333 178.865 176.600 -0.114 0.000 1.048 215 K CA 0.937 57.162 56.287 -0.103 0.000 0.927 215 K CB -0.280 32.163 32.500 -0.096 0.000 0.712 215 K HN 0.071 nan 8.250 nan 0.000 0.441 216 L N 0.836 122.002 121.223 -0.095 0.000 2.046 216 L HA -0.183 4.157 4.340 0.001 0.000 0.208 216 L C 2.003 178.760 176.870 -0.188 0.000 1.077 216 L CA 1.095 55.868 54.840 -0.111 0.000 0.747 216 L CB -0.112 41.897 42.059 -0.083 0.000 0.896 216 L HN -0.030 nan 8.230 nan 0.000 0.432 217 V N 0.176 119.906 119.914 -0.306 0.000 2.332 217 V HA -0.323 3.797 4.120 0.001 0.000 0.248 217 V C 2.496 178.334 176.094 -0.427 0.000 1.055 217 V CA 2.229 64.334 62.300 -0.324 0.000 1.038 217 V CB -0.671 30.965 31.823 -0.312 0.000 0.651 217 V HN 0.572 nan 8.190 nan 0.000 0.450 218 E N 0.002 119.855 120.200 -0.578 0.000 2.077 218 E HA -0.195 4.155 4.350 0.001 0.000 0.193 218 E C 2.179 178.611 176.600 -0.280 0.000 0.989 218 E CA 1.642 57.667 56.400 -0.626 0.000 0.800 218 E CB -0.001 29.413 29.700 -0.477 0.000 0.746 218 E HN 0.462 nan 8.360 nan 0.000 0.452 219 V N 1.152 120.975 119.914 -0.152 0.000 2.295 219 V HA -0.266 3.854 4.120 0.001 0.000 0.246 219 V C 2.465 178.605 176.094 0.077 0.000 1.049 219 V CA 1.850 64.142 62.300 -0.013 0.000 1.024 219 V CB -0.847 31.007 31.823 0.053 0.000 0.648 219 V HN 0.420 nan 8.190 nan 0.000 0.447 220 A N 0.094 122.941 122.820 0.045 0.000 1.933 220 A HA -0.104 4.216 4.320 0.001 0.000 0.218 220 A C 2.402 180.037 177.584 0.085 0.000 1.175 220 A CA 1.945 54.060 52.037 0.130 0.000 0.628 220 A CB -0.775 18.252 19.000 0.044 0.000 0.814 220 A HN 0.598 nan 8.150 nan 0.000 0.444 221 A N -0.248 122.541 122.820 -0.053 0.000 2.024 221 A HA -0.194 4.126 4.320 0.001 0.000 0.220 221 A C 1.674 179.196 177.584 -0.102 0.000 1.164 221 A CA 1.700 53.697 52.037 -0.067 0.000 0.643 221 A CB -0.488 18.438 19.000 -0.124 0.000 0.806 221 A HN 0.508 nan 8.150 nan 0.000 0.451 222 D N -1.473 118.797 120.400 -0.217 0.000 2.312 222 D HA -0.031 4.609 4.640 0.001 0.000 0.211 222 D C 0.608 176.529 176.300 -0.632 0.000 0.964 222 D CA 0.950 54.672 54.000 -0.463 0.000 0.877 222 D CB -0.061 40.321 40.800 -0.698 0.000 0.924 222 D HN 0.571 nan 8.370 nan 0.000 0.515 223 F N -0.163 119.785 119.950 -0.004 0.000 2.706 223 F HA 0.208 4.736 4.527 0.001 0.000 0.308 223 F C 0.448 176.258 175.800 0.016 0.000 1.095 223 F CA -0.379 57.626 58.000 0.010 0.000 1.244 223 F CB 0.899 39.907 39.000 0.013 0.000 1.063 223 F HN -0.318 nan 8.300 nan 0.000 0.582 224 D N -0.208 120.263 120.400 0.120 0.000 2.602 224 D HA 0.175 4.816 4.640 0.001 0.000 0.245 224 D C 0.624 176.953 176.300 0.048 0.000 1.325 224 D CA -0.040 54.014 54.000 0.089 0.000 0.952 224 D CB 1.454 42.314 40.800 0.099 0.000 1.317 224 D HN -0.087 nan 8.370 nan 0.000 0.577 225 E N 1.696 121.919 120.200 0.038 0.000 2.070 225 E HA -0.190 4.160 4.350 0.001 0.000 0.197 225 E C 1.317 177.941 176.600 0.040 0.000 1.004 225 E CA 1.572 57.990 56.400 0.030 0.000 0.805 225 E CB -0.034 29.682 29.700 0.027 0.000 0.744 225 E HN 0.558 nan 8.360 nan 0.000 0.451 226 N N -0.144 118.583 118.700 0.045 0.000 2.137 226 N HA -0.172 4.569 4.740 0.001 0.000 0.190 226 N C 1.732 177.278 175.510 0.059 0.000 1.017 226 N CA 1.099 54.179 53.050 0.049 0.000 0.859 226 N CB -0.159 38.357 38.487 0.049 0.000 1.002 226 N HN 0.140 nan 8.380 nan 0.000 0.428 227 I N 0.535 121.141 120.570 0.061 0.000 2.286 227 I HA -0.221 3.949 4.170 0.001 0.000 0.245 227 I C 2.482 178.652 176.117 0.088 0.000 1.104 227 I CA 0.754 62.094 61.300 0.066 0.000 1.397 227 I CB -0.180 37.850 38.000 0.050 0.000 1.072 227 I HN 0.224 nan 8.210 nan 0.000 0.417 228 M N 0.761 120.406 119.600 0.075 0.000 2.149 228 M HA -0.257 4.223 4.480 0.001 0.000 0.261 228 M C 2.268 178.655 176.300 0.145 0.000 1.064 228 M CA 1.871 57.242 55.300 0.119 0.000 1.102 228 M CB -0.032 32.610 32.600 0.069 0.000 1.369 228 M HN 0.237 nan 8.290 nan 0.000 0.408 229 L N 0.159 121.437 121.223 0.092 0.000 2.005 229 L HA -0.250 4.091 4.340 0.001 0.000 0.207 229 L C 2.308 179.224 176.870 0.078 0.000 1.072 229 L CA 1.667 56.548 54.840 0.068 0.000 0.744 229 L CB -0.375 41.713 42.059 0.049 0.000 0.895 229 L HN 0.283 nan 8.230 nan 0.000 0.433 230 K N -1.111 119.345 120.400 0.093 0.000 2.063 230 K HA -0.276 4.044 4.320 0.001 0.000 0.208 230 K C 2.093 178.776 176.600 0.138 0.000 1.048 230 K CA 1.846 58.192 56.287 0.099 0.000 0.928 230 K CB -0.609 31.951 32.500 0.100 0.000 0.713 230 K HN 0.274 nan 8.250 nan 0.000 0.442 231 Y N 1.903 122.216 120.300 0.020 0.000 2.114 231 Y HA -0.245 4.306 4.550 0.001 0.000 0.282 231 Y C 1.942 177.848 175.900 0.011 0.000 1.165 231 Y CA 1.243 59.352 58.100 0.016 0.000 1.148 231 Y CB -0.383 38.080 38.460 0.005 0.000 0.972 231 Y HN -0.094 nan 8.280 nan 0.000 0.504 232 L N 0.581 121.763 121.223 -0.069 0.000 2.083 232 L HA -0.164 4.176 4.340 0.001 0.000 0.209 232 L C 2.200 179.005 176.870 -0.109 0.000 1.083 232 L CA 1.775 56.522 54.840 -0.155 0.000 0.752 232 L CB -1.035 40.992 42.059 -0.053 0.000 0.899 232 L HN 0.331 nan 8.230 nan 0.000 0.433 233 E N -1.300 118.875 120.200 -0.041 0.000 2.442 233 E HA 0.102 4.453 4.350 0.001 0.000 0.195 233 E C 1.230 177.819 176.600 -0.019 0.000 1.030 233 E CA 0.542 56.929 56.400 -0.023 0.000 0.869 233 E CB 0.098 29.801 29.700 0.004 0.000 0.857 233 E HN 0.531 nan 8.360 nan 0.000 0.505 234 G N 2.649 111.437 108.800 -0.020 0.000 2.136 234 G HA2 -0.310 3.651 3.960 0.001 0.000 0.242 234 G HA3 -0.310 3.651 3.960 0.001 0.000 0.242 234 G C -0.020 174.910 174.900 0.049 0.000 0.989 234 G CA 0.419 45.523 45.100 0.006 0.000 0.682 234 G HN 0.333 nan 8.290 nan 0.000 0.522 235 E N 0.295 120.532 120.200 0.063 0.000 2.301 235 E HA 0.466 4.816 4.350 0.001 0.000 0.275 235 E C 0.102 176.767 176.600 0.108 0.000 1.030 235 E CA -0.648 55.796 56.400 0.074 0.000 0.852 235 E CB 0.546 30.283 29.700 0.061 0.000 1.060 235 E HN 0.172 nan 8.360 nan 0.000 0.401 236 E N 4.969 125.233 120.200 0.107 0.000 2.290 236 E HA 0.214 4.564 4.350 0.001 0.000 0.277 236 E C -2.377 174.295 176.600 0.120 0.000 1.035 236 E CA -1.880 54.603 56.400 0.137 0.000 0.873 236 E CB 0.824 30.596 29.700 0.120 0.000 1.029 236 E HN 0.240 nan 8.360 nan 0.000 0.419 237 P HA 0.185 nan 4.420 nan 0.000 0.274 237 P C -0.891 176.473 177.300 0.106 0.000 1.256 237 P CA -0.537 62.625 63.100 0.104 0.000 0.795 237 P CB 0.509 32.264 31.700 0.093 0.000 1.038 238 T N -3.578 111.029 114.554 0.089 0.000 2.909 238 T HA 0.180 4.530 4.350 0.001 0.000 0.289 238 T C 1.131 175.888 174.700 0.095 0.000 1.005 238 T CA -0.576 61.574 62.100 0.084 0.000 1.084 238 T CB 0.906 69.813 68.868 0.066 0.000 0.975 238 T HN 0.513 nan 8.240 nan 0.000 0.509 239 E N 0.912 121.171 120.200 0.097 0.000 2.108 239 E HA -0.314 4.037 4.350 0.001 0.000 0.203 239 E C 1.574 178.231 176.600 0.096 0.000 1.022 239 E CA 2.014 58.478 56.400 0.107 0.000 0.823 239 E CB -0.026 29.730 29.700 0.093 0.000 0.744 239 E HN 0.811 nan 8.360 nan 0.000 0.456 240 E N 0.525 120.769 120.200 0.075 0.000 2.051 240 E HA -0.172 4.178 4.350 0.001 0.000 0.192 240 E C 1.968 178.612 176.600 0.073 0.000 0.991 240 E CA 1.376 57.814 56.400 0.063 0.000 0.799 240 E CB -0.119 29.611 29.700 0.049 0.000 0.748 240 E HN 0.340 nan 8.360 nan 0.000 0.449 241 E N 0.132 120.378 120.200 0.075 0.000 2.058 241 E HA -0.188 4.163 4.350 0.001 0.000 0.194 241 E C 2.134 178.790 176.600 0.093 0.000 0.997 241 E CA 0.955 57.402 56.400 0.078 0.000 0.801 241 E CB -0.158 29.586 29.700 0.074 0.000 0.746 241 E HN 0.191 nan 8.360 nan 0.000 0.450 242 L N 0.322 121.606 121.223 0.102 0.000 1.994 242 L HA -0.205 4.135 4.340 0.001 0.000 0.208 242 L C 2.533 179.497 176.870 0.157 0.000 1.071 242 L CA 0.845 55.752 54.840 0.111 0.000 0.745 242 L CB -0.516 41.608 42.059 0.110 0.000 0.892 242 L HN 0.066 nan 8.230 nan 0.000 0.431 243 V N 0.222 120.249 119.914 0.188 0.000 2.282 243 V HA -0.362 3.758 4.120 0.001 0.000 0.249 243 V C 2.765 178.990 176.094 0.219 0.000 1.057 243 V CA 1.976 64.437 62.300 0.268 0.000 1.032 243 V CB -1.031 30.863 31.823 0.119 0.000 0.645 243 V HN 0.522 nan 8.190 nan 0.000 0.447 244 A N -0.145 122.751 122.820 0.128 0.000 1.877 244 A HA -0.136 4.185 4.320 0.001 0.000 0.216 244 A C 2.420 180.061 177.584 0.095 0.000 1.186 244 A CA 2.269 54.365 52.037 0.098 0.000 0.620 244 A CB -0.820 18.224 19.000 0.075 0.000 0.822 244 A HN 0.598 nan 8.150 nan 0.000 0.443 245 A N -0.265 122.616 122.820 0.102 0.000 1.898 245 A HA -0.009 4.311 4.320 0.001 0.000 0.216 245 A C 1.982 179.562 177.584 -0.008 0.000 1.181 245 A CA 1.533 53.628 52.037 0.097 0.000 0.620 245 A CB -0.438 18.651 19.000 0.149 0.000 0.819 245 A HN 0.404 nan 8.150 nan 0.000 0.442 246 I N -0.178 120.405 120.570 0.022 0.000 2.315 246 I HA -0.176 3.995 4.170 0.001 0.000 0.248 246 I C 2.483 178.552 176.117 -0.080 0.000 1.117 246 I CA 1.662 62.905 61.300 -0.095 0.000 1.404 246 I CB -1.262 36.661 38.000 -0.128 0.000 1.071 246 I HN 0.473 nan 8.210 nan 0.000 0.419 247 R N 1.430 122.011 120.500 0.137 0.000 2.073 247 R HA -0.203 4.137 4.340 0.001 0.000 0.234 247 R C 2.389 178.686 176.300 -0.006 0.000 1.134 247 R CA 1.658 57.857 56.100 0.165 0.000 0.952 247 R CB -0.205 30.202 30.300 0.177 0.000 0.850 247 R HN 0.168 nan 8.270 nan 0.000 0.433 248 K N -0.516 119.851 120.400 -0.054 0.000 2.015 248 K HA -0.165 4.156 4.320 0.001 0.000 0.216 248 K C 1.979 178.419 176.600 -0.267 0.000 1.052 248 K CA 2.018 58.244 56.287 -0.102 0.000 0.937 248 K CB -0.577 31.898 32.500 -0.043 0.000 0.719 248 K HN 0.428 nan 8.250 nan 0.000 0.446 249 G N -0.135 108.274 108.800 -0.652 0.000 2.418 249 G HA2 -0.229 3.732 3.960 0.001 0.000 0.217 249 G HA3 -0.229 3.732 3.960 0.001 0.000 0.217 249 G C 1.433 176.093 174.900 -0.399 0.000 1.158 249 G CA 1.429 45.924 45.100 -1.009 0.000 0.771 249 G HN 0.361 nan 8.290 nan 0.000 0.545 250 T N 1.370 115.771 114.554 -0.255 0.000 2.708 250 T HA -0.064 4.287 4.350 0.001 0.000 0.266 250 T C 2.386 177.053 174.700 -0.054 0.000 1.037 250 T CA 1.099 63.139 62.100 -0.099 0.000 1.146 250 T CB -0.165 68.685 68.868 -0.031 0.000 0.865 250 T HN 0.245 nan 8.240 nan 0.000 0.435 251 I N 1.111 121.652 120.570 -0.047 0.000 2.315 251 I HA -0.120 4.050 4.170 0.001 0.000 0.248 251 I C 2.194 178.298 176.117 -0.021 0.000 1.117 251 I CA 1.140 62.428 61.300 -0.020 0.000 1.404 251 I CB -0.267 37.731 38.000 -0.003 0.000 1.071 251 I HN 0.132 nan 8.210 nan 0.000 0.419 252 D N 0.470 120.847 120.400 -0.039 0.000 2.378 252 D HA -0.075 4.565 4.640 0.001 0.000 0.227 252 D C 0.996 177.302 176.300 0.011 0.000 1.012 252 D CA 0.388 54.385 54.000 -0.004 0.000 0.905 252 D CB 0.182 40.990 40.800 0.015 0.000 0.895 252 D HN 0.037 nan 8.370 nan 0.000 0.532 253 L N -1.045 120.174 121.223 -0.007 0.000 4.496 253 L HA -0.273 4.068 4.340 0.001 0.000 0.419 253 L C 1.372 178.279 176.870 0.061 0.000 1.139 253 L CA 0.789 55.637 54.840 0.015 0.000 0.975 253 L CB -1.484 40.580 42.059 0.009 0.000 2.099 253 L HN 0.183 nan 8.230 nan 0.000 0.818 254 K N -0.428 120.009 120.400 0.061 0.000 2.276 254 K HA 0.374 4.694 4.320 0.001 0.000 0.198 254 K C 0.961 177.653 176.600 0.154 0.000 1.052 254 K CA 1.054 57.429 56.287 0.147 0.000 0.984 254 K CB 0.774 33.447 32.500 0.288 0.000 0.836 254 K HN 0.633 nan 8.250 nan 0.000 0.490 255 I N -1.996 118.616 120.570 0.069 0.000 3.170 255 I HA 0.416 4.587 4.170 0.001 0.000 0.312 255 I C -0.921 175.241 176.117 0.074 0.000 1.085 255 I CA -0.864 60.480 61.300 0.073 0.000 0.999 255 I CB 2.404 40.422 38.000 0.029 0.000 1.233 255 I HN -0.313 nan 8.210 nan 0.000 0.467 256 T N 2.385 116.992 114.554 0.089 0.000 3.008 256 T HA 0.406 4.757 4.350 0.001 0.000 0.328 256 T C -2.726 171.996 174.700 0.037 0.000 1.020 256 T CA -0.954 61.225 62.100 0.131 0.000 1.043 256 T CB 1.108 70.149 68.868 0.289 0.000 1.010 256 T HN 0.411 nan 8.240 nan 0.000 0.466 257 P HA 0.224 nan 4.420 nan 0.000 0.267 257 P C -0.556 176.656 177.300 -0.147 0.000 1.205 257 P CA -0.349 62.637 63.100 -0.189 0.000 0.765 257 P CB 0.525 32.062 31.700 -0.271 0.000 0.828 258 V N 5.207 124.935 119.914 -0.309 0.000 2.394 258 V HA 0.391 4.511 4.120 0.001 0.000 0.282 258 V C 0.028 175.829 176.094 -0.488 0.000 1.031 258 V CA -0.113 62.064 62.300 -0.205 0.000 0.881 258 V CB 0.054 31.785 31.823 -0.154 0.000 0.982 258 V HN 0.363 nan 8.190 nan 0.000 0.451 259 F N 4.897 124.902 119.950 0.091 0.000 2.575 259 F HA 0.791 5.319 4.527 0.001 0.000 0.330 259 F C 0.036 175.881 175.800 0.075 0.000 1.056 259 F CA -0.899 57.178 58.000 0.129 0.000 0.964 259 F CB 1.801 40.936 39.000 0.225 0.000 1.258 259 F HN 0.344 nan 8.300 nan 0.000 0.484 260 L N -0.190 121.154 121.223 0.203 0.000 2.341 260 L HA 1.094 5.435 4.340 0.001 0.000 0.254 260 L C -0.591 176.257 176.870 -0.036 0.000 1.040 260 L CA -0.545 54.213 54.840 -0.137 0.000 0.837 260 L CB 1.539 43.462 42.059 -0.227 0.000 1.425 260 L HN 0.797 nan 8.230 nan 0.000 0.414 261 G N 0.011 108.619 108.800 -0.321 0.000 2.323 261 G HA2 0.358 4.318 3.960 0.001 0.000 0.291 261 G HA3 0.358 4.318 3.960 0.001 0.000 0.291 261 G C -1.750 173.124 174.900 -0.043 0.000 1.278 261 G CA 0.132 45.268 45.100 0.060 0.000 0.860 261 G HN 0.941 nan 8.290 nan 0.000 0.504 262 S N -0.652 115.165 115.700 0.195 0.000 2.746 262 S HA 0.602 5.072 4.470 0.001 0.000 0.273 262 S C 1.130 175.823 174.600 0.154 0.000 1.172 262 S CA 0.852 59.131 58.200 0.131 0.000 1.116 262 S CB 0.778 64.093 63.200 0.191 0.000 1.057 262 S HN 1.929 nan 8.310 nan 0.000 0.483 263 A N 4.407 127.349 122.820 0.203 0.000 1.908 263 A HA -0.030 4.291 4.320 0.001 0.000 0.218 263 A C 1.904 179.542 177.584 0.090 0.000 1.181 263 A CA 1.628 53.766 52.037 0.169 0.000 0.627 263 A CB -0.666 18.442 19.000 0.181 0.000 0.818 263 A HN 0.857 nan 8.150 nan 0.000 0.445 264 L N -0.351 120.911 121.223 0.065 0.000 2.056 264 L HA -0.065 4.276 4.340 0.001 0.000 0.207 264 L C 1.576 178.461 176.870 0.025 0.000 1.078 264 L CA 1.948 56.807 54.840 0.032 0.000 0.749 264 L CB -0.247 41.826 42.059 0.023 0.000 0.901 264 L HN 0.276 nan 8.230 nan 0.000 0.433 265 K N 0.136 120.558 120.400 0.038 0.000 2.446 265 K HA 0.159 4.480 4.320 0.001 0.000 0.203 265 K C -0.254 176.346 176.600 -0.000 0.000 1.027 265 K CA -0.096 56.205 56.287 0.023 0.000 1.166 265 K CB -0.247 32.277 32.500 0.039 0.000 0.869 265 K HN 0.333 nan 8.250 nan 0.000 0.504 266 N N 2.553 121.268 118.700 0.026 0.000 2.667 266 N HA -0.173 4.567 4.740 0.001 0.000 0.263 266 N C -1.198 174.245 175.510 -0.111 0.000 1.038 266 N CA 1.198 54.286 53.050 0.064 0.000 0.749 266 N CB -0.713 37.848 38.487 0.124 0.000 0.892 266 N HN 0.397 nan 8.380 nan 0.000 0.546 267 K N -0.255 119.994 120.400 -0.251 0.000 2.535 267 K HA 0.471 4.792 4.320 0.001 0.000 0.250 267 K C 0.842 177.259 176.600 -0.305 0.000 0.948 267 K CA -0.066 55.748 56.287 -0.787 0.000 0.796 267 K CB 1.973 33.944 32.500 -0.882 0.000 1.216 267 K HN 0.221 nan 8.250 nan 0.000 0.432 268 G N 0.668 109.313 108.800 -0.259 0.000 2.194 268 G HA2 -0.275 3.685 3.960 0.001 0.000 0.236 268 G HA3 -0.275 3.685 3.960 0.001 0.000 0.236 268 G C 0.733 175.599 174.900 -0.056 0.000 0.987 268 G CA 0.313 45.441 45.100 0.047 0.000 0.635 268 G HN 0.364 nan 8.290 nan 0.000 0.520 269 V N 0.889 120.681 119.914 -0.203 0.000 2.379 269 V HA -0.161 3.959 4.120 0.001 0.000 0.245 269 V C 2.802 178.558 176.094 -0.564 0.000 1.044 269 V CA 2.798 64.869 