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 3ol2_1_B DATA FIRST_RESID 23 DATA SEQUENCE LPPTAFTPNG TYLQHLARDP TSGTLYLGAT NFLFQLSPGL QLEATVSTGP DATA SEQUENCE VLDSRDcLPP VMPDEcPQAQ PTNNPNQLLL VSPGALVVcG SVHQGVcEQR DATA SEQUENCE RLGQLEQLLL RPERPGDTQY VAANDPAVST VGLVAQGLAG EPLLFVGRGY DATA SEQUENCE TSXXXGGGIP PITTRALWPP DPQAAFSYEE TAKLAVGRLS EYSHHFVSAF DATA SEQUENCE ARGASAYFLF LRRDLQAQSR AFRAYVSRVc LRDQHYYSYV ELPLAcEGGR DATA SEQUENCE YGLIQAAAVA TSXXXAHGEV LFAAFSSAAP XXXXXPPSAA AGASGASALc DATA SEQUENCE AFPLDEVDRL ANRTRDAcYT REGRAEDGTE VAYIEYDVNS DcAQLPVDTL DATA SEQUENCE DAYPcGSDHT PSPMASRVPL EATPILEWPG IQLTAVAVTM EDGHTIAFLG DATA SEQUENCE DSQGQLHRVY LGPGSDGHPY STQSIQQGSA VSRDLTFDGT FEHLYVMTQS DATA SEQUENCE TLLKVPVASc AQHLDcAScL AHRDPYcGWc VLLGRcSRRS EcSXXXXPEQ DATA SEQUENCE WLWSFQPELG c 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 23 L HA 0.000 nan 4.340 nan 0.000 0.249 23 L C 0.000 176.861 176.870 -0.016 0.000 1.165 23 L CA 0.000 54.833 54.840 -0.012 0.000 0.813 23 L CB 0.000 42.052 42.059 -0.011 0.000 0.961 24 P HA 0.458 nan 4.420 nan 0.000 0.286 24 P C -2.629 174.659 177.300 -0.022 0.000 1.261 24 P CA -1.082 62.003 63.100 -0.026 0.000 0.821 24 P CB 0.078 31.755 31.700 -0.040 0.000 1.013 25 P HA 0.036 nan 4.420 nan 0.000 0.266 25 P C 0.638 177.936 177.300 -0.004 0.000 1.193 25 P CA 0.176 63.275 63.100 -0.001 0.000 0.770 25 P CB 0.346 32.058 31.700 0.020 0.000 0.836 26 T N -0.520 114.035 114.554 0.002 0.000 2.990 26 T HA 0.472 4.827 4.350 0.007 0.000 0.250 26 T C 0.211 174.922 174.700 0.019 0.000 1.041 26 T CA 0.364 62.464 62.100 0.001 0.000 1.010 26 T CB -0.007 68.860 68.868 -0.001 0.000 1.003 26 T HN 0.548 nan 8.240 nan 0.000 0.499 27 A N 0.591 123.429 122.820 0.030 0.000 2.556 27 A HA 0.741 5.066 4.320 0.007 0.000 0.294 27 A C -2.027 175.614 177.584 0.094 0.000 1.091 27 A CA -0.648 51.417 52.037 0.047 0.000 0.704 27 A CB 1.212 20.214 19.000 0.004 0.000 1.300 27 A HN 0.280 nan 8.150 nan 0.000 0.406 28 F N 1.257 121.165 119.950 -0.071 0.000 2.553 28 F HA 0.611 5.144 4.527 0.009 0.000 0.335 28 F C -0.405 175.315 175.800 -0.133 0.000 1.148 28 F CA -0.092 57.835 58.000 -0.123 0.000 0.963 28 F CB 2.157 41.075 39.000 -0.136 0.000 1.217 28 F HN 0.354 nan 8.300 nan 0.000 0.441 29 T N 7.408 121.508 114.554 -0.755 0.000 3.150 29 T HA 0.314 4.668 4.350 0.007 0.000 0.383 29 T C -2.654 171.565 174.700 -0.801 0.000 1.313 29 T CA -1.048 60.697 62.100 -0.593 0.000 1.235 29 T CB 0.615 69.293 68.868 -0.316 0.000 1.088 29 T HN 0.324 nan 8.240 nan 0.000 0.556 30 P HA 0.197 nan 4.420 nan 0.000 0.276 30 P C -0.487 176.551 177.300 -0.437 0.000 1.230 30 P CA -0.519 62.093 63.100 -0.815 0.000 0.776 30 P CB 0.739 31.982 31.700 -0.762 0.000 0.888 31 N N 0.875 119.362 118.700 -0.355 0.000 2.498 31 N HA 0.249 4.993 4.740 0.007 0.000 0.287 31 N C 0.751 176.154 175.510 -0.178 0.000 1.097 31 N CA -0.057 52.851 53.050 -0.237 0.000 0.973 31 N CB 0.712 39.088 38.487 -0.185 0.000 1.153 31 N HN 0.689 nan 8.380 nan 0.000 0.472 32 G N -0.429 108.294 108.800 -0.128 0.000 2.221 32 G HA2 -0.236 3.728 3.960 0.007 0.000 0.265 32 G HA3 -0.236 3.728 3.960 0.007 0.000 0.265 32 G C -0.081 174.839 174.900 0.034 0.000 1.041 32 G CA 0.870 45.949 45.100 -0.035 0.000 0.807 32 G HN 1.026 nan 8.290 nan 0.000 0.502 33 T N -1.776 112.727 114.554 -0.085 0.000 2.769 33 T HA 0.627 4.982 4.350 0.007 0.000 0.306 33 T C -1.708 172.882 174.700 -0.184 0.000 1.400 33 T CA -0.583 61.536 62.100 0.032 0.000 1.007 33 T CB 1.190 70.228 68.868 0.283 0.000 1.392 33 T HN 0.454 nan 8.240 nan 0.000 0.500 34 Y N 1.016 121.393 120.300 0.128 0.000 2.446 34 Y HA 0.669 5.221 4.550 0.004 0.000 0.345 34 Y C -0.038 175.934 175.900 0.119 0.000 0.984 34 Y CA -0.973 57.182 58.100 0.093 0.000 1.058 34 Y CB 1.578 40.075 38.460 0.061 0.000 1.220 34 Y HN 0.461 nan 8.280 nan 0.000 0.455 35 L N 2.757 124.139 121.223 0.266 0.000 2.350 35 L HA 0.338 4.683 4.340 0.007 0.000 0.275 35 L C 0.255 177.192 176.870 0.112 0.000 1.099 35 L CA -0.047 54.918 54.840 0.208 0.000 0.808 35 L CB 1.356 43.536 42.059 0.203 0.000 1.149 35 L HN 0.754 nan 8.230 nan 0.000 0.442 36 Q N 0.330 120.151 119.800 0.035 0.000 2.619 36 Q HA 0.262 4.606 4.340 0.007 0.000 0.230 36 Q C -0.360 175.410 176.000 -0.384 0.000 0.871 36 Q CA 0.505 56.184 55.803 -0.206 0.000 0.934 36 Q CB 0.757 29.342 28.738 -0.255 0.000 1.183 36 Q HN 0.469 nan 8.270 nan 0.000 0.631 37 H N -1.039 118.107 119.070 0.127 0.000 2.865 37 H HA 0.589 5.150 4.556 0.008 0.000 0.372 37 H C -1.483 173.917 175.328 0.120 0.000 1.173 37 H CA -0.878 55.240 56.048 0.115 0.000 1.147 37 H CB 1.971 31.793 29.762 0.099 0.000 1.805 37 H HN 0.027 nan 8.280 nan 0.000 0.553 38 L N 1.179 122.556 121.223 0.258 0.000 2.408 38 L HA 0.731 5.075 4.340 0.007 0.000 0.268 38 L C -1.215 175.735 176.870 0.133 0.000 0.986 38 L CA -0.457 54.477 54.840 0.158 0.000 0.820 38 L CB 1.657 43.781 42.059 0.109 0.000 1.303 38 L HN 0.761 nan 8.230 nan 0.000 0.411 39 A N 4.865 127.756 122.820 0.118 0.000 2.408 39 A HA 0.733 5.057 4.320 0.007 0.000 0.295 39 A C -1.148 176.500 177.584 0.106 0.000 1.040 39 A CA -0.687 51.421 52.037 0.119 0.000 0.707 39 A CB 1.268 20.351 19.000 0.139 0.000 1.235 39 A HN 0.720 nan 8.150 nan 0.000 0.418 40 R N 1.666 122.196 120.500 0.051 0.000 2.407 40 R HA 0.366 4.711 4.340 0.007 0.000 0.303 40 R C -1.330 175.010 176.300 0.067 0.000 0.981 40 R CA -0.494 55.601 56.100 -0.009 0.000 0.905 40 R CB 1.022 31.279 30.300 -0.072 0.000 1.099 40 R HN 0.733 nan 8.270 nan 0.000 0.459 41 D N 5.512 125.957 120.400 0.075 0.000 2.339 41 D HA 0.175 4.820 4.640 0.007 0.000 0.241 41 D C -1.716 174.612 176.300 0.046 0.000 1.183 41 D CA -2.374 51.688 54.000 0.103 0.000 0.859 41 D CB 1.775 42.675 40.800 0.168 0.000 1.067 41 D HN 0.294 nan 8.370 nan 0.000 0.484 42 P HA -0.137 nan 4.420 nan 0.000 0.216 42 P C 1.116 178.435 177.300 0.031 0.000 1.150 42 P CA 1.189 64.315 63.100 0.044 0.000 0.843 42 P CB 0.209 31.949 31.700 0.066 0.000 0.787 43 T N -0.254 114.320 114.554 0.033 0.000 2.564 43 T HA -0.139 4.215 4.350 0.007 0.000 0.259 43 T C 1.946 176.655 174.700 0.015 0.000 1.087 43 T CA 2.390 64.505 62.100 0.024 0.000 1.184 43 T CB -1.083 67.800 68.868 0.025 0.000 0.864 43 T HN 0.263 nan 8.240 nan 0.000 0.403 44 S N 0.026 115.734 115.700 0.013 0.000 2.503 44 S HA 0.398 4.872 4.470 0.007 0.000 0.217 44 S C 1.908 176.493 174.600 -0.025 0.000 0.999 44 S CA 0.676 58.874 58.200 -0.003 0.000 0.914 44 S CB 0.102 63.303 63.200 0.002 0.000 0.782 44 S HN 0.906 nan 8.310 nan 0.000 0.520 45 G N 0.997 109.780 108.800 -0.029 0.000 2.199 45 G HA2 -0.248 3.716 3.960 0.007 0.000 0.254 45 G HA3 -0.248 3.716 3.960 0.007 0.000 0.254 45 G C 0.191 175.011 174.900 -0.133 0.000 0.982 45 G CA 0.149 45.213 45.100 -0.059 0.000 0.632 45 G HN 0.652 nan 8.290 nan 0.000 0.529 46 T N 2.031 116.497 114.554 -0.147 0.000 2.908 46 T HA 0.459 4.814 4.350 0.007 0.000 0.301 46 T C 0.691 175.136 174.700 -0.425 0.000 1.019 46 T CA 0.339 62.259 62.100 -0.300 0.000 1.152 46 T CB 1.094 69.784 68.868 -0.297 0.000 0.966 46 T HN 0.445 nan 8.240 nan 0.000 0.540 47 L N 3.021 123.907 121.223 -0.562 0.000 2.334 47 L HA 0.605 4.949 4.340 0.007 0.000 0.275 47 L C -0.787 175.669 176.870 -0.690 0.000 1.036 47 L CA -1.129 53.406 54.840 -0.508 0.000 0.807 47 L CB 0.809 42.577 42.059 -0.486 0.000 1.231 47 L HN 0.597 nan 8.230 nan 0.000 0.438 48 Y N 2.233 122.484 120.300 -0.081 0.000 2.462 48 Y HA 0.652 5.207 4.550 0.007 0.000 0.346 48 Y C -0.656 175.257 175.900 0.023 0.000 0.976 48 Y CA -0.778 57.310 58.100 -0.020 0.000 1.044 48 Y CB 2.015 40.473 38.460 -0.003 0.000 1.230 48 Y HN 0.277 nan 8.280 nan 0.000 0.455 49 L N 2.035 123.386 121.223 0.214 0.000 2.381 49 L HA 0.706 5.050 4.340 0.007 0.000 0.274 49 L C 0.163 177.166 176.870 0.223 0.000 0.988 49 L CA -0.343 54.642 54.840 0.240 0.000 0.824 49 L CB 2.123 44.386 42.059 0.340 0.000 1.263 49 L HN 0.828 nan 8.230 nan 0.000 0.410 50 G N 2.416 111.345 108.800 0.214 0.000 2.356 50 G HA2 0.677 4.641 3.960 0.007 0.000 0.312 50 G HA3 0.677 4.641 3.960 0.007 0.000 0.312 50 G C -0.645 174.353 174.900 0.162 0.000 1.096 50 G CA 0.080 45.282 45.100 0.170 0.000 0.950 50 G HN 0.771 nan 8.290 nan 0.000 0.428 51 A N 2.362 125.261 122.820 0.131 0.000 2.435 51 A HA 0.842 5.167 4.320 0.007 0.000 0.296 51 A C 0.373 178.050 177.584 0.155 0.000 1.147 51 A CA -0.659 51.495 52.037 0.194 0.000 0.775 51 A CB 1.028 20.222 19.000 0.323 0.000 1.340 51 A HN 0.532 nan 8.150 nan 0.000 0.427 52 T N 2.964 117.642 114.554 0.206 0.000 2.751 52 T HA 0.187 4.541 4.350 0.007 0.000 0.279 52 T C 0.287 175.045 174.700 0.097 0.000 0.941 52 T CA 0.748 62.937 62.100 0.148 0.000 1.192 52 T CB -0.577 68.413 68.868 0.204 0.000 0.883 52 T HN 0.682 nan 8.240 nan 0.000 0.534 53 N N 0.776 119.421 118.700 -0.091 0.000 2.828 53 N HA -0.167 4.577 4.740 0.007 0.000 0.248 53 N C -0.730 174.363 175.510 -0.696 0.000 1.044 53 N CA 1.146 53.982 53.050 -0.357 0.000 0.851 53 N CB -1.422 36.805 38.487 -0.433 0.000 1.136 53 N HN 0.577 nan 8.380 nan 0.000 0.572 54 F N -0.005 119.852 119.950 -0.156 0.000 2.631 54 F HA 0.632 5.162 4.527 0.006 0.000 0.308 54 F C -0.078 175.428 175.800 -0.491 0.000 1.097 54 F CA -0.643 57.133 58.000 -0.373 0.000 0.952 54 F CB 1.584 40.234 39.000 -0.583 0.000 1.307 54 F HN -0.234 nan 8.300 nan 0.000 0.450 55 L N 2.759 123.776 121.223 -0.343 0.000 2.410 55 L HA 0.599 4.943 4.340 0.007 0.000 0.270 55 L C -1.514 175.165 176.870 -0.318 0.000 0.983 55 L CA -0.582 54.106 54.840 -0.254 0.000 0.822 55 L CB 1.913 43.940 42.059 -0.054 0.000 1.285 55 L HN 0.435 nan 8.230 nan 0.000 0.409 56 F N 1.092 121.123 119.950 0.134 0.000 2.546 56 F HA 0.500 5.030 4.527 0.006 0.000 0.320 56 F C 0.079 175.857 175.800 -0.037 0.000 1.076 56 F CA -0.666 57.352 58.000 0.031 0.000 0.928 56 F CB 1.845 40.810 39.000 -0.059 0.000 1.189 56 F HN 0.339 nan 8.300 nan 0.000 0.465 57 Q N 2.755 122.611 119.800 0.094 0.000 2.333 57 Q HA 0.663 5.007 4.340 0.007 0.000 0.268 57 Q C -1.896 173.970 176.000 -0.223 0.000 1.007 57 Q CA -0.734 54.996 55.803 -0.122 0.000 0.810 57 Q CB 1.564 30.287 28.738 -0.025 0.000 1.264 57 Q HN 0.671 nan 8.270 nan 0.000 0.452 58 L N 1.740 122.743 121.223 -0.367 0.000 2.333 58 L HA 0.493 4.837 4.340 0.007 0.000 0.269 58 L C 0.155 176.837 176.870 -0.313 0.000 1.010 58 L CA -0.384 54.243 54.840 -0.355 0.000 0.818 58 L CB 1.964 43.751 42.059 -0.453 0.000 1.306 58 L HN 0.724 nan 8.230 nan 0.000 0.430 59 S N 0.959 116.526 115.700 -0.222 0.000 2.608 59 S HA 0.358 4.832 4.470 0.007 0.000 0.261 59 S C -1.986 172.512 174.600 -0.169 0.000 1.314 59 S CA -0.790 57.308 58.200 -0.170 0.000 0.992 59 S CB 0.552 63.685 63.200 -0.112 0.000 0.935 59 S HN 0.527 nan 8.310 nan 0.000 0.564 60 P HA 0.145 nan 4.420 nan 0.000 0.230 60 P C 0.938 178.240 177.300 0.003 0.000 1.158 60 P CA 0.938 63.999 63.100 -0.066 0.000 0.769 60 P CB -0.335 31.347 31.700 -0.031 0.000 0.807 61 G N -0.934 107.837 108.800 -0.047 0.000 3.448 61 G HA2 0.142 4.107 3.960 0.007 0.000 0.261 61 G HA3 0.142 4.107 3.960 0.007 0.000 0.261 61 G C 0.402 175.276 174.900 -0.043 0.000 1.173 61 G CA -0.236 44.833 45.100 -0.052 0.000 0.835 61 G HN 0.048 nan 8.290 nan 0.000 0.534 62 L N -1.397 119.794 121.223 -0.053 0.000 4.696 62 L HA -0.180 4.165 4.340 0.007 0.000 0.425 62 L C 0.810 177.617 176.870 -0.105 0.000 1.115 62 L CA 0.694 55.486 54.840 -0.080 0.000 0.996 62 L CB -1.777 40.288 42.059 0.010 0.000 2.077 62 L HN 0.396 nan 8.230 nan 0.000 0.792 63 Q N -0.121 119.620 119.800 -0.098 0.000 2.286 63 Q HA 0.430 4.774 4.340 0.007 0.000 0.267 63 Q C 0.128 176.054 176.000 -0.124 0.000 1.028 63 Q CA -0.218 55.538 55.803 -0.079 0.000 0.901 63 Q CB 0.930 29.631 28.738 -0.061 0.000 1.183 63 Q HN 0.256 nan 8.270 nan 0.000 0.392 64 L N 3.357 124.522 121.223 -0.097 0.000 2.477 64 L HA -0.048 4.297 4.340 0.007 0.000 0.272 64 L C 0.377 177.211 176.870 -0.060 0.000 1.157 64 L CA 1.181 55.953 54.840 -0.114 0.000 0.889 64 L CB 0.299 42.352 42.059 -0.010 0.000 1.158 64 L HN 0.757 nan 8.230 nan 0.000 0.473 65 E N 4.127 124.288 120.200 -0.066 0.000 2.332 65 E HA 0.395 4.749 4.350 0.007 0.000 0.202 65 E C -0.182 176.428 176.600 0.017 0.000 0.877 65 E CA 0.389 56.770 56.400 -0.031 0.000 0.979 65 E CB 0.560 30.224 29.700 -0.060 0.000 0.969 65 E HN 0.690 nan 8.360 nan 0.000 0.495 66 A N 0.843 123.692 122.820 0.048 0.000 2.594 66 A HA 0.604 4.928 4.320 0.007 0.000 0.295 66 A C -1.058 176.632 177.584 0.177 0.000 1.071 66 A CA -0.589 51.507 52.037 0.099 0.000 0.685 66 A CB 1.949 21.003 19.000 0.089 0.000 1.285 66 A HN -0.037 nan 8.150 nan 0.000 0.405 67 T N 0.911 115.579 114.554 0.190 0.000 2.881 67 T HA 0.605 4.960 4.350 0.007 0.000 0.290 67 T C -1.063 173.732 174.700 0.158 0.000 1.000 67 T CA -0.439 61.808 62.100 0.246 0.000 0.978 67 T CB 1.478 70.551 68.868 0.341 0.000 0.997 67 T HN 0.734 nan 8.240 nan 0.000 0.443 68 V N 2.254 122.227 119.914 0.099 0.000 2.588 68 V HA 0.593 4.718 4.120 0.007 0.000 0.304 68 V C 0.196 176.295 176.094 0.009 0.000 1.042 68 V CA -0.780 61.552 62.300 0.053 0.000 0.877 68 V CB 2.098 33.936 31.823 0.024 0.000 0.996 68 V HN 0.943 nan 8.190 nan 0.000 0.425 69 S N 2.445 118.126 115.700 -0.032 0.000 2.545 69 S HA 0.323 4.797 4.470 0.007 0.000 0.275 69 S C 1.038 175.533 174.600 -0.175 0.000 1.299 69 S CA 0.331 58.415 58.200 -0.193 0.000 1.048 69 S CB 1.101 64.194 63.200 -0.179 0.000 0.938 69 S HN 1.067 nan 8.310 nan 0.000 0.496 70 T N 1.148 115.552 114.554 -0.250 0.000 3.003 70 T HA 0.564 4.919 4.350 0.007 0.000 0.261 70 T C 0.691 175.292 174.700 -0.166 0.000 1.003 70 T CA 0.387 62.389 62.100 -0.164 0.000 0.917 70 T CB 0.143 68.934 68.868 -0.127 0.000 1.084 70 T HN 0.968 nan 8.240 nan 0.000 0.522 71 G N 1.700 110.366 108.800 -0.223 0.000 2.325 71 G HA2 0.515 4.479 3.960 0.007 0.000 0.295 71 G HA3 0.515 4.479 3.960 0.007 0.000 0.295 71 G C -3.248 171.535 174.900 -0.196 0.000 1.274 71 G CA -0.809 44.184 45.100 -0.180 0.000 0.857 71 G HN 0.083 nan 8.290 nan 0.000 0.499 72 P HA 0.436 nan 4.420 nan 0.000 0.271 72 P C -0.038 177.207 177.300 -0.091 0.000 1.233 72 P CA 0.007 63.045 63.100 -0.104 0.000 0.789 72 P CB 1.374 33.032 31.700 -0.071 0.000 0.951 73 V N -1.395 118.457 119.914 -0.103 0.000 3.040 73 V HA 0.477 4.602 4.120 0.007 0.000 0.312 73 V C -0.388 175.676 176.094 -0.051 0.000 1.115 73 V CA -1.317 60.941 62.300 -0.070 0.000 0.998 73 V CB 1.751 33.501 31.823 -0.122 0.000 1.042 73 V HN 0.283 nan 8.190 nan 0.000 0.433 74 L N 2.835 124.066 121.223 0.013 0.000 2.369 74 L HA 0.580 4.925 4.340 0.007 0.000 0.279 74 L C -0.370 176.519 176.870 0.032 0.000 1.108 74 L CA 0.652 55.500 54.840 0.013 0.000 0.852 74 L CB 0.553 42.626 42.059 0.022 0.000 1.169 74 L HN 0.897 nan 8.230 nan 0.000 0.452 75 D N 1.556 121.945 120.400 -0.019 0.000 2.596 75 D HA 0.602 5.247 4.640 0.007 0.000 0.262 75 D C -1.515 174.765 176.300 -0.034 0.000 1.210 75 D CA -0.251 53.731 54.000 -0.030 0.000 0.873 75 D CB 2.363 43.073 40.800 -0.150 0.000 1.408 75 D HN 0.266 nan 8.370 nan 0.000 0.441 76 S N 0.127 115.807 115.700 -0.033 0.000 2.563 76 S HA 0.281 4.755 4.470 0.007 0.000 0.279 76 S C 0.270 174.841 174.600 -0.047 0.000 1.155 76 S CA -0.597 57.581 58.200 -0.036 0.000 0.928 76 S CB 0.960 64.147 63.200 -0.021 0.000 1.107 76 S HN 0.459 nan 8.310 nan 0.000 0.462 77 R N 2.094 122.560 120.500 -0.055 0.000 2.193 77 R HA -0.039 4.306 4.340 0.007 0.000 0.229 77 R C 0.442 176.708 176.300 -0.056 0.000 1.110 77 R CA 1.181 57.240 56.100 -0.068 0.000 0.988 77 R CB -0.227 30.033 30.300 -0.066 0.000 0.871 77 R HN 0.601 nan 8.270 nan 0.000 0.458 78 D N 0.376 120.754 120.400 -0.037 0.000 2.269 78 D HA -0.029 4.616 4.640 0.007 0.000 0.208 78 D C 0.618 176.906 176.300 -0.020 0.000 0.963 78 D CA 0.642 54.629 54.000 -0.022 0.000 0.864 78 D CB 0.069 40.861 40.800 -0.013 0.000 0.936 78 D HN 0.159 nan 8.370 nan 0.000 0.505 79 c N 0.873 119.456 118.600 -0.028 0.000 2.365 79 c HA 0.546 5.120 4.570 0.007 0.000 0.349 79 c C 0.495 174.557 174.090 -0.048 0.000 1.191 79 c CA -1.048 55.267 56.329 -0.022 0.000 2.114 79 c CB 1.080 43.583 42.510 -0.011 0.000 2.367 79 c HN 0.098 nan 8.230 nan 0.000 0.530 80 L N 2.846 124.052 121.223 -0.029 0.000 2.309 80 L HA 0.426 4.771 4.340 0.007 0.000 0.282 80 L C -2.250 174.595 176.870 -0.042 0.000 1.036 80 L CA -1.485 53.331 54.840 -0.039 0.000 0.806 80 L CB 0.914 43.018 42.059 0.076 0.000 1.220 80 L HN 0.380 nan 8.230 nan 0.000 0.429 81 P HA 0.238 nan 4.420 nan 0.000 0.275 81 P C -2.537 174.725 177.300 -0.064 0.000 1.228 81 P CA -1.357 61.666 63.100 -0.128 0.000 0.786 81 P CB -0.188 31.396 31.700 -0.194 0.000 0.927 82 P HA 0.075 nan 4.420 nan 0.000 0.276 82 P C -0.615 176.622 177.300 -0.105 0.000 1.243 82 P CA -0.139 62.868 63.100 -0.155 0.000 0.768 82 P CB 0.230 31.866 31.700 -0.107 0.000 0.856 83 V N 5.196 125.041 119.914 -0.114 0.000 2.393 83 V HA 0.003 4.127 4.120 0.007 0.000 0.257 83 V C 0.582 176.665 176.094 -0.019 0.000 1.040 83 V CA 0.465 62.749 62.300 -0.027 0.000 1.097 83 V CB -0.969 30.884 31.823 0.050 0.000 1.101 83 V HN 0.483 nan 8.190 nan 0.000 0.479 84 M N 7.820 127.410 119.600 -0.018 0.000 2.144 84 M HA 0.338 4.823 4.480 0.007 0.000 0.356 84 M C -1.355 174.941 176.300 -0.006 0.000 1.217 84 M CA -3.015 52.277 55.300 -0.014 0.000 1.087 84 M CB 1.000 33.591 32.600 -0.015 0.000 1.609 84 M HN 0.169 nan 8.290 nan 0.000 0.467 85 P HA -0.140 nan 4.420 nan 0.000 0.216 85 P C 0.464 177.762 177.300 -0.003 0.000 1.150 85 P CA 1.323 64.422 63.100 -0.002 0.000 0.837 85 P CB 0.337 32.035 31.700 -0.002 0.000 0.786 86 D N -0.902 119.495 120.400 -0.004 0.000 2.219 86 D HA -0.112 4.533 4.640 0.007 0.000 0.205 86 D C 1.584 177.881 176.300 -0.004 0.000 0.970 86 D CA 1.071 55.069 54.000 -0.004 0.000 0.851 86 D CB -0.291 40.506 40.800 -0.005 0.000 0.943 86 D HN 0.257 nan 8.370 nan 0.000 0.488 87 E N -1.250 118.948 120.200 -0.004 0.000 2.431 87 E HA 0.147 4.502 4.350 0.007 0.000 0.200 87 E C -0.016 176.582 176.600 -0.002 0.000 0.995 87 E CA 0.094 56.492 56.400 -0.003 0.000 0.915 87 E CB 0.776 30.474 29.700 -0.004 0.000 0.930 87 E HN 0.059 nan 8.360 nan 0.000 0.496 88 c N 1.442 120.041 118.600 -0.003 0.000 3.335 88 c HA 0.424 4.998 4.570 0.007 0.000 0.217 88 c C -2.061 172.028 174.090 -0.002 0.000 1.330 88 c CA -1.874 54.454 56.329 -0.002 0.000 1.470 88 c CB -0.119 42.390 42.510 -0.001 0.000 1.806 88 c HN 0.156 nan 8.230 nan 0.000 0.468 89 P HA -0.123 nan 4.420 nan 0.000 0.226 89 P C 1.560 178.858 177.300 -0.003 0.000 1.153 89 P CA 1.070 64.169 63.100 -0.002 0.000 0.777 89 P CB -0.031 31.668 31.700 -0.002 0.000 0.794 90 Q N -0.389 119.409 119.800 -0.004 0.000 2.444 90 Q HA 0.118 4.462 4.340 0.007 0.000 0.206 90 Q C 0.440 176.436 176.000 -0.007 0.000 0.948 90 Q CA 0.050 55.849 55.803 -0.005 0.000 0.946 90 Q CB -0.588 28.147 28.738 -0.006 0.000 1.027 90 Q HN 0.029 nan 8.270 nan 0.000 0.513 91 A N 1.450 124.266 122.820 -0.005 0.000 2.520 91 A HA 0.180 4.504 4.320 0.007 0.000 0.245 91 A C -0.198 177.381 177.584 -0.008 0.000 1.072 91 A CA 0.077 52.111 52.037 -0.005 0.000 0.761 91 A CB 0.319 19.321 19.000 0.003 0.000 1.004 91 A HN 0.452 nan 8.150 nan 0.000 0.499 92 Q N 1.875 121.667 119.800 -0.014 0.000 2.421 92 Q HA 0.427 4.771 4.340 0.007 0.000 0.280 92 Q C -2.815 173.171 176.000 -0.024 0.000 1.085 92 Q CA -2.241 53.552 55.803 -0.016 0.000 0.807 92 Q CB 2.442 31.170 28.738 -0.017 0.000 1.405 92 Q HN 0.438 nan 8.270 nan 0.000 0.419 93 P HA 0.042 nan 4.420 nan 0.000 0.264 93 P C -1.218 176.056 177.300 -0.043 0.000 1.193 93 P CA 0.433 63.514 63.100 -0.033 0.000 0.763 93 P CB 0.522 32.207 31.700 -0.024 0.000 0.810 94 T N 3.113 117.627 114.554 -0.067 0.000 2.861 94 T HA 0.324 4.679 4.350 0.007 0.000 0.287 94 T C -0.032 174.615 174.700 -0.089 0.000 1.003 94 T CA -0.702 61.350 62.100 -0.080 0.000 0.977 94 T CB 0.747 69.550 68.868 -0.109 0.000 0.996 94 T HN 0.202 nan 8.240 nan 0.000 0.448 95 N N 2.403 121.062 118.700 -0.067 0.000 2.467 95 N HA 0.205 4.949 4.740 0.007 0.000 0.262 95 N C -0.144 175.316 175.510 -0.083 0.000 1.234 95 N CA -0.351 52.661 53.050 -0.063 0.000 0.952 95 N CB 0.456 38.931 38.487 -0.020 0.000 1.158 95 N HN 0.512 nan 8.380 nan 0.000 0.463 96 N N 0.888 119.536 118.700 -0.086 0.000 2.904 96 N HA 0.344 5.089 4.740 0.007 0.000 0.257 96 N C -2.829 172.655 175.510 -0.043 0.000 1.363 96 N CA -1.798 51.199 53.050 -0.089 0.000 0.856 96 N CB 0.487 38.897 38.487 -0.128 0.000 1.166 96 N HN 0.215 nan 8.380 nan 0.000 0.499 97 P HA 0.029 nan 4.420 nan 0.000 0.268 97 P C -0.377 176.935 177.300 0.021 0.000 1.204 97 P CA -0.074 63.034 63.100 0.014 0.000 0.768 97 P CB 0.461 32.163 31.700 0.003 0.000 0.842 98 N N 2.762 121.496 118.700 0.056 0.000 2.475 98 N HA -0.064 4.680 4.740 0.007 0.000 0.267 98 N C 0.632 176.259 175.510 0.194 0.000 1.169 98 N CA 0.085 53.203 53.050 0.113 0.000 0.947 98 N CB 0.697 39.284 38.487 0.167 0.000 1.061 98 N HN 0.337 nan 8.380 nan 0.000 0.466 99 Q N 3.082 122.975 119.800 0.156 0.000 2.226 99 Q HA 0.296 4.640 4.340 0.007 0.000 0.199 99 Q C -0.603 175.490 176.000 0.155 0.000 0.945 99 Q CA 0.806 56.716 55.803 0.178 0.000 0.861 99 Q CB 0.290 29.068 28.738 0.066 0.000 0.953 99 Q HN 0.676 nan 8.270 nan 0.000 0.490 100 L N 0.249 121.492 121.223 0.033 0.000 2.455 100 L HA 0.560 4.905 4.340 0.007 0.000 0.264 100 L C -2.078 174.754 176.870 -0.063 0.000 0.968 100 L CA -0.751 54.021 54.840 -0.113 0.000 0.827 100 L CB 2.174 44.195 42.059 -0.064 0.000 1.317 100 L HN 0.089 nan 8.230 nan 0.000 0.407 101 L N 5.729 126.888 121.223 -0.106 0.000 2.573 101 L HA 0.685 5.029 4.340 0.007 0.000 0.260 101 L C -1.991 174.870 176.870 -0.015 0.000 0.997 101 L CA 0.117 54.948 54.840 -0.016 0.000 0.890 101 L CB 1.253 43.354 42.059 0.071 0.000 1.179 101 L HN 0.517 nan 8.230 nan 0.000 0.439 102 L N 4.548 125.765 121.223 -0.010 0.000 2.408 102 L HA 0.643 4.987 4.340 0.007 0.000 0.268 102 L C -0.558 176.303 176.870 -0.015 0.000 0.986 102 L CA -1.030 53.815 54.840 0.008 0.000 0.820 102 L CB 2.335 44.413 42.059 0.031 0.000 1.303 102 L HN 0.079 nan 8.230 nan 0.000 0.411 103 V N 1.726 121.635 119.914 -0.009 0.000 2.432 103 V HA 0.388 4.512 4.120 0.007 0.000 0.271 103 V C 0.431 176.524 176.094 -0.002 0.000 1.046 103 V CA -0.047 62.233 62.300 -0.033 0.000 0.945 103 V CB 1.311 33.142 31.823 0.014 0.000 0.992 103 V HN 0.895 nan 8.190 nan 0.000 0.471 104 S N 5.781 121.470 115.700 -0.019 0.000 2.664 104 S HA 0.589 5.064 4.470 0.007 0.000 0.304 104 S C -1.755 172.828 174.600 -0.029 0.000 1.099 104 S CA -1.457 56.737 58.200 -0.010 0.000 1.003 104 S CB 2.017 65.211 63.200 -0.009 0.000 1.092 104 S HN 0.429 nan 8.310 nan 0.000 0.525 105 P HA 0.012 nan 4.420 nan 0.000 0.215 105 P C 1.514 178.768 177.300 -0.077 0.000 1.157 105 P CA 1.870 64.945 63.100 -0.042 0.000 0.874 105 P CB -0.374 31.302 31.700 -0.040 0.000 0.790 106 G N -1.315 107.414 108.800 -0.118 0.000 2.404 106 G HA2 0.242 4.206 3.960 0.007 0.000 0.213 106 G HA3 0.242 4.206 3.960 0.007 0.000 0.213 106 G C 0.546 175.353 174.900 -0.156 0.000 1.189 106 G CA 0.850 45.840 45.100 -0.183 0.000 0.796 106 G HN 0.547 nan 8.290 nan 0.000 0.532 107 A N -1.213 121.533 122.820 -0.123 0.000 2.486 107 A HA 0.731 5.055 4.320 0.007 0.000 0.289 107 A C -1.496 176.028 177.584 -0.100 0.000 1.176 107 A CA -0.652 51.327 52.037 -0.097 0.000 0.757 107 A CB 1.367 20.333 19.000 -0.056 0.000 1.337 107 A HN 0.511 nan 8.150 nan 0.000 0.423 108 L N 0.925 122.064 121.223 -0.140 0.000 2.276 108 L HA 0.588 4.933 4.340 0.007 0.000 0.286 108 L C -0.789 176.042 176.870 -0.065 0.000 1.061 108 L CA -0.102 54.611 54.840 -0.211 0.000 0.807 108 L CB 1.221 43.020 42.059 -0.433 0.000 1.177 108 L HN 0.367 nan 8.230 nan 0.000 0.429 109 V N 6.281 126.188 119.914 -0.012 0.000 2.406 109 V HA 0.407 4.531 4.120 0.007 0.000 0.272 109 V C -0.284 175.824 176.094 0.023 0.000 1.043 109 V CA -0.519 61.837 62.300 0.093 0.000 0.915 109 V CB 1.320 33.244 31.823 0.168 0.000 0.988 109 V HN 0.536 nan 8.190 nan 0.000 0.466 110 V N 4.404 124.318 119.914 0.000 0.000 2.407 110 V HA 0.425 4.549 4.120 0.007 0.000 0.291 110 V C -0.314 175.724 176.094 -0.093 0.000 1.018 110 V CA -0.433 61.845 62.300 -0.037 0.000 0.842 110 V CB 1.493 33.299 31.823 -0.028 0.000 0.996 110 V HN 0.955 nan 8.190 nan 0.000 0.426 111 c N 3.861 122.417 118.600 -0.074 0.000 2.369 111 c HA 0.881 5.455 4.570 0.007 0.000 0.322 111 c C 1.002 175.068 174.090 -0.040 0.000 1.258 111 c CA -0.695 55.577 56.329 -0.095 0.000 1.487 111 c CB 0.759 43.206 42.510 -0.105 0.000 2.165 111 c HN 1.039 nan 8.230 nan 0.000 0.483 112 G N 1.372 110.142 108.800 -0.050 0.000 2.552 112 G HA2 0.470 4.434 3.960 0.007 0.000 0.318 112 G HA3 0.470 4.434 3.960 0.007 0.000 0.318 112 G C 0.638 175.511 174.900 -0.045 0.000 1.240 112 G CA -0.208 44.870 45.100 -0.038 0.000 1.002 112 G HN 0.660 nan 8.290 nan 0.000 0.493 113 S N -1.457 114.212 115.700 -0.051 0.000 2.470 113 S HA 0.067 4.542 4.470 0.007 0.000 0.225 113 S C 1.251 175.792 174.600 -0.099 0.000 1.006 113 S CA -0.108 58.057 58.200 -0.058 0.000 0.934 113 S CB 0.031 63.203 63.200 -0.048 0.000 0.778 113 S HN 0.276 nan 8.310 nan 0.000 0.517 114 V N 1.091 120.920 119.914 -0.142 0.000 3.170 114 V HA 0.199 4.323 4.120 0.007 0.000 0.309 114 V C 0.071 176.054 176.094 -0.185 0.000 1.071 114 V CA -0.496 61.660 62.300 -0.240 0.000 1.063 114 V CB 0.315 31.929 31.823 -0.349 0.000 1.123 114 V HN 0.625 nan 8.190 nan 0.000 0.464 115 H N 3.079 122.072 119.070 -0.128 0.000 2.527 115 H HA -0.172 4.389 4.556 0.008 0.000 0.321 115 H C 0.673 175.850 175.328 -0.252 0.000 1.092 115 H CA 0.356 56.306 56.048 -0.165 0.000 1.118 115 H CB -0.886 28.803 29.762 -0.122 0.000 1.536 115 H HN 0.668 nan 8.280 nan 0.000 0.407 116 Q N -1.790 117.884 119.800 -0.211 0.000 2.393 116 Q HA -0.246 4.098 4.340 0.007 0.000 0.235 116 Q C 1.392 177.272 176.000 -0.200 0.000 0.823 116 Q CA 2.019 57.596 55.803 -0.377 0.000 1.284 116 Q CB -1.882 26.211 28.738 -1.076 0.000 1.669 116 Q HN 1.304 nan 8.270 nan 0.000 0.597 117 G N -1.190 107.546 108.800 -0.108 0.000 2.160 117 G HA2 -0.303 3.662 3.960 0.007 0.000 0.244 117 G HA3 -0.303 3.662 3.960 0.007 0.000 0.244 117 G C 0.222 175.090 174.900 -0.054 0.000 1.022 117 G CA 0.164 45.227 45.100 -0.061 0.000 0.741 117 G HN 0.356 nan 8.290 nan 0.000 0.508 118 V N -0.487 119.397 119.914 -0.050 0.000 2.999 118 V HA 0.364 4.489 4.120 0.007 0.000 0.307 118 V C 1.296 177.263 176.094 -0.211 0.000 1.084 118 V CA 0.509 62.765 62.300 -0.073 0.000 1.155 118 V CB 1.044 32.860 31.823 -0.011 0.000 0.975 118 V HN 0.576 nan 8.190 nan 0.000 0.490 119 c N 3.256 121.585 118.600 -0.452 0.000 2.822 119 c HA 0.856 5.431 4.570 0.007 0.000 0.341 119 c C -0.142 173.620 174.090 -0.547 0.000 1.301 119 c CA -0.735 55.182 56.329 -0.687 0.000 1.706 119 c CB 1.492 43.185 42.510 -1.362 0.000 2.178 119 c HN 1.024 nan 8.230 nan 0.000 0.481 120 E N -0.109 119.906 120.200 -0.307 0.000 2.445 120 E HA 0.534 4.889 4.350 0.007 0.000 0.279 120 E C -2.056 174.660 176.600 0.194 0.000 1.018 120 E CA -0.738 55.677 56.400 0.024 0.000 0.816 120 E CB 1.367 31.076 29.700 0.015 0.000 1.356 120 E HN 0.686 nan 8.360 nan 0.000 0.462 121 Q N 0.744 120.683 119.800 0.231 0.000 2.321 121 Q HA 0.470 4.814 4.340 0.007 0.000 0.270 121 Q C -1.023 175.033 176.000 0.093 0.000 1.032 121 Q CA -0.677 55.239 55.803 0.189 0.000 0.784 121 Q CB 2.664 31.553 28.738 0.252 0.000 1.264 121 Q HN 0.333 nan 8.270 nan 0.000 0.448 122 R N 1.010 121.524 120.500 0.023 0.000 2.778 122 R HA 0.455 4.800 4.340 0.007 0.000 0.277 122 R C -0.512 175.763 176.300 -0.042 0.000 0.977 122 R CA -1.012 55.083 56.100 -0.008 0.000 0.950 122 R CB 2.025 32.310 30.300 -0.024 0.000 1.165 122 R HN 0.423 nan 8.270 nan 0.000 0.474 123 R N 1.981 122.467 120.500 -0.024 0.000 2.522 123 R HA 0.053 4.397 4.340 0.007 0.000 0.284 123 R C -0.586 175.695 176.300 -0.031 0.000 1.032 123 R CA -0.057 56.025 56.100 -0.030 0.000 1.049 123 R CB 0.295 30.591 30.300 -0.006 0.000 0.956 123 R HN 0.447 nan 8.270 nan 0.000 0.422 124 L N 4.960 126.160 121.223 -0.039 0.000 2.410 124 L HA 0.176 4.520 4.340 0.007 0.000 0.273 124 L C 1.576 178.503 176.870 0.095 0.000 1.152 124 L CA 1.012 55.859 54.840 0.012 0.000 0.855 124 L CB 1.184 43.248 42.059 0.007 0.000 1.129 124 L HN 1.107 nan 8.230 nan 0.000 0.463 125 G N 1.854 110.780 108.800 0.209 0.000 2.284 125 G HA2 -0.237 3.727 3.960 0.007 0.000 0.247 125 G HA3 -0.237 3.727 3.960 0.007 0.000 0.247 125 G C 0.462 175.420 174.900 0.097 0.000 1.012 125 G CA -0.276 44.904 45.100 0.133 0.000 0.618 125 G HN 0.514 nan 8.290 nan 0.000 0.521 126 Q N -0.003 119.850 119.800 0.088 0.000 3.075 126 Q HA 0.440 4.784 4.340 0.007 0.000 0.318 126 Q C 1.411 177.453 176.000 0.070 0.000 0.907 126 Q CA -0.392 55.450 55.803 0.065 0.000 0.882 126 Q CB 0.855 29.616 28.738 0.038 0.000 1.386 126 Q HN 0.458 nan 8.270 nan 0.000 0.408 127 L N 1.007 122.298 121.223 0.112 0.000 2.089 127 L HA -0.230 4.114 4.340 0.007 0.000 0.213 127 L C 1.827 178.737 176.870 0.066 0.000 1.079 127 L CA 2.076 56.982 54.840 0.109 0.000 0.758 127 L CB 0.166 42.336 42.059 0.186 0.000 0.891 127 L HN 0.344 nan 8.230 nan 0.000 0.433 128 E N -0.554 119.684 120.200 0.064 0.000 2.118 128 E HA -0.186 4.168 4.350 0.007 0.000 0.195 128 E C 0.814 177.436 176.600 0.038 0.000 0.992 128 E CA 0.576 57.006 56.400 0.050 0.000 0.804 128 E CB -0.238 29.491 29.700 0.049 0.000 0.741 128 E HN 0.559 nan 8.360 nan 0.000 0.458 129 Q N 1.181 121.002 119.800 0.035 0.000 2.286 129 Q HA 0.104 4.448 4.340 0.007 0.000 0.265 129 Q C -0.526 175.491 176.000 0.028 0.000 1.080 129 Q CA -0.099 55.721 55.803 0.029 0.000 0.906 129 Q CB 0.480 29.232 28.738 0.023 0.000 1.227 129 Q HN 0.043 nan 8.270 nan 0.000 0.409 130 L N 4.343 125.587 121.223 0.034 0.000 2.305 130 L HA 0.151 4.495 4.340 0.007 0.000 0.281 130 L C 0.698 177.604 176.870 0.061 0.000 1.085 130 L CA 0.462 55.329 54.840 0.045 0.000 0.813 130 L CB 0.784 42.868 42.059 0.042 0.000 1.157 130 L HN 0.685 nan 8.230 nan 0.000 0.436 131 L N 4.305 125.578 121.223 0.084 0.000 2.349 131 L HA 0.311 4.655 4.340 0.007 0.000 0.200 131 L C -0.245 176.745 176.870 0.200 0.000 1.064 131 L CA 0.127 55.041 54.840 0.123 0.000 0.821 131 L CB 0.137 42.251 42.059 0.092 0.000 1.027 131 L HN 0.437 nan 8.230 nan 0.000 0.476 132 L N -0.101 121.248 121.223 0.211 0.000 2.493 132 L HA 0.473 4.817 4.340 0.007 0.000 0.265 132 L C -0.925 176.057 176.870 0.187 0.000 0.954 132 L CA -0.219 54.750 54.840 0.215 0.000 0.844 132 L CB 1.909 44.153 42.059 0.309 0.000 1.302 132 L HN 0.001 nan 8.230 nan 0.000 0.405 133 R N 5.403 125.977 120.500 0.124 0.000 2.921 133 R HA 0.405 4.750 4.340 0.007 0.000 0.269 133 R C -2.758 173.574 176.300 0.053 0.000 1.696 133 R CA -1.306 54.844 56.100 0.083 0.000 1.161 133 R CB 1.351 31.678 30.300 0.046 0.000 1.337 133 R HN 0.372 nan 8.270 nan 0.000 0.496 134 P HA -0.051 nan 4.420 nan 0.000 0.258 134 P C 0.548 177.850 177.300 0.002 0.000 1.172 134 P CA 0.151 63.268 63.100 0.029 0.000 0.762 134 P CB 0.706 32.434 31.700 0.048 0.000 0.764 135 E N 3.146 123.340 120.200 -0.010 0.000 2.049 135 E HA -0.193 4.162 4.350 0.007 0.000 0.198 135 E C 0.521 177.104 176.600 -0.028 0.000 1.007 135 E CA 1.433 57.820 56.400 -0.021 0.000 0.809 135 E CB 0.117 29.804 29.700 -0.022 0.000 0.749 135 E HN 0.566 nan 8.360 nan 0.000 0.450 136 R N 1.308 121.794 120.500 -0.024 0.000 2.564 136 R HA 0.359 4.704 4.340 0.007 0.000 0.282 136 R C -2.462 173.830 176.300 -0.013 0.000 1.573 136 R CA -1.348 54.739 56.100 -0.022 0.000 1.588 136 R CB 0.521 30.805 30.300 -0.026 0.000 1.154 136 R HN -0.094 nan 8.270 nan 0.000 0.606 137 P HA 0.263 nan 4.420 nan 0.000 0.274 137 P C -0.216 177.097 177.300 0.021 0.000 1.237 137 P CA -0.153 62.961 63.100 0.024 0.000 0.793 137 P CB 1.440 33.185 31.700 0.076 0.000 0.977 138 G N 0.544 109.292 108.800 -0.087 0.000 2.597 138 G HA2 0.298 4.263 3.960 0.007 0.000 0.317 138 G HA3 0.298 4.263 3.960 0.007 0.000 0.317 138 G C 0.661 175.183 174.900 -0.629 0.000 1.230 138 G CA -0.479 44.490 45.100 -0.219 0.000 0.996 138 G HN 0.508 nan 8.290 nan 0.000 0.490 139 D N -0.965 118.987 120.400 -0.746 0.000 2.190 139 D HA -0.196 4.448 4.640 0.007 0.000 0.200 139 D C 1.741 177.618 176.300 -0.705 0.000 0.992 139 D CA 1.838 55.187 54.000 -1.086 0.000 0.854 139 D CB -0.753 39.787 40.800 -0.434 0.000 0.936 139 D HN 0.316 nan 8.370 nan 0.000 0.462 140 T N -0.930 113.375 114.554 -0.414 0.000 3.098 140 T HA -0.077 4.278 4.350 0.007 0.000 0.266 140 T C 1.337 175.963 174.700 -0.125 0.000 1.145 140 T CA 0.815 62.758 62.100 -0.261 0.000 1.092 140 T CB -0.164 68.480 68.868 -0.374 0.000 0.908 140 T HN 0.266 nan 8.240 nan 0.000 0.526 141 Q N -0.476 119.221 119.800 -0.172 0.000 2.219 141 Q HA 0.195 4.539 4.340 0.007 0.000 0.209 141 Q C -0.575 175.497 176.000 0.120 0.000 0.854 141 Q CA -0.225 55.582 55.803 0.007 0.000 0.960 141 Q CB 0.585 29.338 28.738 0.025 0.000 1.116 141 Q HN 0.641 nan 8.270 nan 0.000 0.500 142 Y N 0.452 120.760 120.300 0.013 0.000 2.613 142 Y HA 0.030 4.585 4.550 0.008 0.000 0.354 142 Y C 1.194 177.083 175.900 -0.018 0.000 1.063 142 Y CA -1.009 57.083 58.100 -0.014 0.000 1.384 142 Y CB 0.540 38.995 38.460 -0.009 0.000 1.199 142 Y HN -0.083 nan 8.280 nan 0.000 0.517 143 V N 2.677 122.649 119.914 0.097 0.000 2.326 143 V HA -0.060 4.064 4.120 0.007 0.000 0.238 143 V C 1.323 177.412 176.094 -0.009 0.000 1.038 143 V CA 1.073 63.389 62.300 0.026 0.000 1.032 143 V CB -0.358 31.456 31.823 -0.015 0.000 0.675 143 V HN 0.717 nan 8.190 nan 0.000 0.467 144 A N -0.120 122.686 122.820 -0.023 0.000 2.252 144 A HA 0.749 5.073 4.320 0.007 0.000 0.305 144 A C 0.377 177.949 177.584 -0.020 0.000 1.097 144 A CA 0.104 52.126 52.037 -0.026 0.000 0.849 144 A CB 0.284 19.267 19.000 -0.027 0.000 1.142 144 A HN 0.631 nan 8.150 nan 0.000 0.499 145 A N 1.497 124.310 122.820 -0.012 0.000 2.545 145 A HA 0.273 4.598 4.320 0.007 0.000 0.253 145 A C 0.769 178.330 177.584 -0.039 0.000 1.074 145 A CA 0.109 52.133 52.037 -0.021 0.000 0.760 145 A CB -0.440 18.560 19.000 0.000 0.000 