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 1ovt_1_A DATA FIRST_RESID 5 DATA SEQUENCE SVIRWcTISS PEEKKcNNLR DLTQQERISL TcVQKATYLD cIKAIANNEA DATA SEQUENCE DAISLDGGQA FEAGLAPYKL KPIAAEVYEH TEGSTTSYYA VAVVKKGTEF DATA SEQUENCE TVNDLQGKTS cHTGLGRSAG WNIPIGTLLH RGAIEWEGIE SGSVEQAVAK DATA SEQUENCE FFSAScVPGA TIEQKLcRQc KGDPKTKcAR NAPYSGYSGA FHcLKDGKGD DATA SEQUENCE VAFVKHTTVN ENAPDQKDEY ELLcLDGSRQ PVDNYKTcNW ARVAAHAVVA DATA SEQUENCE RDDNKVEDIW SFLSKAQSDF GVDTKSDFHL FGPPGKKDPV LKDLLFKDSA DATA SEQUENCE IMLKRVPSLM DSQLYLGFEY YSAIQSMRKD QLTPSPRENR IQWcAVGKDE DATA SEQUENCE KSKcDRWSVV SNGDVEcTVV DETKDcIIKI MKGEADAVAL DGGLVYTAGV DATA SEQUENCE cGLVPVMAER YDDESQcSKT DERPASYFAV AVARKDSNVN WNNLKGKKSc DATA SEQUENCE HTAVGRTAGW VIPMGLIHNR TGTcNFDEYF SEGcAPGSPP NSRLcQLcQG DATA SEQUENCE SGGIPPEKcV ASSHEKYFGY TGALRcLVEK GDVAFIQHST VEENTGGKNK DATA SEQUENCE ADWAKNLQMD DFELLcTDGR RANVMDYREc NLAEVPTHAV VVRPEKANKI DATA SEQUENCE RDLLERQEKR FGVNGSEKSK FMMFESQNKD LLFKDLTKcL FKVREGTTYK DATA SEQUENCE EFLGDKFYTV ISSLKTcNPS DILQMcSFLE GK 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.622 174.600 0.036 0.000 1.055 5 S CA 0.000 58.224 58.200 0.041 0.000 1.107 5 S CB 0.000 63.221 63.200 0.035 0.000 0.593 6 V N 1.934 121.857 119.914 0.015 0.000 2.610 6 V HA 0.532 4.653 4.120 0.001 0.000 0.288 6 V C -1.918 174.156 176.094 -0.033 0.000 1.055 6 V CA -0.415 61.881 62.300 -0.006 0.000 0.902 6 V CB 0.899 32.722 31.823 0.000 0.000 1.030 6 V HN 0.654 nan 8.190 nan 0.000 0.448 7 I N 6.935 127.455 120.570 -0.082 0.000 2.452 7 I HA 0.368 4.538 4.170 0.001 0.000 0.287 7 I C 0.928 177.000 176.117 -0.075 0.000 1.079 7 I CA 0.555 61.799 61.300 -0.093 0.000 1.387 7 I CB 0.947 38.837 38.000 -0.183 0.000 1.404 7 I HN 0.507 nan 8.210 nan 0.000 0.522 8 R N 6.468 126.942 120.500 -0.043 0.000 2.565 8 R HA 0.136 4.476 4.340 0.001 0.000 0.286 8 R C -0.632 175.660 176.300 -0.013 0.000 1.256 8 R CA -0.409 55.677 56.100 -0.023 0.000 1.238 8 R CB 0.441 30.718 30.300 -0.038 0.000 1.153 8 R HN 0.584 nan 8.270 nan 0.000 0.553 9 W N 3.747 124.982 121.300 -0.108 0.000 2.216 9 W HA 0.111 4.771 4.660 0.001 0.000 0.326 9 W C -0.244 176.242 176.519 -0.057 0.000 1.319 9 W CA -0.641 56.657 57.345 -0.079 0.000 1.213 9 W CB 1.159 30.571 29.460 -0.080 0.000 1.171 9 W HN 0.397 nan 8.180 nan 0.000 0.557 10 c N 6.051 124.545 118.600 -0.178 0.000 2.350 10 c HA 0.632 5.203 4.570 0.001 0.000 0.348 10 c C 0.648 174.791 174.090 0.088 0.000 1.260 10 c CA 0.072 56.366 56.329 -0.058 0.000 1.966 10 c CB 0.123 42.538 42.510 -0.158 0.000 2.380 10 c HN 0.665 nan 8.230 nan 0.000 0.535 11 T N 3.047 117.662 114.554 0.102 0.000 2.907 11 T HA 0.618 4.969 4.350 0.001 0.000 0.290 11 T C 0.198 174.939 174.700 0.069 0.000 1.066 11 T CA -0.606 61.568 62.100 0.123 0.000 1.012 11 T CB 1.378 70.319 68.868 0.122 0.000 1.184 11 T HN 0.829 nan 8.240 nan 0.000 0.522 12 I N -1.475 119.136 120.570 0.068 0.000 4.390 12 I HA 0.404 4.575 4.170 0.001 0.000 0.334 12 I C -0.106 176.037 176.117 0.043 0.000 1.379 12 I CA -0.678 60.653 61.300 0.053 0.000 1.197 12 I CB 0.270 38.315 38.000 0.074 0.000 1.396 12 I HN 0.694 nan 8.210 nan 0.000 0.511 13 S N -0.600 115.124 115.700 0.040 0.000 2.556 13 S HA 0.459 4.930 4.470 0.001 0.000 0.271 13 S C 0.344 174.959 174.600 0.026 0.000 1.135 13 S CA -0.210 58.007 58.200 0.029 0.000 0.858 13 S CB 2.026 65.243 63.200 0.028 0.000 1.114 13 S HN 0.063 nan 8.310 nan 0.000 0.468 14 S N 1.899 117.610 115.700 0.018 0.000 2.382 14 S HA 0.019 4.490 4.470 0.001 0.000 0.228 14 S C -0.891 173.719 174.600 0.018 0.000 1.027 14 S CA 1.361 59.571 58.200 0.016 0.000 0.991 14 S CB -1.267 61.938 63.200 0.010 0.000 0.823 14 S HN 0.784 nan 8.310 nan 0.000 0.469 15 P HA -0.125 nan 4.420 nan 0.000 0.219 15 P C 1.248 178.562 177.300 0.025 0.000 1.146 15 P CA 1.147 64.258 63.100 0.018 0.000 0.808 15 P CB 0.087 31.794 31.700 0.013 0.000 0.779 16 E N 0.192 120.409 120.200 0.029 0.000 2.033 16 E HA -0.194 4.157 4.350 0.001 0.000 0.189 16 E C 2.154 178.778 176.600 0.040 0.000 0.979 16 E CA 0.689 57.110 56.400 0.035 0.000 0.802 16 E CB -0.225 29.502 29.700 0.045 0.000 0.763 16 E HN -0.039 nan 8.360 nan 0.000 0.449 17 E N 1.419 121.644 120.200 0.042 0.000 2.114 17 E HA -0.262 4.089 4.350 0.001 0.000 0.199 17 E C 1.939 178.558 176.600 0.032 0.000 1.008 17 E CA 1.642 58.066 56.400 0.040 0.000 0.810 17 E CB -0.145 29.574 29.700 0.033 0.000 0.739 17 E HN 0.055 nan 8.360 nan 0.000 0.456 18 K N 0.366 120.783 120.400 0.029 0.000 2.057 18 K HA -0.176 4.145 4.320 0.001 0.000 0.207 18 K C 2.182 178.807 176.600 0.042 0.000 1.049 18 K CA 1.579 57.882 56.287 0.027 0.000 0.931 18 K CB -0.193 32.321 32.500 0.024 0.000 0.714 18 K HN 0.169 nan 8.250 nan 0.000 0.440 19 K N 0.337 120.771 120.400 0.058 0.000 2.148 19 K HA -0.127 4.194 4.320 0.001 0.000 0.204 19 K C 2.265 178.930 176.600 0.109 0.000 1.050 19 K CA 1.137 57.492 56.287 0.113 0.000 0.942 19 K CB -0.250 32.305 32.500 0.091 0.000 0.724 19 K HN 0.166 nan 8.250 nan 0.000 0.446 20 c N 1.480 120.108 118.600 0.046 0.000 2.413 20 c HA -0.094 4.477 4.570 0.001 0.000 0.276 20 c C 2.099 176.178 174.090 -0.019 0.000 1.236 20 c CA 1.626 57.961 56.329 0.009 0.000 1.735 20 c CB -1.347 41.180 42.510 0.027 0.000 2.031 20 c HN 0.621 nan 8.230 nan 0.000 0.474 21 N N 0.553 119.246 118.700 -0.011 0.000 2.223 21 N HA -0.117 4.624 4.740 0.001 0.000 0.185 21 N C 1.485 176.943 175.510 -0.087 0.000 1.016 21 N CA 1.495 54.524 53.050 -0.035 0.000 0.863 21 N CB -0.326 38.152 38.487 -0.015 