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 2ahx_1_B DATA FIRST_RESID 0 DATA SEQUENCE RQSVcAGTEN KLSSLSDLEQ QYRALRKYYE NcEVVMGNLE ITSIEHNRDL DATA SEQUENCE SFLRSVREVT GYVLVALNQF RYLPLENLRI IRGTKLYEDR YALAIFLNYR DATA SEQUENCE KDGNFGLQEL GLKNLTEILN GGVYVDQNKF LcYADTIHWQ DIVRNPWPSN DATA SEQUENCE LTLVSTNGSS GcGRcHKScT GRcWGPTENH cQTLTRTVcA EQcDGRcYGP DATA SEQUENCE YVSDccHREc AGGcSGPKDT DcFAcMNFND SGAcVTQcPQ TFVYNPTTFQ DATA SEQUENCE LEHNFNAKYT YGAFcVKKcP HNFVVDSSSc VRAcPSSKME VEENGIKMcK DATA SEQUENCE PcTDIcPKAc DGIGTGSLMS AQTVDSSNID KFINcTKING NLIFLVTGIH DATA SEQUENCE GDPYNAIEAI DPEKLNVFRT VREITGFLNI QSWPPNMTDF SVFSNLVTIG DATA SEQUENCE GRVLYSGLSL LILKQQGITS LQFQSLKEIS AGNIYITDNS NLcYYHTINW DATA SEQUENCE TTLFSTINQR IVIRDNRKAE NcTAEGMVcN HLcSSDGcWG PGPDQcLScR DATA SEQUENCE RFSRGRIcIE ScNLYDGEFR EFENDSIcVE cDPQcEKMED GLLTcHGPGP DATA SEQUENCE DNcTKcSHFK DGPNcVEKcP DGLQGANSFI FKYADPDREc HPcHPNcTQG DATA SEQUENCE cNGPTSHDcI YYPWT 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 0 R HA 0.000 nan 4.340 nan 0.000 0.208 0 R C 0.000 176.432 176.300 0.220 0.000 0.893 0 R CA 0.000 56.226 56.100 0.210 0.000 0.921 0 R CB 0.000 30.370 30.300 0.117 0.000 0.687 1 Q N -0.552 119.304 119.800 0.093 0.000 2.360 1 Q HA 0.288 4.628 4.340 -0.000 0.000 0.261 1 Q C -0.712 175.259 176.000 -0.049 0.000 0.802 1 Q CA 0.429 56.218 55.803 -0.024 0.000 0.983 1 Q CB 1.644 30.374 28.738 -0.013 0.000 1.211 1 Q HN 0.405 nan 8.270 nan 0.000 0.523 2 S N 0.819 116.527 115.700 0.013 0.000 2.489 2 S HA 0.563 5.033 4.470 -0.000 0.000 0.277 2 S C -0.055 174.575 174.600 0.050 0.000 1.230 2 S CA -0.541 57.671 58.200 0.019 0.000 1.053 2 S CB 1.419 64.636 63.200 0.030 0.000 0.955 2 S HN -0.005 nan 8.310 nan 0.000 0.488 3 V N 2.467 122.410 119.914 0.049 0.000 2.919 3 V HA 0.793 4.912 4.120 -0.000 0.000 0.316 3 V C 0.301 176.448 176.094 0.088 0.000 1.077 3 V CA -0.804 61.548 62.300 0.086 0.000 0.977 3 V CB 1.387 33.270 31.823 0.100 0.000 1.039 3 V HN 1.333 nan 8.190 nan 0.000 0.441 4 c N 0.609 119.269 118.600 0.100 0.000 3.173 4 c HA 0.871 5.441 4.570 -0.000 0.000 0.310 4 c C 1.037 175.181 174.090 0.090 0.000 1.306 4 c CA -0.134 56.245 56.329 0.082 0.000 1.426 4 c CB 1.123 43.669 42.510 0.060 0.000 1.800 4 c HN 1.089 nan 8.230 nan 0.000 0.470 5 A N 1.060 123.926 122.820 0.078 0.000 2.072 5 A HA 0.585 4.905 4.320 -0.000 0.000 0.216 5 A C 1.602 179.213 177.584 0.045 0.000 1.156 5 A CA 1.632 53.717 52.037 0.080 0.000 0.701 5 A CB -1.208 17.850 19.000 0.096 0.000 0.816 5 A HN 3.003 nan 8.150 nan 0.000 0.458 6 G N -1.029 107.762 108.800 -0.016 0.000 2.894 6 G HA2 0.004 3.964 3.960 -0.000 0.000 0.247 6 G HA3 0.004 3.964 3.960 -0.000 0.000 0.247 6 G C 0.163 174.988 174.900 -0.125 0.000 1.442 6 G CA 0.283 45.353 45.100 -0.050 0.000 0.897 6 G HN 1.554 nan 8.290 nan 0.000 0.550 7 T N -3.310 111.181 114.554 -0.104 0.000 2.919 7 T HA 0.778 5.128 4.350 -0.000 0.000 0.282 7 T C 0.290 174.948 174.700 -0.071 0.000 1.020 7 T CA 0.300 62.302 62.100 -0.164 0.000 0.994 7 T CB 2.467 71.184 68.868 -0.252 0.000 1.180 7 T HN 1.031 nan 8.240 nan 0.000 0.566 8 E N -0.527 119.652 120.200 -0.035 0.000 3.918 8 E HA 0.200 4.550 4.350 -0.000 0.000 0.183 8 E C -0.154 176.497 176.600 0.085 0.000 1.021 8 E CA -0.354 56.074 56.400 0.046 0.000 1.431 8 E CB 0.011 29.741 29.700 0.050 0.000 1.140 8 E HN 0.547 nan 8.360 nan 0.000 0.435 9 N N 1.177 119.921 118.700 0.073 0.000 2.280 9 N HA 0.049 4.789 4.740 -0.000 0.000 0.192 9 N C 0.164 175.754 175.510 0.133 0.000 1.109 9 N CA 0.192 53.290 53.050 0.080 0.000 0.855 9 N CB 0.338 38.846 38.487 0.035 0.000 0.974 9 N HN 0.220 nan 8.380 nan 0.000 0.482 10 K N -0.075 120.450 120.400 0.208 0.000 1.779 10 K HA -0.243 4.077 4.320 -0.000 0.000 0.128 10 K C 0.724 177.429 176.600 0.175 0.000 1.288 10 K CA 1.499 57.954 56.287 0.280 0.000 0.398 10 K CB -1.237 31.445 32.500 0.304 0.000 0.609 10 K HN -0.013 nan 8.250 nan 0.000 0.874 11 L N 1.550 122.881 121.223 0.180 0.000 2.591 11 L HA 0.078 4.418 4.340 -0.000 0.000 0.228 11 L C 0.366 177.287 176.870 0.085 0.000 1.133 11 L CA -0.154 54.756 54.840 0.117 0.000 0.880 11 L CB 0.177 42.330 42.059 0.156 0.000 1.033 11 L HN 0.262 nan 8.230 nan 0.000 0.450 12 S N 0.201 115.953 115.700 0.086 0.000 2.552 12 S HA 0.111 4.581 4.470 -0.000 0.000 0.289 12 S C 0.333 174.968 174.600 0.058 0.000 1.304 12 S CA 0.102 58.342 58.200 0.067 0.000 1.063 12 S CB 0.834 64.071 63.200 0.063 0.000 0.848 12 S HN 0.296 nan 8.310 nan 0.000 0.499 13 S N 3.111 118.845 115.700 0.055 0.000 2.571 13 S HA 0.498 4.968 4.470 -0.000 0.000 0.284 13 S C -0.675 173.960 174.600 0.058 0.000 1.128 13 S CA -0.945 57.290 58.200 0.058 0.000 0.970 13 S CB 0.367 63.600 63.200 0.056 0.000 1.039 13 S HN 0.576 nan 8.310 nan 0.000 0.485 14 L N 4.392 125.654 121.223 0.065 0.000 2.410 14 L HA 0.219 4.559 4.340 -0.000 0.000 0.273 14 L C 1.745 178.652 176.870 0.060 0.000 1.152 14 L CA -0.504 54.374 54.840 0.062 0.000 0.855 14 L CB 0.583 42.684 42.059 0.070 0.000 1.129 14 L HN 0.785 nan 8.230 nan 0.000 0.463 15 S N 0.798 116.529 115.700 0.051 0.000 2.422 15 S HA -0.236 4.234 4.470 -0.000 0.000 0.241 15 S C 0.661 175.293 174.600 0.052 0.000 1.076 15 S CA 1.619 59.847 58.200 0.047 0.000 1.066 15 S CB -0.333 62.891 63.200 0.040 0.000 0.890 15 S HN 0.774 nan 8.310 nan 0.000 0.465 16 D N 0.442 120.877 120.400 0.058 0.000 2.359 16 D HA 0.277 4.917 4.640 -0.000 0.000 0.230 16 D C 0.868 177.218 176.300 0.083 0.000 1.118 16 D CA -0.208 53.830 54.000 0.064 0.000 0.844 16 D CB 0.432 41.268 40.800 0.059 0.000 1.059 16 D HN 0.081 nan 8.370 nan 0.000 0.493 17 L N 2.651 123.926 121.223 0.087 0.000 2.447 17 L HA -0.115 4.225 4.340 -0.000 0.000 0.225 17 L C 1.874 178.830 176.870 0.143 0.000 1.148 17 L CA 0.706 55.614 54.840 0.113 0.000 0.808 17 L CB -0.198 41.923 42.059 0.104 0.000 0.928 17 L HN 0.427 nan 8.230 nan 0.000 0.448 18 E N 0.728 121.000 120.200 0.120 0.000 2.046 18 E HA -0.208 4.142 4.350 -0.000 0.000 0.190 18 E C 2.132 178.829 176.600 0.163 0.000 0.982 18 E CA 1.257 57.739 56.400 0.137 0.000 0.800 18 E CB 0.068 29.824 29.700 0.092 0.000 0.756 18 E HN 0.280 nan 8.360 nan 0.000 0.449 19 Q N -0.246 119.624 119.800 0.117 0.000 2.230 19 Q HA -0.083 4.257 4.340 -0.000 0.000 0.202 19 Q C 1.880 177.947 176.000 0.112 0.000 0.963 19 Q CA 1.388 57.249 55.803 0.098 0.000 0.866 19 Q CB -0.112 28.669 28.738 0.072 0.000 0.931 19 Q HN 0.279 nan 8.270 nan 0.000 0.452 20 Q N -0.859 119.022 119.800 0.135 0.000 2.079 20 Q HA -0.203 4.137 4.340 -0.000 0.000 0.200 20 Q C 1.674 177.779 176.000 0.175 0.000 0.974 20 Q CA 1.464 57.353 55.803 0.144 0.000 0.840 20 Q CB -0.380 28.444 28.738 0.143 0.000 0.898 20 Q HN 0.543 nan 8.270 nan 0.000 0.430 21 Y N 0.248 120.612 120.300 0.106 0.000 2.200 21 Y HA -0.104 4.446 4.550 -0.000 0.000 0.290 21 Y C 1.853 177.809 175.900 0.092 0.000 1.137 21 Y CA 1.540 59.713 58.100 0.121 0.000 1.163 21 Y CB 0.010 38.536 38.460 0.110 0.000 0.988 21 Y HN 0.026 nan 8.280 nan 0.000 0.518 22 R N 0.552 121.050 120.500 -0.003 0.000 2.081 22 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 22 R C 2.463 178.677 176.300 -0.143 0.000 1.131 22 R CA 1.226 57.253 56.100 -0.120 0.000 0.960 22 R CB -1.407 28.900 30.300 0.012 0.000 0.856 22 R HN 0.505 nan 8.270 nan 0.000 0.436 23 A N 1.269 124.080 122.820 -0.016 0.000 1.898 23 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 23 A C 2.225 179.900 177.584 0.151 0.000 1.181 23 A CA 1.028 53.115 52.037 0.083 0.000 0.620 23 A CB -0.562 18.554 19.000 0.193 0.000 0.819 23 A HN 0.217 nan 8.150 nan 0.000 0.442 24 L N 0.250 121.533 121.223 0.099 0.000 2.013 24 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 24 L C 2.500 179.444 176.870 0.124 0.000 1.073 24 L CA 2.725 57.688 54.840 0.205 0.000 0.753 24 L CB -0.584 41.590 42.059 0.192 0.000 0.890 24 L HN 0.513 nan 8.230 nan 0.000 0.432 25 R N -0.492 119.804 120.500 -0.340 0.000 2.092 25 R HA -0.200 4.140 4.340 -0.000 0.000 0.231 25 R C 2.449 178.451 176.300 -0.496 0.000 1.119 25 R CA 1.699 57.252 56.100 -0.911 0.000 0.970 25 R CB -0.287 29.294 30.300 -1.197 0.000 0.864 25 R HN 0.446 nan 8.270 nan 0.000 0.440 26 K N -0.527 119.691 120.400 -0.304 0.000 2.057 26 K HA -0.177 4.143 4.320 -0.000 0.000 0.206 26 K C 1.668 178.099 176.600 -0.282 0.000 1.050 26 K CA 1.523 57.642 56.287 -0.281 0.000 0.935 26 K CB -0.177 32.149 32.500 -0.289 0.000 0.715 26 K HN 0.228 nan 8.250 nan 0.000 0.439 27 Y N -0.875 119.270 120.300 -0.258 0.000 2.200 27 Y HA -0.186 4.364 4.550 -0.000 0.000 0.290 27 Y C 1.492 177.100 175.900 -0.488 0.000 1.137 27 Y CA 1.523 59.366 58.100 -0.427 0.000 1.163 27 Y CB 0.103 38.159 38.460 -0.674 0.000 0.988 27 Y HN 0.131 nan 8.280 nan 0.000 0.518 28 Y N -0.364 120.014 120.300 0.131 0.000 2.462 28 Y HA 0.079 4.629 4.550 -0.000 0.000 0.253 28 Y C 0.773 176.735 175.900 0.104 0.000 1.095 28 Y CA -0.583 57.596 58.100 0.131 0.000 1.283 28 Y CB -0.161 38.417 38.460 0.197 0.000 1.138 28 Y HN -0.016 nan 8.280 nan 0.000 0.522 29 E N 1.731 121.994 120.200 0.104 0.000 2.502 29 E HA -0.153 4.197 4.350 -0.000 0.000 0.261 29 E C 0.002 176.643 176.600 0.069 0.000 0.974 29 E CA 0.471 56.902 56.400 0.053 0.000 0.936 29 E CB 0.090 29.671 29.700 -0.198 0.000 0.926 29 E HN 0.317 nan 8.360 nan 0.000 0.459 30 N N 0.233 118.993 118.700 0.101 0.000 2.778 30 N HA -0.205 4.535 4.740 -0.000 0.000 0.249 30 N C -0.652 174.904 175.510 0.076 0.000 1.069 30 N CA 1.219 54.310 53.050 0.069 0.000 0.831 30 N CB -2.021 36.482 38.487 0.028 0.000 1.142 30 N HN 0.616 nan 8.380 nan 0.000 0.573 31 c N 1.104 119.773 118.600 0.115 0.000 2.369 31 c HA 0.285 4.855 4.570 -0.000 0.000 0.358 31 c C 1.704 175.861 174.090 0.112 0.000 1.274 31 c CA -0.323 56.078 56.329 0.119 0.000 1.935 31 c CB 0.281 42.892 42.510 0.170 0.000 2.431 31 c HN 0.301 nan 8.230 nan 0.000 0.545 32 E N 2.477 122.734 120.200 0.096 0.000 2.340 32 E HA 0.129 4.479 4.350 -0.000 0.000 0.198 32 E C -0.360 176.300 176.600 0.100 0.000 0.961 32 E CA 0.529 56.981 56.400 0.086 0.000 0.905 32 E CB 0.605 30.354 29.700 0.083 0.000 0.884 32 E HN 0.538 nan 8.360 nan 0.000 0.491 33 V N 2.473 122.463 119.914 0.127 0.000 2.398 33 V HA 0.155 4.275 4.120 -0.000 0.000 0.282 33 V C -0.365 175.807 176.094 0.130 0.000 1.014 33 V CA -0.675 61.709 62.300 0.140 0.000 0.838 33 V CB 1.760 33.727 31.823 0.241 0.000 1.018 33 V HN -0.095 nan 8.190 nan 0.000 0.432 34 V N 6.329 126.312 119.914 0.115 0.000 2.370 34 V HA 0.224 4.344 4.120 -0.000 0.000 0.257 34 V C 0.719 176.864 176.094 0.085 0.000 1.064 34 V CA 0.141 62.521 62.300 0.134 0.000 0.975 34 V CB 0.704 32.629 31.823 0.170 0.000 1.067 34 V HN 0.835 nan 8.190 nan 0.000 0.485 35 M N 5.515 125.161 119.600 0.078 0.000 3.436 35 M HA 0.460 4.940 4.480 -0.000 0.000 0.240 35 M C 0.862 177.188 176.300 0.043 0.000 1.469 35 M CA 0.328 55.653 55.300 0.042 0.000 1.622 35 M CB -0.089 32.521 32.600 0.016 0.000 1.098 35 M HN 0.911 nan 8.290 nan 0.000 0.568 36 G N 0.848 109.662 108.800 0.023 0.000 2.491 36 G HA2 0.033 3.993 3.960 -0.000 0.000 0.183 36 G HA3 0.033 3.993 3.960 -0.000 0.000 0.183 36 G C -1.531 173.321 174.900 -0.079 0.000 1.221 36 G CA -0.865 44.229 45.100 -0.010 0.000 0.996 36 G HN 0.440 nan 8.290 nan 0.000 0.474 37 N N 0.039 118.646 118.700 -0.155 0.000 2.430 37 N HA 0.592 5.332 4.740 -0.000 0.000 0.298 37 N C -1.256 174.187 175.510 -0.112 0.000 1.130 37 N CA -0.427 52.416 53.050 -0.346 0.000 0.894 37 N CB 2.454 40.446 38.487 -0.824 0.000 1.209 37 N HN 0.512 nan 8.380 nan 0.000 0.503 38 L N 1.149 122.265 121.223 -0.178 0.000 2.301 38 L HA 0.351 4.691 4.340 -0.000 0.000 0.278 38 L C -0.484 176.274 176.870 -0.187 0.000 1.022 38 L CA -0.234 54.455 54.840 -0.252 0.000 0.854 38 L CB 0.139 42.000 42.059 -0.330 0.000 1.226 38 L HN 0.427 nan 8.230 nan 0.000 0.429 39 E N 5.985 126.134 120.200 -0.085 0.000 2.092 39 E HA 0.402 4.752 4.350 -0.000 0.000 0.271 39 E C -0.854 175.737 176.600 -0.015 0.000 0.919 39 E CA -0.150 56.241 56.400 -0.014 0.000 0.760 39 E CB 1.450 31.181 29.700 0.051 0.000 1.106 39 E HN 0.555 nan 8.360 nan 0.000 0.408 40 I N 3.671 124.220 120.570 -0.035 0.000 2.412 40 I HA 0.176 4.346 4.170 -0.000 0.000 0.279 40 I C -0.162 175.979 176.117 0.040 0.000 1.063 40 I CA -0.361 60.952 61.300 0.023 0.000 1.193 40 I CB 0.875 38.886 38.000 0.019 0.000 1.370 40 I HN 0.373 nan 8.210 nan 0.000 0.479 41 T N -0.194 114.394 114.554 0.056 0.000 2.893 41 T HA 0.438 4.788 4.350 -0.000 0.000 0.291 41 T C 0.404 175.146 174.700 0.069 0.000 1.028 41 T CA -0.727 61.385 62.100 0.020 0.000 0.995 41 T CB 1.817 70.676 68.868 -0.015 0.000 1.051 41 T HN 0.383 nan 8.240 nan 0.000 0.470 42 S N 0.169 115.891 115.700 0.038 0.000 3.587 42 S HA -0.140 4.330 4.470 -0.000 0.000 0.337 42 S C 0.061 174.740 174.600 0.132 0.000 1.119 42 S CA 0.253 58.491 58.200 0.064 0.000 0.976 42 S CB -1.912 61.325 63.200 0.062 0.000 0.922 42 S HN 0.775 nan 8.310 nan 0.000 0.503 43 I N 1.833 122.525 120.570 0.203 0.000 2.428 43 I HA 0.321 4.491 4.170 -0.000 0.000 0.289 43 I C 0.864 177.143 176.117 0.271 0.000 1.019 43 I CA -0.087 61.393 61.300 0.300 0.000 1.351 43 I CB 0.748 39.022 38.000 0.456 0.000 1.412 43 I HN 0.172 nan 8.210 nan 0.000 0.513 44 E N 3.417 123.741 120.200 0.207 0.000 2.369 44 E HA 0.043 4.393 4.350 -0.000 0.000 0.255 44 E C 1.017 177.718 176.600 0.168 0.000 1.172 44 E CA -0.271 56.231 56.400 0.170 0.000 0.932 44 E CB 0.444 30.216 29.700 0.121 0.000 1.040 44 E HN 0.540 nan 8.360 nan 0.000 0.454 45 H N 2.107 121.168 119.070 -0.015 0.000 2.265 45 H HA -0.228 4.328 4.556 -0.000 0.000 0.295 45 H C 1.593 176.841 175.328 -0.134 0.000 1.084 45 H CA 2.210 58.147 56.048 -0.185 0.000 1.261 45 H CB 0.013 29.340 29.762 -0.727 0.000 1.360 45 H HN 0.556 nan 8.280 nan 0.000 0.487 46 N N 1.042 119.836 118.700 0.156 0.000 2.149 46 N HA -0.134 4.606 4.740 -0.000 0.000 0.188 46 N C 0.164 175.619 175.510 -0.092 0.000 1.019 46 N CA 0.316 53.410 53.050 0.073 0.000 0.857 46 N CB -0.056 38.460 38.487 0.049 0.000 0.997 46 N HN 0.199 nan 8.380 nan 0.000 0.426 47 R N 1.730 122.136 120.500 -0.158 0.000 2.644 47 R HA -0.122 4.218 4.340 -0.000 0.000 0.265 47 R C -0.355 175.835 176.300 -0.183 0.000 0.985 47 R CA 0.301 56.201 56.100 -0.335 0.000 1.097 47 R CB -0.505 29.573 30.300 -0.371 0.000 0.931 47 R HN 0.295 nan 8.270 nan 0.000 0.419 48 D N 1.574 121.915 120.400 -0.100 0.000 2.233 48 D HA 0.223 4.863 4.640 -0.000 0.000 0.240 48 D C 0.239 176.670 176.300 0.218 0.000 1.074 48 D CA -0.350 53.691 54.000 0.069 0.000 0.838 48 D CB 0.717 41.595 40.800 0.130 0.000 1.124 48 D HN 0.391 nan 8.370 nan 0.000 0.475 49 L N 2.772 123.935 121.223 -0.101 0.000 2.906 49 L HA 0.090 4.430 4.340 -0.000 0.000 0.255 49 L C 1.945 178.448 176.870 -0.613 0.000 1.166 49 L CA -0.059 54.473 54.840 -0.512 0.000 0.977 49 L CB 0.162 41.823 42.059 -0.663 0.000 1.313 49 L HN 0.438 nan 8.230 nan 0.000 0.549 50 S N 0.835 116.405 115.700 -0.217 0.000 2.420 50 S HA -0.264 4.206 4.470 -0.000 0.000 0.237 50 S C 1.853 176.384 174.600 -0.116 0.000 1.023 50 S CA 1.408 59.534 58.200 -0.124 0.000 0.991 50 S CB -0.848 62.351 63.200 -0.002 0.000 0.792 50 S HN 0.580 nan 8.310 nan 0.000 0.488 51 F N 1.552 121.494 119.950 -0.014 0.000 2.333 51 F HA 0.200 4.727 4.527 -0.000 0.000 0.300 51 F C 1.624 177.410 175.800 -0.023 0.000 1.083 51 F CA 0.252 58.244 58.000 -0.012 0.000 1.395 51 F CB -0.889 38.106 39.000 -0.008 0.000 1.056 51 F HN 0.118 nan 8.300 nan 0.000 0.529 52 L N 0.412 121.332 121.223 -0.506 0.000 2.549 52 L HA -0.016 4.324 4.340 -0.000 0.000 0.229 52 L C 2.284 179.054 176.870 -0.167 0.000 1.158 52 L CA 0.652 55.293 54.840 -0.330 0.000 0.842 52 L CB -0.647 41.104 42.059 -0.514 0.000 0.952 52 L HN 0.152 nan 8.230 nan 0.000 0.452 53 R N -0.255 120.173 120.500 -0.119 0.000 2.285 53 R HA -0.084 4.256 4.340 -0.000 0.000 0.213 53 R C 2.424 178.705 176.300 -0.032 0.000 1.068 53 R CA 1.214 57.269 56.100 -0.074 0.000 1.004 53 R CB -0.206 30.067 30.300 -0.045 0.000 0.873 53 R HN 0.461 nan 8.270 nan 0.000 0.467 54 S N -0.107 115.597 115.700 0.007 0.000 2.461 54 S HA 0.013 4.483 4.470 -0.000 0.000 0.228 54 S C 1.022 175.637 174.600 0.025 0.000 1.005 54 S CA -0.082 58.138 58.200 0.032 0.000 0.942 54 S CB 0.035 63.280 63.200 0.074 0.000 0.776 54 S HN -0.067 nan 8.310 nan 0.000 0.514 55 V N 2.841 122.758 119.914 0.005 0.000 2.446 55 V HA 0.253 4.373 4.120 -0.000 0.000 0.276 55 V C 1.179 177.257 176.094 -0.027 0.000 1.030 55 V CA 0.114 62.413 62.300 -0.002 0.000 1.033 55 V CB 0.600 32.398 31.823 -0.042 0.000 0.993 55 V HN 0.337 nan 8.190 nan 0.000 0.477 56 R N 2.253 122.751 120.500 -0.003 0.000 2.279 56 R HA 0.315 4.655 4.340 -0.000 0.000 0.195 56 R C 0.270 176.563 176.300 -0.013 0.000 0.905 56 R CA 0.427 56.517 56.100 -0.016 0.000 1.044 56 R CB 0.563 30.866 30.300 0.005 0.000 1.056 56 R HN 0.782 nan 8.270 nan 0.000 0.535 57 E N -0.681 119.522 120.200 0.006 0.000 2.366 57 E HA 0.416 4.766 4.350 -0.000 0.000 0.278 57 E C -1.531 175.075 176.600 0.010 0.000 0.923 57 E CA -0.809 55.593 56.400 0.003 0.000 0.761 57 E CB 3.184 32.886 29.700 0.002 0.000 1.231 57 E HN -0.265 nan 8.360 nan 0.000 0.443 58 V N 2.043 121.958 119.914 0.001 0.000 2.488 58 V HA 0.111 4.231 4.120 -0.000 0.000 0.293 58 V C 0.647 176.743 176.094 0.004 0.000 1.027 58 V CA -0.375 61.927 62.300 0.003 0.000 0.862 58 V CB 1.640 33.454 31.823 -0.014 0.000 1.008 58 V HN 0.846 nan 8.190 nan 0.000 0.428 59 T N 3.206 117.762 114.554 0.003 0.000 2.821 59 T HA -0.028 4.322 4.350 -0.000 0.000 0.267 59 T C 1.485 176.193 174.700 0.013 0.000 1.046 59 T CA 1.874 63.973 62.100 -0.002 0.000 1.139 59 T CB 0.086 68.950 68.868 -0.006 0.000 0.871 59 T HN 0.841 nan 8.240 nan 0.000 0.454 60 G N 0.356 109.152 108.800 -0.006 0.000 3.287 60 G HA2 0.462 4.422 3.960 -0.000 0.000 0.172 60 G HA3 0.462 4.422 3.960 -0.000 0.000 0.172 60 G C -0.232 174.717 174.900 0.082 0.000 1.922 60 G CA -0.153 44.948 45.100 0.002 0.000 0.952 60 G HN 0.522 nan 8.290 nan 0.000 0.520 61 Y N -2.224 118.127 120.300 0.084 0.000 2.630 61 Y HA 0.760 5.310 4.550 -0.000 0.000 0.337 61 Y C -0.847 175.087 175.900 0.058 0.000 1.051 61 Y CA -1.906 56.251 58.100 0.095 0.000 1.121 61 Y CB 1.462 40.014 38.460 0.154 0.000 1.299 61 Y HN 0.233 nan 8.280 nan 0.000 0.498 62 V N 3.118 123.213 119.914 0.302 0.000 2.409 62 V HA 0.415 4.535 4.120 -0.000 0.000 0.291 62 V C -1.134 175.070 176.094 0.184 0.000 1.020 62 V CA -0.556 61.827 62.300 0.138 0.000 0.848 62 V CB 1.226 33.080 31.823 0.051 0.000 0.990 62 V HN 0.713 nan 8.190 nan 0.000 0.430 63 L N 7.064 128.355 121.223 0.114 0.000 2.319 63 L HA 0.724 5.064 4.340 -0.000 0.000 0.281 63 L C -0.690 176.114 176.870 -0.111 0.000 1.005 63 L CA -0.009 54.814 54.840 -0.028 0.000 0.828 63 L CB 1.794 43.836 42.059 -0.027 0.000 1.227 63 L HN 0.413 nan 8.230 nan 0.000 0.415 64 V N 5.517 125.328 119.914 -0.172 0.000 2.340 64 V HA 0.890 5.010 4.120 -0.000 0.000 0.277 64 V C -0.014 175.870 176.094 -0.351 0.000 1.017 64 V CA 0.022 62.225 62.300 -0.161 0.000 0.820 64 V CB 0.668 32.453 31.823 -0.065 0.000 1.028 64 V HN 0.965 nan 8.190 nan 0.000 0.436 65 A N 3.495 126.064 122.820 -0.418 0.000 2.556 65 A HA 0.887 5.207 4.320 -0.000 0.000 0.294 65 A C 0.027 177.402 177.584 -0.347 0.000 1.091 65 A CA -0.723 50.936 52.037 -0.630 0.000 0.704 65 A CB 1.409 19.671 19.000 -1.231 0.000 1.300 65 A HN 1.022 nan 8.150 nan 0.000 0.406 66 L N -0.044 120.997 121.223 -0.302 0.000 3.843 66 L HA -0.229 4.111 4.340 -0.000 0.000 0.411 66 L C 0.037 176.820 176.870 -0.145 0.000 1.205 66 L CA 0.203 54.933 54.840 -0.184 0.000 0.945 66 L CB -2.091 39.901 42.059 -0.112 0.000 1.929 66 L HN 0.746 nan 8.230 nan 0.000 0.934 67 N N 0.372 118.943 118.700 -0.214 0.000 2.483 67 N HA 0.450 5.190 4.740 -0.000 0.000 0.285 67 N C 0.568 175.928 175.510 -0.250 0.000 1.210 67 N CA -0.504 52.383 53.050 -0.270 0.000 0.931 67 N CB 1.326 39.439 38.487 -0.624 0.000 1.220 67 N HN 0.265 nan 8.380 nan 0.000 0.542 68 Q N -0.380 119.303 119.800 -0.195 0.000 2.157 68 Q HA 0.171 4.511 4.340 -0.000 0.000 0.235 68 Q C -0.340 175.633 176.000 -0.045 0.000 0.803 68 Q CA -0.255 55.562 55.803 0.023 0.000 0.967 68 Q CB 0.328 29.222 28.738 0.260 0.000 1.150 68 Q HN 0.586 nan 8.270 nan 0.000 0.482 69 F N -0.592 119.354 119.950 -0.006 0.000 2.490 69 F HA 0.241 4.768 4.527 -0.000 0.000 0.336 69 F C 1.348 177.103 175.800 -0.074 0.000 1.178 69 F CA -0.625 57.287 58.000 -0.146 0.000 1.301 69 F CB 0.638 39.566 39.000 -0.120 0.000 1.175 69 F HN -0.234 nan 8.300 nan 0.000 0.593 70 R N 0.210 120.789 120.500 0.132 0.000 2.189 70 R HA 0.086 4.426 4.340 -0.000 0.000 0.203 70 R C -1.020 175.471 176.300 0.319 0.000 1.012 70 R CA 0.309 56.500 56.100 0.151 0.000 1.015 70 R CB 0.049 30.381 30.300 0.054 0.000 0.938 70 R HN 0.789 nan 8.270 nan 0.000 0.472 71 Y N 0.257 120.701 120.300 0.240 0.000 2.421 71 Y HA 0.320 4.870 4.550 -0.000 0.000 0.339 71 Y C -1.575 174.411 175.900 0.144 0.000 0.996 71 Y CA -1.469 56.736 58.100 0.174 0.000 1.046 71 Y CB 1.486 39.988 38.460 0.071 0.000 1.226 71 Y HN -0.100 nan 8.280 nan 0.000 0.445 72 L N 9.503 130.472 121.223 -0.425 0.000 2.268 72 L HA 0.573 4.913 4.340 -0.000 0.000 0.289 72 L C -2.578 173.850 176.870 -0.736 0.000 1.064 72 L CA -2.323 52.278 54.840 -0.398 0.000 0.824 72 L CB 0.763 42.721 42.059 -0.168 0.000 1.202 72 L HN 0.439 nan 8.230 nan 0.000 0.433 73 P HA 0.175 nan 4.420 nan 0.000 0.230 73 P C -0.296 176.843 177.300 -0.268 0.000 1.791 73 P CA 0.438 63.383 63.100 -0.259 0.000 1.020 73 P CB -0.208 31.417 31.700 -0.125 0.000 1.977 74 L N 0.927 121.961 121.223 -0.314 0.000 3.168 74 L HA 0.226 4.566 4.340 -0.000 0.000 0.277 74 L C 1.016 177.727 176.870 -0.265 0.000 1.308 74 L CA -0.017 54.661 54.840 -0.269 0.000 0.976 74 L CB 0.192 42.083 42.059 -0.279 0.000 1.383 74 L HN 0.007 nan 8.230 nan 0.000 0.572 75 E N -0.120 119.954 