1.005 145 A HN 0.948 nan 8.150 nan 0.000 0.506 146 N N 1.961 120.624 118.700 -0.062 0.000 2.441 146 N HA 0.052 4.796 4.740 0.007 0.000 0.225 146 N C -0.775 174.689 175.510 -0.077 0.000 1.208 146 N CA 0.238 53.240 53.050 -0.081 0.000 0.847 146 N CB 0.091 38.513 38.487 -0.109 0.000 1.121 146 N HN 0.558 nan 8.380 nan 0.000 0.479 147 D N -0.444 119.919 120.400 -0.061 0.000 2.990 147 D HA 0.423 5.067 4.640 0.007 0.000 0.227 147 D C -2.759 173.520 176.300 -0.035 0.000 1.249 147 D CA -1.646 52.321 54.000 -0.057 0.000 0.891 147 D CB 2.780 43.539 40.800 -0.068 0.000 1.647 147 D HN -0.094 nan 8.370 nan 0.000 0.530 148 P HA 0.245 nan 4.420 nan 0.000 0.335 148 P C 0.410 177.703 177.300 -0.012 0.000 1.379 148 P CA 1.306 64.397 63.100 -0.015 0.000 0.794 148 P CB 0.071 31.755 31.700 -0.027 0.000 1.849 149 A N -3.554 119.261 122.820 -0.008 0.000 4.200 149 A HA -0.190 4.135 4.320 0.007 0.000 0.265 149 A C 0.418 178.009 177.584 0.012 0.000 0.881 149 A CA 2.022 54.060 52.037 0.001 0.000 1.037 149 A CB -2.471 16.524 19.000 -0.009 0.000 1.026 149 A HN 0.281 nan 8.150 nan 0.000 0.752 150 V N 0.300 120.218 119.914 0.007 0.000 2.525 150 V HA 0.574 4.699 4.120 0.007 0.000 0.299 150 V C 0.359 176.486 176.094 0.054 0.000 1.034 150 V CA -0.069 62.232 62.300 0.001 0.000 0.863 150 V CB 1.780 33.574 31.823 -0.048 0.000 0.999 150 V HN 0.431 nan 8.190 nan 0.000 0.423 151 S N 2.609 118.373 115.700 0.106 0.000 2.601 151 S HA 0.627 5.101 4.470 0.007 0.000 0.271 151 S C 0.107 174.818 174.600 0.185 0.000 1.305 151 S CA -0.186 58.119 58.200 0.175 0.000 1.022 151 S CB 1.040 64.378 63.200 0.230 0.000 0.940 151 S HN 0.842 nan 8.310 nan 0.000 0.525 152 T N 2.115 116.768 114.554 0.166 0.000 2.886 152 T HA 0.564 4.919 4.350 0.007 0.000 0.292 152 T C -0.586 174.159 174.700 0.074 0.000 1.012 152 T CA -0.659 61.492 62.100 0.084 0.000 0.982 152 T CB 1.343 70.233 68.868 0.038 0.000 1.018 152 T HN 0.536 nan 8.240 nan 0.000 0.451 153 V N 0.265 120.187 119.914 0.013 0.000 2.715 153 V HA 1.089 5.214 4.120 0.007 0.000 0.310 153 V C -0.029 176.085 176.094 0.034 0.000 1.054 153 V CA -0.623 61.711 62.300 0.057 0.000 0.928 153 V CB 1.634 33.564 31.823 0.179 0.000 1.007 153 V HN 1.053 nan 8.190 nan 0.000 0.437 154 G N 2.254 111.095 108.800 0.068 0.000 2.619 154 G HA2 0.747 4.711 3.960 0.007 0.000 0.296 154 G HA3 0.747 4.711 3.960 0.007 0.000 0.296 154 G C -1.898 173.074 174.900 0.119 0.000 1.334 154 G CA -0.809 44.349 45.100 0.096 0.000 0.934 154 G HN 1.489 nan 8.290 nan 0.000 0.476 155 L N 1.214 122.536 121.223 0.166 0.000 2.580 155 L HA 0.593 4.937 4.340 0.007 0.000 0.266 155 L C -1.130 175.871 176.870 0.219 0.000 0.955 155 L CA -0.637 54.293 54.840 0.150 0.000 0.886 155 L CB 1.958 44.045 42.059 0.048 0.000 1.263 155 L HN 0.392 nan 8.230 nan 0.000 0.406 156 V N 5.126 125.129 119.914 0.148 0.000 2.406 156 V HA 0.903 5.027 4.120 0.007 0.000 0.272 156 V C 0.656 176.837 176.094 0.145 0.000 1.043 156 V CA 0.547 62.929 62.300 0.137 0.000 0.915 156 V CB 0.470 32.343 31.823 0.084 0.000 0.988 156 V HN 1.037 nan 8.190 nan 0.000 0.466 157 A N 4.975 127.908 122.820 0.189 0.000 2.486 157 A HA 0.864 5.188 4.320 0.007 0.000 0.277 157 A C -0.886 176.773 177.584 0.125 0.000 1.282 157 A CA -0.757 51.389 52.037 0.181 0.000 0.784 157 A CB 1.672 20.874 19.000 0.338 0.000 1.350 157 A HN 0.649 nan 8.150 nan 0.000 0.454 158 Q N -0.900 118.968 119.800 0.113 0.000 2.387 158 Q HA 0.538 4.882 4.340 0.007 0.000 0.273 158 Q C 0.107 176.155 176.000 0.080 0.000 1.089 158 Q CA -0.628 55.219 55.803 0.073 0.000 0.824 158 Q CB 2.211 30.980 28.738 0.051 0.000 1.367 158 Q HN 0.975 nan 8.270 nan 0.000 0.443 159 G N 0.317 109.147 108.800 0.051 0.000 2.525 159 G HA2 0.264 4.229 3.960 0.007 0.000 0.287 159 G HA3 0.264 4.229 3.960 0.007 0.000 0.287 159 G C 0.584 175.509 174.900 0.042 0.000 1.350 159 G CA -0.487 44.639 45.100 0.043 0.000 1.039 159 G HN 0.602 nan 8.290 nan 0.000 0.513 160 L N -0.127 121.118 121.223 0.037 0.000 2.201 160 L HA 0.001 4.345 4.340 0.007 0.000 0.212 160 L C 2.792 179.679 176.870 0.028 0.000 1.105 160 L CA 1.222 56.083 54.840 0.035 0.000 0.775 160 L CB -0.167 41.913 42.059 0.036 0.000 0.913 160 L HN 0.549 nan 8.230 nan 0.000 0.440 161 A N -0.848 121.987 122.820 0.024 0.000 2.345 161 A HA 0.398 4.722 4.320 0.007 0.000 0.225 161 A C 1.679 179.275 177.584 0.020 0.000 1.243 161 A CA 0.622 52.672 52.037 0.021 0.000 0.875 161 A CB -0.098 18.913 19.000 0.019 0.000 0.929 161 A HN 0.478 nan 8.150 nan 0.000 0.502 162 G N 0.244 109.057 108.800 0.023 0.000 2.195 162 G HA2 -0.277 3.688 3.960 0.007 0.000 0.246 162 G HA3 -0.277 3.688 3.960 0.007 0.000 0.246 162 G C 0.147 175.059 174.900 0.021 0.000 0.984 162 G CA 0.225 45.337 45.100 0.021 0.000 0.633 162 G HN 0.948 nan 8.290 nan 0.000 0.525 163 E N 1.739 121.953 120.200 0.023 0.000 2.437 163 E HA 0.256 4.610 4.350 0.007 0.000 0.263 163 E C -2.535 174.078 176.600 0.021 0.000 1.030 163 E CA -0.915 55.501 56.400 0.026 0.000 0.934 163 E CB 0.783 30.500 29.700 0.027 0.000 0.943 163 E HN 0.308 nan 8.360 nan 0.000 0.444 164 P HA 0.287 nan 4.420 nan 0.000 0.287 164 P C -0.682 176.611 177.300 -0.012 0.000 1.294 164 P CA -0.237 62.870 63.100 0.011 0.000 0.776 164 P CB 0.671 32.373 31.700 0.004 0.000 0.889 165 L N 3.711 124.928 121.223 -0.011 0.000 2.342 165 L HA 0.619 4.964 4.340 0.007 0.000 0.271 165 L C -0.012 176.829 176.870 -0.048 0.000 1.008 165 L CA -1.225 53.566 54.840 -0.082 0.000 0.818 165 L CB 1.978 43.944 42.059 -0.155 0.000 1.296 165 L HN 0.240 nan 8.230 nan 0.000 0.427 166 L N 1.774 122.931 121.223 -0.110 0.000 2.376 166 L HA 0.555 4.899 4.340 0.007 0.000 0.275 166 L C -1.343 175.478 176.870 -0.082 0.000 0.987 166 L CA 0.136 54.977 54.840 0.002 0.000 0.828 166 L CB 1.193 43.296 42.059 0.073 0.000 1.249 166 L HN 0.226 nan 8.230 nan 0.000 0.409 167 F N 4.850 124.855 119.950 0.093 0.000 2.411 167 F HA 0.569 5.101 4.527 0.007 0.000 0.350 167 F C 0.068 175.940 175.800 0.120 0.000 1.114 167 F CA -0.326 57.766 58.000 0.153 0.000 1.135 167 F CB 1.566 40.702 39.000 0.227 0.000 1.120 167 F HN 0.165 nan 8.300 nan 0.000 0.495 168 V N 2.460 122.468 119.914 0.156 0.000 2.495 168 V HA 0.613 4.737 4.120 0.007 0.000 0.298 168 V C 0.229 176.146 176.094 -0.295 0.000 1.031 168 V CA -0.945 61.336 62.300 -0.032 0.000 0.871 168 V CB 1.669 33.447 31.823 -0.075 0.000 0.988 168 V HN 0.877 nan 8.190 nan 0.000 0.432 169 G N 3.677 112.189 108.800 -0.481 0.000 3.005 169 G HA2 0.407 4.372 3.960 0.007 0.000 0.342 169 G HA3 0.407 4.372 3.960 0.007 0.000 0.342 169 G C -0.133 174.170 174.900 -0.995 0.000 1.101 169 G CA -0.518 43.710 45.100 -1.453 0.000 1.225 169 G HN 0.589 nan 8.290 nan 0.000 0.462 170 R N 2.465 122.643 120.500 -0.537 0.000 2.202 170 R HA 0.426 4.771 4.340 0.007 0.000 0.334 170 R C 0.696 177.133 176.300 0.229 0.000 1.036 170 R CA -0.406 55.636 56.100 -0.097 0.000 0.878 170 R CB 0.659 30.898 30.300 -0.103 0.000 1.067 170 R HN 0.445 nan 8.270 nan 0.000 0.457 171 G N 2.917 111.936 108.800 0.365 0.000 2.527 171 G HA2 -0.075 3.889 3.960 0.007 0.000 0.248 171 G HA3 -0.075 3.889 3.960 0.007 0.000 0.248 171 G C -0.794 174.206 174.900 0.167 0.000 1.231 171 G CA -0.429 44.870 45.100 0.332 0.000 0.838 171 G HN 0.734 nan 8.290 nan 0.000 0.570 172 Y N 1.416 121.760 120.300 0.074 0.000 2.620 172 Y HA 0.337 4.891 4.550 0.008 0.000 0.330 172 Y C 0.864 176.775 175.900 0.018 0.000 1.186 172 Y CA 0.352 58.489 58.100 0.061 0.000 1.467 172 Y CB 0.598 39.134 38.460 0.127 0.000 1.262 172 Y HN 0.557 nan 8.280 nan 0.000 0.550 173 T N 3.086 117.212 114.554 -0.713 0.000 2.812 173 T HA 0.468 4.823 4.350 0.007 0.000 0.282 173 T C 0.019 174.233 174.700 -0.810 0.000 0.990 173 T CA -0.904 60.842 62.100 -0.590 0.000 0.960 173 T CB 1.072 69.782 68.868 -0.264 0.000 0.948 173 T HN 0.727 nan 8.240 nan 0.000 0.438 179 G N -0.098 108.723 108.800 0.035 0.000 2.922 179 G HA2 0.541 4.505 3.960 0.007 0.000 0.335 179 G HA3 0.541 4.505 3.960 0.007 0.000 0.335 179 G C 0.647 175.599 174.900 0.086 0.000 1.016 179 G CA 0.207 45.330 45.100 0.039 0.000 1.306 179 G HN 1.324 nan 8.290 nan 0.000 0.465 180 G N 1.880 110.735 108.800 0.091 0.000 3.899 180 G HA2 0.330 4.294 3.960 0.007 0.000 0.293 180 G HA3 0.330 4.294 3.960 0.007 0.000 0.293 180 G C 0.378 175.303 174.900 0.042 0.000 1.054 180 G CA -0.439 44.716 45.100 0.091 0.000 0.846 180 G HN 0.546 nan 8.290 nan 0.000 0.525 181 I N 1.791 122.380 120.570 0.031 0.000 2.588 181 I HA 0.188 4.362 4.170 0.007 0.000 0.283 181 I C -1.822 174.221 176.117 -0.123 0.000 1.119 181 I CA -1.830 59.453 61.300 -0.029 0.000 1.419 181 I CB 1.122 39.121 38.000 -0.002 0.000 1.394 181 I HN -0.050 nan 8.210 nan 0.000 0.562 182 P HA -0.013 nan 4.420 nan 0.000 0.264 182 P C -1.884 175.178 177.300 -0.396 0.000 1.183 182 P CA -0.898 61.979 63.100 -0.372 0.000 0.763 182 P CB -0.081 31.294 31.700 -0.543 0.000 0.807 183 P HA -0.083 nan 4.420 nan 0.000 0.218 183 P C 0.146 177.156 177.300 -0.483 0.000 1.148 183 P CA 1.572 64.429 63.100 -0.404 0.000 0.822 183 P CB 0.307 31.545 31.700 -0.769 0.000 0.784 184 I N -0.450 119.750 120.570 -0.618 0.000 2.499 184 I HA 0.316 4.490 4.170 0.007 0.000 0.288 184 I C -0.132 175.596 176.117 -0.649 0.000 1.048 184 I CA -0.499 60.411 61.300 -0.650 0.000 1.062 184 I CB 2.389 39.953 38.000 -0.726 0.000 1.238 184 I HN -0.171 nan 8.210 nan 0.000 0.426 185 T N 0.128 114.414 114.554 -0.447 0.000 2.883 185 T HA 0.591 4.946 4.350 0.007 0.000 0.301 185 T C -0.609 173.994 174.700 -0.162 0.000 1.158 185 T CA -0.821 60.997 62.100 -0.469 0.000 1.007 185 T CB 1.942 70.423 68.868 -0.645 0.000 1.186 185 T HN 0.373 nan 8.240 nan 0.000 0.499 186 T N 2.423 116.874 114.554 -0.173 0.000 2.893 186 T HA 0.510 4.864 4.350 0.007 0.000 0.324 186 T C -0.258 174.332 174.700 -0.183 0.000 1.082 186 T CA -0.815 61.081 62.100 -0.341 0.000 0.983 186 T CB 0.304 68.930 68.868 -0.404 0.000 1.005 186 T HN 0.562 nan 8.240 nan 0.000 0.475 187 R N 1.668 122.075 120.500 -0.156 0.000 2.460 187 R HA 0.749 5.093 4.340 0.007 0.000 0.303 187 R C -0.159 176.073 176.300 -0.113 0.000 0.968 187 R CA -0.944 55.127 56.100 -0.048 0.000 0.889 187 R CB 1.482 31.819 30.300 0.060 0.000 1.123 187 R HN 0.625 nan 8.270 nan 0.000 0.455 188 A N 3.364 126.111 122.820 -0.122 0.000 2.450 188 A HA 0.174 4.498 4.320 0.007 0.000 0.255 188 A C 0.945 178.384 177.584 -0.241 0.000 1.096 188 A CA -0.397 51.551 52.037 -0.149 0.000 0.778 188 A CB 0.178 19.097 19.000 -0.134 0.000 1.031 188 A HN 0.877 nan 8.150 nan 0.000 0.494 189 L N 1.735 122.834 121.223 -0.207 0.000 2.307 189 L HA 0.092 4.436 4.340 0.007 0.000 0.211 189 L C 0.647 177.443 176.870 -0.122 0.000 1.099 189 L CA 0.471 55.125 54.840 -0.310 0.000 0.816 189 L CB 0.157 42.125 42.059 -0.151 0.000 0.952 189 L HN 0.817 nan 8.230 nan 0.000 0.455 190 W N 2.389 123.545 121.300 -0.239 0.000 2.258 190 W HA 0.295 4.960 4.660 0.007 0.000 0.287 190 W C -2.798 173.645 176.519 -0.128 0.000 1.024 190 W CA -1.320 55.922 57.345 -0.172 0.000 1.377 190 W CB 1.259 30.643 29.460 -0.126 0.000 1.351 190 W HN -0.144 nan 8.180 nan 0.000 0.334 191 P HA 0.476 nan 4.420 nan 0.000 0.287 191 P C -2.065 175.083 177.300 -0.254 0.000 1.296 191 P CA -0.924 62.048 63.100 -0.212 0.000 0.811 191 P CB 1.064 32.644 31.700 -0.201 0.000 1.211 192 P HA -0.156 nan 4.420 nan 0.000 0.215 192 P C 0.116 177.302 177.300 -0.191 0.000 1.163 192 P CA 1.649 64.668 63.100 -0.134 0.000 0.894 192 P CB -0.222 31.423 31.700 -0.090 0.000 0.791 193 D N -1.497 118.782 120.400 -0.203 0.000 2.347 193 D HA 0.091 4.736 4.640 0.007 0.000 0.235 193 D C -1.844 174.257 176.300 -0.331 0.000 1.149 193 D CA -2.444 51.425 54.000 -0.219 0.000 0.850 193 D CB 0.562 41.265 40.800 -0.162 0.000 1.061 193 D HN -0.009 nan 8.370 nan 0.000 0.487 194 P HA -0.101 nan 4.420 nan 0.000 0.223 194 P C 0.976 178.036 177.300 -0.401 0.000 1.151 194 P CA 0.600 63.288 63.100 -0.686 0.000 0.787 194 P CB 0.324 31.470 31.700 -0.922 0.000 0.788 195 Q N -0.353 119.296 119.800 -0.251 0.000 2.437 195 Q HA 0.058 4.403 4.340 0.007 0.000 0.210 195 Q C 1.537 177.461 176.000 -0.127 0.000 0.972 195 Q CA 0.863 56.577 55.803 -0.149 0.000 0.903 195 Q CB -0.989 27.682 28.738 -0.111 0.000 0.967 195 Q HN 0.125 nan 8.270 nan 0.000 0.486 196 A N -1.118 121.601 122.820 -0.169 0.000 2.460 196 A HA 0.633 4.958 4.320 0.007 0.000 0.258 196 A C 0.612 178.104 177.584 -0.153 0.000 1.300 196 A CA 0.238 52.187 52.037 -0.146 0.000 0.913 196 A CB -0.221 18.685 19.000 -0.156 0.000 1.031 196 A HN 0.279 nan 8.150 nan 0.000 0.512 197 A N -1.618 121.095 122.820 -0.179 0.000 2.406 197 A HA 0.549 4.874 4.320 0.007 0.000 0.243 197 A C 0.462 178.009 177.584 -0.061 0.000 1.082 197 A CA 0.267 52.152 52.037 -0.254 0.000 0.786 197 A CB -0.529 18.233 19.000 -0.397 0.000 1.029 197 A HN 1.115 nan 8.150 nan 0.000 0.495 198 F N -0.585 119.341 119.950 -0.039 0.000 2.794 198 F HA -0.183 4.349 4.527 0.008 0.000 0.335 198 F C 0.991 176.782 175.800 -0.015 0.000 0.653 198 F CA 1.149 59.139 58.000 -0.017 0.000 1.266 198 F CB -1.827 37.173 39.000 0.000 0.000 1.666 198 F HN 0.601 nan 8.300 nan 0.000 0.314 199 S N 0.251 115.980 115.700 0.049 0.000 2.541 199 S HA 0.639 5.113 4.470 0.007 0.000 0.283 199 S C -0.299 174.285 174.600 -0.027 0.000 1.196 199 S CA -0.480 57.703 58.200 -0.029 0.000 1.062 199 S CB 0.802 63.921 63.200 -0.134 0.000 1.009 199 S HN 0.271 nan 8.310 nan 0.000 0.502 200 Y N 1.399 121.625 120.300 -0.122 0.000 2.376 200 Y HA 0.635 5.189 4.550 0.007 0.000 0.325 200 Y C 0.667 176.475 175.900 -0.153 0.000 1.199 200 Y CA -1.071 56.938 58.100 -0.152 0.000 1.206 200 Y CB 0.587 38.940 38.460 -0.178 0.000 1.229 200 Y HN 0.556 nan 8.280 nan 0.000 0.480 201 E N 1.588 121.711 120.200 -0.128 0.000 2.322 201 E HA -0.014 4.340 4.350 0.007 0.000 0.195 201 E C 0.640 177.114 176.600 -0.209 0.000 1.198 201 E CA 0.993 57.276 56.400 -0.196 0.000 1.132 201 E CB -0.813 28.795 29.700 -0.154 0.000 1.213 201 E HN 0.879 nan 8.360 nan 0.000 0.450 202 E N -1.988 118.037 120.200 -0.292 0.000 4.586 202 E HA -0.372 3.983 4.350 0.007 0.000 0.271 202 E C 0.974 177.553 176.600 -0.035 0.000 0.767 202 E CA 1.655 57.946 56.400 -0.181 0.000 1.491 202 E CB -1.274 28.316 29.700 -0.184 0.000 1.758 202 E HN 0.408 nan 8.360 nan 0.000 0.398 203 T N -1.170 113.329 114.554 -0.091 0.000 3.033 203 T HA 0.363 4.717 4.350 0.007 0.000 0.248 203 T C 0.859 175.467 174.700 -0.154 0.000 1.040 203 T CA 0.790 62.795 62.100 -0.158 0.000 1.133 203 T CB 0.035 68.710 68.868 -0.321 0.000 0.895 203 T HN 0.350 nan 8.240 nan 0.000 0.465 204 A N 2.523 125.286 122.820 -0.095 0.000 3.029 204 A HA 0.476 4.801 4.320 0.007 0.000 0.251 204 A C 0.128 177.506 177.584 -0.343 0.000 1.749 204 A CA -0.299 51.719 52.037 -0.032 0.000 1.386 204 A CB -1.060 17.948 19.000 0.014 0.000 1.043 204 A HN 0.694 nan 8.150 nan 0.000 0.638 205 K N -1.216 118.768 120.400 -0.694 0.000 2.555 205 K HA 0.657 4.981 4.320 0.007 0.000 0.279 205 K C -1.168 174.764 176.600 -1.113 0.000 0.986 205 K CA -0.907 54.733 56.287 -1.078 0.000 0.880 205 K CB 1.044 33.095 32.500 -0.748 0.000 1.474 205 K HN 0.090 nan 8.250 nan 0.000 0.433 206 L N 1.632 122.222 121.223 -1.054 0.000 2.272 206 L HA 0.619 4.963 4.340 0.007 0.000 0.284 206 L C -0.808 175.698 176.870 -0.607 0.000 1.045 206 L CA -0.214 54.150 54.840 -0.793 0.000 0.842 206 L CB 0.549 42.052 42.059 -0.926 0.000 1.224 206 L HN 0.839 nan 8.230 nan 0.000 0.430 207 A N 5.291 127.861 122.820 -0.418 0.000 2.396 207 A HA 0.570 4.894 4.320 0.007 0.000 0.279 207 A C -0.490 176.905 177.584 -0.316 0.000 1.165 207 A CA -0.257 51.600 52.037 -0.299 0.000 0.824 207 A CB 0.025 18.924 19.000 -0.169 0.000 1.100 207 A HN 0.512 nan 8.150 nan 0.000 0.516 208 V N 3.202 122.910 119.914 -0.343 0.000 2.487 208 V HA 0.459 4.584 4.120 0.007 0.000 0.298 208 V C 1.343 177.370 176.094 -0.112 0.000 1.028 208 V CA 0.261 62.361 62.300 -0.332 0.000 0.860 208 V CB 1.670 33.123 31.823 -0.616 0.000 0.991 208 V HN 1.034 nan 8.190 nan 0.000 0.427 209 G N 3.773 112.575 108.800 0.004 0.000 2.572 209 G HA2 -0.020 3.945 3.960 0.007 0.000 0.216 209 G HA3 -0.020 3.945 3.960 0.007 0.000 0.216 209 G C 0.810 175.750 174.900 0.067 0.000 1.133 209 G CA 0.081 45.206 45.100 0.040 0.000 0.791 209 G HN 0.575 nan 8.290 nan 0.000 0.538 210 R N -0.119 120.465 120.500 0.140 0.000 2.638 210 R HA 0.356 4.701 4.340 0.007 0.000 0.261 210 R C 0.925 177.283 176.300 0.097 0.000 1.515 210 R CA -0.293 55.866 56.100 0.098 0.000 1.623 210 R CB 0.241 30.588 30.300 0.078 0.000 1.347 210 R HN 0.136 nan 8.270 nan 0.000 0.705 211 L N 0.260 121.490 121.223 0.011 0.000 2.089 211 L HA -0.298 4.046 4.340 0.007 0.000 0.213 211 L C 2.315 178.840 176.870 -0.576 0.000 1.079 211 L CA 2.146 56.928 54.840 -0.097 0.000 0.758 211 L CB -0.229 41.811 42.059 -0.033 0.000 0.891 211 L HN 0.455 nan 8.230 nan 0.000 0.433 212 S N -1.061 114.203 115.700 -0.726 0.000 2.399 212 S HA -0.191 4.284 4.470 0.007 0.000 0.231 212 S C 1.673 176.034 174.600 -0.399 0.000 1.022 212 S CA 1.168 58.831 58.200 -0.895 0.000 