0.000 0.983 21 N HN 0.659 nan 8.380 nan 0.000 0.429 22 N N 0.430 119.072 118.700 -0.097 0.000 2.223 22 N HA -0.129 4.612 4.740 0.001 0.000 0.185 22 N C 1.435 176.643 175.510 -0.503 0.000 1.016 22 N CA 0.593 53.514 53.050 -0.214 0.000 0.863 22 N CB -0.019 38.405 38.487 -0.105 0.000 0.983 22 N HN 0.150 nan 8.380 nan 0.000 0.429 23 L N 1.909 122.808 121.223 -0.540 0.000 2.240 23 L HA -0.015 4.326 4.340 0.001 0.000 0.211 23 L C 2.350 179.065 176.870 -0.257 0.000 1.106 23 L CA 1.170 55.621 54.840 -0.649 0.000 0.793 23 L CB -0.499 41.318 42.059 -0.403 0.000 0.927 23 L HN 0.011 nan 8.230 nan 0.000 0.446 24 R N -0.397 120.029 120.500 -0.124 0.000 2.091 24 R HA -0.185 4.156 4.340 0.001 0.000 0.238 24 R C 1.526 177.790 176.300 -0.059 0.000 1.136 24 R CA 2.110 58.189 56.100 -0.035 0.000 0.959 24 R CB -0.409 29.874 30.300 -0.028 0.000 0.856 24 R HN 0.350 nan 8.270 nan 0.000 0.437 25 D N 0.122 120.451 120.400 -0.119 0.000 2.224 25 D HA -0.079 4.562 4.640 0.001 0.000 0.205 25 D C 1.491 177.721 176.300 -0.117 0.000 0.965 25 D CA 0.703 54.641 54.000 -0.103 0.000 0.852 25 D CB 0.061 40.796 40.800 -0.109 0.000 0.947 25 D HN 0.224 nan 8.370 nan 0.000 0.494 26 L N 0.386 121.489 121.223 -0.201 0.000 2.509 26 L HA 0.057 4.398 4.340 0.001 0.000 0.222 26 L C 2.062 178.907 176.870 -0.043 0.000 1.123 26 L CA 1.029 55.774 54.840 -0.158 0.000 0.856 26 L CB -0.542 41.294 42.059 -0.372 0.000 0.985 26 L HN 0.091 nan 8.230 nan 0.000 0.456 27 T N -6.280 108.244 114.554 -0.050 0.000 3.010 27 T HA 0.001 4.352 4.350 0.001 0.000 0.257 27 T C 1.617 176.342 174.700 0.042 0.000 1.020 27 T CA 0.016 62.120 62.100 0.008 0.000 0.938 27 T CB 0.151 69.053 68.868 0.056 0.000 1.049 27 T HN 0.010 nan 8.240 nan 0.000 0.522 28 Q N 1.772 121.583 119.800 0.018 0.000 2.268 28 Q HA -0.088 4.253 4.340 0.001 0.000 0.210 28 Q C 0.443 176.455 176.000 0.021 0.000 0.988 28 Q CA 1.511 57.326 55.803 0.021 0.000 0.883 28 Q CB -0.371 28.366 28.738 -0.002 0.000 0.911 28 Q HN 0.698 nan 8.270 nan 0.000 0.430 29 Q N 0.303 120.110 119.800 0.012 0.000 2.788 29 Q HA 0.328 4.668 4.340 0.001 0.000 0.261 29 Q C -0.978 175.026 176.000 0.008 0.000 1.029 29 Q CA -0.299 55.510 55.803 0.009 0.000 0.848 29 Q CB 1.296 30.034 28.738 0.000 0.000 1.185 29 Q HN 0.018 nan 8.270 nan 0.000 0.482 30 E N 0.133 120.346 120.200 0.022 0.000 2.433 30 E HA 0.348 4.699 4.350 0.001 0.000 0.264 30 E C 0.052 176.672 176.600 0.034 0.000 0.960 30 E CA -0.656 55.754 56.400 0.016 0.000 0.866 30 E CB 1.326 31.031 29.700 0.008 0.000 1.615 30 E HN 0.270 nan 8.360 nan 0.000 0.442 31 R N -0.027 120.494 120.500 0.035 0.000 2.057 31 R HA 0.132 4.472 4.340 0.001 0.000 0.224 31 R C 0.452 176.804 176.300 0.086 0.000 1.136 31 R CA 0.787 56.916 56.100 0.048 0.000 0.968 31 R CB 0.018 30.339 30.300 0.035 0.000 0.863 31 R HN 0.254 nan 8.270 nan 0.000 0.433 32 I N 0.830 121.479 120.570 0.131 0.000 2.353 32 I HA 0.238 4.409 4.170 0.001 0.000 0.293 32 I C 0.080 176.398 176.117 0.336 0.000 0.992 32 I CA 0.078 61.508 61.300 0.217 0.000 1.268 32 I CB 1.953 40.123 38.000 0.283 0.000 1.387 32 I HN 0.000 nan 8.210 nan 0.000 0.478 33 S N 4.393 120.232 115.700 0.231 0.000 2.786 33 S HA 0.856 5.326 4.470 0.001 0.000 0.302 33 S C -1.215 173.377 174.600 -0.013 0.000 1.080 33 S CA -0.550 57.782 58.200 0.220 0.000 0.925 33 S CB 1.609 64.879 63.200 0.116 0.000 1.325 33 S HN 0.461 nan 8.310 nan 0.000 0.576 34 L N 0.792 121.999 121.223 -0.027 0.000 2.505 34 L HA 0.653 4.993 4.340 0.001 0.000 0.259 34 L C -1.222 175.621 176.870 -0.045 0.000 0.952 34 L CA 0.163 54.918 54.840 -0.142 0.000 0.840 34 L CB 2.087 44.023 42.059 -0.204 0.000 1.358 34 L HN 0.723 nan 8.230 nan 0.000 0.409 35 T N 1.113 115.647 114.554 -0.034 0.000 2.916 35 T HA 0.562 4.913 4.350 0.001 0.000 0.292 35 T C -1.338 173.379 174.700 0.029 0.000 1.064 35 T CA -0.479 61.619 62.100 -0.002 0.000 1.011 35 T CB 1.598 70.464 68.868 -0.003 0.000 1.152 35 T HN 0.608 nan 8.240 nan 0.000 0.510 36 c N 2.507 121.128 118.600 0.035 0.000 2.653 36 c HA 0.494 5.065 4.570 0.001 0.000 0.291 36 c C 0.198 174.316 174.090 0.046 0.000 1.064 36 c CA -0.914 55.454 56.329 0.065 0.000 1.469 36 c CB -0.585 41.956 42.510 0.052 0.000 1.861 36 c HN 0.739 nan 8.230 nan 0.000 0.434 37 V N 4.059 123.997 119.914 0.041 0.000 2.470 37 V HA 0.192 4.313 4.120 0.001 0.000 0.276 37 V C 0.345 176.451 176.094 0.022 0.000 1.040 37 V CA 0.476 62.785 62.300 0.015 0.000 1.008 37 V CB 0.899 32.717 31.823 -0.008 0.000 0.990 37 V HN 0.781 nan 8.190 nan 0.000 0.477 38 Q N 5.505 125.314 119.800 0.015 0.000 2.307 38 Q HA 0.397 4.738 4.340 0.001 0.000 0.262 38 Q C -0.911 175.090 176.000 0.001 0.000 0.961 38 Q CA -0.682 55.131 55.803 0.017 0.000 0.882 38 Q CB 1.612 30.362 28.738 0.020 0.000 1.264 38 Q HN 0.613 nan 8.270 nan 0.000 0.446 39 K N 1.390 121.787 120.400 -0.004 0.000 2.280 39 K HA 0.508 4.828 4.320 0.001 0.000 0.234 39 K C 0.286 176.878 176.600 -0.013 0.000 1.028 39 K CA -0.369 55.907 56.287 -0.018 0.000 0.882 39 K CB 1.354 33.831 32.500 -0.038 0.000 1.194 39 K HN 0.597 nan 8.250 nan 0.000 0.458 40 A N 0.238 123.044 122.820 -0.023 0.000 2.119 40 A HA 0.022 4.343 4.320 0.001 0.000 0.216 40 A C 0.712 178.288 177.584 -0.014 0.000 1.152 40 A CA 1.391 53.417 52.037 -0.017 0.000 0.708 40 A CB 0.115 19.101 19.000 -0.024 0.000 0.805 40 A HN 0.571 nan 8.150 nan 0.000 0.460 41 T N -3.773 110.762 114.554 -0.032 0.000 2.792 41 T HA 0.398 4.749 4.350 0.001 0.000 0.303 41 T C 0.448 175.124 174.700 -0.040 0.000 1.310 41 T CA 0.064 