120.200 -0.211 0.000 2.401 75 E HA -0.105 4.245 4.350 -0.000 0.000 0.199 75 E C 1.247 177.740 176.600 -0.178 0.000 1.023 75 E CA 0.680 56.959 56.400 -0.201 0.000 0.859 75 E CB 0.012 29.667 29.700 -0.076 0.000 0.780 75 E HN 0.381 nan 8.360 nan 0.000 0.523 76 N N 0.075 118.684 118.700 -0.152 0.000 2.205 76 N HA 0.034 4.774 4.740 -0.000 0.000 0.201 76 N C -0.245 175.188 175.510 -0.129 0.000 1.128 76 N CA -0.142 52.831 53.050 -0.128 0.000 0.867 76 N CB 0.442 38.878 38.487 -0.085 0.000 0.996 76 N HN 0.143 nan 8.380 nan 0.000 0.503 77 L N 2.038 123.169 121.223 -0.154 0.000 2.456 77 L HA 0.126 4.466 4.340 -0.000 0.000 0.277 77 L C 1.347 178.140 176.870 -0.129 0.000 1.124 77 L CA 0.243 55.005 54.840 -0.131 0.000 0.880 77 L CB 0.824 42.792 42.059 -0.152 0.000 1.192 77 L HN -0.123 nan 8.230 nan 0.000 0.463 78 R N 5.388 125.839 120.500 -0.082 0.000 2.167 78 R HA 0.409 4.749 4.340 -0.000 0.000 0.201 78 R C -0.132 176.164 176.300 -0.007 0.000 1.024 78 R CA 0.772 56.839 56.100 -0.055 0.000 1.053 78 R CB 0.107 30.385 30.300 -0.037 0.000 0.987 78 R HN 0.647 nan 8.270 nan 0.000 0.493 79 I N 0.260 120.827 120.570 -0.004 0.000 2.802 79 I HA 0.419 4.589 4.170 -0.000 0.000 0.298 79 I C -1.619 174.505 176.117 0.013 0.000 1.176 79 I CA -1.190 60.119 61.300 0.016 0.000 1.025 79 I CB 2.125 40.135 38.000 0.016 0.000 1.243 79 I HN -0.015 nan 8.210 nan 0.000 0.424 80 I N 7.021 127.613 120.570 0.037 0.000 2.439 80 I HA 0.400 4.570 4.170 -0.000 0.000 0.283 80 I C 0.687 176.837 176.117 0.054 0.000 1.023 80 I CA -0.549 60.780 61.300 0.049 0.000 1.100 80 I CB 1.840 39.890 38.000 0.083 0.000 1.238 80 I HN 0.636 nan 8.210 nan 0.000 0.445 81 R N 3.670 124.191 120.500 0.034 0.000 2.193 81 R HA 0.100 4.440 4.340 -0.000 0.000 0.213 81 R C 1.365 177.698 176.300 0.055 0.000 1.055 81 R CA 0.615 56.730 56.100 0.025 0.000 0.995 81 R CB 0.037 30.331 30.300 -0.011 0.000 0.893 81 R HN 0.960 nan 8.270 nan 0.000 0.459 82 G N 1.756 110.607 108.800 0.086 0.000 2.323 82 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.292 82 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.292 82 G C 0.802 175.764 174.900 0.103 0.000 1.040 82 G CA 0.837 46.013 45.100 0.126 0.000 0.942 82 G HN 0.491 nan 8.290 nan 0.000 0.506 83 T N -3.447 111.154 114.554 0.078 0.000 3.051 83 T HA 0.223 4.573 4.350 -0.000 0.000 0.269 83 T C 0.915 175.671 174.700 0.092 0.000 1.127 83 T CA 1.496 63.634 62.100 0.065 0.000 1.107 83 T CB 0.445 69.338 68.868 0.042 0.000 0.898 83 T HN 0.561 nan 8.240 nan 0.000 0.517 84 K N 0.385 120.871 120.400 0.143 0.000 2.422 84 K HA 0.670 4.990 4.320 -0.000 0.000 0.251 84 K C -1.431 175.374 176.600 0.342 0.000 0.933 84 K CA -0.746 55.670 56.287 0.215 0.000 0.798 84 K CB 2.420 35.054 32.500 0.223 0.000 1.238 84 K HN 0.119 nan 8.250 nan 0.000 0.428 85 L N 2.566 123.933 121.223 0.240 0.000 2.386 85 L HA 0.392 4.732 4.340 -0.000 0.000 0.271 85 L C -0.704 176.058 176.870 -0.180 0.000 0.993 85 L CA -1.228 53.675 54.840 0.104 0.000 0.819 85 L CB 1.132 43.193 42.059 0.003 0.000 1.294 85 L HN 0.557 nan 8.230 nan 0.000 0.414 86 Y N 3.481 123.411 120.300 -0.617 0.000 2.620 86 Y HA -0.032 4.518 4.550 -0.000 0.000 0.330 86 Y C 1.001 176.710 175.900 -0.318 0.000 1.186 86 Y CA 0.172 57.835 58.100 -0.729 0.000 1.467 86 Y CB 0.292 38.417 38.460 -0.559 0.000 1.262 86 Y HN 0.672 nan 8.280 nan 0.000 0.550 87 E N 3.602 123.215 120.200 -0.978 0.000 2.805 87 E HA -0.335 4.015 4.350 -0.000 0.000 0.266 87 E C 0.037 176.356 176.600 -0.468 0.000 1.092 87 E CA 1.373 57.336 56.400 -0.728 0.000 0.781 87 E CB -1.228 28.013 29.700 -0.765 0.000 1.379 87 E HN 0.920 nan 8.360 nan 0.000 0.433 88 D N -1.986 118.203 120.400 -0.351 0.000 3.077 88 D HA -0.255 4.385 4.640 -0.000 0.000 0.217 88 D C 1.164 177.286 176.300 -0.298 0.000 1.162 88 D CA 1.754 55.610 54.000 -0.240 0.000 0.943 88 D CB -0.933 39.754 40.800 -0.188 0.000 1.122 88 D HN 0.541 nan 8.370 nan 0.000 0.413 89 R N -1.587 118.622 120.500 -0.486 0.000 2.444 89 R HA 0.154 4.494 4.340 -0.000 0.000 0.201 89 R C 0.197 176.157 176.300 -0.567 0.000 0.861 89 R CA 0.212 55.898 56.100 -0.690 0.000 1.034 89 R CB 0.648 30.167 30.300 -1.302 0.000 1.347 89 R HN 0.159 nan 8.270 nan 0.000 0.659 90 Y N -0.478 119.822 120.300 -0.000 0.000 2.352 90 Y HA 0.476 5.026 4.550 -0.000 0.000 0.339 90 Y C 0.841 176.809 175.900 0.113 0.000 0.992 90 Y CA -0.911 57.235 58.100 0.075 0.000 1.100 90 Y CB 1.750 40.294 38.460 0.140 0.000 1.192 90 Y HN -0.037 nan 8.280 nan 0.000 0.458 91 A N 2.587 125.579 122.820 0.287 0.000 2.072 91 A HA 0.116 4.436 4.320 -0.000 0.000 0.216 91 A C 0.032 177.785 177.584 0.281 0.000 1.156 91 A CA 0.754 52.954 52.037 0.271 0.000 0.701 91 A CB 0.147 19.270 19.000 0.206 0.000 0.816 91 A HN 0.560 nan 8.150 nan 0.000 0.458 92 L N -0.691 120.683 121.223 0.253 0.000 2.406 92 L HA 0.736 5.076 4.340 -0.000 0.000 0.272 92 L C -0.683 176.283 176.870 0.159 0.000 0.980 92 L CA -0.465 54.486 54.840 0.185 0.000 0.831 92 L CB 1.552 43.699 42.059 0.147 0.000 1.253 92 L HN 0.137 nan 8.230 nan 0.000 0.406 93 A N 6.576 129.485 122.820 0.148 0.000 2.332 93 A HA 0.826 5.146 4.320 -0.000 0.000 0.300 93 A C -1.089 176.559 177.584 0.107 0.000 1.153 93 A CA -0.274 51.881 52.037 0.197 0.000 0.764 93 A CB 0.613 19.764 19.000 0.252 0.000 1.174 93 A HN 0.621 nan 8.150 nan 0.000 0.467 94 I N 3.894 124.549 120.570 0.142 0.000 2.476 94 I HA 0.563 4.733 4.170 -0.000 0.000 0.281 94 I C -1.052 175.137 176.117 0.120 0.000 1.040 94 I CA -0.361 60.945 61.300 0.009 0.000 1.094 94 I CB 0.915 38.910 38.000 -0.010 0.000 1.219 94 I HN 0.695 nan 8.210 nan 0.000 0.450 95 F N 3.635 123.583 119.950 -0.004 0.000 2.693 95 F HA 0.629 5.156 4.527 -0.000 0.000 0.309 95 F C 0.011 175.832 175.800 0.034 0.000 1.129 95 F CA -1.403 56.618 58.000 0.035 0.000 0.948 95 F CB 1.060 40.165 39.000 0.174 0.000 1.315 95 F HN 0.173 nan 8.300 nan 0.000 0.447 96 L N 0.756 122.143 121.223 0.274 0.000 3.737 96 L HA -0.266 4.074 4.340 -0.000 0.000 0.418 96 L C -0.453 176.351 176.870 -0.111 0.000 1.216 96 L CA 0.374 55.274 54.840 0.100 0.000 0.915 96 L CB -1.368 40.757 42.059 0.109 0.000 1.834 96 L HN 0.721 nan 8.230 nan 0.000 0.943 97 N N 1.596 120.310 118.700 0.023 0.000 2.807 97 N HA 0.409 5.149 4.740 -0.000 0.000 0.259 97 N C -0.732 174.877 175.510 0.164 0.000 1.149 97 N CA 0.229 53.245 53.050 -0.056 0.000 1.042 97 N CB 0.369 38.773 38.487 -0.139 0.000 1.367 97 N HN 0.483 nan 8.380 nan 0.000 0.516 98 Y N -1.599 118.710 120.300 0.015 0.000 2.469 98 Y HA 0.154 4.704 4.550 -0.000 0.000 0.335 98 Y C -0.801 175.159 175.900 0.099 0.000 1.313 98 Y CA -1.525 56.653 58.100 0.129 0.000 1.324 98 Y CB 0.348 38.894 38.460 0.144 0.000 1.321 98 Y HN 0.169 nan 8.280 nan 0.000 0.477 99 R N 3.299 123.885 120.500 0.143 0.000 2.590 99 R HA 0.279 4.619 4.340 -0.000 0.000 0.274 99 R C -0.166 176.166 176.300 0.054 0.000 1.061 99 R CA -0.207 55.910 56.100 0.029 0.000 1.081 99 R CB 1.059 31.407 30.300 0.079 0.000 0.984 99 R HN 0.965 nan 8.270 nan 0.000 0.448 100 K N 1.438 121.815 120.400 -0.039 0.000 2.286 100 K HA -0.178 4.142 4.320 -0.000 0.000 0.203 100 K C 0.967 177.622 176.600 0.092 0.000 1.045 100 K CA 1.849 58.159 56.287 0.039 0.000 0.935 100 K CB -0.037 32.461 32.500 -0.003 0.000 0.737 100 K HN 0.647 nan 8.250 nan 0.000 0.460 101 D N -0.055 120.376 120.400 0.051 0.000 2.144 101 D HA -0.118 4.522 4.640 -0.000 0.000 0.199 101 D C 1.340 177.668 176.300 0.047 0.000 0.984 101 D CA 1.548 55.558 54.000 0.017 0.000 0.834 101 D CB -0.103 40.670 40.800 -0.046 0.000 0.955 101 D HN 0.437 nan 8.370 nan 0.000 0.465 102 G N 1.137 110.017 108.800 0.132 0.000 2.149 102 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.235 102 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.235 102 G C 0.838 175.861 174.900 0.204 0.000 1.018 102 G CA 0.409 45.641 45.100 0.219 0.000 0.728 102 G HN 0.199 nan 8.290 nan 0.000 0.508 103 N N -0.180 118.475 118.700 -0.076 0.000 2.132 103 N HA 0.172 4.912 4.740 -0.000 0.000 0.187 103 N C 0.868 176.175 175.510 -0.339 0.000 1.038 103 N CA 1.944 54.775 53.050 -0.366 0.000 0.846 103 N CB -0.208 37.714 38.487 -0.940 0.000 1.012 103 N HN 0.748 nan 8.380 nan 0.000 0.429 104 F N -2.336 117.634 119.950 0.032 0.000 2.664 104 F HA 0.851 5.378 4.527 -0.000 0.000 0.317 104 F C 0.206 176.107 175.800 0.169 0.000 1.108 104 F CA -1.421 56.466 58.000 -0.188 0.000 0.957 104 F CB 1.195 40.160 39.000 -0.058 0.000 1.365 104 F HN 0.111 nan 8.300 nan 0.000 0.475 105 G N -0.159 108.896 108.800 0.425 0.000 2.570 105 G HA2 0.491 4.451 3.960 -0.000 0.000 0.310 105 G HA3 0.491 4.451 3.960 -0.000 0.000 0.310 105 G C -2.326 172.727 174.900 0.255 0.000 1.266 105 G CA -1.025 44.368 45.100 0.490 0.000 0.825 105 G HN 0.822 nan 8.290 nan 0.000 0.483 106 L N 0.888 122.201 121.223 0.151 0.000 2.410 106 L HA 0.438 4.778 4.340 -0.000 0.000 0.273 106 L C 1.450 178.426 176.870 0.178 0.000 1.144 106 L CA 0.506 55.381 54.840 0.059 0.000 0.863 106 L CB 1.251 43.272 42.059 -0.063 0.000 1.140 106 L HN 0.794 nan 8.230 nan 0.000 0.463 107 Q N 3.028 122.940 119.800 0.187 0.000 2.431 107 Q HA 0.205 4.545 4.340 -0.000 0.000 0.244 107 Q C -0.192 175.957 176.000 0.248 0.000 0.880 107 Q CA 0.098 56.024 55.803 0.205 0.000 0.954 107 Q CB 0.626 29.476 28.738 0.187 0.000 1.105 107 Q HN 0.771 nan 8.270 nan 0.000 0.558 108 E N 0.352 120.734 120.200 0.304 0.000 2.308 108 E HA 0.368 4.718 4.350 -0.000 0.000 0.275 108 E C -1.599 175.124 176.600 0.205 0.000 0.890 108 E CA -0.486 56.150 56.400 0.393 0.000 0.754 108 E CB 1.610 31.646 29.700 0.559 0.000 1.207 108 E HN 0.199 nan 8.360 nan 0.000 0.426 109 L N 3.033 124.371 121.223 0.191 0.000 2.282 109 L HA 0.500 4.840 4.340 -0.000 0.000 0.288 109 L C 0.860 177.606 176.870 -0.207 0.000 1.033 109 L CA -0.723 54.101 54.840 -0.027 0.000 0.807 109 L CB 1.539 43.685 42.059 0.145 0.000 1.209 109 L HN 0.748 nan 8.230 nan 0.000 0.423 110 G N 4.461 112.915 108.800 -0.577 0.000 3.717 110 G HA2 0.378 4.338 3.960 -0.000 0.000 0.258 110 G HA3 0.378 4.338 3.960 -0.000 0.000 0.258 110 G C 0.390 174.906 174.900 -0.639 0.000 1.088 110 G CA -0.262 44.499 45.100 -0.565 0.000 1.737 110 G HN 0.562 nan 8.290 nan 0.000 0.648 111 L N 0.902 121.559 121.223 -0.943 0.000 2.978 111 L HA 0.154 4.494 4.340 -0.000 0.000 0.239 111 L C 2.250 178.219 176.870 -1.502 0.000 1.293 111 L CA -0.278 53.839 54.840 -1.204 0.000 1.085 111 L CB 0.181 41.387 42.059 -1.422 0.000 1.432 111 L HN 0.496 nan 8.230 nan 0.000 0.512 112 K N -1.476 118.295 120.400 -1.048 0.000 2.160 112 K HA -0.200 4.120 4.320 -0.000 0.000 0.206 112 K C 1.109 177.521 176.600 -0.314 0.000 1.047 112 K CA 1.746 57.684 56.287 -0.583 0.000 0.930 112 K CB -0.110 32.198 32.500 -0.319 0.000 0.720 112 K HN 0.196 nan 8.250 nan 0.000 0.450 113 N N 0.328 118.823 118.700 -0.342 0.000 2.280 113 N HA 0.058 4.798 4.740 -0.000 0.000 0.192 113 N C -0.644 174.759 175.510 -0.178 0.000 1.109 113 N CA -0.108 52.807 53.050 -0.226 0.000 0.855 113 N CB 0.238 38.590 38.487 -0.225 0.000 0.974 113 N HN 0.152 nan 8.380 nan 0.000 0.482 114 L N 1.580 122.654 121.223 -0.249 0.000 2.433 114 L HA 0.209 4.549 4.340 -0.000 0.000 0.284 114 L C 0.823 177.701 176.870 0.013 0.000 1.120 114 L CA 0.534 55.293 54.840 -0.134 0.000 0.879 114 L CB -0.037 41.894 42.059 -0.213 0.000 1.232 114 L HN 0.108 nan 8.230 nan 0.000 0.454 115 T N 0.102 114.690 114.554 0.057 0.000 3.091 115 T HA 0.364 4.714 4.350 -0.000 0.000 0.277 115 T C 0.212 174.973 174.700 0.102 0.000 0.996 115 T CA -0.251 61.911 62.100 0.103 0.000 0.897 115 T CB -0.084 68.866 68.868 0.136 0.000 1.109 115 T HN 0.467 nan 8.240 nan 0.000 0.534 116 E N 0.840 121.096 120.200 0.093 0.000 2.281 116 E HA 0.558 4.908 4.350 -0.000 0.000 0.266 116 E C -1.647 175.008 176.600 0.092 0.000 0.893 116 E CA -0.549 55.904 56.400 0.088 0.000 0.798 116 E CB 1.165 30.910 29.700 0.074 0.000 1.245 116 E HN 0.413 nan 8.360 nan 0.000 0.410 117 I N 7.052 127.688 120.570 0.111 0.000 2.464 117 I HA 0.177 4.347 4.170 -0.000 0.000 0.277 117 I C 0.902 177.075 176.117 0.093 0.000 1.040 117 I CA -0.405 60.967 61.300 0.121 0.000 1.153 117 I CB 1.016 39.122 38.000 0.176 0.000 1.274 117 I HN 0.644 nan 8.210 nan 0.000 0.469 118 L N 4.517 125.780 121.223 0.067 0.000 2.083 118 L HA -0.066 4.274 4.340 -0.000 0.000 0.209 118 L C 1.014 177.916 176.870 0.053 0.000 1.083 118 L CA 1.414 56.283 54.840 0.047 0.000 0.752 118 L CB -0.209 41.863 42.059 0.022 0.000 0.899 118 L HN 0.641 nan 8.230 nan 0.000 0.433 119 N N -1.316 117.424 118.700 0.067 0.000 2.277 119 N HA 0.408 5.148 4.740 -0.000 0.000 0.286 119 N C -0.565 174.998 175.510 0.088 0.000 1.140 119 N CA 0.473 53.564 53.050 0.069 0.000 0.799 119 N CB 2.266 40.788 38.487 0.057 0.000 1.596 119 N HN 0.133 nan 8.380 nan 0.000 0.473 120 G N 0.125 108.974 108.800 0.080 0.000 2.756 120 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.678 120 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.678 120 G C -0.120 174.852 174.900 0.120 0.000 1.349 120 G CA -0.352 44.800 45.100 0.088 0.000 0.847 120 G HN 0.796 nan 8.290 nan 0.000 0.548 121 G N -1.873 107.024 108.800 0.160 0.000 2.736 121 G HA2 0.842 4.802 3.960 -0.000 0.000 0.229 121 G HA3 0.842 4.802 3.960 -0.000 0.000 0.229 121 G C -0.697 174.361 174.900 0.263 0.000 1.380 121 G CA 0.100 45.331 45.100 0.218 0.000 1.040 121 G HN 1.632 nan 8.290 nan 0.000 0.568 122 V N -0.452 119.570 119.914 0.180 0.000 2.760 122 V HA 0.444 4.564 4.120 -0.000 0.000 0.309 122 V C -1.758 174.201 176.094 -0.225 0.000 1.077 122 V CA -0.616 61.656 62.300 -0.045 0.000 0.910 122 V CB 1.807 33.436 31.823 -0.324 0.000 1.008 122 V HN 0.661 nan 8.190 nan 0.000 0.424 123 Y N 4.365 124.363 120.300 -0.504 0.000 2.349 123 Y HA 0.740 5.290 4.550 -0.000 0.000 0.324 123 Y C -1.054 174.639 175.900 -0.345 0.000 1.005 123 Y CA -0.678 57.021 58.100 -0.668 0.000 1.240 123 Y CB 1.725 39.385 38.460 -1.334 0.000 1.117 123 Y HN 0.381 nan 8.280 nan 0.000 0.463 124 V N 6.308 125.750 119.914 -0.787 0.000 2.447 124 V HA 0.517 4.637 4.120 -0.000 0.000 0.292 124 V C -1.104 174.644 176.094 -0.578 0.000 1.021 124 V CA -0.407 61.578 62.300 -0.526 0.000 0.850 124 V CB 1.478 33.087 31.823 -0.357 0.000 1.005 124 V HN 0.808 nan 8.190 nan 0.000 0.426 125 D N 2.736 122.842 120.400 -0.490 0.000 2.742 125 D HA 0.334 4.974 4.640 -0.000 0.000 0.262 125 D C -0.579 175.667 176.300 -0.089 0.000 1.240 125 D CA -0.209 53.589 54.000 -0.336 0.000 0.752 125 D CB 1.193 41.687 40.800 -0.510 0.000 1.290 125 D HN 0.276 nan 8.370 nan 0.000 0.420 126 Q N -0.209 119.571 119.800 -0.033 0.000 2.502 126 Q HA -0.218 4.122 4.340 -0.000 0.000 0.273 126 Q C -1.094 174.993 176.000 0.146 0.000 1.127 126 Q CA 0.782 56.631 55.803 0.077 0.000 0.952 126 Q CB -2.617 26.229 28.738 0.180 0.000 1.333 126 Q HN 0.541 nan 8.270 nan 0.000 0.494 127 N N 0.429 119.141 118.700 0.021 0.000 2.707 127 N HA 0.189 4.929 4.740 -0.000 0.000 0.235 127 N C 0.832 176.215 175.510 -0.212 0.000 1.028 127 N CA -0.401 52.667 53.050 0.031 0.000 0.906 127 N CB 1.260 39.773 38.487 0.044 0.000 1.131 127 N HN 0.107 nan 8.380 nan 0.000 0.509 128 K N 1.169 121.197 120.400 -0.620 0.000 2.127 128 K HA -0.201 4.119 4.320 -0.000 0.000 0.212 128 K C 0.087 176.186 176.600 -0.835 0.000 1.050 128 K CA 1.848 57.536 56.287 -0.998 0.000 0.929 128 K CB -0.024 31.376 32.500 -1.834 0.000 0.715 128 K HN 0.493 nan 8.250 nan 0.000 0.457 129 F N -0.169 119.697 119.950 -0.140 0.000 2.678 129 F HA 0.180 4.707 4.527 -0.000 0.000 0.305 129 F C 0.259 176.035 175.800 -0.042 0.000 1.090 129 F CA -1.149 56.813 58.000 -0.064 0.000 1.272 129 F CB 0.366 39.367 39.000 0.001 0.000 1.060 129 F HN -0.051 nan 8.300 nan 0.000 0.576 130 L N 1.258 122.528 121.223 0.078 0.000 2.499 130 L HA 0.179 4.519 4.340 -0.000 0.000 0.273 130 L C -0.244 176.617 176.870 -0.016 0.000 1.195 130 L CA 0.081 54.958 54.840 0.060 0.000 0.882 130 L CB -0.040 42.046 42.059 0.045 0.000 1.133 130 L HN 0.134 nan 8.230 nan 0.000 0.483 131 c N 3.385 121.952 118.600 -0.056 0.000 2.913 131 c HA 0.541 5.111 4.570 -0.000 0.000 0.322 131 c C 0.516 174.483 174.090 -0.204 0.000 1.292 131 c CA -0.373 55.765 56.329 -0.319 0.000 1.649 131 c CB 1.162 43.210 42.510 -0.771 0.000 2.139 131 c HN 0.998 nan 8.230 nan 0.000 0.475 132 Y N -0.877 119.458 120.300 0.058 0.000 2.884 132 Y HA -0.402 4.147 4.550 -0.000 0.000 0.483 132 Y C 2.146 178.036 175.900 -0.017 0.000 1.209 132 Y CA 1.401 59.515 58.100 0.023 0.000 2.681 132 Y CB -2.113 36.387 38.460 0.066 0.000 0.894 132 Y HN 0.759 nan 8.280 nan 0.000 0.529 133 A N 1.201 124.155 122.820 0.223 0.000 2.054 133 A HA -0.304 4.016 4.320 -0.000 0.000 0.223 133 A C 1.808 179.521 177.584 0.214 0.000 1.169 133 A CA 2.362 54.541 52.037 0.236 0.000 0.655 133 A CB -0.790 18.410 19.000 0.332 0.000 0.812 133 A HN 0.785 nan 8.150 nan 0.000 0.462 134 D N -0.827 119.641 120.400 0.112 0.000 2.347 134 D HA -0.109 4.531 4.640 -0.000 0.000 0.215 134 D C 1.570 177.875 176.300 0.007 0.000 0.976 134 D CA 1.524 55.575 54.000 0.085 0.000 0.884 134 D CB -0.857 39.958 40.800 0.025 0.000 0.915 134 D HN 0.536 nan 8.370 nan 0.000 0.526 135 T N -1.569 112.937 114.554 -0.080 0.000 3.054 135 T HA 0.091 4.441 4.350 -0.000 0.000 0.259 135 T C 1.265 175.694 174.700 -0.451 0.000 1.092 135 T CA -0.402 61.580 62.100 -0.198 0.000 1.121 135 T CB -0.082 68.697 68.868 -0.148 0.000 0.912 135 T HN -0.062 nan 8.240 nan 0.000 0.489 136 I N 3.309 123.565 120.570 -0.523 0.000 2.710 136 I HA 0.081 4.251 4.170 -0.000 0.000 0.286 136 I C 0.258 175.945 176.117 -0.717 0.000 1.181 136 I CA -0.107 60.665 61.300 -0.880 0.000 1.430 136 I CB 0.009 37.167 38.000 -1.403 0.000 1.367 136 I HN 0.352 nan 8.210 nan 0.000 0.577 137 H N 6.501 125.295 119.070 -0.461 0.000 2.872 137 H HA 0.052 4.608 4.556 -0.000 0.000 0.273 137 H C 0.369 175.526 175.328 -0.285 0.000 1.205 137 H CA -0.290 55.614 56.048 -0.241 0.000 1.342 137 H CB 0.079 29.747 29.762 -0.156 0.000 1.469 137 H HN 0.607 nan 8.280 nan 0.000 0.487 138 W N 1.442 122.762 121.300 0.033 0.000 2.465 138 W HA -0.088 4.572 4.660 -0.000 0.000 0.268 138 W C 1.882 178.418 176.519 0.029 0.000 1.242 138 W CA 0.049 57.412 57.345 0.030 0.000 1.248 138 W CB 0.220 29.691 29.460 0.017 0.000 1.118 138 W HN 0.476 nan 8.180 nan 0.000 0.587 139 Q N -0.130 119.773 119.800 0.172 0.000 2.291 139 Q HA -0.214 4.126 4.340 -0.000 0.000 0.206 139 Q C 1.274 177.300 176.000 0.044 0.000 0.976 139 Q CA 1.801 57.646 55.803 0.071 0.000 0.875 139 Q CB -0.579 28.165 28.738 0.011 0.000 0.927 139 Q HN 0.461 nan 8.270 nan 0.000 0.450 140 D N -0.169 120.256 120.400 0.041 0.000 2.194 140 D HA -0.010 4.630 4.640 -0.000 0.000 0.204 140 D C 1.755 178.083 176.300 0.047 0.000 0.964 140 D CA 0.458 54.472 54.000 0.024 0.000 0.846 140 D CB 0.212 41.019 40.800 0.011 0.000 0.962 140 D HN 0.169 nan 8.370 nan 0.000 0.490 141 I N -0.103 120.511 120.570 0.074 0.000 2.385 141 I HA -0.016 4.154 4.170 -0.000 0.000 0.244 141 I C 0.420 176.628 176.117 0.151 0.000 1.089 141 I CA 0.146 61.518 61.300 0.121 0.000 1.410 141 I CB 0.112 38.207 38.000 0.159 0.000 1.117 141 I HN -0.182 nan 8.210 nan 0.000 0.429 142 V N 3.363 123.390 119.914 0.188 0.000 2.421 142 V HA 0.003 4.123 4.120 -0.000 0.000 0.271 142 V C 1.541 177.680 176.094 0.074 0.000 1.031 142 V CA 0.392 62.782 62.300 0.150 0.000 1.032 142 V CB 0.455 32.375 31.823 0.162 0.000 1.009 142 V HN 0.316 nan 8.190 nan 0.000 0.477 143 R N 4.092 124.631 120.500 0.065 0.000 2.073 143 R HA -0.083 4.257 4.340 -0.000 0.000 0.234 143 R C 1.106 177.416 176.300 0.016 0.000 1.134 143 R CA 1.141 57.264 56.100 0.038 0.000 0.952 143 R CB 0.125 30.450 30.300 0.043 0.000 0.850 143 R HN 0.705 nan 8.270 nan 0.000 0.433 144 N N 0.795 119.509 118.700 0.023 0.000 2.527 144 N HA 0.099 4.839 4.740 -0.000 0.000 0.236 144 N C -1.984 173.493 175.510 -0.056 0.000 0.999 144 N CA -1.771 51.287 53.050 0.013 0.000 0.935 144 N CB 1.765 40.289 38.487 0.062 0.000 1.132 144 N HN 0.124 nan 8.380 nan 0.000 0.511 145 P HA 0.021 nan 4.420 nan 0.000 0.242 145 P C -0.592 176.382 177.300 -0.544 0.000 1.197 145 P CA 0.378 63.204 63.100 -0.456 0.000 0.765 145 P CB 0.053 31.324 31.700 -0.716 0.000 0.936 146 W N 1.197 122.521 121.300 0.040 0.000 2.573 146 W HA 0.461 5.121 4.660 -0.000 0.000 0.326 146 W C -2.292 174.239 176.519 0.021 0.000 1.049 146 W CA -2.645 54.717 57.345 0.028 0.000 1.220 146 W CB 0.301 29.772 29.460 0.019 0.000 1.373 146 W HN -0.212 nan 8.180 nan 0.000 0.507 147 P HA 0.069 nan 4.420 nan 0.000 0.281 147 P C 0.872 178.317 177.300 0.241 0.000 1.252 147 P CA -0.096 63.213 63.100 0.349 0.000 0.778 147 P CB 1.296 33.108 31.700 0.186 0.000 0.895 148 S N 2.087 117.946 115.700 0.266 0.000 2.441 148 S HA -0.280 4.190 4.470 -0.000 0.000 0.242 148 S C 1.779 176.426 174.600 0.079 0.000 1.018 148 S CA 1.489 59.715 58.200 0.042 0.000 0.988 148 S CB -0.919 62.298 63.200 0.029 0.000 0.778 148 S HN 0.455 nan 8.310 nan 0.000 0.498 149 N N 2.152 120.927 118.700 0.125 0.000 2.137 149 N HA -0.057 4.683 4.740 -0.000 0.000 0.190 149 N C 1.191 176.779 175.510 0.130 0.000 1.017 149 N CA 1.453 54.568 53.050 0.109 0.000 0.859 149 N CB -0.705 37.843 38.487 0.102 0.000 1.002 149 N HN 0.596 nan 8.380 nan 0.000 0.428 150 L N -0.432 120.877 121.223 0.143 0.000 2.660 150 L HA 0.142 4.482 4.340 -0.000 0.000 0.238 150 L C -0.126 176.906 176.870 0.268 0.000 1.161 150 L CA 0.248 55.231 54.840 0.239 0.000 0.937 150 L CB -0.190 41.939 42.059 0.117 0.000 1.122 150 L HN -0.025 nan 8.230 nan 0.000 0.435 151 T N 1.368 115.997 114.554 0.125 0.000 3.150 151 T HA 0.406 4.756 4.350 -0.000 0.000 0.383 151 T C -0.744 173.922 174.700 -0.056 0.000 1.313 151 T CA -0.206 61.905 62.100 0.018 0.000 1.235 151 T CB 1.126 69.996 68.868 0.002 0.000 1.088 151 T HN -0.077 nan 8.240 nan 0.000 0.556 152 L N 4.730 125.885 121.223 -0.114 0.000 2.349 152 L HA 0.804 