0.983 212 S CB -0.328 62.689 63.200 -0.306 0.000 0.803 212 S HN 0.526 nan 8.310 nan 0.000 0.480 213 E N 0.131 120.163 120.200 -0.280 0.000 2.076 213 E HA -0.049 4.306 4.350 0.007 0.000 0.190 213 E C 1.819 178.197 176.600 -0.370 0.000 0.979 213 E CA 1.090 57.307 56.400 -0.305 0.000 0.807 213 E CB -0.307 29.172 29.700 -0.368 0.000 0.761 213 E HN 0.653 nan 8.360 nan 0.000 0.454 214 Y N 1.146 121.383 120.300 -0.104 0.000 2.314 214 Y HA -0.044 4.510 4.550 0.007 0.000 0.293 214 Y C 1.299 177.156 175.900 -0.072 0.000 1.129 214 Y CA 0.853 58.899 58.100 -0.090 0.000 1.201 214 Y CB -0.049 38.438 38.460 0.046 0.000 0.999 214 Y HN -0.150 nan 8.280 nan 0.000 0.541 215 S N 1.115 116.906 115.700 0.152 0.000 3.386 215 S HA -0.265 4.209 4.470 0.007 0.000 0.403 215 S C -0.527 174.417 174.600 0.573 0.000 0.893 215 S CA -0.143 58.297 58.200 0.400 0.000 1.336 215 S CB -1.829 61.710 63.200 0.565 0.000 0.925 215 S HN 0.543 nan 8.310 nan 0.000 0.589 216 H N 2.508 121.783 119.070 0.342 0.000 2.815 216 H HA 0.393 4.953 4.556 0.007 0.000 0.350 216 H C 0.435 175.820 175.328 0.096 0.000 1.080 216 H CA 0.654 56.803 56.048 0.169 0.000 1.433 216 H CB 0.375 29.998 29.762 -0.230 0.000 1.432 216 H HN 0.546 nan 8.280 nan 0.000 0.592 217 H N 2.672 121.810 119.070 0.113 0.000 2.887 217 H HA 0.214 4.774 4.556 0.007 0.000 0.300 217 H C -0.843 174.539 175.328 0.090 0.000 1.038 217 H CA -0.523 55.592 56.048 0.112 0.000 1.352 217 H CB -0.056 29.740 29.762 0.058 0.000 1.473 217 H HN 0.434 nan 8.280 nan 0.000 0.503 218 F N 1.865 122.021 119.950 0.343 0.000 2.429 218 F HA 0.130 4.661 4.527 0.007 0.000 0.348 218 F C 1.064 177.045 175.800 0.302 0.000 1.109 218 F CA -0.083 58.128 58.000 0.351 0.000 1.232 218 F CB 0.843 39.998 39.000 0.260 0.000 1.157 218 F HN 0.313 nan 8.300 nan 0.000 0.564 219 V N 0.243 120.458 119.914 0.501 0.000 2.840 219 V HA 0.162 4.286 4.120 0.007 0.000 0.234 219 V C 0.237 176.537 176.094 0.343 0.000 1.159 219 V CA 0.822 63.327 62.300 0.343 0.000 1.194 219 V CB 0.664 32.631 31.823 0.240 0.000 0.971 219 V HN 0.735 nan 8.190 nan 0.000 0.494 220 S N -0.543 115.399 115.700 0.403 0.000 2.579 220 S HA 0.842 5.317 4.470 0.007 0.000 0.272 220 S C -1.080 173.768 174.600 0.414 0.000 1.141 220 S CA 0.045 58.468 58.200 0.372 0.000 0.843 220 S CB 2.155 65.558 63.200 0.339 0.000 1.122 220 S HN 0.896 nan 8.310 nan 0.000 0.468 221 A N 1.936 124.934 122.820 0.298 0.000 2.393 221 A HA 0.949 5.273 4.320 0.007 0.000 0.306 221 A C -0.902 176.743 177.584 0.101 0.000 1.050 221 A CA -0.810 51.251 52.037 0.041 0.000 0.724 221 A CB 0.652 19.664 19.000 0.020 0.000 1.248 221 A HN 1.835 nan 8.150 nan 0.000 0.424 222 F N -0.702 119.152 119.950 -0.159 0.000 2.713 222 F HA 0.869 5.401 4.527 0.007 0.000 0.311 222 F C -0.368 175.381 175.800 -0.086 0.000 1.141 222 F CA -0.749 57.197 58.000 -0.089 0.000 0.939 222 F CB 1.054 40.036 39.000 -0.029 0.000 1.325 222 F HN 0.919 nan 8.300 nan 0.000 0.453 223 A N 1.717 124.638 122.820 0.169 0.000 2.384 223 A HA 0.954 5.279 4.320 0.007 0.000 0.312 223 A C -1.177 176.527 177.584 0.201 0.000 1.113 223 A CA -1.089 51.014 52.037 0.110 0.000 0.779 223 A CB 1.948 20.928 19.000 -0.032 0.000 1.307 223 A HN 1.028 nan 8.150 nan 0.000 0.436 224 R N 0.632 121.271 120.500 0.232 0.000 2.522 224 R HA 0.498 4.843 4.340 0.007 0.000 0.273 224 R C 0.516 176.919 176.300 0.171 0.000 1.133 224 R CA 0.573 56.770 56.100 0.162 0.000 0.969 224 R CB 1.186 31.535 30.300 0.082 0.000 1.235 224 R HN 2.374 nan 8.270 nan 0.000 0.433 225 G N 2.527 111.378 108.800 0.086 0.000 2.611 225 G HA2 -0.394 3.571 3.960 0.007 0.000 0.301 225 G HA3 -0.394 3.571 3.960 0.007 0.000 0.301 225 G C 0.336 175.261 174.900 0.040 0.000 1.233 225 G CA 0.325 45.463 45.100 0.063 0.000 0.993 225 G HN 0.973 nan 8.290 nan 0.000 0.553 226 A N -0.212 122.623 122.820 0.025 0.000 2.579 226 A HA 0.686 5.010 4.320 0.007 0.000 0.273 226 A C 0.699 178.244 177.584 -0.064 0.000 1.363 226 A CA 1.441 53.475 52.037 -0.006 0.000 0.953 226 A CB -0.227 18.776 19.000 0.004 0.000 1.034 226 A HN 1.453 nan 8.150 nan 0.000 0.536 227 S N -0.661 114.983 115.700 -0.094 0.000 2.541 227 S HA 0.692 5.166 4.470 0.007 0.000 0.280 227 S C -0.336 174.021 174.600 -0.405 0.000 1.112 227 S CA -0.270 57.745 58.200 -0.309 0.000 0.925 227 S CB 1.774 64.687 63.200 -0.478 0.000 1.067 227 S HN 0.752 nan 8.310 nan 0.000 0.479 228 A N 2.299 124.712 122.820 -0.679 0.000 2.305 228 A HA 0.811 5.135 4.320 0.007 0.000 0.322 228 A C -1.496 175.484 177.584 -1.006 0.000 1.187 228 A CA -0.377 51.154 52.037 -0.842 0.000 0.825 228 A CB 0.267 18.502 19.000 -1.275 0.000 1.164 228 A HN 0.752 nan 8.150 nan 0.000 0.498 229 Y N 0.253 119.905 120.300 -1.080 0.000 2.485 229 Y HA 0.676 5.230 4.550 0.007 0.000 0.345 229 Y C -0.757 174.441 175.900 -1.170 0.000 0.998 229 Y CA -0.582 56.898 58.100 -1.032 0.000 1.059 229 Y CB 2.218 39.894 38.460 -1.306 0.000 1.234 229 Y HN 0.589 nan 8.280 nan 0.000 0.461 230 F N 2.413 122.354 119.950 -0.016 0.000 2.556 230 F HA 0.603 5.134 4.527 0.007 0.000 0.314 230 F C -0.935 175.146 175.800 0.469 0.000 1.106 230 F CA -0.857 57.309 58.000 0.277 0.000 0.911 230 F CB 1.510 40.782 39.000 0.454 0.000 1.190 230 F HN 0.126 nan 8.300 nan 0.000 0.448 231 L N 4.755 126.376 121.223 0.663 0.000 2.313 231 L HA 0.710 5.054 4.340 0.007 0.000 0.283 231 L C -0.976 176.244 176.870 0.584 0.000 1.013 231 L CA -0.721 54.402 54.840 0.471 0.000 0.816 231 L CB 1.314 43.576 42.059 0.338 0.000 1.236 231 L HN 0.672 nan 8.230 nan 0.000 0.419 232 F N 1.494 121.615 119.950 0.285 0.000 2.741 232 F HA 0.693 5.224 4.527 0.007 0.000 0.311 232 F C -1.874 174.053 175.800 0.213 0.000 1.149 232 F CA -1.217 56.889 58.000 0.177 0.000 0.930 232 F CB 1.177 40.123 39.000 -0.090 0.000 1.312 232 F HN 0.092 nan 8.300 nan 0.000 0.450 233 L N 2.192 123.601 121.223 0.310 0.000 2.331 233 L HA 0.840 5.184 4.340 0.007 0.000 0.275 233 L C -0.485 176.700 176.870 0.526 0.000 1.022 233 L CA -0.883 54.154 54.840 0.328 0.000 0.812 233 L CB 2.187 44.353 42.059 0.179 0.000 1.257 233 L HN 0.933 nan 8.230 nan 0.000 0.435 234 R N 0.821 121.672 120.500 0.585 0.000 2.690 234 R HA 0.494 4.838 4.340 0.007 0.000 0.269 234 R C -1.458 174.979 176.300 0.228 0.000 1.037 234 R CA -1.059 55.289 56.100 0.413 0.000 0.877 234 R CB 1.220 31.545 30.300 0.042 0.000 1.255 234 R HN 0.403 nan 8.270 nan 0.000 0.467 235 R N 1.013 121.375 120.500 -0.230 0.000 2.442 235 R HA 0.044 4.389 4.340 0.007 0.000 0.291 235 R C -0.712 175.566 176.300 -0.038 0.000 1.069 235 R CA -0.341 55.507 56.100 -0.420 0.000 1.022 235 R CB 0.574 30.496 30.300 -0.631 0.000 0.976 235 R HN 0.565 nan 8.270 nan 0.000 0.443 236 D N 4.523 124.948 120.400 0.041 0.000 2.470 236 D HA 0.030 4.674 4.640 0.007 0.000 0.226 236 D C 0.882 177.199 176.300 0.029 0.000 1.196 236 D CA -0.075 54.010 54.000 0.141 0.000 0.979 236 D CB 0.404 41.309 40.800 0.174 0.000 1.059 236 D HN 0.464 nan 8.370 nan 0.000 0.515 237 L N 2.118 123.353 121.223 0.020 0.000 2.551 237 L HA -0.054 4.290 4.340 0.007 0.000 0.228 237 L C 1.986 178.845 176.870 -0.018 0.000 1.153 237 L CA 0.319 55.121 54.840 -0.062 0.000 0.851 237 L CB -0.133 41.803 42.059 -0.204 0.000 0.959 237 L HN 0.363 nan 8.230 nan 0.000 0.451 238 Q N 0.569 120.377 119.800 0.013 0.000 2.230 238 Q HA 0.095 4.439 4.340 0.007 0.000 0.202 238 Q C 0.998 176.965 176.000 -0.054 0.000 0.963 238 Q CA 0.612 56.385 55.803 -0.051 0.000 0.866 238 Q CB -0.000 28.667 28.738 -0.118 0.000 0.931 238 Q HN 0.447 nan 8.270 nan 0.000 0.452 239 A N 0.912 123.715 122.820 -0.029 0.000 2.327 239 A HA 0.162 4.487 4.320 0.007 0.000 0.283 239 A C 1.024 178.585 177.584 -0.039 0.000 1.127 239 A CA -0.414 51.604 52.037 -0.031 0.000 0.810 239 A CB 0.633 19.624 19.000 -0.015 0.000 1.066 239 A HN 0.054 nan 8.150 nan 0.000 0.492 240 Q N 1.250 121.028 119.800 -0.037 0.000 2.226 240 Q HA -0.148 4.196 4.340 0.007 0.000 0.204 240 Q C 2.296 178.274 176.000 -0.038 0.000 0.975 240 Q CA 1.817 57.598 55.803 -0.037 0.000 0.866 240 Q CB -0.410 28.310 28.738 -0.030 0.000 0.915 240 Q HN 1.017 nan 8.270 nan 0.000 0.440 241 S N 0.484 116.165 115.700 -0.032 0.000 2.419 241 S HA -0.138 4.337 4.470 0.007 0.000 0.233 241 S C 0.889 175.461 174.600 -0.046 0.000 1.016 241 S CA 0.535 58.718 58.200 -0.029 0.000 0.974 241 S CB -0.224 62.966 63.200 -0.018 0.000 0.786 241 S HN 0.387 nan 8.310 nan 0.000 0.492 242 R N 0.623 121.084 120.500 -0.065 0.000 3.722 242 R HA -0.173 4.171 4.340 0.007 0.000 0.284 242 R C 0.365 176.576 176.300 -0.148 0.000 1.165 242 R CA 0.348 56.380 56.100 -0.114 0.000 0.779 242 R CB -2.655 27.564 30.300 -0.136 0.000 1.179 242 R HN 0.669 nan 8.270 nan 0.000 0.491 243 A N 0.387 123.162 122.820 -0.076 0.000 2.386 243 A HA 0.440 4.765 4.320 0.007 0.000 0.248 243 A C 0.178 177.740 177.584 -0.036 0.000 1.082 243 A CA -0.248 51.770 52.037 -0.031 0.000 0.789 243 A CB 0.174 19.189 19.000 0.026 0.000 1.025 243 A HN 0.204 nan 8.150 nan 0.000 0.490 244 F N 0.580 120.554 119.950 0.040 0.000 2.529 244 F HA 0.410 4.942 4.527 0.008 0.000 0.365 244 F C 1.048 176.890 175.800 0.069 0.000 1.102 244 F CA 1.186 59.222 58.000 0.061 0.000 1.271 244 F CB 0.700 39.708 39.000 0.012 0.000 1.120 244 F HN 0.657 nan 8.300 nan 0.000 0.579 245 R N 1.924 122.609 120.500 0.308 0.000 2.744 245 R HA 0.776 5.121 4.340 0.007 0.000 0.279 245 R C -1.315 175.011 176.300 0.043 0.000 0.977 245 R CA -0.859 55.304 56.100 0.107 0.000 0.906 245 R CB 1.510 31.796 30.300 -0.023 0.000 1.197 245 R HN 0.709 nan 8.270 nan 0.000 0.463 246 A N 2.868 125.630 122.820 -0.097 0.000 2.363 246 A HA 0.495 4.819 4.320 0.007 0.000 0.270 246 A C -1.383 175.924 177.584 -0.460 0.000 1.121 246 A CA 0.073 52.056 52.037 -0.090 0.000 0.800 246 A CB 0.204 19.327 19.000 0.205 0.000 1.052 246 A HN 0.644 nan 8.150 nan 0.000 0.493 247 Y N 0.060 120.148 120.300 -0.354 0.000 2.553 247 Y HA 0.516 5.070 4.550 0.007 0.000 0.347 247 Y C -0.094 175.555 175.900 -0.419 0.000 1.019 247 Y CA -0.685 57.138 58.100 -0.461 0.000 1.032 247 Y CB 2.276 40.253 38.460 -0.806 0.000 1.284 247 Y HN 0.551 nan 8.280 nan 0.000 0.466 248 V N 1.933 121.830 119.914 -0.029 0.000 2.513 248 V HA 0.726 4.850 4.120 0.007 0.000 0.299 248 V C -0.792 175.429 176.094 0.212 0.000 1.035 248 V CA -0.158 62.197 62.300 0.091 0.000 0.889 248 V CB 1.734 33.585 31.823 0.046 0.000 0.988 248 V HN 0.759 nan 8.190 nan 0.000 0.440 249 S N 6.114 122.025 115.700 0.352 0.000 2.513 249 S HA 0.742 5.217 4.470 0.007 0.000 0.299 249 S C -0.842 173.800 174.600 0.070 0.000 1.087 249 S CA -0.794 57.571 58.200 0.274 0.000 1.012 249 S CB 1.207 64.809 63.200 0.669 0.000 1.044 249 S HN 0.922 nan 8.310 nan 0.000 0.485 250 R N 3.053 123.414 120.500 -0.231 0.000 2.533 250 R HA 0.727 5.072 4.340 0.007 0.000 0.288 250 R C -2.178 173.910 176.300 -0.353 0.000 1.039 250 R CA -0.481 55.377 56.100 -0.402 0.000 0.909 250 R CB 1.627 31.640 30.300 -0.478 0.000 1.195 250 R HN 0.484 nan 8.270 nan 0.000 0.438 251 V N 4.833 124.558 119.914 -0.315 0.000 2.789 251 V HA 0.405 4.530 4.120 0.007 0.000 0.311 251 V C -0.314 175.610 176.094 -0.285 0.000 1.073 251 V CA -0.734 61.433 62.300 -0.222 0.000 0.921 251 V CB 1.853 33.564 31.823 -0.187 0.000 1.009 251 V HN 0.990 nan 8.190 nan 0.000 0.426 252 c N 5.689 124.185 118.600 -0.173 0.000 2.657 252 c HA 0.152 4.726 4.570 0.007 0.000 0.420 252 c C 2.058 176.101 174.090 -0.079 0.000 1.323 252 c CA -0.080 56.179 56.329 -0.115 0.000 1.894 252 c CB -0.233 42.261 42.510 -0.027 0.000 2.681 252 c HN 0.918 nan 8.230 nan 0.000 0.613 253 L N 2.477 123.667 121.223 -0.055 0.000 2.141 253 L HA -0.132 4.212 4.340 0.007 0.000 0.209 253 L C 2.773 179.736 176.870 0.155 0.000 1.094 253 L CA 1.430 56.306 54.840 0.061 0.000 0.763 253 L CB -0.494 41.583 42.059 0.030 0.000 0.908 253 L HN 0.771 nan 8.230 nan 0.000 0.437 254 R N -0.642 119.908 120.500 0.083 0.000 2.161 254 R HA -0.035 4.310 4.340 0.007 0.000 0.213 254 R C 0.482 176.832 176.300 0.084 0.000 1.055 254 R CA 0.316 56.466 56.100 0.083 0.000 0.996 254 R CB -0.649 29.693 30.300 0.070 0.000 0.901 254 R HN 0.076 nan 8.270 nan 0.000 0.456 255 D N 3.503 123.944 120.400 0.069 0.000 2.356 255 D HA -0.080 4.564 4.640 0.007 0.000 0.272 255 D C 0.646 176.968 176.300 0.036 0.000 1.337 255 D CA 0.104 54.141 54.000 0.062 0.000 0.970 255 D CB 0.796 41.613 40.800 0.028 0.000 1.092 255 D HN 0.343 nan 8.370 nan 0.000 0.516 256 Q N 3.460 123.295 119.800 0.058 0.000 2.280 256 Q HA -0.019 4.326 4.340 0.007 0.000 0.202 256 Q C -0.062 175.773 176.000 -0.276 0.000 0.903 256 Q CA 0.485 56.252 55.803 -0.060 0.000 0.948 256 Q CB 0.029 28.695 28.738 -0.119 0.000 1.058 256 Q HN 0.707 nan 8.270 nan 0.000 0.493 257 H N -1.319 117.619 119.070 -0.220 0.000 3.233 257 H HA 0.128 4.689 4.556 0.007 0.000 0.263 257 H C -0.519 174.721 175.328 -0.146 0.000 1.168 257 H CA -0.335 55.471 56.048 -0.403 0.000 1.159 257 H CB 0.541 29.555 29.762 -1.246 0.000 1.593 257 H HN 0.216 nan 8.280 nan 0.000 0.580 258 Y N -0.446 119.793 120.300 -0.101 0.000 4.272 258 Y HA -0.369 4.185 4.550 0.007 0.000 0.232 258 Y C 0.818 176.834 175.900 0.193 0.000 1.149 258 Y CA -0.157 57.973 58.100 0.049 0.000 1.961 258 Y CB -2.334 36.098 38.460 -0.046 0.000 1.611 258 Y HN 0.255 nan 8.280 nan 0.000 0.682 259 Y N -0.516 119.914 120.300 0.217 0.000 2.181 259 Y HA -0.267 4.287 4.550 0.007 0.000 0.288 259 Y C 2.465 178.461 175.900 0.159 0.000 1.146 259 Y CA 1.613 59.804 58.100 0.151 0.000 1.164 259 Y CB -0.882 37.633 38.460 0.091 0.000 0.982 259 Y HN 0.416 nan 8.280 nan 0.000 0.515 260 S N -1.470 114.406 115.700 0.294 0.000 2.562 260 S HA -0.093 4.382 4.470 0.007 0.000 0.221 260 S C 0.552 175.220 174.600 0.113 0.000 0.975 260 S CA -0.365 57.938 58.200 0.172 0.000 0.918 260 S CB -1.186 62.069 63.200 0.091 0.000 0.772 260 S HN 0.304 nan 8.310 nan 0.000 0.531 261 Y N 1.803 122.137 120.300 0.058 0.000 2.721 261 Y HA 0.366 4.921 4.550 0.007 0.000 0.329 261 Y C -0.179 175.764 175.900 0.071 0.000 1.211 261 Y CA 0.247 58.383 58.100 0.060 0.000 1.512 261 Y CB 0.407 38.956 38.460 0.148 0.000 1.249 261 Y HN 0.102 nan 8.280 nan 0.000 0.549 262 V N 7.112 126.743 119.914 -0.471 0.000 2.808 262 V HA 0.368 4.492 4.120 0.007 0.000 0.308 262 V C -1.217 174.659 176.094 -0.363 0.000 1.099 262 V CA -0.730 61.394 62.300 -0.293 0.000 0.920 262 V CB 2.185 33.920 31.823 -0.146 0.000 1.014 262 V HN 0.840 nan 8.190 nan 0.000 0.425 263 E N 5.502 125.613 120.200 -0.149 0.000 2.183 263 E HA 0.638 4.992 4.350 0.007 0.000 0.271 263 E C -1.443 175.208 176.600 0.084 0.000 0.919 263 E CA -0.631 55.781 56.400 0.021 0.000 0.781 263 E CB 2.236 32.009 29.700 0.121 0.000 1.140 263 E HN 0.526 nan 8.360 nan 0.000 0.402 264 L N 4.056 125.364 121.223 0.141 0.000 2.362 264 L HA 0.474 4.818 4.340 0.007 0.000 0.275 264 L C -2.457 174.475 176.870 0.102 0.000 0.998 264 L CA -2.536 52.369 54.840 0.108 0.000 0.820 264 L CB 1.713 43.794 42.059 0.037 0.000 1.270 264 L HN 0.266 nan 8.230 nan 0.000 0.415 265 P HA 0.224 nan 4.420 nan 0.000 0.275 265 P C -0.848 176.321 177.300 -0.217 0.000 1.227 265 P CA -0.116 62.796 63.100 -0.313 0.000 0.781 265 P CB 0.720 32.274 31.700 -0.243 0.000 0.906 266 L N 1.884 122.942 121.223 -0.275 0.000 2.325 266 L HA 0.725 5.070 4.340 0.007 0.000 0.279 266 L C 0.348 177.164 176.870 -0.089 0.000 1.054 266 L CA -0.682 54.054 54.840 -0.173 0.000 0.804 266 L CB 1.354 43.340 42.059 -0.121 0.000 1.200 266 L HN 0.373 nan 8.230 nan 0.000 0.436 267 A N 2.277 125.100 122.820 0.005 0.000 2.398 267 A HA 0.633 4.958 4.320 0.007 0.000 0.301 267 A C -1.166 176.360 177.584 -0.097 0.000 1.041 267 A CA -0.434 51.564 52.037 -0.064 0.000 0.711 267 A CB 1.683 20.669 19.000 -0.024 0.000 1.240 267 A HN 0.756 nan 8.150 nan 0.000 0.420 268 c N 3.664 122.082 118.600 -0.303 0.000 3.220 268 c HA 0.534 5.108 4.570 0.007 0.000 0.352 268 c C -0.961 173.088 174.090 -0.067 0.000 1.031 268 c CA -0.396 55.736 56.329 -0.328 0.000 1.338 268 c CB -0.412 41.620 42.510 -0.796 0.000 1.763 268 c HN 0.890 nan 8.230 nan 0.000 0.548 269 E N 2.924 123.152 120.200 0.046 0.000 2.133 269 E HA 0.546 4.900 4.350 0.007 0.000 0.274 269 E C 0.866 177.443 176.600 -0.038 0.000 0.930 269 E CA -0.249 56.140 56.400 -0.018 0.000 0.770 269 E CB 1.405 31.119 29.700 0.023 0.000 1.104 269 E HN 1.180 nan 8.360 nan 0.000 0.403 270 G N 2.884 111.655 108.800 -0.050 0.000 2.341 270 G HA2 -0.226 3.739 3.960 0.007 0.000 0.292 270 G HA3 -0.226 3.739 3.960 0.007 0.000 0.292 270 G C 0.986 175.849 174.900 -0.061 0.000 1.021 270 G CA 0.542 45.613 45.100 -0.048 0.000 0.905 270 G HN 1.558 nan 8.290 nan 0.000 0.508 271 G N -1.353 107.400 108.800 -0.079 0.000 2.153 271 G HA2 -0.361 3.603 3.960 0.007 0.000 0.252 271 G HA3 -0.361 3.603 3.960 0.007 0.000 0.252 271 G C 1.220 176.068 174.900 -0.086 0.000 0.994 271 G CA 1.246 46.301 45.100 -0.075 0.000 0.698 271 G HN 0.885 nan 8.290 nan 0.000 0.521 272 R N -1.239 119.178 120.500 -0.139 0.000 2.120 272 R HA -0.020 4.324 4.340 0.007 0.000 0.234 272 R C 0.194 176.226 176.300 -0.446 0.000 1.123 272 R CA 