62.300 -0.380 0.000 1.036 269 V CB -0.504 31.172 31.823 -0.245 0.000 0.664 269 V HN 0.580 nan 8.190 nan 0.000 0.453 270 Q N -0.184 119.232 119.800 -0.640 0.000 2.124 270 Q HA -0.145 4.195 4.340 0.001 0.000 0.202 270 Q C 2.278 178.077 176.000 -0.334 0.000 0.977 270 Q CA 1.456 56.923 55.803 -0.560 0.000 0.850 270 Q CB -0.277 28.265 28.738 -0.326 0.000 0.901 270 Q HN 0.527 nan 8.270 nan 0.000 0.429 271 L N 0.215 121.282 121.223 -0.260 0.000 2.141 271 L HA -0.182 4.158 4.340 0.001 0.000 0.209 271 L C 2.302 178.997 176.870 -0.291 0.000 1.094 271 L CA 0.371 55.092 54.840 -0.198 0.000 0.763 271 L CB -0.349 41.638 42.059 -0.119 0.000 0.908 271 L HN 0.232 nan 8.230 nan 0.000 0.437 272 L N -0.660 120.343 121.223 -0.368 0.000 2.046 272 L HA -0.204 4.137 4.340 0.001 0.000 0.208 272 L C 2.278 178.828 176.870 -0.534 0.000 1.077 272 L CA 1.706 56.235 54.840 -0.519 0.000 0.747 272 L CB -0.398 41.272 42.059 -0.650 0.000 0.896 272 L HN 0.071 nan 8.230 nan 0.000 0.432 273 L N -0.420 120.446 121.223 -0.596 0.000 2.046 273 L HA -0.201 4.139 4.340 0.001 0.000 0.208 273 L C 2.309 178.932 176.870 -0.411 0.000 1.077 273 L CA 1.567 55.970 54.840 -0.728 0.000 0.747 273 L CB -1.673 39.474 42.059 -1.520 0.000 0.896 273 L HN 0.328 nan 8.230 nan 0.000 0.432 274 D N -0.133 120.162 120.400 -0.175 0.000 2.133 274 D HA -0.183 4.457 4.640 0.001 0.000 0.195 274 D C 2.183 178.356 176.300 -0.212 0.000 0.997 274 D CA 1.569 55.555 54.000 -0.023 0.000 0.840 274 D CB 0.055 40.856 40.800 0.003 0.000 0.947 274 D HN 0.319 nan 8.370 nan 0.000 0.452 275 A N 0.388 122.997 122.820 -0.352 0.000 1.930 275 A HA -0.090 4.231 4.320 0.001 0.000 0.217 275 A C 2.515 179.943 177.584 -0.260 0.000 1.175 275 A CA 0.926 52.726 52.037 -0.394 0.000 0.627 275 A CB -0.589 17.831 19.000 -0.966 0.000 0.815 275 A HN 0.140 nan 8.150 nan 0.000 0.443 276 V N -0.285 119.462 119.914 -0.277 0.000 2.282 276 V HA -0.270 3.850 4.120 0.001 0.000 0.249 276 V C 2.548 178.534 176.094 -0.181 0.000 1.057 276 V CA 2.195 64.375 62.300 -0.200 0.000 1.032 276 V CB -0.929 30.758 31.823 -0.226 0.000 0.645 276 V HN 0.374 nan 8.190 nan 0.000 0.447 277 V N -0.030 119.749 119.914 -0.224 0.000 2.307 277 V HA -0.226 3.894 4.120 0.001 0.000 0.245 277 V C 2.296 178.216 176.094 -0.289 0.000 1.045 277 V CA 2.171 64.281 62.300 -0.317 0.000 1.024 277 V CB -0.658 30.901 31.823 -0.441 0.000 0.651 277 V HN 0.537 nan 8.190 nan 0.000 0.449 278 D N -0.892 119.287 120.400 -0.369 0.000 2.084 278 D HA -0.146 4.495 4.640 0.001 0.000 0.194 278 D C 1.883 177.871 176.300 -0.519 0.000 0.990 278 D CA 1.857 55.500 54.000 -0.595 0.000 0.826 278 D CB -0.136 39.994 40.800 -1.117 0.000 0.971 278 D HN 0.594 nan 8.370 nan 0.000 0.453 279 Y N -0.853 119.433 120.300 -0.023 0.000 2.483 279 Y HA 0.255 4.806 4.550 0.001 0.000 0.258 279 Y C 0.562 176.453 175.900 -0.015 0.000 1.083 279 Y CA -0.570 57.532 58.100 0.004 0.000 1.283 279 Y CB 0.176 38.673 38.460 0.063 0.000 1.178 279 Y HN -0.136 nan 8.280 nan 0.000 0.515 280 L N 3.405 124.668 121.223 0.067 0.000 2.418 280 L HA 0.355 4.696 4.340 0.001 0.000 0.265 280 L C -2.271 174.604 176.870 0.009 0.000 1.143 280 L CA -2.630 52.226 54.840 0.026 0.000 0.809 280 L CB 0.239 42.288 42.059 -0.017 0.000 1.124 280 L HN -0.118 nan 8.230 nan 0.000 0.456 281 P HA 0.206 nan 4.420 nan 0.000 0.282 281 P C -0.781 176.524 177.300 0.009 0.000 1.249 281 P CA -0.510 62.596 63.100 0.011 0.000 0.806 281 P CB 1.195 32.900 31.700 0.008 0.000 0.984 282 S N 2.396 118.107 115.700 0.019 0.000 2.661 282 S HA 0.317 4.787 4.470 0.001 0.000 0.265 282 S C -1.696 172.915 174.600 0.019 0.000 1.225 282 S CA -1.077 57.134 58.200 0.019 0.000 0.986 282 S CB -0.304 62.908 63.200 0.021 0.000 1.008 282 S HN 0.224 nan 8.310 nan 0.000 0.565 283 P HA 0.095 nan 4.420 nan 0.000 0.225 283 P C 0.888 178.220 177.300 0.054 0.000 1.148 283 P CA 0.774 63.897 63.100 0.038 0.000 0.779 283 P CB -0.117 31.608 31.700 0.042 0.000 0.780 284 L N -1.121 120.127 121.223 0.043 0.000 2.446 284 L HA 0.035 4.376 4.340 0.001 0.000 0.219 284 L C 1.544 178.441 176.870 0.044 0.000 1.116 284 L CA 0.899 55.768 54.840 0.048 0.000 0.844 284 L CB -0.466 41.614 42.059 0.035 0.000 0.970 284 L HN -0.082 nan 8.230 nan 0.000 0.457 285 D N 0.751 121.172 120.400 0.036 0.000 2.348 285 D HA 0.117 4.758 4.640 0.001 0.000 0.211 285 D C 0.712 177.030 176.300 0.031 0.000 0.998 285 D CA 0.537 54.556 54.000 0.031 0.000 0.873 285 D CB 0.508 41.323 40.800 0.024 0.000 0.925 285 D HN 0.369 nan 8.370 nan 0.000 0.524 286 I N -1.199 119.393 120.570 0.035 0.000 2.493 286 I HA 0.422 4.593 4.170 0.001 0.000 0.298 286 I C -2.515 173.627 176.117 0.042 0.000 0.998 286 I CA -2.417 58.903 61.300 0.033 0.000 1.137 286 I CB 1.424 39.440 38.000 0.027 0.000 1.310 286 I HN -0.363 nan 8.210 nan 0.000 0.445 287 P HA 0.143 nan 4.420 nan 0.000 0.265 287 P C -2.456 174.860 177.300 0.027 0.000 1.187 287 P CA -0.506 62.614 63.100 0.034 0.000 0.766 287 P CB -0.437 31.276 31.700 0.023 0.000 0.820 288 P HA 0.248 nan 4.420 nan 0.000 0.274 288 P C 0.262 177.520 177.300 -0.071 0.000 1.231 288 P CA -0.414 62.680 63.100 -0.010 0.000 0.790 288 P CB 0.852 32.521 31.700 -0.051 0.000 0.951 289 I N 1.113 121.608 120.570 -0.125 0.000 2.836 289 I HA 0.036 4.206 4.170 0.001 0.000 0.285 289 I C 0.514 176.508 176.117 -0.204 0.000 1.174 289 I CA -0.059 61.104 61.300 -0.227 0.000 1.405 289 I CB 0.421 38.099 38.000 -0.537 0.000 1.385 289 I HN 0.262 nan 8.210 nan 0.000 0.594 290 K N 4.238 124.537 120.400 -0.169 0.000 2.110 290 K HA 0.634 4.954 4.320 0.001 0.000 0.263 290 K C -0.402 176.122 176.600 -0.126 0.000 0.975 290 K CA -0.589 55.622 56.287 -0.127 0.000 0.895 290 K CB 1.739 34.189 32.500 -0.084 0.000 1.060 290 K HN 0.774 nan 8.250 nan 0.000 0.448 291 G N 0.335 109.078 108.800 -0.096 0.000 2.563 291 G HA2 0.394 4.354 3.960 0.001 0.000 0.302 291 G HA3 0.394 4.354 3.960 0.001 0.000 0.302 291 G C -1.141 173.734 174.900 -0.042 0.000 1.301 291 G CA -0.579 44.479 45.100 -0.071 0.000 0.965 291 G HN 0.428 nan 8.290 nan 0.000 0.480 292 T N 1.068 115.605 114.554 -0.027 0.000 2.743 292 T HA 0.508 4.859 4.350 0.001 0.000 0.292 292 T C 0.909 175.608 174.700 -0.002 0.000 0.972 292 T CA -0.427 61.665 62.100 -0.013 0.000 0.967 292 T CB 1.022 69.885 68.868 -0.008 0.000 0.926 292 T HN 0.830 nan 8.240 nan 0.000 0.459 293 T N 1.610 116.163 114.554 -0.001 0.000 2.766 293 T HA 0.241 4.591 4.350 0.001 0.000 0.295 293 T C -1.501 173.206 174.700 0.011 0.000 1.024 293 T CA -1.573 60.531 62.100 0.006 0.000 1.018 293 T CB 0.211 69.081 68.868 0.004 0.000 1.002 293 T HN 0.123 nan 8.240 nan 0.000 0.532 294 P HA -0.143 nan 4.420 nan 0.000 0.215 294 P C 1.371 178.677 177.300 0.010 0.000 1.163 294 P CA 1.376 64.485 63.100 0.015 0.000 0.894 294 P CB -0.029 31.678 31.700 0.012 0.000 0.791 295 E N -0.974 119.230 120.200 0.007 0.000 2.463 295 E HA -0.031 4.320 4.350 0.001 0.000 0.201 295 E C 1.297 177.900 176.600 0.005 0.000 1.045 295 E CA 1.185 57.588 56.400 0.005 0.000 0.872 295 E CB -1.068 28.635 29.700 0.004 0.000 0.797 295 E HN 0.275 nan 8.360 nan 0.000 0.538 296 G N 0.138 108.940 108.800 0.004 0.000 2.213 296 G HA2 -0.295 3.666 3.960 0.001 0.000 0.236 296 G HA3 -0.295 3.666 3.960 0.001 0.000 0.236 296 G C -0.029 174.871 174.900 -0.001 0.000 0.991 296 G CA 0.191 45.292 45.100 0.003 0.000 0.629 296 G HN 0.492 nan 8.290 nan 0.000 0.517 297 E N 0.919 121.118 120.200 -0.001 0.000 2.390 297 E HA 0.416 4.766 4.350 0.001 0.000 0.261 297 E C -0.175 176.419 176.600 -0.009 0.000 1.076 297 E CA -0.364 56.033 56.400 -0.004 0.000 0.905 297 E CB 1.783 31.482 29.700 -0.002 0.000 0.984 297 E HN 0.315 nan 8.360 nan 0.000 0.427 298 V N 2.909 122.815 119.914 -0.013 0.000 2.334 298 V HA 0.141 4.262 4.120 0.001 0.000 0.267 298 V C 0.061 176.140 176.094 -0.026 0.000 1.040 298 V CA -0.560 61.727 62.300 -0.022 0.000 0.866 298 V CB 0.882 32.692 31.823 -0.023 0.000 1.019 298 V HN 0.461 nan 8.190 nan 0.000 0.468 299 V N 4.262 124.155 119.914 -0.035 0.000 2.769 299 V HA 0.429 4.550 4.120 0.001 0.000 0.312 299 V C 0.191 176.236 176.094 -0.082 0.000 1.058 299 V CA -0.963 61.311 62.300 -0.042 0.000 0.952 299 V CB 2.159 33.965 31.823 -0.029 0.000 1.019 299 V HN 0.800 nan 8.190 nan 0.000 0.445 300 E N 2.897 123.029 120.200 -0.114 0.000 2.343 300 E HA 0.478 4.829 4.350 0.001 0.000 0.269 300 E C -0.725 175.677 176.600 -0.329 0.000 1.047 300 E CA -0.342 55.928 56.400 -0.216 0.000 0.874 300 E CB 1.549 31.102 29.700 -0.245 0.000 1.033 300 E HN 0.649 nan 8.360 nan 0.000 0.409 301 I N 0.094 120.471 120.570 -0.322 0.000 2.411 301 I HA 0.351 4.522 4.170 0.001 0.000 0.284 301 I C -0.359 175.626 176.117 -0.220 0.000 1.012 301 I CA -0.946 60.202 61.300 -0.252 0.000 1.119 301 I CB 1.047 38.989 38.000 -0.096 0.000 1.261 301 I HN 0.341 nan 8.210 nan 0.000 0.448 302 H N 6.427 125.527 119.070 0.050 0.000 2.582 302 H HA 0.272 4.828 4.556 0.001 0.000 0.345 302 H C -2.187 173.190 175.328 0.083 0.000 1.104 302 H CA -1.814 54.271 56.048 0.061 0.000 1.390 302 H CB 1.049 30.839 29.762 0.047 0.000 1.461 302 H HN 0.483 nan 8.280 nan 0.000 0.551 303 P HA -0.012 nan 4.420 nan 0.000 0.259 303 P C -0.402 176.988 177.300 0.151 0.000 1.635 303 P CA 0.242 63.441 63.100 0.166 0.000 1.199 303 P CB -0.296 31.491 31.700 0.145 0.000 1.850 304 D N 3.793 124.278 120.400 0.142 0.000 2.425 304 D HA 0.278 4.918 4.640 0.001 0.000 0.240 304 D C -1.873 174.485 176.300 0.097 0.000 1.080 304 D CA -2.632 51.437 54.000 0.115 0.000 0.836 304 D CB 1.638 42.500 40.800 0.102 0.000 1.125 304 D HN -0.032 nan 8.370 nan 0.000 0.525 305 P HA 0.043 nan 4.420 nan 0.000 0.223 305 P C 0.184 177.501 177.300 0.027 0.000 1.151 305 P CA 0.821 63.950 63.100 0.049 0.000 0.787 305 P CB 0.226 31.966 31.700 0.067 0.000 0.788 306 N N -1.015 117.711 118.700 0.044 0.000 2.230 306 N HA 0.119 4.860 4.740 0.001 0.000 0.202 306 N C 1.018 176.550 175.510 0.036 0.000 1.119 306 N CA -0.302 52.767 53.050 0.032 0.000 0.851 306 N CB 0.367 38.875 38.487 0.034 0.000 0.990 306 N HN 0.107 nan 8.380 nan 0.000 0.497 307 G N 1.808 110.636 108.800 0.047 0.000 2.543 307 G HA2 0.291 4.252 3.960 0.001 0.000 0.290 307 G HA3 0.291 4.252 3.960 0.001 0.000 0.290 307 G C -2.432 172.495 174.900 0.045 0.000 1.310 307 G CA -0.822 44.309 45.100 0.052 0.000 1.025 307 G HN -0.095 nan 8.290 nan 0.000 0.502 308 P HA 0.190 nan 4.420 nan 0.000 0.274 308 P C -0.400 176.930 177.300 0.051 0.000 1.231 308 P CA -0.587 62.538 63.100 0.043 0.000 0.790 308 P CB 1.253 32.977 31.700 0.041 0.000 0.951 309 L N 1.937 123.189 121.223 0.049 0.000 2.410 309 L HA 0.436 4.776 4.340 0.001 0.000 0.273 309 L C -0.307 176.608 176.870 0.074 0.000 1.152 309 L CA 0.321 55.195 54.840 0.056 0.000 0.855 309 L CB -0.408 41.681 42.059 0.049 0.000 1.129 309 L HN 0.532 nan 8.230 nan 0.000 0.463 310 A N 4.830 127.706 122.820 0.093 0.000 2.414 310 A HA 0.897 5.217 4.320 0.001 0.000 0.286 310 A C -0.923 176.763 177.584 0.170 0.000 1.073 310 A CA 0.068 52.177 52.037 0.120 0.000 0.727 310 A CB 1.141 20.210 19.000 0.115 0.000 1.215 310 A HN 1.135 nan 8.150 nan 0.000 0.430 311 A N 2.155 125.072 122.820 0.160 0.000 2.515 311 A HA 0.866 5.187 4.320 0.001 0.000 0.296 311 A C -1.580 176.124 177.584 0.201 0.000 1.094 311 A CA -0.523 51.618 52.037 0.175 0.000 0.718 311 A CB 1.552 20.607 19.000 0.092 0.000 1.307 311 A HN 1.324 nan 8.150 nan 0.000 0.408 312 L N 1.412 122.781 121.223 0.243 0.000 2.409 312 L HA 0.744 5.084 4.340 0.001 0.000 0.272 312 L C -0.061 176.953 176.870 0.240 0.000 0.980 312 L CA -0.310 54.680 54.840 0.251 0.000 0.826 312 L CB 1.278 43.562 42.059 0.375 0.000 1.268 312 L HN 1.014 nan 8.230 nan 0.000 0.407 313 A N 4.344 127.261 122.820 0.163 0.000 2.320 313 A HA 0.485 4.806 4.320 0.001 0.000 0.287 313 A C -0.155 177.529 177.584 0.166 0.000 1.181 313 A CA -0.357 51.742 52.037 0.103 0.000 0.831 313 A CB -0.004 19.013 19.000 0.029 0.000 1.102 313 A HN 0.719 nan 8.150 nan 0.000 0.513 314 F N 0.368 120.367 119.950 0.082 0.000 2.798 314 F HA 0.613 5.141 4.527 0.001 0.000 0.328 314 F C -0.051 175.781 175.800 0.053 0.000 1.098 314 F CA -0.498 57.536 58.000 0.057 0.000 1.172 314 F CB 0.106 39.127 39.000 0.035 0.000 1.072 314 F HN 0.449 nan 8.300 nan 0.000 0.555 315 K N 0.921 121.142 120.400 -0.299 0.000 2.610 315 K HA 0.561 4.881 4.320 0.001 0.000 0.267 315 K C -2.283 174.310 176.600 -0.012 0.000 0.943 315 K CA -0.460 55.748 56.287 -0.132 0.000 0.862 315 K CB 1.745 34.133 32.500 -0.188 0.000 1.376 315 K HN 0.115 nan 8.250 nan 0.000 0.412 316 I N 3.699 124.295 120.570 0.043 0.000 2.465 316 I HA 0.500 4.670 4.170 0.001 0.000 0.291 316 I C -0.685 175.485 176.117 0.089 0.000 1.014 316 I CA -0.324 61.015 61.300 0.065 0.000 1.093 316 I CB 1.960 39.978 38.000 0.030 0.000 1.267 316 I HN 0.553 nan 8.210 nan 0.000 0.431 317 M N 4.620 124.286 119.600 0.112 0.000 2.327 317 M HA 0.580 5.060 4.480 0.001 0.000 0.298 317 M C -0.520 175.810 176.300 0.050 0.000 1.065 317 M CA -0.701 54.663 55.300 0.106 0.000 0.916 317 M CB 2.261 34.992 32.600 0.218 0.000 1.630 317 M HN 0.631 nan 8.290 nan 0.000 0.442 318 A N 3.174 126.011 122.820 0.029 0.000 3.004 318 A HA 0.202 4.522 4.320 0.001 0.000 0.286 318 A C -0.162 177.422 177.584 0.000 0.000 1.632 318 A CA -0.513 51.528 52.037 0.006 0.000 1.339 318 A CB -0.665 18.334 19.000 -0.002 0.000 1.136 318 A HN 0.801 nan 8.150 nan 0.000 0.577 319 D N 2.415 122.821 120.400 0.010 0.000 2.304 319 D HA 0.191 4.832 4.640 0.001 0.000 0.247 319 D C -1.931 174.342 176.300 -0.044 0.000 1.089 319 D CA -1.279 52.723 54.000 0.004 0.000 0.910 319 D CB 1.438 42.274 40.800 0.059 0.000 1.199 319 D HN 0.142 nan 8.370 nan 0.000 0.426 320 P HA -0.105 nan 4.420 nan 0.000 0.216 320 P C 0.989 178.174 177.300 -0.190 0.000 1.153 320 P CA 1.101 64.060 63.100 -0.236 0.000 0.844 320 P CB -0.099 31.332 31.700 -0.448 0.000 0.787 321 Y N -0.396 119.905 120.300 0.001 0.000 2.242 321 Y HA -0.057 4.493 4.550 -0.000 0.000 0.291 321 Y C 2.042 177.937 175.900 -0.008 0.000 1.137 321 Y CA 1.058 59.157 58.100 -0.000 0.000 1.181 321 Y CB -0.852 37.612 38.460 0.006 0.000 0.989 321 Y HN -0.135 nan 8.280 nan 0.000 0.527 322 V N -3.826 116.163 119.914 0.126 0.000 3.330 322 V HA 0.738 4.858 4.120 0.001 0.000 0.309 322 V C 0.805 176.907 176.094 0.013 0.000 1.481 322 V CA 0.040 62.374 62.300 0.056 0.000 1.068 322 V CB -0.086 31.760 31.823 0.038 0.000 0.935 322 V HN 0.455 nan 8.190 nan 0.000 0.453 323 G N 1.687 110.490 108.800 0.005 0.000 2.553 323 G HA2 -0.320 3.641 3.960 0.001 0.000 0.242 323 G HA3 -0.320 3.641 3.960 0.001 0.000 0.242 323 G C 0.013 174.899 174.900 -0.022 0.000 1.277 323 G CA 0.127 45.220 45.100 -0.012 0.000 0.910 323 G HN 0.902 nan 8.290 nan 0.000 0.576 324 R N 0.093 120.578 120.500 -0.026 0.000 2.549 324 R HA 0.194 4.534 4.340 0.001 0.000 0.336 324 R C 0.172 176.431 176.300 -0.068 0.000 0.891 324 R CA 0.248 56.328 56.100 -0.034 0.000 1.102 324 R CB -0.677 29.606 30.300 -0.028 0.000 0.899 324 R HN 0.416 nan 8.270 nan 0.000 0.407 325 L N 3.954 125.124 121.223 -0.089 0.000 2.309 325 L HA 0.350 4.690 4.340 0.001 0.000 0.282 325 L C -0.025 176.707 176.870 -0.230 0.000 1.036 325 L CA -0.528 54.188 54.840 -0.207 0.000 0.806 325 L CB 2.164 44.048 42.059 -0.291 0.000 1.220 325 L HN 0.594 nan 8.230 nan 0.000 0.429 326 T N 2.717 117.085 