5.144 4.340 -0.000 0.000 0.278 152 L C -1.216 175.432 176.870 -0.371 0.000 0.996 152 L CA -0.558 54.180 54.840 -0.169 0.000 0.825 152 L CB 1.424 43.447 42.059 -0.060 0.000 1.243 152 L HN 0.295 nan 8.230 nan 0.000 0.412 153 V N 3.858 123.567 119.914 -0.341 0.000 2.577 153 V HA 0.806 4.926 4.120 -0.000 0.000 0.303 153 V C -0.535 175.429 176.094 -0.216 0.000 1.042 153 V CA -0.392 61.678 62.300 -0.384 0.000 0.872 153 V CB 1.803 33.333 31.823 -0.489 0.000 0.998 153 V HN 0.809 nan 8.190 nan 0.000 0.423 154 S N 2.514 118.090 115.700 -0.206 0.000 2.543 154 S HA 0.615 5.085 4.470 -0.000 0.000 0.271 154 S C 0.045 174.582 174.600 -0.106 0.000 1.148 154 S CA 0.261 58.383 58.200 -0.130 0.000 0.914 154 S CB 2.076 65.198 63.200 -0.130 0.000 1.096 154 S HN 1.024 nan 8.310 nan 0.000 0.471 155 T N 1.060 115.569 114.554 -0.075 0.000 3.337 155 T HA 0.283 4.633 4.350 -0.000 0.000 0.299 155 T C 0.883 175.536 174.700 -0.079 0.000 0.998 155 T CA -0.452 61.603 62.100 -0.075 0.000 0.948 155 T CB -0.281 68.551 68.868 -0.059 0.000 1.170 155 T HN 0.472 nan 8.240 nan 0.000 0.508 156 N N 2.541 121.197 118.700 -0.074 0.000 2.132 156 N HA -0.066 4.674 4.740 -0.000 0.000 0.191 156 N C 1.857 177.321 175.510 -0.077 0.000 1.015 156 N CA 1.838 54.849 53.050 -0.066 0.000 0.864 156 N CB -0.536 37.916 38.487 -0.058 0.000 1.006 156 N HN 0.689 nan 8.380 nan 0.000 0.430 157 G N -0.726 108.014 108.800 -0.099 0.000 3.088 157 G HA2 0.083 4.043 3.960 -0.000 0.000 0.217 157 G HA3 0.083 4.043 3.960 -0.000 0.000 0.217 157 G C 0.194 175.003 174.900 -0.152 0.000 1.159 157 G CA -0.234 44.794 45.100 -0.120 0.000 0.760 157 G HN 0.093 nan 8.290 nan 0.000 0.550 158 S N 0.506 116.123 115.700 -0.139 0.000 2.576 158 S HA 0.487 4.957 4.470 -0.000 0.000 0.276 158 S C 0.513 175.064 174.600 -0.081 0.000 1.339 158 S CA -0.309 57.810 58.200 -0.136 0.000 1.039 158 S CB 1.295 64.433 63.200 -0.103 0.000 0.902 158 S HN 0.532 nan 8.310 nan 0.000 0.516 159 S N 0.653 116.334 115.700 -0.031 0.000 2.607 159 S HA 0.781 5.251 4.470 -0.000 0.000 0.303 159 S C 0.501 175.138 174.600 0.062 0.000 1.086 159 S CA -0.273 57.936 58.200 0.014 0.000 0.995 159 S CB 1.276 64.494 63.200 0.030 0.000 1.084 159 S HN 1.622 nan 8.310 nan 0.000 0.507 160 G N 0.062 108.882 108.800 0.035 0.000 2.298 160 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.287 160 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.287 160 G C 0.040 174.942 174.900 0.003 0.000 1.075 160 G CA -0.114 45.006 45.100 0.033 0.000 0.960 160 G HN 0.981 nan 8.290 nan 0.000 0.502 161 c N 0.464 119.039 118.600 -0.042 0.000 2.295 161 c HA 0.777 5.346 4.570 -0.000 0.000 0.331 161 c C 1.526 175.575 174.090 -0.068 0.000 1.280 161 c CA 0.072 56.322 56.329 -0.131 0.000 1.746 161 c CB 0.624 43.013 42.510 -0.201 0.000 2.328 161 c HN 0.866 nan 8.230 nan 0.000 0.521 162 G N 3.072 111.866 108.800 -0.010 0.000 2.516 162 G HA2 0.531 4.491 3.960 -0.000 0.000 0.276 162 G HA3 0.531 4.491 3.960 -0.000 0.000 0.276 162 G C -0.265 174.745 174.900 0.183 0.000 1.390 162 G CA -0.421 44.756 45.100 0.128 0.000 1.050 162 G HN 0.764 nan 8.290 nan 0.000 0.519 163 R N -2.377 118.249 120.500 0.209 0.000 2.902 163 R HA 0.461 4.801 4.340 -0.000 0.000 0.258 163 R C -0.845 175.573 176.300 0.196 0.000 1.071 163 R CA -0.717 55.492 56.100 0.183 0.000 1.024 163 R CB 1.529 31.877 30.300 0.080 0.000 1.184 163 R HN 0.472 nan 8.270 nan 0.000 0.492 164 c N 0.822 119.501 118.600 0.131 0.000 2.604 164 c HA 0.138 4.708 4.570 -0.000 0.000 0.396 164 c C 0.714 174.846 174.090 0.071 0.000 1.282 164 c CA -0.288 56.083 56.329 0.070 0.000 2.292 164 c CB -0.380 42.152 42.510 0.037 0.000 2.633 164 c HN 0.721 nan 8.230 nan 0.000 0.620 165 H N 1.595 120.652 119.070 -0.021 0.000 2.948 165 H HA 0.028 4.584 4.556 -0.000 0.000 0.351 165 H C 1.505 176.829 175.328 -0.008 0.000 1.079 165 H CA 0.708 56.747 56.048 -0.014 0.000 1.407 165 H CB 0.772 30.520 29.762 -0.023 0.000 1.373 165 H HN 0.720 nan 8.280 nan 0.000 0.605 166 K N 1.193 121.559 120.400 -0.057 0.000 2.360 166 K HA -0.134 4.186 4.320 -0.000 0.000 0.201 166 K C 1.468 178.166 176.600 0.163 0.000 1.046 166 K CA 1.464 57.774 56.287 0.038 0.000 0.945 166 K CB 0.120 32.588 32.500 -0.054 0.000 0.750 166 K HN 0.491 nan 8.250 nan 0.000 0.464 167 S N -0.251 115.674 115.700 0.375 0.000 2.548 167 S HA 0.045 4.515 4.470 -0.000 0.000 0.215 167 S C 1.801 176.447 174.600 0.077 0.000 0.976 167 S CA -0.004 58.300 58.200 0.174 0.000 0.908 167 S CB -0.295 62.965 63.200 0.099 0.000 0.781 167 S HN 0.401 nan 8.310 nan 0.000 0.519 168 c N 1.646 120.297 118.600 0.086 0.000 2.468 168 c HA 0.220 4.790 4.570 -0.000 0.000 0.277 168 c C 1.199 175.294 174.090 0.009 0.000 1.400 168 c CA 0.632 56.975 56.329 0.023 0.000 1.770 168 c CB -1.397 41.121 42.510 0.014 0.000 1.905 168 c HN 0.695 nan 8.230 nan 0.000 0.519 169 T N -0.285 114.285 114.554 0.027 0.000 4.308 169 T HA -0.105 4.245 4.350 -0.000 0.000 0.338 169 T C 0.943 175.649 174.700 0.009 0.000 0.756 169 T CA 0.922 63.036 62.100 0.023 0.000 1.963 169 T CB -2.004 66.881 68.868 0.028 0.000 1.887 169 T HN 1.351 nan 8.240 nan 0.000 0.916 170 G N 1.260 110.057 108.800 -0.005 0.000 2.168 170 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.257 170 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.257 170 G C -0.054 174.775 174.900 -0.118 0.000 0.997 170 G CA 0.598 45.680 45.100 -0.030 0.000 0.708 170 G HN 1.277 nan 8.290 nan 0.000 0.520 171 R N -1.181 119.225 120.500 -0.158 0.000 2.507 171 R HA 0.654 4.994 4.340 -0.000 0.000 0.298 171 R C -0.228 175.897 176.300 -0.291 0.000 1.087 171 R CA -0.185 55.723 56.100 -0.319 0.000 0.917 171 R CB 0.558 30.606 30.300 -0.420 0.000 1.173 171 R HN 0.940 nan 8.270 nan 0.000 0.472 172 c N -0.188 118.209 118.600 -0.338 0.000 3.311 172 c HA 0.632 5.202 4.570 -0.000 0.000 0.325 172 c C -0.016 173.842 174.090 -0.386 0.000 1.352 172 c CA -0.851 55.293 56.329 -0.309 0.000 1.308 172 c CB 0.709 43.135 42.510 -0.140 0.000 1.619 172 c HN 1.027 nan 8.230 nan 0.000 0.469 173 W N 1.209 122.439 121.300 -0.116 0.000 2.872 173 W HA 0.521 5.181 4.660 -0.000 0.000 0.266 173 W C 1.210 177.631 176.519 -0.165 0.000 1.276 173 W CA 0.832 58.124 57.345 -0.088 0.000 1.471 173 W CB 0.399 29.758 29.460 -0.168 0.000 1.071 173 W HN 1.227 nan 8.180 nan 0.000 0.619 174 G N -1.414 107.277 108.800 -0.181 0.000 2.682 174 G HA2 0.322 4.282 3.960 -0.000 0.000 0.303 174 G HA3 0.322 4.282 3.960 -0.000 0.000 0.303 174 G C -2.500 172.014 174.900 -0.644 0.000 1.341 174 G CA -0.730 44.021 45.100 -0.581 0.000 0.784 174 G HN -0.438 nan 8.290 nan 0.000 0.497 175 P HA 0.072 nan 4.420 nan 0.000 0.218 175 P C 1.421 178.700 177.300 -0.035 0.000 1.152 175 P CA 1.197 64.205 63.100 -0.152 0.000 0.826 175 P CB -0.119 31.572 31.700 -0.015 0.000 0.790 176 T N -1.691 112.820 114.554 -0.073 0.000 2.906 176 T HA -0.055 4.295 4.350 -0.000 0.000 0.320 176 T C 1.233 175.907 174.700 -0.043 0.000 1.088 176 T CA -0.148 61.905 62.100 -0.079 0.000 1.120 176 T CB 0.721 69.422 68.868 -0.277 0.000 1.000 176 T HN 0.161 nan 8.240 nan 0.000 0.550 177 E N 1.420 121.553 120.200 -0.111 0.000 2.208 177 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 177 E C 1.445 177.945 176.600 -0.167 0.000 0.988 177 E CA 0.675 56.864 56.400 -0.351 0.000 0.828 177 E CB -0.109 29.140 29.700 -0.753 0.000 0.763 177 E HN 0.678 nan 8.360 nan 0.000 0.478 178 N N 0.195 118.821 118.700 -0.124 0.000 2.550 178 N HA -0.085 4.655 4.740 -0.000 0.000 0.186 178 N C 0.181 175.784 175.510 0.156 0.000 1.110 178 N CA 0.733 53.760 53.050 -0.038 0.000 0.912 178 N CB -0.052 38.386 38.487 -0.083 0.000 0.968 178 N HN 0.432 nan 8.380 nan 0.000 0.448 179 H N -1.135 117.929 119.070 -0.009 0.000 2.486 179 H HA 0.234 4.790 4.556 -0.000 0.000 0.284 179 H C 0.245 175.625 175.328 0.087 0.000 1.103 179 H CA -0.795 55.294 56.048 0.068 0.000 1.089 179 H CB 0.505 30.307 29.762 0.067 0.000 1.603 179 H HN 0.084 nan 8.280 nan 0.000 0.557 180 c N 0.843 119.516 118.600 0.122 0.000 2.705 180 c HA 0.026 4.596 4.570 -0.000 0.000 0.348 180 c C 0.903 175.019 174.090 0.043 0.000 1.386 180 c CA -0.134 56.211 56.329 0.027 0.000 2.361 180 c CB 0.700 43.205 42.510 -0.008 0.000 2.486 180 c HN 0.562 nan 8.230 nan 0.000 0.728 181 Q N 0.402 120.157 119.800 -0.075 0.000 2.257 181 Q HA 0.317 4.657 4.340 -0.000 0.000 0.255 181 Q C -0.924 175.078 176.000 0.004 0.000 0.920 181 Q CA 0.093 55.851 55.803 -0.074 0.000 0.927 181 Q CB 0.897 29.451 28.738 -0.307 0.000 1.229 181 Q HN 0.791 nan 8.270 nan 0.000 0.433 182 T N 5.199 119.795 114.554 0.070 0.000 2.733 182 T HA 0.360 4.710 4.350 -0.000 0.000 0.294 182 T C -0.047 174.697 174.700 0.073 0.000 0.956 182 T CA -0.454 61.692 62.100 0.077 0.000 0.987 182 T CB 0.214 69.148 68.868 0.111 0.000 0.920 182 T HN 0.488 nan 8.240 nan 0.000 0.470 183 L N 3.750 125.004 121.223 0.052 0.000 2.305 183 L HA 0.398 4.738 4.340 -0.000 0.000 0.281 183 L C 1.442 178.343 176.870 0.051 0.000 1.085 183 L CA -0.437 54.427 54.840 0.041 0.000 0.813 183 L CB 0.892 42.965 42.059 0.022 0.000 1.157 183 L HN 0.804 nan 8.230 nan 0.000 0.436 184 T N -1.693 112.891 114.554 0.050 0.000 3.170 184 T HA 0.217 4.567 4.350 -0.000 0.000 0.288 184 T C 0.862 175.566 174.700 0.006 0.000 0.992 184 T CA -0.418 61.708 62.100 0.044 0.000 0.909 184 T CB 0.396 69.315 68.868 0.085 0.000 1.133 184 T HN 0.658 nan 8.240 nan 0.000 0.530 185 R N 0.885 121.383 120.500 -0.002 0.000 3.275 185 R HA 0.097 4.437 4.340 -0.000 0.000 0.154 185 R C 2.288 178.569 176.300 -0.032 0.000 0.843 185 R CA 1.081 57.171 56.100 -0.016 0.000 1.027 185 R CB -0.466 29.832 30.300 -0.003 0.000 1.423 185 R HN 0.296 nan 8.270 nan 0.000 0.530 186 T N -0.287 114.247 114.554 -0.033 0.000 2.897 186 T HA -0.091 4.259 4.350 -0.000 0.000 0.271 186 T C 1.629 176.291 174.700 -0.063 0.000 1.084 186 T CA 1.380 63.450 62.100 -0.051 0.000 1.123 186 T CB -0.361 68.467 68.868 -0.066 0.000 0.865 186 T HN 0.205 nan 8.240 nan 0.000 0.496 187 V N -1.565 118.312 119.914 -0.061 0.000 3.608 187 V HA 0.333 4.453 4.120 -0.000 0.000 0.269 187 V C 1.394 177.429 176.094 -0.098 0.000 1.245 187 V CA -1.330 60.923 62.300 -0.078 0.000 1.138 187 V CB -1.693 30.088 31.823 -0.070 0.000 0.841 187 V HN 0.534 nan 8.190 nan 0.000 0.451 188 c N 2.206 120.755 118.600 -0.086 0.000 2.689 188 c HA 0.676 5.246 4.570 -0.000 0.000 0.409 188 c C 1.411 175.446 174.090 -0.091 0.000 1.293 188 c CA -0.128 56.141 56.329 -0.100 0.000 2.136 188 c CB -0.013 42.445 42.510 -0.087 0.000 2.719 188 c HN 0.726 nan 8.230 nan 0.000 0.644 189 A N 1.144 123.908 122.820 -0.093 0.000 2.386 189 A HA 0.263 4.583 4.320 -0.000 0.000 0.246 189 A C 1.421 178.977 177.584 -0.047 0.000 1.089 189 A CA 0.266 52.263 52.037 -0.065 0.000 0.790 189 A CB 0.080 19.054 19.000 -0.045 0.000 1.042 189 A HN 0.976 nan 8.150 nan 0.000 0.497 190 E N 0.321 120.502 120.200 -0.031 0.000 2.070 190 E HA -0.269 4.081 4.350 -0.000 0.000 0.197 190 E C 1.622 178.209 176.600 -0.022 0.000 1.004 190 E CA 2.485 58.872 56.400 -0.022 0.000 0.805 190 E CB -0.422 29.270 29.700 -0.013 0.000 0.744 190 E HN 0.712 nan 8.360 nan 0.000 0.451 191 Q N -0.242 119.546 119.800 -0.021 0.000 2.297 191 Q HA -0.019 4.321 4.340 -0.000 0.000 0.208 191 Q C 0.342 176.323 176.000 -0.032 0.000 0.981 191 Q CA 0.942 56.732 55.803 -0.022 0.000 0.876 191 Q CB -0.602 28.124 28.738 -0.019 0.000 0.921 191 Q HN 0.272 nan 8.270 nan 0.000 0.446 192 c N 1.980 120.555 118.600 -0.042 0.000 2.634 192 c HA -0.014 4.556 4.570 -0.000 0.000 0.418 192 c C 1.445 175.510 174.090 -0.042 0.000 1.373 192 c CA -0.672 55.625 56.329 -0.054 0.000 1.756 192 c CB 0.065 42.533 42.510 -0.070 0.000 2.589 192 c HN 0.466 nan 8.230 nan 0.000 0.602 193 D N 1.125 121.498 120.400 -0.046 0.000 2.183 193 D HA 0.059 4.699 4.640 -0.000 0.000 0.205 193 D C 1.507 177.789 176.300 -0.030 0.000 0.962 193 D CA 1.426 55.405 54.000 -0.035 0.000 0.849 193 D CB 0.271 41.044 40.800 -0.046 0.000 0.978 193 D HN 0.824 nan 8.370 nan 0.000 0.488 194 G N -0.263 108.514 108.800 -0.038 0.000 2.844 194 G HA2 0.221 4.181 3.960 -0.000 0.000 0.204 194 G HA3 0.221 4.181 3.960 -0.000 0.000 0.204 194 G C 0.306 175.184 174.900 -0.035 0.000 1.815 194 G CA -0.322 44.761 45.100 -0.028 0.000 0.739 194 G HN -0.109 nan 8.290 nan 0.000 0.807 195 R N -0.653 119.823 120.500 -0.040 0.000 2.608 195 R HA 0.646 4.986 4.340 -0.000 0.000 0.255 195 R C -0.379 175.866 176.300 -0.092 0.000 1.086 195 R CA 0.001 56.072 56.100 -0.049 0.000 1.125 195 R CB 0.956 31.233 30.300 -0.039 0.000 1.193 195 R HN 0.810 nan 8.270 nan 0.000 0.553 196 c N -1.416 117.122 118.600 -0.103 0.000 3.321 196 c HA 0.534 5.104 4.570 -0.000 0.000 0.329 196 c C -0.110 173.914 174.090 -0.110 0.000 1.394 196 c CA -0.964 55.245 56.329 -0.200 0.000 1.291 196 c CB 0.533 42.906 42.510 -0.228 0.000 1.606 196 c HN 0.989 nan 8.230 nan 0.000 0.463 197 Y N -0.190 120.088 120.300 -0.036 0.000 2.588 197 Y HA 0.692 5.242 4.550 -0.000 0.000 0.247 197 Y C 0.359 176.266 175.900 0.011 0.000 1.157 197 Y CA -0.422 57.675 58.100 -0.006 0.000 1.215 197 Y CB -0.106 38.349 38.460 -0.009 0.000 1.245 197 Y HN 1.290 nan 8.280 nan 0.000 0.534 198 G N 0.544 109.298 108.800 -0.077 0.000 2.677 198 G HA2 0.415 4.375 3.960 -0.000 0.000 0.291 198 G HA3 0.415 4.375 3.960 -0.000 0.000 0.291 198 G C -2.761 172.046 174.900 -0.156 0.000 1.435 198 G CA -1.410 43.676 45.100 -0.023 0.000 0.826 198 G HN -0.257 nan 8.290 nan 0.000 0.491 199 P HA 0.089 nan 4.420 nan 0.000 0.249 199 P C -0.438 176.594 177.300 -0.447 0.000 1.229 199 P CA 0.310 63.187 63.100 -0.372 0.000 0.788 199 P CB 0.130 31.549 31.700 -0.468 0.000 1.072 200 Y N -0.921 119.343 120.300 -0.059 0.000 2.376 200 Y HA 0.105 4.655 4.550 -0.000 0.000 0.325 200 Y C 2.137 177.988 175.900 -0.083 0.000 1.199 200 Y CA -1.062 57.005 58.100 -0.054 0.000 1.206 200 Y CB 1.085 39.527 38.460 -0.029 0.000 1.229 200 Y HN -0.422 nan 8.280 nan 0.000 0.480 201 V N 0.150 120.136 119.914 0.121 0.000 2.546 201 V HA -0.298 3.822 4.120 -0.000 0.000 0.254 201 V C 1.697 177.794 176.094 0.005 0.000 1.076 201 V CA 2.265 64.583 62.300 0.030 0.000 1.087 201 V CB -0.944 30.898 31.823 0.032 0.000 0.674 201 V HN 0.901 nan 8.190 nan 0.000 0.470 202 S N -0.691 115.033 115.700 0.039 0.000 2.562 202 S HA -0.052 4.418 4.470 -0.000 0.000 0.221 202 S C 1.125 175.704 174.600 -0.035 0.000 0.975 202 S CA 0.650 58.861 58.200 0.018 0.000 0.918 202 S CB -0.183 63.041 63.200 0.040 0.000 0.772 202 S HN 0.610 nan 8.310 nan 0.000 0.531 203 D N 0.949 121.264 120.400 -0.141 0.000 2.349 203 D HA 0.212 4.852 4.640 -0.000 0.000 0.214 203 D C 0.197 176.079 176.300 -0.698 0.000 1.063 203 D CA -0.169 53.494 54.000 -0.562 0.000 0.847 203 D CB -0.239 40.274 40.800 -0.478 0.000 0.933 203 D HN 0.361 nan 8.370 nan 0.000 0.513 204 c N 1.390 119.799 118.600 -0.318 0.000 2.679 204 c HA 0.121 4.691 4.570 -0.000 0.000 0.417 204 c C 1.369 175.349 174.090 -0.184 0.000 1.302 204 c CA -0.866 55.326 56.329 -0.229 0.000 1.973 204 c CB -0.067 42.371 42.510 -0.120 0.000 2.715 204 c HN 0.334 nan 8.230 nan 0.000 0.628 205 c N 1.619 120.140 118.600 -0.131 0.000 2.443 205 c HA 0.298 4.868 4.570 -0.000 0.000 0.369 205 c C 0.691 174.792 174.090 0.019 0.000 1.241 205 c CA -0.254 56.053 56.329 -0.038 0.000 2.413 205 c CB -0.281 42.195 42.510 -0.057 0.000 2.451 205 c HN 0.964 nan 8.230 nan 0.000 0.595 206 H N 0.981 120.036 119.070 -0.026 0.000 2.871 206 H HA 0.106 4.662 4.556 -0.000 0.000 0.355 206 H C 1.635 176.956 175.328 -0.010 0.000 1.092 206 H CA 0.567 56.611 56.048 -0.007 0.000 1.420 206 H CB 0.711 30.477 29.762 0.006 0.000 1.400 206 H HN 0.659 nan 8.280 nan 0.000 0.604 207 R N 2.416 122.756 120.500 -0.267 0.000 2.152 207 R HA -0.094 4.246 4.340 -0.000 0.000 0.232 207 R C 0.760 177.081 176.300 0.035 0.000 1.117 207 R CA 1.487 57.519 56.100 -0.114 0.000 0.981 207 R CB 0.013 30.216 30.300 -0.162 0.000 0.870 207 R HN 0.533 nan 8.270 nan 0.000 0.451 208 E N 0.558 120.902 120.200 0.240 0.000 2.502 208 E HA 0.049 4.399 4.350 -0.000 0.000 0.194 208 E C -0.176 176.498 176.600 0.124 0.000 1.062 208 E CA 0.027 56.557 56.400 0.216 0.000 0.867 208 E CB 0.035 29.915 29.700 0.300 0.000 0.888 208 E HN 0.271 nan 8.360 nan 0.000 0.510 209 c N 1.476 120.143 118.600 0.112 0.000 2.435 209 c HA 0.628 5.198 4.570 -0.000 0.000 0.375 209 c C 0.832 174.932 174.090 0.017 0.000 1.281 209 c CA -0.706 55.648 56.329 0.042 0.000 1.963 209 c CB 0.204 42.722 42.510 0.014 0.000 2.490 209 c HN 0.296 nan 8.230 nan 0.000 0.557 210 A N 2.636 125.466 122.820 0.016 0.000 2.320 210 A HA 0.739 5.059 4.320 -0.000 0.000 0.334 210 A C 1.053 178.674 177.584 0.062 0.000 1.147 210 A CA 0.417 52.468 52.037 0.025 0.000 0.820 210 A CB 0.426 19.433 19.000 0.011 0.000 1.218 210 A HN 2.002 nan 8.150 nan 0.000 0.482 211 G N 0.041 108.891 108.800 0.083 0.000 2.674 211 G HA2 0.201 4.161 3.960 -0.000 0.000 0.236 211 G HA3 0.201 4.161 3.960 -0.000 0.000 0.236 211 G C 1.557 176.575 174.900 0.196 0.000 1.178 211 G CA 1.247 46.446 45.100 0.166 0.000 0.721 211 G HN 2.975 nan 8.290 nan 0.000 0.515 212 G N -2.275 106.516 108.800 -0.015 0.000 2.356 212 G HA2 0.586 4.546 3.960 -0.000 0.000 0.288 212 G HA3 0.586 4.546 3.960 -0.000 0.000 0.288 212 G C -0.209 174.072 174.900 -1.032 0.000 1.302 212 G CA 0.820 45.700 45.100 -0.367 0.000 0.887 212 G HN 2.362 nan 8.290 nan 0.000 0.521 213 c N -2.442 115.416 118.600 -1.237 0.000 3.320 213 c HA 0.897 5.467 4.570 -0.000 0.000 0.335 213 c C 1.164 174.932 174.090 -0.538 0.000 1.430 213 c CA 0.380 56.160 56.329 -0.916 0.000 1.271 213 c CB 1.176 43.534 42.510 -0.253 0.000 1.609 213 c HN 2.105 nan 8.230 nan 0.000 0.457 214 S N -0.471 115.107 115.700 -0.203 0.000 2.603 214 S HA 0.644 5.114 4.470 -0.000 0.000 0.232 214 S C 0.432 174.932 174.600 -0.167 0.000 1.016 214 S CA 0.444 58.566 58.200 -0.130 0.000 0.976 214 S CB 0.160 63.391 63.200 0.052 0.000 0.921 214 S HN 2.209 nan 8.310 nan 0.000 0.516 215 G N 1.667 110.469 108.800 0.003 0.000 2.554 215 G HA2 0.535 4.495 3.960 -0.000 0.000 0.306 215 G HA3 0.535 4.495 3.960 -0.000 0.000 0.306 215 G C -2.876 172.142 174.900 0.197 0.000 1.320 215 G CA -0.708 44.451 45.100 0.098 0.000 0.800 215 G HN -0.076 nan 8.290 nan 0.000 0.481 216 P HA 0.169 nan 4.420 nan 0.000 0.245 216 P C 0.277 177.649 177.300 0.119 0.000 1.203 216 P CA 0.355 63.535 63.100 0.132 0.000 0.792 216 P CB 0.592 32.359 31.700 0.113 0.000 0.997 217 K N 1.008 121.448 120.400 0.067 0.000 2.107 217 K HA 0.086 4.406 4.320 -0.000 0.000 0.251 217 K C 0.754 177.292 176.600 -0.104 0.000 1.012 217 K CA -0.100 56.189 56.287 0.003 0.000 0.920 217 K CB 0.356 32.851 32.500 -0.009 0.000 1.033 217 K HN -0.118 nan 8.250 nan 0.000 0.478 218 D N -0.784 119.412 120.400 -0.339 0.000 2.352 218 D HA -0.099 4.541 4.640 -0.000 0.000 0.232 218 D C 0.896 177.090 176.300 -0.176 0.000 1.055 218 D CA 0.463 54.184 54.000 -0.465 0.000 0.891 218 D CB -0.199 40.119 40.800 -0.803 0.000 0.897 218 D HN 0.565 nan 8.370 nan 0.000 0.529 219 T N -4.533 109.961 114.554 -0.099 0.000 3.054 219 T HA 0.089 4.439 4.350 -0.000 0.000 0.255 219 T C 0.594 175.291 174.700 -0.006 0.000 1.035 219 T CA -0.394 61.684 62.100 -0.036 0.000 0.941 219 T CB 0.129 68.984 68.868 -0.022 0.000 1.026 219 T HN -0.100 nan 8.240 nan 0.000 0.533 220 D N 1.123 121.516 120.400 -0.011 0.000 2.424 220 D HA 0.245 4.884 4.640 -0.000 0.000 0.220 220 D C 0.020 176.312 176.300 -0.014 0.000 1.150 220 D CA -0.268 53.737 54.000 0.007 0.000 0.831 220 D CB -0.082 40.723 40.800 0.008 0.000 0.981 220 D HN 0.427 nan 8.370 nan 0.000 0.500 221 c N 0.280 118.877 118.600 -0.005 0.000 2.605 221 c HA 0.222 4.792 4.570 -0.000 0.000 0.404 221 c C 2.130 176.293 174.090 0.122 0.000 1.284 221 c CA -0.618 55.702 56.329 -0.016 0.000 2.199 221 c CB -0.295 42.218 42.510 0.005 0.000 2.647 221 c HN 0.325 nan 8.230 nan 0.000 0.604 222 F N 1.185 121.151 119.950 0.027 0.000 2.206 222 F HA 0.145 4.672 4.527 -0.000 0.000 0.298 222 F C 1.471 177.271 175.800 0.001 0.000 1.090 222 F CA 0.696 58.705 58.000 0.015 0.000 1.323 222 F CB 0.090 39.101 39.000 0.018 0.000 1.028 222 F HN 0.743 nan 8.300 nan 0.000 0.492 223 A N -1.385 121.544 122.820 0.181 0.000 2.602 223 A HA 0.541 4.861 4.320 -0.000 0.000 0.290 223 A C -1.654 175.942 177.584 0.019 0.000 1.114 223 A CA -0.675 51.403 52.037 0.069 0.000 0.683 223 A CB 0.650 19.681 19.000 0.052 0.000 1.281 223 A HN 0.032 nan 8.150 nan 0.000 0.416 224 c N 1.550 120.126 118.600 -0.040 0.000 2.350 224 c HA 0.408 4.978 4.570 -0.000 0.000 0.348 224 c C 1.982 176.018 174.090 -0.090 0.000 1.260 224 c CA -0.555 55.739 56.329 -0.059 0.000 1.966 224 c CB 0.622 43.079 42.510 -0.088 0.000 2.380 224 c HN 0.860 nan 8.230 nan 0.000 0.535 225 M N 2.300 121.864 119.600 -0.061 0.000 2.132 225 M HA -0.069 4.411 4.480 -0.000 0.000 0.263 225 M C 1.521 177.718 176.300 -0.172 0.000 1.065 225 M CA 1.890 57.144 55.300 -0.077 0.000 1.122 225 M CB -0.616 31.968 32.600 -0.028 0.000 1.365 225 M HN 0.725 nan 8.290 nan 0.000 0.411 226 N N -1.612 116.957 118.700 -0.220 0.000 2.984 226 N HA 0.199 4.939 4.740 -0.000 0.000 0.235 226 N C -0.369 174.630 175.510 -0.851 0.000 1.025 226 N CA 0.368 53.112 53.050 -0.510 0.000 1.173 226 N CB 0.703 39.014 38.487 -0.292 0.000 1.615 226 N HN 0.104 nan 8.380 nan 0.000 0.560 227 F N 0.601 120.528 119.950 -0.038 0.000 2.588 227 F HA 0.389 4.916 4.527 -0.000 0.000 0.314 227 F C -0.060 175.705 175.800 -0.058 0.000 1.069 227 F CA -1.092 56.871 58.000 -0.062 0.000 0.931 227 F CB 1.435 40.428 39.000 -0.013 0.000 1.260 227 F HN -0.120 nan 8.300 nan 0.000 0.465 228 N N 1.629 120.396 118.700 0.111 0.000 2.437 228 N HA 0.165 4.905 4.740 -0.000 0.000 0.259 228 N C -1.827 173.779 175.510 0.160 0.000 0.983 228 N CA -0.277 52.822 53.050 0.081 0.000 0.937 228 N CB 1.002 39.493 38.487 0.008 0.000 1.122 228 N HN 0.597 nan 8.380 nan 0.000 0.499 