1.337 57.252 56.100 -0.307 0.000 0.975 272 R CB -0.029 30.011 30.300 -0.433 0.000 0.866 272 R HN 0.557 nan 8.270 nan 0.000 0.446 273 Y N -0.918 119.358 120.300 -0.041 0.000 2.863 273 Y HA 0.293 4.847 4.550 0.007 0.000 0.348 273 Y C 1.201 177.129 175.900 0.046 0.000 1.028 273 Y CA -0.696 57.417 58.100 0.023 0.000 1.213 273 Y CB 1.155 39.635 38.460 0.034 0.000 1.120 273 Y HN -0.017 nan 8.280 nan 0.000 0.598 274 G N 1.535 110.434 108.800 0.164 0.000 2.448 274 G HA2 -0.039 3.925 3.960 0.007 0.000 0.218 274 G HA3 -0.039 3.925 3.960 0.007 0.000 0.218 274 G C 0.431 175.500 174.900 0.283 0.000 1.135 274 G CA 0.202 45.398 45.100 0.160 0.000 0.784 274 G HN 0.404 nan 8.290 nan 0.000 0.543 275 L N 1.216 122.619 121.223 0.300 0.000 2.255 275 L HA 0.464 4.808 4.340 0.007 0.000 0.289 275 L C -0.128 176.865 176.870 0.204 0.000 1.046 275 L CA -0.722 54.252 54.840 0.224 0.000 0.816 275 L CB 1.911 44.036 42.059 0.111 0.000 1.197 275 L HN -0.001 nan 8.230 nan 0.000 0.427 276 I N 3.097 123.679 120.570 0.020 0.000 2.588 276 I HA -0.029 4.145 4.170 0.007 0.000 0.283 276 I C 0.864 176.881 176.117 -0.166 0.000 1.119 276 I CA 0.407 61.450 61.300 -0.428 0.000 1.419 276 I CB 0.770 38.412 38.000 -0.596 0.000 1.394 276 I HN 0.749 nan 8.210 nan 0.000 0.562 277 Q N 6.195 125.895 119.800 -0.167 0.000 2.477 277 Q HA 0.459 4.803 4.340 0.007 0.000 0.252 277 Q C -0.214 175.790 176.000 0.007 0.000 0.869 277 Q CA 0.371 56.157 55.803 -0.028 0.000 0.969 277 Q CB 0.977 29.720 28.738 0.007 0.000 1.144 277 Q HN 0.728 nan 8.270 nan 0.000 0.577 278 A N -0.108 122.695 122.820 -0.029 0.000 2.608 278 A HA 0.826 5.150 4.320 0.007 0.000 0.292 278 A C -1.729 175.859 177.584 0.007 0.000 1.066 278 A CA 0.043 52.097 52.037 0.029 0.000 0.676 278 A CB 1.329 20.360 19.000 0.053 0.000 1.277 278 A HN 0.134 nan 8.150 nan 0.000 0.413 279 A N -0.559 122.295 122.820 0.056 0.000 2.612 279 A HA 1.072 5.396 4.320 0.007 0.000 0.293 279 A C -0.584 177.038 177.584 0.064 0.000 1.075 279 A CA 0.111 52.185 52.037 0.062 0.000 0.680 279 A CB 0.964 19.990 19.000 0.044 0.000 1.279 279 A HN 2.743 nan 8.150 nan 0.000 0.411 280 A N 0.073 122.941 122.820 0.080 0.000 2.612 280 A HA 0.752 5.077 4.320 0.007 0.000 0.293 280 A C -1.234 176.422 177.584 0.120 0.000 1.075 280 A CA -0.401 51.684 52.037 0.081 0.000 0.680 280 A CB 0.953 20.038 19.000 0.142 0.000 1.279 280 A HN 1.659 nan 8.150 nan 0.000 0.411 281 V N 0.759 120.719 119.914 0.076 0.000 2.834 281 V HA 0.689 4.814 4.120 0.007 0.000 0.313 281 V C 1.004 177.217 176.094 0.198 0.000 1.060 281 V CA -0.167 62.205 62.300 0.120 0.000 0.989 281 V CB 1.715 33.519 31.823 -0.032 0.000 1.041 281 V HN 1.551 nan 8.190 nan 0.000 0.459 282 A N 2.548 125.505 122.820 0.229 0.000 2.520 282 A HA 0.532 4.857 4.320 0.007 0.000 0.245 282 A C 0.443 178.017 177.584 -0.015 0.000 1.072 282 A CA 0.316 52.410 52.037 0.095 0.000 0.761 282 A CB -0.349 18.722 19.000 0.119 0.000 1.004 282 A HN 1.055 nan 8.150 nan 0.000 0.499 283 T N 0.127 114.606 114.554 -0.125 0.000 2.921 283 T HA 0.796 5.150 4.350 0.007 0.000 0.297 283 T C -0.424 173.798 174.700 -0.796 0.000 1.013 283 T CA 0.006 61.954 62.100 -0.253 0.000 0.990 283 T CB 1.343 70.240 68.868 0.049 0.000 1.023 283 T HN 1.732 nan 8.240 nan 0.000 0.447 289 H N 0.030 119.113 119.070 0.023 0.000 3.287 289 H HA 0.431 4.991 4.556 0.007 0.000 0.329 289 H C 0.474 175.807 175.328 0.008 0.000 1.130 289 H CA -0.214 55.854 56.048 0.033 0.000 1.593 289 H CB 0.763 30.555 29.762 0.049 0.000 1.916 289 H HN 0.679 nan 8.280 nan 0.000 0.503 290 G N 0.686 109.539 108.800 0.089 0.000 2.466 290 G HA2 0.036 4.001 3.960 0.007 0.000 0.279 290 G HA3 0.036 4.001 3.960 0.007 0.000 0.279 290 G C 0.592 175.512 174.900 0.035 0.000 1.410 290 G CA -0.123 45.008 45.100 0.053 0.000 1.065 290 G HN 0.620 nan 8.290 nan 0.000 0.547 291 E N -1.927 118.277 120.200 0.006 0.000 2.630 291 E HA 0.239 4.593 4.350 0.007 0.000 0.218 291 E C -0.631 175.929 176.600 -0.066 0.000 0.977 291 E CA -0.087 56.299 56.400 -0.024 0.000 1.038 291 E CB 1.306 30.997 29.700 -0.016 0.000 1.051 291 E HN 0.067 nan 8.360 nan 0.000 0.487 292 V N 2.156 122.017 119.914 -0.088 0.000 2.487 292 V HA 0.242 4.366 4.120 0.007 0.000 0.298 292 V C -0.657 175.247 176.094 -0.316 0.000 1.028 292 V CA -0.896 61.260 62.300 -0.240 0.000 0.860 292 V CB 1.864 33.474 31.823 -0.355 0.000 0.991 292 V HN 0.101 nan 8.190 nan 0.000 0.427 293 L N 6.108 127.149 121.223 -0.304 0.000 2.261 293 L HA 0.580 4.924 4.340 0.007 0.000 0.289 293 L C -0.910 175.827 176.870 -0.222 0.000 1.059 293 L CA 0.347 55.066 54.840 -0.202 0.000 0.816 293 L CB 0.241 42.248 42.059 -0.088 0.000 1.191 293 L HN 0.446 nan 8.230 nan 0.000 0.431 294 F N 5.276 125.240 119.950 0.023 0.000 2.371 294 F HA 0.633 5.164 4.527 0.007 0.000 0.363 294 F C 0.669 176.506 175.800 0.061 0.000 1.122 294 F CA -0.277 57.747 58.000 0.039 0.000 1.129 294 F CB 1.076 40.080 39.000 0.006 0.000 1.173 294 F HN 0.649 nan 8.300 nan 0.000 0.489 295 A N 2.980 125.957 122.820 0.261 0.000 2.291 295 A HA 0.802 5.126 4.320 0.007 0.000 0.311 295 A C -0.406 177.247 177.584 0.115 0.000 1.224 295 A CA -0.726 51.407 52.037 0.159 0.000 0.821 295 A CB 0.479 19.586 19.000 0.179 0.000 1.172 295 A HN 0.797 nan 8.150 nan 0.000 0.494 296 A N 2.443 125.255 122.820 -0.014 0.000 2.362 296 A HA 0.694 5.018 4.320 0.007 0.000 0.276 296 A C -0.745 176.777 177.584 -0.104 0.000 1.153 296 A CA 0.089 52.114 52.037 -0.020 0.000 0.813 296 A CB -0.305 18.673 19.000 -0.037 0.000 1.081 296 A HN 0.665 nan 8.150 nan 0.000 0.507 297 F N 1.085 121.027 119.950 -0.014 0.000 2.546 297 F HA 0.565 5.096 4.527 0.007 0.000 0.320 297 F C 0.632 176.458 175.800 0.044 0.000 1.076 297 F CA -0.107 57.918 58.000 0.042 0.000 0.928 297 F CB 2.686 41.736 39.000 0.084 0.000 1.189 297 F HN 0.473 nan 8.300 nan 0.000 0.465 298 S N 0.433 116.320 115.700 0.311 0.000 2.542 298 S HA 0.480 4.954 4.470 0.007 0.000 0.293 298 S C -0.789 173.994 174.600 0.306 0.000 1.089 298 S CA -1.016 57.351 58.200 0.278 0.000 0.961 298 S CB 1.747 65.050 63.200 0.172 0.000 1.062 298 S HN 0.642 nan 8.310 nan 0.000 0.483 299 S N 1.681 117.561 115.700 0.299 0.000 2.576 299 S HA 0.618 5.092 4.470 0.007 0.000 0.276 299 S C 0.260 174.922 174.600 0.103 0.000 1.339 299 S CA -0.768 57.520 58.200 0.147 0.000 1.039 299 S CB 0.576 63.804 63.200 0.047 0.000 0.902 299 S HN 0.916 nan 8.310 nan 0.000 0.516 300 A N 2.000 124.861 122.820 0.069 0.000 2.388 300 A HA 0.675 4.999 4.320 0.007 0.000 0.257 300 A C 0.598 178.207 177.584 0.042 0.000 1.095 300 A CA -0.298 51.772 52.037 0.056 0.000 0.791 300 A CB -0.183 18.851 19.000 0.057 0.000 1.029 300 A HN 1.482 nan 8.150 nan 0.000 0.489 301 A N 3.053 125.896 122.820 0.039 0.000 2.293 301 A HA 0.707 5.032 4.320 0.007 0.000 0.302 301 A C -1.721 175.883 177.584 0.034 0.000 1.119 301 A CA -1.240 50.818 52.037 0.034 0.000 0.823 301 A CB -0.716 18.303 19.000 0.033 0.000 1.097 301 A HN 0.765 nan 8.150 nan 0.000 0.491 309 P HA 0.453 nan 4.420 nan 0.000 0.256 309 P C -0.516 176.661 177.300 -0.205 0.000 1.689 309 P CA 0.205 63.053 63.100 -0.420 0.000 1.124 309 P CB 0.487 31.669 31.700 -0.863 0.000 1.766 310 S N 1.537 117.184 115.700 -0.087 0.000 2.565 310 S HA 0.551 5.025 4.470 0.007 0.000 0.274 310 S C 0.501 175.103 174.600 0.003 0.000 1.309 310 S CA -0.473 57.712 58.200 -0.025 0.000 1.043 310 S CB 0.754 63.954 63.200 0.001 0.000 0.939 310 S HN 0.540 nan 8.310 nan 0.000 0.504 311 A N 2.355 125.191 122.820 0.026 0.000 2.354 311 A HA 0.649 4.973 4.320 0.007 0.000 0.269 311 A C 0.492 178.111 177.584 0.057 0.000 1.109 311 A CA -0.589 51.481 52.037 0.055 0.000 0.800 311 A CB 0.022 19.067 19.000 0.075 0.000 1.045 311 A HN 1.033 nan 8.150 nan 0.000 0.489 312 A N 1.854 124.712 122.820 0.063 0.000 2.545 312 A HA 0.484 4.809 4.320 0.007 0.000 0.253 312 A C 0.869 178.493 177.584 0.065 0.000 1.074 312 A CA 0.478 52.549 52.037 0.057 0.000 0.760 312 A CB -0.689 18.344 19.000 0.054 0.000 1.005 312 A HN 1.978 nan 8.150 nan 0.000 0.506 313 A N 2.973 125.826 122.820 0.056 0.000 2.322 313 A HA 0.732 5.056 4.320 0.007 0.000 0.269 313 A C 1.320 178.939 177.584 0.058 0.000 1.094 313 A CA 0.564 52.636 52.037 0.059 0.000 0.807 313 A CB -0.223 18.807 19.000 0.050 0.000 1.047 313 A HN 2.882 nan 8.150 nan 0.000 0.487 314 G N 0.002 108.839 108.800 0.062 0.000 2.569 314 G HA2 0.136 4.101 3.960 0.007 0.000 0.259 314 G HA3 0.136 4.101 3.960 0.007 0.000 0.259 314 G C 1.135 176.072 174.900 0.063 0.000 1.263 314 G CA 0.873 46.008 45.100 0.058 0.000 0.928 314 G HN 2.116 nan 8.290 nan 0.000 0.572 315 A N -0.447 122.405 122.820 0.052 0.000 2.168 315 A HA 0.290 4.614 4.320 0.007 0.000 0.215 315 A C 2.623 180.239 177.584 0.054 0.000 1.152 315 A CA 2.751 54.819 52.037 0.052 0.000 0.716 315 A CB -0.675 18.349 19.000 0.039 0.000 0.794 315 A HN 2.112 nan 8.150 nan 0.000 0.465 316 S N -0.954 114.776 115.700 0.050 0.000 2.453 316 S HA 0.268 4.742 4.470 0.007 0.000 0.231 316 S C 1.040 175.673 174.600 0.055 0.000 1.005 316 S CA 0.434 58.661 58.200 0.045 0.000 0.949 316 S CB -0.310 62.912 63.200 0.037 0.000 0.774 316 S HN 0.697 nan 8.310 nan 0.000 0.510 317 G N 0.074 108.917 108.800 0.072 0.000 2.453 317 G HA2 0.735 4.700 3.960 0.007 0.000 0.323 317 G HA3 0.735 4.700 3.960 0.007 0.000 0.323 317 G C -0.945 174.034 174.900 0.132 0.000 1.198 317 G CA -0.495 44.662 45.100 0.094 0.000 0.959 317 G HN 0.588 nan 8.290 nan 0.000 0.482 318 A N 0.466 123.398 122.820 0.186 0.000 2.430 318 A HA 0.919 5.243 4.320 0.007 0.000 0.300 318 A C -0.155 177.617 177.584 0.314 0.000 1.124 318 A CA -0.581 51.614 52.037 0.264 0.000 0.766 318 A CB 1.845 21.048 19.000 0.338 0.000 1.328 318 A HN 0.870 nan 8.150 nan 0.000 0.424 319 S N -0.920 114.907 115.700 0.211 0.000 2.599 319 S HA 0.880 5.354 4.470 0.007 0.000 0.294 319 S C -0.431 173.981 174.600 -0.314 0.000 1.094 319 S CA 0.008 58.225 58.200 0.028 0.000 0.931 319 S CB 1.838 65.058 63.200 0.032 0.000 1.093 319 S HN 1.719 nan 8.310 nan 0.000 0.488 320 A N 1.203 123.718 122.820 -0.509 0.000 2.539 320 A HA 0.829 5.154 4.320 0.007 0.000 0.296 320 A C -1.834 175.570 177.584 -0.299 0.000 1.073 320 A CA -0.557 51.102 52.037 -0.629 0.000 0.700 320 A CB 1.187 19.451 19.000 -1.227 0.000 1.296 320 A HN 0.651 nan 8.150 nan 0.000 0.405 321 L N 1.276 122.335 121.223 -0.273 0.000 2.325 321 L HA 0.683 5.028 4.340 0.007 0.000 0.281 321 L C -0.908 175.921 176.870 -0.069 0.000 1.004 321 L CA 0.009 54.783 54.840 -0.110 0.000 0.823 321 L CB 1.148 43.114 42.059 -0.155 0.000 1.236 321 L HN 0.770 nan 8.230 nan 0.000 0.415 322 c N 3.725 122.341 118.600 0.027 0.000 2.493 322 c HA 0.909 5.483 4.570 0.007 0.000 0.326 322 c C 0.150 174.093 174.090 -0.245 0.000 1.200 322 c CA -0.658 55.569 56.329 -0.169 0.000 1.739 322 c CB 1.301 43.662 42.510 -0.248 0.000 2.300 322 c HN 0.900 nan 8.230 nan 0.000 0.500 323 A N 2.640 125.166 122.820 -0.490 0.000 2.304 323 A HA 0.839 5.164 4.320 0.007 0.000 0.314 323 A C -1.115 176.093 177.584 -0.626 0.000 1.187 323 A CA -0.246 51.453 52.037 -0.563 0.000 0.810 323 A CB 0.205 18.889 19.000 -0.527 0.000 1.183 323 A HN 0.731 nan 8.150 nan 0.000 0.487 324 F N 3.374 123.182 119.950 -0.237 0.000 2.434 324 F HA 0.371 4.902 4.527 0.007 0.000 0.367 324 F C -2.382 173.315 175.800 -0.173 0.000 1.093 324 F CA -2.293 55.624 58.000 -0.138 0.000 1.085 324 F CB 1.737 40.708 39.000 -0.049 0.000 1.322 324 F HN 0.324 nan 8.300 nan 0.000 0.452 325 P HA 0.042 nan 4.420 nan 0.000 0.263 325 P C 0.890 178.184 177.300 -0.009 0.000 1.195 325 P CA 0.207 63.270 63.100 -0.060 0.000 0.762 325 P CB 0.726 32.392 31.700 -0.055 0.000 0.799 326 L N 1.981 123.179 121.223 -0.040 0.000 2.349 326 L HA -0.215 4.130 4.340 0.007 0.000 0.220 326 L C 1.236 178.106 176.870 0.001 0.000 1.130 326 L CA 1.598 56.412 54.840 -0.044 0.000 0.791 326 L CB -0.685 41.302 42.059 -0.121 0.000 0.918 326 L HN 0.348 nan 8.230 nan 0.000 0.444 327 D N -0.449 119.954 120.400 0.005 0.000 2.149 327 D HA -0.145 4.500 4.640 0.007 0.000 0.201 327 D C 2.085 178.402 176.300 0.028 0.000 0.972 327 D CA 0.742 54.753 54.000 0.019 0.000 0.835 327 D CB 0.051 40.856 40.800 0.008 0.000 0.966 327 D HN 0.305 nan 8.370 nan 0.000 0.476 328 E N 0.215 120.432 120.200 0.029 0.000 2.077 328 E HA -0.135 4.219 4.350 0.007 0.000 0.193 328 E C 2.121 178.757 176.600 0.059 0.000 0.989 328 E CA 0.619 57.045 56.400 0.043 0.000 0.800 328 E CB 0.123 29.854 29.700 0.052 0.000 0.746 328 E HN 0.089 nan 8.360 nan 0.000 0.452 329 V N 1.992 121.948 119.914 0.070 0.000 2.233 329 V HA -0.295 3.829 4.120 0.007 0.000 0.247 329 V C 1.799 177.946 176.094 0.089 0.000 1.050 329 V CA 2.175 64.524 62.300 0.083 0.000 1.010 329 V CB -0.512 31.366 31.823 0.092 0.000 0.637 329 V HN 0.217 nan 8.190 nan 0.000 0.444 330 D N -0.572 119.887 120.400 0.099 0.000 2.117 330 D HA -0.168 4.476 4.640 0.007 0.000 0.197 330 D C 2.310 178.634 176.300 0.039 0.000 0.987 330 D CA 1.291 55.342 54.000 0.086 0.000 0.829 330 D CB -0.304 40.552 40.800 0.094 0.000 0.961 330 D HN 0.271 nan 8.370 nan 0.000 0.460 331 R N -0.021 120.499 120.500 0.033 0.000 2.094 331 R HA -0.144 4.200 4.340 0.007 0.000 0.239 331 R C 2.210 178.517 176.300 0.012 0.000 1.137 331 R CA 0.932 57.042 56.100 0.018 0.000 0.943 331 R CB -0.555 29.757 30.300 0.020 0.000 0.850 331 R HN 0.125 nan 8.270 nan 0.000 0.433 332 L N -0.035 121.200 121.223 0.021 0.000 2.056 332 L HA 0.014 4.359 4.340 0.007 0.000 0.207 332 L C 2.099 178.969 176.870 0.000 0.000 1.078 332 L CA 2.152 57.002 54.840 0.016 0.000 0.749 332 L CB -0.798 41.278 42.059 0.030 0.000 0.901 332 L HN 0.244 nan 8.230 nan 0.000 0.433 333 A N -0.410 122.409 122.820 -0.001 0.000 1.902 333 A HA -0.226 4.098 4.320 0.007 0.000 0.217 333 A C 2.077 179.622 177.584 -0.064 0.000 1.181 333 A CA 1.909 53.927 52.037 -0.031 0.000 0.623 333 A CB -0.823 18.160 19.000 -0.027 0.000 0.818 333 A HN 0.579 nan 8.150 nan 0.000 0.443 334 N N 0.129 118.798 118.700 -0.051 0.000 2.084 334 N HA -0.175 4.569 4.740 0.007 0.000 0.190 334 N C 1.813 177.274 175.510 -0.083 0.000 1.030 334 N CA 1.812 54.818 53.050 -0.074 0.000 0.849 334 N CB -0.471 37.991 38.487 -0.042 0.000 1.012 334 N HN 0.756 nan 8.380 nan 0.000 0.423 335 R N -0.510 119.962 120.500 -0.047 0.000 2.189 335 R HA 0.118 4.463 4.340 0.007 0.000 0.218 335 R C 1.479 177.754 176.300 -0.042 0.000 1.074 335 R CA 1.238 57.316 56.100 -0.037 0.000 0.991 335 R CB -0.744 29.549 30.300 -0.012 0.000 0.883 335 R HN 0.009 nan 8.270 nan 0.000 0.457 336 T N 1.221 115.746 114.554 -0.050 0.000 2.812 336 T HA -0.099 4.255 4.350 0.007 0.000 0.264 336 T C 1.751 176.393 174.700 -0.095 0.000 1.042 336 T CA 1.317 63.388 62.100 -0.047 0.000 1.140 336 T CB -0.176 68.669 68.868 -0.039 0.000 0.870 336 T HN 0.339 nan 8.240 nan 0.000 0.445 337 R N 1.279 121.668 120.500 -0.185 0.000 2.075 337 R HA -0.162 4.182 4.340 0.007 0.000 0.230 337 R C 1.850 177.894 176.300 -0.428 0.000 1.140 337 R CA 2.188 58.041 56.100 -0.410 0.000 0.928 337 R CB -0.525 29.467 30.300 -0.514 0.000 0.834 337 R HN 0.222 nan 8.270 nan 0.000 0.429 338 D N 0.584 120.821 120.400 -0.270 0.000 2.133 338 D HA -0.220 4.425 4.640 0.007 0.000 0.192 338 D C 1.796 178.084 176.300 -0.020 0.000 1.001 338 D CA 1.905 55.831 54.000 -0.124 0.000 0.844 338 D CB -0.506 40.255 40.800 -0.065 0.000 0.944 338 D HN 0.471 nan 8.370 nan 0.000 0.447 339 A N 0.337 123.150 122.820 -0.012 0.000 1.845 339 A HA -0.214 4.110 4.320 0.007 0.000 0.215 339 A C 2.534 180.158 177.584 0.067 0.000 1.195 339 A CA 1.723 53.778 52.037 0.030 0.000 0.616 339 A CB -1.272 17.745 19.000 0.028 0.000 0.832 339 A HN 0.438 nan 8.150 nan 0.000 0.443 340 c N -1.691 116.952 118.600 0.071 0.000 2.411 340 c HA -0.115 4.460 4.570 0.007 0.000 0.279 340 c C 2.481 176.713 174.090 0.237 0.000 1.288 340 c CA 1.073 57.481 56.329 0.132 0.000 1.764 340 c CB -1.565 41.016 42.510 0.118 0.000 1.974 340 c HN 0.661 nan 8.230 nan 0.000 0.498 341 Y N 0.137 120.432 120.300 -0.008 0.000 2.201 341 Y HA -0.093 4.461 4.550 0.007 0.000 0.292 341 Y C 2.968 178.867 175.900 -0.001 0.000 1.119 341 Y CA 1.517 59.605 58.100 -0.019 0.000 1.127 341 Y CB -0.276 38.175 38.460 -0.015 0.000 1.019 341 Y HN 0.460 nan 8.280 nan 0.000 0.514 342 T N -1.283 113.388 114.554 0.195 0.000 3.033 342 T HA -0.006 4.349 4.350 0.007 0.000 0.248 342 T C 1.158 175.905 174.700 0.078 0.000 1.040 342 T CA -0.006 62.163 62.100 0.117 0.000 1.133 342 T CB -0.082 68.850 68.868 0.108 0.000 0.895 342 T HN 0.260 nan 8.240 nan 0.000 0.465 343 R N 1.459 122.003 120.500 0.072 0.000 2.865 343 R HA 0.335 4.680 4.340 0.007 0.000 0.370 343 R C -0.591 175.741 176.300 0.054 0.000 1.168 343 R CA -0.270 55.863 56.100 0.054 0.000 1.058 343 R CB -0.519 29.808 30.300 0.044 0.000 1.419 343 R HN 0.384 nan 8.270 nan 0.000 0.580 344 E N 0.181 120.417 120.200 0.060 0.000 2.539 344 E HA -0.265 4.089 4.350 0.007 0.000 0.253 344 E C 0.591 177.232 176.600 0.069 0.000 1.145 344 E CA 0.781 57.216 56.400 0.059 0.000 0.738 344 E CB -1.637 28.091 29.700 0.046 0.000 1.308 344 E HN 0.914 