62.145 62.100 -0.032 0.000 1.007 41 T CB 0.824 69.631 68.868 -0.101 0.000 1.335 41 T HN 0.338 nan 8.240 nan 0.000 0.504 42 Y N 0.972 121.246 120.300 -0.043 0.000 2.373 42 Y HA 0.228 4.779 4.550 0.002 0.000 0.293 42 Y C 1.707 177.552 175.900 -0.092 0.000 1.129 42 Y CA 0.833 58.900 58.100 -0.055 0.000 1.226 42 Y CB -0.358 38.079 38.460 -0.038 0.000 1.000 42 Y HN 0.380 nan 8.280 nan 0.000 0.549 43 L N 1.352 122.011 121.223 -0.941 0.000 2.156 43 L HA -0.055 4.285 4.340 0.001 0.000 0.208 43 L C 1.233 177.870 176.870 -0.387 0.000 1.095 43 L CA 1.631 56.043 54.840 -0.714 0.000 0.770 43 L CB -0.884 40.753 42.059 -0.703 0.000 0.914 43 L HN 0.147 nan 8.230 nan 0.000 0.439 44 D N -1.708 118.524 120.400 -0.281 0.000 2.219 44 D HA -0.144 4.497 4.640 0.001 0.000 0.205 44 D C 2.231 178.441 176.300 -0.149 0.000 0.970 44 D CA 1.107 55.004 54.000 -0.170 0.000 0.851 44 D CB -0.181 40.546 40.800 -0.121 0.000 0.943 44 D HN 0.368 nan 8.370 nan 0.000 0.488 45 c N -0.273 118.234 118.600 -0.155 0.000 2.504 45 c HA 0.185 4.756 4.570 0.001 0.000 0.279 45 c C 2.647 176.633 174.090 -0.173 0.000 1.358 45 c CA -0.352 55.898 56.329 -0.132 0.000 1.747 45 c CB -0.608 41.846 42.510 -0.094 0.000 2.037 45 c HN 0.333 nan 8.230 nan 0.000 0.503 46 I N 1.072 121.498 120.570 -0.239 0.000 2.226 46 I HA -0.214 3.956 4.170 0.001 0.000 0.245 46 I C 2.429 178.338 176.117 -0.347 0.000 1.100 46 I CA 1.541 62.646 61.300 -0.326 0.000 1.374 46 I CB -0.337 37.367 38.000 -0.492 0.000 1.057 46 I HN 0.373 nan 8.210 nan 0.000 0.413 47 K N 0.821 121.033 120.400 -0.314 0.000 2.057 47 K HA -0.104 4.216 4.320 0.001 0.000 0.206 47 K C 2.173 178.730 176.600 -0.073 0.000 1.050 47 K CA 1.463 57.664 56.287 -0.144 0.000 0.935 47 K CB -0.258 32.193 32.500 -0.081 0.000 0.715 47 K HN 0.282 nan 8.250 nan 0.000 0.439 48 A N 1.031 123.796 122.820 -0.093 0.000 2.067 48 A HA -0.070 4.251 4.320 0.001 0.000 0.219 48 A C 1.970 179.510 177.584 -0.074 0.000 1.158 48 A CA 1.048 53.043 52.037 -0.070 0.000 0.661 48 A CB -0.427 18.527 19.000 -0.076 0.000 0.801 48 A HN 0.171 nan 8.150 nan 0.000 0.452 49 I N -1.010 119.502 120.570 -0.096 0.000 2.494 49 I HA -0.091 4.080 4.170 0.001 0.000 0.250 49 I C 2.814 178.901 176.117 -0.050 0.000 1.112 49 I CA 0.809 62.054 61.300 -0.091 0.000 1.438 49 I CB -0.266 37.656 38.000 -0.129 0.000 1.111 49 I HN 0.308 nan 8.210 nan 0.000 0.431 50 A N 0.827 123.632 122.820 -0.026 0.000 2.070 50 A HA -0.171 4.150 4.320 0.001 0.000 0.220 50 A C 1.531 179.132 177.584 0.028 0.000 1.159 50 A CA 1.644 53.705 52.037 0.040 0.000 0.656 50 A CB -0.841 18.260 19.000 0.168 0.000 0.800 50 A HN 0.539 nan 8.150 nan 0.000 0.453 51 N N 0.000 118.704 118.700 0.007 0.000 2.273 51 N HA 0.059 4.800 4.740 0.001 0.000 0.231 51 N C -0.178 175.325 175.510 -0.012 0.000 1.134 51 N CA -0.182 52.868 53.050 0.001 0.000 0.856 51 N CB 0.144 38.633 38.487 0.002 0.000 1.068 51 N HN 0.343 nan 8.380 nan 0.000 0.510 52 N N 1.698 120.386 118.700 -0.020 0.000 2.667 52 N HA -0.208 4.533 4.740 0.001 0.000 0.263 52 N C -0.292 175.202 175.510 -0.027 0.000 1.038 52 N CA 0.857 53.892 53.050 -0.025 0.000 0.749 52 N CB -0.530 37.947 38.487 -0.017 0.000 0.892 52 N HN 0.566 nan 8.380 nan 0.000 0.546 53 E N -1.437 118.741 120.200 -0.036 0.000 2.568 53 E HA 0.323 4.674 4.350 0.001 0.000 0.220 53 E C 0.068 176.641 176.600 -0.046 0.000 0.869 53 E CA 0.336 56.714 56.400 -0.036 0.000 1.268 53 E CB 0.791 30.470 29.700 -0.034 0.000 1.252 53 E HN 0.505 nan 8.360 nan 0.000 0.606 54 A N 0.162 122.943 122.820 -0.064 0.000 2.583 54 A HA 0.479 4.799 4.320 0.001 0.000 0.289 54 A C -0.920 176.598 177.584 -0.110 0.000 1.151 54 A CA -0.576 51.408 52.037 -0.088 0.000 0.695 54 A CB 1.319 20.254 19.000 -0.108 0.000 1.290 54 A HN -0.064 nan 8.150 nan 0.000 0.419 55 D N -0.843 119.466 120.400 -0.152 0.000 2.531 55 D HA 0.459 5.100 4.640 0.001 0.000 0.263 55 D C 0.557 176.696 176.300 -0.269 0.000 1.057 55 D CA 1.451 55.354 54.000 -0.162 0.000 0.909 55 D CB 1.119 41.855 40.800 -0.107 0.000 1.236 55 D HN 0.849 nan 8.370 nan 0.000 0.494 56 A N 0.233 122.752 122.820 -0.501 0.000 2.583 56 A HA 0.814 5.135 4.320 0.001 0.000 0.289 56 A C -1.509 175.347 177.584 -1.214 0.000 1.151 56 A CA -0.535 51.017 52.037 -0.809 0.000 0.695 56 A CB 2.135 20.506 19.000 -1.049 0.000 1.290 56 A HN 0.068 nan 8.150 nan 0.000 0.419 57 I N -0.595 119.352 120.570 -1.038 0.000 2.639 57 I HA 0.318 4.489 4.170 0.001 0.000 0.293 57 I C -1.185 174.862 176.117 -0.116 0.000 1.762 57 I CA -0.036 60.919 61.300 -0.574 0.000 0.993 57 I CB 1.734 39.560 38.000 -0.290 0.000 1.518 57 I HN 0.663 nan 8.210 nan 0.000 0.517 58 S N 6.049 121.836 115.700 0.146 0.000 2.457 58 S HA 0.733 5.203 4.470 0.001 0.000 0.289 58 S C -0.945 173.760 174.600 0.176 0.000 1.163 58 S CA -0.419 57.922 58.200 0.236 0.000 1.078 58 S CB 0.695 64.085 63.200 0.317 0.000 0.987 58 S HN 0.369 nan 8.310 nan 0.000 0.482 59 L N 3.987 125.292 121.223 0.136 0.000 2.342 59 L HA 0.518 4.858 4.340 0.001 0.000 0.271 59 L C -0.136 176.673 176.870 -0.103 0.000 1.008 59 L CA -0.604 54.255 54.840 0.032 0.000 0.818 59 L CB 1.861 43.941 42.059 0.034 0.000 1.296 59 L HN 0.690 nan 8.230 nan 0.000 0.427 60 D N 1.098 121.304 120.400 -0.323 0.000 2.414 60 D HA 0.234 4.875 4.640 0.001 0.000 0.242 60 D C 1.405 177.624 176.300 -0.135 0.000 1.129 60 D CA 0.781 54.405 54.000 -0.627 0.000 0.885 60 D CB 1.453 42.038 40.800 -0.357 0.000 1.198 60 D HN 0.686 nan 8.370 nan 0.000 0.437 61 G N 2.733 111.570 108.800 0.062 0.000 2.596 61 G