229 D N 1.720 122.189 120.400 0.115 0.000 2.461 229 D HA 0.289 4.929 4.640 -0.000 0.000 0.240 229 D C -0.463 175.879 176.300 0.068 0.000 1.094 229 D CA -0.116 53.937 54.000 0.089 0.000 0.868 229 D CB 0.202 41.033 40.800 0.052 0.000 1.062 229 D HN 0.444 nan 8.370 nan 0.000 0.530 230 S N 2.680 118.429 115.700 0.082 0.000 3.521 230 S HA -0.142 4.328 4.470 -0.000 0.000 0.362 230 S C 1.293 175.926 174.600 0.055 0.000 1.044 230 S CA 1.199 59.436 58.200 0.062 0.000 1.091 230 S CB -1.408 61.813 63.200 0.035 0.000 0.908 230 S HN 1.121 nan 8.310 nan 0.000 0.473 231 G N -1.078 107.764 108.800 0.069 0.000 2.232 231 G HA2 0.053 4.013 3.960 -0.000 0.000 0.226 231 G HA3 0.053 4.013 3.960 -0.000 0.000 0.226 231 G C 0.020 174.937 174.900 0.029 0.000 0.996 231 G CA 0.143 45.275 45.100 0.052 0.000 0.626 231 G HN 1.861 nan 8.290 nan 0.000 0.509 232 A N -0.244 122.589 122.820 0.022 0.000 2.304 232 A HA 0.625 4.945 4.320 -0.000 0.000 0.323 232 A C 0.437 178.025 177.584 0.005 0.000 1.195 232 A CA 0.127 52.159 52.037 -0.008 0.000 0.826 232 A CB 0.887 19.875 19.000 -0.020 0.000 1.184 232 A HN 0.966 nan 8.150 nan 0.000 0.496 233 c N 3.613 122.200 118.600 -0.021 0.000 2.520 233 c HA 0.457 5.027 4.570 -0.000 0.000 0.369 233 c C 0.903 175.019 174.090 0.043 0.000 1.244 233 c CA -0.355 55.980 56.329 0.010 0.000 1.677 233 c CB -1.810 40.700 42.510 0.001 0.000 2.324 233 c HN 0.688 nan 8.230 nan 0.000 0.557 234 V N 2.531 122.505 119.914 0.099 0.000 3.096 234 V HA 0.586 4.706 4.120 -0.000 0.000 0.319 234 V C 0.668 176.881 176.094 0.199 0.000 1.103 234 V CA -0.368 62.015 62.300 0.138 0.000 1.016 234 V CB 1.229 33.122 31.823 0.117 0.000 1.090 234 V HN 0.652 nan 8.190 nan 0.000 0.449 235 T N 1.245 115.917 114.554 0.197 0.000 2.985 235 T HA 0.092 4.442 4.350 -0.000 0.000 0.266 235 T C 0.456 175.351 174.700 0.325 0.000 1.076 235 T CA 1.594 63.822 62.100 0.214 0.000 1.135 235 T CB -0.421 68.547 68.868 0.167 0.000 0.890 235 T HN 0.979 nan 8.240 nan 0.000 0.480 236 Q N -1.042 118.904 119.800 0.244 0.000 2.527 236 Q HA 0.462 4.802 4.340 -0.000 0.000 0.280 236 Q C -1.438 174.536 176.000 -0.042 0.000 0.977 236 Q CA -1.004 54.861 55.803 0.104 0.000 0.837 236 Q CB 0.492 29.270 28.738 0.068 0.000 1.454 236 Q HN 0.095 nan 8.270 nan 0.000 0.387 237 c N 1.504 119.958 118.600 -0.245 0.000 2.649 237 c HA 0.392 4.962 4.570 -0.000 0.000 0.377 237 c C -1.898 172.097 174.090 -0.158 0.000 1.321 237 c CA -0.527 55.678 56.329 -0.207 0.000 2.368 237 c CB -0.742 41.583 42.510 -0.308 0.000 2.597 237 c HN 0.659 nan 8.230 nan 0.000 0.678 238 P HA 0.058 nan 4.420 nan 0.000 0.261 238 P C -0.364 176.820 177.300 -0.193 0.000 1.183 238 P CA 0.587 63.594 63.100 -0.154 0.000 0.761 238 P CB 0.230 31.833 31.700 -0.162 0.000 0.785 239 Q N 1.050 120.764 119.800 -0.142 0.000 2.432 239 Q HA 0.011 4.351 4.340 -0.000 0.000 0.264 239 Q C 1.453 177.309 176.000 -0.240 0.000 1.035 239 Q CA 0.672 56.395 55.803 -0.132 0.000 0.908 239 Q CB 0.266 28.980 28.738 -0.040 0.000 1.280 239 Q HN 0.536 nan 8.270 nan 0.000 0.455 240 T N -1.197 113.195 114.554 -0.269 0.000 2.951 240 T HA -0.009 4.341 4.350 -0.000 0.000 0.268 240 T C 0.213 174.401 174.700 -0.854 0.000 1.073 240 T CA 0.911 62.673 62.100 -0.563 0.000 1.134 240 T CB 0.065 68.632 68.868 -0.501 0.000 0.884 240 T HN 0.324 nan 8.240 nan 0.000 0.479 241 F N 0.336 120.177 119.950 -0.181 0.000 2.532 241 F HA 0.689 5.216 4.527 -0.000 0.000 0.321 241 F C -0.532 175.210 175.800 -0.097 0.000 1.089 241 F CA -1.319 56.592 58.000 -0.149 0.000 0.926 241 F CB 2.283 41.244 39.000 -0.066 0.000 1.168 241 F HN -0.228 nan 8.300 nan 0.000 0.459 242 V N 1.962 121.946 119.914 0.117 0.000 2.876 242 V HA 0.244 4.364 4.120 -0.000 0.000 0.312 242 V C -1.305 174.860 176.094 0.117 0.000 1.085 242 V CA -1.160 61.189 62.300 0.082 0.000 0.945 242 V CB 2.292 34.117 31.823 0.004 0.000 1.017 242 V HN 0.595 nan 8.190 nan 0.000 0.428 243 Y N 4.029 124.338 120.300 0.014 0.000 2.436 243 Y HA 0.273 4.823 4.550 -0.000 0.000 0.336 243 Y C 0.546 176.437 175.900 -0.016 0.000 1.049 243 Y CA 0.123 58.224 58.100 0.002 0.000 1.294 243 Y CB 0.485 38.939 38.460 -0.010 0.000 1.179 243 Y HN 0.689 nan 8.280 nan 0.000 0.520 244 N N 8.678 127.053 118.700 -0.543 0.000 2.462 244 N HA 0.222 4.962 4.740 -0.000 0.000 0.242 244 N C -2.211 172.894 175.510 -0.675 0.000 1.010 244 N CA -2.152 50.650 53.050 -0.413 0.000 0.939 244 N CB 1.657 40.002 38.487 -0.236 0.000 1.127 244 N HN 0.424 nan 8.380 nan 0.000 0.509 245 P HA -0.071 nan 4.420 nan 0.000 0.220 245 P C 0.760 177.683 177.300 -0.627 0.000 1.144 245 P CA 1.334 64.202 63.100 -0.387 0.000 0.800 245 P CB 0.423 32.055 31.700 -0.114 0.000 0.772 246 T N -2.192 112.102 114.554 -0.435 0.000 2.978 246 T HA -0.052 4.298 4.350 -0.000 0.000 0.262 246 T C 1.546 176.077 174.700 -0.281 0.000 1.063 246 T CA 1.821 63.726 62.100 -0.326 0.000 1.140 246 T CB -0.686 68.100 68.868 -0.135 0.000 0.886 246 T HN 0.278 nan 8.240 nan 0.000 0.470 247 T N -0.680 113.718 114.554 -0.261 0.000 3.092 247 T HA 0.261 4.611 4.350 -0.000 0.000 0.258 247 T C 0.588 175.347 174.700 0.097 0.000 1.031 247 T CA -0.530 61.566 62.100 -0.007 0.000 0.925 247 T CB -0.870 67.986 68.868 -0.020 0.000 1.036 247 T HN 0.269 nan 8.240 nan 0.000 0.544 248 F N 2.060 121.886 119.950 -0.207 0.000 3.048 248 F HA -0.237 4.290 4.527 -0.000 0.000 0.269 248 F C 0.462 176.167 175.800 -0.158 0.000 0.960 248 F CA 0.911 58.816 58.000 -0.158 0.000 0.909 248 F CB -2.384 36.624 39.000 0.013 0.000 0.837 248 F HN 0.677 nan 8.300 nan 0.000 0.768 249 Q N -1.760 117.864 119.800 -0.293 0.000 2.685 249 Q HA 0.706 5.046 4.340 -0.000 0.000 0.301 249 Q C -1.154 174.752 176.000 -0.156 0.000 0.924 249 Q CA -1.436 54.310 55.803 -0.095 0.000 0.755 249 Q CB 1.685 30.421 28.738 -0.003 0.000 1.470 249 Q HN 0.211 nan 8.270 nan 0.000 0.434 250 L N 1.694 122.917 121.223 -0.000 0.000 2.367 250 L HA 0.374 4.714 4.340 -0.000 0.000 0.275 250 L C -0.171 176.732 176.870 0.054 0.000 1.129 250 L CA -0.178 54.684 54.840 0.036 0.000 0.839 250 L CB 0.509 42.563 42.059 -0.007 0.000 1.133 250 L HN 0.555 nan 8.230 nan 0.000 0.453 251 E N 1.145 121.417 120.200 0.120 0.000 2.312 251 E HA 0.217 4.566 4.350 -0.000 0.000 0.267 251 E C -1.012 175.706 176.600 0.196 0.000 0.894 251 E CA -1.095 55.404 56.400 0.165 0.000 0.773 251 E CB 1.729 31.482 29.700 0.089 0.000 1.241 251 E HN 0.400 nan 8.360 nan 0.000 0.432 252 H N 1.744 120.824 119.070 0.017 0.000 3.157 252 H HA -0.064 4.492 4.556 -0.000 0.000 0.299 252 H C 0.010 174.888 175.328 -0.751 0.000 0.961 252 H CA 0.527 56.314 56.048 -0.436 0.000 1.428 252 H CB 0.114 29.537 29.762 -0.566 0.000 1.459 252 H HN 0.193 nan 8.280 nan 0.000 0.566 253 N N 4.474 122.608 118.700 -0.943 0.000 2.420 253 N HA -0.026 4.714 4.740 -0.000 0.000 0.262 253 N C -0.407 174.695 175.510 -0.681 0.000 1.144 253 N CA 0.014 52.691 53.050 -0.621 0.000 0.952 253 N CB 0.007 38.240 38.487 -0.423 0.000 1.081 253 N HN 0.543 nan 8.380 nan 0.000 0.480 254 F N 1.476 121.358 119.950 -0.113 0.000 2.731 254 F HA 0.249 4.776 4.527 -0.000 0.000 0.304 254 F C 0.988 176.747 175.800 -0.068 0.000 1.133 254 F CA -0.134 57.844 58.000 -0.037 0.000 1.380 254 F CB 0.162 39.179 39.000 0.028 0.000 1.079 254 F HN 0.452 nan 8.300 nan 0.000 0.550 255 N N 0.436 119.123 118.700 -0.023 0.000 2.299 255 N HA 0.240 4.980 4.740 -0.000 0.000 0.246 255 N C 0.148 175.562 175.510 -0.160 0.000 1.254 255 N CA 0.066 53.084 53.050 -0.053 0.000 0.879 255 N CB 0.660 39.127 38.487 -0.033 0.000 1.214 255 N HN 0.043 nan 8.380 nan 0.000 0.510 256 A N 0.978 123.644 122.820 -0.257 0.000 2.407 256 A HA 0.417 4.737 4.320 -0.000 0.000 0.248 256 A C 0.396 177.659 177.584 -0.535 0.000 1.082 256 A CA 0.347 52.140 52.037 -0.405 0.000 0.785 256 A CB 0.771 19.459 19.000 -0.520 0.000 1.020 256 A HN 0.103 nan 8.150 nan 0.000 0.489 257 K N 0.005 120.021 120.400 -0.641 0.000 2.444 257 K HA 0.580 4.900 4.320 -0.000 0.000 0.252 257 K C -1.742 174.328 176.600 -0.885 0.000 0.993 257 K CA -0.466 55.396 56.287 -0.707 0.000 0.847 257 K CB 1.935 34.252 32.500 -0.306 0.000 1.340 257 K HN 0.685 nan 8.250 nan 0.000 0.446 258 Y N -0.440 119.823 120.300 -0.062 0.000 2.549 258 Y HA 0.278 4.828 4.550 -0.000 0.000 0.339 258 Y C 0.632 176.506 175.900 -0.044 0.000 1.053 258 Y CA -1.137 56.928 58.100 -0.058 0.000 1.105 258 Y CB 1.584 40.031 38.460 -0.022 0.000 1.258 258 Y HN 0.533 nan 8.280 nan 0.000 0.478 259 T N -0.863 113.737 114.554 0.076 0.000 2.869 259 T HA 0.344 4.694 4.350 -0.000 0.000 0.295 259 T C -1.294 173.560 174.700 0.256 0.000 0.987 259 T CA -0.287 61.839 62.100 0.043 0.000 1.109 259 T CB 0.373 69.192 68.868 -0.082 0.000 0.932 259 T HN 0.616 nan 8.240 nan 0.000 0.518 260 Y N 2.923 123.319 120.300 0.161 0.000 2.359 260 Y HA 0.502 5.052 4.550 -0.000 0.000 0.336 260 Y C 0.590 176.657 175.900 0.278 0.000 1.098 260 Y CA -0.079 58.089 58.100 0.113 0.000 1.272 260 Y CB 0.721 39.170 38.460 -0.018 0.000 1.112 260 Y HN 1.313 nan 8.280 nan 0.000 0.481 261 G N 3.478 112.206 108.800 -0.120 0.000 2.596 261 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.304 261 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.304 261 G C 0.632 175.580 174.900 0.080 0.000 1.189 261 G CA 0.444 45.490 45.100 -0.090 0.000 0.986 261 G HN 1.611 nan 8.290 nan 0.000 0.548 262 A N -0.262 122.498 122.820 -0.100 0.000 2.545 262 A HA 0.730 5.050 4.320 -0.000 0.000 0.277 262 A C 0.099 177.526 177.584 -0.262 0.000 1.301 262 A CA 0.238 52.108 52.037 -0.278 0.000 0.935 262 A CB -0.141 18.558 19.000 -0.501 0.000 1.093 262 A HN 0.676 nan 8.150 nan 0.000 0.519 263 F N -2.155 117.947 119.950 0.253 0.000 2.575 263 F HA 0.540 5.067 4.527 -0.000 0.000 0.330 263 F C 0.153 176.073 175.800 0.200 0.000 1.056 263 F CA -1.414 56.719 58.000 0.223 0.000 0.964 263 F CB 1.177 40.278 39.000 0.168 0.000 1.258 263 F HN -0.113 nan 8.300 nan 0.000 0.484 264 c N 2.636 121.425 118.600 0.315 0.000 2.293 264 c HA 0.733 5.303 4.570 -0.000 0.000 0.323 264 c C -0.136 174.021 174.090 0.112 0.000 1.240 264 c CA -0.914 55.480 56.329 0.108 0.000 1.497 264 c CB 0.020 42.541 42.510 0.018 0.000 2.171 264 c HN 0.614 nan 8.230 nan 0.000 0.465 265 V N 2.468 122.439 119.914 0.095 0.000 2.769 265 V HA 0.601 4.721 4.120 -0.000 0.000 0.312 265 V C 0.401 176.522 176.094 0.045 0.000 1.058 265 V CA -0.653 61.690 62.300 0.072 0.000 0.952 265 V CB 1.627 33.490 31.823 0.068 0.000 1.019 265 V HN 0.811 nan 8.190 nan 0.000 0.445 266 K N 1.026 121.450 120.400 0.040 0.000 2.067 266 K HA 0.224 4.544 4.320 -0.000 0.000 0.203 266 K C 0.232 176.940 176.600 0.180 0.000 1.048 266 K CA 0.969 57.288 56.287 0.052 0.000 0.954 266 K CB 0.056 32.573 32.500 0.029 0.000 0.737 266 K HN 0.637 nan 8.250 nan 0.000 0.444 267 K N 0.712 121.172 120.400 0.101 0.000 2.270 267 K HA 0.323 4.643 4.320 -0.000 0.000 0.255 267 K C -0.918 175.676 176.600 -0.011 0.000 0.936 267 K CA -0.790 55.534 56.287 0.061 0.000 0.809 267 K CB 2.199 34.705 32.500 0.010 0.000 1.131 267 K HN -0.024 nan 8.250 nan 0.000 0.427 268 c N 3.223 121.792 118.600 -0.051 0.000 2.652 268 c HA 0.200 4.770 4.570 -0.000 0.000 0.412 268 c C -1.591 172.384 174.090 -0.192 0.000 1.294 268 c CA -0.986 55.255 56.329 -0.146 0.000 2.127 268 c CB -0.682 41.776 42.510 -0.087 0.000 2.691 268 c HN 0.638 nan 8.230 nan 0.000 0.615 269 P HA 0.009 nan 4.420 nan 0.000 0.270 269 P C 0.034 177.360 177.300 0.043 0.000 1.227 269 P CA 0.106 63.033 63.100 -0.288 0.000 0.788 269 P CB 0.221 31.491 31.700 -0.717 0.000 0.926 270 H N 2.914 121.998 119.070 0.023 0.000 2.897 270 H HA -0.008 4.548 4.556 -0.000 0.000 0.347 270 H C 0.762 176.174 175.328 0.140 0.000 1.068 270 H CA 0.992 57.075 56.048 0.058 0.000 1.426 270 H CB -0.148 29.628 29.762 0.023 0.000 1.410 270 H HN 0.450 nan 8.280 nan 0.000 0.597 271 N N 2.337 121.175 118.700 0.229 0.000 2.776 271 N HA -0.246 4.494 4.740 -0.000 0.000 0.250 271 N C -1.210 174.184 175.510 -0.194 0.000 1.112 271 N CA 0.914 54.005 53.050 0.068 0.000 0.733 271 N CB -1.515 37.017 38.487 0.075 0.000 1.097 271 N HN 0.335 nan 8.380 nan 0.000 0.558 272 F N -0.325 119.594 119.950 -0.052 0.000 2.569 272 F HA 0.575 5.102 4.527 -0.000 0.000 0.312 272 F C 0.326 176.068 175.800 -0.098 0.000 1.109 272 F CA -0.718 57.243 58.000 -0.064 0.000 0.919 272 F CB 1.880 40.815 39.000 -0.109 0.000 1.211 272 F HN -0.296 nan 8.300 nan 0.000 0.446 273 V N 3.006 122.963 119.914 0.072 0.000 2.919 273 V HA 0.482 4.602 4.120 -0.000 0.000 0.316 273 V C -0.674 175.404 176.094 -0.027 0.000 1.077 273 V CA -1.059 61.233 62.300 -0.013 0.000 0.977 273 V CB 2.191 33.990 31.823 -0.039 0.000 1.039 273 V HN 0.420 nan 8.190 nan 0.000 0.441 274 V N 2.343 122.172 119.914 -0.142 0.000 2.389 274 V HA 0.248 4.368 4.120 -0.000 0.000 0.264 274 V C -0.323 175.697 176.094 -0.122 0.000 1.049 274 V CA 0.008 62.156 62.300 -0.252 0.000 0.932 274 V CB 1.039 32.519 31.823 -0.572 0.000 1.011 274 V HN 0.929 nan 8.190 nan 0.000 0.475 275 D N 3.930 124.308 120.400 -0.037 0.000 2.460 275 D HA 0.494 5.134 4.640 -0.000 0.000 0.232 275 D C 0.642 176.968 176.300 0.043 0.000 1.079 275 D CA 0.464 54.471 54.000 0.010 0.000 0.864 275 D CB 1.188 42.011 40.800 0.038 0.000 1.048 275 D HN 0.530 nan 8.370 nan 0.000 0.523 276 S N 2.277 118.006 115.700 0.048 0.000 4.159 276 S HA -0.260 4.210 4.470 -0.000 0.000 0.482 276 S C 0.758 175.437 174.600 0.132 0.000 1.865 276 S CA 1.491 59.746 58.200 0.092 0.000 4.249 276 S CB -1.432 61.825 63.200 0.094 0.000 0.208 276 S HN 0.902 nan 8.310 nan 0.000 0.454 277 S N 0.468 116.261 115.700 0.154 0.000 3.025 277 S HA 0.602 5.072 4.470 -0.000 0.000 0.251 277 S C -0.562 174.184 174.600 0.244 0.000 0.954 277 S CA 0.540 58.894 58.200 0.257 0.000 1.092 277 S CB 0.801 64.063 63.200 0.103 0.000 1.079 277 S HN 1.389 nan 8.310 nan 0.000 0.543 278 S N -0.139 115.675 115.700 0.191 0.000 2.541 278 S HA 0.658 5.128 4.470 -0.000 0.000 0.271 278 S C -0.452 174.240 174.600 0.154 0.000 1.133 278 S CA -0.829 57.477 58.200 0.177 0.000 0.876 278 S CB 0.628 63.915 63.200 0.145 0.000 1.105 278 S HN 0.353 nan 8.310 nan 0.000 0.470 279 c N 2.683 121.405 118.600 0.204 0.000 2.499 279 c HA 0.778 5.348 4.570 -0.000 0.000 0.386 279 c C 0.425 174.770 174.090 0.426 0.000 1.293 279 c CA -0.234 56.236 56.329 0.235 0.000 1.884 279 c CB -0.702 41.883 42.510 0.124 0.000 2.509 279 c HN 0.712 nan 8.230 nan 0.000 0.566 280 V N 4.218 124.384 119.914 0.420 0.000 3.102 280 V HA 0.456 4.576 4.120 -0.000 0.000 0.312 280 V C 0.724 176.856 176.094 0.063 0.000 1.135 280 V CA -0.831 61.670 62.300 0.334 0.000 1.022 280 V CB 1.844 33.758 31.823 0.153 0.000 1.056 280 V HN 0.828 nan 8.190 nan 0.000 0.436 281 R N 0.749 121.134 120.500 -0.193 0.000 2.062 281 R HA 0.388 4.728 4.340 -0.000 0.000 0.229 281 R C 0.532 176.705 176.300 -0.213 0.000 1.128 281 R CA 1.442 57.268 56.100 -0.455 0.000 0.960 281 R CB 0.053 30.136 30.300 -0.362 0.000 0.855 281 R HN 0.840 nan 8.270 nan 0.000 0.432 282 A N -0.457 122.303 122.820 -0.100 0.000 2.475 282 A HA 0.444 4.764 4.320 -0.000 0.000 0.301 282 A C -0.646 176.925 177.584 -0.022 0.000 1.059 282 A CA -0.863 51.139 52.037 -0.060 0.000 0.710 282 A CB 1.119 20.088 19.000 -0.051 0.000 1.288 282 A HN 0.238 nan 8.150 nan 0.000 0.408 283 c N 2.110 120.699 118.600 -0.018 0.000 2.700 283 c HA 0.380 4.950 4.570 -0.000 0.000 0.397 283 c C -1.160 172.933 174.090 0.004 0.000 1.301 283 c CA -0.152 56.175 56.329 -0.003 0.000 2.219 283 c CB -0.558 41.949 42.510 -0.005 0.000 2.699 283 c HN 0.780 nan 8.230 nan 0.000 0.669 284 P HA 0.025 nan 4.420 nan 0.000 0.293 284 P C 0.913 178.220 177.300 0.011 0.000 1.285 284 P CA 0.029 63.138 63.100 0.016 0.000 0.775 284 P CB 0.226 31.940 31.700 0.023 0.000 1.351 285 S N -0.732 114.975 115.700 0.012 0.000 2.362 285 S HA -0.088 4.382 4.470 -0.000 0.000 0.221 285 S C 1.583 176.188 174.600 0.008 0.000 1.032 285 S CA 1.423 59.629 58.200 0.008 0.000 0.973 285 S CB -1.122 62.083 63.200 0.008 0.000 0.849 285 S HN 0.485 nan 8.310 nan 0.000 0.465 286 S N 0.658 116.364 115.700 0.011 0.000 2.743 286 S HA 0.387 4.857 4.470 -0.000 0.000 0.230 286 S C 0.085 174.692 174.600 0.013 0.000 0.950 286 S CA -0.584 57.623 58.200 0.011 0.000 0.976 286 S CB -0.263 62.944 63.200 0.012 0.000 0.779 286 S HN 0.415 nan 8.310 nan 0.000 0.487 287 K N 1.134 121.541 120.400 0.011 0.000 2.444 287 K HA 0.654 4.974 4.320 -0.000 0.000 0.252 287 K C -0.741 175.863 176.600 0.006 0.000 0.993 287 K CA -0.848 55.446 56.287 0.011 0.000 0.847 287 K CB 2.068 34.577 32.500 0.014 0.000 1.340 287 K HN 0.402 nan 8.250 nan 0.000 0.446 288 M N -0.646 118.957 119.600 0.005 0.000 2.393 288 M HA 0.456 4.936 4.480 -0.000 0.000 0.299 288 M C -0.859 175.439 176.300 -0.004 0.000 1.103 288 M CA -0.778 54.523 55.300 0.001 0.000 0.910 288 M CB 2.086 34.688 32.600 0.004 0.000 1.659 288 M HN 0.350 nan 8.290 nan 0.000 0.445 289 E N 1.936 122.129 120.200 -0.011 0.000 2.417 289 E HA 0.258 4.608 4.350 -0.000 0.000 0.261 289 E C -0.938 175.653 176.600 -0.016 0.000 1.000 289 E CA -0.039 56.350 56.400 -0.018 0.000 0.919 289 E CB 1.266 30.951 29.700 -0.025 0.000 0.955 289 E HN 0.507 nan 8.360 nan 0.000 0.455 290 V N 4.048 123.951 119.914 -0.019 0.000 2.380 290 V HA 0.050 4.170 4.120 -0.000 0.000 0.268 290 V C -0.064 176.017 176.094 -0.023 0.000 1.008 290 V CA -0.546 61.745 62.300 -0.016 0.000 0.823 290 V CB 1.062 32.880 31.823 -0.008 0.000 1.053 290 V HN 0.644 nan 8.190 nan 0.000 0.446 291 E N 3.629 123.815 120.200 -0.025 0.000 2.081 291 E HA 0.117 4.467 4.350 -0.000 0.000 0.270 291 E C 0.570 177.157 176.600 -0.021 0.000 1.180 291 E CA 0.033 56.416 56.400 -0.029 0.000 0.926 291 E CB 0.658 30.339 29.700 -0.031 0.000 1.035 291 E HN 0.744 nan 8.360 nan 0.000 0.418 292 E N 3.402 123.589 120.200 -0.021 0.000 2.110 292 E HA -0.019 4.330 4.350 -0.000 0.000 0.220 292 E C 0.421 177.014 176.600 -0.012 0.000 0.893 292 E CA 0.021 56.412 56.400 -0.015 0.000 1.027 292 E CB 0.034 29.723 29.700 -0.017 0.000 1.017 292 E HN 0.452 nan 8.360 nan 0.000 0.522 293 N N 0.500 119.195 118.700 -0.009 0.000 2.623 293 N HA 0.072 4.812 4.740 -0.000 0.000 0.263 293 N C 0.097 175.602 175.510 -0.007 0.000 1.218 293 N CA 0.633 53.681 53.050 -0.003 0.000 0.949 293 N CB 0.972 39.463 38.487 0.008 0.000 1.270 293 N HN 0.528 nan 8.380 nan 0.000 0.507 294 G N 0.739 109.529 108.800 -0.016 0.000 2.143 294 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.249 294 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.249 294 G C 0.162 175.042 174.900 -0.034 0.000 0.981 294 G CA -0.300 44.785 45.100 -0.025 0.000 0.665 294 G HN 0.440 nan 8.290 nan 0.000 0.528 295 I N 1.396 121.948 120.570 -0.030 0.000 2.318 295 I HA 0.210 4.380 4.170 -0.000 0.000 0.285 295 I C 0.689 176.767 176.117 -0.065 0.000 1.127 295 I CA -0.522 60.752 61.300 -0.043 0.000 1.243 295 I CB 0.482 38.471 38.000 -0.019 0.000 1.498 295 I HN -0.023 nan 8.210 nan 0.000 0.535 296 K N 7.623 127.977 120.400 -0.076 0.000 2.402 296 K HA 0.175 4.495 4.320 -0.000 0.000 0.279 296 K C -0.007 176.535 176.600 -0.096 0.000 1.082 296 K CA 0.534 56.775 56.287 -0.076 0.000 1.080 296 K CB 0.275 32.728 32.500 -0.078 0.000 0.899 296 K HN 0.620 nan 8.250 nan 0.000 0.469 297 M N -0.176 119.378 119.600 -0.076 0.000 2.745 297 M HA 0.504 4.984 4.480 -0.000 0.000 0.290 297 M C -1.166 175.108 176.300 -0.043 0.000 1.262 297 M CA -1.022 54.230 55.300 -0.080 0.000 0.795 297 M CB 1.660 34.212 32.600 -0.079 0.000 1.758 297 M HN 0.264 nan 8.290 nan 0.000 0.461 298 c N 2.157 120.740 118.600 -0.028 0.000 2.291 298 c HA 0.640 5.210 4.570 -0.000 0.000 0.322 298 c C -0.322 173.773 174.090 0.009 0.000 1.205 298 c CA -0.872 55.453 56.329 -0.007 0.000 1.495 298 c CB 0.220 42.730 42.510 0.000 0.000 2.127 298 c HN 0.551 nan 8.230 nan 0.000 0.452 299 K N 3.307 123.713 120.400 0.010 0.000 2.159 299 K HA 0.466 4.786 4.320 -0.000 0.000 0.266 299 K C -2.628 173.984 176.600 0.020 0.000 0.975 299 K CA -2.263 54.036 56.287 0.020 0.000 0.865 299 K CB 1.149 33.660 32.500 0.018 0.000 1.087 299 K HN 0.275 nan 8.250 nan 0.000 0.446 300 P HA 0.092 nan 4.420 nan 0.000 0.269 300 P C -0.547 176.764 177.300 0.018 0.000 1.209 300 P CA -0.252 62.861 63.100 0.022 0.000 0.776 300 P CB 0.492 32.207 31.700 0.026 0.000 0.876 301 c N 2.425 121.034 118.600 0.015 0.000 2.369 301 c HA 0.187 4.757 4.570 -0.000 0.000 0.358 301 c C 2.154 176.252 174.090 0.012 0.000 1.274 301 c CA -0.043 56.294 56.329 0.013 0.000 1.935 301 c CB 0.201 42.719 42.510 0.012 0.000 2.431 301 c HN 0.662 nan 8.230 nan 0.000 0.545 302 T N 1.380 115.941 114.554 0.012 0.000 2.529 302 T HA -0.160 4.190 4.350 -0.000 0.000 0.261 302 T C 1.103 175.807 174.700 0.007 0.000 1.110 302 T CA 1.615 63.720 62.100 0.009 0.000 1.192 302 T CB -0.059 68.814 68.868 0.009 0.000 0.864 302 T HN 0.752 nan 8.240 nan 0.000 0.407 303 D N -0.150 120.255 120.400 0.009 0.000 2.910 303 D HA 0.311 4.951 4.640 -0.000 0.000 0.241 303 D C 0.563 176.869 176.300 0.010 0.000 1.346 303 D CA -0.254 53.751 54.000 0.008 0.000 1.227 303 D CB 0.130 40.934 40.800 0.008 0.000 0.926 303 D HN 0.152 nan 8.370 nan 0.000 0.212 304 I N 1.849 122.426 120.570 0.012 0.000 2.496 304 I HA 0.053 4.223 4.170 -0.000 0.000 0.285 304 I C 0.468 176.594 176.117 0.016 0.000 1.080 304 I CA -0.453 60.855 61.300 0.013 0.000 1.404 304 I CB 0.995 39.005 38.000 0.017 0.000 1.403 304 I HN 0.164 nan 8.210 nan 0.000 0.539 305 c N 7.005 125.613 118.600 0.013 0.000 2.703 305 c HA 0.147 4.717 4.570 -0.000 0.000 0.411 305 c C -1.438 172.662 174.090 0.018 0.000 1.290 305 c CA -0.616 55.722 56.329 0.014 0.000 2.054 305 c CB -0.780 41.736 42.510 0.010 0.000 2.732 305 c HN 0.553 nan 8.230 nan 0.000 0.650 306 P HA 0.193 nan 4.420 nan 0.000 0.272 306 P C -0.740 176.574 177.300 0.024 0.000 1.248 306 P CA 0.071 63.185 63.100 0.024 0.000 0.799 306 P CB 0.295 32.008 31.700 0.020 0.000 0.997 