nan 8.360 nan 0.000 0.409 345 G N -0.093 108.753 108.800 0.076 0.000 2.196 345 G HA2 -0.448 3.516 3.960 0.007 0.000 0.268 345 G HA3 -0.448 3.516 3.960 0.007 0.000 0.268 345 G C 0.914 175.857 174.900 0.072 0.000 0.975 345 G CA 1.161 46.311 45.100 0.083 0.000 0.648 345 G HN 0.410 nan 8.290 nan 0.000 0.538 346 R N 0.540 121.074 120.500 0.057 0.000 2.055 346 R HA 0.510 4.854 4.340 0.007 0.000 0.226 346 R C 1.686 178.009 176.300 0.040 0.000 1.135 346 R CA 1.573 57.700 56.100 0.046 0.000 0.959 346 R CB -0.313 30.010 30.300 0.038 0.000 0.854 346 R HN 1.794 nan 8.270 nan 0.000 0.431 347 A N 1.941 124.783 122.820 0.037 0.000 1.563 347 A HA -0.175 4.149 4.320 0.007 0.000 0.268 347 A C -0.264 177.335 177.584 0.025 0.000 1.078 347 A CA 0.634 52.689 52.037 0.030 0.000 0.560 347 A CB -1.486 17.530 19.000 0.028 0.000 1.588 347 A HN 0.535 nan 8.150 nan 0.000 0.222 348 E N 2.365 122.578 120.200 0.023 0.000 2.467 348 E HA 0.256 4.610 4.350 0.007 0.000 0.264 348 E C 0.861 177.471 176.600 0.017 0.000 1.020 348 E CA 0.381 56.793 56.400 0.019 0.000 0.945 348 E CB 0.570 30.281 29.700 0.018 0.000 0.942 348 E HN 0.707 nan 8.360 nan 0.000 0.449 349 D N 2.796 123.205 120.400 0.015 0.000 2.106 349 D HA 0.024 4.669 4.640 0.007 0.000 0.203 349 D C 0.538 176.847 176.300 0.015 0.000 0.977 349 D CA 1.159 55.167 54.000 0.014 0.000 0.844 349 D CB -0.476 40.331 40.800 0.011 0.000 1.002 349 D HN 0.518 nan 8.370 nan 0.000 0.461 350 G N -1.043 107.766 108.800 0.014 0.000 2.732 350 G HA2 0.590 4.555 3.960 0.007 0.000 0.295 350 G HA3 0.590 4.555 3.960 0.007 0.000 0.295 350 G C -1.182 173.728 174.900 0.017 0.000 1.456 350 G CA -0.226 44.883 45.100 0.015 0.000 1.050 350 G HN 0.627 nan 8.290 nan 0.000 0.525 351 T N -0.924 113.642 114.554 0.021 0.000 3.258 351 T HA 0.321 4.675 4.350 0.007 0.000 0.419 351 T C -0.565 174.150 174.700 0.026 0.000 1.631 351 T CA -0.382 61.733 62.100 0.024 0.000 1.040 351 T CB 0.375 69.254 68.868 0.020 0.000 1.655 351 T HN 1.491 nan 8.240 nan 0.000 0.465 352 E N 0.872 121.094 120.200 0.036 0.000 3.243 352 E HA -0.118 4.236 4.350 0.007 0.000 0.178 352 E C -0.157 176.478 176.600 0.058 0.000 1.421 352 E CA 0.608 57.034 56.400 0.043 0.000 0.787 352 E CB -1.104 28.608 29.700 0.020 0.000 1.099 352 E HN 0.702 nan 8.360 nan 0.000 0.396 353 V N 0.099 120.062 119.914 0.081 0.000 3.359 353 V HA 0.416 4.540 4.120 0.007 0.000 0.245 353 V C 0.576 176.755 176.094 0.143 0.000 1.247 353 V CA 1.123 63.478 62.300 0.091 0.000 1.145 353 V CB 1.180 33.038 31.823 0.059 0.000 0.906 353 V HN 0.543 nan 8.190 nan 0.000 0.464 354 A N 0.017 122.933 122.820 0.161 0.000 2.498 354 A HA 0.882 5.207 4.320 0.007 0.000 0.298 354 A C -1.216 176.531 177.584 0.273 0.000 1.075 354 A CA -0.437 51.704 52.037 0.174 0.000 0.714 354 A CB 1.802 20.841 19.000 0.065 0.000 1.299 354 A HN 0.453 nan 8.150 nan 0.000 0.407 355 Y N -0.744 119.581 120.300 0.041 0.000 2.764 355 Y HA 0.757 5.311 4.550 0.007 0.000 0.331 355 Y C -1.265 174.664 175.900 0.048 0.000 1.280 355 Y CA -1.886 56.239 58.100 0.040 0.000 1.065 355 Y CB 0.563 39.041 38.460 0.030 0.000 1.319 355 Y HN 0.412 nan 8.280 nan 0.000 0.453 356 I N 2.353 122.973 120.570 0.084 0.000 2.331 356 I HA 0.363 4.537 4.170 0.007 0.000 0.292 356 I C 0.133 176.264 176.117 0.024 0.000 0.998 356 I CA -0.509 60.795 61.300 0.007 0.000 1.267 356 I CB 0.858 38.900 38.000 0.070 0.000 1.386 356 I HN 0.705 nan 8.210 nan 0.000 0.476 357 E N 4.583 124.714 120.200 -0.115 0.000 2.330 357 E HA 0.300 4.654 4.350 0.007 0.000 0.256 357 E C -0.667 175.907 176.600 -0.043 0.000 1.146 357 E CA -0.192 56.110 56.400 -0.164 0.000 0.945 357 E CB 0.377 29.802 29.700 -0.460 0.000 1.182 357 E HN 0.311 nan 8.360 nan 0.000 0.480 358 Y N 0.392 120.651 120.300 -0.069 0.000 4.079 358 Y HA -0.296 4.258 4.550 0.007 0.000 0.223 358 Y C 0.282 176.215 175.900 0.056 0.000 1.155 358 Y CA 1.033 59.036 58.100 -0.162 0.000 1.805 358 Y CB -1.926 36.351 38.460 -0.305 0.000 1.571 358 Y HN 0.689 nan 8.280 nan 0.000 0.654 359 D N -1.976 118.553 120.400 0.215 0.000 2.911 359 D HA -0.185 4.459 4.640 0.007 0.000 0.227 359 D C 0.414 176.790 176.300 0.126 0.000 1.164 359 D CA 1.088 55.191 54.000 0.171 0.000 0.782 359 D CB -0.986 39.921 40.800 0.179 0.000 1.094 359 D HN 0.476 nan 8.370 nan 0.000 0.425 360 V N 0.471 120.457 119.914 0.120 0.000 2.614 360 V HA 0.174 4.299 4.120 0.007 0.000 0.291 360 V C 0.795 176.932 176.094 0.072 0.000 1.049 360 V CA -0.453 61.899 62.300 0.087 0.000 1.038 360 V CB 1.617 33.486 31.823 0.076 0.000 0.980 360 V HN 0.060 nan 8.190 nan 0.000 0.481 361 N N 4.640 123.373 118.700 0.055 0.000 2.950 361 N HA 0.136 4.881 4.740 0.007 0.000 0.313 361 N C -0.407 175.124 175.510 0.036 0.000 1.213 361 N CA 0.665 53.741 53.050 0.043 0.000 1.184 361 N CB -0.600 37.907 38.487 0.034 0.000 1.454 361 N HN 0.877 nan 8.380 nan 0.000 0.532 362 S N 0.706 116.431 115.700 0.042 0.000 2.618 362 S HA 0.588 5.063 4.470 0.007 0.000 0.277 362 S C -1.669 172.956 174.600 0.041 0.000 1.138 362 S CA -0.740 57.479 58.200 0.031 0.000 0.844 362 S CB 1.144 64.363 63.200 0.033 0.000 1.127 362 S HN 0.444 nan 8.310 nan 0.000 0.474 363 D N 0.048 120.466 120.400 0.030 0.000 2.583 363 D HA 0.459 5.103 4.640 0.007 0.000 0.248 363 D C -0.928 175.393 176.300 0.036 0.000 1.209 363 D CA -0.404 53.622 54.000 0.043 0.000 0.848 363 D CB 1.114 41.935 40.800 0.035 0.000 1.431 363 D HN 0.577 nan 8.370 nan 0.000 0.436 364 c N 1.176 119.810 118.600 0.057 0.000 2.649 364 c HA 0.789 5.363 4.570 0.007 0.000 0.377 364 c C 0.682 174.796 174.090 0.040 0.000 1.321 364 c CA -0.015 56.351 56.329 0.062 0.000 2.368 364 c CB -0.086 42.475 42.510 0.086 0.000 2.597 364 c HN 0.667 nan 8.230 nan 0.000 0.678 365 A N 0.685 123.529 122.820 0.040 0.000 2.524 365 A HA 0.686 5.010 4.320 0.007 0.000 0.286 365 A C -0.506 177.100 177.584 0.037 0.000 1.203 365 A CA -0.355 51.694 52.037 0.020 0.000 0.736 365 A CB 0.956 19.941 19.000 -0.026 0.000 1.322 365 A HN 0.768 nan 8.150 nan 0.000 0.424 366 Q N 0.296 120.111 119.800 0.026 0.000 2.241 366 Q HA 0.430 4.775 4.340 0.007 0.000 0.296 366 Q C -0.824 175.196 176.000 0.034 0.000 0.889 366 Q CA -0.106 55.717 55.803 0.034 0.000 1.089 366 Q CB -0.237 28.517 28.738 0.027 0.000 1.195 366 Q HN 0.683 nan 8.270 nan 0.000 0.451 367 L N 1.925 123.167 121.223 0.033 0.000 2.492 367 L HA 0.138 4.482 4.340 0.007 0.000 0.280 367 L C -1.774 175.134 176.870 0.064 0.000 1.240 367 L CA -1.544 53.319 54.840 0.038 0.000 0.831 367 L CB -0.019 42.046 42.059 0.010 0.000 1.100 367 L HN 0.207 nan 8.230 nan 0.000 0.505 368 P HA -0.052 nan 4.420 nan 0.000 0.267 368 P C 0.832 178.187 177.300 0.092 0.000 1.201 368 P CA -0.204 62.939 63.100 0.072 0.000 0.775 368 P CB 0.453 32.196 31.700 0.071 0.000 0.854 369 V N 1.715 121.674 119.914 0.076 0.000 2.407 369 V HA -0.239 3.886 4.120 0.007 0.000 0.248 369 V C 1.678 177.827 176.094 0.091 0.000 1.055 369 V CA 2.075 64.421 62.300 0.078 0.000 1.049 369 V CB -1.156 30.699 31.823 0.054 0.000 0.662 369 V HN 0.596 nan 8.190 nan 0.000 0.455 370 D N 0.162 120.612 120.400 0.084 0.000 2.265 370 D HA -0.166 4.479 4.640 0.007 0.000 0.208 370 D C 2.035 178.410 176.300 0.125 0.000 0.977 370 D CA 1.735 55.782 54.000 0.079 0.000 0.871 370 D CB -0.276 40.559 40.800 0.059 0.000 0.925 370 D HN 0.471 nan 8.370 nan 0.000 0.485 371 T N 1.828 116.497 114.554 0.192 0.000 2.759 371 T HA -0.120 4.234 4.350 0.007 0.000 0.269 371 T C 2.290 177.183 174.700 0.321 0.000 1.042 371 T CA 0.567 62.859 62.100 0.321 0.000 1.140 371 T CB -0.219 68.815 68.868 0.277 0.000 0.864 371 T HN 0.204 nan 8.240 nan 0.000 0.455 372 L N 0.647 122.011 121.223 0.235 0.000 2.017 372 L HA -0.132 4.212 4.340 0.007 0.000 0.208 372 L C 2.322 179.263 176.870 0.119 0.000 1.073 372 L CA 1.584 56.531 54.840 0.179 0.000 0.745 372 L CB -0.643 41.474 42.059 0.096 0.000 0.894 372 L HN 0.210 nan 8.230 nan 0.000 0.432 373 D N -0.016 120.429 120.400 0.076 0.000 2.137 373 D HA -0.057 4.588 4.640 0.007 0.000 0.202 373 D C 2.272 178.561 176.300 -0.019 0.000 0.970 373 D CA 1.163 55.179 54.000 0.026 0.000 0.837 373 D CB -0.065 40.742 40.800 0.011 0.000 0.981 373 D HN 0.250 nan 8.370 nan 0.000 0.475 374 A N 0.089 122.873 122.820 -0.061 0.000 1.883 374 A HA -0.150 4.174 4.320 0.007 0.000 0.217 374 A C 0.313 177.620 177.584 -0.463 0.000 1.186 374 A CA 1.208 53.056 52.037 -0.314 0.000 0.624 374 A CB -0.574 18.182 19.000 -0.406 0.000 0.822 374 A HN 0.330 nan 8.150 nan 0.000 0.444 375 Y N -1.190 119.181 120.300 0.118 0.000 2.747 375 Y HA 0.347 4.901 4.550 0.007 0.000 0.362 375 Y C -2.020 173.980 175.900 0.166 0.000 1.026 375 Y CA -2.250 55.931 58.100 0.135 0.000 1.135 375 Y CB 0.702 39.238 38.460 0.126 0.000 1.175 375 Y HN 0.213 nan 8.280 nan 0.000 0.643 376 P HA -0.114 nan 4.420 nan 0.000 0.216 376 P C 0.689 178.076 177.300 0.144 0.000 1.153 376 P CA 1.419 64.597 63.100 0.130 0.000 0.848 376 P CB 0.340 32.081 31.700 0.068 0.000 0.787 377 c N -0.963 117.741 118.600 0.174 0.000 2.614 377 c HA 0.626 5.201 4.570 0.007 0.000 0.299 377 c C 1.332 175.583 174.090 0.267 0.000 1.293 377 c CA 0.073 56.508 56.329 0.176 0.000 1.713 377 c CB -1.619 40.974 42.510 0.138 0.000 1.890 377 c HN 0.453 nan 8.230 nan 0.000 0.602 378 G N 1.002 109.990 108.800 0.313 0.000 2.741 378 G HA2 0.069 4.034 3.960 0.007 0.000 0.222 378 G HA3 0.069 4.034 3.960 0.007 0.000 0.222 378 G C -0.333 174.609 174.900 0.070 0.000 1.364 378 G CA -0.001 45.221 45.100 0.203 0.000 0.866 378 G HN 0.730 nan 8.290 nan 0.000 0.555 379 S N -1.917 113.528 115.700 -0.425 0.000 2.757 379 S HA 0.547 5.021 4.470 0.007 0.000 0.285 379 S C 0.959 174.770 174.600 -1.314 0.000 1.196 379 S CA 0.952 58.782 58.200 -0.618 0.000 0.856 379 S CB 1.104 63.986 63.200 -0.530 0.000 1.212 379 S HN 1.474 nan 8.310 nan 0.000 0.516 380 D N 0.882 120.783 120.400 -0.832 0.000 2.264 380 D HA -0.153 4.492 4.640 0.007 0.000 0.208 380 D C 1.257 177.315 176.300 -0.402 0.000 0.966 380 D CA 1.664 55.302 54.000 -0.603 0.000 0.864 380 D CB -0.640 40.047 40.800 -0.190 0.000 0.933 380 D HN 0.766 nan 8.370 nan 0.000 0.499 381 H N 0.190 118.952 119.070 -0.513 0.000 2.592 381 H HA 0.113 4.674 4.556 0.007 0.000 0.265 381 H C 0.201 175.275 175.328 -0.424 0.000 0.955 381 H CA 0.483 56.292 56.048 -0.399 0.000 1.175 381 H CB -0.730 28.813 29.762 -0.365 0.000 1.433 381 H HN 0.109 nan 8.280 nan 0.000 0.537 382 T N 0.859 114.817 114.554 -0.994 0.000 2.909 382 T HA 0.364 4.718 4.350 0.007 0.000 0.286 382 T C -2.604 171.799 174.700 -0.496 0.000 1.002 382 T CA -1.925 59.614 62.100 -0.935 0.000 1.074 382 T CB 1.928 70.030 68.868 -1.276 0.000 0.984 382 T HN 0.066 nan 8.240 nan 0.000 0.495 383 P HA 0.319 nan 4.420 nan 0.000 0.268 383 P C -0.646 176.665 177.300 0.018 0.000 1.204 383 P CA -0.133 62.911 63.100 -0.094 0.000 0.768 383 P CB 0.800 32.492 31.700 -0.013 0.000 0.842 384 S N 2.941 118.670 115.700 0.048 0.000 2.533 384 S HA 0.590 5.064 4.470 0.007 0.000 0.271 384 S C -3.036 171.637 174.600 0.122 0.000 1.143 384 S CA -1.348 56.929 58.200 0.129 0.000 0.891 384 S CB 1.528 64.844 63.200 0.193 0.000 1.105 384 S HN 0.248 nan 8.310 nan 0.000 0.468 385 P HA 0.431 nan 4.420 nan 0.000 0.290 385 P C -0.969 176.412 177.300 0.134 0.000 1.276 385 P CA -0.583 62.657 63.100 0.232 0.000 0.808 385 P CB 0.629 32.514 31.700 0.308 0.000 0.966 386 M N 2.146 121.813 119.600 0.113 0.000 2.288 386 M HA 0.658 5.142 4.480 0.007 0.000 0.334 386 M C 0.262 176.481 176.300 -0.135 0.000 1.150 386 M CA -0.193 55.086 55.300 -0.035 0.000 1.118 386 M CB 1.285 33.886 32.600 0.001 0.000 1.501 386 M HN 0.410 nan 8.290 nan 0.000 0.462 387 A N 1.063 123.676 122.820 -0.346 0.000 2.574 387 A HA 0.643 4.967 4.320 0.007 0.000 0.297 387 A C -1.066 176.343 177.584 -0.292 0.000 1.062 387 A CA -0.695 51.120 52.037 -0.369 0.000 0.686 387 A CB 1.802 20.459 19.000 -0.571 0.000 1.285 387 A HN 0.648 nan 8.150 nan 0.000 0.403 388 S N -0.103 115.589 115.700 -0.013 0.000 2.562 388 S HA 0.367 4.841 4.470 0.007 0.000 0.275 388 S C 1.064 175.842 174.600 0.298 0.000 1.281 388 S CA -0.594 57.677 58.200 0.118 0.000 1.045 388 S CB 0.562 63.808 63.200 0.077 0.000 0.962 388 S HN 0.642 nan 8.310 nan 0.000 0.503 389 R N 2.123 122.795 120.500 0.288 0.000 2.080 389 R HA 0.102 4.446 4.340 0.007 0.000 0.222 389 R C 0.182 176.550 176.300 0.112 0.000 1.107 389 R CA 0.631 56.855 56.100 0.208 0.000 0.980 389 R CB -0.370 30.010 30.300 0.132 0.000 0.879 389 R HN 0.476 nan 8.270 nan 0.000 0.439 390 V N 5.244 125.212 119.914 0.091 0.000 2.479 390 V HA 0.074 4.198 4.120 0.007 0.000 0.281 390 V C -1.928 174.196 176.094 0.051 0.000 1.031 390 V CA -1.059 61.274 62.300 0.056 0.000 1.038 390 V CB 0.933 32.785 31.823 0.048 0.000 0.981 390 V HN 0.148 nan 8.190 nan 0.000 0.478 391 P HA 0.324 nan 4.420 nan 0.000 0.283 391 P C -0.874 176.442 177.300 0.026 0.000 1.271 391 P CA -0.905 62.201 63.100 0.011 0.000 0.841 391 P CB 1.259 32.949 31.700 -0.018 0.000 1.122 392 L N 0.939 122.176 121.223 0.024 0.000 2.295 392 L HA 0.340 4.685 4.340 0.007 0.000 0.288 392 L C 0.101 177.078 176.870 0.178 0.000 1.079 392 L CA -0.035 54.855 54.840 0.083 0.000 0.830 392 L CB -0.579 41.513 42.059 0.056 0.000 1.200 392 L HN 0.299 nan 8.230 nan 0.000 0.438 393 E N 3.655 123.941 120.200 0.144 0.000 2.227 393 E HA 0.717 5.071 4.350 0.007 0.000 0.282 393 E C -1.082 175.553 176.600 0.058 0.000 1.015 393 E CA -0.485 55.979 56.400 0.107 0.000 0.823 393 E CB 1.153 30.872 29.700 0.032 0.000 1.081 393 E HN 0.802 nan 8.360 nan 0.000 0.396 394 A N 2.700 125.489 122.820 -0.052 0.000 2.449 394 A HA 0.515 4.840 4.320 0.007 0.000 0.302 394 A C -0.495 176.952 177.584 -0.230 0.000 1.048 394 A CA -0.793 51.062 52.037 -0.304 0.000 0.708 394 A CB 1.569 20.012 19.000 -0.928 0.000 1.274 394 A HN 0.595 nan 8.150 nan 0.000 0.410 395 T N 0.770 115.212 114.554 -0.188 0.000 2.837 395 T HA 0.702 5.056 4.350 0.007 0.000 0.285 395 T C -2.572 172.041 174.700 -0.145 0.000 0.984 395 T CA -1.804 60.222 62.100 -0.122 0.000 1.049 395 T CB 0.885 69.710 68.868 -0.071 0.000 0.947 395 T HN 0.330 nan 8.240 nan 0.000 0.472 396 P HA 0.240 nan 4.420 nan 0.000 0.270 396 P C 0.800 178.039 177.300 -0.103 0.000 1.223 396 P CA -0.499 62.514 63.100 -0.144 0.000 0.785 396 P CB 0.374 31.968 31.700 -0.175 0.000 0.923 397 I N -1.836 118.671 120.570 -0.105 0.000 4.187 397 I HA 0.406 4.581 4.170 0.007 0.000 0.326 397 I C 0.175 176.254 176.117 -0.063 0.000 1.302 397 I CA 0.275 61.538 61.300 -0.061 0.000 1.196 397 I CB 0.260 38.240 38.000 -0.033 0.000 1.095 397 I HN 0.060 nan 8.210 nan 0.000 0.411 398 L N 1.419 122.558 121.223 -0.140 0.000 2.464 398 L HA 0.574 4.918 4.340 0.007 0.000 0.266 398 L C -1.559 175.141 176.870 -0.282 0.000 0.965 398 L CA -0.061 54.639 54.840 -0.234 0.000 0.833 398 L CB 2.437 44.221 42.059 -0.457 0.000 1.296 398 L HN 0.075 nan 8.230 nan 0.000 0.405 399 E N 4.787 124.912 120.200 -0.126 0.000 2.528 399 E HA 0.225 4.579 4.350 0.007 0.000 0.277 399 E C -1.980 174.771 176.600 0.251 0.000 0.980 399 E CA -0.463 55.914 56.400 -0.038 0.000 0.796 399 E CB 1.041 30.776 29.700 0.059 0.000 1.427 399 E HN 0.353 nan 8.360 nan 0.000 0.394 400 W N 3.828 125.115 121.300 -0.022 0.000 2.278 400 W HA 0.330 4.994 4.660 0.007 0.000 0.317 400 W C -2.151 174.395 176.519 0.044 0.000 1.030 400 W CA -2.748 54.596 57.345 -0.002 0.000 1.334 400 W CB 0.587 30.014 29.460 -0.055 0.000 1.215 400 W HN 0.448 nan 8.180 nan 0.000 0.405 401 P HA -0.047 nan 4.420 nan 0.000 0.223 401 P C 1.358 178.747 177.300 0.148 0.000 1.151 401 P CA 1.523 64.734 63.100 0.186 0.000 0.787 401 P CB 0.493 32.274 31.700 0.136 0.000 0.788 402 G N -1.831 107.044 108.800 0.125 0.000 3.519 402 G HA2 0.302 4.267 3.960 0.007 0.000 0.269 402 G HA3 0.302 4.267 3.960 0.007 0.000 0.269 402 G C 0.149 175.116 174.900 0.112 0.000 1.028 402 G CA -0.028 45.131 45.100 0.098 0.000 0.809 402 G HN 0.163 nan 8.290 nan 0.000 0.521 403 I N 0.330 120.997 120.570 0.161 0.000 2.493 403 I HA 0.351 4.526 4.170 0.007 0.000 0.298 403 I C -0.791 175.437 176.117 0.184 0.000 0.998 403 I CA -0.873 60.536 61.300 0.183 0.000 1.137 403 I CB 2.383 40.517 38.000 0.222 0.000 1.310 403 I HN -0.151 nan 8.210 nan 0.000 0.445 404 Q N 6.021 125.917 119.800 0.159 0.000 2.506 404 Q HA 0.452 4.796 4.340 0.007 0.000 0.242 404 Q C -0.974 175.105 176.000 0.132 0.000 1.060 404 Q CA -0.179 55.705 55.803 0.135 0.000 0.826 404 Q CB 1.052 29.858 28.738 0.113 0.000 1.169 404 Q HN 0.490 nan 8.270 nan 0.000 0.521 405 L N 1.293 122.583 121.223 0.112 0.000 2.499 405 L HA 0.079 4.423 4.340 0.007 0.000 0.273 405 L C 1.215 178.135 176.870 0.084 0.000 1.195 405 L CA 0.487 55.380 54.840 0.090 0.000 0.882 405 L CB 0.397 42.462 42.059 0.010 0.000 1.133 405 L HN 0.735 nan 8.230 nan 0.000 0.483 406 T N -1.373 113.240 114.554 0.099 0.000 2.954 406 T HA 0.452 4.807 4.350 0.007 0.000 0.252 406 T C 0.266 175.022 174.700 0.093 0.000 0.983 406 T CA 0.296 62.452 62.100 0.093 0.000 0.941 406 T CB 0.669 69.597 68.868 0.100 0.000 1.141 406 T HN 0.602 nan 8.240 nan 0.000 0.500 407 A N 