HA2 -0.302 3.659 3.960 0.001 0.000 0.223 61 G HA3 -0.302 3.659 3.960 0.001 0.000 0.223 61 G C 1.333 176.409 174.900 0.294 0.000 1.120 61 G CA 0.890 46.164 45.100 0.291 0.000 0.752 61 G HN 0.639 nan 8.290 nan 0.000 0.596 62 G N -0.461 108.459 108.800 0.199 0.000 2.511 62 G HA2 0.022 3.982 3.960 0.001 0.000 0.217 62 G HA3 0.022 3.982 3.960 0.001 0.000 0.217 62 G C 1.748 176.716 174.900 0.113 0.000 1.133 62 G CA 0.823 45.992 45.100 0.116 0.000 0.792 62 G HN 0.556 nan 8.290 nan 0.000 0.539 63 Q N -0.005 119.820 119.800 0.042 0.000 2.302 63 Q HA 0.301 4.642 4.340 0.001 0.000 0.202 63 Q C 2.801 178.890 176.000 0.148 0.000 0.936 63 Q CA 0.602 56.430 55.803 0.043 0.000 0.886 63 Q CB 0.065 28.646 28.738 -0.261 0.000 0.986 63 Q HN 0.409 nan 8.270 nan 0.000 0.487 64 A N 0.702 123.616 122.820 0.157 0.000 1.969 64 A HA -0.168 4.153 4.320 0.001 0.000 0.218 64 A C 1.802 179.526 177.584 0.233 0.000 1.169 64 A CA 0.838 52.982 52.037 0.178 0.000 0.635 64 A CB -0.634 18.500 19.000 0.224 0.000 0.810 64 A HN 0.471 nan 8.150 nan 0.000 0.445 65 F N 0.947 120.970 119.950 0.122 0.000 2.216 65 F HA -0.120 4.408 4.527 0.002 0.000 0.300 65 F C 1.998 177.856 175.800 0.096 0.000 1.085 65 F CA 2.087 60.147 58.000 0.100 0.000 1.326 65 F CB -0.106 38.869 39.000 -0.042 0.000 1.027 65 F HN 0.352 nan 8.300 nan 0.000 0.497 66 E N 0.011 120.370 120.200 0.266 0.000 2.112 66 E HA -0.037 4.314 4.350 0.001 0.000 0.190 66 E C 2.350 179.037 176.600 0.145 0.000 0.979 66 E CA 0.708 57.228 56.400 0.200 0.000 0.814 66 E CB -0.300 29.562 29.700 0.270 0.000 0.762 66 E HN 0.458 nan 8.360 nan 0.000 0.460 67 A N 0.982 123.865 122.820 0.105 0.000 1.972 67 A HA -0.078 4.242 4.320 0.001 0.000 0.219 67 A C 2.301 179.944 177.584 0.097 0.000 1.169 67 A CA 1.552 53.618 52.037 0.049 0.000 0.635 67 A CB -0.769 18.243 19.000 0.021 0.000 0.810 67 A HN 0.338 nan 8.150 nan 0.000 0.446 68 G N -1.443 107.389 108.800 0.053 0.000 2.813 68 G HA2 0.304 4.264 3.960 0.001 0.000 0.209 68 G HA3 0.304 4.264 3.960 0.001 0.000 0.209 68 G C 0.381 175.275 174.900 -0.010 0.000 1.150 68 G CA -0.047 45.065 45.100 0.020 0.000 0.785 68 G HN 0.323 nan 8.290 nan 0.000 0.535 69 L N 1.541 122.758 121.223 -0.011 0.000 2.349 69 L HA 0.635 4.976 4.340 0.001 0.000 0.275 69 L C 0.795 177.638 176.870 -0.046 0.000 1.115 69 L CA -0.929 53.876 54.840 -0.058 0.000 0.820 69 L CB 1.065 43.070 42.059 -0.090 0.000 1.135 69 L HN 0.106 nan 8.230 nan 0.000 0.445 70 A N 5.616 128.369 122.820 -0.112 0.000 2.445 70 A HA 0.420 4.741 4.320 0.001 0.000 0.242 70 A C -1.432 175.924 177.584 -0.380 0.000 1.075 70 A CA -0.701 51.224 52.037 -0.187 0.000 0.777 70 A CB -0.511 18.412 19.000 -0.127 0.000 1.013 70 A HN 0.804 nan 8.150 nan 0.000 0.493 71 P HA -0.066 nan 4.420 nan 0.000 0.226 71 P C 0.310 177.452 177.300 -0.263 0.000 1.153 71 P CA 1.060 63.909 63.100 -0.418 0.000 0.777 71 P CB -0.019 31.442 31.700 -0.398 0.000 0.794 72 Y N 0.415 120.693 120.300 -0.038 0.000 2.184 72 Y HA 0.003 4.554 4.550 0.001 0.000 0.290 72 Y C 1.371 177.247 175.900 -0.040 0.000 1.129 72 Y CA 0.166 58.242 58.100 -0.039 0.000 1.144 72 Y CB -1.307 37.130 38.460 -0.038 0.000 0.995 72 Y HN -0.187 nan 8.280 nan 0.000 0.513 73 K N -0.346 120.117 120.400 0.106 0.000 2.975 73 K HA -0.208 4.113 4.320 0.001 0.000 0.257 73 K C -0.897 175.722 176.600 0.030 0.000 1.005 73 K CA -0.009 56.301 56.287 0.039 0.000 0.738 73 K CB -1.451 31.050 32.500 0.003 0.000 1.236 73 K HN 0.056 nan 8.250 nan 0.000 0.483 74 L N 0.861 122.112 121.223 0.047 0.000 2.456 74 L HA 0.133 4.474 4.340 0.001 0.000 0.272 74 L C 0.540 177.403 176.870 -0.012 0.000 1.189 74 L CA 0.641 55.485 54.840 0.006 0.000 0.846 74 L CB 0.759 42.815 42.059 -0.006 0.000 1.111 74 L HN -0.003 nan 8.230 nan 0.000 0.475 75 K N 4.520 124.899 120.400 -0.035 0.000 2.123 75 K HA 0.482 4.803 4.320 0.001 0.000 0.259 75 K C -2.470 174.073 176.600 -0.095 0.000 0.960 75 K CA -1.927 54.326 56.287 -0.058 0.000 0.872 75 K CB 1.236 33.700 32.500 -0.060 0.000 1.079 75 K HN 0.218 nan 8.250 nan 0.000 0.440 76 P HA 0.041 nan 4.420 nan 0.000 0.265 76 P C -0.352 176.820 177.300 -0.213 0.000 1.222 76 P CA 0.190 63.123 63.100 -0.278 0.000 0.767 76 P CB 0.531 31.889 31.700 -0.570 0.000 0.801 77 I N 3.403 123.896 120.570 -0.128 0.000 3.039 77 I HA 0.246 4.417 4.170 0.001 0.000 0.270 77 I C 0.817 176.890 176.117 -0.075 0.000 1.150 77 I CA 0.742 61.996 61.300 -0.077 0.000 1.448 77 I CB 0.030 38.042 38.000 0.020 0.000 1.197 77 I HN 0.283 nan 8.210 nan 0.000 0.450 78 A N -0.214 122.634 122.820 0.046 0.000 2.556 78 A HA 0.916 5.237 4.320 0.001 0.000 0.294 78 A C -1.336 176.386 177.584 0.229 0.000 1.091 78 A CA -0.125 52.015 52.037 0.172 0.000 0.704 78 A CB 1.254 20.518 19.000 0.439 0.000 1.300 78 A HN 0.118 nan 8.150 nan 0.000 0.406 79 A N 0.737 123.749 122.820 0.319 0.000 2.422 79 A HA 0.692 5.012 4.320 0.001 0.000 0.302 79 A C -0.551 177.204 177.584 0.285 0.000 1.041 79 A CA -0.457 51.817 52.037 0.395 0.000 0.708 79 A CB 0.794 20.170 19.000 0.626 0.000 1.257 79 A HN 0.804 nan 8.150 nan 0.000 0.414 80 E N 0.441 120.778 120.200 0.228 0.000 2.383 80 E HA 0.391 4.742 4.350 0.001 0.000 0.264 80 E C -0.670 175.686 176.600 -0.408 0.000 1.050 80 E CA -0.033 56.317 56.400 -0.084 0.000 0.896 80 E CB 1.160 30.834 29.700 -0.044 0.000 0.982 80 E HN 0.399 nan 8.360 nan 0.000 0.424 81 V N 3.462 123.023 119.914 -0.588 0.000 2.581 81 V HA 0.318 4.439 4.120 0.001 0.000 0.303 81 V C -1.005 174.629 176.094 -0.765 0.000 1.041 81 V CA -0.629 61.354 62.300 -0.529 0.000 0.907 81 V CB 0.753 32.428 31.823 -0.246 0.000 0.994 81 V HN 0.519 nan 8.190 nan 0.000 0.442 82 Y N 0.788 121.116 120.300 0.047 0.000 2.562 82 Y HA 0.464 5.015 4.550 0.001 0.000 0.343 82 Y C 0.425 176.356 175.900 0.051 0.000 1.025 82 Y CA -1.572 56.548 58.100 0.033 0.000 1.082 82 Y CB 1.204 39.730 38.460 0.109 0.000 1.264 82 Y HN 0.586 nan 8.280 nan 0.000 0.478 83 E N 2.154 122.442 120.200 0.147 0.000 2.081 83 E HA 0.071 4.422 4.350 0.001 0.000 0.270 83 E C -0.802 175.799 176.600 0.002 0.000 1.180 83 E CA 0.165 56.608 56.400 0.072 0.000 0.926 83 E CB -0.080 29.640 29.700 0.034 0.000 1.035 83 E HN 0.380 nan 8.360 nan 0.000 0.418 84 H N 1.091 120.248 119.070 0.145 0.000 2.529 84 H HA 0.096 4.652 4.556 0.000 0.000 0.348 84 H C 1.173 176.565 175.328 0.107 0.000 1.152 84 H CA -0.158 55.980 56.048 0.150 0.000 1.202 84 H CB 2.030 31.863 29.762 0.118 0.000 1.562 84 H HN 0.555 nan 8.280 nan 0.000 0.515 85 T N -0.187 114.515 114.554 0.247 0.000 3.043 85 T HA -0.055 4.295 4.350 0.001 0.000 0.263 85 T C 1.141 175.922 174.700 0.134 0.000 1.094 85 T CA 0.756 62.944 62.100 0.148 0.000 1.127 85 T CB 0.315 69.247 68.868 0.106 0.000 0.905 85 T HN 0.353 nan 8.240 nan 0.000 0.490 86 E N 1.527 121.832 120.200 0.175 0.000 2.016 86 E HA 0.339 4.690 4.350 0.001 0.000 0.190 86 E C 1.684 178.326 176.600 0.070 0.000 0.985 86 E CA 1.465 57.920 56.400 0.091 0.000 0.802 86 E CB -0.529 29.196 29.700 0.041 0.000 0.762 86 E HN 0.665 nan 8.360 nan 0.000 0.448 87 G N -2.063 106.793 108.800 0.092 0.000 3.551 87 G HA2 0.411 4.372 3.960 0.001 0.000 0.174 87 G HA3 0.411 4.372 3.960 0.001 0.000 0.174 87 G C -0.705 174.265 174.900 0.115 0.000 1.280 87 G CA 0.164 45.304 45.100 0.067 0.000 1.236 87 G HN -0.002 nan 8.290 nan 0.000 0.731 88 S N 0.584 116.338 115.700 0.089 0.000 2.705 88 S HA 0.411 4.882 4.470 0.001 0.000 0.163 88 S C -0.337 174.290 174.600 0.046 0.000 0.785 88 S CA -0.055 58.220 58.200 0.126 0.000 0.990 88 S CB -0.044 63.199 63.200 0.072 0.000 1.526 88 S HN 1.107 nan 8.310 nan 0.000 0.434 89 T N -0.508 114.073 114.554 0.044 0.000 2.902 89 T HA 0.488 4.839 4.350 0.001 0.000 0.280 89 T C 1.000 175.698 174.700 -0.003 0.000 0.992 89 T CA -0.266 61.794 62.100 -0.066 0.000 1.015 89 T CB 1.036 69.784 68.868 -0.199 0.000 1.044 89 T HN 0.413 nan 8.240 nan 0.000 0.520 90 T N -0.465 114.033 114.554 -0.093 0.000 3.467 90 T HA 0.442 4.793 4.350 0.001 0.000 0.232 90 T C 0.301 175.071 174.700 0.117 0.000 0.876 90 T CA -0.508 61.584 62.100 -0.013 0.000 0.939 90 T CB -1.473 67.338 68.868 -0.095 0.000 1.165 90 T HN 0.904 nan 8.240 nan 0.000 0.615 91 S N 0.428 116.258 115.700 0.217 0.000 2.607 91 S HA 0.786 5.257 4.470 0.001 0.000 0.273 91 S C -1.162 173.669 174.600 0.386 0.000 1.148 91 S CA -1.203 57.120 58.200 0.205 0.000 0.833 91 S CB 1.374 64.504 63.200 -0.116 0.000 1.130 91 S HN 0.572 nan 8.310 nan 0.000 0.470 92 Y N -1.632 118.679 120.300 0.019 0.000 2.665 92 Y HA 0.834 5.385 4.550 0.002 0.000 0.336 92 Y C -1.734 174.091 175.900 -0.125 0.000 1.085 92 Y CA -1.898 56.169 58.100 -0.055 0.000 1.096 92 Y CB 0.482 38.855 38.460 -0.144 0.000 1.301 92 Y HN 0.671 nan 8.280 nan 0.000 0.493 93 Y N 1.095 121.501 120.300 0.176 0.000 2.331 93 Y HA 0.690 5.240 4.550 0.001 0.000 0.338 93 Y C 0.267 176.287 175.900 0.200 0.000 0.992 93 Y CA -0.973 57.188 58.100 0.102 0.000 1.121 93 Y CB 1.630 40.130 38.460 0.067 0.000 1.184 93 Y HN 0.917 nan 8.280 nan 0.000 0.469 94 A N 3.305 126.300 122.820 0.292 0.000 2.401 94 A HA 0.616 4.937 4.320 0.001 0.000 0.259 94 A C -0.636 177.081 177.584 0.220 0.000 1.103 94 A CA -0.318 51.869 52.037 0.250 0.000 0.789 94 A CB 0.440 19.552 19.000 0.187 0.000 1.035 94 A HN 0.600 nan 8.150 nan 0.000 0.491 95 V N 1.018 120.998 119.914 0.110 0.000 3.007 95 V HA 0.744 4.864 4.120 0.001 0.000 0.311 95 V C -0.305 175.688 176.094 -0.168 0.000 1.120 95 V CA 0.006 62.320 62.300 0.023 0.000 0.980 95 V CB 2.299 34.172 31.823 0.082 0.000 1.033 95 V HN 1.419 nan 8.190 nan 0.000 0.429 96 A N 4.098 126.744 122.820 -0.290 0.000 2.323 96 A HA 0.763 5.084 4.320 0.001 0.000 0.305 96 A C -0.945 176.490 177.584 -0.248 0.000 1.275 96 A CA -0.430 51.338 52.037 -0.449 0.000 0.804 96 A CB 1.079 19.672 19.000 -0.678 0.000 1.152 96 A HN 0.775 nan 8.150 nan 0.000 0.487 97 V N 3.636 123.401 119.914 -0.248 0.000 2.465 97 V HA 0.532 4.653 4.120 0.001 0.000 0.279 97 V C 0.590 176.624 176.094 -0.100 0.000 1.045 97 V CA -0.203 62.027 62.300 -0.117 0.000 0.938 97 V CB 0.682 32.459 31.823 -0.076 0.000 0.986 97 V HN 0.923 nan 8.190 nan 0.000 0.467 98 V N 1.959 121.862 119.914 -0.019 0.000 3.145 98 V HA 0.702 4.823 4.120 0.001 0.000 0.311 98 V C -0.492 175.647 176.094 0.075 0.000 1.238 98 V CA -1.303 60.987 62.300 -0.016 0.000 1.066 98 V CB 2.094 33.810 31.823 -0.179 0.000 1.144 98 V HN 0.682 nan 8.190 nan 0.000 0.465 99 K N 1.002 121.398 120.400 -0.006 0.000 2.143 99 K HA 0.393 4.714 4.320 0.001 0.000 0.272 99 K C -0.499 176.020 176.600 -0.135 0.000 1.001 99 K CA -0.626 55.608 56.287 -0.087 0.000 0.915 99 K CB 1.841 34.271 32.500 -0.117 0.000 1.047 99 K HN 0.744 nan 8.250 nan 0.000 0.458 100 K N 0.300 120.600 120.400 -0.167 0.000 2.448 100 K HA -0.006 4.314 4.320 0.001 0.000 0.278 100 K C 0.816 177.347 176.600 -0.116 0.000 1.009 100 K CA 1.286 57.497 56.287 -0.126 0.000 0.995 100 K CB 0.154 32.581 32.500 -0.121 0.000 0.917 100 K HN 0.803 nan 8.250 nan 0.000 0.481 101 G N 2.150 110.893 108.800 -0.096 0.000 2.225 101 G HA2 -0.299 3.662 3.960 0.001 0.000 0.254 