307 K N -0.333 120.086 120.400 0.031 0.000 2.244 307 K HA 0.436 4.756 4.320 -0.000 0.000 0.376 307 K C -1.629 174.998 176.600 0.046 0.000 1.563 307 K CA -0.326 55.980 56.287 0.031 0.000 1.147 307 K CB -0.066 32.451 32.500 0.029 0.000 1.404 307 K HN 0.482 nan 8.250 nan 0.000 0.479 308 A N 2.967 125.810 122.820 0.038 0.000 2.409 308 A HA 0.560 4.880 4.320 -0.000 0.000 0.262 308 A C -0.261 177.353 177.584 0.051 0.000 1.113 308 A CA -0.184 51.882 52.037 0.048 0.000 0.790 308 A CB 0.174 19.194 19.000 0.033 0.000 1.046 308 A HN 0.720 nan 8.150 nan 0.000 0.496 309 c N 1.263 119.912 118.600 0.082 0.000 2.779 309 c HA 0.530 5.100 4.570 -0.000 0.000 0.314 309 c C -0.418 173.731 174.090 0.098 0.000 1.231 309 c CA -0.931 55.446 56.329 0.080 0.000 1.652 309 c CB 1.753 44.342 42.510 0.131 0.000 2.198 309 c HN 0.857 nan 8.230 nan 0.000 0.483 310 D N 0.961 121.393 120.400 0.053 0.000 2.345 310 D HA 0.412 5.052 4.640 -0.000 0.000 0.247 310 D C 0.458 176.864 176.300 0.176 0.000 1.108 310 D CA 0.498 54.536 54.000 0.063 0.000 0.894 310 D CB 1.213 42.017 40.800 0.006 0.000 1.203 310 D HN 0.758 nan 8.370 nan 0.000 0.430 311 G N 0.778 109.665 108.800 0.145 0.000 2.525 311 G HA2 0.338 4.298 3.960 -0.000 0.000 0.287 311 G HA3 0.338 4.298 3.960 -0.000 0.000 0.287 311 G C 0.160 175.143 174.900 0.138 0.000 1.350 311 G CA -0.593 44.617 45.100 0.183 0.000 1.039 311 G HN 0.380 nan 8.290 nan 0.000 0.513 312 I N 1.201 121.812 120.570 0.069 0.000 2.517 312 I HA 0.293 4.463 4.170 -0.000 0.000 0.285 312 I C 1.430 177.536 176.117 -0.019 0.000 1.106 312 I CA 1.374 62.695 61.300 0.035 0.000 1.402 312 I CB -0.110 37.868 38.000 -0.037 0.000 1.399 312 I HN 1.003 nan 8.210 nan 0.000 0.535 313 G N 4.386 113.192 108.800 0.009 0.000 2.134 313 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.209 313 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.209 313 G C 0.269 175.169 174.900 -0.001 0.000 0.993 313 G CA -0.147 44.955 45.100 0.003 0.000 0.669 313 G HN 0.596 nan 8.290 nan 0.000 0.519 314 T N -0.484 114.072 114.554 0.004 0.000 2.893 314 T HA 0.697 5.047 4.350 -0.000 0.000 0.293 314 T C 1.374 176.075 174.700 0.002 0.000 1.027 314 T CA 0.766 62.868 62.100 0.002 0.000 0.988 314 T CB 1.609 70.478 68.868 0.002 0.000 1.043 314 T HN 1.771 nan 8.240 nan 0.000 0.461 315 G N 2.907 111.706 108.800 -0.002 0.000 2.700 315 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.350 315 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.350 315 G C 1.564 176.456 174.900 -0.014 0.000 1.250 315 G CA 1.521 46.617 45.100 -0.008 0.000 0.978 315 G HN 1.459 nan 8.290 nan 0.000 0.551 316 S N -0.089 115.596 115.700 -0.026 0.000 2.488 316 S HA 0.086 4.556 4.470 -0.000 0.000 0.246 316 S C 1.709 176.287 174.600 -0.036 0.000 0.992 316 S CA 1.907 60.085 58.200 -0.037 0.000 0.963 316 S CB -0.110 63.053 63.200 -0.060 0.000 0.754 316 S HN 0.756 nan 8.310 nan 0.000 0.519 317 L N -0.155 121.055 121.223 -0.023 0.000 3.267 317 L HA 0.443 4.783 4.340 -0.000 0.000 0.289 317 L C 1.591 178.468 176.870 0.011 0.000 1.260 317 L CA -0.088 54.749 54.840 -0.006 0.000 1.034 317 L CB -0.027 42.035 42.059 0.006 0.000 1.413 317 L HN 0.252 nan 8.230 nan 0.000 0.594 318 M N 0.273 119.876 119.600 0.006 0.000 2.358 318 M HA -0.171 4.309 4.480 -0.000 0.000 0.264 318 M C 2.167 178.477 176.300 0.017 0.000 1.064 318 M CA 1.983 57.289 55.300 0.011 0.000 1.093 318 M CB 0.187 32.792 32.600 0.007 0.000 1.401 318 M HN 0.456 nan 8.290 nan 0.000 0.440 319 S N 0.270 115.980 115.700 0.016 0.000 2.406 319 S HA 0.239 4.709 4.470 -0.000 0.000 0.224 319 S C 1.097 175.714 174.600 0.029 0.000 1.030 319 S CA 0.179 58.391 58.200 0.021 0.000 0.958 319 S CB -0.650 62.560 63.200 0.017 0.000 0.811 319 S HN 0.506 nan 8.310 nan 0.000 0.489 320 A N 1.320 124.158 122.820 0.030 0.000 2.483 320 A HA 0.348 4.668 4.320 -0.000 0.000 0.238 320 A C 0.815 178.422 177.584 0.039 0.000 1.070 320 A CA -0.207 51.853 52.037 0.039 0.000 0.770 320 A CB 0.143 19.172 19.000 0.048 0.000 1.008 320 A HN 0.559 nan 8.150 nan 0.000 0.497 321 Q N -0.467 119.359 119.800 0.042 0.000 2.214 321 Q HA 0.190 4.530 4.340 -0.000 0.000 0.229 321 Q C 0.117 176.134 176.000 0.028 0.000 0.835 321 Q CA 0.622 56.453 55.803 0.045 0.000 0.953 321 Q CB 0.951 29.723 28.738 0.056 0.000 1.131 321 Q HN 0.827 nan 8.270 nan 0.000 0.501 322 T N -1.044 113.519 114.554 0.014 0.000 2.786 322 T HA 0.325 4.675 4.350 -0.000 0.000 0.316 322 T C -1.368 173.317 174.700 -0.026 0.000 1.503 322 T CA -0.570 61.510 62.100 -0.033 0.000 1.019 322 T CB 1.448 70.324 68.868 0.012 0.000 1.415 322 T HN -0.148 nan 8.240 nan 0.000 0.496 323 V N 4.212 124.043 119.914 -0.139 0.000 2.686 323 V HA 0.541 4.661 4.120 -0.000 0.000 0.295 323 V C -0.017 176.128 176.094 0.085 0.000 1.055 323 V CA 0.321 62.613 62.300 -0.014 0.000 1.050 323 V CB 1.030 32.718 31.823 -0.225 0.000 0.984 323 V HN 1.040 nan 8.190 nan 0.000 0.482 324 D N 1.256 121.741 120.400 0.142 0.000 2.665 324 D HA 0.180 4.820 4.640 -0.000 0.000 0.287 324 D C 0.707 177.074 176.300 0.112 0.000 1.266 324 D CA 0.005 54.077 54.000 0.121 0.000 0.830 324 D CB 0.900 41.755 40.800 0.091 0.000 1.356 324 D HN 0.392 nan 8.370 nan 0.000 0.437 325 S N -0.631 115.118 115.700 0.081 0.000 2.462 325 S HA -0.246 4.224 4.470 -0.000 0.000 0.243 325 S C 1.718 176.347 174.600 0.048 0.000 1.003 325 S CA 1.582 59.817 58.200 0.058 0.000 0.970 325 S CB -0.610 62.614 63.200 0.039 0.000 0.762 325 S HN 0.585 nan 8.310 nan 0.000 0.510 326 S N 2.875 118.606 115.700 0.052 0.000 2.446 326 S HA -0.032 4.438 4.470 -0.000 0.000 0.225 326 S C 1.344 175.960 174.600 0.027 0.000 1.016 326 S CA 0.902 59.123 58.200 0.034 0.000 0.943 326 S CB -0.461 62.760 63.200 0.035 0.000 0.786 326 S HN 0.839 nan 8.310 nan 0.000 0.508 327 N N -0.017 118.716 118.700 0.056 0.000 2.118 327 N HA 0.155 4.895 4.740 -0.000 0.000 0.226 327 N C 0.971 176.538 175.510 0.095 0.000 1.305 327 N CA -0.005 53.063 53.050 0.031 0.000 0.890 327 N CB -0.728 37.779 38.487 0.034 0.000 1.118 327 N HN 0.298 nan 8.380 nan 0.000 0.511 328 I N 1.649 122.318 120.570 0.165 0.000 2.208 328 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 328 I C 0.553 176.742 176.117 0.119 0.000 1.097 328 I CA 1.559 62.999 61.300 0.235 0.000 1.363 328 I CB -0.438 37.656 38.000 0.156 0.000 1.051 328 I HN 0.023 nan 8.210 nan 0.000 0.413 329 D N 0.035 120.447 120.400 0.020 0.000 2.378 329 D HA -0.156 4.484 4.640 -0.000 0.000 0.222 329 D C 1.885 178.134 176.300 -0.086 0.000 0.980 329 D CA 0.681 54.661 54.000 -0.033 0.000 0.907 329 D CB -0.230 40.549 40.800 -0.035 0.000 0.899 329 D HN 0.327 nan 8.370 nan 0.000 0.527 330 K N -0.698 119.603 120.400 -0.166 0.000 2.487 330 K HA 0.051 4.370 4.320 -0.000 0.000 0.192 330 K C 0.208 176.489 176.600 -0.533 0.000 1.027 330 K CA 0.286 56.361 56.287 -0.355 0.000 1.054 330 K CB 0.101 32.322 32.500 -0.465 0.000 0.824 330 K HN 0.152 nan 8.250 nan 0.000 0.510 331 F N 0.141 120.037 119.950 -0.089 0.000 2.682 331 F HA 0.276 4.803 4.527 -0.000 0.000 0.308 331 F C 0.294 176.013 175.800 -0.135 0.000 1.093 331 F CA -0.719 57.220 58.000 -0.101 0.000 1.244 331 F CB 0.366 39.267 39.000 -0.166 0.000 1.052 331 F HN -0.179 nan 8.300 nan 0.000 0.573 332 I N 2.388 122.951 120.570 -0.012 0.000 2.906 332 I HA -0.215 3.955 4.170 -0.000 0.000 0.301 332 I C 0.380 176.491 176.117 -0.010 0.000 1.221 332 I CA 0.619 61.898 61.300 -0.035 0.000 1.435 332 I CB -0.109 37.863 38.000 -0.047 0.000 1.345 332 I HN 0.381 nan 8.210 nan 0.000 0.558 333 N N 2.354 121.050 118.700 -0.007 0.000 2.828 333 N HA -0.165 4.575 4.740 -0.000 0.000 0.248 333 N C -0.382 175.150 175.510 0.038 0.000 1.044 333 N CA 0.680 53.736 53.050 0.010 0.000 0.851 333 N CB -1.630 36.857 38.487 0.001 0.000 1.136 333 N HN 0.558 nan 8.380 nan 0.000 0.572 334 c N 0.165 118.808 118.600 0.071 0.000 2.605 334 c HA 0.468 5.038 4.570 -0.000 0.000 0.404 334 c C 2.245 176.401 174.090 0.111 0.000 1.284 334 c CA 0.331 56.725 56.329 0.109 0.000 2.199 334 c CB 0.889 43.518 42.510 0.199 0.000 2.647 334 c HN 0.618 nan 8.230 nan 0.000 0.604 335 T N -1.639 112.974 114.554 0.098 0.000 2.964 335 T HA 0.163 4.513 4.350 -0.000 0.000 0.249 335 T C 0.179 174.938 174.700 0.097 0.000 1.000 335 T CA 0.054 62.209 62.100 0.091 0.000 0.992 335 T CB 0.136 69.041 68.868 0.062 0.000 1.087 335 T HN 0.685 nan 8.240 nan 0.000 0.489 336 K N 1.029 121.486 120.400 0.094 0.000 2.324 336 K HA 0.585 4.905 4.320 -0.000 0.000 0.253 336 K C -1.451 175.213 176.600 0.107 0.000 0.932 336 K CA -1.048 55.289 56.287 0.084 0.000 0.799 336 K CB 1.404 33.939 32.500 0.058 0.000 1.154 336 K HN 0.092 nan 8.250 nan 0.000 0.425 337 I N 4.183 124.813 120.570 0.101 0.000 2.354 337 I HA 0.181 4.351 4.170 -0.000 0.000 0.286 337 I C -0.575 175.579 176.117 0.062 0.000 1.007 337 I CA -0.773 60.597 61.300 0.117 0.000 1.167 337 I CB 1.244 39.314 38.000 0.116 0.000 1.320 337 I HN 0.599 nan 8.210 nan 0.000 0.458 338 N N 6.179 124.916 118.700 0.062 0.000 2.448 338 N HA 0.458 5.198 4.740 -0.000 0.000 0.250 338 N C 0.660 176.177 175.510 0.011 0.000 1.136 338 N CA 0.321 53.388 53.050 0.029 0.000 0.953 338 N CB 1.543 40.046 38.487 0.028 0.000 1.251 338 N HN 1.009 nan 8.380 nan 0.000 0.502 339 G N 2.274 111.057 108.800 -0.029 0.000 2.225 339 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.203 339 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.203 339 G C -1.212 173.576 174.900 -0.187 0.000 1.335 339 G CA -0.720 44.327 45.100 -0.088 0.000 1.183 339 G HN 0.456 nan 8.290 nan 0.000 0.488 340 N N -0.446 118.079 118.700 -0.291 0.000 2.531 340 N HA 0.783 5.523 4.740 -0.000 0.000 0.290 340 N C -0.982 174.338 175.510 -0.316 0.000 1.257 340 N CA -0.460 52.294 53.050 -0.493 0.000 0.863 340 N CB 1.889 39.719 38.487 -1.094 0.000 1.320 340 N HN 0.543 nan 8.380 nan 0.000 0.538 341 L N 1.460 122.485 121.223 -0.330 0.000 2.406 341 L HA 0.566 4.906 4.340 -0.000 0.000 0.272 341 L C -0.942 175.757 176.870 -0.286 0.000 0.980 341 L CA -0.430 54.221 54.840 -0.316 0.000 0.831 341 L CB 1.559 43.481 42.059 -0.229 0.000 1.253 341 L HN 0.350 nan 8.230 nan 0.000 0.406 342 I N 2.641 122.953 120.570 -0.431 0.000 2.545 342 I HA 0.453 4.623 4.170 -0.000 0.000 0.292 342 I C -1.278 174.520 176.117 -0.532 0.000 1.040 342 I CA -0.476 60.668 61.300 -0.259 0.000 1.068 342 I CB 2.350 40.295 38.000 -0.091 0.000 1.251 342 I HN 0.317 nan 8.210 nan 0.000 0.424 343 F N 6.051 126.035 119.950 0.057 0.000 2.496 343 F HA 0.559 5.086 4.527 -0.000 0.000 0.341 343 F C -0.363 175.510 175.800 0.121 0.000 1.134 343 F CA -0.425 57.659 58.000 0.140 0.000 0.968 343 F CB 1.271 40.436 39.000 0.275 0.000 1.205 343 F HN 0.065 nan 8.300 nan 0.000 0.436 344 L N 2.550 123.900 121.223 0.211 0.000 2.322 344 L HA 0.478 4.818 4.340 -0.000 0.000 0.269 344 L C 1.109 178.102 176.870 0.205 0.000 1.012 344 L CA -1.124 53.819 54.840 0.172 0.000 0.815 344 L CB 1.811 43.935 42.059 0.110 0.000 1.295 344 L HN 0.352 nan 8.230 nan 0.000 0.438 345 V N -0.088 119.950 119.914 0.207 0.000 2.453 345 V HA -0.267 3.853 4.120 -0.000 0.000 0.252 345 V C 2.256 178.486 176.094 0.227 0.000 1.068 345 V CA 2.330 64.794 62.300 0.273 0.000 1.070 345 V CB -0.906 31.044 31.823 0.212 0.000 0.664 345 V HN 0.968 nan 8.190 nan 0.000 0.461 346 T N 0.224 114.873 114.554 0.158 0.000 2.759 346 T HA -0.126 4.224 4.350 -0.000 0.000 0.269 346 T C 1.796 176.573 174.700 0.129 0.000 1.042 346 T CA 1.698 63.876 62.100 0.130 0.000 1.140 346 T CB -0.414 68.514 68.868 0.100 0.000 0.864 346 T HN 0.669 nan 8.240 nan 0.000 0.455 347 G N 1.069 109.948 108.800 0.132 0.000 2.447 347 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.211 347 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.211 347 G C 1.430 176.394 174.900 0.107 0.000 1.184 347 G CA 0.054 45.227 45.100 0.122 0.000 0.813 347 G HN 0.339 nan 8.290 nan 0.000 0.540 348 I N 1.266 121.900 120.570 0.107 0.000 2.163 348 I HA -0.119 4.050 4.170 -0.000 0.000 0.243 348 I C 2.108 178.101 176.117 -0.208 0.000 1.085 348 I CA 1.274 62.541 61.300 -0.056 0.000 1.347 348 I CB -1.223 36.713 38.000 -0.106 0.000 1.044 348 I HN 0.258 nan 8.210 nan 0.000 0.408 349 H N 0.349 119.466 119.070 0.078 0.000 2.575 349 H HA 0.346 4.902 4.556 -0.000 0.000 0.267 349 H C 1.072 176.434 175.328 0.055 0.000 0.966 349 H CA 0.792 56.874 56.048 0.057 0.000 1.165 349 H CB 0.439 30.236 29.762 0.058 0.000 1.433 349 H HN 0.384 nan 8.280 nan 0.000 0.544 350 G N 1.393 110.279 108.800 0.142 0.000 2.712 350 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.686 350 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.686 350 G C -1.056 173.914 174.900 0.116 0.000 1.321 350 G CA -0.447 44.719 45.100 0.110 0.000 0.813 350 G HN 0.280 nan 8.290 nan 0.000 0.599 351 D N 1.761 122.222 120.400 0.102 0.000 2.477 351 D HA 0.514 5.154 4.640 -0.000 0.000 0.239 351 D C -0.911 175.457 176.300 0.114 0.000 1.102 351 D CA -2.057 52.011 54.000 0.113 0.000 0.901 351 D CB 1.342 42.211 40.800 0.115 0.000 1.026 351 D HN 0.025 nan 8.370 nan 0.000 0.515 352 P HA -0.191 nan 4.420 nan 0.000 0.216 352 P C 1.205 178.574 177.300 0.115 0.000 1.153 352 P CA 0.933 64.092 63.100 0.098 0.000 0.858 352 P CB 0.052 31.809 31.700 0.095 0.000 0.789 353 Y N 0.543 120.860 120.300 0.027 0.000 2.207 353 Y HA -0.175 4.375 4.550 -0.000 0.000 0.287 353 Y C 1.041 176.955 175.900 0.022 0.000 1.156 353 Y CA 1.720 59.834 58.100 0.023 0.000 1.182 353 Y CB -0.798 37.676 38.460 0.024 0.000 0.979 353 Y HN -0.053 nan 8.280 nan 0.000 0.521 354 N N -0.035 118.739 118.700 0.123 0.000 2.214 354 N HA 0.320 5.060 4.740 -0.000 0.000 0.214 354 N C 0.067 175.586 175.510 0.014 0.000 1.132 354 N CA 0.623 53.698 53.050 0.042 0.000 0.856 354 N CB 0.517 39.073 38.487 0.115 0.000 1.020 354 N HN 0.284 nan 8.380 nan 0.000 0.509 355 A N 0.576 123.403 122.820 0.011 0.000 2.687 355 A HA -0.211 4.109 4.320 -0.000 0.000 0.299 355 A C -0.204 177.395 177.584 0.024 0.000 1.497 355 A CA 0.545 52.587 52.037 0.009 0.000 0.751 355 A CB -2.335 16.655 19.000 -0.015 0.000 1.048 355 A HN 0.347 nan 8.150 nan 0.000 0.464 356 I N 0.675 121.272 120.570 0.044 0.000 2.390 356 I HA 0.214 4.384 4.170 -0.000 0.000 0.283 356 I C 0.737 176.884 176.117 0.050 0.000 1.016 356 I CA -0.495 60.833 61.300 0.046 0.000 1.151 356 I CB 1.182 39.217 38.000 0.058 0.000 1.293 356 I HN 0.432 nan 8.210 nan 0.000 0.458 357 E N 3.812 124.035 120.200 0.039 0.000 2.438 357 E HA 0.248 4.598 4.350 -0.000 0.000 0.261 357 E C 0.253 176.878 176.600 0.042 0.000 1.103 357 E CA -0.375 56.048 56.400 0.038 0.000 0.959 357 E CB 0.737 30.452 29.700 0.025 0.000 0.958 357 E HN 0.692 nan 8.360 nan 0.000 0.447 358 A N 2.592 125.436 122.820 0.041 0.000 2.462 358 A HA 0.126 4.446 4.320 -0.000 0.000 0.243 358 A C 0.324 177.910 177.584 0.005 0.000 1.076 358 A CA -0.265 51.788 52.037 0.028 0.000 0.773 358 A CB -0.049 18.965 19.000 0.024 0.000 1.010 358 A HN 0.524 nan 8.150 nan 0.000 0.493 359 I N 1.195 121.765 120.570 -0.000 0.000 2.932 359 I HA -0.085 4.085 4.170 -0.000 0.000 0.295 359 I C 0.447 176.540 176.117 -0.039 0.000 1.227 359 I CA 0.420 61.720 61.300 0.000 0.000 1.429 359 I CB 0.350 38.364 38.000 0.024 0.000 1.339 359 I HN 0.719 nan 8.210 nan 0.000 0.589 360 D N 7.803 128.184 120.400 -0.032 0.000 2.347 360 D HA 0.205 4.845 4.640 -0.000 0.000 0.235 360 D C -1.684 174.568 176.300 -0.081 0.000 1.149 360 D CA -2.198 51.771 54.000 -0.051 0.000 0.850 360 D CB 1.443 42.223 40.800 -0.034 0.000 1.061 360 D HN 0.110 nan 8.370 nan 0.000 0.487 361 P HA -0.266 nan 4.420 nan 0.000 0.219 361 P C 1.024 178.240 177.300 -0.141 0.000 1.158 361 P CA 1.465 64.453 63.100 -0.186 0.000 0.895 361 P CB 0.240 31.827 31.700 -0.189 0.000 0.792 362 E N 0.188 120.331 120.200 -0.095 0.000 2.097 362 E HA -0.235 4.115 4.350 -0.000 0.000 0.196 362 E C 1.744 178.307 176.600 -0.061 0.000 1.000 362 E CA 1.649 58.006 56.400 -0.071 0.000 0.804 362 E CB -0.748 28.920 29.700 -0.054 0.000 0.740 362 E HN 0.036 nan 8.360 nan 0.000 0.454 363 K N 0.012 120.381 120.400 -0.053 0.000 2.281 363 K HA -0.102 4.217 4.320 -0.000 0.000 0.203 363 K C 2.009 178.585 176.600 -0.040 0.000 1.046 363 K CA 0.773 57.035 56.287 -0.042 0.000 0.938 363 K CB -0.278 32.210 32.500 -0.020 0.000 0.737 363 K HN 0.327 nan 8.250 nan 0.000 0.458 364 L N 1.218 122.430 121.223 -0.018 0.000 2.549 364 L HA -0.111 4.229 4.340 -0.000 0.000 0.229 364 L C 1.505 178.409 176.870 0.056 0.000 1.158 364 L CA 0.426 55.318 54.840 0.086 0.000 0.842 364 L CB -0.344 41.705 42.059 -0.017 0.000 0.952 364 L HN 0.149 nan 8.230 nan 0.000 0.452 365 N N -0.090 118.589 118.700 -0.036 0.000 2.550 365 N HA -0.092 4.648 4.740 -0.000 0.000 0.186 365 N C 1.862 177.308 175.510 -0.105 0.000 1.110 365 N CA 1.202 54.223 53.050 -0.048 0.000 0.912 365 N CB 0.145 38.605 38.487 -0.045 0.000 0.968 365 N HN 0.353 nan 8.380 nan 0.000 0.448 366 V N -2.052 117.729 119.914 -0.221 0.000 2.720 366 V HA -0.119 4.001 4.120 -0.000 0.000 0.256 366 V C 1.570 177.463 176.094 -0.335 0.000 1.082 366 V CA 1.246 63.368 62.300 -0.297 0.000 1.101 366 V CB -1.276 30.307 31.823 -0.400 0.000 0.693 366 V HN 0.030 nan 8.190 nan 0.000 0.479 367 F N 0.237 120.120 119.950 -0.112 0.000 2.802 367 F HA 0.195 4.722 4.527 -0.000 0.000 0.300 367 F C 2.516 178.215 175.800 -0.168 0.000 1.168 367 F CA 0.276 58.151 58.000 -0.209 0.000 1.433 367 F CB -0.327 38.304 39.000 -0.614 0.000 1.115 367 F HN 0.000 nan 8.300 nan 0.000 0.582 368 R N 0.086 120.587 120.500 0.002 0.000 2.159 368 R HA -0.134 4.206 4.340 -0.000 0.000 0.237 368 R C 2.115 178.445 176.300 0.049 0.000 1.131 368 R CA 1.854 57.965 56.100 0.018 0.000 0.982 368 R CB -1.368 28.930 30.300 -0.003 0.000 0.868 368 R HN 0.364 nan 8.270 nan 0.000 0.453 369 T N -2.221 112.362 114.554 0.048 0.000 3.081 369 T HA 0.101 4.451 4.350 -0.000 0.000 0.255 369 T C 1.017 175.778 174.700 0.102 0.000 1.113 369 T CA -0.147 61.990 62.100 0.060 0.000 1.082 369 T CB -0.004 68.888 68.868 0.039 0.000 0.939 369 T HN -0.186 nan 8.240 nan 0.000 0.506 370 V N 3.043 123.054 119.914 0.162 0.000 2.529 370 V HA 0.202 4.322 4.120 -0.000 0.000 0.292 370 V C 1.283 177.480 176.094 0.171 0.000 1.028 370 V CA -0.097 62.330 62.300 0.210 0.000 1.074 370 V CB 0.551 32.587 31.823 0.356 0.000 0.958 370 V HN 0.444 nan 8.190 nan 0.000 0.481 371 R N 3.100 123.672 120.500 0.120 0.000 2.316 371 R HA 0.293 4.633 4.340 -0.000 0.000 0.201 371 R C 0.513 176.847 176.300 0.057 0.000 0.888 371 R CA 0.073 56.222 56.100 0.080 0.000 1.041 371 R CB 1.051 31.386 30.300 0.058 0.000 1.115 371 R HN 0.824 nan 8.270 nan 0.000 0.559 372 E N 0.578 120.816 120.200 0.063 0.000 2.383 372 E HA 0.452 4.802 4.350 -0.000 0.000 0.275 372 E C -1.436 175.184 176.600 0.032 0.000 0.918 372 E CA -0.554 55.865 56.400 0.032 0.000 0.764 372 E CB 2.118 31.834 29.700 0.028 0.000 1.252 372 E HN -0.071 nan 8.360 nan 0.000 0.449 373 I N 3.627 124.193 120.570 -0.007 0.000 2.497 373 I HA 0.125 4.295 4.170 -0.000 0.000 0.284 373 I C 1.114 177.213 176.117 -0.029 0.000 1.060 373 I CA -0.478 60.806 61.300 -0.026 0.000 1.071 373 I CB 1.952 39.902 38.000 -0.084 0.000 1.216 373 I HN 0.787 nan 8.210 nan 0.000 0.442 374 T N 1.237 115.780 114.554 -0.018 0.000 2.867 374 T HA 0.004 4.354 4.350 -0.000 0.000 0.268 374 T C 1.236 175.927 174.700 -0.015 0.000 1.057 374 T CA 0.996 63.090 62.100 -0.010 0.000 1.136 374 T CB 0.104 68.971 68.868 -0.001 0.000 0.874 374 T HN 0.642 nan 8.240 nan 0.000 0.466 375 G N 1.583 110.349 108.800 -0.057 0.000 3.348 375 G HA2 0.507 4.467 3.960 -0.000 0.000 0.180 375 G HA3 0.507 4.467 3.960 -0.000 0.000 0.180 375 G C -0.210 174.699 174.900 0.015 0.000 1.915 375 G CA -0.317 44.745 45.100 -0.064 0.000 0.937 375 G HN 0.588 nan 8.290 nan 0.000 0.564 376 F N -1.670 118.259 119.950 -0.035 0.000 2.593 376 F HA 0.797 5.324 4.527 -0.000 0.000 0.320 376 F C -1.202 174.528 175.800 -0.117 0.000 1.060 376 F CA -2.100 55.863 58.000 -0.061 0.000 0.940 376 F CB 1.746 40.739 39.000 -0.011 0.000 1.268 376 F HN 0.339 nan 8.300 nan 0.000 0.475 377 L N 3.399 124.722 121.223 0.167 0.000 2.319 377 L HA 0.561 4.901 4.340 -0.000 0.000 0.281 377 L C -1.479 175.412 176.870 0.035 0.000 1.005 377 L CA -0.365 54.458 54.840 -0.028 0.000 0.828 377 L CB 0.890 42.765 42.059 -0.307 0.000 1.227 377 L HN 0.827 nan 8.230 nan 0.000 0.415 378 N N 5.549 124.298 118.700 0.082 0.000 2.442 378 N HA 0.481 5.221 4.740 -0.000 0.000 0.274 378 N C -1.566 173.955 175.510 0.019 0.000 1.002 378 N CA -0.309 52.705 53.050 -0.061 0.000 0.910 378 N CB 1.084 39.457 38.487 -0.190 0.000 1.244 378 N HN 0.596 nan 8.380 nan 0.000 0.492 379 I N 3.293 123.835 120.570 -0.047 0.000 2.405 379 I HA 0.244 4.414 4.170 -0.000 0.000 0.280 379 I C 0.704 176.857 176.117 0.060 0.000 1.027 379 I CA -0.360 60.964 61.300 0.040 0.000 1.161 379 I CB 1.640 39.508 38.000 -0.221 0.000 1.300 379 I HN 0.399 nan 8.210 nan 0.000 0.463 380 Q N 2.622 122.500 119.800 0.129 0.000 2.247 380 Q HA 0.283 4.623 4.340 -0.000 0.000 0.211 380 Q C 0.238 176.355 176.000 0.194 0.000 0.861 380 Q CA 0.145 56.015 55.803 0.111 0.000 0.949 380 Q CB 1.513 30.293 28.738 0.070 0.000 1.115 380 Q HN 0.594 nan 8.270 nan 0.000 0.507 381 S N -0.481 115.394 115.700 0.292 0.000 2.547 381 S HA 0.603 5.072 4.470 -0.000 0.000 0.270 381 S C -2.414 172.494 174.600 0.514 0.000 1.150 381 S CA -0.619 57.792 58.200 0.352 0.000 0.850 381 S CB 1.522 64.918 63.200 0.325 0.000 1.118 381 S HN 0.364 nan 8.310 nan 0.000 0.461 382 W N 3.326 124.690 121.300 0.107 0.000 3.479 382 W HA 0.355 5.015 4.660 -0.000 0.000 0.304 382 W C -3.144 173.366 176.519 -0.016 0.000 1.243 382 W CA -2.067 55.301 57.345 0.039 0.000 1.202 382 W CB 1.609 31.106 29.460 0.061 0.000 1.346 382 W HN 0.498 nan 8.180 nan 0.000 0.539 383 P HA 0.000 nan 4.420 nan 0.000 0.264 383 P C -2.055 175.148 177.300 -0.162 0.000 1.183 383 P CA -0.072 62.816 63.100 -0.353 