114.554 -0.310 0.000 2.833 326 T HA 0.462 4.812 4.350 0.001 0.000 0.297 326 T C -0.463 174.014 174.700 -0.371 0.000 1.015 326 T CA -0.356 61.599 62.100 -0.240 0.000 0.963 326 T CB 0.312 69.096 68.868 -0.139 0.000 0.955 326 T HN 0.069 nan 8.240 nan 0.000 0.449 327 F N 4.804 124.572 119.950 -0.303 0.000 2.412 327 F HA 0.542 5.069 4.527 0.000 0.000 0.348 327 F C 0.694 176.216 175.800 -0.463 0.000 1.102 327 F CA -0.989 56.750 58.000 -0.436 0.000 1.196 327 F CB 0.745 39.311 39.000 -0.724 0.000 1.144 327 F HN 0.359 nan 8.300 nan 0.000 0.541 328 I N 1.137 121.714 120.570 0.013 0.000 2.865 328 I HA 0.671 4.842 4.170 0.001 0.000 0.302 328 I C -1.325 174.963 176.117 0.284 0.000 1.140 328 I CA -1.445 59.943 61.300 0.145 0.000 1.021 328 I CB 1.943 39.973 38.000 0.050 0.000 1.233 328 I HN 0.589 nan 8.210 nan 0.000 0.427 329 R N 3.963 124.599 120.500 0.226 0.000 2.437 329 R HA 0.686 5.026 4.340 0.001 0.000 0.310 329 R C -1.851 174.327 176.300 -0.204 0.000 0.955 329 R CA -0.514 55.553 56.100 -0.055 0.000 0.851 329 R CB 1.346 31.502 30.300 -0.240 0.000 1.161 329 R HN 0.581 nan 8.270 nan 0.000 0.446 330 V N 6.949 126.741 119.914 -0.202 0.000 2.432 330 V HA 0.192 4.313 4.120 0.001 0.000 0.271 330 V C -0.006 175.948 176.094 -0.233 0.000 1.046 330 V CA -0.081 62.141 62.300 -0.130 0.000 0.945 330 V CB 0.898 32.687 31.823 -0.056 0.000 0.992 330 V HN 0.834 nan 8.190 nan 0.000 0.471 331 Y N 2.347 122.671 120.300 0.039 0.000 2.396 331 Y HA 0.142 4.693 4.550 0.001 0.000 0.292 331 Y C 1.487 177.411 175.900 0.041 0.000 1.128 331 Y CA 0.716 58.836 58.100 0.034 0.000 1.194 331 Y CB 0.485 38.956 38.460 0.019 0.000 1.124 331 Y HN 0.708 nan 8.280 nan 0.000 0.543 332 S N -1.139 114.667 115.700 0.176 0.000 2.627 332 S HA 0.737 5.208 4.470 0.001 0.000 0.283 332 S C 0.160 174.805 174.600 0.075 0.000 1.127 332 S CA -0.337 57.934 58.200 0.119 0.000 0.863 332 S CB 1.774 65.044 63.200 0.116 0.000 1.121 332 S HN 0.815 nan 8.310 nan 0.000 0.479 333 G N 0.739 109.573 108.800 0.057 0.000 2.601 333 G HA2 0.036 3.996 3.960 0.001 0.000 0.252 333 G HA3 0.036 3.996 3.960 0.001 0.000 0.252 333 G C -0.401 174.494 174.900 -0.009 0.000 1.294 333 G CA -0.106 45.011 45.100 0.029 0.000 0.912 333 G HN 1.649 nan 8.290 nan 0.000 0.574 334 T N 0.130 114.673 114.554 -0.019 0.000 2.971 334 T HA 0.512 4.862 4.350 0.001 0.000 0.304 334 T C -0.761 173.919 174.700 -0.032 0.000 1.038 334 T CA -0.365 61.703 62.100 -0.054 0.000 1.007 334 T CB 1.860 70.686 68.868 -0.070 0.000 1.055 334 T HN 1.040 nan 8.240 nan 0.000 0.451 335 L N 3.751 124.950 121.223 -0.040 0.000 2.257 335 L HA 0.569 4.910 4.340 0.001 0.000 0.290 335 L C -0.116 176.731 176.870 -0.039 0.000 1.044 335 L CA 0.284 55.108 54.840 -0.028 0.000 0.810 335 L CB 0.721 42.766 42.059 -0.023 0.000 1.193 335 L HN 0.647 nan 8.230 nan 0.000 0.425 336 T N 3.228 117.764 114.554 -0.031 0.000 2.795 336 T HA 0.240 4.591 4.350 0.001 0.000 0.282 336 T C 0.051 174.725 174.700 -0.044 0.000 0.980 336 T CA -0.347 61.732 62.100 -0.036 0.000 1.012 336 T CB 1.151 70.003 68.868 -0.026 0.000 0.936 336 T HN 0.680 nan 8.240 nan 0.000 0.457 337 S N 2.305 117.977 115.700 -0.047 0.000 2.544 337 S HA 0.389 4.859 4.470 0.001 0.000 0.290 337 S C 1.419 175.977 174.600 -0.069 0.000 1.276 337 S CA 0.754 58.919 58.200 -0.057 0.000 1.075 337 S CB -0.560 62.612 63.200 -0.046 0.000 0.849 337 S HN 1.340 nan 8.310 nan 0.000 0.494 338 G N 3.128 111.869 108.800 -0.099 0.000 2.142 338 G HA2 -0.182 3.778 3.960 0.001 0.000 0.225 338 G HA3 -0.182 3.778 3.960 0.001 0.000 0.225 338 G C -0.017 174.775 174.900 -0.181 0.000 1.015 338 G CA 0.174 45.195 45.100 -0.131 0.000 0.716 338 G HN 1.590 nan 8.290 nan 0.000 0.508 339 S N -1.127 114.460 115.700 -0.189 0.000 2.671 339 S HA 0.832 5.303 4.470 0.001 0.000 0.299 339 S C -0.512 173.931 174.600 -0.262 0.000 1.116 339 S CA -1.158 56.933 58.200 -0.182 0.000 0.912 339 S CB 1.715 64.890 63.200 -0.042 0.000 1.130 339 S HN 0.454 nan 8.310 nan 0.000 0.501 340 Y N 0.476 120.787 120.300 0.017 0.000 2.308 340 Y HA 0.566 5.117 4.550 0.001 0.000 0.329 340 Y C 0.708 176.634 175.900 0.044 0.000 1.111 340 Y CA -0.656 57.462 58.100 0.030 0.000 1.179 340 Y CB 1.256 39.738 38.460 0.038 0.000 1.201 340 Y HN 0.695 nan 8.280 nan 0.000 0.483 341 V N -0.044 119.984 119.914 0.191 0.000 3.204 341 V HA 0.580 4.700 4.120 0.001 0.000 0.316 341 V C -1.792 174.436 176.094 0.223 0.000 1.160 341 V CA -1.316 61.082 62.300 0.164 0.000 1.044 341 V CB 2.155 34.034 31.823 0.094 0.000 1.136 341 V HN 0.615 nan 8.190 nan 0.000 0.455 342 Y N 1.602 121.934 120.300 0.054 0.000 2.338 342 Y HA 0.490 5.041 4.550 0.001 0.000 0.333 342 Y C -0.004 175.917 175.900 0.035 0.000 0.968 342 Y CA -0.825 57.300 58.100 0.042 0.000 1.123 342 Y CB 1.523 40.002 38.460 0.032 0.000 1.165 342 Y HN 0.872 nan 8.280 nan 0.000 0.452 343 N N 3.806 122.266 118.700 -0.400 0.000 2.415 343 N HA -0.002 4.738 4.740 0.001 0.000 0.250 343 N C 0.825 176.109 175.510 -0.376 0.000 1.127 343 N CA 0.687 53.566 53.050 -0.285 0.000 0.945 343 N CB 1.176 39.526 38.487 -0.229 0.000 1.196 343 N HN 0.931 nan 8.380 nan 0.000 0.499 344 T N -0.160 114.337 114.554 -0.094 0.000 2.995 344 T HA -0.081 4.269 4.350 0.001 0.000 0.269 344 T C 1.482 176.180 174.700 -0.004 0.000 1.091 344 T CA 1.140 63.260 62.100 0.033 0.000 1.128 344 T CB -0.200 68.745 68.868 0.129 0.000 0.891 344 T HN 0.356 nan 8.240 nan 0.000 0.492 345 T N 1.006 115.542 114.554 -0.030 0.000 2.951 345 T HA 0.113 4.463 4.350 0.001 0.000 0.268 345 T C 1.721 176.397 174.700 -0.040 0.000 1.073 345 T CA 1.032 63.120 62.100 -0.020 0.000 1.134 345 T CB -0.058 68.804 68.868 -0.010 0.000 0.884 345 T HN 0.447 nan 8.240 nan 0.000 0.479 346 K N -0.061 120.286 120.400 -0.089 0.000 2.412 346 K HA 0.342 4.663 4.320 0.001 0.000 0.202 346 K C 0.790 177.319 176.600 -0.118 0.000 1.102 346 K CA 0.274 56.506 56.287 -0.091 0.000 1.027 346 K CB 0.616 33.060 32.500 -0.094 0.000 0.931 346 K HN 0.256 nan 8.250 nan 0.000 0.557 347 G N 2.417 111.094 108.800 -0.205 0.000 2.353 347 G HA2 -0.230 3.731 3.960 0.001 0.000 0.294 347 G HA3 -0.230 3.731 3.960 0.001 0.000 0.294 347 G C -0.741 173.975 174.900 -0.306 0.000 1.077 347 G CA 0.172 45.153 45.100 -0.198 0.000 1.098 347 G HN 0.133 nan 8.290 nan 0.000 0.511 348 R N -0.519 119.559 120.500 -0.703 0.000 2.626 348 R HA 0.325 4.665 4.340 0.001 0.000 0.274 348 R C 0.040 176.147 176.300 -0.322 0.000 1.031 348 R CA -0.963 54.935 56.100 -0.336 0.000 0.898 348 R CB 1.538 31.724 30.300 -0.190 0.000 1.222 348 R HN 0.305 nan 8.270 nan 0.000 0.455 349 K N 1.850 122.245 120.400 -0.008 0.000 2.326 349 K HA 0.116 4.437 4.320 0.001 0.000 0.275 349 K C -0.105 176.537 176.600 0.070 0.000 1.018 349 K CA 0.138 56.490 56.287 0.107 0.000 0.962 349 K CB 0.686 33.260 32.500 0.124 0.000 0.953 349 K HN 0.299 nan 8.250 nan 0.000 0.475 350 E N 1.973 122.243 120.200 0.117 0.000 2.317 350 E HA 0.231 4.581 4.350 0.001 0.000 0.270 350 E C -1.154 175.525 176.600 0.132 0.000 0.885 350 E CA -0.989 55.465 56.400 0.088 0.000 0.760 350 E CB 2.171 31.884 29.700 0.022 0.000 1.227 350 E HN 0.265 nan 8.360 nan 0.000 0.434 351 R N 1.393 121.926 120.500 0.056 0.000 2.239 351 R HA 0.235 4.576 4.340 0.001 0.000 0.332 351 R C -0.902 175.334 176.300 -0.107 0.000 0.988 351 R CA -0.576 55.474 56.100 -0.084 0.000 0.859 351 R CB 0.481 30.731 30.300 -0.084 0.000 1.148 351 R HN 0.292 nan 8.270 nan 0.000 0.482 352 V N 4.478 124.314 119.914 -0.129 0.000 2.370 352 V HA 0.429 4.549 4.120 0.001 0.000 0.257 352 V C 0.778 176.798 176.094 -0.123 0.000 1.064 352 V CA 0.675 62.914 62.300 -0.103 0.000 0.975 352 V CB 0.316 32.093 31.823 -0.077 0.000 1.067 352 V HN 0.898 nan 8.190 nan 0.000 0.485 353 A N 7.013 129.772 122.820 -0.101 0.000 1.930 353 A HA 0.285 4.605 4.320 0.001 0.000 0.215 353 A C 1.248 178.786 177.584 -0.076 0.000 1.176 353 A CA 0.794 52.776 52.037 -0.092 0.000 0.632 353 A CB 0.036 18.994 19.000 -0.069 0.000 0.819 353 A HN 0.848 nan 8.150 nan 0.000 0.445 354 R N -1.707 118.751 120.500 -0.070 0.000 2.680 354 R HA 0.627 4.968 4.340 0.001 0.000 0.269 354 R C -1.903 174.356 176.300 -0.068 0.000 1.026 354 R CA -0.672 55.392 56.100 -0.061 0.000 0.889 354 R CB 1.239 31.510 30.300 -0.048 0.000 1.241 354 R HN 0.161 nan 8.270 nan 0.000 0.463 355 L N 2.691 123.879 121.223 -0.058 0.000 2.346 355 L HA 0.659 4.999 4.340 0.001 0.000 0.274 355 L C -0.648 176.192 176.870 -0.050 0.000 1.007 355 L CA -0.834 53.967 54.840 -0.064 0.000 0.818 355 L CB 1.525 43.553 42.059 -0.052 0.000 1.284 355 L HN 0.315 nan 8.230 nan 0.000 0.424 356 L N 2.349 123.531 121.223 -0.069 0.000 2.371 356 L HA 0.644 4.984 4.340 0.001 0.000 0.262 356 L C -0.572 176.281 176.870 -0.029 0.000 1.006 356 L CA -0.797 54.019 54.840 -0.041 0.000 0.818 356 L CB 2.563 44.586 42.059 -0.060 0.000 1.354 356 L HN 0.561 nan 8.230 nan 0.000 0.415 357 R N 1.746 122.260 120.500 0.023 0.000 2.711 357 R HA 0.653 4.994 4.340 0.001 0.000 0.284 357 R C -1.111 175.201 176.300 0.020 0.000 0.968 357 R CA -0.959 55.146 56.100 0.008 0.000 0.924 357 R CB 2.065 32.363 30.300 -0.003 0.000 1.162 357 R HN 0.394 nan 8.270 nan 0.000 0.465 358 M N 3.164 122.754 119.600 -0.016 0.000 2.088 358 M HA 0.290 4.771 4.480 0.001 0.000 0.346 358 M C -0.438 175.747 176.300 -0.192 0.000 1.111 358 M CA -0.547 54.746 55.300 -0.012 0.000 1.017 358 M CB 0.849 33.505 32.600 0.093 0.000 1.568 358 M HN 0.552 nan 8.290 nan 0.000 0.445 359 H N 0.798 119.733 119.070 -0.225 0.000 2.580 359 H HA 0.539 5.096 4.556 0.001 0.000 0.324 359 H C 1.165 176.391 175.328 -0.170 0.000 1.436 359 H CA 0.076 55.961 56.048 -0.271 0.000 1.464 359 H CB 0.765 30.188 29.762 -0.564 0.000 1.752 359 H HN 0.783 nan 8.280 nan 0.000 0.726 360 A N 0.169 123.007 122.820 0.031 0.000 1.972 360 A HA -0.158 4.162 4.320 0.001 0.000 0.219 360 A C 1.238 178.856 177.584 0.057 0.000 1.169 360 A CA 1.840 53.899 52.037 0.036 0.000 0.635 360 A CB -0.144 18.891 19.000 0.058 0.000 0.810 360 A HN 0.680 nan 8.150 nan 0.000 0.446 361 N N -1.659 117.092 118.700 0.085 0.000 2.145 361 N HA 0.104 4.845 4.740 0.001 0.000 0.219 361 N C -0.226 175.387 175.510 0.171 0.000 1.266 361 N CA 0.331 53.459 53.050 0.131 0.000 0.902 361 N CB 0.641 39.227 38.487 0.165 0.000 1.078 361 N HN 0.854 nan 8.380 nan 0.000 0.513 362 H N -1.291 117.820 119.070 0.069 0.000 2.990 362 H HA 0.498 5.055 4.556 0.001 0.000 0.336 362 H C -1.081 174.302 175.328 0.090 0.000 1.306 362 H CA -0.753 55.314 56.048 0.031 0.000 1.118 362 H CB 1.114 30.862 29.762 -0.023 0.000 1.856 362 H HN -0.189 nan 8.280 nan 0.000 0.538 363 R N 0.825 121.385 120.500 0.100 0.000 2.589 363 R HA 0.406 4.747 4.340 0.001 0.000 0.293 363 R C -0.548 175.852 176.300 0.167 0.000 0.963 363 R CA -0.931 55.222 56.100 0.089 0.000 0.905 363 R CB 2.352 32.681 30.300 0.048 0.000 1.144 363 R HN 0.712 nan 8.270 nan 0.000 0.459 364 E N 2.519 122.828 120.200 0.182 0.000 2.187 364 E HA 0.105 4.455 4.350 0.001 0.000 0.268 364 E C -1.148 175.513 176.600 0.102 0.000 0.896 364 E CA -0.605 55.901 56.400 0.176 0.000 0.766 364 E CB 1.820 31.674 29.700 0.258 0.000 1.142 364 E HN 0.614 nan 8.360 nan 0.000 0.408 365 E N 3.866 124.104 120.200 0.063 0.000 2.194 365 E HA 0.236 4.587 4.350 0.001 0.000 0.284 365 E C -0.498 176.123 176.600 0.035 0.000 1.035 365 E CA -0.637 55.781 56.400 0.031 0.000 0.836 365 E CB 1.116 30.822 29.700 0.010 0.000 1.070 365 E HN 0.406 nan 8.360 nan 0.000 0.401 366 V N 1.670 121.599 119.914 0.026 0.000 2.769 366 V HA 0.383 4.504 4.120 0.001 0.000 0.312 366 V C 0.632 176.726 176.094 -0.000 0.000 1.058 366 V CA -0.676 61.639 62.300 0.024 0.000 0.952 366 V CB 1.872 33.718 31.823 0.038 0.000 1.019 366 V HN 0.732 nan 8.190 nan 0.000 0.445 367 E N 1.138 121.337 120.200 -0.002 0.000 2.299 367 E HA 0.111 4.461 4.350 0.001 0.000 0.193 367 E C 0.603 177.188 176.600 -0.026 0.000 0.998 367 E CA 1.198 57.589 56.400 -0.015 0.000 0.851 367 E CB 0.272 29.965 29.700 -0.011 0.000 0.795 367 E HN 0.955 nan 8.360 nan 0.000 0.492 368 E N -1.493 118.690 120.200 -0.029 0.000 2.437 368 E HA 0.373 4.723 4.350 0.001 0.000 0.280 368 E C -1.516 175.047 176.600 -0.060 0.000 1.044 368 E CA -0.901 55.469 56.400 -0.050 0.000 0.826 368 E CB 0.661 30.322 29.700 -0.065 0.000 1.358 368 E HN -0.069 nan 8.360 nan 0.000 0.459 369 L N 1.503 122.678 121.223 -0.081 0.000 2.482 369 L HA 0.473 4.813 4.340 0.001 0.000 0.269 369 L C -0.855 175.933 176.870 -0.135 0.000 0.967 369 L CA -0.296 54.491 54.840 -0.088 0.000 0.851 369 L CB 1.664 43.692 42.059 -0.051 0.000 1.242 369 L HN 0.610 nan 8.230 nan 0.000 0.404 370 K N 1.627 121.885 120.400 -0.237 0.000 2.210 370 K HA 0.855 5.176 4.320 0.001 0.000 0.236 370 K C -0.190 176.323 176.600 -0.146 0.000 1.016 370 K CA -0.816 55.282 56.287 -0.315 0.000 0.913 370 K CB 1.075 33.079 32.500 -0.828 0.000 1.141 370 K HN 0.646 nan 8.250 nan 0.000 0.462 371 A N 0.371 123.156 122.820 -0.059 0.000 2.567 371 A HA 0.353 4.674 4.320 0.001 0.000 0.240 371 A C 1.061 178.716 177.584 0.118 0.000 1.053 371 A CA 1.096 53.161 52.037 0.048 0.000 0.755 371 A CB -1.149 17.910 19.000 0.097 0.000 0.978 371 A HN 0.885 nan 8.150 nan 0.000 0.507 372 G N 1.511 110.328 108.800 0.028 0.000 2.175 372 G HA2 -0.179 3.782 3.960 0.001 0.000 0.244 372 G HA3 -0.179 3.782 3.960 0.001 0.000 0.244 372 G C -0.016 174.890 174.900 0.009 0.000 0.982 372 G CA 0.406 45.520 45.100 0.023 0.000 0.641 372 G HN 0.938 nan 8.290 nan 0.000 0.527 373 D N -0.418 119.985 120.400 0.006 0.000 2.392 373 D HA 0.798 5.439 4.640 0.001 0.000 0.246 373 D C -0.130 176.156 176.300 -0.023 0.000 1.013 373 D CA -0.280 53.731 54.000 0.018 0.000 0.993 373 D CB 1.677 42.514 40.800 0.061 0.000 1.219 373 D HN 0.123 nan 8.370 nan 0.000 0.538 374 L N 0.171 121.401 121.223 0.011 0.000 2.409 374 L HA 0.833 5.173 4.340 0.001 0.000 0.262 374 L C 0.591 177.511 176.870 0.083 0.000 0.992 374 L CA -0.416 54.466 54.840 0.071 0.000 0.817 374 L CB 2.370 44.496 42.059 0.111 0.000 1.350 374 L HN 0.550 nan 8.230 nan 0.000 0.411 375 G N 0.133 109.005 108.800 0.120 0.000 2.490 375 G HA2 0.777 4.737 3.960 0.001 0.000 0.308 375 G HA3 0.777 4.737 3.960 0.001 0.000 0.308 375 G C -2.217 172.674 174.900 -0.017 0.000 1.286 375 G CA 0.010 45.150 45.100 0.068 0.000 0.825 375 G HN 0.767 nan 8.290 nan 0.000 0.479 376 A N -0.924 121.769 122.820 -0.212 0.000 2.374 376 A HA 0.869 5.190 4.320 0.001 0.000 0.317 376 A C -0.339 177.064 177.584 -0.302 0.000 1.094 376 A CA -0.159 51.570 52.037 -0.513 0.000 0.765 376 A CB 1.694 20.107 19.000 -0.978 0.000 1.268 376 A HN 2.197 nan 8.150 nan 0.000 0.438 377 V N 0.740 120.484 119.914 -0.284 0.000 2.513 377 V HA 0.831 4.952 4.120 0.001 0.000 0.299 377 V C -0.562 175.432 176.094 -0.167 0.000 1.035 377 V CA -0.601 61.593 62.300 -0.176 0.000 0.889 377 V CB 1.259 33.010 31.823 -0.121 0.000 0.988 377 V HN 0.740 nan 8.190 nan 0.000 0.440 378 V N 4.982 124.822 119.914 -0.122 0.000 2.427 378 V HA 0.866 4.987 4.120 0.001 0.000 0.286 378 V C 1.304 177.352 176.094 -0.076 0.000 1.034 378 V CA 0.498 62.741 62.300 -0.095 0.000 0.893 378 V CB 0.278 32.056 31.823 -0.074 0.000 0.982 378 V HN 1.719 nan 8.190 nan 0.000 0.452 379 G N 3.511 112.272 108.800 -0.064 0.000 2.201 379 G HA2 -0.164 3.797 3.960 0.001 0.000 0.212 379 G HA3 -0.164 3.797 3.960 0.001 0.000 0.212 379 G C -0.238 