101 G HA3 -0.299 3.662 3.960 0.001 0.000 0.254 101 G C 0.119 174.978 174.900 -0.067 0.000 0.988 101 G CA 0.453 45.509 45.100 -0.074 0.000 0.625 101 G HN 0.838 nan 8.290 nan 0.000 0.527 102 T N -0.406 114.093 114.554 -0.091 0.000 2.884 102 T HA 0.562 4.913 4.350 0.001 0.000 0.298 102 T C 1.036 175.684 174.700 -0.086 0.000 0.998 102 T CA 0.398 62.470 62.100 -0.046 0.000 1.124 102 T CB 1.607 70.466 68.868 -0.015 0.000 0.931 102 T HN 0.221 nan 8.240 nan 0.000 0.531 103 E N 1.388 121.600 120.200 0.021 0.000 2.478 103 E HA 0.085 4.436 4.350 0.001 0.000 0.194 103 E C 0.561 177.173 176.600 0.019 0.000 1.045 103 E CA -0.086 56.316 56.400 0.003 0.000 0.868 103 E CB -0.250 29.478 29.700 0.046 0.000 0.885 103 E HN 0.857 nan 8.360 nan 0.000 0.505 104 F N 2.379 122.347 119.950 0.030 0.000 2.450 104 F HA 0.295 4.822 4.527 0.000 0.000 0.339 104 F C 0.886 176.728 175.800 0.069 0.000 1.146 104 F CA -0.805 57.224 58.000 0.048 0.000 1.267 104 F CB 0.261 39.293 39.000 0.053 0.000 1.178 104 F HN -0.268 nan 8.300 nan 0.000 0.585 105 T N -0.060 114.668 114.554 0.290 0.000 2.910 105 T HA 0.296 4.647 4.350 0.001 0.000 0.279 105 T C 0.799 175.706 174.700 0.346 0.000 0.989 105 T CA -0.213 62.020 62.100 0.220 0.000 0.968 105 T CB 1.367 70.324 68.868 0.148 0.000 1.135 105 T HN 0.869 nan 8.240 nan 0.000 0.562 106 V N 1.285 121.376 119.914 0.296 0.000 2.720 106 V HA -0.109 4.011 4.120 0.001 0.000 0.256 106 V C 1.837 178.113 176.094 0.304 0.000 1.082 106 V CA 1.876 64.395 62.300 0.365 0.000 1.101 106 V CB -1.206 30.774 31.823 0.262 0.000 0.693 106 V HN 0.785 nan 8.190 nan 0.000 0.479 107 N N 0.276 119.107 118.700 0.219 0.000 2.457 107 N HA -0.040 4.701 4.740 0.001 0.000 0.180 107 N C 1.003 176.623 175.510 0.183 0.000 1.050 107 N CA 1.153 54.309 53.050 0.177 0.000 0.906 107 N CB -0.109 38.449 38.487 0.119 0.000 0.968 107 N HN 0.597 nan 8.380 nan 0.000 0.445 108 D N 0.295 120.822 120.400 0.212 0.000 2.340 108 D HA 0.127 4.768 4.640 0.001 0.000 0.217 108 D C 1.513 177.842 176.300 0.048 0.000 1.081 108 D CA -0.088 53.997 54.000 0.141 0.000 0.842 108 D CB 0.546 41.460 40.800 0.190 0.000 0.934 108 D HN 0.218 nan 8.370 nan 0.000 0.511 109 L N 0.401 121.716 121.223 0.154 0.000 2.549 109 L HA -0.059 4.282 4.340 0.001 0.000 0.229 109 L C 1.410 178.141 176.870 -0.231 0.000 1.158 109 L CA 0.649 55.567 54.840 0.131 0.000 0.842 109 L CB -0.160 42.239 42.059 0.566 0.000 0.952 109 L HN -0.064 nan 8.230 nan 0.000 0.452 110 Q N 0.004 119.532 119.800 -0.454 0.000 2.304 110 Q HA 0.250 4.591 4.340 0.001 0.000 0.260 110 Q C 0.993 176.733 176.000 -0.434 0.000 0.965 110 Q CA 0.786 56.033 55.803 -0.926 0.000 0.898 110 Q CB 0.880 29.283 28.738 -0.558 0.000 1.196 110 Q HN 0.339 nan 8.270 nan 0.000 0.402 111 G N 3.435 112.003 108.800 -0.387 0.000 2.234 111 G HA2 -0.195 3.766 3.960 0.001 0.000 0.235 111 G HA3 -0.195 3.766 3.960 0.001 0.000 0.235 111 G C 0.102 174.948 174.900 -0.090 0.000 0.997 111 G CA -0.097 44.903 45.100 -0.167 0.000 0.623 111 G HN 0.529 nan 8.290 nan 0.000 0.514 112 K N 1.117 121.462 120.400 -0.093 0.000 2.136 112 K HA 0.508 4.829 4.320 0.001 0.000 0.237 112 K C 0.765 177.321 176.600 -0.075 0.000 1.048 112 K CA 0.676 56.879 56.287 -0.139 0.000 0.880 112 K CB 0.044 32.357 32.500 -0.310 0.000 1.105 112 K HN 0.634 nan 8.250 nan 0.000 0.507 113 T N -2.246 112.213 114.554 -0.159 0.000 2.824 113 T HA 0.479 4.830 4.350 0.001 0.000 0.280 113 T C -0.066 174.443 174.700 -0.317 0.000 0.995 113 T CA -0.777 61.228 62.100 -0.157 0.000 1.009 113 T CB 1.081 69.899 68.868 -0.083 0.000 0.955 113 T HN 0.502 nan 8.240 nan 0.000 0.452 114 S N 1.236 116.705 115.700 -0.385 0.000 2.599 114 S HA 0.750 5.221 4.470 0.001 0.000 0.294 114 S C -0.763 173.710 174.600 -0.213 0.000 1.094 114 S CA -0.920 57.000 58.200 -0.468 0.000 0.931 114 S CB 1.003 63.710 63.200 -0.822 0.000 1.093 114 S HN 0.973 nan 8.310 nan 0.000 0.488 115 c N 2.685 121.109 118.600 -0.294 0.000 2.364 115 c HA 0.641 5.212 4.570 0.001 0.000 0.324 115 c C -0.279 173.702 174.090 -0.182 0.000 1.234 115 c CA -0.563 55.667 56.329 -0.165 0.000 1.417 115 c CB -0.236 42.127 42.510 -0.245 0.000 2.101 115 c HN 0.901 nan 8.230 nan 0.000 0.466 116 H N 0.973 120.113 119.070 0.116 0.000 2.616 116 H HA 0.310 4.867 4.556 0.001 0.000 0.353 116 H C 0.970 176.350 175.328 0.087 0.000 1.170 116 H CA 0.015 56.175 56.048 0.186 0.000 1.212 116 H CB 2.048 31.966 29.762 0.260 0.000 1.653 116 H HN 0.699 nan 8.280 nan 0.000 0.537 117 T N -0.450 114.206 114.554 0.170 0.000 2.851 117 T HA 0.182 4.533 4.350 0.001 0.000 0.262 117 T C 0.975 175.682 174.700 0.013 0.000 1.043 117 T CA 0.583 62.694 62.100 0.019 0.000 1.140 117 T CB 0.220 68.996 68.868 -0.153 0.000 0.872 117 T HN 0.737 nan 8.240 nan 0.000 0.446 118 G N 0.498 109.320 108.800 0.035 0.000 2.556 118 G HA2 0.467 4.428 3.960 0.001 0.000 0.294 118 G HA3 0.467 4.428 3.960 0.001 0.000 0.294 118 G C -1.800 173.029 174.900 -0.118 0.000 1.516 118 G CA -0.989 44.083 45.100 -0.047 0.000 0.824 118 G HN 0.465 nan 8.290 nan 0.000 0.535 119 L N 1.686 122.736 121.223 -0.289 0.000 2.477 119 L HA 0.494 4.835 4.340 0.001 0.000 0.272 119 L C 1.458 178.080 176.870 -0.414 0.000 1.157 119 L CA 2.229 56.683 54.840 -0.643 0.000 0.889 119 L CB 0.649 42.321 42.059 -0.645 0.000 1.158 119 L HN 2.118 nan 8.230 nan 0.000 0.473 120 G N 3.174 111.735 108.800 -0.399 0.000 2.176 120 G HA2 -0.265 3.696 3.960 0.001 0.000 0.253 120 G HA3 -0.265 3.696 3.960 0.001 0.000 0.253 120 G C 0.643 175.571 174.900 0.046 0.000 