0.000 0.763 383 P CB 0.434 31.842 31.700 -0.486 0.000 0.807 384 P HA -0.151 nan 4.420 nan 0.000 0.216 384 P C 0.753 178.049 177.300 -0.007 0.000 1.150 384 P CA 1.453 64.567 63.100 0.024 0.000 0.837 384 P CB -0.024 31.714 31.700 0.064 0.000 0.786 385 N N -1.344 117.328 118.700 -0.047 0.000 2.461 385 N HA 0.059 4.799 4.740 -0.000 0.000 0.188 385 N C 0.415 175.889 175.510 -0.059 0.000 1.134 385 N CA 0.483 53.508 53.050 -0.043 0.000 0.878 385 N CB -0.266 38.193 38.487 -0.046 0.000 0.972 385 N HN 0.290 nan 8.380 nan 0.000 0.456 386 M N 0.514 120.059 119.600 -0.092 0.000 2.063 386 M HA 0.088 4.568 4.480 -0.000 0.000 0.348 386 M C 1.127 177.427 176.300 0.001 0.000 1.180 386 M CA -0.183 55.068 55.300 -0.080 0.000 1.059 386 M CB 1.211 33.672 32.600 -0.233 0.000 1.544 386 M HN -0.025 nan 8.290 nan 0.000 0.447 387 T N -1.498 113.041 114.554 -0.024 0.000 3.113 387 T HA 0.096 4.446 4.350 -0.000 0.000 0.256 387 T C -0.035 174.590 174.700 -0.126 0.000 1.131 387 T CA 0.530 62.606 62.100 -0.040 0.000 1.074 387 T CB -0.456 68.403 68.868 -0.014 0.000 0.944 387 T HN 0.771 nan 8.240 nan 0.000 0.516 388 D N -0.741 119.538 120.400 -0.202 0.000 2.779 388 D HA 0.310 4.950 4.640 -0.000 0.000 0.331 388 D C -1.063 174.905 176.300 -0.552 0.000 1.331 388 D CA -1.089 52.663 54.000 -0.413 0.000 0.866 388 D CB -0.204 40.479 40.800 -0.195 0.000 1.409 388 D HN 0.056 nan 8.370 nan 0.000 0.486 389 F N 0.444 120.247 119.950 -0.244 0.000 2.983 389 F HA 0.248 4.775 4.527 -0.000 0.000 0.307 389 F C 1.768 177.457 175.800 -0.186 0.000 1.218 389 F CA -0.448 57.384 58.000 -0.280 0.000 1.323 389 F CB 0.489 39.046 39.000 -0.738 0.000 0.989 389 F HN 0.370 nan 8.300 nan 0.000 0.509 390 S N -1.058 114.641 115.700 -0.003 0.000 2.500 390 S HA -0.143 4.327 4.470 -0.000 0.000 0.239 390 S C 1.952 176.582 174.600 0.049 0.000 0.989 390 S CA 0.946 59.144 58.200 -0.003 0.000 0.951 390 S CB -0.941 62.245 63.200 -0.023 0.000 0.759 390 S HN 0.414 nan 8.310 nan 0.000 0.523 391 V N -2.713 117.254 119.914 0.089 0.000 3.141 391 V HA 0.266 4.386 4.120 -0.000 0.000 0.265 391 V C 1.153 177.188 176.094 -0.099 0.000 1.126 391 V CA 0.827 63.126 62.300 -0.001 0.000 1.141 391 V CB -1.368 30.458 31.823 0.006 0.000 0.743 391 V HN 0.463 nan 8.190 nan 0.000 0.492 392 F N 0.321 120.365 119.950 0.157 0.000 2.750 392 F HA 0.397 4.924 4.527 -0.000 0.000 0.297 392 F C 2.072 177.941 175.800 0.115 0.000 1.138 392 F CA 0.026 58.129 58.000 0.173 0.000 1.346 392 F CB 0.278 39.449 39.000 0.285 0.000 0.965 392 F HN -0.014 nan 8.300 nan 0.000 0.514 393 S N 0.183 115.981 115.700 0.164 0.000 2.440 393 S HA -0.176 4.294 4.470 -0.000 0.000 0.240 393 S C 1.662 176.301 174.600 0.064 0.000 1.014 393 S CA 1.174 59.417 58.200 0.071 0.000 0.980 393 S CB -0.187 63.029 63.200 0.026 0.000 0.775 393 S HN 0.435 nan 8.310 nan 0.000 0.499 394 N N 0.802 119.562 118.700 0.099 0.000 2.236 394 N HA 0.155 4.895 4.740 -0.000 0.000 0.196 394 N C -0.168 175.392 175.510 0.083 0.000 1.114 394 N CA -0.071 53.023 53.050 0.073 0.000 0.859 394 N CB 0.023 38.551 38.487 0.069 0.000 0.982 394 N HN 0.283 nan 8.380 nan 0.000 0.493 395 L N 1.573 122.870 121.223 0.122 0.000 2.530 395 L HA 0.053 4.392 4.340 -0.000 0.000 0.273 395 L C 0.965 177.819 176.870 -0.026 0.000 1.141 395 L CA 0.327 55.209 54.840 0.069 0.000 0.905 395 L CB 0.649 42.740 42.059 0.053 0.000 1.202 395 L HN -0.189 nan 8.230 nan 0.000 0.473 396 V N 3.108 123.013 119.914 -0.016 0.000 2.672 396 V HA 0.167 4.287 4.120 -0.000 0.000 0.242 396 V C 0.831 176.902 176.094 -0.039 0.000 1.059 396 V CA 1.098 63.383 62.300 -0.025 0.000 1.081 396 V CB 0.087 31.911 31.823 0.001 0.000 0.752 396 V HN 0.854 nan 8.190 nan 0.000 0.472 397 T N 0.808 115.341 114.554 -0.035 0.000 2.893 397 T HA 0.673 5.023 4.350 -0.000 0.000 0.293 397 T C -0.765 173.903 174.700 -0.053 0.000 1.027 397 T CA -0.079 62.002 62.100 -0.031 0.000 0.988 397 T CB 2.402 71.269 68.868 -0.002 0.000 1.043 397 T HN -0.004 nan 8.240 nan 0.000 0.461 398 I N 2.261 122.802 120.570 -0.048 0.000 2.466 398 I HA 0.329 4.499 4.170 -0.000 0.000 0.279 398 I C 1.385 177.502 176.117 -0.000 0.000 1.033 398 I CA -0.691 60.576 61.300 -0.054 0.000 1.123 398 I CB 1.634 39.577 38.000 -0.095 0.000 1.237 398 I HN 0.894 nan 8.210 nan 0.000 0.460 399 G N 3.425 112.229 108.800 0.006 0.000 2.408 399 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.217 399 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.217 399 G C 1.285 176.209 174.900 0.041 0.000 1.150 399 G CA 0.718 45.833 45.100 0.024 0.000 0.776 399 G HN 0.961 nan 8.290 nan 0.000 0.542 400 G N -0.043 108.788 108.800 0.052 0.000 2.221 400 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.265 400 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.265 400 G C 1.122 176.064 174.900 0.070 0.000 1.041 400 G CA 0.717 45.867 45.100 0.083 0.000 0.807 400 G HN 0.581 nan 8.290 nan 0.000 0.502 401 R N -1.416 119.116 120.500 0.053 0.000 2.189 401 R HA 0.182 4.522 4.340 -0.000 0.000 0.223 401 R C 0.687 177.022 176.300 0.059 0.000 1.092 401 R CA 1.245 57.370 56.100 0.042 0.000 0.989 401 R CB 0.275 30.590 30.300 0.026 0.000 0.876 401 R HN 0.376 nan 8.270 nan 0.000 0.457 402 V N 1.666 121.639 119.914 0.098 0.000 2.577 402 V HA 0.311 4.431 4.120 -0.000 0.000 0.303 402 V C -0.510 175.776 176.094 0.320 0.000 1.042 402 V CA -0.694 61.700 62.300 0.157 0.000 0.872 402 V CB 2.178 34.075 31.823 0.123 0.000 0.998 402 V HN 0.053 nan 8.190 nan 0.000 0.423 403 L N 3.651 125.012 121.223 0.230 0.000 2.334 403 L HA 0.563 4.903 4.340 -0.000 0.000 0.270 403 L C -1.006 175.815 176.870 -0.083 0.000 1.018 403 L CA -0.917 54.003 54.840 0.133 0.000 0.811 403 L CB 1.578 43.637 42.059 -0.001 0.000 1.271 403 L HN 0.678 nan 8.230 nan 0.000 0.443 404 Y N 0.858 120.739 120.300 -0.699 0.000 2.491 404 Y HA 0.204 4.754 4.550 -0.000 0.000 0.334 404 Y C 0.625 176.244 175.900 -0.468 0.000 0.969 404 Y CA -0.491 57.055 58.100 -0.923 0.000 1.241 404 Y CB 0.767 38.263 38.460 -1.606 0.000 1.105 404 Y HN 0.701 nan 8.280 nan 0.000 0.503 405 S N 4.051 119.343 115.700 -0.680 0.000 3.587 405 S HA -0.225 4.245 4.470 -0.000 0.000 0.337 405 S C 1.133 175.547 174.600 -0.309 0.000 1.119 405 S CA 1.378 59.268 58.200 -0.517 0.000 0.976 405 S CB -1.729 61.071 63.200 -0.666 0.000 0.922 405 S HN 1.945 nan 8.310 nan 0.000 0.503 406 G N -1.028 107.638 108.800 -0.223 0.000 2.176 406 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.253 406 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.253 406 G C -0.123 174.715 174.900 -0.103 0.000 0.979 406 G CA 0.266 45.285 45.100 -0.135 0.000 0.641 406 G HN 0.727 nan 8.290 nan 0.000 0.530 407 L N 0.814 121.960 121.223 -0.128 0.000 2.334 407 L HA 0.622 4.962 4.340 -0.000 0.000 0.276 407 L C 1.525 178.368 176.870 -0.045 0.000 1.014 407 L CA -0.252 54.550 54.840 -0.065 0.000 0.815 407 L CB 1.892 43.912 42.059 -0.064 0.000 1.268 407 L HN 0.190 nan 8.230 nan 0.000 0.428 408 S N 1.574 117.286 115.700 0.020 0.000 2.497 408 S HA 0.219 4.689 4.470 -0.000 0.000 0.218 408 S C 0.003 174.632 174.600 0.048 0.000 1.023 408 S CA -0.122 58.126 58.200 0.080 0.000 0.913 408 S CB 0.340 63.588 63.200 0.081 0.000 0.800 408 S HN 0.392 nan 8.310 nan 0.000 0.505 409 L N 1.301 122.521 121.223 -0.005 0.000 2.439 409 L HA 0.775 5.115 4.340 -0.000 0.000 0.270 409 L C -1.798 175.030 176.870 -0.069 0.000 0.972 409 L CA -0.937 53.858 54.840 -0.074 0.000 0.836 409 L CB 2.053 44.049 42.059 -0.105 0.000 1.255 409 L HN 0.249 nan 8.230 nan 0.000 0.404 410 L N 6.548 127.703 121.223 -0.113 0.000 2.441 410 L HA 0.691 5.031 4.340 -0.000 0.000 0.270 410 L C -1.638 175.163 176.870 -0.115 0.000 0.973 410 L CA -0.137 54.650 54.840 -0.088 0.000 0.842 410 L CB 1.616 43.595 42.059 -0.133 0.000 1.239 410 L HN 0.557 nan 8.230 nan 0.000 0.406 411 I N 6.324 126.855 120.570 -0.065 0.000 2.439 411 I HA 0.460 4.630 4.170 -0.000 0.000 0.283 411 I C -1.312 174.815 176.117 0.016 0.000 1.023 411 I CA -0.664 60.605 61.300 -0.053 0.000 1.100 411 I CB 1.826 39.801 38.000 -0.042 0.000 1.238 411 I HN 0.476 nan 8.210 nan 0.000 0.445 412 L N 7.307 128.550 121.223 0.032 0.000 2.408 412 L HA 0.538 4.878 4.340 -0.000 0.000 0.268 412 L C 0.056 176.967 176.870 0.069 0.000 0.986 412 L CA -0.271 54.598 54.840 0.047 0.000 0.820 412 L CB 1.328 43.408 42.059 0.034 0.000 1.303 412 L HN 0.424 nan 8.230 nan 0.000 0.411 413 K N 2.095 122.531 120.400 0.061 0.000 3.069 413 K HA -0.164 4.156 4.320 -0.000 0.000 0.267 413 K C -0.709 175.947 176.600 0.094 0.000 1.082 413 K CA 0.632 56.959 56.287 0.067 0.000 0.782 413 K CB -1.293 31.247 32.500 0.066 0.000 1.230 413 K HN 0.690 nan 8.250 nan 0.000 0.488 414 Q N 0.746 120.611 119.800 0.107 0.000 2.360 414 Q HA 0.182 4.522 4.340 -0.000 0.000 0.254 414 Q C 1.157 177.218 176.000 0.102 0.000 0.975 414 Q CA -0.081 55.804 55.803 0.138 0.000 0.912 414 Q CB 1.321 30.170 28.738 0.185 0.000 1.212 414 Q HN 0.070 nan 8.270 nan 0.000 0.452 415 Q N 0.831 120.688 119.800 0.095 0.000 2.424 415 Q HA 0.090 4.430 4.340 -0.000 0.000 0.204 415 Q C 1.485 177.527 176.000 0.070 0.000 0.933 415 Q CA 0.712 56.558 55.803 0.071 0.000 0.929 415 Q CB 0.280 29.054 28.738 0.061 0.000 1.037 415 Q HN 0.760 nan 8.270 nan 0.000 0.511 416 G N 1.475 110.326 108.800 0.086 0.000 2.494 416 G HA2 0.037 3.997 3.960 -0.000 0.000 0.216 416 G HA3 0.037 3.997 3.960 -0.000 0.000 0.216 416 G C 0.923 175.851 174.900 0.047 0.000 1.140 416 G CA -0.099 45.044 45.100 0.071 0.000 0.801 416 G HN 0.422 nan 8.290 nan 0.000 0.536 417 I N 0.267 120.857 120.570 0.033 0.000 2.496 417 I HA 0.440 4.610 4.170 -0.000 0.000 0.285 417 I C 0.977 177.118 176.117 0.040 0.000 1.080 417 I CA 0.019 61.301 61.300 -0.029 0.000 1.404 417 I CB 1.604 39.514 38.000 -0.150 0.000 1.403 417 I HN -0.021 nan 8.210 nan 0.000 0.539 418 T N 0.784 115.372 114.554 0.056 0.000 2.985 418 T HA 0.257 4.607 4.350 -0.000 0.000 0.254 418 T C 0.584 175.433 174.700 0.249 0.000 1.021 418 T CA 0.306 62.489 62.100 0.138 0.000 0.957 418 T CB -0.196 68.748 68.868 0.127 0.000 1.047 418 T HN 0.848 nan 8.240 nan 0.000 0.511 419 S N -0.475 115.330 115.700 0.175 0.000 2.615 419 S HA 0.661 5.131 4.470 -0.000 0.000 0.269 419 S C 0.127 174.800 174.600 0.121 0.000 1.161 419 S CA -1.034 57.308 58.200 0.236 0.000 0.817 419 S CB 1.078 64.320 63.200 0.070 0.000 1.131 419 S HN 0.058 nan 8.310 nan 0.000 0.467 420 L N 0.033 121.379 121.223 0.205 0.000 2.265 420 L HA 0.305 4.645 4.340 -0.000 0.000 0.195 420 L C 0.590 177.365 176.870 -0.159 0.000 1.083 420 L CA 0.170 55.112 54.840 0.170 0.000 0.798 420 L CB -0.654 41.706 42.059 0.501 0.000 0.989 420 L HN 0.844 nan 8.230 nan 0.000 0.472 421 Q N -0.513 119.281 119.800 -0.010 0.000 2.493 421 Q HA -0.212 4.128 4.340 -0.000 0.000 0.278 421 Q C -0.330 175.472 176.000 -0.329 0.000 1.216 421 Q CA 0.534 56.273 55.803 -0.106 0.000 0.875 421 Q CB -2.480 26.182 28.738 -0.127 0.000 1.262 421 Q HN 0.391 nan 8.270 nan 0.000 0.468 422 F N 1.243 120.905 119.950 -0.481 0.000 2.666 422 F HA 0.043 4.570 4.527 -0.000 0.000 0.362 422 F C 2.072 177.191 175.800 -1.135 0.000 1.190 422 F CA 0.310 57.801 58.000 -0.847 0.000 1.328 422 F CB 0.010 38.296 39.000 -1.190 0.000 1.682 422 F HN 0.238 nan 8.300 nan 0.000 0.623 423 Q N 0.398 119.952 119.800 -0.410 0.000 2.165 423 Q HA -0.289 4.051 4.340 -0.000 0.000 0.215 423 Q C 1.736 177.650 176.000 -0.143 0.000 1.010 423 Q CA 2.567 58.247 55.803 -0.205 0.000 0.896 423 Q CB 0.014 28.713 28.738 -0.065 0.000 0.956 423 Q HN 0.466 nan 8.270 nan 0.000 0.413 424 S N -0.325 115.297 115.700 -0.131 0.000 2.517 424 S HA 0.096 4.566 4.470 -0.000 0.000 0.214 424 S C 0.085 174.637 174.600 -0.080 0.000 0.991 424 S CA -0.435 57.729 58.200 -0.060 0.000 0.906 424 S CB 0.192 63.380 63.200 -0.021 0.000 0.789 424 S HN 0.331 nan 8.310 nan 0.000 0.513 425 L N 3.287 124.381 121.223 -0.215 0.000 2.660 425 L HA 0.024 4.364 4.340 -0.000 0.000 0.272 425 L C 0.888 177.760 176.870 0.005 0.000 1.194 425 L CA 0.834 55.555 54.840 -0.199 0.000 0.945 425 L CB 0.097 41.861 42.059 -0.492 0.000 1.212 425 L HN -0.062 nan 8.230 nan 0.000 0.490 426 K N 3.381 123.788 120.400 0.011 0.000 2.462 426 K HA 0.205 4.525 4.320 -0.000 0.000 0.201 426 K C -0.033 176.590 176.600 0.038 0.000 1.268 426 K CA 0.154 56.468 56.287 0.045 0.000 0.933 426 K CB 1.049 33.567 32.500 0.030 0.000 1.162 426 K HN 0.699 nan 8.250 nan 0.000 0.527 427 E N 0.751 120.967 120.200 0.027 0.000 2.314 427 E HA 0.404 4.754 4.350 -0.000 0.000 0.272 427 E C -1.401 175.232 176.600 0.055 0.000 0.884 427 E CA -0.453 55.975 56.400 0.047 0.000 0.753 427 E CB 1.809 31.535 29.700 0.043 0.000 1.213 427 E HN -0.035 nan 8.360 nan 0.000 0.432 428 I N 4.324 124.963 120.570 0.116 0.000 2.641 428 I HA 0.108 4.278 4.170 -0.000 0.000 0.275 428 I C 0.656 176.883 176.117 0.183 0.000 1.129 428 I CA -0.252 61.136 61.300 0.148 0.000 1.094 428 I CB 1.525 39.665 38.000 0.234 0.000 1.232 428 I HN 0.511 nan 8.210 nan 0.000 0.503 429 S N 3.159 118.925 115.700 0.110 0.000 2.370 429 S HA -0.026 4.444 4.470 -0.000 0.000 0.226 429 S C 0.888 175.533 174.600 0.076 0.000 1.033 429 S CA 1.342 59.596 58.200 0.090 0.000 1.011 429 S CB 0.036 63.270 63.200 0.057 0.000 0.852 429 S HN 0.741 nan 8.310 nan 0.000 0.457 430 A N -0.694 122.165 122.820 0.065 0.000 2.587 430 A HA 0.715 5.035 4.320 -0.000 0.000 0.293 430 A C 0.123 177.719 177.584 0.020 0.000 1.087 430 A CA -0.193 51.860 52.037 0.027 0.000 0.692 430 A CB 0.863 19.876 19.000 0.022 0.000 1.291 430 A HN 1.252 nan 8.150 nan 0.000 0.407 431 G N 0.634 109.417 108.800 -0.028 0.000 2.712 431 G HA2 0.058 4.018 3.960 -0.000 0.000 0.683 431 G HA3 0.058 4.018 3.960 -0.000 0.000 0.683 431 G C -0.969 173.887 174.900 -0.073 0.000 1.320 431 G CA -0.317 44.763 45.100 -0.034 0.000 0.847 431 G HN 1.102 nan 8.290 nan 0.000 0.553 432 N N -1.110 117.565 118.700 -0.042 0.000 2.483 432 N HA 0.776 5.516 4.740 -0.000 0.000 0.285 432 N C -0.074 175.479 175.510 0.072 0.000 1.210 432 N CA -0.501 52.532 53.050 -0.028 0.000 0.931 432 N CB 1.349 39.840 38.487 0.008 0.000 1.220 432 N HN 0.609 nan 8.380 nan 0.000 0.542 433 I N 0.896 121.518 120.570 0.086 0.000 2.465 433 I HA 0.303 4.473 4.170 -0.000 0.000 0.291 433 I C -1.233 174.901 176.117 0.028 0.000 1.014 433 I CA -0.649 60.673 61.300 0.036 0.000 1.093 433 I CB 1.295 39.239 38.000 -0.093 0.000 1.267 433 I HN 0.275 nan 8.210 nan 0.000 0.431 434 Y N 6.342 126.556 120.300 -0.143 0.000 2.338 434 Y HA 0.576 5.126 4.550 -0.000 0.000 0.333 434 Y C -0.373 175.446 175.900 -0.134 0.000 0.968 434 Y CA -0.604 57.418 58.100 -0.130 0.000 1.123 434 Y CB 1.798 40.208 38.460 -0.082 0.000 1.165 434 Y HN 0.313 nan 8.280 nan 0.000 0.452 435 I N 4.668 125.201 120.570 -0.062 0.000 2.521 435 I HA 0.347 4.517 4.170 -0.000 0.000 0.277 435 I C -0.707 175.350 176.117 -0.098 0.000 1.054 435 I CA -0.404 60.860 61.300 -0.060 0.000 1.117 435 I CB 1.336 39.291 38.000 -0.075 0.000 1.217 435 I HN 0.579 nan 8.210 nan 0.000 0.469 436 T N -0.233 114.300 114.554 -0.035 0.000 2.896 436 T HA 0.388 4.738 4.350 -0.000 0.000 0.297 436 T C -0.107 174.578 174.700 -0.024 0.000 1.108 436 T CA -0.544 61.527 62.100 -0.049 0.000 1.004 436 T CB 2.341 71.219 68.868 0.018 0.000 1.159 436 T HN 0.574 nan 8.240 nan 0.000 0.499 437 D N 0.607 120.983 120.400 -0.039 0.000 3.012 437 D HA -0.127 4.513 4.640 -0.000 0.000 0.222 437 D C -0.612 175.687 176.300 -0.003 0.000 1.167 437 D CA 0.561 54.554 54.000 -0.012 0.000 0.854 437 D CB -1.078 39.731 40.800 0.015 0.000 1.107 437 D HN 0.693 nan 8.370 nan 0.000 0.421 438 N N 0.847 119.530 118.700 -0.027 0.000 2.949 438 N HA 0.100 4.840 4.740 -0.000 0.000 0.243 438 N C 1.370 176.875 175.510 -0.009 0.000 1.113 438 N CA 0.188 53.242 53.050 0.005 0.000 0.980 438 N CB 1.250 39.747 38.487 0.017 0.000 1.256 438 N HN 0.157 nan 8.380 nan 0.000 0.508 439 S N 0.808 116.513 115.700 0.008 0.000 2.462 439 S HA -0.118 4.352 4.470 -0.000 0.000 0.243 439 S C 0.949 175.567 174.600 0.030 0.000 1.003 439 S CA 0.874 59.081 58.200 0.012 0.000 0.970 439 S CB 0.029 63.240 63.200 0.018 0.000 0.762 439 S HN 0.376 nan 8.310 nan 0.000 0.510 440 N N 0.487 119.214 118.700 0.045 0.000 2.187 440 N HA 0.276 5.016 4.740 -0.000 0.000 0.212 440 N C -0.525 175.044 175.510 0.098 0.000 1.152 440 N CA -0.174 52.914 53.050 0.063 0.000 0.872 440 N CB 0.453 38.974 38.487 0.058 0.000 1.025 440 N HN 0.368 nan 8.380 nan 0.000 0.514 441 L N 1.337 122.623 121.223 0.106 0.000 2.360 441 L HA 0.240 4.580 4.340 -0.000 0.000 0.276 441 L C 0.038 177.114 176.870 0.343 0.000 1.121 441 L CA 0.038 54.989 54.840 0.186 0.000 0.845 441 L CB 0.336 42.471 42.059 0.127 0.000 1.143 441 L HN 0.001 nan 8.230 nan 0.000 0.452 442 c N 2.751 121.563 118.600 0.353 0.000 2.768 442 c HA 0.448 5.018 4.570 -0.000 0.000 0.411 442 c C 0.745 175.005 174.090 0.283 0.000 1.793 442 c CA -0.185 56.289 56.329 0.242 0.000 1.747 442 c CB 0.732 43.096 42.510 -0.244 0.000 2.128 442 c HN 0.967 nan 8.230 nan 0.000 0.472 443 Y N -1.936 118.394 120.300 0.051 0.000 4.118 443 Y HA -0.417 4.133 4.550 -0.000 0.000 0.350 443 Y C 1.632 177.367 175.900 -0.276 0.000 1.090 443 Y CA 2.088 60.066 58.100 -0.203 0.000 2.216 443 Y CB -2.369 36.074 38.460 -0.029 0.000 0.986 443 Y HN 0.852 nan 8.280 nan 0.000 0.484 444 Y N 0.708 121.113 120.300 0.175 0.000 2.193 444 Y HA -0.246 4.304 4.550 -0.000 0.000 0.285 444 Y C 2.382 178.423 175.900 0.236 0.000 1.166 444 Y CA 1.950 60.223 58.100 0.289 0.000 1.181 444 Y CB -1.411 37.250 38.460 0.335 0.000 0.976 444 Y HN 0.506 nan 8.280 nan 0.000 0.520 445 H N -0.766 117.769 119.070 -0.892 0.000 2.529 445 H HA 0.081 4.637 4.556 -0.000 0.000 0.277 445 H C 1.839 177.031 175.328 -0.227 0.000 0.999 445 H CA 1.173 56.911 56.048 -0.515 0.000 1.256 445 H CB -0.803 28.525 29.762 -0.723 0.000 1.402 445 H HN 0.430 nan 8.280 nan 0.000 0.566 446 T N -1.105 113.020 114.554 -0.715 0.000 3.088 446 T HA 0.121 4.471 4.350 -0.000 0.000 0.259 446 T C 0.786 175.258 174.700 -0.380 0.000 1.122 446 T CA -0.201 61.623 62.100 -0.459 0.000 1.095 446 T CB -0.418 68.184 68.868 -0.443 0.000 0.930 446 T HN 0.279 nan 8.240 nan 0.000 0.508 447 I N 2.915 123.209 120.570 -0.460 0.000 2.529 447 I HA 0.206 4.376 4.170 -0.000 0.000 0.284 447 I C 0.380 176.107 176.117 -0.650 0.000 1.082 447 I CA -0.556 60.287 61.300 -0.762 0.000 1.406 447 I CB 0.500 37.684 38.000 -1.361 0.000 1.405 447 I HN 0.095 nan 8.210 nan 0.000 0.548 448 N N 5.991 124.342 118.700 -0.580 0.000 2.918 448 N HA 0.097 4.837 4.740 -0.000 0.000 0.247 448 N C 0.390 175.654 175.510 -0.409 0.000 1.117 448 N CA -0.403 52.443 53.050 -0.339 0.000 1.005 448 N CB 0.175 38.524 38.487 -0.230 0.000 1.297 448 N HN 0.453 nan 8.380 nan 0.000 0.513 449 W N 1.280 122.419 121.300 -0.269 0.000 2.331 449 W HA -0.162 4.498 4.660 -0.000 0.000 0.291 449 W C 2.030 178.143 176.519 -0.678 0.000 1.214 449 W CA 0.877 57.948 57.345 -0.457 0.000 1.228 449 W CB -0.650 28.574 29.460 -0.393 0.000 1.135 449 W HN 0.340 nan 8.180 nan 0.000 0.537 450 T N -0.323 114.139 114.554 -0.153 0.000 2.737 450 T HA -0.276 4.074 4.350 -0.000 0.000 0.269 450 T C 1.761 176.410 174.700 -0.084 0.000 1.040 450 T CA 2.340 64.420 62.100 -0.034 0.000 1.142 450 T CB -0.894 68.024 68.868 0.083 0.000 0.861 450 T HN 0.380 nan 8.240 nan 0.000 0.456 451 T N 0.276 114.750 114.554 -0.133 0.000 3.077 451 T HA 0.092 4.442 4.350 -0.000 0.000 0.269 451 T C 1.718 176.365 174.700 -0.089 0.000 1.146 451 T CA 0.644 62.687 62.100 -0.094 0.000 1.091 451 T CB -0.476 68.321 68.868 -0.119 0.000 0.892 451 T HN 0.348 nan 8.240 nan 0.000 0.533 452 L N -1.524 119.591 121.223 -0.180 0.000 2.408 452 L HA 0.411 4.751 4.340 -0.000 0.000 0.215 452 L C 0.849 177.740 176.870 0.036 0.000 1.081 452 L CA -0.210 54.568 54.840 -0.104 0.000 0.840 452 L CB -0.119 41.860 42.059 -0.134 0.000 1.002 452 L HN 0.238 nan 8.230 nan 0.000 0.468 453 F N -0.559 119.449 119.950 0.098 0.000 2.440 453 F HA 0.019 4.546 4.527 -0.000 0.000 0.323 453 F C 1.558 177.389 175.800 0.051 0.000 1.192 453 F CA -0.333 57.712 58.000 0.076 0.000 1.252 453 F CB 0.850 39.896 39.000 0.077 0.000 1.214 453 F HN -0.200 nan 8.300 nan 0.000 0.578 454 S N -1.192 114.663 115.700 0.258 0.000 2.539 454 S HA 0.030 4.500 4.470 -0.000 0.000 0.226 454 S C 0.298 174.955 174.600 0.094 0.000 1.054 454 S CA 0.266 58.547 58.200 0.136 0.000 0.910 454 S CB 0.406 63.664 63.200 0.095 0.000 0.818 454 S HN 0.767 nan 8.310 nan 0.000 0.490 455 T N -0.308 114.286 114.554 0.067 0.000 2.893 455 T HA 0.527 4.877 4.350 -0.000 0.000 0.291 455 T C 1.284 175.983 174.700 -0.002 0.000 1.028 455 T CA -0.881 61.231 62.100 0.019 0.000 0.995 455 T CB 1.163 70.020 68.868 -0.019 0.000 1.051 455 T HN 0.175 nan 8.240 nan 0.000 0.470 456 I N 0.410 120.984 120.570 0.006 0.000 2.315 456 I HA -0.145 4.025 4.170 -0.000 0.000 0.251 456 I C 1.657 177.740 176.117 -0.056 0.000 1.125 456 I CA 1.355 62.657 61.300 0.004 0.000 1.392 456 I CB -0.606 37.399 38.000 0.007 0.000 1.065 456 I HN 0.471 nan 8.210 nan 0.000 0.424 457 N N 1.277 119.925 118.700 -0.086 0.000 2.459 457 N HA -0.061 4.679 4.740 -0.000 0.000 0.181 457 N C 0.396 175.776 175.510 -0.216 0.000 1.046 457 N CA 0.594 53.575 53.050 -0.115 0.000 0.904 457 N CB -0.245 38.188 38.487 -0.089 0.000 0.964 457 N HN 0.666 nan 8.380 nan 0.000 0.444 458 Q N 1.009 120.583 119.800 -0.377 0.000 2.337 458 Q HA 0.192 4.532 4.340 -0.000 0.000 0.270 458 Q C 0.017 175.553 176.000 -0.773 0.000 1.002 458 Q CA 0.293 55.653 55.803 -0.739 0.000 0.888 458 Q CB 0.952 28.895 28.738 -1.325 0.000 1.222 458 Q HN -0.023 nan 8.270 nan 0.000 0.400 459 R N 1.653 121.846 120.500 -0.511 0.000 2.807 459 R HA 0.563 4.903 4.340 -0.000 0.000 0.276 459 R C -0.938 175.333 176.300 -0.048 0.000 0.979 459 R CA -1.068 54.916 56.100 -0.193 0.000 0.928 459 R CB 1.616 31.848 30.300 -0.113 0.000 1.191 459 R HN 0.619 nan 8.270 