174.637 174.900 -0.042 0.000 0.994 379 G CA -0.449 44.620 45.100 -0.050 0.000 0.644 379 G HN 0.518 nan 8.290 nan 0.000 0.508 380 L N 0.661 121.854 121.223 -0.050 0.000 2.461 380 L HA 0.504 4.845 4.340 0.001 0.000 0.272 380 L C 1.546 178.398 176.870 -0.030 0.000 1.197 380 L CA 0.653 55.470 54.840 -0.039 0.000 0.836 380 L CB 0.994 43.023 42.059 -0.049 0.000 1.105 380 L HN 0.061 nan 8.230 nan 0.000 0.477 381 K N 1.142 121.530 120.400 -0.021 0.000 2.380 381 K HA 0.216 4.536 4.320 0.001 0.000 0.200 381 K C 0.480 177.070 176.600 -0.017 0.000 1.201 381 K CA 0.505 56.783 56.287 -0.015 0.000 0.916 381 K CB 0.666 33.162 32.500 -0.006 0.000 1.187 381 K HN 0.547 nan 8.250 nan 0.000 0.498 382 E N 0.961 121.147 120.200 -0.024 0.000 2.603 382 E HA 0.122 4.473 4.350 0.001 0.000 0.211 382 E C -0.553 176.026 176.600 -0.034 0.000 0.995 382 E CA 0.062 56.444 56.400 -0.029 0.000 0.990 382 E CB 1.267 30.945 29.700 -0.037 0.000 1.036 382 E HN -0.042 nan 8.360 nan 0.000 0.475 383 T N 2.931 117.466 114.554 -0.032 0.000 2.727 383 T HA 0.395 4.746 4.350 0.001 0.000 0.298 383 T C 0.638 175.328 174.700 -0.018 0.000 0.942 383 T CA -0.299 61.783 62.100 -0.030 0.000 0.997 383 T CB 0.223 69.071 68.868 -0.033 0.000 0.917 383 T HN 0.144 nan 8.240 nan 0.000 0.487 384 I N 0.365 120.929 120.570 -0.011 0.000 2.924 384 I HA 0.653 4.824 4.170 0.001 0.000 0.316 384 I C 0.664 176.789 176.117 0.014 0.000 1.014 384 I CA -1.007 60.295 61.300 0.002 0.000 1.106 384 I CB 1.170 39.169 38.000 -0.002 0.000 1.311 384 I HN 0.347 nan 8.210 nan 0.000 0.502 385 T N 2.088 116.659 114.554 0.029 0.000 2.916 385 T HA 0.435 4.785 4.350 0.001 0.000 0.303 385 T C 1.001 175.737 174.700 0.060 0.000 1.025 385 T CA 0.769 62.898 62.100 0.049 0.000 1.142 385 T CB 0.079 68.984 68.868 0.062 0.000 0.947 385 T HN 1.470 nan 8.240 nan 0.000 0.544 386 G N 4.013 112.863 108.800 0.084 0.000 2.213 386 G HA2 -0.179 3.781 3.960 0.001 0.000 0.236 386 G HA3 -0.179 3.781 3.960 0.001 0.000 0.236 386 G C -0.140 174.796 174.900 0.059 0.000 0.991 386 G CA 0.046 45.190 45.100 0.074 0.000 0.629 386 G HN 0.764 nan 8.290 nan 0.000 0.517 387 D N 1.326 121.754 120.400 0.048 0.000 2.345 387 D HA 0.540 5.181 4.640 0.001 0.000 0.247 387 D C 0.458 176.786 176.300 0.046 0.000 1.108 387 D CA 0.574 54.592 54.000 0.030 0.000 0.894 387 D CB 1.101 41.905 40.800 0.006 0.000 1.203 387 D HN 0.058 nan 8.370 nan 0.000 0.430 388 T N 2.444 117.021 114.554 0.037 0.000 2.799 388 T HA 0.391 4.742 4.350 0.001 0.000 0.286 388 T C -0.257 174.470 174.700 0.046 0.000 0.973 388 T CA -0.588 61.546 62.100 0.056 0.000 1.035 388 T CB 0.542 69.442 68.868 0.053 0.000 0.932 388 T HN -0.001 nan 8.240 nan 0.000 0.469 389 L N 4.482 125.744 121.223 0.065 0.000 2.329 389 L HA 0.701 5.042 4.340 0.001 0.000 0.279 389 L C 0.041 176.966 176.870 0.091 0.000 1.014 389 L CA -0.678 54.200 54.840 0.062 0.000 0.814 389 L CB 1.504 43.591 42.059 0.047 0.000 1.257 389 L HN 0.530 nan 8.230 nan 0.000 0.424 390 V N -0.356 119.630 119.914 0.120 0.000 3.074 390 V HA 0.987 5.107 4.120 0.001 0.000 0.314 390 V C 0.393 176.559 176.094 0.121 0.000 1.117 390 V CA -0.747 61.626 62.300 0.121 0.000 1.014 390 V CB 1.437 33.337 31.823 0.129 0.000 1.057 390 V HN 0.784 nan 8.190 nan 0.000 0.438 391 G N 0.592 109.445 108.800 0.088 0.000 2.554 391 G HA2 0.251 4.211 3.960 0.001 0.000 0.238 391 G HA3 0.251 4.211 3.960 0.001 0.000 0.238 391 G C 0.414 175.363 174.900 0.081 0.000 1.259 391 G CA 0.441 45.587 45.100 0.076 0.000 0.843 391 G HN 1.071 nan 8.290 nan 0.000 0.582 392 E N 0.126 120.374 120.200 0.081 0.000 2.118 392 E HA -0.110 4.241 4.350 0.001 0.000 0.195 392 E C 1.257 177.856 176.600 -0.003 0.000 0.992 392 E CA 1.612 58.052 56.400 0.067 0.000 0.804 392 E CB 0.017 29.769 29.700 0.087 0.000 0.741 392 E HN 0.585 nan 8.360 nan 0.000 0.458 393 D N -0.863 119.537 120.400 0.000 0.000 2.501 393 D HA 0.306 4.947 4.640 0.001 0.000 0.226 393 D C -0.705 175.586 176.300 -0.014 0.000 1.198 393 D CA 0.205 54.190 54.000 -0.024 0.000 0.830 393 D CB 0.673 41.463 40.800 -0.017 0.000 1.014 393 D HN 0.192 nan 8.370 nan 0.000 0.496 394 A N 1.152 123.974 122.820 0.003 0.000 2.313 394 A HA 0.509 4.830 4.320 0.001 0.000 0.261 394 A C -2.140 175.449 177.584 0.008 0.000 1.090 394 A CA -1.083 50.964 52.037 0.017 0.000 0.807 394 A CB 0.012 19.037 19.000 0.041 0.000 1.055 394 A HN -0.027 nan 8.150 nan 0.000 0.492 395 P HA 0.234 nan 4.420 nan 0.000 0.267 395 P C -0.391 176.927 177.300 0.030 0.000 1.205 395 P CA 0.019 63.128 63.100 0.014 0.000 0.765 395 P CB 0.317 32.029 31.700 0.019 0.000 0.828 396 R N 2.633 123.149 120.500 0.027 0.000 4.556 396 R HA 0.144 4.485 4.340 0.001 0.000 0.197 396 R C -0.062 176.275 176.300 0.063 0.000 1.791 396 R CA -0.250 55.888 56.100 0.063 0.000 1.526 396 R CB -1.305 29.025 30.300 0.050 0.000 1.410 396 R HN 0.346 nan 8.270 nan 0.000 0.826 397 V N -1.001 118.946 119.914 0.054 0.000 2.904 397 V HA 0.541 4.661 4.120 0.001 0.000 0.305 397 V C 0.382 176.498 176.094 0.037 0.000 1.067 397 V CA -0.779 61.542 62.300 0.035 0.000 1.044 397 V CB 1.447 33.281 31.823 0.017 0.000 1.050 397 V HN 0.227 nan 8.190 nan 0.000 0.475 398 I N 2.510 123.090 120.570 0.018 0.000 2.498 398 I HA 0.362 4.532 4.170 0.001 0.000 0.290 398 I C 0.027 176.137 176.117 -0.013 0.000 1.032 398 I CA -0.481 60.826 61.300 0.013 0.000 1.073 398 I CB 2.052 40.062 38.000 0.016 0.000 1.251 398 I HN 0.492 nan 8.210 nan 0.000 0.426 399 L N 3.843 125.056 121.223 -0.017 0.000 2.470 399 L HA 0.328 4.669 4.340 0.001 0.000 0.219 399 L C 0.578 177.419 176.870 -0.048 0.000 1.071 399 L CA 0.954 55.759 54.840 -0.059 0.000 0.850 399 L CB -0.063 41.952 42.059 -0.073 0.000 1.040 399 L HN 0.523 nan 8.230 nan 0.000 0.475 400 E N -0.384 119.808 120.200 -0.014 0.000 2.224 400 E HA 0.305 4.655 4.350 0.001 0.000 0.265 400 E C -0.452 176.150 176.600 0.002 0.000 0.878 400 E CA -0.406 55.992 56.400 -0.004 0.000 0.759 400 E CB 1.406 31.116 29.700 0.016 0.000 1.164 400 E HN 0.112 nan 8.360 nan 0.000 0.414 401 S N 1.765 117.465 115.700 0.001 0.000 2.515 401 S HA 0.128 4.599 4.470 0.001 0.000 0.285 401 S C 0.657 175.264 174.600 0.011 0.000 1.265 401 S CA -0.401 57.801 58.200 0.003 0.000 1.079 401 S CB 0.123 63.323 63.200 -0.000 0.000 0.877 401 S HN 0.528 nan 8.310 nan 0.000 0.493 402 I N 1.196 121.773 120.570 0.011 0.000 2.406 402 I HA 0.748 4.919 4.170 0.001 0.000 0.293 402 I C 1.119 177.246 176.117 0.015 0.000 1.101 402 I CA 0.082 61.389 61.300 0.013 0.000 1.334 402 I CB -1.158 36.848 38.000 0.010 0.000 1.421 402 I HN 1.122 nan 8.210 nan 0.000 0.513 403 E N 3.783 123.995 120.200 0.021 0.000 2.474 403 E HA 0.431 4.782 4.350 0.001 0.000 0.215 403 E C 1.047 177.667 176.600 0.034 0.000 0.867 403 E CA 0.711 57.127 56.400 0.027 0.000 1.135 403 E CB 0.020 29.737 29.700 0.029 0.000 1.147 403 E HN 2.328 nan 8.360 nan 0.000 0.534 404 V N 2.601 122.532 119.914 0.027 0.000 5.580 404 V HA -0.158 3.963 4.120 0.001 0.000 0.301 404 V C -2.102 174.013 176.094 0.036 0.000 0.703 404 V CA 0.245 62.558 62.300 0.021 0.000 1.110 404 V CB -1.097 30.730 31.823 0.007 0.000 1.297 404 V HN 0.576 nan 8.190 nan 0.000 0.440 405 P HA 0.550 nan 4.420 nan 0.000 0.280 405 P C -0.024 177.291 177.300 0.025 0.000 1.278 405 P CA 0.923 64.064 63.100 0.069 0.000 0.787 405 P CB 0.377 32.130 31.700 0.090 0.000 1.163 406 E N -0.135 120.067 120.200 0.003 0.000 2.232 406 E HA 0.497 4.847 4.350 0.001 0.000 0.264 406 E C -2.557 173.970 176.600 -0.122 0.000 0.973 406 E CA -1.831 54.502 56.400 -0.113 0.000 0.849 406 E CB -0.027 29.478 29.700 -0.325 0.000 1.198 406 E HN 0.391 nan 8.360 nan 0.000 0.407 407 P HA 0.352 nan 4.420 nan 0.000 0.245 407 P C -0.055 177.176 177.300 -0.116 0.000 1.740 407 P CA -0.247 62.799 63.100 -0.090 0.000 1.125 407 P CB 0.838 32.508 31.700 -0.051 0.000 1.747 408 V N 3.021 122.861 119.914 -0.123 0.000 3.125 408 V HA 0.137 4.257 4.120 0.001 0.000 0.249 408 V C 1.146 177.203 176.094 -0.062 0.000 1.113 408 V CA 0.753 62.972 62.300 -0.135 0.000 1.106 408 V CB -0.001 31.732 31.823 -0.149 0.000 0.768 408 V HN 0.319 nan 8.190 nan 0.000 0.468 409 I N 0.120 120.681 120.570 -0.015 0.000 2.525 409 I HA 0.452 4.623 4.170 0.001 0.000 0.301 409 I C -0.973 175.175 176.117 0.051 0.000 0.992 409 I CA -0.500 60.820 61.300 0.034 0.000 1.162 409 I CB 1.722 39.760 38.000 0.064 0.000 1.332 409 I HN 0.058 nan 8.210 nan 0.000 0.458 410 D N 3.861 124.307 120.400 0.077 0.000 2.619 410 D HA 0.546 5.186 4.640 0.001 0.000 0.241 410 D C -1.030 175.313 176.300 0.071 0.000 1.087 410 D CA -0.116 53.931 54.000 0.079 0.000 0.851 410 D CB 2.641 43.508 40.800 0.111 0.000 1.474 410 D HN 0.240 nan 8.370 nan 0.000 0.478 411 V N -1.110 118.837 119.914 0.054 0.000 2.524 411 V HA 0.769 4.889 4.120 0.001 0.000 0.297 411 V C -0.031 176.080 176.094 0.029 0.000 1.035 411 V CA -1.281 61.042 62.300 0.038 0.000 0.867 411 V CB 1.321 33.162 31.823 0.029 0.000 1.004 411 V HN 0.624 nan 8.190 nan 0.000 0.426 412 A N 3.545 126.378 122.820 0.022 0.000 2.655 412 A HA 0.649 4.969 4.320 0.001 0.000 0.297 412 A C 0.936 178.523 177.584 0.006 0.000 1.461 412 A CA 0.577 52.621 52.037 0.013 0.000 1.146 412 A CB -0.263 18.742 19.000 0.007 0.000 1.108 412 A HN 2.099 nan 8.150 nan 0.000 0.550 413 I N 0.614 121.188 120.570 0.007 0.000 3.806 413 I HA 0.565 4.736 4.170 0.001 0.000 0.321 413 I C 0.889 177.004 176.117 -0.002 0.000 1.315 413 I CA 0.788 62.089 61.300 0.001 0.000 1.148 413 I CB -1.637 36.365 38.000 0.003 0.000 1.028 413 I HN 0.844 nan 8.210 nan 0.000 0.415 414 E N 1.863 122.061 120.200 -0.002 0.000 2.152 414 E HA 0.574 4.925 4.350 0.001 0.000 0.285 414 E C -1.926 174.670 176.600 -0.007 0.000 1.043 414 E CA -1.493 54.904 56.400 -0.005 0.000 0.839 414 E CB -0.521 29.176 29.700 -0.005 0.000 1.069 414 E HN 0.728 nan 8.360 nan 0.000 0.399 436 P HA 0.248 nan 4.420 nan 0.000 0.252 436 P C 0.125 177.284 177.300 -0.235 0.000 1.694 436 P CA 1.312 64.248 63.100 -0.272 0.000 1.163 436 P CB -1.173 30.485 31.700 -0.070 0.000 1.934 437 T N -1.643 112.779 114.554 -0.220 0.000 4.040 437 T HA -0.262 4.088 4.350 0.001 0.000 0.341 437 T C 0.041 174.744 174.700 0.005 0.000 0.758 437 T CA 1.006 63.051 62.100 -0.091 0.000 1.893 437 T CB -3.261 65.603 68.868 -0.006 0.000 1.886 437 T HN 0.440 nan 8.240 nan 0.000 0.833 438 F N -0.354 119.601 119.950 0.008 0.000 2.550 438 F HA 0.744 5.271 4.527 0.001 0.000 0.312 438 F C 0.119 175.921 175.800 0.003 0.000 1.256 438 F CA -1.677 56.326 58.000 0.005 0.000 1.182 438 F CB 0.023 39.025 39.000 0.003 0.000 1.383 438 F HN 0.079 nan 8.300 nan 0.000 0.541 439 S N 1.309 117.025 115.700 0.026 0.000 2.528 439 S HA 0.628 5.098 4.470 0.001 0.000 0.277 439 S C 0.224 174.856 174.600 0.054 0.000 1.297 439 S CA -0.333 57.868 58.200 0.002 0.000 1.052 439 S CB 1.225 64.409 63.200 -0.027 0.000 0.917 439 S HN 0.681 nan 8.310 nan 0.000 0.492 440 V N 2.256 122.201 119.914 0.052 0.000 2.448 440 V HA 0.806 4.927 4.120 0.001 0.000 0.295 440 V C 0.131 176.241 176.094 0.027 0.000 1.025 440 V CA -0.827 61.503 62.300 0.050 0.000 0.859 440 V CB 1.501 33.363 31.823 0.065 0.000 0.988 440 V HN 0.925 nan 8.190 nan 0.000 0.431 441 S N 2.498 118.211 115.700 0.021 0.000 2.697 441 S HA 0.919 5.390 4.470 0.001 0.000 0.289 441 S C -0.412 174.191 174.600 0.006 0.000 1.149 441 S CA -0.196 58.010 58.200 0.010 0.000 0.850 441 S CB 2.026 65.231 63.200 0.008 0.000 1.151 441 S HN 1.918 nan 8.310 nan 0.000 0.491 442 T N -0.696 113.856 114.554 -0.003 0.000 3.109 442 T HA 0.694 5.044 4.350 0.001 0.000 0.311 442 T C -0.260 174.429 174.700 -0.018 0.000 1.011 442 T CA 0.559 62.653 62.100 -0.009 0.000 1.026 442 T CB 0.289 69.151 68.868 -0.009 0.000 1.047 442 T HN 1.531 nan 8.240 nan 0.000 0.448 443 H N 1.999 121.054 119.070 -0.025 0.000 5.276 443 H HA 0.842 5.398 4.556 0.001 0.000 0.086 443 H C -2.029 173.270 175.328 -0.047 0.000 1.309 443 H CA 0.562 56.589 56.048 -0.035 0.000 0.458 443 H CB -0.506 29.235 29.762 -0.035 0.000 1.614 443 H HN 0.929 nan 8.280 nan 0.000 0.093 444 P HA 0.692 nan 4.420 nan 0.000 0.287 444 P C 0.068 177.316 177.300 -0.087 0.000 1.270 444 P CA 1.869 64.918 63.100 -0.085 0.000 0.844 444 P CB 0.155 31.782 31.700 -0.122 0.000 1.068 445 E N -1.101 119.049 120.200 -0.084 0.000 2.265 445 E HA 0.195 4.545 4.350 0.001 0.000 0.245 445 E C 0.488 177.060 176.600 -0.046 0.000 1.150 445 E CA 1.319 57.680 56.400 -0.066 0.000 0.720 445 E CB -2.635 27.026 29.700 -0.066 0.000 1.245 445 E HN 2.014 nan 8.360 nan 0.000 0.403 446 T N -0.381 114.148 114.554 -0.043 0.000 2.723 446 T HA 0.512 4.862 4.350 0.001 0.000 0.260 446 T C 2.383 177.067 174.700 -0.027 0.000 1.019 446 T CA 2.286 64.366 62.100 -0.034 0.000 1.155 446 T CB -0.365 68.484 68.868 -0.032 0.000 1.024 446 T HN 2.250 nan 8.240 nan 0.000 0.491 447 G N 1.657 110.443 108.800 -0.023 0.000 2.221 447 G HA2 0.047 4.007 3.960 0.001 0.000 0.265 447 G HA3 0.047 4.007 3.960 0.001 0.000 0.265 447 G C 0.312 175.202 174.900 -0.016 0.000 1.041 447 G CA 0.674 45.763 45.100 -0.018 0.000 0.807 447 G HN 1.738 nan 8.290 nan 0.000 0.502 448 S N -0.102 115.587 115.700 -0.017 0.000 2.733 448 S HA 0.742 5.212 4.470 0.001 0.000 0.294 448 S C 0.174 174.769 174.600 -0.010 0.000 1.149 448 S CA 0.436 58.628 58.200 -0.014 0.000 1.034 448 S CB 1.171 64.361 63.200 -0.017 0.000 1.015 448 S HN 1.199 nan 8.310 nan 0.000 0.486 449 T N 3.103 117.655 114.554 -0.004 0.000 2.907 449 T HA 0.764 5.115 4.350 0.001 0.000 0.284 449 T C -0.061 174.645 174.700 0.010 0.000 1.004 449 T CA -0.664 61.438 62.100 0.002 0.000 1.063 449 T CB 0.627 69.498 68.868 0.005 0.000 0.992 449 T HN 0.517 nan 8.240 nan 0.000 0.483 450 I N 0.352 120.933 120.570 0.017 0.000 2.740 450 I HA 0.707 4.878 4.170 0.001 0.000 0.303 450 I C 0.014 176.153 176.117 0.037 0.000 1.044 450 I CA -1.522 59.794 61.300 0.027 0.000 1.064 450 I CB 1.929 39.948 38.000 0.031 0.000 1.249 450 I HN 0.753 nan 8.210 nan 0.000 0.433 451 I N 2.411 123.007 120.570 0.044 0.000 2.502 451 I HA 0.800 4.971 4.170 0.001 0.000 0.276 451 I C 0.605 176.759 176.117 0.061 0.000 1.057 451 I CA -0.422 60.915 61.300 0.060 0.000 1.163 451 I CB 0.211 38.248 38.000 0.063 0.000 1.288 451 I HN 0.830 nan 8.210 nan 0.000 0.479 452 S N 2.398 118.130 115.700 0.053 0.000 2.584 452 S HA 0.915 5.385 4.470 0.001 0.000 0.273 452 S C 0.783 175.407 174.600 0.039 0.000 1.311 452 S CA 0.219 58.444 58.200 0.042 0.000 1.034 452 S CB 0.809 64.026 63.200 0.027 0.000 0.939 452 S HN 2.149 nan 8.310 nan 0.000 0.513 453 G N 0.388 109.206 108.800 0.030 0.000 2.726 453 G HA2 0.655 4.616 3.960 0.001 0.000 0.198 453 G HA3 0.655 4.616 3.960 0.001 0.000 0.198 453 G C -1.313 173.594 174.900 0.012 0.000 1.195 453 G CA -0.252 44.865 45.100 0.028 0.000 0.951 453 G HN 0.828 nan 8.290 nan 0.000 0.532 454 M N -0.193 119.420 119.600 0.021 0.000 2.471 454 M HA 0.510 4.991 4.480 0.001 0.000 0.284 454 M C -0.609 175.696 176.300 0.009 0.000 1.203 454 M CA 0.582 55.890 55.300 0.013 0.000 0.915 454 M CB 1.983 34.597 32.600 0.024 0.000 1.734 454 M HN 2.261 nan 8.290 nan 0.000 0.485 455 G N 3.112 111.909 108.800 -0.004 0.000 3.450 455 G HA2 -0.166 3.794 3.960 0.001 0.000 0.668 455 G HA3 -0.166 3.794 3.960 0.001 0.000 0.668 455 G C 0.043 174.954 174.900 0.018 0.000 0.941 455 G CA 0.391 45.482 45.100 -0.016 0.000 0.766 455 G HN 1.040 