0.700 123.580 122.820 0.099 0.000 2.520 407 A HA 0.751 5.076 4.320 0.007 0.000 0.298 407 A C -1.413 176.229 177.584 0.096 0.000 1.051 407 A CA -0.674 51.423 52.037 0.099 0.000 0.690 407 A CB 2.069 21.132 19.000 0.105 0.000 1.281 407 A HN 0.325 nan 8.150 nan 0.000 0.402 408 V N 0.555 120.524 119.914 0.092 0.000 2.638 408 V HA 0.861 4.985 4.120 0.007 0.000 0.306 408 V C 0.034 176.195 176.094 0.110 0.000 1.052 408 V CA -0.067 62.290 62.300 0.096 0.000 0.885 408 V CB 1.623 33.500 31.823 0.090 0.000 0.999 408 V HN 1.695 nan 8.190 nan 0.000 0.424 409 A N 4.041 126.946 122.820 0.141 0.000 2.437 409 A HA 0.898 5.222 4.320 0.007 0.000 0.293 409 A C -1.377 176.402 177.584 0.325 0.000 1.038 409 A CA -0.498 51.651 52.037 0.186 0.000 0.708 409 A CB 1.925 20.897 19.000 -0.046 0.000 1.251 409 A HN 0.705 nan 8.150 nan 0.000 0.409 410 V N 1.221 121.330 119.914 0.326 0.000 2.656 410 V HA 0.858 4.982 4.120 0.007 0.000 0.307 410 V C 0.235 176.434 176.094 0.176 0.000 1.051 410 V CA -0.266 62.120 62.300 0.144 0.000 0.893 410 V CB 1.952 33.568 31.823 -0.345 0.000 0.999 410 V HN 1.081 nan 8.190 nan 0.000 0.426 411 T N 3.629 118.215 114.554 0.053 0.000 2.804 411 T HA 0.716 5.070 4.350 0.007 0.000 0.290 411 T C -1.323 173.251 174.700 -0.211 0.000 1.099 411 T CA -0.607 61.347 62.100 -0.243 0.000 1.011 411 T CB 1.825 70.377 68.868 -0.526 0.000 1.291 411 T HN 0.562 nan 8.240 nan 0.000 0.523 412 M N 2.818 122.232 119.600 -0.310 0.000 2.090 412 M HA 0.376 4.860 4.480 0.007 0.000 0.277 412 M C -1.492 174.646 176.300 -0.270 0.000 0.935 412 M CA -0.629 54.519 55.300 -0.252 0.000 0.966 412 M CB 1.638 34.097 32.600 -0.235 0.000 1.635 412 M HN 0.681 nan 8.290 nan 0.000 0.446 413 E N 2.559 122.607 120.200 -0.253 0.000 2.151 413 E HA 0.213 4.567 4.350 0.007 0.000 0.275 413 E C -0.334 176.144 176.600 -0.204 0.000 0.936 413 E CA 0.100 56.340 56.400 -0.267 0.000 0.777 413 E CB 1.003 30.409 29.700 -0.490 0.000 1.108 413 E HN 0.631 nan 8.360 nan 0.000 0.401 414 D N 3.822 124.081 120.400 -0.234 0.000 2.701 414 D HA -0.242 4.403 4.640 0.007 0.000 0.235 414 D C 0.820 176.877 176.300 -0.405 0.000 1.155 414 D CA 2.203 56.034 54.000 -0.281 0.000 0.649 414 D CB -1.114 39.515 40.800 -0.285 0.000 1.050 414 D HN 0.941 nan 8.370 nan 0.000 0.425 415 G N -0.966 107.630 108.800 -0.340 0.000 2.267 415 G HA2 -0.374 3.591 3.960 0.007 0.000 0.257 415 G HA3 -0.374 3.591 3.960 0.007 0.000 0.257 415 G C 0.201 174.878 174.900 -0.372 0.000 0.998 415 G CA 0.461 45.344 45.100 -0.362 0.000 0.620 415 G HN 0.696 nan 8.290 nan 0.000 0.529 416 H N 1.270 120.239 119.070 -0.168 0.000 2.646 416 H HA 0.528 5.089 4.556 0.007 0.000 0.325 416 H C 0.421 175.640 175.328 -0.182 0.000 1.075 416 H CA 0.499 56.472 56.048 -0.125 0.000 1.421 416 H CB 0.965 30.743 29.762 0.026 0.000 1.461 416 H HN 0.112 nan 8.280 nan 0.000 0.525 417 T N 4.902 119.391 114.554 -0.109 0.000 2.814 417 T HA 0.320 4.674 4.350 0.007 0.000 0.297 417 T C 0.338 174.932 174.700 -0.176 0.000 0.956 417 T CA -0.165 61.834 62.100 -0.169 0.000 1.123 417 T CB -0.053 68.712 68.868 -0.171 0.000 0.902 417 T HN 0.375 nan 8.240 nan 0.000 0.528 418 I N 2.442 122.947 120.570 -0.108 0.000 2.498 418 I HA 0.631 4.805 4.170 0.007 0.000 0.290 418 I C -0.118 176.020 176.117 0.035 0.000 1.032 418 I CA -1.117 60.182 61.300 -0.001 0.000 1.073 418 I CB 1.900 39.955 38.000 0.092 0.000 1.251 418 I HN 0.606 nan 8.210 nan 0.000 0.426 419 A N 6.053 128.853 122.820 -0.032 0.000 2.331 419 A HA 0.803 5.128 4.320 0.007 0.000 0.320 419 A C -1.243 176.319 177.584 -0.037 0.000 1.138 419 A CA -0.316 51.723 52.037 0.004 0.000 0.790 419 A CB 0.523 19.456 19.000 -0.111 0.000 1.206 419 A HN 0.559 nan 8.150 nan 0.000 0.470 420 F N 2.636 122.661 119.950 0.125 0.000 2.332 420 F HA 0.487 5.018 4.527 0.007 0.000 0.368 420 F C -0.119 175.736 175.800 0.091 0.000 1.110 420 F CA -0.219 57.850 58.000 0.117 0.000 1.087 420 F CB 1.305 40.361 39.000 0.093 0.000 1.235 420 F HN 0.340 nan 8.300 nan 0.000 0.470 421 L N 3.079 124.445 121.223 0.237 0.000 2.329 421 L HA 0.801 5.146 4.340 0.007 0.000 0.279 421 L C 0.374 177.428 176.870 0.308 0.000 1.014 421 L CA -0.906 54.064 54.840 0.217 0.000 0.814 421 L CB 1.848 43.978 42.059 0.119 0.000 1.257 421 L HN 0.643 nan 8.230 nan 0.000 0.424 422 G N 0.530 109.470 108.800 0.232 0.000 2.420 422 G HA2 0.603 4.567 3.960 0.007 0.000 0.331 422 G HA3 0.603 4.567 3.960 0.007 0.000 0.331 422 G C -1.529 173.509 174.900 0.230 0.000 1.168 422 G CA -0.239 44.996 45.100 0.225 0.000 0.936 422 G HN 0.662 nan 8.290 nan 0.000 0.479 423 D N -1.571 118.974 120.400 0.242 0.000 2.533 423 D HA 0.350 4.995 4.640 0.007 0.000 0.247 423 D C 1.412 177.805 176.300 0.155 0.000 1.056 423 D CA -0.044 54.088 54.000 0.220 0.000 1.054 423 D CB 0.976 41.962 40.800 0.311 0.000 1.400 423 D HN 0.337 nan 8.370 nan 0.000 0.533 424 S N -0.856 114.925 115.700 0.135 0.000 2.442 424 S HA -0.192 4.283 4.470 0.007 0.000 0.236 424 S C 1.062 175.718 174.600 0.094 0.000 1.007 424 S CA 0.770 59.032 58.200 0.104 0.000 0.965 424 S CB -0.428 62.828 63.200 0.094 0.000 0.773 424 S HN 0.489 nan 8.310 nan 0.000 0.504 425 Q N 0.683 120.546 119.800 0.105 0.000 2.220 425 Q HA 0.298 4.643 4.340 0.007 0.000 0.205 425 Q C 1.045 177.088 176.000 0.071 0.000 0.865 425 Q CA 0.477 56.330 55.803 0.083 0.000 0.960 425 Q CB 0.241 29.029 28.738 0.082 0.000 1.097 425 Q HN 0.766 nan 8.270 nan 0.000 0.493 426 G N 1.737 110.585 108.800 0.080 0.000 2.225 426 G HA2 -0.211 3.753 3.960 0.007 0.000 0.264 426 G HA3 -0.211 3.753 3.960 0.007 0.000 0.264 426 G C -0.074 174.847 174.900 0.036 0.000 1.060 426 G CA 0.040 45.177 45.100 0.062 0.000 0.833 426 G HN 0.151 nan 8.290 nan 0.000 0.498 427 Q N -1.284 118.540 119.800 0.040 0.000 2.215 427 Q HA 0.783 5.127 4.340 0.007 0.000 0.256 427 Q C -0.262 175.683 176.000 -0.092 0.000 0.972 427 Q CA -0.966 54.788 55.803 -0.081 0.000 0.889 427 Q CB 2.285 30.920 28.738 -0.172 0.000 1.281 427 Q HN 0.552 nan 8.270 nan 0.000 0.456 428 L N 2.123 123.215 121.223 -0.219 0.000 2.404 428 L HA 0.364 4.709 4.340 0.007 0.000 0.272 428 L C -1.204 175.533 176.870 -0.222 0.000 0.980 428 L CA -0.143 54.650 54.840 -0.078 0.000 0.836 428 L CB 0.995 43.080 42.059 0.044 0.000 1.238 428 L HN 0.542 nan 8.230 nan 0.000 0.408 429 H N 4.670 123.797 119.070 0.095 0.000 2.499 429 H HA 0.592 5.152 4.556 0.007 0.000 0.340 429 H C -0.735 174.551 175.328 -0.071 0.000 1.148 429 H CA -0.936 55.138 56.048 0.043 0.000 1.215 429 H CB 1.696 31.584 29.762 0.211 0.000 1.529 429 H HN 0.464 nan 8.280 nan 0.000 0.510 430 R N 1.533 121.913 120.500 -0.201 0.000 2.480 430 R HA 0.497 4.841 4.340 0.007 0.000 0.306 430 R C -1.162 174.891 176.300 -0.411 0.000 0.958 430 R CA -0.851 54.880 56.100 -0.614 0.000 0.861 430 R CB 2.173 31.761 30.300 -1.187 0.000 1.171 430 R HN 0.237 nan 8.270 nan 0.000 0.445 431 V N 3.451 123.298 119.914 -0.112 0.000 2.483 431 V HA 0.197 4.322 4.120 0.007 0.000 0.297 431 V C -0.851 175.375 176.094 0.220 0.000 1.027 431 V CA -1.081 61.298 62.300 0.132 0.000 0.855 431 V CB 1.329 33.237 31.823 0.141 0.000 0.995 431 V HN 0.662 nan 8.190 nan 0.000 0.424 432 Y N 5.321 125.763 120.300 0.236 0.000 2.402 432 Y HA 0.501 5.055 4.550 0.007 0.000 0.333 432 Y C 0.090 176.046 175.900 0.094 0.000 1.076 432 Y CA -0.309 57.880 58.100 0.148 0.000 1.299 432 Y CB 1.138 39.714 38.460 0.193 0.000 1.197 432 Y HN 0.533 nan 8.280 nan 0.000 0.517 433 L N 7.357 128.316 121.223 -0.440 0.000 3.154 433 L HA 0.440 4.785 4.340 0.007 0.000 0.266 433 L C 0.682 177.250 176.870 -0.503 0.000 1.300 433 L CA -0.007 54.625 54.840 -0.348 0.000 1.028 433 L CB 0.069 42.003 42.059 -0.209 0.000 1.412 433 L HN 0.887 nan 8.230 nan 0.000 0.564 434 G N -0.454 107.714 108.800 -1.054 0.000 2.606 434 G HA2 0.474 4.438 3.960 0.007 0.000 0.262 434 G HA3 0.474 4.438 3.960 0.007 0.000 0.262 434 G C -2.493 172.385 174.900 -0.036 0.000 1.394 434 G CA -0.938 43.851 45.100 -0.518 0.000 1.044 434 G HN 0.088 nan 8.290 nan 0.000 0.553 435 P HA 0.182 nan 4.420 nan 0.000 0.263 435 P C 0.478 177.909 177.300 0.218 0.000 1.195 435 P CA 1.167 64.368 63.100 0.169 0.000 0.762 435 P CB 0.570 32.377 31.700 0.178 0.000 0.799 436 G N 2.469 111.356 108.800 0.145 0.000 2.367 436 G HA2 -0.078 3.886 3.960 0.007 0.000 0.295 436 G HA3 -0.078 3.886 3.960 0.007 0.000 0.295 436 G C -0.079 174.923 174.900 0.169 0.000 1.019 436 G CA 0.200 45.379 45.100 0.132 0.000 1.224 436 G HN 0.896 nan 8.290 nan 0.000 0.510 437 S N -0.454 115.344 115.700 0.164 0.000 2.571 437 S HA 0.685 5.159 4.470 0.007 0.000 0.284 437 S C -0.438 174.238 174.600 0.127 0.000 1.128 437 S CA -0.324 57.988 58.200 0.186 0.000 0.970 437 S CB 2.571 65.956 63.200 0.307 0.000 1.039 437 S HN 0.675 nan 8.310 nan 0.000 0.485 438 D N 1.297 121.781 120.400 0.139 0.000 2.358 438 D HA 0.376 5.020 4.640 0.007 0.000 0.244 438 D C 1.358 177.750 176.300 0.154 0.000 1.163 438 D CA -0.466 53.622 54.000 0.147 0.000 0.945 438 D CB -0.085 40.828 40.800 0.188 0.000 1.152 438 D HN 0.676 nan 8.370 nan 0.000 0.451 439 G N -0.921 107.987 108.800 0.179 0.000 2.959 439 G HA2 -0.127 3.837 3.960 0.007 0.000 0.203 439 G HA3 -0.127 3.837 3.960 0.007 0.000 0.203 439 G C 0.383 175.589 174.900 0.510 0.000 1.176 439 G CA 0.366 45.600 45.100 0.224 0.000 0.860 439 G HN 0.814 nan 8.290 nan 0.000 0.507 440 H N 0.369 119.649 119.070 0.351 0.000 2.764 440 H HA 0.464 5.024 4.556 0.007 0.000 0.341 440 H C -2.562 172.929 175.328 0.272 0.000 1.072 440 H CA -2.700 53.506 56.048 0.263 0.000 1.444 440 H CB 0.939 30.771 29.762 0.117 0.000 1.458 440 H HN -0.069 nan 8.280 nan 0.000 0.572 441 P HA 0.017 nan 4.420 nan 0.000 0.286 441 P C -0.047 177.439 177.300 0.309 0.000 1.269 441 P CA -0.436 62.814 63.100 0.250 0.000 0.787 441 P CB 0.283 32.065 31.700 0.137 0.000 0.920 442 Y N 1.170 121.594 120.300 0.207 0.000 2.509 442 Y HA 0.203 4.757 4.550 0.008 0.000 0.293 442 Y C 0.493 176.504 175.900 0.185 0.000 1.133 442 Y CA 0.148 58.393 58.100 0.241 0.000 1.283 442 Y CB -0.082 38.552 38.460 0.289 0.000 1.001 442 Y HN 0.334 nan 8.280 nan 0.000 0.555 443 S N -0.868 114.750 115.700 -0.136 0.000 2.552 443 S HA 0.654 5.129 4.470 0.007 0.000 0.272 443 S C -1.309 173.224 174.600 -0.111 0.000 1.150 443 S CA -0.484 57.656 58.200 -0.099 0.000 0.849 443 S CB 1.571 64.683 63.200 -0.146 0.000 1.113 443 S HN 0.193 nan 8.310 nan 0.000 0.458 444 T N 3.374 117.881 114.554 -0.079 0.000 2.971 444 T HA 0.628 4.983 4.350 0.007 0.000 0.304 444 T C -1.421 173.193 174.700 -0.143 0.000 1.038 444 T CA -0.704 61.297 62.100 -0.164 0.000 1.007 444 T CB 1.534 70.328 68.868 -0.123 0.000 1.055 444 T HN 0.760 nan 8.240 nan 0.000 0.451 445 Q N 0.813 120.507 119.800 -0.178 0.000 2.456 445 Q HA 0.745 5.089 4.340 0.007 0.000 0.283 445 Q C -1.266 174.673 176.000 -0.101 0.000 1.084 445 Q CA -0.935 54.809 55.803 -0.098 0.000 0.801 445 Q CB 2.092 30.804 28.738 -0.043 0.000 1.434 445 Q HN 0.464 nan 8.270 nan 0.000 0.419 446 S N 1.606 117.272 115.700 -0.056 0.000 2.475 446 S HA 0.316 4.790 4.470 0.007 0.000 0.281 446 S C 0.812 175.402 174.600 -0.016 0.000 1.198 446 S CA -0.714 57.465 58.200 -0.036 0.000 1.063 446 S CB 0.351 63.539 63.200 -0.021 0.000 0.972 446 S HN 0.604 nan 8.310 nan 0.000 0.486 447 I N 3.259 123.826 120.570 -0.005 0.000 2.429 447 I HA 0.181 4.355 4.170 0.007 0.000 0.247 447 I C 0.958 177.083 176.117 0.013 0.000 1.099 447 I CA 0.977 62.284 61.300 0.011 0.000 1.422 447 I CB -0.742 37.273 38.000 0.025 0.000 1.112 447 I HN 0.703 nan 8.210 nan 0.000 0.430 448 Q N 1.636 121.447 119.800 0.018 0.000 2.536 448 Q HA 0.168 4.513 4.340 0.007 0.000 0.231 448 Q C -1.354 174.662 176.000 0.027 0.000 0.811 448 Q CA -0.610 55.205 55.803 0.020 0.000 0.966 448 Q CB 1.053 29.807 28.738 0.027 0.000 1.512 448 Q HN 0.178 nan 8.270 nan 0.000 0.456 449 Q N 2.015 121.827 119.800 0.020 0.000 2.398 449 Q HA 0.262 4.606 4.340 0.007 0.000 0.329 449 Q C 1.148 177.169 176.000 0.035 0.000 1.079 449 Q CA 1.345 57.162 55.803 0.024 0.000 1.041 449 Q CB -0.252 28.496 28.738 0.017 0.000 1.084 449 Q HN 0.930 nan 8.270 nan 0.000 0.386 450 G N 1.226 110.051 108.800 0.042 0.000 2.168 450 G HA2 -0.315 3.650 3.960 0.007 0.000 0.263 450 G HA3 -0.315 3.650 3.960 0.007 0.000 0.263 450 G C 0.113 175.046 174.900 0.056 0.000 0.977 450 G CA 0.423 45.552 45.100 0.048 0.000 0.659 450 G HN 1.058 nan 8.290 nan 0.000 0.533 451 S N 0.009 115.746 115.700 0.061 0.000 2.530 451 S HA 0.757 5.231 4.470 0.007 0.000 0.322 451 S C 0.556 175.200 174.600 0.073 0.000 1.085 451 S CA 0.610 58.853 58.200 0.071 0.000 1.096 451 S CB 0.929 64.177 63.200 0.081 0.000 0.988 451 S HN 1.812 nan 8.310 nan 0.000 0.466 452 A N 4.503 127.367 122.820 0.074 0.000 2.567 452 A HA 0.343 4.667 4.320 0.007 0.000 0.240 452 A C 0.292 177.926 177.584 0.084 0.000 1.053 452 A CA -0.110 51.976 52.037 0.080 0.000 0.755 452 A CB -0.130 18.915 19.000 0.073 0.000 0.978 452 A HN 0.882 nan 8.150 nan 0.000 0.507 453 V N 3.558 123.528 119.914 0.093 0.000 2.572 453 V HA 0.164 4.288 4.120 0.007 0.000 0.291 453 V C 1.202 177.353 176.094 0.095 0.000 1.039 453 V CA 0.217 62.573 62.300 0.094 0.000 1.055 453 V CB 1.090 32.976 31.823 0.104 0.000 0.969 453 V HN 1.013 nan 8.190 nan 0.000 0.482 454 S N 4.213 119.969 115.700 0.093 0.000 2.572 454 S HA 0.133 4.607 4.470 0.007 0.000 0.279 454 S C 1.388 176.054 174.600 0.110 0.000 1.341 454 S CA -0.253 58.007 58.200 0.099 0.000 1.043 454 S CB 0.362 63.623 63.200 0.102 0.000 0.887 454 S HN 0.713 nan 8.310 nan 0.000 0.516 455 R N 1.503 122.078 120.500 0.125 0.000 2.159 455 R HA -0.079 4.266 4.340 0.007 0.000 0.237 455 R C 0.167 176.546 176.300 0.131 0.000 1.131 455 R CA 1.318 57.497 56.100 0.131 0.000 0.982 455 R CB -0.252 30.142 30.300 0.156 0.000 0.868 455 R HN 0.622 nan 8.270 nan 0.000 0.453 456 D N 1.070 121.557 120.400 0.145 0.000 2.636 456 D HA -0.014 4.630 4.640 0.007 0.000 0.256 456 D C -0.338 176.019 176.300 0.094 0.000 1.280 456 D CA 0.544 54.628 54.000 0.139 0.000 0.910 456 D CB -0.355 40.554 40.800 0.181 0.000 1.045 456 D HN 0.161 nan 8.370 nan 0.000 0.472 457 L N 0.659 121.920 121.223 0.063 0.000 2.456 457 L HA 0.129 4.473 4.340 0.007 0.000 0.277 457 L C 0.781 177.616 176.870 -0.060 0.000 1.124 457 L CA 0.252 55.084 54.840 -0.014 0.000 0.880 457 L CB 0.614 42.654 42.059 -0.033 0.000 1.192 457 L HN -0.078 nan 8.230 nan 0.000 0.463 458 T N 3.700 118.214 114.554 -0.066 0.000 2.881 458 T HA 0.518 4.872 4.350 0.007 0.000 0.290 458 T C -0.259 174.418 174.700 -0.039 0.000 1.000 458 T CA -0.485 61.609 62.100 -0.011 0.000 0.978 458 T CB 0.542 69.465 68.868 0.091 0.000 0.997 458 T HN 0.127 nan 8.240 nan 0.000 0.443 459 F N 3.057 123.030 119.950 0.038 0.000 2.390 459 F HA 0.382 4.914 4.527 0.008 0.000 0.307 459 F C 1.349 177.108 175.800 -0.068 0.000 1.227 459 F CA -0.317 57.627 58.000 -0.093 0.000 1.179 459 F CB 0.567 39.457 39.000 -0.184 0.000 1.280 459 F HN 0.664 nan 8.300 nan 0.000 0.548 460 D N -0.201 120.243 120.400 0.073 0.000 2.478 460 D HA 0.229 4.874 4.640 0.007 0.000 0.269 460 D C 1.312 177.486 176.300 -0.209 0.000 1.232 460 D CA -0.334 53.722 54.000 0.094 0.000 1.059 460 D CB -0.069 40.801 40.800 0.116 0.000 1.104 460 D HN 0.547 nan 8.370 nan 0.000 0.566 461 G N -1.379 107.346 108.800 -0.125 0.000 2.442 461 G HA2 -0.235 3.730 3.960 0.007 0.000 0.219 461 G HA3 -0.235 3.730 3.960 0.007 0.000 0.219 461 G C 1.319 176.106 174.900 -0.188 0.000 1.141 461 G CA 1.604 46.601 45.100 -0.172 0.000 0.763 461 G HN 0.696 nan 8.290 nan 0.000 0.554 462 T N -3.319 111.186 114.554 -0.082 0.000 3.081 462 T HA 0.264 4.618 4.350 0.007 0.000 0.250 462 T C 0.933 175.743 174.700 0.183 0.000 1.100 462 T CA 0.016 62.153 62.100 0.062 0.000 1.038 462 T CB -0.322 68.585 68.868 0.064 0.000 0.962 462 T HN 0.389 nan 8.240 nan 0.000 0.516 463 F N 1.458 121.414 119.950 0.009 0.000 3.040 463 F HA -0.172 4.360 4.527 0.007 0.000 0.298 463 F C 0.931 176.707 175.800 -0.041 0.000 0.948 463 F CA 0.498 58.467 58.000 -0.053 0.000 1.022 463 F CB -2.475 36.393 39.000 -0.219 0.000 1.023 463 F HN 0.338 nan 8.300 nan 0.000 0.742 464 E N -1.643 118.592 120.200 0.059 0.000 2.413 464 E HA 0.140 4.494 4.350 0.007 0.000 0.203 464 E C 0.139 176.447 176.600 -0.488 0.000 0.957 464 E CA 0.385 56.700 56.400 -0.140 0.000 0.950 464 E CB 0.422 30.091 29.700 -0.052 0.000 0.957 464 E HN 0.552 nan 8.360 nan 0.000 0.497 465 H N -0.876 118.138 119.070 -0.092 0.000 2.928 465 H HA 0.475 5.035 4.556 0.007 0.000 0.371 465 H C -1.526 173.621 175.328 -0.302 0.000 1.186 465 H CA -0.805 55.103 56.048 -0.234 0.000 1.134 465 H CB 2.041 31.582 29.762 -0.369 0.000 1.824 465 H HN -0.104 nan 8.280 nan 0.000 0.554 466 L N 1.898 122.927 121.223 -0.324 0.000 2.381 466 L HA 0.429 4.774 4.340 0.007 0.000 0.274 466 L C -1.610 174.993 176.870 -0.444 0.000 0.988 466 L CA -0.571 53.973 54.840 -0.493 0.000 0.824 466 L CB 0.684 42.312 42.059 -0.718 0.000 1.263 466 L HN 0.542 nan 8.230 nan 0.000 0.410 467 Y N 4.608 124.816 120.300 -0.152 0.000 2.436 467 Y HA 0.477 5.031 4.550 0.007 0.000 0.343 467 