nan 0.000 0.471 460 I N 0.687 121.285 120.570 0.046 0.000 2.433 460 I HA 0.339 4.509 4.170 -0.000 0.000 0.292 460 I C -1.172 174.788 176.117 -0.261 0.000 1.001 460 I CA -0.621 60.610 61.300 -0.114 0.000 1.119 460 I CB 1.897 39.735 38.000 -0.270 0.000 1.289 460 I HN 0.225 nan 8.210 nan 0.000 0.438 461 V N 8.653 128.299 119.914 -0.446 0.000 2.350 461 V HA 0.468 4.588 4.120 -0.000 0.000 0.285 461 V C -0.260 175.571 176.094 -0.439 0.000 1.014 461 V CA -0.436 61.536 62.300 -0.547 0.000 0.831 461 V CB 1.194 32.325 31.823 -1.152 0.000 1.000 461 V HN 0.620 nan 8.190 nan 0.000 0.433 462 I N 4.367 124.788 120.570 -0.247 0.000 2.410 462 I HA 0.918 5.088 4.170 -0.000 0.000 0.286 462 I C -0.343 175.729 176.117 -0.076 0.000 1.009 462 I CA -0.680 60.536 61.300 -0.139 0.000 1.111 462 I CB 1.566 39.605 38.000 0.064 0.000 1.262 462 I HN 0.767 nan 8.210 nan 0.000 0.443 463 R N 2.888 123.315 120.500 -0.123 0.000 2.728 463 R HA 0.381 4.721 4.340 -0.000 0.000 0.274 463 R C -1.042 175.200 176.300 -0.097 0.000 1.030 463 R CA -0.730 55.326 56.100 -0.075 0.000 0.876 463 R CB 0.929 31.192 30.300 -0.060 0.000 1.259 463 R HN 0.573 nan 8.270 nan 0.000 0.468 464 D N -0.119 120.248 120.400 -0.056 0.000 2.882 464 D HA -0.168 4.472 4.640 -0.000 0.000 0.229 464 D C -0.603 175.648 176.300 -0.081 0.000 1.167 464 D CA 1.255 55.226 54.000 -0.048 0.000 0.759 464 D CB -0.564 40.220 40.800 -0.028 0.000 1.088 464 D HN 0.546 nan 8.370 nan 0.000 0.425 465 N N 0.173 118.778 118.700 -0.157 0.000 2.752 465 N HA 0.285 5.025 4.740 -0.000 0.000 0.316 465 N C 0.486 175.966 175.510 -0.050 0.000 1.343 465 N CA -0.576 52.348 53.050 -0.210 0.000 0.875 465 N CB 0.368 38.460 38.487 -0.659 0.000 1.120 465 N HN -0.062 nan 8.380 nan 0.000 0.562 466 R N 1.750 122.273 120.500 0.038 0.000 2.449 466 R HA 0.035 4.375 4.340 -0.000 0.000 0.296 466 R C -0.087 176.310 176.300 0.163 0.000 1.047 466 R CA 0.156 56.319 56.100 0.106 0.000 1.018 466 R CB -0.272 30.108 30.300 0.133 0.000 0.962 466 R HN 0.347 nan 8.270 nan 0.000 0.428 467 K N 3.541 123.979 120.400 0.064 0.000 2.484 467 K HA -0.033 4.287 4.320 -0.000 0.000 0.280 467 K C 0.856 177.395 176.600 -0.101 0.000 1.013 467 K CA 0.581 56.880 56.287 0.020 0.000 1.029 467 K CB 0.652 33.145 32.500 -0.013 0.000 0.902 467 K HN 0.761 nan 8.250 nan 0.000 0.481 468 A N 4.891 127.567 122.820 -0.241 0.000 1.869 468 A HA -0.268 4.052 4.320 -0.000 0.000 0.218 468 A C 1.693 179.011 177.584 -0.443 0.000 1.203 468 A CA 2.180 53.790 52.037 -0.711 0.000 0.638 468 A CB -0.573 18.038 19.000 -0.647 0.000 0.831 468 A HN 0.935 nan 8.150 nan 0.000 0.450 469 E N -0.091 119.974 120.200 -0.226 0.000 2.160 469 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 469 E C 1.998 178.536 176.600 -0.104 0.000 0.991 469 E CA 1.111 57.431 56.400 -0.134 0.000 0.810 469 E CB -0.288 29.362 29.700 -0.082 0.000 0.742 469 E HN 0.702 nan 8.360 nan 0.000 0.466 470 N N 0.332 118.974 118.700 -0.097 0.000 2.106 470 N HA -0.136 4.604 4.740 -0.000 0.000 0.188 470 N C 1.516 176.986 175.510 -0.068 0.000 1.029 470 N CA 1.299 54.312 53.050 -0.061 0.000 0.848 470 N CB -0.422 38.042 38.487 -0.039 0.000 1.007 470 N HN 0.222 nan 8.380 nan 0.000 0.423 471 c N 0.395 118.933 118.600 -0.104 0.000 2.413 471 c HA -0.092 4.478 4.570 -0.000 0.000 0.277 471 c C 2.804 176.843 174.090 -0.085 0.000 1.228 471 c CA 1.431 57.699 56.329 -0.101 0.000 1.731 471 c CB -1.392 41.053 42.510 -0.108 0.000 2.042 471 c HN 0.545 nan 8.230 nan 0.000 0.468 472 T N 1.134 115.639 114.554 -0.082 0.000 2.708 472 T HA -0.148 4.202 4.350 -0.000 0.000 0.266 472 T C 2.116 176.798 174.700 -0.030 0.000 1.037 472 T CA 1.745 63.823 62.100 -0.037 0.000 1.146 472 T CB -0.544 68.304 68.868 -0.032 0.000 0.865 472 T HN 0.648 nan 8.240 nan 0.000 0.435 473 A N 1.701 124.498 122.820 -0.038 0.000 1.948 473 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 473 A C 2.027 179.602 177.584 -0.014 0.000 1.177 473 A CA 1.424 53.447 52.037 -0.024 0.000 0.636 473 A CB -0.455 18.529 19.000 -0.026 0.000 0.815 473 A HN 0.561 nan 8.150 nan 0.000 0.449 474 E N -1.409 118.780 120.200 -0.018 0.000 2.494 474 E HA 0.232 4.582 4.350 -0.000 0.000 0.193 474 E C 1.032 177.636 176.600 0.007 0.000 1.074 474 E CA 0.339 56.736 56.400 -0.005 0.000 0.867 474 E CB -0.202 29.496 29.700 -0.005 0.000 0.924 474 E HN 0.794 nan 8.360 nan 0.000 0.502 475 G N 1.833 110.636 108.800 0.005 0.000 2.141 475 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.242 475 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.242 475 G C 0.381 175.307 174.900 0.043 0.000 0.982 475 G CA -0.061 45.054 45.100 0.026 0.000 0.662 475 G HN 0.092 nan 8.290 nan 0.000 0.527 476 M N 1.462 121.051 119.600 -0.017 0.000 3.237 476 M HA 0.461 4.941 4.480 -0.000 0.000 0.266 476 M C 0.649 176.896 176.300 -0.088 0.000 1.456 476 M CA -0.574 54.662 55.300 -0.107 0.000 1.593 476 M CB -0.740 31.596 32.600 -0.441 0.000 1.129 476 M HN 0.692 nan 8.290 nan 0.000 0.547 477 V N -1.166 118.815 119.914 0.113 0.000 2.864 477 V HA 0.628 4.748 4.120 -0.000 0.000 0.314 477 V C 0.175 176.372 176.094 0.171 0.000 1.073 477 V CA -1.142 61.218 62.300 0.100 0.000 0.956 477 V CB 1.655 33.511 31.823 0.056 0.000 1.023 477 V HN 0.608 nan 8.190 nan 0.000 0.435 478 c N 3.590 122.247 118.600 0.095 0.000 2.676 478 c HA 0.170 4.740 4.570 -0.000 0.000 0.416 478 c C 1.109 175.221 174.090 0.036 0.000 1.299 478 c CA -0.045 56.312 56.329 0.047 0.000 2.048 478 c CB -0.716 41.775 42.510 -0.033 0.000 2.713 478 c HN 1.082 nan 8.230 nan 0.000 0.624 479 N N 2.220 120.923 118.700 0.004 0.000 2.345 479 N HA -0.086 4.654 4.740 -0.000 0.000 0.243 479 N C 1.497 176.994 175.510 -0.022 0.000 1.246 479 N CA 0.155 53.203 53.050 -0.004 0.000 0.863 479 N CB 0.395 38.838 38.487 -0.073 0.000 1.096 479 N HN 0.913 nan 8.380 nan 0.000 0.446 480 H N 3.112 122.179 119.070 -0.006 0.000 2.489 480 H HA -0.065 4.491 4.556 -0.000 0.000 0.293 480 H C 1.458 176.775 175.328 -0.019 0.000 1.066 480 H CA 0.862 56.903 56.048 -0.011 0.000 1.305 480 H CB -0.092 29.668 29.762 -0.004 0.000 1.386 480 H HN 0.503 nan 8.280 nan 0.000 0.551 481 L N 0.857 121.773 121.223 -0.513 0.000 2.599 481 L HA 0.070 4.410 4.340 -0.000 0.000 0.230 481 L C 0.646 177.414 176.870 -0.170 0.000 1.141 481 L CA -0.352 54.293 54.840 -0.324 0.000 0.877 481 L CB 0.044 41.888 42.059 -0.358 0.000 1.009 481 L HN 0.184 nan 8.230 nan 0.000 0.447 482 c N -0.017 118.499 118.600 -0.139 0.000 2.466 482 c HA 0.363 4.933 4.570 -0.000 0.000 0.379 482 c C 1.395 175.423 174.090 -0.103 0.000 1.251 482 c CA -1.007 55.254 56.329 -0.114 0.000 2.263 482 c CB 1.058 43.501 42.510 -0.111 0.000 2.511 482 c HN 0.503 nan 8.230 nan 0.000 0.573 483 S N 1.437 117.071 115.700 -0.110 0.000 2.661 483 S HA 0.150 4.620 4.470 -0.000 0.000 0.265 483 S C 1.102 175.636 174.600 -0.110 0.000 1.225 483 S CA 0.177 58.315 58.200 -0.104 0.000 0.986 483 S CB 0.540 63.675 63.200 -0.107 0.000 1.008 483 S HN 1.010 nan 8.310 nan 0.000 0.565 484 S N -0.641 114.999 115.700 -0.099 0.000 2.595 484 S HA -0.053 4.417 4.470 -0.000 0.000 0.235 484 S C 0.599 175.116 174.600 -0.138 0.000 0.974 484 S CA 0.660 58.799 58.200 -0.102 0.000 0.942 484 S CB -0.677 62.477 63.200 -0.078 0.000 0.766 484 S HN 0.683 nan 8.310 nan 0.000 0.536 485 D N 1.772 122.074 120.400 -0.163 0.000 2.363 485 D HA 0.287 4.927 4.640 -0.000 0.000 0.220 485 D C 1.354 177.464 176.300 -0.316 0.000 0.994 485 D CA 1.070 54.937 54.000 -0.222 0.000 0.890 485 D CB -0.033 40.639 40.800 -0.213 0.000 0.906 485 D HN 0.659 nan 8.370 nan 0.000 0.530 486 G N -0.137 108.496 108.800 -0.278 0.000 2.660 486 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.247 486 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.247 486 G C -0.178 174.496 174.900 -0.377 0.000 1.328 486 G CA -0.591 44.308 45.100 -0.335 0.000 0.884 486 G HN 0.544 nan 8.290 nan 0.000 0.531 487 c N -4.008 114.348 118.600 -0.408 0.000 3.241 487 c HA 0.798 5.368 4.570 -0.000 0.000 0.312 487 c C 0.597 174.439 174.090 -0.413 0.000 1.350 487 c CA -0.664 55.442 56.329 -0.371 0.000 1.415 487 c CB 0.827 43.235 42.510 -0.170 0.000 1.770 487 c HN 1.082 nan 8.230 nan 0.000 0.466 488 W N 1.336 122.562 121.300 -0.124 0.000 3.197 488 W HA 0.508 5.168 4.660 -0.000 0.000 0.274 488 W C 1.246 177.649 176.519 -0.193 0.000 1.297 488 W CA 0.846 58.140 57.345 -0.085 0.000 1.662 488 W CB 0.319 29.751 29.460 -0.047 0.000 1.106 488 W HN 1.331 nan 8.180 nan 0.000 0.663 489 G N -0.709 107.942 108.800 -0.248 0.000 2.323 489 G HA2 0.178 4.138 3.960 -0.000 0.000 0.291 489 G HA3 0.178 4.138 3.960 -0.000 0.000 0.291 489 G C -3.023 171.445 174.900 -0.719 0.000 1.278 489 G CA -1.163 43.453 45.100 -0.808 0.000 0.860 489 G HN -0.413 nan 8.290 nan 0.000 0.504 490 P HA 0.512 nan 4.420 nan 0.000 0.274 490 P C 0.544 177.768 177.300 -0.128 0.000 1.256 490 P CA 1.273 64.223 63.100 -0.249 0.000 0.795 490 P CB 1.134 32.758 31.700 -0.126 0.000 1.038 491 G N 1.220 109.984 108.800 -0.060 0.000 2.712 491 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.686 491 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.686 491 G C -2.382 172.488 174.900 -0.051 0.000 1.321 491 G CA -0.479 44.596 45.100 -0.042 0.000 0.813 491 G HN 0.308 nan 8.290 nan 0.000 0.599 492 P HA 0.069 nan 4.420 nan 0.000 0.230 492 P C 0.985 178.261 177.300 -0.040 0.000 1.158 492 P CA 1.660 64.720 63.100 -0.065 0.000 0.769 492 P CB 0.099 31.761 31.700 -0.063 0.000 0.807 493 D N -2.051 118.334 120.400 -0.025 0.000 2.368 493 D HA 0.004 4.644 4.640 -0.000 0.000 0.218 493 D C 0.947 177.258 176.300 0.019 0.000 1.112 493 D CA 0.229 54.225 54.000 -0.006 0.000 0.834 493 D CB -0.254 40.541 40.800 -0.008 0.000 0.953 493 D HN 0.074 nan 8.370 nan 0.000 0.505 494 Q N 0.056 119.869 119.800 0.022 0.000 2.139 494 Q HA 0.200 4.540 4.340 -0.000 0.000 0.219 494 Q C -0.044 176.029 176.000 0.121 0.000 0.805 494 Q CA -0.181 55.681 55.803 0.099 0.000 1.024 494 Q CB 0.731 29.490 28.738 0.034 0.000 1.163 494 Q HN 0.280 nan 8.270 nan 0.000 0.485 495 c N 0.618 119.239 118.600 0.034 0.000 2.595 495 c HA 0.240 4.810 4.570 -0.000 0.000 0.384 495 c C 2.313 176.403 174.090 -0.000 0.000 1.289 495 c CA -0.650 55.653 56.329 -0.043 0.000 2.372 495 c CB 0.269 42.738 42.510 -0.068 0.000 2.593 495 c HN 0.380 nan 8.230 nan 0.000 0.639 496 L N 1.323 122.467 121.223 -0.132 0.000 2.095 496 L HA 0.051 4.391 4.340 -0.000 0.000 0.204 496 L C 1.167 178.011 176.870 -0.042 0.000 1.080 496 L CA 1.748 56.535 54.840 -0.088 0.000 0.759 496 L CB -0.738 41.158 42.059 -0.271 0.000 0.914 496 L HN 0.964 nan 8.230 nan 0.000 0.439 497 S N -2.512 113.138 115.700 -0.082 0.000 2.533 497 S HA 0.333 4.803 4.470 -0.000 0.000 0.271 497 S C -0.610 173.941 174.600 -0.083 0.000 1.143 497 S CA -1.140 57.019 58.200 -0.068 0.000 0.891 497 S CB 1.537 64.692 63.200 -0.075 0.000 1.105 497 S HN 0.085 nan 8.310 nan 0.000 0.468 498 c N 2.620 121.175 118.600 -0.076 0.000 2.644 498 c HA 0.446 5.016 4.570 -0.000 0.000 0.417 498 c C 2.222 176.235 174.090 -0.128 0.000 1.304 498 c CA -0.455 55.818 56.329 -0.094 0.000 2.035 498 c CB 0.021 42.485 42.510 -0.076 0.000 2.673 498 c HN 1.178 nan 8.230 nan 0.000 0.602 499 R N 1.103 121.523 120.500 -0.133 0.000 2.115 499 R HA -0.017 4.323 4.340 -0.000 0.000 0.226 499 R C 1.895 178.064 176.300 -0.218 0.000 1.100 499 R CA 1.400 57.414 56.100 -0.143 0.000 0.980 499 R CB 0.063 30.299 30.300 -0.107 0.000 0.875 499 R HN 0.767 nan 8.270 nan 0.000 0.445 500 R N -2.018 118.320 120.500 -0.271 0.000 2.081 500 R HA 0.297 4.637 4.340 -0.000 0.000 0.158 500 R C -0.232 175.532 176.300 -0.895 0.000 1.886 500 R CA 0.125 55.884 56.100 -0.568 0.000 1.479 500 R CB 0.387 30.503 30.300 -0.307 0.000 1.254 500 R HN -0.057 nan 8.270 nan 0.000 0.475 501 F N -0.128 119.803 119.950 -0.032 0.000 2.664 501 F HA 0.417 4.944 4.527 -0.000 0.000 0.317 501 F C -0.411 175.361 175.800 -0.047 0.000 1.108 501 F CA -1.022 56.955 58.000 -0.040 0.000 0.957 501 F CB 2.050 41.026 39.000 -0.040 0.000 1.365 501 F HN 0.069 nan 8.300 nan 0.000 0.475 502 S N 0.438 116.234 115.700 0.160 0.000 2.570 502 S HA 0.813 5.283 4.470 -0.000 0.000 0.286 502 S C -1.216 173.399 174.600 0.025 0.000 1.099 502 S CA -0.999 57.237 58.200 0.060 0.000 0.913 502 S CB 2.541 65.754 63.200 0.021 0.000 1.085 502 S HN 0.786 nan 8.310 nan 0.000 0.480 503 R N 0.751 121.252 120.500 0.001 0.000 2.545 503 R HA 0.561 4.901 4.340 -0.000 0.000 0.289 503 R C 0.744 177.029 176.300 -0.025 0.000 1.327 503 R CA 0.671 56.755 56.100 -0.026 0.000 1.040 503 R CB 0.280 30.563 30.300 -0.028 0.000 1.176 503 R HN 1.543 nan 8.270 nan 0.000 0.518 504 G N 3.207 111.989 108.800 -0.030 0.000 2.523 504 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.271 504 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.271 504 G C 0.240 175.132 174.900 -0.013 0.000 1.146 504 G CA 0.079 45.164 45.100 -0.024 0.000 0.961 504 G HN 0.591 nan 8.290 nan 0.000 0.549 505 R N 0.060 120.554 120.500 -0.010 0.000 2.359 505 R HA 0.379 4.719 4.340 -0.000 0.000 0.231 505 R C 0.563 176.861 176.300 -0.003 0.000 0.913 505 R CA 0.079 56.178 56.100 -0.002 0.000 1.075 505 R CB 0.236 30.535 30.300 -0.001 0.000 1.087 505 R HN 0.447 nan 8.270 nan 0.000 0.515 506 I N 0.563 121.129 120.570 -0.007 0.000 2.359 506 I HA 0.190 4.360 4.170 -0.000 0.000 0.294 506 I C 0.087 176.199 176.117 -0.009 0.000 0.987 506 I CA -0.861 60.433 61.300 -0.010 0.000 1.225 506 I CB 1.733 39.727 38.000 -0.010 0.000 1.366 506 I HN -0.056 nan 8.210 nan 0.000 0.466 507 c N 7.154 125.741 118.600 -0.022 0.000 2.452 507 c HA 0.606 5.176 4.570 -0.000 0.000 0.379 507 c C 0.409 174.486 174.090 -0.021 0.000 1.275 507 c CA -0.371 55.942 56.329 -0.027 0.000 2.056 507 c CB -0.508 41.964 42.510 -0.064 0.000 2.506 507 c HN 0.648 nan 8.230 nan 0.000 0.560 508 I N 0.278 120.862 120.570 0.024 0.000 3.264 508 I HA 0.568 4.738 4.170 -0.000 0.000 0.315 508 I C 0.663 176.848 176.117 0.112 0.000 1.154 508 I CA -0.664 60.666 61.300 0.050 0.000 0.962 508 I CB 1.511 39.547 38.000 0.061 0.000 1.265 508 I HN 0.476 nan 8.210 nan 0.000 0.463 509 E N 1.999 122.273 120.200 0.123 0.000 2.072 509 E HA 0.020 4.370 4.350 -0.000 0.000 0.190 509 E C 0.170 176.951 176.600 0.301 0.000 0.982 509 E CA 1.565 58.069 56.400 0.175 0.000 0.803 509 E CB 0.169 29.952 29.700 0.139 0.000 0.755 509 E HN 0.820 nan 8.360 nan 0.000 0.453 510 S N -2.272 113.543 115.700 0.193 0.000 2.567 510 S HA 0.455 4.925 4.470 -0.000 0.000 0.270 510 S C -0.539 173.958 174.600 -0.171 0.000 1.152 510 S CA -0.899 57.307 58.200 0.010 0.000 0.835 510 S CB 0.473 63.682 63.200 0.016 0.000 1.115 510 S HN 0.152 nan 8.310 nan 0.000 0.459 511 c N 1.923 120.250 118.600 -0.454 0.000 2.500 511 c HA 0.461 5.031 4.570 -0.000 0.000 0.367 511 c C 0.882 174.847 174.090 -0.208 0.000 1.283 511 c CA -0.710 55.425 56.329 -0.322 0.000 2.456 511 c CB -0.407 41.838 42.510 -0.441 0.000 2.457 511 c HN 0.891 nan 8.230 nan 0.000 0.632 512 N N 2.064 120.682 118.700 -0.137 0.000 3.027 512 N HA 0.080 4.820 4.740 -0.000 0.000 0.309 512 N C 0.944 176.362 175.510 -0.153 0.000 1.222 512 N CA 0.164 53.160 53.050 -0.089 0.000 1.187 512 N CB -0.100 38.370 38.487 -0.028 0.000 1.458 512 N HN 0.565 nan 8.380 nan 0.000 0.535 513 L N -0.374 120.689 121.223 -0.266 0.000 2.044 513 L HA -0.087 4.253 4.340 -0.000 0.000 0.205 513 L C 0.778 177.287 176.870 -0.601 0.000 1.075 513 L CA 1.236 55.763 54.840 -0.522 0.000 0.747 513 L CB -0.239 41.307 42.059 -0.855 0.000 0.903 513 L HN 0.383 nan 8.230 nan 0.000 0.435 514 Y N -0.744 119.544 120.300 -0.020 0.000 2.481 514 Y HA 0.182 4.732 4.550 -0.000 0.000 0.247 514 Y C -0.227 175.664 175.900 -0.015 0.000 1.151 514 Y CA -1.056 57.036 58.100 -0.013 0.000 1.238 514 Y CB 0.205 38.659 38.460 -0.010 0.000 1.179 514 Y HN 0.308 nan 8.280 nan 0.000 0.524 515 D N -2.155 118.292 120.400 0.077 0.000 2.725 515 D HA 0.575 5.215 4.640 -0.000 0.000 0.292 515 D C -0.183 176.127 176.300 0.016 0.000 1.288 515 D CA -0.366 53.662 54.000 0.047 0.000 0.784 515 D CB 1.051 41.889 40.800 0.063 0.000 1.308 515 D HN 0.183 nan 8.370 nan 0.000 0.429 516 G N -0.743 108.062 108.800 0.008 0.000 2.576 516 G HA2 0.030 3.990 3.960 -0.000 0.000 0.686 516 G HA3 0.030 3.990 3.960 -0.000 0.000 0.686 516 G C 0.275 175.164 174.900 -0.018 0.000 1.242 516 G CA -0.001 45.107 45.100 0.013 0.000 0.819 516 G HN 0.770 nan 8.290 nan 0.000 0.655 517 E N -0.549 119.646 120.200 -0.008 0.000 2.070 517 E HA -0.069 4.281 4.350 -0.000 0.000 0.197 517 E C 0.268 176.645 176.600 -0.373 0.000 1.004 517 E CA 1.129 57.438 56.400 -0.152 0.000 0.805 517 E CB -0.023 29.651 29.700 -0.043 0.000 0.744 517 E HN 0.375 nan 8.360 nan 0.000 0.451 518 F N 1.001 120.942 119.950 -0.015 0.000 2.427 518 F HA 0.368 4.895 4.527 -0.000 0.000 0.348 518 F C 0.159 175.942 175.800 -0.028 0.000 1.125 518 F CA -1.054 56.935 58.000 -0.018 0.000 0.989 518 F CB 1.237 40.228 39.000 -0.016 0.000 1.165 518 F HN -0.232 nan 8.300 nan 0.000 0.442 519 R N 2.534 123.080 120.500 0.077 0.000 2.641 519 R HA 0.382 4.722 4.340 -0.000 0.000 0.269 519 R C -0.204 176.125 176.300 0.049 0.000 1.074 519 R CA -0.191 55.926 56.100 0.028 0.000 1.133 519 R CB 0.576 30.869 30.300 -0.011 0.000 1.029 519 R HN 0.729 nan 8.270 nan 0.000 0.488 520 E N 0.558 120.754 120.200 -0.007 0.000 2.423 520 E HA 0.503 4.853 4.350 -0.000 0.000 0.269 520 E C -0.950 175.656 176.600 0.009 0.000 0.948 520 E CA -0.756 55.633 56.400 -0.018 0.000 0.802 520 E CB 1.822 31.449 29.700 -0.123 0.000 1.339 520 E HN 0.430 nan 8.360 nan 0.000 0.445 521 F N -1.236 118.649 119.950 -0.108 0.000 2.620 521 F HA 0.566 5.093 4.527 -0.000 0.000 0.320 521 F C -0.845 174.896 175.800 -0.098 0.000 1.069 521 F CA -1.119 56.814 58.000 -0.111 0.000 0.953 521 F CB 1.096 40.050 39.000 -0.077 0.000 1.322 521 F HN 0.275 nan 8.300 nan 0.000 0.479 522 E N 0.490 120.632 120.200 -0.097 0.000 2.166 522 E HA 0.249 4.599 4.350 -0.000 0.000 0.275 522 E C -1.608 174.989 176.600 -0.005 0.000 0.941 522 E CA -0.807 55.496 56.400 -0.162 0.000 0.784 522 E CB 1.838 31.488 29.700 -0.084 0.000 1.115 522 E HN 0.830 nan 8.360 nan 0.000 0.399 523 N N 4.020 122.662 118.700 -0.096 0.000 2.816 523 N HA -0.008 4.732 4.740 -0.000 0.000 0.236 523 N C -0.699 174.846 175.510 0.058 0.000 1.076 523 N CA -0.224 52.851 53.050 0.042 0.000 0.902 523 N CB 0.318 38.802 38.487 -0.004 0.000 1.149 523 N HN 0.625 nan 8.380 nan 0.000 0.506 524 D N 2.669 123.128 120.400 0.098 0.000 2.737 524 D HA -0.228 4.412 4.640 -0.000 0.000 0.238 524 D C 0.275 176.622 176.300 0.078 0.000 1.157 524 D CA 1.625 55.675 54.000 0.083 0.000 0.694 524 D CB -1.209 39.624 40.800 0.055 0.000 1.021 524 D HN 0.874 nan 8.370 nan 0.000 0.420 525 S N -2.387 113.414 115.700 0.169 0.000 2.596 525 S HA -0.276 4.194 4.470 -0.000 0.000 0.260 525 S C 0.505 175.237 174.600 0.221 0.000 1.282 525 S CA 0.952 59.270 58.200 0.198 0.000 1.357 525 S CB -1.991 61.191 63.200 -0.031 0.000 1.674 525 S HN 0.512 nan 8.310 nan 0.000 0.641 526 I N 2.454 123.082 120.570 0.098 0.000 2.331 526 I HA 0.395 4.565 4.170 -0.000 0.000 0.292 526 I C 0.499 176.556 176.117 -0.099 0.000 0.998 526 I CA -0.801 60.504 61.300 0.007 0.000 1.267 526 I CB 1.270 39.250 38.000 -0.032 0.000 1.386 526 I HN 0.334 nan 8.210 nan 0.000 0.476 527 c N 6.780 125.310 118.600 -0.116 0.000 2.394 527 c HA 0.460 5.030 4.570 -0.000 0.000 0.362 527 c C 0.438 174.352 174.090 -0.292 0.000 1.268 527 c CA -0.628 55.559 56.329 -0.235 0.000 1.828 527 c CB -0.317 42.092 42.510 -0.170 0.000 2.442 527 c HN 0.434 nan 8.230 nan 0.000 0.549 528 V N 3.998 123.598 119.914 -0.522 0.000 2.555 528 V HA 0.319 4.439 4.120 -0.000 0.000 0.302 528 V C 0.077 176.004 176.094 -0.277 0.000 1.038 528 V CA -0.612 61.410 62.300 -0.463 0.000 0.887 528 V CB 1.567 32.957 31.823 -0.721 0.000 0.991 528 V HN 0.812 nan 8.190 nan 0.000 0.434 529 E N 1.770 121.929 120.200 -0.069 0.000 2.360 529 E HA 0.177 4.527 4.350 -0.000 0.000 0.269 529 E C -0.430 176.274 176.600 0.174 0.000 1.022 529 E CA -0.391 56.041 56.400 0.052 0.000 0.887 529 E CB 0.829 30.553 29.700 0.041 0.000 0.990 529 E HN 0.682 nan 8.360 nan 0.000 0.426 530 c N 2.660 121.372 118.600 0.187 0.000 2.700 530 c HA -0.011 4.559 4.570 -0.000 0.000 0.397 530 c C 1.001 175.153 174.090 0.103 0.000 1.301 530 c CA -0.603 55.820 56.329 0.156 0.000 2.219 530 c CB -0.126 42.431 42.510 0.077 0.000 2.699 530 c HN 0.723 nan 8.230 nan 0.000 0.669 531 D N 1.832 122.261 120.400 0.048 0.000 2.472 531 D HA 0.004 4.644 4.640 -0.000 0.000 0.237 531 D C -1.501 174.829 176.300 0.049 0.000 1.141 531 D CA -0.604 53.419 54.000 0.039 0.000 0.875 531 D CB 0.923 41.722 40.800 -0.002 0.000 1.192 531 D HN 0.279 nan 8.370 nan 0.000 0.450 532 P HA -0.089 nan 4.420 nan 0.000 0.222 532 P C 0.925 178.257 177.300 0.055 0.000 1.147 532 P CA 0.749 63.897 63.100 0.079 0.000 0.790 532 P CB 0.288 32.047 31.700 0.097 0.000 0.780 533 Q N -1.452 118.376 119.800 0.046 0.000 2.435 533 Q HA -0.006 4.334 4.340 -0.000 0.000 0.207 533 Q C 0.312 176.303 176.000 -0.015 0.000 0.956 533 Q CA 0.370 56.200 55.803 0.045 0.000 0.917 533 Q CB -0.959 27.814 28.738 0.058 0.000 0.997 533 Q HN 0.256 nan 8.270 nan 0.000 0.497 534 c N 2.384 120.968 118.600 -0.027 0.000 2.576 534 c HA 0.157 4.727 4.570 -0.000 0.000 0.401 534 c C 1.048 175.096 174.090 -0.070 0.000 1.314 534 c CA -1.022 55.273 56.329 -0.056 0.000 1.855 534 c CB -0.616 41.860 42.510 -0.057 0.000 2.537 534 c HN 0.350 nan 8.230 nan 0.000 0.578 535 E N 2.613 122.757 120.200 -0.093 0.000 2.373 535 E HA 0.080 4.430 4.350 -0.000 0.000 0.267 535 E C -0.204 176.350 176.600 -0.076 0.000 1.032 535 E CA -0.203 56.133 56.400 -0.107 0.000 0.889 535 E CB 0.537 30.163 29.700 -0.123 0.000 0.984 535 E HN 0.553 nan 8.360 nan 0.000 0.425 536 K N 4.197 124.551 120.400 -0.076 0.000 2.349 536 K HA 0.133 4.453 4.320 -0.000 0.000 0.288 536 