nan 8.290 nan 0.000 0.451 456 E N 1.082 121.313 120.200 0.051 0.000 2.055 456 E HA -0.220 4.131 4.350 0.001 0.000 0.209 456 E C 2.264 178.898 176.600 0.056 0.000 1.036 456 E CA 1.571 58.026 56.400 0.091 0.000 0.849 456 E CB -0.082 29.707 29.700 0.150 0.000 0.767 456 E HN 0.509 nan 8.360 nan 0.000 0.461 457 L N 0.396 121.636 121.223 0.028 0.000 2.313 457 L HA -0.034 4.307 4.340 0.001 0.000 0.214 457 L C 2.508 179.377 176.870 -0.002 0.000 1.119 457 L CA 1.018 55.857 54.840 -0.002 0.000 0.809 457 L CB -0.791 41.253 42.059 -0.025 0.000 0.933 457 L HN 0.198 nan 8.230 nan 0.000 0.449 458 S N -0.136 115.563 115.700 -0.000 0.000 2.395 458 S HA -0.054 4.416 4.470 0.001 0.000 0.225 458 S C 2.136 176.754 174.600 0.030 0.000 1.027 458 S CA 1.297 59.502 58.200 0.009 0.000 0.965 458 S CB 0.051 63.241 63.200 -0.016 0.000 0.812 458 S HN 0.340 nan 8.310 nan 0.000 0.482 459 L N 1.193 122.435 121.223 0.033 0.000 2.240 459 L HA 0.363 4.703 4.340 0.001 0.000 0.211 459 L C 1.483 178.379 176.870 0.042 0.000 1.106 459 L CA 1.408 56.279 54.840 0.053 0.000 0.793 459 L CB -1.163 40.926 42.059 0.051 0.000 0.927 459 L HN 0.434 nan 8.230 nan 0.000 0.446 460 E N 0.703 120.912 120.200 0.014 0.000 1.775 460 E HA 0.402 4.753 4.350 0.001 0.000 0.266 460 E C 0.714 177.280 176.600 -0.057 0.000 1.191 460 E CA 0.526 56.913 56.400 -0.021 0.000 1.048 460 E CB 0.332 30.012 29.700 -0.033 0.000 1.081 460 E HN 0.578 nan 8.360 nan 0.000 0.434 461 I N 2.034 122.579 120.570 -0.041 0.000 4.338 461 I HA 0.118 4.289 4.170 0.001 0.000 0.315 461 I C 2.128 178.189 176.117 -0.093 0.000 1.262 461 I CA 0.927 62.190 61.300 -0.062 0.000 1.298 461 I CB -0.694 37.302 38.000 -0.007 0.000 1.257 461 I HN 0.434 nan 8.210 nan 0.000 0.444 462 I N 0.356 120.868 120.570 -0.097 0.000 2.761 462 I HA 0.393 4.564 4.170 0.001 0.000 0.261 462 I C 1.373 177.439 176.117 -0.084 0.000 1.198 462 I CA 1.321 62.547 61.300 -0.122 0.000 1.482 462 I CB -0.737 37.180 38.000 -0.139 0.000 1.100 462 I HN 0.303 nan 8.210 nan 0.000 0.445 477 G N 0.295 109.089 108.800 -0.010 0.000 2.557 477 G HA2 0.823 4.784 3.960 0.001 0.000 0.302 477 G HA3 0.823 4.784 3.960 0.001 0.000 0.302 477 G C -0.338 174.552 174.900 -0.017 0.000 1.311 477 G CA -0.007 45.087 45.100 -0.011 0.000 1.030 477 G HN 1.078 nan 8.290 nan 0.000 0.509 478 K N 0.485 120.870 120.400 -0.024 0.000 2.208 478 K HA 0.770 5.090 4.320 0.001 0.000 0.247 478 K C -2.559 174.011 176.600 -0.051 0.000 0.953 478 K CA -1.657 54.601 56.287 -0.049 0.000 0.837 478 K CB 1.121 33.578 32.500 -0.072 0.000 1.131 478 K HN 0.615 nan 8.250 nan 0.000 0.431 479 P HA 0.366 nan 4.420 nan 0.000 0.276 479 P C -0.576 176.685 177.300 -0.064 0.000 1.253 479 P CA 0.180 63.266 63.100 -0.022 0.000 0.766 479 P CB 0.756 32.480 31.700 0.039 0.000 0.845 480 Q N 2.539 122.378 119.800 0.065 0.000 2.342 480 Q HA 0.561 4.901 4.340 0.001 0.000 0.267 480 Q C -0.495 175.596 176.000 0.153 0.000 1.038 480 Q CA -1.018 54.854 55.803 0.116 0.000 0.832 480 Q CB 1.964 30.793 28.738 0.151 0.000 1.323 480 Q HN 0.553 nan 8.270 nan 0.000 0.448 481 V N 1.178 121.149 119.914 0.096 0.000 2.614 481 V HA 0.723 4.844 4.120 0.001 0.000 0.291 481 V C 0.611 176.454 176.094 -0.418 0.000 1.049 481 V CA 0.310 62.482 62.300 -0.213 0.000 1.038 481 V CB 0.807 32.344 31.823 -0.478 0.000 0.980 481 V HN 1.450 nan 8.190 nan 0.000 0.481 482 A N 6.488 129.131 122.820 -0.296 0.000 3.004 482 A HA 0.462 4.783 4.320 0.001 0.000 0.286 482 A C -0.295 177.137 177.584 -0.254 0.000 1.632 482 A CA -0.370 51.557 52.037 -0.183 0.000 1.339 482 A CB -0.999 18.003 19.000 0.004 0.000 1.136 482 A HN 0.873 nan 8.150 nan 0.000 0.577 483 Y N 1.247 121.196 120.300 -0.585 0.000 2.457 483 Y HA 0.323 4.874 4.550 0.001 0.000 0.341 483 Y C 1.232 176.947 175.900 -0.309 0.000 1.240 483 Y CA 0.402 58.203 58.100 -0.498 0.000 1.437 483 Y CB 0.562 38.555 38.460 -0.778 0.000 1.328 483 Y HN 0.501 nan 8.280 nan 0.000 0.588 484 R N 1.100 121.605 120.500 0.007 0.000 2.930 484 R HA 0.571 4.911 4.340 0.001 0.000 0.257 484 R C -1.095 175.216 176.300 0.019 0.000 1.107 484 R CA -1.149 54.926 56.100 -0.041 0.000 0.999 484 R CB 1.901 32.017 30.300 -0.306 0.000 1.209 484 R HN 0.725 nan 8.270 nan 0.000 0.486 485 E N -0.355 119.860 120.200 0.024 0.000 2.356 485 E HA 0.469 4.819 4.350 0.001 0.000 0.275 485 E C -1.099 175.516 176.600 0.024 0.000 0.904 485 E CA -0.504 55.918 56.400 0.038 0.000 0.757 485 E CB 2.881 32.624 29.700 0.072 0.000 1.232 485 E HN 0.430 nan 8.360 nan 0.000 0.442 486 T N 0.662 115.232 114.554 0.027 0.000 2.711 486 T HA 0.595 4.945 4.350 0.001 0.000 0.302 486 T C -1.546 173.174 174.700 0.034 0.000 1.373 486 T CA -0.620 61.500 62.100 0.033 0.000 1.000 486 T CB 0.836 69.721 68.868 0.027 0.000 1.483 486 T HN 0.467 nan 8.240 nan 0.000 0.499 487 I N 0.001 120.594 120.570 0.038 0.000 2.707 487 I HA 0.694 4.865 4.170 0.001 0.000 0.309 487 I C 1.100 177.234 176.117 0.028 0.000 1.001 487 I CA -0.760 60.560 61.300 0.033 0.000 1.129 487 I CB 2.098 40.121 38.000 0.039 0.000 1.308 487 I HN 0.717 nan 8.210 nan 0.000 0.466 488 T N -0.908 113.660 114.554 0.023 0.000 3.044 488 T HA 0.309 4.659 4.350 0.001 0.000 0.260 488 T C 0.183 174.893 174.700 0.016 0.000 1.019 488 T CA -0.189 61.923 62.100 0.019 0.000 0.921 488 T CB -0.251 68.627 68.868 0.017 0.000 1.053 488 T HN 0.839 nan 8.240 nan 0.000 0.533 489 K N 0.497 120.907 120.400 0.017 0.000 2.527 489 K HA 0.629 4.950 4.320 0.001 0.000 0.260 489 K C -3.448 173.160 176.600 0.014 0.000 0.937 489 K CA -2.138 54.157 56.287 0.013 0.000 0.826 489 K CB 1.674 34.181 32.500 0.011 0.000 1.359 489 K HN -0.217 nan 8.250 nan 0.000 0.434 490 P HA 0.018 nan 4.420 nan 0.000 0.269 490 P C -0.279 177.028 177.300 0.011 0.000 1.209 490 P CA -0.417 62.687 63.100 0.006 0.000 0.776 490 P CB 1.063 32.758 31.700 -0.007 0.000 0.876 491 V N -1.648 118.278 119.914 0.020 0.000 3.158 491 V HA 0.764 4.885 4.120 0.001 0.000 0.311 491 V C -0.976 175.141 176.094 0.038 0.000 1.181 491 V CA -0.813 61.505 62.300 0.030 0.000 1.054 491 V CB 2.385 34.232 31.823 0.040 0.000 1.085 491 V HN 0.467 nan 8.190 nan 0.000 0.446 492 D N 0.574 121.007 120.400 0.055 0.000 2.616 492 D HA 0.620 5.260 4.640 0.001 0.000 0.238 492 D C -0.841 175.530 176.300 0.118 0.000 1.354 492 D CA 0.057 54.111 54.000 0.090 0.000 0.970 492 D CB 1.744 42.577 40.800 0.054 0.000 1.369 492 D HN 1.103 nan 8.370 nan 0.000 0.585 493 V N 0.748 120.749 119.914 0.144 0.000 3.167 493 V HA 0.878 4.998 4.120 0.001 0.000 0.310 493 V C -0.870 175.291 176.094 0.112 0.000 1.207 493 V CA -1.025 61.344 62.300 0.115 0.000 1.059 493 V CB 1.895 33.772 31.823 0.090 0.000 1.079 493 V HN 0.535 nan 8.190 nan 0.000 0.446 494 E N 0.446 120.703 120.200 0.095 0.000 2.317 494 E HA 0.783 5.133 4.350 0.001 0.000 0.270 494 E C -0.429 176.229 176.600 0.097 0.000 0.885 494 E CA -0.781 55.675 56.400 0.093 0.000 0.760 494 E CB 2.221 32.012 29.700 0.152 0.000 1.227 494 E HN 1.204 nan 8.360 nan 0.000 0.434 495 G N 1.642 110.503 108.800 0.101 0.000 2.415 495 G HA2 0.524 4.484 3.960 0.001 0.000 0.327 495 G HA3 0.524 4.484 3.960 0.001 0.000 0.327 495 G C -1.232 173.752 174.900 0.139 0.000 1.182 495 G CA -0.807 44.352 45.100 0.098 0.000 0.924 495 G HN 0.395 nan 8.290 nan 0.000 0.470 496 K N 1.796 122.241 120.400 0.074 0.000 2.652 496 K HA 0.356 4.677 4.320 0.001 0.000 0.249 496 K C -2.073 174.504 176.600 -0.038 0.000 0.986 496 K CA -0.713 55.566 56.287 -0.014 0.000 0.867 496 K CB 1.485 33.920 32.500 -0.108 0.000 1.201 496 K HN 0.368 nan 8.250 nan 0.000 0.450 497 F N 6.804 126.598 119.950 -0.259 0.000 2.430 497 F HA 0.530 5.058 4.527 0.001 0.000 0.362 497 F C -1.204 174.391 175.800 -0.341 0.000 1.103 497 F CA -0.573 57.280 58.000 -0.246 0.000 1.045 497 F CB 0.595 39.480 39.000 -0.191 0.000 1.276 497 F HN 0.341 nan 8.300 nan 0.000 0.444 498 I N 6.779 126.970 120.570 -0.632 0.000 2.521 498 I HA 0.433 4.604 4.170 0.001 0.000 0.277 498 I C -0.730 175.076 176.117 -0.519 0.000 1.054 498 I CA -0.486 60.486 61.300 -0.547 0.000 1.117 498 I CB 1.475 39.146 38.000 -0.549 0.000 1.217 498 I HN 0.530 nan 8.210 nan 0.000 0.469 499 R N 3.469 123.664 120.500 -0.507 0.000 2.739 499 R HA 0.407 4.748 4.340 0.001 0.000 0.271 499 R C -1.443 174.722 176.300 -0.225 0.000 1.010 499 R CA -0.547 55.278 56.100 -0.459 0.000 0.897 499 R CB 1.789 31.591 30.300 -0.830 0.000 1.236 499 R HN 0.304 nan 8.270 nan 0.000 0.466 500 Q N 1.962 121.668 119.800 -0.156 0.000 2.430 500 Q HA 0.333 4.674 4.340 0.001 0.000 0.245 500 Q C -1.426 174.545 176.000 -0.048 0.000 1.021 500 Q CA 0.128 55.881 55.803 -0.082 0.000 0.867 500 Q CB 1.606 30.303 28.738 -0.069 0.000 1.210 500 Q HN 0.686 nan 8.270 nan 0.000 0.487 501 T N 0.606 115.156 114.554 -0.007 0.000 3.105 501 T HA 0.516 4.867 4.350 0.001 0.000 0.321 501 T C -0.021 174.702 174.700 0.039 0.000 1.135 501 T CA 0.473 62.590 62.100 0.028 0.000 1.053 501 T CB 0.729 69.647 68.868 0.082 0.000 1.133 501 T HN 0.715 nan 8.240 nan 0.000 0.463 502 G N 2.327 111.144 108.800 0.028 0.000 2.256 502 G HA2 0.160 4.120 3.960 0.001 0.000 0.272 502 G HA3 0.160 4.120 3.960 0.001 0.000 0.272 502 G C 1.241 176.153 174.900 0.020 0.000 1.076 502 G CA 0.914 46.029 45.100 0.025 0.000 0.882 502 G HN 2.207 nan 8.290 nan 0.000 0.497 503 G N -1.367 107.441 108.800 0.013 0.000 2.184 503 G HA2 -0.032 3.928 3.960 0.001 0.000 0.264 503 G HA3 -0.032 3.928 3.960 0.001 0.000 0.264 503 G C 0.361 175.268 174.900 0.012 0.000 0.975 503 G CA 1.480 46.587 45.100 0.011 0.000 0.642 503 G HN 2.177 nan 8.290 nan 0.000 0.536 504 R N -1.331 119.177 120.500 0.013 0.000 2.752 504 R HA 0.658 4.999 4.340 0.001 0.000 0.271 504 R C 0.240 176.541 176.300 0.001 0.000 1.026 504 R CA -0.581 55.526 56.100 0.012 0.000 0.901 504 R CB 0.314 30.630 30.300 0.026 0.000 1.243 504 R HN 0.850 nan 8.270 nan 0.000 0.463 505 G N 0.761 109.551 108.800 -0.017 0.000 2.432 505 G HA2 0.381 4.341 3.960 0.001 0.000 0.257 505 G HA3 0.381 4.341 3.960 0.001 0.000 0.257 505 G C -0.790 174.103 174.900 -0.011 0.000 1.238 505 G CA -0.361 44.709 45.100 -0.049 0.000 0.838 505 G HN 0.323 nan 8.290 nan 0.000 0.547 506 Q N 0.302 120.103 119.800 0.002 0.000 2.323 506 Q HA 0.364 4.705 4.340 0.001 0.000 0.271 506 Q C -1.937 174.114 176.000 0.086 0.000 1.048 506 Q CA -0.774 55.081 55.803 0.085 0.000 0.792 506 Q CB 2.841 31.709 28.738 0.216 0.000 1.280 506 Q HN 0.639 nan 8.270 nan 0.000 0.441 507 Y N 0.013 120.283 120.300 -0.050 0.000 2.298 507 Y HA 0.578 5.129 4.550 0.001 0.000 0.322 507 Y C -1.058 174.661 175.900 -0.301 0.000 1.138 507 Y CA -0.551 57.483 58.100 -0.109 0.000 1.127 507 Y CB 1.560 39.980 38.460 -0.068 0.000 1.178 507 Y HN 0.646 nan 8.280 nan 0.000 0.428 508 G N 3.275 111.818 108.800 -0.427 0.000 2.620 508 G HA2 0.520 4.481 3.960 0.001 0.000 0.301 508 G HA3 0.520 4.481 3.960 0.001 0.000 0.301 508 G C -2.474 172.103 174.900 -0.538 0.000 1.347 508 G CA -0.793 43.666 45.100 -1.068 0.000 0.971 508 G HN 0.726 nan 8.290 nan 0.000 0.488 509 H N 0.369 119.191 119.070 -0.413 0.000 3.224 509 H HA 0.517 5.073 4.556 0.001 0.000 0.331 509 H C -1.076 174.357 175.328 0.176 0.000 1.002 509 H CA -0.615 55.401 56.048 -0.053 0.000 1.473 509 H CB 1.328 31.096 29.762 0.011 0.000 1.830 509 H HN 0.771 nan 8.280 nan 0.000 0.485 510 V N 2.329 122.228 119.914 -0.024 0.000 2.680 510 V HA 0.704 4.825 4.120 0.001 0.000 0.309 510 V C -0.837 175.134 176.094 -0.205 0.000 1.052 510 V CA -0.875 61.377 62.300 -0.080 0.000 0.908 510 V CB 2.031 33.915 31.823 0.101 0.000 1.001 510 V HN 0.656 nan 8.190 nan 0.000 0.431 511 K N 5.310 125.520 120.400 -0.317 0.000 2.270 511 K HA 0.778 5.099 4.320 0.001 0.000 0.255 511 K C -0.876 175.570 176.600 -0.257 0.000 0.936 511 K CA -0.585 55.503 56.287 -0.332 0.000 0.809 511 K CB 2.454 34.566 32.500 -0.647 0.000 1.131 511 K HN 0.949 nan 8.250 nan 0.000 0.427 512 I N -1.408 119.196 120.570 0.057 0.000 2.730 512 I HA 0.515 4.685 4.170 0.001 0.000 0.298 512 I C -1.203 175.103 176.117 0.315 0.000 1.089 512 I CA -1.113 60.314 61.300 0.213 0.000 1.041 512 I CB 2.131 40.227 38.000 0.160 0.000 1.235 512 I HN 0.326 nan 8.210 nan 0.000 0.423 513 K N 3.918 124.468 120.400 0.250 0.000 2.159 513 K HA 0.747 5.067 4.320 0.001 0.000 0.266 513 K C -1.327 175.308 176.600 0.057 0.000 0.975 513 K CA -0.781 55.562 56.287 0.092 0.000 0.865 513 K CB 2.459 34.930 32.500 -0.049 0.000 1.087 513 K HN 0.509 nan 8.250 nan 0.000 0.446 514 V N 2.440 122.383 119.914 0.049 0.000 2.531 514 V HA 0.323 4.443 4.120 0.001 0.000 0.301 514 V C -0.680 175.430 176.094 0.026 0.000 1.034 514 V CA -0.965 61.364 62.300 0.048 0.000 0.865 514 V CB 1.611 33.482 31.823 0.080 0.000 0.995 514 V HN 0.759 nan 8.190 nan 0.000 0.424 515 E N 5.539 125.746 120.200 0.012 0.000 2.244 515 E HA 0.535 4.885 4.350 0.001 0.000 0.266 515 E C -2.717 173.893 176.600 0.018 0.000 0.914 515 E CA -2.066 54.337 56.400 0.005 0.000 0.794 515 E CB 2.644 32.335 29.700 -0.015 0.000 1.210 515 E HN 0.464 nan 8.360 nan 0.000 0.414 516 P HA 0.180 nan 4.420 nan 0.000 0.277 516 P C -1.086 176.224 177.300 0.016 0.000 1.240 516 P CA -0.500 62.615 63.100 0.025 0.000 0.798 516 P CB 0.820 32.535 31.700 0.024 0.000 0.979 517 L N 4.003 125.240 121.223 0.023 0.000 2.330 517 L HA 0.556 4.897 4.340 0.001 0.000 0.271 517 L C -2.165 174.719 176.870 0.023 0.000 1.013 517 L CA -2.640 52.210 54.840 0.017 0.000 0.816 517 L CB 0.377 42.447 42.059 0.018 0.000 1.287 517 L HN 0.254 nan 8.230 nan 0.000 0.435 518 P HA -0.062 nan 4.420 nan 0.000 0.265 518 P C -0.480 176.842 177.300 0.037 0.000 1.167 518 P CA -0.113 63.001 63.100 0.024 0.000 0.760 518 P CB 0.262 31.974 31.700 0.019 0.000 0.783 519 R N 2.596 123.121 120.500 0.042 0.000 2.502 519 R HA 0.290 4.631 4.340 0.001 0.000 0.292 519 R C 1.499 177.843 176.300 0.074 0.000 0.998 519 R CA 1.628 57.765 56.100 0.061 0.000 1.056 519 R CB -1.152 29.191 30.300 0.072 0.000 0.939 519 R HN 0.809 nan 8.270 nan 0.000 0.411 520 G N 2.045 110.895 108.800 0.084 0.000 2.199 520 G HA2 -0.312 3.649 3.960 0.001 0.000 0.254 520 G HA3 -0.312 3.649 3.960 0.001 0.000 0.254 520 G C 0.964 175.910 174.900 0.077 0.000 0.982 520 G CA 0.508 45.666 45.100 0.097 0.000 0.632 520 G HN 0.583 nan 8.290 nan 0.000 0.529 521 S N 0.293 116.030 115.700 0.061 0.000 2.474 521 S HA 0.358 4.829 4.470 0.001 0.000 0.235 521 S C 2.097 176.735 174.600 0.064 0.000 0.997 521 S CA 1.813 60.045 58.200 0.053 0.000 0.949 521 S CB -0.299 62.923 63.200 0.036 0.000 0.766 521 S HN 2.291 nan 8.310 nan 0.000 0.517 522 G N 0.928 109.776 108.800 0.081 0.000 2.503 522 G HA2 -0.222 3.738 3.960 0.001 0.000 0.235 522 G HA3 -0.222 3.738 3.960 0.001 0.000 0.235 522 G C -0.580 174.431 174.900 0.186 0.000 1.179 522 G CA -0.114 45.057 45.100 0.118 0.000 0.944 522 G HN 0.437 nan 8.290 nan 0.000 0.580 523 F N 2.556 122.528 119.950 0.037 0.000 2.540 523 F HA 0.746 5.274 4.527 0.001 0.000 0.317 523 F C -0.404 175.437 175.800 0.067 0.000 1.104 523 F CA -0.744 57.287 58.000 0.052 0.000 0.913 523 F CB 1.899 40.930 39.000 0.052 0.000 1.170 523 F HN 0.555 nan 8.300 nan 0.000 0.450 524 E N 6.001 125.763 120.200 -0.729 0.000 2.256 524 E HA 0.332 4.682 4.350 0.001 0.000 0.268 524 E C -1.957 174.142 176.600 -0.835 0.000 0.877 524 E CA -0.810 55.243 56.400 -0.579 0.000 0.757 524 E CB 3.012 32.552 29.700 -0.267 0.000 1.183 524 