Y C -0.040 175.812 175.900 -0.080 0.000 1.008 467 Y CA -0.368 57.681 58.100 -0.084 0.000 1.241 467 Y CB 0.976 39.395 38.460 -0.068 0.000 1.153 467 Y HN 0.285 nan 8.280 nan 0.000 0.521 468 V N 5.823 125.777 119.914 0.066 0.000 2.376 468 V HA 0.373 4.497 4.120 0.007 0.000 0.287 468 V C -0.228 175.917 176.094 0.084 0.000 1.015 468 V CA -1.010 61.320 62.300 0.051 0.000 0.834 468 V CB 1.411 33.249 31.823 0.025 0.000 1.001 468 V HN 0.809 nan 8.190 nan 0.000 0.428 469 M N 4.820 124.476 119.600 0.093 0.000 2.364 469 M HA 0.631 5.116 4.480 0.007 0.000 0.334 469 M C 0.193 176.549 176.300 0.092 0.000 1.107 469 M CA -0.127 55.235 55.300 0.103 0.000 0.988 469 M CB 2.160 34.831 32.600 0.120 0.000 1.673 469 M HN 0.922 nan 8.290 nan 0.000 0.441 470 T N -0.146 114.461 114.554 0.088 0.000 2.870 470 T HA 0.312 4.666 4.350 0.007 0.000 0.277 470 T C 0.732 175.495 174.700 0.105 0.000 1.000 470 T CA -0.538 61.614 62.100 0.087 0.000 0.982 470 T CB 1.008 69.921 68.868 0.074 0.000 1.249 470 T HN 0.816 nan 8.240 nan 0.000 0.589 471 Q N -0.024 119.852 119.800 0.126 0.000 2.291 471 Q HA 0.022 4.366 4.340 0.007 0.000 0.206 471 Q C 1.519 177.638 176.000 0.199 0.000 0.976 471 Q CA 1.568 57.487 55.803 0.194 0.000 0.875 471 Q CB -0.188 28.698 28.738 0.247 0.000 0.927 471 Q HN 0.460 nan 8.270 nan 0.000 0.450 472 S N -1.040 114.720 115.700 0.100 0.000 2.632 472 S HA 0.173 4.647 4.470 0.007 0.000 0.237 472 S C -0.264 174.305 174.600 -0.052 0.000 1.037 472 S CA 0.084 58.277 58.200 -0.012 0.000 1.009 472 S CB 1.331 64.491 63.200 -0.068 0.000 0.974 472 S HN 0.438 nan 8.310 nan 0.000 0.544 473 T N 1.060 115.615 114.554 0.002 0.000 2.843 473 T HA 0.690 5.045 4.350 0.007 0.000 0.302 473 T C -2.331 172.411 174.700 0.069 0.000 1.232 473 T CA -0.443 61.653 62.100 -0.006 0.000 1.009 473 T CB 1.476 70.331 68.868 -0.022 0.000 1.254 473 T HN 0.079 nan 8.240 nan 0.000 0.504 474 L N 3.965 125.250 121.223 0.104 0.000 2.438 474 L HA 0.785 5.130 4.340 0.007 0.000 0.270 474 L C -1.948 174.998 176.870 0.126 0.000 0.972 474 L CA -0.472 54.456 54.840 0.147 0.000 0.831 474 L CB 1.378 43.569 42.059 0.219 0.000 1.273 474 L HN 0.615 nan 8.230 nan 0.000 0.405 475 L N 3.729 125.012 121.223 0.100 0.000 2.354 475 L HA 0.583 4.928 4.340 0.007 0.000 0.269 475 L C -0.320 176.576 176.870 0.044 0.000 1.005 475 L CA -0.906 53.973 54.840 0.065 0.000 0.819 475 L CB 1.908 43.987 42.059 0.033 0.000 1.311 475 L HN 0.588 nan 8.230 nan 0.000 0.423 476 K N 2.254 122.656 120.400 0.003 0.000 2.244 476 K HA 0.392 4.716 4.320 0.007 0.000 0.263 476 K C -1.174 175.399 176.600 -0.045 0.000 1.103 476 K CA -0.403 55.807 56.287 -0.128 0.000 0.966 476 K CB 0.830 33.226 32.500 -0.173 0.000 1.429 476 K HN 0.394 nan 8.250 nan 0.000 0.434 477 V N 6.703 126.578 119.914 -0.065 0.000 2.385 477 V HA 0.194 4.319 4.120 0.007 0.000 0.269 477 V C -2.105 173.972 176.094 -0.029 0.000 1.043 477 V CA -2.066 60.225 62.300 -0.016 0.000 0.906 477 V CB 0.783 32.592 31.823 -0.023 0.000 0.995 477 V HN 0.700 nan 8.190 nan 0.000 0.467 478 P HA 0.035 nan 4.420 nan 0.000 0.268 478 P C 1.010 178.192 177.300 -0.196 0.000 1.205 478 P CA -0.035 62.895 63.100 -0.283 0.000 0.771 478 P CB 0.759 32.333 31.700 -0.209 0.000 0.858 479 V N 0.436 120.173 119.914 -0.294 0.000 2.759 479 V HA 0.185 4.309 4.120 0.007 0.000 0.256 479 V C 0.640 176.514 176.094 -0.368 0.000 1.080 479 V CA 1.623 63.790 62.300 -0.222 0.000 1.101 479 V CB -1.286 30.404 31.823 -0.221 0.000 0.698 479 V HN 0.621 nan 8.190 nan 0.000 0.477 480 A N -1.246 121.373 122.820 -0.333 0.000 2.599 480 A HA 0.784 5.108 4.320 0.007 0.000 0.290 480 A C -0.116 177.436 177.584 -0.053 0.000 1.101 480 A CA 0.207 52.139 52.037 -0.174 0.000 0.674 480 A CB 1.223 20.070 19.000 -0.255 0.000 1.277 480 A HN 0.232 nan 8.150 nan 0.000 0.419 481 S N -0.211 115.518 115.700 0.049 0.000 3.025 481 S HA 0.136 4.610 4.470 0.007 0.000 0.251 481 S C 0.859 175.519 174.600 0.101 0.000 0.954 481 S CA 0.155 58.383 58.200 0.047 0.000 1.092 481 S CB -0.434 62.782 63.200 0.028 0.000 1.079 481 S HN 0.754 nan 8.310 nan 0.000 0.543 482 c N 1.637 120.337 118.600 0.167 0.000 2.385 482 c HA -0.271 4.303 4.570 0.007 0.000 0.275 482 c C 3.005 177.231 174.090 0.227 0.000 1.199 482 c CA 1.387 57.871 56.329 0.259 0.000 1.782 482 c CB -1.477 41.189 42.510 0.260 0.000 2.068 482 c HN 0.797 nan 8.230 nan 0.000 0.471 483 A N 1.329 124.226 122.820 0.128 0.000 1.958 483 A HA -0.338 3.986 4.320 0.007 0.000 0.221 483 A C 2.201 179.809 177.584 0.040 0.000 1.178 483 A CA 2.402 54.489 52.037 0.083 0.000 0.642 483 A CB -0.888 18.139 19.000 0.043 0.000 0.816 483 A HN 0.889 nan 8.150 nan 0.000 0.453 484 Q N -0.960 118.808 119.800 -0.053 0.000 2.226 484 Q HA -0.146 4.198 4.340 0.007 0.000 0.204 484 Q C 0.024 175.843 176.000 -0.301 0.000 0.975 484 Q CA 1.155 56.828 55.803 -0.216 0.000 0.866 484 Q CB -0.460 28.088 28.738 -0.317 0.000 0.915 484 Q HN 0.762 nan 8.270 nan 0.000 0.440 485 H N 0.856 119.990 119.070 0.106 0.000 2.594 485 H HA 0.194 4.755 4.556 0.007 0.000 0.304 485 H C 0.790 176.239 175.328 0.201 0.000 1.068 485 H CA -0.185 55.945 56.048 0.136 0.000 1.308 485 H CB 1.326 31.190 29.762 0.169 0.000 1.409 485 H HN 0.214 nan 8.280 nan 0.000 0.460 486 L N 1.293 122.658 121.223 0.237 0.000 2.209 486 L HA -0.019 4.326 4.340 0.007 0.000 0.207 486 L C 0.738 177.764 176.870 0.261 0.000 1.094 486 L CA 0.563 55.545 54.840 0.236 0.000 0.790 486 L CB -0.067 42.075 42.059 0.137 0.000 0.932 486 L HN 0.517 nan 8.230 nan 0.000 0.447 487 D N -1.833 118.591 120.400 0.039 0.000 2.442 487 D HA 0.059 4.703 4.640 0.007 0.000 0.254 487 D C 0.813 176.611 176.300 -0.837 0.000 1.069 487 D CA -0.711 53.088 54.000 -0.336 0.000 1.017 487 D CB 1.272 41.938 40.800 -0.224 0.000 1.172 487 D HN -0.110 nan 8.370 nan 0.000 0.561 488 c N 0.073 117.826 118.600 -1.412 0.000 2.457 488 c HA 0.159 4.733 4.570 0.007 0.000 0.278 488 c C 2.750 176.498 174.090 -0.570 0.000 1.309 488 c CA 1.427 56.903 56.329 -1.422 0.000 1.735 488 c CB -1.650 39.935 42.510 -1.541 0.000 1.992 488 c HN 0.683 nan 8.230 nan 0.000 0.493 489 A N -0.162 122.410 122.820 -0.413 0.000 1.859 489 A HA -0.200 4.124 4.320 0.007 0.000 0.217 489 A C 2.476 179.939 177.584 -0.202 0.000 1.198 489 A CA 2.508 54.393 52.037 -0.253 0.000 0.629 489 A CB -1.548 17.339 19.000 -0.189 0.000 0.830 489 A HN 0.627 nan 8.150 nan 0.000 0.446 490 S N -1.551 114.078 115.700 -0.117 0.000 2.370 490 S HA -0.222 4.253 4.470 0.007 0.000 0.226 490 S C 2.071 176.638 174.600 -0.054 0.000 1.033 490 S CA 1.600 59.825 58.200 0.042 0.000 1.011 490 S CB -0.938 62.388 63.200 0.210 0.000 0.852 490 S HN 0.728 nan 8.310 nan 0.000 0.457 491 c N 1.055 119.629 118.600 -0.043 0.000 2.429 491 c HA 0.055 4.629 4.570 0.007 0.000 0.277 491 c C 2.400 176.419 174.090 -0.117 0.000 1.262 491 c CA 0.936 57.266 56.329 0.002 0.000 1.733 491 c CB -1.548 41.119 42.510 0.262 0.000 2.010 491 c HN 0.680 nan 8.230 nan 0.000 0.483 492 L N 0.591 121.713 121.223 -0.168 0.000 2.307 492 L HA 0.120 4.465 4.340 0.007 0.000 0.211 492 L C 2.900 179.612 176.870 -0.264 0.000 1.099 492 L CA 1.089 55.806 54.840 -0.204 0.000 0.816 492 L CB -0.838 41.103 42.059 -0.197 0.000 0.952 492 L HN 0.342 nan 8.230 nan 0.000 0.455 493 A N -0.381 122.238 122.820 -0.335 0.000 1.930 493 A HA -0.137 4.187 4.320 0.007 0.000 0.217 493 A C 0.651 177.887 177.584 -0.580 0.000 1.175 493 A CA 0.889 52.644 52.037 -0.470 0.000 0.627 493 A CB -0.738 17.914 19.000 -0.580 0.000 0.815 493 A HN 0.461 nan 8.150 nan 0.000 0.443 494 H N 0.417 119.330 119.070 -0.262 0.000 2.914 494 H HA 0.360 4.921 4.556 0.007 0.000 0.264 494 H C -0.314 174.923 175.328 -0.152 0.000 1.433 494 H CA -0.441 55.469 56.048 -0.229 0.000 1.342 494 H CB 0.022 29.555 29.762 -0.382 0.000 1.582 494 H HN 0.299 nan 8.280 nan 0.000 0.525 495 R N 2.389 122.862 120.500 -0.046 0.000 2.446 495 R HA 0.042 4.386 4.340 0.007 0.000 0.314 495 R C -0.394 176.031 176.300 0.208 0.000 1.003 495 R CA 0.375 56.480 56.100 0.009 0.000 1.018 495 R CB 0.177 30.331 30.300 -0.245 0.000 0.945 495 R HN 0.564 nan 8.270 nan 0.000 0.419 496 D N 3.727 124.196 120.400 0.115 0.000 2.936 496 D HA 0.176 4.821 4.640 0.007 0.000 0.238 496 D C -2.060 173.935 176.300 -0.507 0.000 1.248 496 D CA -2.251 51.607 54.000 -0.236 0.000 0.903 496 D CB 2.358 43.157 40.800 -0.001 0.000 1.544 496 D HN 0.122 nan 8.370 nan 0.000 0.543 497 P HA -0.087 nan 4.420 nan 0.000 0.222 497 P C 1.089 178.372 177.300 -0.029 0.000 1.147 497 P CA 0.850 63.432 63.100 -0.863 0.000 0.790 497 P CB 0.165 31.390 31.700 -0.790 0.000 0.780 498 Y N -0.479 119.814 120.300 -0.012 0.000 2.242 498 Y HA -0.111 4.443 4.550 0.007 0.000 0.291 498 Y C 1.513 177.622 175.900 0.348 0.000 1.137 498 Y CA 0.427 58.624 58.100 0.163 0.000 1.181 498 Y CB -0.764 37.782 38.460 0.142 0.000 0.989 498 Y HN -0.065 nan 8.280 nan 0.000 0.527 499 c N 0.553 119.430 118.600 0.461 0.000 2.401 499 c HA 0.785 5.359 4.570 0.007 0.000 0.365 499 c C 0.898 175.156 174.090 0.280 0.000 1.250 499 c CA -0.559 56.026 56.329 0.426 0.000 2.131 499 c CB 0.193 42.870 42.510 0.278 0.000 2.445 499 c HN 0.521 nan 8.230 nan 0.000 0.550 500 G N 1.062 109.963 108.800 0.168 0.000 2.677 500 G HA2 0.489 4.453 3.960 0.007 0.000 0.291 500 G HA3 0.489 4.453 3.960 0.007 0.000 0.291 500 G C -1.755 173.039 174.900 -0.177 0.000 1.435 500 G CA -0.388 44.377 45.100 -0.558 0.000 0.826 500 G HN 0.838 nan 8.290 nan 0.000 0.491 501 W N 1.767 122.850 121.300 -0.362 0.000 2.387 501 W HA 0.428 5.092 4.660 0.007 0.000 0.310 501 W C -0.450 176.094 176.519 0.043 0.000 1.181 501 W CA -0.915 56.380 57.345 -0.083 0.000 1.333 501 W CB 1.203 30.619 29.460 -0.073 0.000 1.286 501 W HN 0.470 nan 8.180 nan 0.000 0.455 502 c N 8.026 126.376 118.600 -0.416 0.000 2.289 502 c HA 0.143 4.718 4.570 0.007 0.000 0.340 502 c C 1.553 175.343 174.090 -0.500 0.000 1.152 502 c CA -0.472 55.739 56.329 -0.196 0.000 1.650 502 c CB -0.859 41.617 42.510 -0.057 0.000 2.203 502 c HN 0.653 nan 8.230 nan 0.000 0.511 503 V N 6.293 126.091 119.914 -0.194 0.000 2.219 503 V HA -0.235 3.889 4.120 0.007 0.000 0.248 503 V C 2.388 178.470 176.094 -0.020 0.000 1.053 503 V CA 1.766 64.063 62.300 -0.005 0.000 1.009 503 V CB -0.847 31.058 31.823 0.136 0.000 0.636 503 V HN 0.838 nan 8.190 nan 0.000 0.445 504 L N -0.779 120.436 121.223 -0.013 0.000 2.187 504 L HA -0.117 4.228 4.340 0.007 0.000 0.213 504 L C 2.105 178.952 176.870 -0.039 0.000 1.100 504 L CA 1.924 56.759 54.840 -0.008 0.000 0.765 504 L CB -0.403 41.657 42.059 0.000 0.000 0.904 504 L HN 0.377 nan 8.230 nan 0.000 0.437 505 L N -1.045 120.118 121.223 -0.099 0.000 2.554 505 L HA 0.149 4.493 4.340 0.007 0.000 0.225 505 L C 1.223 177.996 176.870 -0.160 0.000 1.104 505 L CA 0.507 55.277 54.840 -0.116 0.000 0.866 505 L CB -0.172 41.813 42.059 -0.124 0.000 1.047 505 L HN 0.417 nan 8.230 nan 0.000 0.468 506 G N 1.683 110.340 108.800 -0.239 0.000 2.366 506 G HA2 -0.305 3.660 3.960 0.007 0.000 0.299 506 G HA3 -0.305 3.660 3.960 0.007 0.000 0.299 506 G C 0.106 174.762 174.900 -0.407 0.000 1.020 506 G CA 0.396 45.384 45.100 -0.186 0.000 1.026 506 G HN 0.380 nan 8.290 nan 0.000 0.512 507 R N -1.200 118.711 120.500 -0.980 0.000 2.668 507 R HA 0.456 4.800 4.340 0.007 0.000 0.272 507 R C -0.580 175.266 176.300 -0.757 0.000 1.019 507 R CA -0.536 55.188 56.100 -0.626 0.000 0.894 507 R CB 1.462 31.607 30.300 -0.259 0.000 1.228 507 R HN 0.431 nan 8.270 nan 0.000 0.460 508 c N 3.323 121.866 118.600 -0.095 0.000 2.373 508 c HA 0.625 5.199 4.570 0.007 0.000 0.354 508 c C 0.354 174.557 174.090 0.189 0.000 1.249 508 c CA 0.113 56.575 56.329 0.222 0.000 1.784 508 c CB -1.022 41.782 42.510 0.490 0.000 2.408 508 c HN 0.749 nan 8.230 nan 0.000 0.542 509 S N 5.978 121.843 115.700 0.275 0.000 2.840 509 S HA 0.671 5.146 4.470 0.007 0.000 0.307 509 S C -0.891 173.991 174.600 0.469 0.000 1.180 509 S CA -0.899 57.472 58.200 0.285 0.000 0.846 509 S CB 0.942 64.226 63.200 0.140 0.000 1.233 509 S HN 0.832 nan 8.310 nan 0.000 0.548 510 R N 0.099 120.738 120.500 0.232 0.000 2.457 510 R HA 0.452 4.796 4.340 0.007 0.000 0.284 510 R C 1.530 177.580 176.300 -0.417 0.000 1.024 510 R CA -0.670 55.494 56.100 0.107 0.000 1.025 510 R CB 0.615 30.963 30.300 0.080 0.000 1.063 510 R HN 0.744 nan 8.270 nan 0.000 0.493 511 R N 0.894 120.695 120.500 -1.165 0.000 2.103 511 R HA -0.201 4.144 4.340 0.007 0.000 0.242 511 R C 1.553 177.424 176.300 -0.715 0.000 1.142 511 R CA 2.447 57.581 56.100 -1.610 0.000 0.960 511 R CB -0.129 29.232 30.300 -1.565 0.000 0.858 511 R HN 0.714 nan 8.270 nan 0.000 0.439 512 S N 0.531 115.968 115.700 -0.438 0.000 2.387 512 S HA -0.191 4.284 4.470 0.007 0.000 0.230 512 S C 1.550 176.033 174.600 -0.195 0.000 1.035 512 S CA 1.705 59.753 58.200 -0.253 0.000 1.014 512 S CB -0.269 62.831 63.200 -0.168 0.000 0.836 512 S HN 0.482 nan 8.310 nan 0.000 0.466 513 E N -0.234 119.855 120.200 -0.186 0.000 2.427 513 E HA 0.080 4.434 4.350 0.007 0.000 0.196 513 E C 0.299 176.826 176.600 -0.122 0.000 1.028 513 E CA 0.092 56.423 56.400 -0.116 0.000 0.864 513 E CB 0.008 29.670 29.700 -0.064 0.000 0.813 513 E HN 0.387 nan 8.360 nan 0.000 0.514 514 c N 2.149 120.636 118.600 -0.188 0.000 2.400 514 c HA 0.353 4.927 4.570 0.007 0.000 0.457 514 c C 0.130 174.157 174.090 -0.105 0.000 1.020 514 c CA -0.162 56.086 56.329 -0.136 0.000 1.258 514 c CB -2.587 39.816 42.510 -0.179 0.000 1.532 514 c HN 0.341 nan 8.230 nan 0.000 0.537 521 E N 0.458 120.652 120.200 -0.009 0.000 2.446 521 E HA 0.275 4.630 4.350 0.007 0.000 0.251 521 E C -0.178 176.472 176.600 0.082 0.000 1.087 521 E CA -0.755 55.662 56.400 0.028 0.000 0.937 521 E CB 0.761 30.473 29.700 0.021 0.000 1.254 521 E HN 0.453 nan 8.360 nan 0.000 0.479 522 Q N 0.609 120.469 119.800 0.100 0.000 2.281 522 Q HA 0.105 4.449 4.340 0.007 0.000 0.267 522 Q C -1.377 174.761 176.000 0.231 0.000 1.053 522 Q CA -0.016 55.875 55.803 0.145 0.000 0.905 522 Q CB 0.323 29.128 28.738 0.112 0.000 1.195 522 Q HN 0.401 nan 8.270 nan 0.000 0.398 523 W N 6.756 128.082 121.300 0.044 0.000 2.463 523 W HA 0.346 5.010 4.660 0.007 0.000 0.316 523 W C -1.640 174.959 176.519 0.134 0.000 1.004 523 W CA -0.729 56.653 57.345 0.061 0.000 1.309 523 W CB 0.687 30.163 29.460 0.026 0.000 1.288 523 W HN 0.539 nan 8.180 nan 0.000 0.423 524 L N 7.006 128.155 121.223 -0.123 0.000 2.401 524 L HA 0.110 4.455 4.340 0.007 0.000 0.283 524 L C 0.244 176.862 176.870 -0.420 0.000 1.151 524 L CA -0.423 54.333 54.840 -0.140 0.000 0.942 524 L CB -0.263 41.814 42.059 0.030 0.000 1.283 524 L HN 0.378 nan 8.230 nan 0.000 0.442 525 W N 3.270 124.150 121.300 -0.701 0.000 2.308 525 W HA 0.029 4.693 4.660 0.007 0.000 0.324 525 W C 1.692 177.988 176.519 -0.372 0.000 1.387 525 W CA -0.136 56.729 57.345 -0.799 0.000 1.250 525 W CB 0.890 30.071 29.460 -0.464 0.000 1.257 525 W HN 0.708 nan 8.180 nan 0.000 0.554 526 S N 4.027 119.451 115.700 -0.460 0.000 2.419 526 S HA -0.260 4.214 4.470 0.007 0.000 0.233 526 S C 1.695 175.997 174.600 -0.497 0.000 1.016 526 S CA 1.094 59.066 58.200 -0.380 0.000 0.974 526 S CB -0.846 62.228 63.200 -0.210 0.000 0.786 526 S HN 0.591 nan 8.310 nan 0.000 0.492 527 F N 1.163 120.268 119.950 -1.408 0.000 2.710 527 F HA 0.265 4.796 4.527 0.007 0.000 0.298 527 F C 1.974 177.192 175.800 -0.970 0.000 1.137 527 F CA 0.180 57.338 58.000 -1.403 0.000 1.444 527 F CB 0.277 37.936 39.000 -2.235 0.000 1.111 527 F HN 0.311 nan 8.300 nan 0.000 0.580 528 Q N 0.311 119.800 119.800 -0.518 0.000 3.394 528 Q HA 0.164 4.509 4.340 0.007 0.000 0.285 528 Q C -2.362 173.583 176.000 -0.091 0.000 0.866 528 Q CA -1.648 54.072 55.803 -0.140 0.000 0.844 528 Q CB 0.935 29.791 28.738 0.197 0.000 1.472 528 Q HN 0.050 nan 8.270 nan 0.000 0.401 529 P HA -0.033 nan 4.420 nan 0.000 0.209 529 P C -0.726 176.533 177.300 -0.069 0.000 1.203 529 P CA 0.669 63.697 63.100 -0.120 0.000 0.916 529 P CB 0.249 31.853 31.700 -0.161 0.000 0.763 530 E N -0.868 119.286 120.200 -0.077 0.000 2.222 530 E HA -0.140 4.214 4.350 0.007 0.000 0.189 530 E C -0.277 176.300 176.600 -0.039 0.000 1.415 530 E CA 0.504 56.873 56.400 -0.052 0.000 0.689 530 E CB -2.214 27.469 29.700 -0.029 0.000 1.107 530 E HN 0.072 nan 8.360 nan 0.000 0.350 531 L N -2.837 118.354 121.223 -0.054 0.000 1.485 531 L HA -0.136 4.208 4.340 0.007 0.000 0.352 531 L C 1.209 178.057 176.870 -0.037 0.000 1.031 531 L CA 1.728 56.540 54.840 -0.047 0.000 1.221 531 L CB -1.044 40.996 42.059 -0.032 0.000 0.496 531 L HN 0.473 nan 8.230 nan 0.000 0.226 532 G N -1.218 107.566 108.800 -0.027 0.000 4.250 532 G HA2 0.511 4.475 3.960 0.007 0.000 0.295 532 G HA3 0.511 4.475 3.960 0.007 0.000 0.295 532 G C -0.043 174.831 174.900 -0.044 0.000 1.081 532 G CA 0.326 45.409 45.100 -0.028 0.000 0.854 532 G HN 1.009 nan 8.290 nan 0.000 0.524 533 c N 0.000 118.551 118.600 -0.082 0.000 2.653 533 c HA 0.000 4.574 4.570 0.007 0.000 0.325 533 c CA 0.000 56.255 56.329 -0.123 0.000 1.963 533 c CB 0.000 42.384 42.510 -0.210 0.000 2.134 533 c HN 0.000 nan 8.230 nan 0.000 0.568