K C -0.274 176.300 176.600 -0.043 0.000 1.058 536 K CA -0.206 56.045 56.287 -0.060 0.000 0.953 536 K CB 0.567 33.023 32.500 -0.073 0.000 0.997 536 K HN 0.411 nan 8.250 nan 0.000 0.477 537 M N 3.008 122.595 119.600 -0.023 0.000 2.264 537 M HA 0.241 4.721 4.480 -0.000 0.000 0.352 537 M C 0.374 176.687 176.300 0.021 0.000 1.173 537 M CA -0.319 54.980 55.300 -0.002 0.000 1.075 537 M CB 1.076 33.684 32.600 0.012 0.000 1.621 537 M HN 0.456 nan 8.290 nan 0.000 0.457 538 E N 1.170 121.381 120.200 0.018 0.000 2.518 538 E HA 0.361 4.710 4.350 -0.000 0.000 0.248 538 E C -0.327 176.295 176.600 0.036 0.000 1.028 538 E CA -0.420 55.997 56.400 0.028 0.000 0.922 538 E CB 0.517 30.221 29.700 0.007 0.000 1.299 538 E HN 0.604 nan 8.360 nan 0.000 0.457 539 D N -0.645 119.769 120.400 0.022 0.000 2.911 539 D HA -0.167 4.473 4.640 -0.000 0.000 0.227 539 D C 0.704 177.003 176.300 -0.002 0.000 1.164 539 D CA 1.549 55.552 54.000 0.004 0.000 0.782 539 D CB -1.445 39.355 40.800 -0.000 0.000 1.094 539 D HN 0.776 nan 8.370 nan 0.000 0.425 540 G N -1.218 107.597 108.800 0.024 0.000 2.131 540 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.223 540 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.223 540 G C 0.099 175.103 174.900 0.173 0.000 0.990 540 G CA 0.143 45.226 45.100 -0.029 0.000 0.671 540 G HN 0.464 nan 8.290 nan 0.000 0.521 541 L N 0.806 122.155 121.223 0.210 0.000 2.309 541 L HA 0.601 4.941 4.340 -0.000 0.000 0.282 541 L C 1.205 178.184 176.870 0.182 0.000 1.036 541 L CA -1.117 53.835 54.840 0.186 0.000 0.806 541 L CB 1.371 43.483 42.059 0.087 0.000 1.220 541 L HN 0.015 nan 8.230 nan 0.000 0.429 542 L N 1.841 123.135 121.223 0.118 0.000 2.473 542 L HA 0.112 4.452 4.340 -0.000 0.000 0.268 542 L C 1.184 178.051 176.870 -0.006 0.000 1.215 542 L CA 0.109 54.933 54.840 -0.026 0.000 0.823 542 L CB 0.630 42.675 42.059 -0.023 0.000 1.099 542 L HN 0.693 nan 8.230 nan 0.000 0.483 543 T N -0.624 113.905 114.554 -0.042 0.000 3.037 543 T HA 0.100 4.450 4.350 -0.000 0.000 0.251 543 T C 0.026 174.689 174.700 -0.062 0.000 1.079 543 T CA 0.226 62.304 62.100 -0.037 0.000 1.067 543 T CB -0.021 68.824 68.868 -0.038 0.000 0.948 543 T HN 0.822 nan 8.240 nan 0.000 0.496 544 c N 1.130 119.682 118.600 -0.079 0.000 3.275 544 c HA 0.672 5.242 4.570 -0.000 0.000 0.340 544 c C -0.586 173.378 174.090 -0.210 0.000 1.366 544 c CA -1.137 55.052 56.329 -0.233 0.000 1.227 544 c CB 0.598 42.961 42.510 -0.245 0.000 1.512 544 c HN 0.605 nan 8.230 nan 0.000 0.461 545 H N -0.160 118.803 119.070 -0.178 0.000 2.665 545 H HA 0.703 5.259 4.556 -0.000 0.000 0.248 545 H C 0.239 175.331 175.328 -0.395 0.000 1.175 545 H CA 0.067 56.008 56.048 -0.178 0.000 0.952 545 H CB 0.276 29.978 29.762 -0.100 0.000 1.883 545 H HN 1.738 nan 8.280 nan 0.000 0.623 546 G N 0.155 108.367 108.800 -0.980 0.000 2.320 546 G HA2 0.255 4.215 3.960 -0.000 0.000 0.297 546 G HA3 0.255 4.215 3.960 -0.000 0.000 0.297 546 G C -3.367 170.687 174.900 -1.409 0.000 1.344 546 G CA -1.061 43.202 45.100 -1.395 0.000 0.851 546 G HN 0.068 nan 8.290 nan 0.000 0.567 547 P HA 0.579 nan 4.420 nan 0.000 0.279 547 P C 0.528 177.728 177.300 -0.167 0.000 1.252 547 P CA 1.040 63.989 63.100 -0.252 0.000 0.811 547 P CB 1.596 33.335 31.700 0.065 0.000 1.035 548 G N 2.187 110.944 108.800 -0.072 0.000 2.730 548 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.686 548 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.686 548 G C -2.090 172.766 174.900 -0.073 0.000 1.343 548 G CA -0.335 44.732 45.100 -0.056 0.000 0.826 548 G HN 0.436 nan 8.290 nan 0.000 0.582 549 P HA 0.053 nan 4.420 nan 0.000 0.239 549 P C 0.660 177.930 177.300 -0.050 0.000 1.184 549 P CA 1.674 64.754 63.100 -0.034 0.000 0.760 549 P CB 0.097 31.798 31.700 0.001 0.000 0.884 550 D N -2.079 118.282 120.400 -0.064 0.000 2.395 550 D HA 0.021 4.661 4.640 -0.000 0.000 0.213 550 D C 0.662 176.911 176.300 -0.085 0.000 1.110 550 D CA -0.083 53.882 54.000 -0.058 0.000 0.835 550 D CB -0.783 39.997 40.800 -0.034 0.000 0.965 550 D HN -0.058 nan 8.370 nan 0.000 0.505 551 N N 0.014 118.598 118.700 -0.193 0.000 2.235 551 N HA 0.125 4.865 4.740 -0.000 0.000 0.231 551 N C -0.483 174.627 175.510 -0.667 0.000 1.177 551 N CA -0.247 52.537 53.050 -0.443 0.000 0.874 551 N CB 0.463 38.653 38.487 -0.495 0.000 1.097 551 N HN 0.163 nan 8.380 nan 0.000 0.518 552 c N -0.158 118.258 118.600 -0.306 0.000 2.500 552 c HA 0.232 4.801 4.570 -0.000 0.000 0.367 552 c C 2.276 176.313 174.090 -0.088 0.000 1.283 552 c CA -0.260 55.946 56.329 -0.205 0.000 2.456 552 c CB 1.053 43.498 42.510 -0.108 0.000 2.457 552 c HN 0.349 nan 8.230 nan 0.000 0.632 553 T N 0.155 114.687 114.554 -0.037 0.000 2.894 553 T HA -0.002 4.348 4.350 -0.000 0.000 0.258 553 T C 0.500 175.204 174.700 0.007 0.000 1.043 553 T CA 1.104 63.229 62.100 0.042 0.000 1.141 553 T CB -0.012 68.876 68.868 0.034 0.000 0.873 553 T HN 0.704 nan 8.240 nan 0.000 0.449 554 K N 0.005 120.389 120.400 -0.027 0.000 2.498 554 K HA 0.456 4.776 4.320 -0.000 0.000 0.254 554 K C -1.587 174.971 176.600 -0.069 0.000 0.933 554 K CA -0.735 55.526 56.287 -0.044 0.000 0.806 554 K CB 1.810 34.282 32.500 -0.047 0.000 1.301 554 K HN 0.049 nan 8.250 nan 0.000 0.432 555 c N 2.500 121.054 118.600 -0.077 0.000 2.536 555 c HA 0.134 4.704 4.570 -0.000 0.000 0.396 555 c C 1.992 175.981 174.090 -0.169 0.000 1.279 555 c CA -0.292 55.980 56.329 -0.095 0.000 2.148 555 c CB 0.656 43.125 42.510 -0.069 0.000 2.584 555 c HN 0.977 nan 8.230 nan 0.000 0.579 556 S N 1.422 116.984 115.700 -0.229 0.000 2.414 556 S HA -0.074 4.396 4.470 -0.000 0.000 0.227 556 S C 0.861 175.020 174.600 -0.735 0.000 1.022 556 S CA 1.037 58.968 58.200 -0.448 0.000 0.958 556 S CB -0.223 62.680 63.200 -0.495 0.000 0.797 556 S HN 0.924 nan 8.310 nan 0.000 0.493 557 H N -0.443 118.520 119.070 -0.178 0.000 3.977 557 H HA 0.573 5.129 4.556 -0.000 0.000 0.161 557 H C -0.377 174.588 175.328 -0.604 0.000 1.259 557 H CA -0.302 55.517 56.048 -0.382 0.000 1.319 557 H CB 0.044 29.692 29.762 -0.191 0.000 1.481 557 H HN 0.265 nan 8.280 nan 0.000 0.404 558 F N -0.083 119.942 119.950 0.126 0.000 2.631 558 F HA 0.506 5.033 4.527 -0.000 0.000 0.350 558 F C -0.271 175.532 175.800 0.004 0.000 1.080 558 F CA -0.883 57.141 58.000 0.040 0.000 1.026 558 F CB 1.509 40.526 39.000 0.028 0.000 1.347 558 F HN -0.071 nan 8.300 nan 0.000 0.501 559 K N 1.062 121.572 120.400 0.183 0.000 2.565 559 K HA 0.266 4.586 4.320 -0.000 0.000 0.249 559 K C -2.221 174.377 176.600 -0.004 0.000 0.958 559 K CA -0.589 55.730 56.287 0.053 0.000 0.806 559 K CB 1.563 34.059 32.500 -0.007 0.000 1.194 559 K HN 0.602 nan 8.250 nan 0.000 0.434 560 D N 3.414 123.818 120.400 0.007 0.000 2.381 560 D HA 0.452 5.092 4.640 -0.000 0.000 0.235 560 D C 0.735 176.959 176.300 -0.128 0.000 1.068 560 D CA 1.056 55.076 54.000 0.033 0.000 0.832 560 D CB 1.244 42.150 40.800 0.178 0.000 1.101 560 D HN 0.786 nan 8.370 nan 0.000 0.515 561 G N 5.154 113.667 108.800 -0.479 0.000 2.622 561 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.307 561 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.307 561 G C -1.386 173.150 174.900 -0.605 0.000 1.226 561 G CA 0.231 44.520 45.100 -1.353 0.000 0.997 561 G HN 0.581 nan 8.290 nan 0.000 0.551 562 P HA 0.176 nan 4.420 nan 0.000 0.261 562 P C -0.146 177.087 177.300 -0.111 0.000 1.268 562 P CA 0.268 63.241 63.100 -0.211 0.000 0.833 562 P CB 0.139 31.750 31.700 -0.149 0.000 1.231 563 N N 0.293 118.943 118.700 -0.085 0.000 2.421 563 N HA 0.132 4.872 4.740 -0.000 0.000 0.285 563 N C -0.321 175.193 175.510 0.008 0.000 1.027 563 N CA -0.267 52.775 53.050 -0.013 0.000 0.918 563 N CB 0.972 39.484 38.487 0.042 0.000 1.152 563 N HN 0.005 nan 8.380 nan 0.000 0.485 564 c N 2.195 120.799 118.600 0.007 0.000 2.629 564 c HA 0.405 4.975 4.570 -0.000 0.000 0.410 564 c C 1.011 175.143 174.090 0.070 0.000 1.339 564 c CA -0.686 55.660 56.329 0.028 0.000 1.810 564 c CB -1.128 41.383 42.510 0.001 0.000 2.549 564 c HN 0.473 nan 8.230 nan 0.000 0.589 565 V N 1.813 121.799 119.914 0.121 0.000 3.040 565 V HA 0.572 4.692 4.120 -0.000 0.000 0.312 565 V C 0.455 176.678 176.094 0.215 0.000 1.115 565 V CA -0.593 61.792 62.300 0.142 0.000 0.998 565 V CB 1.807 33.708 31.823 0.129 0.000 1.042 565 V HN 0.680 nan 8.190 nan 0.000 0.433 566 E N 1.095 121.389 120.200 0.157 0.000 2.152 566 E HA 0.090 4.440 4.350 -0.000 0.000 0.192 566 E C 0.576 177.297 176.600 0.202 0.000 0.983 566 E CA 1.508 57.971 56.400 0.105 0.000 0.818 566 E CB 0.187 29.885 29.700 -0.003 0.000 0.758 566 E HN 0.729 nan 8.360 nan 0.000 0.467 567 K N -1.292 119.206 120.400 0.164 0.000 2.578 567 K HA 0.277 4.597 4.320 -0.000 0.000 0.269 567 K C -1.425 175.123 176.600 -0.087 0.000 0.941 567 K CA -0.770 55.539 56.287 0.037 0.000 0.847 567 K CB 1.043 33.516 32.500 -0.045 0.000 1.397 567 K HN 0.011 nan 8.250 nan 0.000 0.422 568 c N 3.126 121.549 118.600 -0.295 0.000 2.676 568 c HA 0.186 4.756 4.570 -0.000 0.000 0.416 568 c C -2.079 171.911 174.090 -0.167 0.000 1.299 568 c CA -0.768 55.436 56.329 -0.209 0.000 2.048 568 c CB -0.479 41.855 42.510 -0.293 0.000 2.713 568 c HN 0.554 nan 8.230 nan 0.000 0.624 569 P HA 0.013 nan 4.420 nan 0.000 0.259 569 P C -0.630 176.548 177.300 -0.204 0.000 1.163 569 P CA 1.006 63.942 63.100 -0.274 0.000 0.760 569 P CB 0.225 31.622 31.700 -0.504 0.000 0.762 570 D N 3.115 123.393 120.400 -0.202 0.000 2.468 570 D HA 0.391 5.031 4.640 -0.000 0.000 0.272 570 D C 0.593 176.732 176.300 -0.270 0.000 1.221 570 D CA -0.155 53.777 54.000 -0.113 0.000 0.860 570 D CB -0.624 40.176 40.800 0.000 0.000 1.190 570 D HN 0.480 nan 8.370 nan 0.000 0.509 571 G N 2.095 110.392 108.800 -0.838 0.000 2.164 571 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.212 571 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.212 571 G C -0.007 174.657 174.900 -0.392 0.000 1.031 571 G CA -0.143 44.419 45.100 -0.896 0.000 0.730 571 G HN 0.469 nan 8.290 nan 0.000 0.501 572 L N 0.043 121.076 121.223 -0.316 0.000 2.397 572 L HA 0.418 4.758 4.340 -0.000 0.000 0.271 572 L C 1.064 178.001 176.870 0.112 0.000 1.148 572 L CA -0.747 54.036 54.840 -0.095 0.000 0.825 572 L CB 1.113 43.036 42.059 -0.228 0.000 1.117 572 L HN 0.268 nan 8.230 nan 0.000 0.456 573 Q N 2.071 121.977 119.800 0.177 0.000 2.263 573 Q HA 0.231 4.571 4.340 -0.000 0.000 0.270 573 Q C 0.205 176.235 176.000 0.050 0.000 1.104 573 Q CA 0.191 56.052 55.803 0.097 0.000 0.909 573 Q CB 1.060 29.833 28.738 0.058 0.000 1.214 573 Q HN 0.663 nan 8.270 nan 0.000 0.400 574 G N 2.063 110.865 108.800 0.003 0.000 2.494 574 G HA2 0.426 4.386 3.960 -0.000 0.000 0.270 574 G HA3 0.426 4.386 3.960 -0.000 0.000 0.270 574 G C 0.230 175.128 174.900 -0.004 0.000 1.423 574 G CA -0.073 45.060 45.100 0.055 0.000 1.055 574 G HN 0.779 nan 8.290 nan 0.000 0.536 575 A N -1.225 121.599 122.820 0.007 0.000 1.997 575 A HA 0.148 4.468 4.320 -0.000 0.000 0.212 575 A C 1.829 179.393 177.584 -0.032 0.000 1.178 575 A CA 1.069 53.099 52.037 -0.012 0.000 0.698 575 A CB 0.048 19.053 19.000 0.008 0.000 0.842 575 A HN 0.483 nan 8.150 nan 0.000 0.458 576 N N -1.040 117.643 118.700 -0.028 0.000 2.239 576 N HA 0.089 4.829 4.740 -0.000 0.000 0.208 576 N C 0.027 175.505 175.510 -0.054 0.000 1.200 576 N CA 0.993 54.024 53.050 -0.032 0.000 0.895 576 N CB 0.868 39.352 38.487 -0.004 0.000 1.085 576 N HN 0.514 nan 8.380 nan 0.000 0.500 577 S N -0.778 114.885 115.700 -0.062 0.000 2.636 577 S HA 0.525 4.995 4.470 -0.000 0.000 0.268 577 S C -1.027 173.523 174.600 -0.084 0.000 1.159 577 S CA -0.878 57.278 58.200 -0.074 0.000 0.815 577 S CB 0.784 64.017 63.200 0.056 0.000 1.130 577 S HN -0.029 nan 8.310 nan 0.000 0.471 578 F N 0.901 120.903 119.950 0.087 0.000 2.459 578 F HA 0.426 4.953 4.527 -0.000 0.000 0.346 578 F C 0.449 176.199 175.800 -0.082 0.000 1.128 578 F CA -0.416 57.568 58.000 -0.026 0.000 1.268 578 F CB 0.537 39.551 39.000 0.024 0.000 1.161 578 F HN 0.340 nan 8.300 nan 0.000 0.583 579 I N 3.536 124.050 120.570 -0.093 0.000 2.378 579 I HA 0.307 4.477 4.170 -0.000 0.000 0.291 579 I C -0.659 175.203 176.117 -0.425 0.000 0.992 579 I CA -0.774 60.437 61.300 -0.147 0.000 1.154 579 I CB 0.874 38.756 38.000 -0.197 0.000 1.315 579 I HN 0.357 nan 8.210 nan 0.000 0.448 580 F N 5.194 125.156 119.950 0.019 0.000 2.551 580 F HA 0.588 5.115 4.527 -0.000 0.000 0.316 580 F C 0.303 176.115 175.800 0.021 0.000 1.089 580 F CA -0.675 57.329 58.000 0.008 0.000 0.915 580 F CB 2.112 41.131 39.000 0.032 0.000 1.186 580 F HN 0.230 nan 8.300 nan 0.000 0.456 581 K N 1.626 122.132 120.400 0.177 0.000 2.509 581 K HA 0.531 4.851 4.320 -0.000 0.000 0.266 581 K C -1.655 175.038 176.600 0.155 0.000 0.987 581 K CA -1.087 55.281 56.287 0.135 0.000 0.868 581 K CB 3.236 35.727 32.500 -0.015 0.000 1.421 581 K HN 0.679 nan 8.250 nan 0.000 0.444 582 Y N -1.813 118.512 120.300 0.042 0.000 2.630 582 Y HA 0.830 5.380 4.550 -0.000 0.000 0.337 582 Y C -1.023 174.885 175.900 0.013 0.000 1.051 582 Y CA -1.368 56.742 58.100 0.016 0.000 1.121 582 Y CB 1.328 39.817 38.460 0.049 0.000 1.299 582 Y HN 0.537 nan 8.280 nan 0.000 0.498 583 A N 1.632 124.416 122.820 -0.059 0.000 2.324 583 A HA 0.552 4.872 4.320 -0.000 0.000 0.330 583 A C -1.031 176.627 177.584 0.123 0.000 1.165 583 A CA -0.598 51.390 52.037 -0.083 0.000 0.813 583 A CB 0.238 19.227 19.000 -0.019 0.000 1.197 583 A HN 0.851 nan 8.150 nan 0.000 0.484 584 D N 1.858 122.343 120.400 0.142 0.000 2.411 584 D HA 0.403 5.043 4.640 -0.000 0.000 0.251 584 D C -2.226 174.199 176.300 0.208 0.000 1.201 584 D CA -1.687 52.466 54.000 0.255 0.000 0.996 584 D CB -0.158 40.798 40.800 0.260 0.000 1.101 584 D HN 0.150 nan 8.370 nan 0.000 0.504 585 P HA -0.078 nan 4.420 nan 0.000 0.223 585 P C 0.331 177.702 177.300 0.119 0.000 1.144 585 P CA 1.076 64.259 63.100 0.138 0.000 0.783 585 P CB -0.051 31.712 31.700 0.105 0.000 0.771 586 D N -1.482 118.988 120.400 0.117 0.000 2.342 586 D HA 0.053 4.693 4.640 -0.000 0.000 0.221 586 D C 0.248 176.600 176.300 0.086 0.000 1.101 586 D CA -0.210 53.840 54.000 0.083 0.000 0.837 586 D CB -0.041 40.799 40.800 0.068 0.000 0.938 586 D HN 0.026 nan 8.370 nan 0.000 0.508 587 R N -0.140 120.455 120.500 0.157 0.000 3.908 587 R HA -0.124 4.216 4.340 -0.000 0.000 0.381 587 R C -0.666 175.775 176.300 0.236 0.000 1.135 587 R CA 0.723 56.978 56.100 0.258 0.000 0.990 587 R CB -1.981 28.324 30.300 0.009 0.000 1.557 587 R HN 0.397 nan 8.270 nan 0.000 0.535 588 E N 0.128 120.387 120.200 0.098 0.000 2.277 588 E HA 0.344 4.694 4.350 -0.000 0.000 0.274 588 E C -0.211 176.198 176.600 -0.318 0.000 1.022 588 E CA -0.661 55.700 56.400 -0.065 0.000 0.853 588 E CB 1.359 31.036 29.700 -0.037 0.000 1.086 588 E HN 0.131 nan 8.360 nan 0.000 0.397 589 c N 2.886 121.229 118.600 -0.429 0.000 2.365 589 c HA 0.436 5.006 4.570 -0.000 0.000 0.351 589 c C -0.118 173.454 174.090 -0.862 0.000 1.240 589 c CA -0.713 55.307 56.329 -0.515 0.000 2.062 589 c CB -0.436 41.947 42.510 -0.213 0.000 2.387 589 c HN 0.660 nan 8.230 nan 0.000 0.537 590 H N 0.584 119.443 119.070 -0.352 0.000 2.895 590 H HA 0.402 4.958 4.556 -0.000 0.000 0.373 590 H C -2.668 172.631 175.328 -0.049 0.000 1.174 590 H CA -1.748 54.167 56.048 -0.222 0.000 1.144 590 H CB 1.390 30.946 29.762 -0.343 0.000 1.793 590 H HN 0.277 nan 8.280 nan 0.000 0.551 591 P HA 0.001 nan 4.420 nan 0.000 0.267 591 P C 0.041 177.554 177.300 0.355 0.000 1.200 591 P CA 0.009 63.254 63.100 0.242 0.000 0.772 591 P CB 0.551 32.363 31.700 0.187 0.000 0.855 592 c N 2.177 120.956 118.600 0.297 0.000 2.480 592 c HA 0.180 4.750 4.570 -0.000 0.000 0.358 592 c C 1.005 175.192 174.090 0.161 0.000 1.309 592 c CA -0.207 56.270 56.329 0.247 0.000 2.465 592 c CB -0.645 41.978 42.510 0.188 0.000 2.379 592 c HN 0.595 nan 8.230 nan 0.000 0.642 593 H N 1.705 120.782 119.070 0.011 0.000 2.815 593 H HA 0.083 4.639 4.556 -0.000 0.000 0.350 593 H C -1.645 173.683 175.328 -0.000 0.000 1.080 593 H CA -0.928 55.114 56.048 -0.011 0.000 1.433 593 H CB 0.798 30.516 29.762 -0.073 0.000 1.432 593 H HN 0.356 nan 8.280 nan 0.000 0.592 594 P HA -0.151 nan 4.420 nan 0.000 0.221 594 P C 0.774 178.199 177.300 0.209 0.000 1.141 594 P CA 1.136 64.314 63.100 0.130 0.000 0.794 594 P CB 0.424 32.136 31.700 0.020 0.000 0.764 595 N N -1.515 117.394 118.700 0.349 0.000 2.333 595 N HA -0.040 4.700 4.740 -0.000 0.000 0.178 595 N C 0.173 175.670 175.510 -0.022 0.000 1.018 595 N CA 0.483 53.586 53.050 0.088 0.000 0.882 595 N CB -0.805 37.630 38.487 -0.086 0.000 0.984 595 N HN 0.134 nan 8.380 nan 0.000 0.434 596 c N 2.850 121.400 118.600 -0.084 0.000 2.894 596 c HA 0.093 4.663 4.570 -0.000 0.000 0.430 596 c C 1.752 175.611 174.090 -0.385 0.000 1.048 596 c CA -0.400 55.757 56.329 -0.287 0.000 1.158 596 c CB -2.364 39.959 42.510 -0.313 0.000 1.634 596 c HN 0.366 nan 8.230 nan 0.000 0.565 597 T N -1.455 112.928 114.554 -0.285 0.000 3.317 597 T HA 0.042 4.392 4.350 -0.000 0.000 0.250 597 T C 0.776 175.102 174.700 -0.624 0.000 1.106 597 T CA 0.653 62.597 62.100 -0.260 0.000 0.986 597 T CB -0.280 68.594 68.868 0.009 0.000 1.010 597 T HN 0.791 nan 8.240 nan 0.000 0.560 598 Q N 0.013 119.178 119.800 -1.059 0.000 2.028 598 Q HA 0.448 4.788 4.340 -0.000 0.000 0.207 598 Q C 0.550 175.889 176.000 -1.101 0.000 0.776 598 Q CA -0.239 54.842 55.803 -1.202 0.000 1.015 598 Q CB 1.461 29.507 28.738 -1.154 0.000 1.215 598 Q HN 0.693 nan 8.270 nan 0.000 0.445 599 G N 0.817 108.757 108.800 -1.434 0.000 2.541 599 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.686 599 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.686 599 G C -0.635 174.042 174.900 -0.371 0.000 1.286 599 G CA -0.627 44.138 45.100 -0.559 0.000 0.894 599 G HN 0.527 nan 8.290 nan 0.000 0.575 600 c N -1.491 117.028 118.600 -0.134 0.000 3.321 600 c HA 0.865 5.435 4.570 -0.000 0.000 0.329 600 c C 0.528 174.580 174.090 -0.064 0.000 1.394 600 c CA -0.281 55.960 56.329 -0.147 0.000 1.291 600 c CB 1.436 43.867 42.510 -0.132 0.000 1.606 600 c HN 1.241 nan 8.230 nan 0.000 0.463 601 N N -0.212 118.413 118.700 -0.125 0.000 2.235 601 N HA 0.469 5.209 4.740 -0.000 0.000 0.231 601 N C 0.236 175.637 175.510 -0.183 0.000 1.177 601 N CA 0.721 53.721 53.050 -0.084 0.000 0.874 601 N CB 0.723 39.169 38.487 -0.069 0.000 1.097 601 N HN 1.271 nan 8.380 nan 0.000 0.518 602 G N 0.324 108.842 108.800 -0.471 0.000 2.315 602 G HA2 0.087 4.047 3.960 -0.000 0.000 0.294 602 G HA3 0.087 4.047 3.960 -0.000 0.000 0.294 602 G C -2.725 171.563 174.900 -1.020 0.000 1.300 602 G CA -0.569 44.006 45.100 -0.874 0.000 0.843 602 G HN -0.163 nan 8.290 nan 0.000 0.527 603 P HA 0.120 nan 4.420 nan 0.000 0.220 603 P C 1.042 178.306 177.300 -0.059 0.000 1.152 603 P CA 1.098 64.038 63.100 -0.266 0.000 0.812 603 P CB 0.065 31.736 31.700 -0.047 0.000 0.792 604 T N -0.648 113.875 114.554 -0.052 0.000 2.849 604 T HA 0.143 4.493 4.350 -0.000 0.000 0.284 604 T C 1.430 176.101 174.700 -0.049 0.000 1.004 604 T CA -0.031 62.098 62.100 0.048 0.000 1.021 604 T CB 0.751 69.660 68.868 0.069 0.000 1.013 604 T HN 0.028 nan 8.240 nan 0.000 0.527 605 S N 0.344 115.902 115.700 -0.236 0.000 2.474 605 S HA -0.151 4.319 4.470 -0.000 0.000 0.235 605 S C 1.287 175.628 174.600 -0.431 0.000 0.997 605 S CA 0.704 58.528 58.200 -0.627 0.000 0.949 605 S CB -0.517 62.066 63.200 -1.029 0.000 0.766 605 S HN 0.718 nan 8.310 nan 0.000 0.517 606 H N 1.319 120.296 119.070 -0.155 0.000 2.547 606 H HA 0.199 4.755 4.556 -0.000 0.000 0.266 606 H C 0.401 175.653 175.328 -0.128 0.000 0.988 606 H CA 0.678 56.655 56.048 -0.118 0.000 1.147 606 H CB 0.000 29.714 29.762 -0.081 0.000 1.365 606 H HN 0.565 nan 8.280 nan 0.000 0.589 607 D N -0.112 120.236 120.400 -0.086 0.000 2.398 607 D HA 0.028 4.668 4.640 -0.000 0.000 0.210 607 D C 0.391 176.564 176.300 -0.211 0.000 1.094 607 D CA -0.031 53.890 54.000 -0.131 0.000 0.839 607 D CB 0.325 41.025 40.800 -0.166 0.000 0.963 607 D HN 0.120 nan 8.370 nan 0.000 0.506 608 c N 1.917 120.352 118.600 -0.274 0.000 2.538 608 c HA 0.100 4.670 4.570 -0.000 0.000 0.408 608 c C 0.875 174.615 174.090 -0.582 0.000 1.421 608 c CA -0.022 56.029 56.329 -0.463 0.000 1.642 608 c CB -0.862 41.333 42.510 -0.525 0.000 2.553 608 c HN 0.193 nan 8.230 nan 0.000 0.604 609 I N 3.108 123.274 120.570 -0.673 0.000 2.569 609 I HA 0.435 4.605 4.170 -0.000 0.000 0.296 609 I C -0.775 174.850 176.117 -0.819 0.000 1.028 609 I CA -0.560 60.407 61.300 -0.556 0.000 1.082 609 I CB 1.520 39.356 38.000 -0.273 0.000 1.264 609 I HN 0.572 nan 8.210 nan 0.000 0.429 610 Y N 3.418 123.560 120.300 -0.263 0.000 2.468 610 Y HA 0.403 4.953 4.550 -0.000 0.000 0.342 610 Y C -0.404 175.299 175.900 -0.327 0.000 1.021 610 Y CA -0.939 56.919 58.100 -0.404 0.000 1.079 610 Y CB 1.012 39.264 38.460 -0.347 0.000 1.226 610 Y HN 0.262 nan 8.280 nan 0.000 0.460 611 Y N 2.614 122.765 120.300 -0.248 0.000 2.981 611 Y HA -0.095 4.455 4.550 -0.000 0.000 0.359 611 Y C -1.550 174.081 175.900 -0.449 0.000 1.271 611 Y CA -1.609 56.164 58.100 -0.544 0.000 1.617 611 Y CB -0.340 37.330 38.460 -1.315 0.000 1.154 611 Y HN 0.492 nan 8.280 nan 0.000 0.570 612 P HA -0.125 nan 4.420 nan 0.000 0.223 612 P C 0.577 177.927 177.300 0.083 0.000 1.151 612 P CA 1.309 64.439 63.100 0.050 0.000 0.787 612 P CB 0.089 31.882 31.700 0.155 0.000 0.788 613 W N -0.267 121.087 121.300 0.091 0.000 3.221 613 W HA 0.477 5.137 4.660 -0.000 0.000 0.436 613 W C -0.820 175.743 176.519 0.072 0.000 0.913 613 W CA -0.310 57.066 57.345 0.052 0.000 2.004 613 W CB -1.678 27.787 29.460 0.008 0.000 1.007 613 W HN -0.166 nan 8.180 nan 0.000 0.838 614 T N 0.000 114.497 114.554 -0.095 0.000 3.816 614 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 614 T CA 0.000 62.030 62.100 -0.117 0.000 1.349 614 T CB 0.000 68.868 68.868 0.000 0.000 0.612 614 T HN 0.000 nan 8.240 nan 0.000 0.658