E HN 0.532 nan 8.360 nan 0.000 0.418 525 F N 2.730 122.292 119.950 -0.647 0.000 2.529 525 F HA 0.484 5.012 4.527 0.001 0.000 0.320 525 F C -1.473 174.240 175.800 -0.145 0.000 1.118 525 F CA -0.661 57.125 58.000 -0.357 0.000 0.915 525 F CB 1.173 40.102 39.000 -0.119 0.000 1.161 525 F HN 0.199 nan 8.300 nan 0.000 0.445 526 V N 4.883 124.328 119.914 -0.781 0.000 2.680 526 V HA 0.408 4.528 4.120 0.001 0.000 0.309 526 V C -0.984 174.654 176.094 -0.759 0.000 1.052 526 V CA -0.926 61.055 62.300 -0.531 0.000 0.908 526 V CB 1.935 33.571 31.823 -0.313 0.000 1.001 526 V HN 0.723 nan 8.190 nan 0.000 0.431 527 N N 2.903 121.415 118.700 -0.313 0.000 2.564 527 N HA 0.516 5.256 4.740 0.001 0.000 0.248 527 N C -0.031 175.435 175.510 -0.072 0.000 0.986 527 N CA -0.199 52.761 53.050 -0.149 0.000 0.921 527 N CB 1.756 40.295 38.487 0.087 0.000 1.136 527 N HN 0.785 nan 8.380 nan 0.000 0.509 528 A N 4.645 127.430 122.820 -0.058 0.000 2.574 528 A HA 0.290 4.611 4.320 0.001 0.000 0.283 528 A C 0.437 178.039 177.584 0.030 0.000 1.270 528 A CA -0.407 51.624 52.037 -0.009 0.000 0.945 528 A CB -0.210 18.788 19.000 -0.004 0.000 1.127 528 A HN 0.573 nan 8.150 nan 0.000 0.522 529 I N 1.377 121.960 120.570 0.021 0.000 2.648 529 I HA 0.118 4.288 4.170 0.001 0.000 0.284 529 I C -0.116 176.012 176.117 0.018 0.000 1.153 529 I CA 0.542 61.855 61.300 0.022 0.000 1.426 529 I CB 0.982 38.988 38.000 0.010 0.000 1.381 529 I HN 0.016 nan 8.210 nan 0.000 0.571 530 V N 3.244 123.173 119.914 0.025 0.000 2.680 530 V HA 0.610 4.731 4.120 0.001 0.000 0.309 530 V C 0.686 176.793 176.094 0.022 0.000 1.052 530 V CA -0.726 61.587 62.300 0.022 0.000 0.908 530 V CB 1.363 33.203 31.823 0.029 0.000 1.001 530 V HN 1.024 nan 8.190 nan 0.000 0.431 531 G N 2.517 111.324 108.800 0.013 0.000 2.371 531 G HA2 0.079 4.039 3.960 0.001 0.000 0.299 531 G HA3 0.079 4.039 3.960 0.001 0.000 0.299 531 G C 1.170 176.080 174.900 0.017 0.000 1.014 531 G CA 0.586 45.695 45.100 0.015 0.000 1.097 531 G HN 2.490 nan 8.290 nan 0.000 0.512 532 G N -2.280 106.512 108.800 -0.014 0.000 2.244 532 G HA2 -0.255 3.706 3.960 0.001 0.000 0.274 532 G HA3 -0.255 3.706 3.960 0.001 0.000 0.274 532 G C 1.582 176.474 174.900 -0.013 0.000 1.002 532 G CA 1.083 46.151 45.100 -0.053 0.000 0.740 532 G HN 1.529 nan 8.290 nan 0.000 0.516 533 V N -0.243 119.704 119.914 0.055 0.000 2.277 533 V HA -0.172 3.948 4.120 0.001 0.000 0.253 533 V C 1.758 177.960 176.094 0.180 0.000 1.067 533 V CA 2.281 64.663 62.300 0.137 0.000 1.047 533 V CB -0.164 31.716 31.823 0.095 0.000 0.649 533 V HN 0.560 nan 8.190 nan 0.000 0.447 534 I N 0.829 121.425 120.570 0.043 0.000 2.354 534 I HA 0.313 4.483 4.170 0.001 0.000 0.292 534 I C -2.397 173.578 176.117 -0.237 0.000 0.989 534 I CA -2.115 59.149 61.300 -0.059 0.000 1.188 534 I CB 1.582 39.522 38.000 -0.100 0.000 1.342 534 I HN 0.091 nan 8.210 nan 0.000 0.457 535 P HA 0.044 nan 4.420 nan 0.000 0.268 535 P C 0.189 177.261 177.300 -0.380 0.000 1.205 535 P CA -0.338 62.486 63.100 -0.460 0.000 0.771 535 P CB 0.537 31.884 31.700 -0.587 0.000 0.858 536 K N 3.774 123.992 120.400 -0.303 0.000 2.097 536 K HA -0.201 4.119 4.320 0.001 0.000 0.206 536 K C 1.372 177.808 176.600 -0.274 0.000 1.049 536 K CA 1.367 57.518 56.287 -0.226 0.000 0.933 536 K CB -0.536 31.870 32.500 -0.157 0.000 0.717 536 K HN 0.446 nan 8.250 nan 0.000 0.442 537 E N 0.592 120.545 120.200 -0.411 0.000 2.448 537 E HA -0.219 4.131 4.350 0.001 0.000 0.203 537 E C 0.560 176.906 176.600 -0.424 0.000 1.046 537 E CA 1.083 57.214 56.400 -0.449 0.000 0.871 537 E CB -0.210 29.172 29.700 -0.531 0.000 0.790 537 E HN 0.595 nan 8.360 nan 0.000 0.545 538 Y N -0.047 120.128 120.300 -0.207 0.000 2.442 538 Y HA 0.214 4.764 4.550 0.001 0.000 0.250 538 Y C 2.160 177.925 175.900 -0.226 0.000 1.113 538 Y CA -0.914 57.032 58.100 -0.258 0.000 1.273 538 Y CB 0.174 38.294 38.460 -0.568 0.000 1.138 538 Y HN -0.055 nan 8.280 nan 0.000 0.522 539 I N 1.269 121.800 120.570 -0.066 0.000 2.208 539 I HA -0.183 3.987 4.170 0.001 0.000 0.245 539 I C -0.514 175.597 176.117 -0.009 0.000 1.097 539 I CA 1.354 62.641 61.300 -0.023 0.000 1.363 539 I CB -2.268 35.728 38.000 -0.007 0.000 1.051 539 I HN 0.095 nan 8.210 nan 0.000 0.413 540 P HA -0.099 nan 4.420 nan 0.000 0.215 540 P C 1.777 179.070 177.300 -0.012 0.000 1.153 540 P CA 1.960 65.044 63.100 -0.027 0.000 0.853 540 P CB -0.026 31.663 31.700 -0.019 0.000 0.788 541 A N -0.195 122.649 122.820 0.040 0.000 1.908 541 A HA -0.203 4.118 4.320 0.001 0.000 0.218 541 A C 2.388 180.004 177.584 0.053 0.000 1.181 541 A CA 2.374 54.449 52.037 0.063 0.000 0.627 541 A CB -1.856 17.226 19.000 0.136 0.000 0.818 541 A HN 0.216 nan 8.150 nan 0.000 0.445 542 V N -0.610 119.348 119.914 0.073 0.000 2.453 542 V HA -0.248 3.873 4.120 0.001 0.000 0.247 542 V C 2.128 178.222 176.094 0.001 0.000 1.048 542 V CA 2.405 64.760 62.300 0.092 0.000 1.049 542 V CB -0.816 31.115 31.823 0.180 0.000 0.672 542 V HN 0.674 nan 8.190 nan 0.000 0.457 543 Q N 0.221 119.956 119.800 -0.108 0.000 2.061 543 Q HA -0.274 4.066 4.340 0.001 0.000 0.204 543 Q C 2.407 178.306 176.000 -0.169 0.000 0.984 543 Q CA 2.335 57.965 55.803 -0.289 0.000 0.846 543 Q CB -0.342 28.151 28.738 -0.408 0.000 0.902 543 Q HN 0.670 nan 8.270 nan 0.000 0.421 544 K N 0.037 120.376 120.400 -0.103 0.000 2.097 544 K HA -0.150 4.171 4.320 0.001 0.000 0.206 544 K C 2.063 178.620 176.600 -0.072 0.000 1.049 544 K CA 1.316 57.554 56.287 -0.082 0.000 0.933 544 K CB -0.262 32.206 32.500 -0.053 0.000 0.717 544 K HN 0.300 nan 8.250 nan 0.000 0.442 545 G N 1.189 109.961 108.800 -0.046 0.000 2.402 545 G HA2 -0.208 3.752 3.960 0.001 0.000 0.216 545 G HA3 -0.208 3.752 3.960 0.001 0.000 0.216 545 G C 1.497 176.378 174.900 -0.032 0.000 1.162 545 G CA 0.644 45.722 45.100 -0.036 0.000 0.777 545 G HN 0.217 nan 8.290 nan 0.000 0.539 546 I N 0.627 121.187 120.570 -0.017 0.000 2.151 546 I HA -0.228 3.942 4.170 0.001 0.000 0.243 546 I C 2.729 178.802 176.117 -0.072 0.000 1.080 546 I CA 1.783 63.087 61.300 0.007 0.000 1.339 546 I CB -0.183 37.869 38.000 0.087 0.000 1.039 546 I HN 0.348 nan 8.210 nan 0.000 0.409 547 E N 1.151 121.267 120.200 -0.140 0.000 2.058 547 E HA -0.281 4.070 4.350 0.001 0.000 0.194 547 E C 2.018 178.530 176.600 -0.146 0.000 0.997 547 E CA 1.578 57.851 56.400 -0.211 0.000 0.801 547 E CB -0.075 29.503 29.700 -0.203 0.000 0.746 547 E HN 0.498 nan 8.360 nan 0.000 0.450 548 E N -0.028 120.111 120.200 -0.101 0.000 2.085 548 E HA -0.209 4.141 4.350 0.001 0.000 0.194 548 E C 2.023 178.583 176.600 -0.068 0.000 0.994 548 E CA 1.048 57.401 56.400 -0.079 0.000 0.801 548 E CB -0.153 29.507 29.700 -0.066 0.000 0.743 548 E HN 0.397 nan 8.360 nan 0.000 0.453 549 A N 0.726 123.512 122.820 -0.056 0.000 2.014 549 A HA -0.085 4.236 4.320 0.001 0.000 0.218 549 A C 2.006 179.567 177.584 -0.038 0.000 1.163 549 A CA 0.848 52.862 52.037 -0.037 0.000 0.652 549 A CB -0.314 18.677 19.000 -0.015 0.000 0.808 549 A HN 0.149 nan 8.150 nan 0.000 0.449 550 M N -0.533 119.030 119.600 -0.062 0.000 2.686 550 M HA -0.111 4.370 4.480 0.001 0.000 0.246 550 M C 1.845 178.108 176.300 -0.062 0.000 1.096 550 M CA 0.700 55.960 55.300 -0.066 0.000 1.076 550 M CB -0.136 32.381 32.600 -0.139 0.000 1.504 550 M HN 0.514 nan 8.290 nan 0.000 0.524 551 Q N -0.896 118.866 119.800 -0.064 0.000 2.187 551 Q HA 0.022 4.362 4.340 0.001 0.000 0.199 551 Q C 0.607 176.582 176.000 -0.043 0.000 0.957 551 Q CA 0.579 56.350 55.803 -0.054 0.000 0.857 551 Q CB 0.351 29.052 28.738 -0.063 0.000 0.929 551 Q HN 0.229 nan 8.270 nan 0.000 0.453 552 S N -0.315 115.360 115.700 -0.041 0.000 2.733 552 S HA 0.607 5.077 4.470 0.001 0.000 0.294 552 S C -0.305 174.286 174.600 -0.015 0.000 1.149 552 S CA -0.714 57.459 58.200 -0.045 0.000 1.034 552 S CB 1.213 64.371 63.200 -0.070 0.000 1.015 552 S HN 0.284 nan 8.310 nan 0.000 0.486 553 G N 3.656 112.464 108.800 0.013 0.000 2.641 553 G HA2 0.607 4.568 3.960 0.001 0.000 0.239 553 G HA3 0.607 4.568 3.960 0.001 0.000 0.239 553 G C -1.942 172.973 174.900 0.025 0.000 1.402 553 G CA -0.983 44.135 45.100 0.030 0.000 1.046 553 G HN 0.553 nan 8.290 nan 0.000 0.565 554 P HA 0.160 nan 4.420 nan 0.000 0.229 554 P C 1.669 178.984 177.300 0.026 0.000 1.160 554 P CA 0.108 63.222 63.100 0.024 0.000 0.855 554 P CB 0.489 32.203 31.700 0.024 0.000 0.898 555 L N 0.208 121.452 121.223 0.035 0.000 2.068 555 L HA 0.097 4.438 4.340 0.001 0.000 0.204 555 L C 2.252 179.145 176.870 0.039 0.000 1.076 555 L CA 1.804 56.660 54.840 0.026 0.000 0.753 555 L CB -1.264 40.802 42.059 0.012 0.000 0.910 555 L HN 0.077 nan 8.230 nan 0.000 0.439 556 I N -5.475 115.149 120.570 0.090 0.000 4.620 556 I HA 0.493 4.664 4.170 0.001 0.000 0.347 556 I C 0.987 177.193 176.117 0.148 0.000 1.302 556 I CA 0.426 61.817 61.300 0.151 0.000 1.277 556 I CB 0.770 38.894 38.000 0.207 0.000 1.566 556 I HN 0.193 nan 8.210 nan 0.000 0.547 557 G N 1.531 110.373 108.800 0.069 0.000 2.131 557 G HA2 -0.224 3.736 3.960 0.001 0.000 0.223 557 G HA3 -0.224 3.736 3.960 0.001 0.000 0.223 557 G C -0.260 174.503 174.900 -0.229 0.000 0.990 557 G CA -0.233 44.805 45.100 -0.104 0.000 0.671 557 G HN 0.303 nan 8.290 nan 0.000 0.521 558 F N 0.452 120.422 119.950 0.033 0.000 2.483 558 F HA 0.621 5.149 4.527 0.001 0.000 0.329 558 F C -1.763 174.044 175.800 0.012 0.000 1.064 558 F CA -2.555 55.470 58.000 0.042 0.000 0.986 558 F CB 1.404 40.462 39.000 0.095 0.000 1.218 558 F HN -0.193 nan 8.300 nan 0.000 0.484 559 P HA 0.010 nan 4.420 nan 0.000 0.265 559 P C -0.800 176.535 177.300 0.058 0.000 1.187 559 P CA 0.008 63.151 63.100 0.072 0.000 0.766 559 P CB 0.376 32.104 31.700 0.046 0.000 0.820 560 V N 3.986 123.916 119.914 0.025 0.000 2.498 560 V HA 0.091 4.211 4.120 0.001 0.000 0.279 560 V C 1.523 177.628 176.094 0.018 0.000 1.048 560 V CA 0.235 62.551 62.300 0.027 0.000 0.967 560 V CB 1.113 32.959 31.823 0.038 0.000 0.988 560 V HN 0.518 nan 8.190 nan 0.000 0.473 561 V N 0.462 120.388 119.914 0.021 0.000 2.840 561 V HA 0.380 4.501 4.120 0.001 0.000 0.234 561 V C 0.462 176.606 176.094 0.084 0.000 1.159 561 V CA 0.360 62.675 62.300 0.025 0.000 1.194 561 V CB 0.196 31.990 31.823 -0.048 0.000 0.971 561 V HN 0.675 nan 8.190 nan 0.000 0.494 562 D N 2.868 123.308 120.400 0.067 0.000 2.622 562 D HA 0.541 5.182 4.640 0.001 0.000 0.262 562 D C -0.220 176.130 176.300 0.083 0.000 1.189 562 D CA 0.226 54.271 54.000 0.076 0.000 0.985 562 D CB 0.768 41.597 40.800 0.049 0.000 0.994 562 D HN 0.771 nan 8.370 nan 0.000 0.513 563 I N -2.836 117.811 120.570 0.128 0.000 2.865 563 I HA 0.525 4.695 4.170 0.001 0.000 0.302 563 I C -0.914 175.238 176.117 0.058 0.000 1.140 563 I CA -1.102 60.265 61.300 0.111 0.000 1.021 563 I CB 2.994 41.087 38.000 0.154 0.000 1.233 563 I HN -0.283 nan 8.210 nan 0.000 0.427 564 K N 4.524 124.919 120.400 -0.008 0.000 2.339 564 K HA 0.653 4.974 4.320 0.001 0.000 0.264 564 K C -1.742 174.815 176.600 -0.072 0.000 0.986 564 K CA -0.575 55.645 56.287 -0.111 0.000 0.866 564 K CB 1.896 34.335 32.500 -0.101 0.000 1.103 564 K HN 0.651 nan 8.250 nan 0.000 0.441 565 V N 3.449 123.298 119.914 -0.109 0.000 2.427 565 V HA 0.357 4.477 4.120 0.001 0.000 0.286 565 V C -0.390 175.583 176.094 -0.202 0.000 1.034 565 V CA -0.577 61.723 62.300 0.001 0.000 0.893 565 V CB 1.724 33.716 31.823 0.281 0.000 0.982 565 V HN 0.829 nan 8.190 nan 0.000 0.452 566 T N 5.935 120.402 114.554 -0.145 0.000 2.847 566 T HA 0.452 4.803 4.350 0.001 0.000 0.291 566 T C -0.643 174.006 174.700 -0.085 0.000 0.998 566 T CA -0.296 61.666 62.100 -0.230 0.000 0.967 566 T CB 1.231 70.024 68.868 -0.126 0.000 0.954 566 T HN 0.430 nan 8.240 nan 0.000 0.441 567 L N 5.339 126.427 121.223 -0.224 0.000 2.281 567 L HA 0.435 4.776 4.340 0.001 0.000 0.285 567 L C 0.125 177.018 176.870 0.037 0.000 1.074 567 L CA -0.052 54.777 54.840 -0.019 0.000 0.817 567 L CB 0.042 42.139 42.059 0.064 0.000 1.168 567 L HN 0.790 nan 8.230 nan 0.000 0.434 568 Y N 1.509 121.787 120.300 -0.037 0.000 2.425 568 Y HA 0.564 5.115 4.550 0.001 0.000 0.261 568 Y C -0.155 175.740 175.900 -0.008 0.000 1.084 568 Y CA -0.627 57.454 58.100 -0.033 0.000 1.248 568 Y CB 0.368 38.805 38.460 -0.039 0.000 1.270 568 Y HN 0.515 nan 8.280 nan 0.000 0.524 569 D N -0.651 119.428 120.400 -0.535 0.000 2.692 569 D HA 0.588 5.229 4.640 0.001 0.000 0.303 569 D C -0.374 175.730 176.300 -0.326 0.000 1.278 569 D CA 0.540 54.307 54.000 -0.387 0.000 0.852 569 D CB 1.865 42.360 40.800 -0.509 0.000 1.375 569 D HN 0.494 nan 8.370 nan 0.000 0.453 570 G N -0.443 108.220 108.800 -0.227 0.000 2.344 570 G HA2 0.569 4.530 3.960 0.001 0.000 0.282 570 G HA3 0.569 4.530 3.960 0.001 0.000 0.282 570 G C -1.479 173.468 174.900 0.078 0.000 1.281 570 G CA 0.341 45.292 45.100 -0.248 0.000 0.877 570 G HN 1.270 nan 8.290 nan 0.000 0.494 571 S N -1.727 114.198 115.700 0.374 0.000 2.636 571 S HA 0.846 5.317 4.470 0.001 0.000 0.266 571 S C -1.162 173.908 174.600 0.783 0.000 1.147 571 S CA -0.053 58.471 58.200 0.539 0.000 0.815 571 S CB 1.687 65.204 63.200 0.529 0.000 1.119 571 S HN 2.446 nan 8.310 nan 0.000 0.470 572 Y N -0.863 119.630 120.300 0.322 0.000 2.689 572 Y HA 0.789 5.340 4.550 0.001 0.000 0.333 572 Y C -1.143 174.583 175.900 -0.289 0.000 1.190 572 Y CA -1.071 57.154 58.100 0.208 0.000 1.063 572 Y CB 0.684 39.387 38.460 0.405 0.000 1.294 572 Y HN 1.069 nan 8.280 nan 0.000 0.466 573 H N 1.953 120.797 119.070 -0.377 0.000 2.572 573 H HA 0.265 4.822 4.556 0.001 0.000 0.359 573 H C 0.401 175.728 175.328 -0.003 0.000 1.134 573 H CA -0.146 55.636 56.048 -0.443 0.000 1.187 573 H CB 2.415 31.890 29.762 -0.477 0.000 1.597 573 H HN 0.994 nan 8.280 nan 0.000 0.524 574 E N 3.519 123.552 120.200 -0.277 0.000 2.150 574 E HA -0.116 4.235 4.350 0.001 0.000 0.193 574 E C 1.329 178.055 176.600 0.209 0.000 0.985 574 E CA 1.368 57.800 56.400 0.052 0.000 0.814 574 E CB -0.181 29.460 29.700 -0.099 0.000 0.752 574 E HN 0.304 nan 8.360 nan 0.000 0.466 575 V N 0.429 120.546 119.914 0.337 0.000 3.151 575 V HA 0.022 4.142 4.120 0.001 0.000 0.241 575 V C 1.018 177.281 176.094 0.283 0.000 1.173 575 V CA 0.958 63.440 62.300 0.303 0.000 1.154 575 V CB 0.291 32.242 31.823 0.212 0.000 0.898 575 V HN -0.110 nan 8.190 nan 0.000 0.473 576 D N 1.073 121.655 120.400 0.304 0.000 2.317 576 D HA 0.103 4.743 4.640 0.001 0.000 0.211 576 D C 1.198 177.573 176.300 0.125 0.000 0.966 576 D CA 0.525 54.526 54.000 0.002 0.000 0.876 576 D CB 0.093 40.630 40.800 -0.439 0.000 0.927 576 D HN 0.434 nan 8.370 nan 0.000 0.519 577 S N -0.111 115.739 115.700 0.250 0.000 2.593 577 S HA 0.405 4.876 4.470 0.001 0.000 0.269 577 S C 0.417 175.057 174.600 0.067 0.000 1.334 577 S CA -0.369 57.964 58.200 0.222 0.000 1.015 577 S CB 1.005 64.478 63.200 0.453 0.000 0.912 577 S HN 0.330 nan 8.310 nan 0.000 0.541 578 S N 0.895 116.470 115.700 -0.208 0.000 2.615 578 S HA 0.324 4.795 4.470 0.001 0.000 0.268 578 S C 0.132 174.569 174.600 -0.271 0.000 1.146 578 S CA -0.879 57.218 58.200 -0.172 0.000 0.818 578 S CB 0.581 63.791 63.200 0.017 0.000 1.111 578 S HN 0.580 nan 8.310 nan 0.000 0.465 579 E N 0.339 120.540 120.200 0.002 0.000 2.106 579 E HA -0.123 4.227 4.350 0.001 0.000 0.192 579 E C 1.819 178.438 176.600 0.032 0.000 0.984 579 E CA 1.176 57.633 56.400 0.094 0.000 0.806 579 E CB -0.173 29.626 29.700 0.165 0.000 0.750 579 E HN 0.596 nan 8.360 nan 0.000 0.458 580 M N 1.082 120.673 119.600 -0.015 0.000 2.086 580 M HA -0.152 4.328 4.480 0.001 0.000 0.261 580 M C 2.288 178.475 176.300 -0.190 0.000 1.067 580 M CA 1.816 57.063 55.300 -0.087 0.000 1.116 580 M CB -0.344 32.212 32.600 -0.075 0.000 1.348 580 M HN 0.125 nan 8.290 nan 0.000 0.407 581 A N -0.222 122.507 122.820 -0.153 0.000 1.902 581 A HA -0.174 4.146 4.320 0.001 0.000 0.217 581 A C 1.821 179.262 177.584 -0.239 0.000 1.181 581 A CA 1.512 53.427 52.037 -0.204 0.000 0.623 581 A CB -1.188 17.781 19.000 -0.052 0.000 0.818 581 A HN 0.560 nan 8.150 nan 0.000 0.443 582 F N -0.135 119.750 119.950 -0.109 0.000 2.325 582 F HA -0.015 4.512 4.527 0.001 0.000 0.299 582 F C 2.241 178.008 175.800 -0.055 0.000 1.090 582 F CA 1.505 59.476 58.000 -0.049 0.000 1.392 582 F CB 0.033 39.013 39.000 -0.034 0.000 1.053 582 F HN 0.164 nan 8.300 nan 0.000 0.521 583 K N 0.977 121.408 120.400 0.052 0.000 2.026 583 K HA -0.180 4.140 4.320 0.001 0.000 0.208 583 K C 1.972 178.528 176.600 -0.073 0.000 1.048 583 K CA 1.677 57.956 56.287 -0.013 0.000 0.929 583 K CB -0.301 32.168 32.500 -0.052 0.000 0.713 583 K HN 0.250 nan 8.250 nan 0.000 0.439 584 I N 0.796 121.250 120.570 -0.193 0.000 2.286 584 I HA -0.199 3.972 4.170 0.001 0.000 0.245 584 I C 2.501 178.556 176.117 -0.104 0.000 1.104 584 I CA 0.863 62.019 61.300 -0.239 0.000 1.397 584 I CB -0.388 37.264 38.000 -0.581 0.000 1.072 584 I HN 0.214 nan 8.210 nan 0.000 0.417 585 A N 1.298 124.075 122.820 -0.071 0.000 1.884 585 A HA -0.235 4.085 4.320 0.001 0.000 0.219 585 A C 2.434 180.050 177.584 0.053 0.000 1.197 585 A CA 2.403 54.447 52.037 0.013 0.000 0.637 585 A CB -1.590 17.398 19.000 -0.020 0.000 0.827 585 A HN 0.470 nan 8.150 nan 0.000 0.450 586 G N -1.344 107.499 108.800 0.072 0.000 2.404 586 G HA2 -0.159 3.802 3.960 0.001 0.000 0.215 586 G HA3 -0.159 3.802 3.960 0.001 0.000 0.215 586 G C 1.932 176.869 174.900 0.061 0.000 1.174 586 G CA 1.548 46.704 45.100 0.092 0.000 0.780 586 G HN 0.636 nan 8.290 nan 0.000 0.537 587 S N 0.073 115.786 115.700 0.022 0.000 2.365 587 S HA -0.169 4.301 4.470 0.001 0.000 0.225 587 S C 2.513 177.125 174.600 0.019 0.000 1.039 587 S CA 1.855 60.058 58.200 0.005 0.000 1.033 587 S CB -0.333 62.850 63.200 -0.029 0.000 0.887 587 S HN 0.372 nan 8.310 nan 0.000 0.447 588 M N 0.865 120.478 119.600 0.022 0.000 2.080 588 M HA -0.122 4.359 4.480 0.001 0.000 0.260 588 M C 2.491 178.820 176.300 0.049 0.000 1.068 588 M CA 1.682 57.003 55.300 0.036 0.000 1.109 588 M CB -0.645 31.983 32.600 0.048 0.000 1.342 588 M HN 0.530 nan 8.290 nan 0.000 0.405 589 A N 0.299 123.157 122.820 0.062 0.000 1.851 589 A HA -0.213 4.108 4.320 0.001 0.000 0.216 589 A C 2.060 179.692 177.584 0.079 0.000 1.195 589 A CA 1.861 53.944 52.037 0.076 0.000 0.622 589 A CB -0.944 18.111 19.000 0.091 0.000 0.831 589 A HN 0.433 nan 8.150 nan 0.000 0.444 590 I N -0.827 119.793 120.570 0.084 0.000 2.454 590 I HA -0.181 3.989 4.170 0.001 0.000 0.254 590 I C 2.157 178.312 176.117 0.063 0.000 1.156 590 I CA 1.694 63.046 61.300 0.088 0.000 1.433 590 I CB -0.145 37.911 38.000 0.093 0.000 1.082 590 I HN 0.208 nan 8.210 nan 0.000 0.432 591 K N 0.399 120.827 120.400 0.047 0.000 2.025 591 K HA -0.209 4.112 4.320 0.001 0.000 0.207 591 K C 2.081 178.704 176.600 0.039 0.000 1.049 591 K CA 1.525 57.834 56.287 0.035 0.000 0.933 591 K CB -0.238 32.277 32.500 0.025 0.000 0.714 591 K HN 0.303 nan 8.250 nan 0.000 0.438 592 E N 0.080 120.306 120.200 0.043 0.000 2.077 592 E HA -0.122 4.229 4.350 0.001 0.000 0.193 592 E C 1.654 178.283 176.600 0.048 0.000 0.989 592 E CA 1.546 57.972 56.400 0.043 0.000 0.800 592 E CB -0.318 29.411 29.700 0.047 0.000 0.746 592 E HN 0.287 nan 8.360 nan 0.000 0.452 593 A N 0.079 122.935 122.820 0.060 0.000 1.933 593 A HA -0.136 4.185 4.320 0.001 0.000 0.218 593 A C 2.422 180.039 177.584 0.055 0.000 1.175 593 A CA 1.687 53.762 52.037 0.063 0.000 0.628 593 A CB -0.626 18.422 19.000 0.080 0.000 0.814 593 A HN 0.220 nan 8.150 nan 0.000 0.444 594 V N -0.104 119.842 119.914 0.053 0.000 2.871 594 V HA -0.217 3.903 4.120 0.001 0.000 0.256 594 V C 2.448 178.564 176.094 0.037 0.000 1.082 594 V CA 1.782 64.110 62.300 0.047 0.000 1.105 594 V CB -0.765 31.086 31.823 0.047 0.000 0.713 594 V HN 0.618 nan 8.190 nan 0.000 0.473 595 Q N -0.293 119.527 119.800 0.034 0.000 2.137 595 Q HA -0.077 4.263 4.340 0.001 0.000 0.198 595 Q C 2.122 178.138 176.000 0.026 0.000 0.960 595 Q CA 0.789 56.609 55.803 0.027 0.000 0.847 595 Q CB -0.080 28.672 28.738 0.024 0.000 0.915 595 Q HN 0.488 nan 8.270 nan 0.000 0.448 596 K N 0.088 120.506 120.400 0.030 0.000 2.305 596 K HA 0.031 4.351 4.320 0.001 0.000 0.199 596 K C 1.572 178.188 176.600 0.027 0.000 1.047 596 K CA 0.670 56.974 56.287 0.028 0.000 0.976 596 K CB 0.104 32.623 32.500 0.032 0.000 0.765 596 K HN 0.156 nan 8.250 nan 0.000 0.474 597 G N 1.923 110.741 108.800 0.030 0.000 3.295 597 G HA2 -0.077 3.884 3.960 0.001 0.000 0.231 597 G HA3 -0.077 3.884 3.960 0.001 0.000 0.231 597 G C -0.605 174.309 174.900 0.024 0.000 1.277 597 G CA -0.274 44.843 45.100 0.029 0.000 1.013 597 G HN 0.155 nan 8.290 nan 0.000 0.509 598 D N 0.227 120.639 120.400 0.020 0.000 2.803 598 D HA -0.114 4.527 4.640 0.001 0.000 0.233 598 D C -2.034 174.276 176.300 0.017 0.000 1.182 598 D CA 0.687 54.697 54.000 0.017 0.000 0.726 598 D CB -0.202 40.607 40.800 0.014 0.000 0.987 598 D HN 0.338 nan 8.370 nan 0.000 0.412 599 P HA 0.297 nan 4.420 nan 0.000 0.277 599 P C -0.188 177.121 177.300 0.014 0.000 1.240 599 P CA -0.465 62.647 63.100 0.020 0.000 0.798 599 P CB 1.645 33.359 31.700 0.023 0.000 0.979 600 V N 2.673 122.596 119.914 0.015 0.000 3.102 600 V HA 0.494 4.614 4.120 0.001 0.000 0.312 600 V C -0.600 175.498 176.094 0.007 0.000 1.135 600 V CA -1.355 60.951 62.300 0.009 0.000 1.022 600 V CB 2.121 33.952 31.823 0.014 0.000 1.056 600 V HN 0.321 nan 8.190 nan 0.000 0.436 601 I N 4.552 125.118 120.570 -0.007 0.000 2.359 601 I HA 0.409 4.579 4.170 0.001 0.000 0.294 601 I C -0.737 175.400 176.117 0.034 0.000 0.987 601 I CA -0.476 60.814 61.300 -0.017 0.000 1.225 601 I CB 1.495 39.430 38.000 -0.108 0.000 1.366 601 I HN 0.364 nan 8.210 nan 0.000 0.466 602 L N 6.788 128.057 121.223 0.078 0.000 2.287 602 L HA 0.426 4.766 4.340 0.001 0.000 0.287 602 L C 0.102 177.176 176.870 0.341 0.000 1.022 602 L CA -0.576 54.361 54.840 0.162 0.000 0.814 602 L CB 0.985 43.101 42.059 0.095 0.000 1.217 602 L HN 0.638 nan 8.230 nan 0.000 0.420 603 E N 4.814 125.213 120.200 0.332 0.000 2.222 603 E HA 0.542 4.893 4.350 0.001 0.000 0.272 603 E C -2.714 173.959 176.600 0.121 0.000 0.982 603 E CA -2.416 54.174 56.400 0.318 0.000 0.842 603 E CB 1.839 31.712 29.700 0.288 0.000 1.144 603 E HN 0.206 nan 8.360 nan 0.000 0.397 604 P HA 0.159 nan 4.420 nan 0.000 0.282 604 P C -0.423 176.670 177.300 -0.345 0.000 1.262 604 P CA -0.236 62.635 63.100 -0.380 0.000 0.773 604 P CB 0.550 32.104 31.700 -0.244 0.000 0.879 605 I N 4.686 124.906 120.570 -0.583 0.000 2.331 605 I HA 0.280 4.451 4.170 0.001 0.000 0.292 605 I C 0.911 176.779 176.117 -0.414 0.000 0.998 605 I CA -0.634 60.341 61.300 -0.542 0.000 1.267 605 I CB 0.630 38.108 38.000 -0.870 0.000 1.386 605 I HN 0.224 nan 8.210 nan 0.000 0.476 606 M N 5.729 125.226 119.600 -0.171 0.000 2.274 606 M HA 0.356 4.837 4.480 0.001 0.000 0.344 606 M C 0.211 176.606 176.300 0.157 0.000 1.161 606 M CA -0.487 54.794 55.300 -0.032 0.000 1.126 606 M CB 0.564 33.143 32.600 -0.035 0.000 1.522 606 M HN 0.441 nan 8.290 nan 0.000 0.461 607 R N 1.285 121.914 120.500 0.215 0.000 2.221 607 R HA 0.579 4.920 4.340 0.001 0.000 0.327 607 R C -1.555 174.860 176.300 0.192 0.000 1.033 607 R CA -0.273 55.961 56.100 0.223 0.000 0.887 607 R CB 0.589 31.032 30.300 0.238 0.000 1.057 607 R HN 0.561 nan 8.270 nan 0.000 0.455 608 V N 4.204 124.175 119.914 0.095 0.000 2.540 608 V HA 0.326 4.446 4.120 0.001 0.000 0.302 608 V C -0.561 175.603 176.094 0.116 0.000 1.035 608 V CA -0.815 61.552 62.300 0.111 0.000 0.873 608 V CB 1.888 33.716 31.823 0.009 0.000 0.992 608 V HN 0.808 nan 8.190 nan 0.000 0.428 609 E N 3.069 123.385 120.200 0.193 0.000 2.155 609 E HA 0.569 4.919 4.350 0.001 0.000 0.264 609 E C -1.416 175.320 176.600 0.226 0.000 0.886 609 E CA -0.526 55.977 56.400 0.171 0.000 0.752 609 E CB 2.442 32.245 29.700 0.171 0.000 1.133 609 E HN 0.458 nan 8.360 nan 0.000 0.414 610 V N 2.821 122.851 119.914 0.193 0.000 2.384 610 V HA 0.285 4.406 4.120 0.001 0.000 0.287 610 V C 0.175 176.366 176.094 0.163 0.000 1.020 610 V CA -0.786 61.653 62.300 0.231 0.000 0.850 610 V CB 1.486 33.452 31.823 0.237 0.000 0.987 610 V HN 0.748 nan 8.190 nan 0.000 0.436 611 T N 0.738 115.389 114.554 0.162 0.000 2.749 611 T HA 0.631 4.982 4.350 0.001 0.000 0.287 611 T C -0.257 174.520 174.700 0.129 0.000 0.970 611 T CA -0.535 61.640 62.100 0.125 0.000 0.980 611 T CB 1.381 70.312 68.868 0.106 0.000 0.924 611 T HN 0.676 nan 8.240 nan 0.000 0.456 612 T N 3.749 118.378 114.554 0.124 0.000 2.933 612 T HA 0.564 4.915 4.350 0.001 0.000 0.305 612 T C -2.983 171.809 174.700 0.153 0.000 1.092 612 T CA -1.746 60.442 62.100 0.146 0.000 1.008 612 T CB 1.393 70.353 68.868 0.153 0.000 1.102 612 T HN 0.359 nan 8.240 nan 0.000 0.469 613 P HA 0.167 nan 4.420 nan 0.000 0.266 613 P C 0.412 177.775 177.300 0.105 0.000 1.193 613 P CA 0.205 63.403 63.100 0.162 0.000 0.770 613 P CB 0.450 32.295 31.700 0.242 0.000 0.836 614 E N 1.657 121.871 120.200 0.023 0.000 2.204 614 E HA -0.231 4.119 4.350 0.001 0.000 0.195 614 E C 1.626 178.181 176.600 -0.075 0.000 0.990 614 E CA 1.057 57.452 56.400 -0.009 0.000 0.821 614 E CB -0.024 29.667 29.700 -0.015 0.000 0.750 614 E HN 0.637 nan 8.360 nan 0.000 0.477 615 E N 0.147 120.222 120.200 -0.208 0.000 2.153 615 E HA -0.213 4.137 4.350 0.001 0.000 0.194 615 E C 1.138 177.509 176.600 -0.381 0.000 0.988 615 E CA 1.112 57.295 56.400 -0.361 0.000 0.811 615 E CB -0.366 29.003 29.700 -0.552 0.000 0.746 615 E HN 0.506 nan 8.360 nan 0.000 0.466 616 Y N 0.202 120.514 120.300 0.019 0.000 2.466 616 Y HA 0.213 4.764 4.550 0.001 0.000 0.272 616 Y C 2.312 178.227 175.900 0.025 0.000 1.169 616 Y CA -0.102 58.010 58.100 0.021 0.000 1.285 616 Y CB -0.020 38.453 38.460 0.023 0.000 1.078 616 Y HN -0.002 nan 8.280 nan 0.000 0.523 617 M N 0.190 119.855 119.600 0.108 0.000 2.267 617 M HA -0.163 4.318 4.480 0.001 0.000 0.263 617 M C 2.030 178.370 176.300 0.066 0.000 1.063 617 M CA 1.936 57.286 55.300 0.083 0.000 1.090 617 M CB -0.271 32.357 32.600 0.047 0.000 1.392 617 M HN 0.493 nan 8.290 nan 0.000 0.422 618 G N -0.743 108.089 108.800 0.054 0.000 2.453 618 G HA2 -0.186 3.774 3.960 0.001 0.000 0.215 618 G HA3 -0.186 3.774 3.960 0.001 0.000 0.215 618 G C 1.241 176.176 174.900 0.058 0.000 1.147 618 G CA 0.544 45.671 45.100 0.044 0.000 0.802 618 G HN 0.462 nan 8.290 nan 0.000 0.535 619 D N 0.189 120.639 120.400 0.083 0.000 2.162 619 D HA -0.076 4.565 4.640 0.001 0.000 0.203 619 D C 2.593 178.943 176.300 0.084 0.000 0.967 619 D CA 0.887 54.939 54.000 0.087 0.000 0.840 619 D CB 0.193 41.065 40.800 0.120 0.000 0.972 619 D HN 0.140 nan 8.370 nan 0.000 0.482 620 V N 0.994 120.967 119.914 0.099 0.000 2.358 620 V HA -0.174 3.947 4.120 0.001 0.000 0.246 620 V C 2.449 178.591 176.094 0.081 0.000 1.047 620 V CA 1.069 63.428 62.300 0.098 0.000 1.035 620 V CB -0.331 31.561 31.823 0.114 0.000 0.658 620 V HN 0.157 nan 8.190 nan 0.000 0.452 621 I N 0.790 121.398 120.570 0.065 0.000 2.208 621 I HA -0.156 4.014 4.170 0.001 0.000 0.245 621 I C 2.659 178.798 176.117 0.036 0.000 1.097 621 I CA 1.633 62.959 61.300 0.044 0.000 1.363 621 I CB -1.202 36.819 38.000 0.035 0.000 1.051 621 I HN 0.470 nan 8.210 nan 0.000 0.413 622 G N 0.563 109.386 108.800 0.040 0.000 2.476 622 G HA2 -0.379 3.582 3.960 0.001 0.000 0.218 622 G HA3 -0.379 3.582 3.960 0.001 0.000 0.218 622 G C 1.270 176.190 174.900 0.033 0.000 1.164 622 G CA 1.567 46.687 45.100 0.034 0.000 0.768 622 G HN 0.375 nan 8.290 nan 0.000 0.560 623 D N -0.116 120.311 120.400 0.045 0.000 2.117 623 D HA -0.021 4.619 4.640 0.001 0.000 0.198 623 D C 2.617 178.934 176.300 0.027 0.000 0.982 623 D CA 0.536 54.566 54.000 0.050 0.000 0.828 623 D CB -0.196 40.655 40.800 0.085 0.000 0.967 623 D HN 0.307 nan 8.370 nan 0.000 0.464 624 L N 0.043 121.277 121.223 0.019 0.000 2.046 624 L HA -0.149 4.192 4.340 0.001 0.000 0.208 624 L C 2.034 178.885 176.870 -0.031 0.000 1.077 624 L CA 1.264 56.083 54.840 -0.036 0.000 0.747 624 L CB -0.452 41.589 42.059 -0.031 0.000 0.896 624 L HN 0.126 nan 8.230 nan 0.000 0.432 625 N N -0.437 118.260 118.700 -0.006 0.000 2.309 625 N HA -0.111 4.630 4.740 0.001 0.000 0.182 625 N C 1.732 177.241 175.510 -0.001 0.000 1.018 625 N CA 0.838 53.887 53.050 -0.001 0.000 0.876 625 N CB -0.098 38.394 38.487 0.008 0.000 0.972 625 N HN 0.297 nan 8.380 nan 0.000 0.434 626 A N 0.749 123.570 122.820 0.001 0.000 2.168 626 A HA 0.021 4.341 4.320 0.001 0.000 0.215 626 A C 1.563 179.143 177.584 -0.007 0.000 1.152 626 A CA 0.727 52.766 52.037 0.003 0.000 0.716 626 A CB 0.027 19.034 19.000 0.012 0.000 0.794 626 A HN 0.204 nan 8.150 nan 0.000 0.465 627 R N -0.771 119.713 120.500 -0.027 0.000 2.515 627 R HA 0.243 4.583 4.340 0.001 0.000 0.294 627 R C -0.229 176.043 176.300 -0.047 0.000 1.021 627 R CA -0.284 55.785 56.100 -0.050 0.000 1.081 627 R CB 0.041 30.274 30.300 -0.111 0.000 1.263 627 R HN 0.422 nan 8.270 nan 0.000 0.557 628 R N -0.544 119.942 120.500 -0.023 0.000 3.641 628 R HA -0.143 4.197 4.340 0.001 0.000 0.286 628 R C 0.261 176.555 176.300 -0.010 0.000 1.153 628 R CA 0.605 56.698 56.100 -0.012 0.000 0.775 628 R CB -1.933 28.361 30.300 -0.011 0.000 1.215 628 R HN 0.406 nan 8.270 nan 0.000 0.474 629 G N 0.227 109.018 108.800 -0.015 0.000 2.477 629 G HA2 0.345 4.306 3.960 0.001 0.000 0.304 629 G HA3 0.345 4.306 3.960 0.001 0.000 0.304 629 G C -0.691 174.228 174.900 0.031 0.000 1.175 629 G CA -0.403 44.697 45.100 -0.000 0.000 0.907 629 G HN 0.110 nan 8.290 nan 0.000 0.509 630 Q N 0.418 120.261 119.800 0.071 0.000 2.333 630 Q HA 0.324 4.664 4.340 0.001 0.000 0.268 630 Q C -1.006 175.012 176.000 0.031 0.000 1.007 630 Q CA -0.793 55.053 55.803 0.073 0.000 0.810 630 Q CB 1.629 30.452 28.738 0.142 0.000 1.264 630 Q HN 0.341 nan 8.270 nan 0.000 0.452 631 I N 5.128 125.702 120.570 0.007 0.000 2.421 631 I HA -0.064 4.107 4.170 0.001 0.000 0.291 631 I C 0.961 177.057 176.117 -0.035 0.000 1.089 631 I CA 0.588 61.877 61.300 -0.018 0.000 1.354 631 I CB 0.627 38.623 38.000 -0.006 0.000 1.413 631 I HN 0.747 nan 8.210 nan 0.000 0.513 632 L N 5.390 126.561 121.223 -0.086 0.000 2.102 632 L HA 0.304 4.644 4.340 0.001 0.000 0.202 632 L C 1.219 178.044 176.870 -0.074 0.000 1.076 632 L CA 0.585 55.358 54.840 -0.112 0.000 0.761 632 L CB -0.412 41.497 42.059 -0.249 0.000 0.921 632 L HN 0.766 nan 8.230 nan 0.000 0.444 633 G N -1.398 107.364 108.800 -0.064 0.000 2.606 633 G HA2 0.522 4.483 3.960 0.001 0.000 0.300 633 G HA3 0.522 4.483 3.960 0.001 0.000 0.300 633 G C -1.622 173.264 174.900 -0.023 0.000 1.360 633 G CA -0.449 44.628 45.100 -0.039 0.000 0.783 633 G HN -0.158 nan 8.290 nan 0.000 0.484 634 M N 1.717 121.309 119.600 -0.012 0.000 2.284 634 M HA 0.294 4.775 4.480 0.001 0.000 0.229 634 M C -1.579 174.722 176.300 0.002 0.000 0.984 634 M CA -0.590 54.710 55.300 0.001 0.000 1.016 634 M CB 1.546 34.150 32.600 0.008 0.000 2.379 634 M HN 0.660 nan 8.290 nan 0.000 0.459 635 E N 5.975 126.177 120.200 0.004 0.000 2.199 635 E HA 0.663 5.014 4.350 0.001 0.000 0.269 635 E C -3.106 173.501 176.600 0.011 0.000 0.899 635 E CA -1.865 54.537 56.400 0.004 0.000 0.772 635 E CB 1.917 31.615 29.700 -0.004 0.000 1.155 635 E HN 0.305 nan 8.360 nan 0.000 0.408 636 P HA 0.228 nan 4.420 nan 0.000 0.274 636 P C -0.566 176.746 177.300 0.020 0.000 1.231 636 P CA -0.470 62.643 63.100 0.021 0.000 0.790 636 P CB 0.792 32.504 31.700 0.021 0.000 0.951 637 R N 1.482 122.000 120.500 0.030 0.000 2.680 637 R HA 0.467 4.808 4.340 0.001 0.000 0.278 637 R C 0.518 176.850 176.300 0.054 0.000 1.582 637 R CA -0.080 56.037 56.100 0.028 0.000 1.177 637 R CB 1.049 31.357 30.300 0.014 0.000 1.232 637 R HN 0.947 nan 8.270 nan 0.000 0.528 638 G N 2.969 111.804 108.800 0.059 0.000 2.552 638 G HA2 -0.402 3.559 3.960 0.001 0.000 0.265 638 G HA3 -0.402 3.559 3.960 0.001 0.000 0.265 638 G C 0.223 175.166 174.900 0.071 0.000 1.234 638 G CA 0.370 45.521 45.100 0.086 0.000 0.944 638 G HN 0.711 nan 8.290 nan 0.000 0.568 639 N N 1.375 120.121 118.700 0.077 0.000 2.413 639 N HA 0.533 5.273 4.740 0.001 0.000 0.207 639 N C 0.414 175.959 175.510 0.059 0.000 1.206 639 N CA 1.293 54.375 53.050 0.054 0.000 0.832 639 N CB 0.028 38.538 38.487 0.038 0.000 1.037 639 N HN 1.338 nan 8.380 nan 0.000 0.467 640 A N -0.302 122.560 122.820 0.071 0.000 2.322 640 A HA 0.666 4.986 4.320 0.001 0.000 0.327 640 A C -0.472 177.149 177.584 0.062 0.000 1.134 640 A CA -0.699 51.384 52.037 0.076 0.000 0.831 640 A CB 1.306 20.362 19.000 0.094 0.000 1.288 640 A HN 0.192 nan 8.150 nan 0.000 0.472 641 Q N 0.297 120.137 119.800 0.067 0.000 2.353 641 Q HA 0.487 4.827 4.340 0.001 0.000 0.268 641 Q C -1.379 174.658 176.000 0.063 0.000 1.045 641 Q CA -0.624 55.213 55.803 0.055 0.000 0.811 641 Q CB 2.179 30.947 28.738 0.049 0.000 1.305 641 Q HN 0.438 nan 8.270 nan 0.000 0.447 642 V N 4.148 124.092 119.914 0.050 0.000 2.333 642 V HA 0.393 4.513 4.120 0.001 0.000 0.274 642 V C 0.142 176.263 176.094 0.044 0.000 1.028 642 V CA -0.450 61.883 62.300 0.054 0.000 0.851 642 V CB 0.784 32.631 31.823 0.040 0.000 1.000 642 V HN 0.600 nan 8.190 nan 0.000 0.456 643 I N 5.806 126.410 120.570 0.056 0.000 2.297 643 I HA 0.415 4.585 4.170 0.001 0.000 0.291 643 I C 0.538 176.670 176.117 0.026 0.000 1.033 643 I CA -0.291 61.031 61.300 0.037 0.000 1.253 643 I CB 0.771 38.800 38.000 0.048 0.000 1.396 643 I HN 0.511 nan 8.210 nan 0.000 0.476 644 R N 4.948 125.441 120.500 -0.011 0.000 2.410 644 R HA 0.806 5.147 4.340 0.001 0.000 0.288 644 R C -0.479 175.762 176.300 -0.099 0.000 1.051 644 R CA -0.300 55.770 56.100 -0.049 0.000 1.021 644 R CB 1.415 31.663 30.300 -0.087 0.000 1.032 644 R HN 0.750 nan 8.270 nan 0.000 0.481 645 A N 2.339 125.081 122.820 -0.130 0.000 2.604 645 A HA 0.580 4.900 4.320 0.001 0.000 0.295 645 A C -1.590 175.888 177.584 -0.177 0.000 1.067 645 A CA -0.760 51.186 52.037 -0.151 0.000 0.683 645 A CB 0.860 19.820 19.000 -0.068 0.000 1.281 645 A HN 0.467 nan 8.150 nan 0.000 0.407 646 F N 0.500 120.440 119.950 -0.018 0.000 2.384 646 F HA 0.628 5.155 4.527 0.001 0.000 0.338 646 F C 0.512 176.268 175.800 -0.074 0.000 1.103 646 F CA -0.396 57.586 58.000 -0.031 0.000 1.157 646 F CB 1.822 40.828 39.000 0.009 0.000 1.167 646 F HN 0.465 nan 8.300 nan 0.000 0.529 647 V N 4.991 124.969 119.914 0.107 0.000 2.924 647 V HA 0.486 4.607 4.120 0.001 0.000 0.300 647 V C -2.679 173.356 176.094 -0.099 0.000 1.227 647 V CA -2.399 59.877 62.300 -0.040 0.000 0.954 647 V CB 2.613 34.350 31.823 -0.143 0.000 1.055 647 V HN 0.429 nan 8.190 nan 0.000 0.429 648 P HA 0.096 nan 4.420 nan 0.000 0.265 648 P C 0.857 178.038 177.300 -0.197 0.000 1.193 648 P CA 0.112 63.127 63.100 -0.142 0.000 0.765 648 P CB 0.546 32.195 31.700 -0.086 0.000 0.823 649 L N 3.266 124.351 121.223 -0.229 0.000 2.191 649 L HA -0.207 4.134 4.340 0.001 0.000 0.212 649 L C 1.824 178.397 176.870 -0.494 0.000 1.103 649 L CA 2.148 56.787 54.840 -0.336 0.000 0.769 649 L CB -0.959 40.925 42.059 -0.291 0.000 0.908 649 L HN 0.390 nan 8.230 nan 0.000 0.438 650 A N -0.600 122.061 122.820 -0.266 0.000 2.070 650 A HA -0.148 4.173 4.320 0.001 0.000 0.220 650 A C 1.778 179.319 177.584 -0.071 0.000 1.159 650 A CA 1.163 53.147 52.037 -0.088 0.000 0.656 650 A CB -0.208 18.869 19.000 0.129 0.000 0.800 650 A HN 0.546 nan 8.150 nan 0.000 0.453 651 E N -1.081 119.026 120.200 -0.156 0.000 2.481 651 E HA 0.138 4.488 4.350 0.001 0.000 0.198 651 E C 0.739 177.221 176.600 -0.197 0.000 1.027 651 E CA -0.026 56.306 56.400 -0.113 0.000 0.900 651 E CB 0.200 29.837 29.700 -0.105 0.000 0.993 651 E HN 0.485 nan 8.360 nan 0.000 0.482 652 M N -0.002 119.395 119.600 -0.338 0.000 2.371 652 M HA 0.171 4.652 4.480 0.001 0.000 0.246 652 M C -0.040 176.149 176.300 -0.184 0.000 1.103 652 M CA -0.070 55.025 55.300 -0.341 0.000 1.010 652 M CB -0.262 32.110 32.600 -0.380 0.000 1.457 652 M HN -0.102 nan 8.290 nan 0.000 0.486 653 F N 1.692 121.635 119.950 -0.011 0.000 2.571 653 F HA 0.345 4.873 4.527 0.001 0.000 0.384 653 F C 1.728 177.547 175.800 0.032 0.000 1.058 653 F CA 0.737 58.747 58.000 0.017 0.000 1.200 653 F CB -0.494 38.513 39.000 0.012 0.000 1.077 653 F HN 0.536 nan 8.300 nan 0.000 0.558 654 G N 2.894 111.839 108.800 0.241 0.000 2.198 654 G HA2 -0.407 3.553 3.960 0.001 0.000 0.260 654 G HA3 -0.407 3.553 3.960 0.001 0.000 0.260 654 G C 0.801 175.760 174.900 0.098 0.000 1.025 654 G CA 0.484 45.666 45.100 0.137 0.000 0.769 654 G HN 0.767 nan 8.290 nan 0.000 0.507 655 Y N 0.527 120.782 120.300 -0.075 0.000 2.293 655 Y HA 0.167 4.717 4.550 0.001 0.000 0.291 655 Y C 2.655 178.451 175.900 -0.172 0.000 1.137 655 Y CA 1.760 59.730 58.100 -0.217 0.000 1.202 655 Y CB -0.508 37.649 38.460 -0.506 0.000 0.990 655 Y HN 0.494 nan 8.280 nan 0.000 0.537 656 A N -0.675 122.081 122.820 -0.106 0.000 1.986 656 A HA -0.232 4.088 4.320 0.001 0.000 0.220 656 A C 2.185 179.658 177.584 -0.186 0.000 1.171 656 A CA 2.479 54.468 52.037 -0.080 0.000 0.640 656 A CB -1.204 17.794 19.000 -0.004 0.000 0.811 656 A HN 0.517 nan 8.150 nan 0.000 0.451 657 T N -0.264 114.209 114.554 -0.135 0.000 2.937 657 T HA -0.051 4.300 4.350 0.001 0.000 0.260 657 T C 1.315 175.937 174.700 -0.129 0.000 1.051 657 T CA 1.187 63.225 62.100 -0.103 0.000 1.141 657 T CB -0.305 68.535 68.868 -0.047 0.000 0.879 657 T HN 0.469 nan 8.240 nan 0.000 0.459 658 D N 1.328 121.633 120.400 -0.159 0.000 2.123 658 D HA 0.035 4.675 4.640 0.001 0.000 0.200 658 D C 2.071 178.245 176.300 -0.209 0.000 0.976 658 D CA 0.331 54.252 54.000 -0.131 0.000 0.831 658 D CB -0.481 40.294 40.800 -0.043 0.000 0.974 658 D HN 0.192 nan 8.370 nan 0.000 0.469 659 L N 0.578 121.544 121.223 -0.428 0.000 2.012 659 L HA -0.151 4.189 4.340 0.001 0.000 0.210 659 L C 2.302 179.028 176.870 -0.241 0.000 1.073 659 L CA 1.409 55.998 54.840 -0.420 0.000 0.748 659 L CB -0.039 41.602 42.059 -0.696 0.000 0.891 659 L HN -0.027 nan 8.230 nan 0.000 0.431 660 R N -1.087 119.292 120.500 -0.202 0.000 2.189 660 R HA -0.081 4.260 4.340 0.001 0.000 0.223 660 R C 2.152 178.368 176.300 -0.140 0.000 1.092 660 R CA 1.301 57.317 56.100 -0.141 0.000 0.989 660 R CB 0.007 30.254 30.300 -0.088 0.000 0.876 660 R HN 0.333 nan 8.270 nan 0.000 0.457 661 S N 0.220 115.844 115.700 -0.126 0.000 2.496 661 S HA 0.039 4.509 4.470 0.001 0.000 0.224 661 S C 1.119 175.654 174.600 -0.108 0.000 0.996 661 S CA 0.704 58.846 58.200 -0.096 0.000 0.927 661 S CB 0.280 63.443 63.200 -0.063 0.000 0.774 661 S HN 0.234 nan 8.310 nan 0.000 0.524 662 K N 0.351 120.669 120.400 -0.137 0.000 2.399 662 K HA 0.247 4.568 4.320 0.001 0.000 0.204 662 K C 0.596 177.040 176.600 -0.260 0.000 1.023 662 K CA 0.232 56.452 56.287 -0.110 0.000 1.127 662 K CB 0.567 33.040 32.500 -0.044 0.000 0.856 662 K HN 0.018 nan 8.250 nan 0.000 0.514 663 T N -0.454 113.793 114.554 -0.512 0.000 3.252 663 T HA -0.005 4.345 4.350 0.001 0.000 0.295 663 T C -0.427 173.632 174.700 -1.068 0.000 0.897 663 T CA -0.119 61.369 62.100 -1.021 0.000 0.905 663 T CB 0.294 68.916 68.868 -0.411 0.000 1.202 663 T HN 0.081 nan 8.240 nan 0.000 0.592 664 Q N -0.108 119.341 119.800 -0.585 0.000 2.480 664 Q HA -0.240 4.101 4.340 0.001 0.000 0.265 664 Q C 1.009 176.925 176.000 -0.140 0.000 1.072 664 Q CA 1.235 56.885 55.803 -0.255 0.000 1.018 664 Q CB -1.996 26.671 28.738 -0.118 0.000 1.433 664 Q HN 0.961 nan 8.270 nan 0.000 0.513 665 G N -0.634 108.081 108.800 -0.142 0.000 2.176 665 G HA2 -0.367 3.594 3.960 0.001 0.000 0.253 665 G HA3 -0.367 3.594 3.960 0.001 0.000 0.253 665 G C 0.740 175.643 174.900 0.006 0.000 0.979 665 G CA 0.559 45.634 45.100 -0.041 0.000 0.641 665 G HN 0.445 nan 8.290 nan 0.000 0.530 666 R N 0.414 120.899 120.500 -0.025 0.000 2.280 666 R HA 0.362 4.703 4.340 0.001 0.000 0.195 666 R C 1.574 177.916 176.300 0.071 0.000 0.935 666 R CA 0.510 56.639 56.100 0.047 0.000 1.033 666 R CB 0.443 30.788 30.300 0.075 0.000 0.964 666 R HN 0.404 nan 8.270 nan 0.000 0.489 667 G N 0.350 109.171 108.800 0.036 0.000 2.412 667 G HA2 0.422 4.383 3.960 0.001 0.000 0.318 667 G HA3 0.422 4.383 3.960 0.001 0.000 0.318 667 G C -0.490 174.488 174.900 0.130 0.000 1.146 667 G CA -0.289 44.858 45.100 0.077 0.000 0.882 667 G HN 0.158 nan 8.290 nan 0.000 0.501 668 S N -0.507 115.309 115.700 0.193 0.000 2.651 668 S HA 0.848 5.318 4.470 0.001 0.000 0.279 668 S C -1.031 173.778 174.600 0.348 0.000 1.148 668 S CA -0.892 57.486 58.200 0.297 0.000 0.837 668 S CB 1.856 65.278 63.200 0.370 0.000 1.138 668 S HN 1.573 nan 8.310 nan 0.000 0.478 669 F N -0.174 119.874 119.950 0.164 0.000 2.613 669 F HA 0.858 5.386 4.527 0.001 0.000 0.310 669 F C -1.161 174.711 175.800 0.119 0.000 1.085 669 F CA -1.172 56.920 58.000 0.153 0.000 0.945 669 F CB 1.193 40.329 39.000 0.225 0.000 1.298 669 F HN 0.692 nan 8.300 nan 0.000 0.455 670 V N 1.503 121.448 119.914 0.052 0.000 2.960 670 V HA 0.796 4.916 4.120 0.001 0.000 0.315 670 V C -0.871 175.192 176.094 -0.052 0.000 1.087 670 V CA -0.948 61.265 62.300 -0.146 0.000 0.982 670 V CB 1.798 33.561 31.823 -0.099 0.000 1.039 670 V HN 1.172 nan 8.190 nan 0.000 0.437 671 M N 2.992 122.350 119.600 -0.403 0.000 2.433 671 M HA 0.803 5.283 4.480 0.001 0.000 0.290 671 M C -2.376 173.526 176.300 -0.663 0.000 1.173 671 M CA -0.260 54.889 55.300 -0.252 0.000 0.905 671 M CB 2.377 34.995 32.600 0.031 0.000 1.692 671 M HN 0.748 nan 8.290 nan 0.000 0.462 672 F N 3.079 123.083 119.950 0.089 0.000 2.588 672 F HA 0.396 4.924 4.527 0.001 0.000 0.314 672 F C -0.862 174.992 175.800 0.090 0.000 1.134 672 F CA -0.686 57.370 58.000 0.093 0.000 0.961 672 F CB 1.344 40.392 39.000 0.080 0.000 1.239 672 F HN 0.447 nan 8.300 nan 0.000 0.448 673 F N 3.945 123.984 119.950 0.148 0.000 2.578 673 F HA 0.088 4.616 4.527 0.001 0.000 0.376 673 F C 0.824 176.673 175.800 0.083 0.000 1.085 673 F CA 0.713 58.732 58.000 0.032 0.000 1.260 673 F CB 0.440 39.416 39.000 -0.039 0.000 1.095 673 F HN 0.679 nan 8.300 nan 0.000 0.573 674 D N 3.158 123.054 120.400 -0.839 0.000 3.105 674 D HA -0.001 4.640 4.640 0.001 0.000 0.291 674 D C -0.347 175.458 176.300 -0.826 0.000 1.218 674 D CA 0.558 54.249 54.000 -0.515 0.000 1.029 674 D CB 0.360 41.166 40.800 0.010 0.000 1.207 674 D HN 0.710 nan 8.370 nan 0.000 0.437 675 H N -2.028 116.362 119.070 -1.133 0.000 3.037 675 H HA 0.235 4.791 4.556 0.001 0.000 0.355 675 H C -1.680 173.366 175.328 -0.471 0.000 1.263 675 H CA -0.713 54.935 56.048 -0.667 0.000 1.129 675 H CB -0.067 29.491 29.762 -0.338 0.000 1.861 675 H HN -0.102 nan 8.280 nan 0.000 0.546 676 Y N 0.931 121.239 120.300 0.013 0.000 2.319 676 Y HA 0.338 4.888 4.550 0.001 0.000 0.328 676 Y C 0.847 176.747 175.900 -0.000 0.000 1.133 676 Y CA 0.424 58.542 58.100 0.030 0.000 1.265 676 Y CB 1.157 39.703 38.460 0.144 0.000 1.218 676 Y HN 0.527 nan 8.280 nan 0.000 0.508 677 Q N 1.850 121.717 119.800 0.112 0.000 2.462 677 Q HA 0.287 4.628 4.340 0.001 0.000 0.285 677 Q C -1.318 174.734 176.000 0.086 0.000 1.035 677 Q CA -1.025 54.827 55.803 0.082 0.000 0.799 677 Q CB 2.146 30.876 28.738 -0.014 0.000 1.452 677 Q HN 0.713 nan 8.270 nan 0.000 0.404 678 E N 0.731 120.971 120.200 0.067 0.000 2.383 678 E HA 0.212 4.562 4.350 0.001 0.000 0.264 678 E C 0.109 176.731 176.600 0.035 0.000 1.050 678 E CA -0.377 56.054 56.400 0.051 0.000 0.896 678 E CB 0.779 30.501 29.700 0.037 0.000 0.982 678 E HN 0.391 nan 8.360 nan 0.000 0.424 679 V N -0.419 119.513 119.914 0.030 0.000 2.775 679 V HA 0.293 4.414 4.120 0.001 0.000 0.299 679 V C -1.976 174.122 176.094 0.008 0.000 1.062 679 V CA -1.826 60.484 62.300 0.016 0.000 1.063 679 V CB 0.282 32.104 31.823 -0.002 0.000 0.994 679 V HN 0.593 nan 8.190 nan 0.000 0.483 680 P HA 0.300 nan 4.420 nan 0.000 0.274 680 P C 0.073 177.373 177.300 0.000 0.000 1.246 680 P CA -0.509 62.594 63.100 0.005 0.000 0.795 680 P CB 0.852 32.556 31.700 0.006 0.000 1.006 681 K N 0.967 121.368 120.400 0.001 0.000 2.052 681 K HA -0.286 4.035 4.320 0.001 0.000 0.215 681 K C 2.172 178.770 176.600 -0.003 0.000 1.053 681 K CA 2.531 58.817 56.287 -0.001 0.000 0.934 681 K CB -1.138 31.363 32.500 0.001 0.000 0.717 681 K HN 0.592 nan 8.250 nan 0.000 0.450 682 Q N 0.534 120.334 119.800 -0.000 0.000 2.062 682 Q HA -0.194 4.146 4.340 0.001 0.000 0.209 682 Q C 2.053 178.051 176.000 -0.003 0.000 0.996 682 Q CA 2.038 57.842 55.803 0.000 0.000 0.859 682 Q CB -0.910 27.830 28.738 0.004 0.000 0.920 682 Q HN 0.115 nan 8.270 nan 0.000 0.415 683 V N 0.952 120.864 119.914 -0.003 0.000 2.407 683 V HA -0.290 3.831 4.120 0.001 0.000 0.248 683 V C 2.498 178.575 176.094 -0.030 0.000 1.055 683 V CA 2.187 64.483 62.300 -0.007 0.000 1.049 683 V CB -0.740 31.085 31.823 0.002 0.000 0.662 683 V HN 0.444 nan 8.190 nan 0.000 0.455 684 Q N 0.053 119.833 119.800 -0.034 0.000 2.016 684 Q HA -0.246 4.095 4.340 0.001 0.000 0.200 684 Q C 2.393 178.370 176.000 -0.039 0.000 0.978 684 Q CA 2.073 57.845 55.803 -0.052 0.000 0.833 684 Q CB -0.238 28.477 28.738 -0.038 0.000 0.895 684 Q HN 0.730 nan 8.270 nan 0.000 0.427 685 E N 0.373 120.560 120.200 -0.021 0.000 2.070 685 E HA -0.263 4.088 4.350 0.001 0.000 0.197 685 E C 1.781 178.373 176.600 -0.013 0.000 1.004 685 E CA 1.448 57.840 56.400 -0.014 0.000 0.805 685 E CB 0.032 29.728 29.700 -0.007 0.000 0.744 685 E HN 0.290 nan 8.360 nan 0.000 0.451 686 K N 0.171 120.564 120.400 -0.012 0.000 2.148 686 K HA -0.022 4.298 4.320 0.001 0.000 0.204 686 K C 1.731 178.325 176.600 -0.011 0.000 1.050 686 K CA 0.462 56.745 56.287 -0.006 0.000 0.942 686 K CB -0.109 32.393 32.500 0.002 0.000 0.724 686 K HN 0.212 nan 8.250 nan 0.000 0.446 687 L N 2.057 123.260 121.223 -0.034 0.000 3.301 687 L HA 0.001 4.341 4.340 0.001 0.000 0.269 687 L C 0.017 176.865 176.870 -0.038 0.000 1.240 687 L CA 0.314 55.119 54.840 -0.058 0.000 1.038 687 L CB -0.500 41.464 42.059 -0.158 0.000 1.406 687 L HN 0.140 nan 8.230 nan 0.000 0.409 688 I N 0.000 120.562 120.570 -0.013 0.000 2.984 688 I HA 0.000 4.171 4.170 0.001 0.000 0.288 688 I CA 0.000 61.299 61.300 -0.002 0.000 1.566 688 I CB 0.000 37.997 38.000 -0.005 0.000 1.214 688 I HN 0.000 nan 8.210 nan 0.000 0.494