0.979 120 G CA 0.298 45.373 45.100 -0.041 0.000 0.641 120 G HN 0.656 nan 8.290 nan 0.000 0.530 121 R N 0.294 120.832 120.500 0.062 0.000 2.577 121 R HA 0.586 4.927 4.340 0.001 0.000 0.269 121 R C 1.678 178.083 176.300 0.175 0.000 1.084 121 R CA 0.129 56.271 56.100 0.069 0.000 1.163 121 R CB 0.570 30.877 30.300 0.011 0.000 1.100 121 R HN 0.201 nan 8.270 nan 0.000 0.547 122 S N 0.953 116.770 115.700 0.195 0.000 2.336 122 S HA -0.165 4.306 4.470 0.001 0.000 0.214 122 S C 1.931 176.628 174.600 0.163 0.000 1.032 122 S CA 1.204 59.526 58.200 0.203 0.000 1.001 122 S CB -0.352 62.912 63.200 0.106 0.000 0.953 122 S HN 0.754 nan 8.310 nan 0.000 0.430 123 A N 1.502 124.455 122.820 0.223 0.000 1.930 123 A HA 0.153 4.473 4.320 0.001 0.000 0.217 123 A C 2.290 179.997 177.584 0.204 0.000 1.175 123 A CA 1.628 53.806 52.037 0.236 0.000 0.627 123 A CB -1.356 17.894 19.000 0.416 0.000 0.815 123 A HN 0.532 nan 8.150 nan 0.000 0.443 124 G N -2.651 106.267 108.800 0.196 0.000 2.421 124 G HA2 -0.086 3.874 3.960 0.001 0.000 0.217 124 G HA3 -0.086 3.874 3.960 0.001 0.000 0.217 124 G C 1.340 176.467 174.900 0.379 0.000 1.143 124 G CA 0.975 46.223 45.100 0.248 0.000 0.784 124 G HN 0.642 nan 8.290 nan 0.000 0.541 125 W N -0.373 120.961 121.300 0.056 0.000 4.705 125 W HA 0.061 4.724 4.660 0.004 0.000 0.194 125 W C 1.698 178.196 176.519 -0.035 0.000 0.966 125 W CA 0.161 57.507 57.345 0.002 0.000 2.145 125 W CB -0.162 29.271 29.460 -0.046 0.000 0.852 125 W HN 0.053 nan 8.180 nan 0.000 0.946 126 N N 1.745 120.522 118.700 0.128 0.000 2.036 126 N HA -0.212 4.529 4.740 0.001 0.000 0.195 126 N C 1.556 177.060 175.510 -0.010 0.000 1.037 126 N CA 2.385 55.445 53.050 0.017 0.000 0.855 126 N CB -0.861 37.726 38.487 0.167 0.000 1.033 126 N HN 0.099 nan 8.380 nan 0.000 0.423 127 I N 1.552 122.163 120.570 0.068 0.000 2.133 127 I HA -0.144 4.027 4.170 0.001 0.000 0.238 127 I C -0.644 175.514 176.117 0.069 0.000 1.074 127 I CA 1.369 62.718 61.300 0.082 0.000 1.342 127 I CB -2.435 35.624 38.000 0.098 0.000 1.053 127 I HN 0.097 nan 8.210 nan 0.000 0.404 128 P HA -0.129 nan 4.420 nan 0.000 0.215 128 P C 1.958 179.146 177.300 -0.187 0.000 1.157 128 P CA 1.529 64.541 63.100 -0.146 0.000 0.863 128 P CB -0.006 31.100 31.700 -0.990 0.000 0.787 129 I N -0.117 120.192 120.570 -0.436 0.000 2.353 129 I HA -0.048 4.123 4.170 0.001 0.000 0.248 129 I C 2.663 178.551 176.117 -0.382 0.000 1.119 129 I CA 1.447 62.411 61.300 -0.560 0.000 1.417 129 I CB -2.248 35.078 38.000 -1.123 0.000 1.078 129 I HN -0.003 nan 8.210 nan 0.000 0.421 130 G N 0.441 109.077 108.800 -0.274 0.000 2.402 130 G HA2 -0.205 3.756 3.960 0.001 0.000 0.216 130 G HA3 -0.205 3.756 3.960 0.001 0.000 0.216 130 G C 1.670 176.547 174.900 -0.038 0.000 1.162 130 G CA 1.265 46.286 45.100 -0.132 0.000 0.777 130 G HN 0.320 nan 8.290 nan 0.000 0.539 131 T N 1.113 115.652 114.554 -0.025 0.000 2.821 131 T HA -0.046 4.305 4.350 0.001 0.000 0.267 131 T C 2.213 176.879 174.700 -0.056 0.000 1.046 131 T CA 0.654 62.741 62.100 -0.021 0.000 1.139 131 T CB -0.112 68.756 68.868 0.000 0.000 0.871 131 T HN 0.038 nan 8.240 nan 0.000 0.454 132 L N 0.393 121.563 121.223 -0.088 0.000 2.156 132 L HA 0.168 4.509 4.340 0.001 0.000 0.208 132 L C 2.053 178.797 176.870 -0.210 0.000 1.095 132 L CA 1.059 55.794 54.840 -0.176 0.000 0.770 132 L CB -1.027 40.860 42.059 -0.287 0.000 0.914 132 L HN 0.185 nan 8.230 nan 0.000 0.439 133 L N -1.192 119.925 121.223 -0.176 0.000 2.017 133 L HA -0.236 4.105 4.340 0.001 0.000 0.208 133 L C 2.622 179.420 176.870 -0.120 0.000 1.073 133 L CA 1.686 56.447 54.840 -0.131 0.000 0.745 133 L CB -0.817 41.195 42.059 -0.078 0.000 0.894 133 L HN 0.359 nan 8.230 nan 0.000 0.432 134 H N -0.827 118.191 119.070 -0.088 0.000 2.462 134 H HA 0.018 4.574 4.556 -0.000 0.000 0.292 134 H C 2.147 177.430 175.328 -0.073 0.000 1.049 134 H CA 0.996 57.005 56.048 -0.066 0.000 1.334 134 H CB 0.380 30.104 29.762 -0.063 0.000 1.404 134 H HN 0.308 nan 8.280 nan 0.000 0.544 135 R N -0.639 119.854 120.500 -0.012 0.000 2.200 135 R HA 0.019 4.359 4.340 0.001 0.000 0.208 135 R C 1.296 177.564 176.300 -0.053 0.000 1.033 135 R CA 0.648 56.726 56.100 -0.038 0.000 1.000 135 R CB 0.590 30.853 30.300 -0.062 0.000 0.906 135 R HN 0.365 nan 8.270 nan 0.000 0.462 136 G N -0.686 108.063 108.800 -0.085 0.000 2.148 136 G HA2 -0.255 3.706 3.960 0.001 0.000 0.203 136 G HA3 -0.255 3.706 3.960 0.001 0.000 0.203 136 G C 0.673 175.525 174.900 -0.081 0.000 0.993 136 G CA 0.124 45.176 45.100 -0.079 0.000 0.661 136 G HN 0.412 nan 8.290 nan 0.000 0.518 137 A N -0.382 122.356 122.820 -0.137 0.000 1.887 137 A HA 0.616 4.937 4.320 0.001 0.000 0.212 137 A C 1.173 178.547 177.584 -0.350 0.000 1.198 137 A CA 0.962 52.908 52.037 -0.152 0.000 0.628 137 A CB 0.056 18.963 19.000 -0.155 0.000 0.847 137 A HN 0.676 nan 8.150 nan 0.000 0.449 138 I N 1.017 121.259 120.570 -0.547 0.000 2.352 138 I HA 0.129 4.300 4.170 0.001 0.000 0.290 138 I C -0.010 175.998 176.117 -0.180 0.000 1.036 138 I CA -0.012 60.999 61.300 -0.482 0.000 1.336 138 I CB 1.205 38.854 38.000 -0.585 0.000 1.407 138 I HN 0.331 nan 8.210 nan 0.000 0.497 139 E N 6.443 126.604 120.200 -0.065 0.000 1.993 139 E HA 0.165 4.516 4.350 0.001 0.000 0.271 139 E C -1.572 175.100 176.600 0.119 0.000 1.008 139 E CA -0.494 55.912 56.400 0.010 0.000 0.814 139 E CB 0.700 30.406 29.700 0.009 0.000 1.098 139 E HN 0.448 nan 8.360 nan 0.000 0.407 140 W N 3.543 124.774 121.300 -0.115 0.000 2.883 140 W HA 0.275 4.935 4.660 -0.000 0.000 0.335 140 W C 0.123 176.586 176.519 -0.094 0.000 1.083 140 W CA -0.481 56.808 57.345 -0.093 0.000 1.233 140 W CB 1.543 30.943 29.460 -0.101 0.000 1.412 140 W HN 0.405 nan 8.180 nan 0.000 0.490 141 E N 2.676 122.596 120.200 -0.466 0.000 2.399 141 E HA 0.391 4.742 4.350 0.001 0.000 0.205 141 E C 0.677 176.855 176.600 -0.703 0.000 0.906 141 E CA 0.641 56.781 56.400 -0.433 0.000 0.998 141 E CB 1.182 30.696 29.700 -0.309 0.000 1.002 141 E HN 0.558 nan 8.360 nan 0.000 0.501 142 G N 0.944 108.917 108.800 -1.378 0.000 2.321 142 G HA2 0.116 4.077 3.960 0.001 0.000 0.298 142 G HA3 0.116 4.077 3.960 0.001 0.000 0.298 142 G C 0.403 174.611 174.900 -1.153 0.000 1.385 142 G CA -0.351 43.966 45.100 -1.305 0.000 0.856 142 G HN 0.048 nan 8.290 nan 0.000 0.584 143 I N -1.810 118.510 120.570 -0.416 0.000 2.623 143 I HA -0.025 4.146 4.170 0.001 0.000 0.261 143 I C 1.620 177.702 176.117 -0.059 0.000 1.204 143 I CA 1.986 63.289 61.300 0.006 0.000 1.444 143 I CB -0.097 37.976 38.000 0.122 0.000 1.094 143 I HN 0.503 nan 8.210 nan 0.000 0.451 144 E N 1.367 121.468 120.200 -0.165 0.000 2.482 144 E HA -0.047 4.304 4.350 0.001 0.000 0.196 144 E C 1.516 178.042 176.600 -0.123 0.000 1.047 144 E CA 1.026 57.358 56.400 -0.114 0.000 0.869 144 E CB -0.029 29.601 29.700 -0.116 0.000 0.836 144 E HN 0.784 nan 8.360 nan 0.000 0.520 145 S N -0.233 115.341 115.700 -0.211 0.000 2.574 145 S HA 0.451 4.922 4.470 0.001 0.000 0.242 145 S C 0.650 175.253 174.600 0.005 0.000 0.982 145 S CA -0.064 58.047 58.200 -0.149 0.000 0.977 145 S CB 0.785 63.826 63.200 -0.265 0.000 0.814 145 S HN 0.283 nan 8.310 nan 0.000 0.464 146 G N 1.473 110.329 108.800 0.094 0.000 2.525 146 G HA2 0.063 4.024 3.960 0.001 0.000 0.685 146 G HA3 0.063 4.024 3.960 0.001 0.000 0.685 146 G C -0.366 174.770 174.900 0.393 0.000 1.290 146 G CA -0.592 44.633 45.100 0.208 0.000 0.915 146 G HN 1.119 nan 8.290 nan 0.000 0.548 147 S N -1.238 114.625 115.700 0.272 0.000 2.634 147 S HA 0.540 5.011 4.470 0.001 0.000 0.261 147 S C 1.533 176.182 174.600 0.081 0.000 1.271 147 S CA 0.096 58.427 58.200 0.217 0.000 0.985 147 S CB 1.595 64.859 63.200 0.106 0.000 0.968 147 S HN 1.537 nan 8.310 nan 0.000 0.568 148 V N 1.076 120.880 119.914 -0.184 0.000 2.548 148 V HA -0.091 4.029 4.120 0.001 0.000 0.249 148 V C 2.600 178.662 176.094 -0.053 0.000 1.055 148 V CA 1.616 63.649 62.300 -0.445 0.000 1.065 148 V CB -1.215 30.319 31.823 -0.482 0.000 0.681 148 V HN 0.861 nan 8.190 nan 0.000 0.462 149 E N 0.174 120.422 120.200 0.080 0.000 2.097 149 E HA -0.327 4.024 4.350 0.001 0.000 0.196 149 E C 2.269 178.929 176.600 0.100 0.000 1.000 149 E CA 1.727 58.201 56.400 0.123 0.000 0.804 149 E CB -0.139 29.582 29.700 0.036 0.000 0.740 149 E HN 0.673 nan 8.360 nan 0.000 0.454 150 Q N 0.475 120.323 119.800 0.080 0.000 2.119 150 Q HA -0.125 4.215 4.340 0.001 0.000 0.201 150 Q C 2.103 178.156 176.000 0.088 0.000 0.972 150 Q CA 1.202 57.058 55.803 0.088 0.000 0.847 150 Q CB -0.058 28.738 28.738 0.097 0.000 0.903 150 Q HN 0.204 nan 8.270 nan 0.000 0.433 151 A N 0.095 122.957 122.820 0.069 0.000 1.972 151 A HA -0.098 4.223 4.320 0.001 0.000 0.219 151 A C 2.100 179.685 177.584 0.001 0.000 1.169 151 A CA 1.445 53.508 52.037 0.044 0.000 0.635 151 A CB -0.369 18.622 19.000 -0.015 0.000 0.810 151 A HN 0.298 nan 8.150 nan 0.000 0.446 152 V N -0.651 119.268 119.914 0.008 0.000 2.535 152 V HA -0.073 4.047 4.120 0.001 0.000 0.246 152 V C 2.933 179.128 176.094 0.169 0.000 1.045 152 V CA 1.429 63.757 62.300 0.046 0.000 1.058 152 V CB -0.936 30.962 31.823 0.124 0.000 0.689 152 V HN 0.560 nan 8.190 nan 0.000 0.461 153 A N 0.008 122.926 122.820 0.162 0.000 2.019 153 A HA -0.192 4.129 4.320 0.001 0.000 0.219 153 A C 2.182 179.848 177.584 0.136 0.000 1.164 153 A CA 1.584 53.718 52.037 0.161 0.000 0.644 153 A CB -0.362 18.710 19.000 0.122 0.000 0.805 153 A HN 0.551 nan 8.150 nan 0.000 0.449 154 K N -2.042 118.428 120.400 0.116 0.000 2.432 154 K HA 0.081 4.402 4.320 0.001 0.000 0.196 154 K C 1.358 178.033 176.600 0.125 0.000 1.038 154 K CA 0.680 57.029 56.287 0.103 0.000 0.986 154 K CB -0.083 32.472 32.500 0.091 0.000 0.782 154 K HN 0.522 nan 8.250 nan 0.000 0.485 155 F N 0.574 120.477 119.950 -0.078 0.000 2.222 155 F HA 0.169 4.696 4.527 -0.000 0.000 0.285 155 F C 0.334 176.057 175.800 -0.128 0.000 1.068 155 F CA 0.086 57.965 58.000 -0.203 0.000 1.265 155 F CB 0.239 38.964 39.000 -0.458 0.000 1.087 155 F HN -0.272 nan 8.300 nan 0.000 0.511 156 F N 1.014 121.032 119.950 0.113 0.000 2.375 156 F HA 0.213 4.740 4.527 0.000 0.000 0.333 156 F C 1.859 177.668 175.800 0.015 0.000 1.104 156 F CA -0.603 57.407 58.000 0.017 0.000 1.149 156 F CB 0.835 39.938 39.000 0.172 0.000 1.190 156 F HN 0.015 nan 8.300 nan 0.000 0.533 157 S N 1.435 117.246 115.700 0.184 0.000 2.387 157 S HA 0.376 4.847 4.470 0.001 0.000 0.226 157 S C 0.538 175.198 174.600 0.100 0.000 1.026 157 S CA 0.569 58.826 58.200 0.094 0.000 0.972 157 S CB -0.158 63.064 63.200 0.037 0.000 0.814 157 S HN 0.845 nan 8.310 nan 0.000 0.477 158 A N -0.169 122.718 122.820 0.111 0.000 2.582 158 A HA 0.702 5.023 4.320 0.001 0.000 0.297 158 A C -0.591 177.053 177.584 0.101 0.000 1.059 158 A CA -0.634 51.465 52.037 0.104 0.000 0.705 158 A CB 1.214 20.253 19.000 0.064 0.000 1.279 158 A HN 0.248 nan 8.150 nan 0.000 0.404 159 S N -0.679 115.102 115.700 0.135 0.000 2.709 159 S HA 0.751 5.222 4.470 0.001 0.000 0.302 159 S C -0.986 173.701 174.600 0.145 0.000 1.127 159 S CA -0.471 57.824 58.200 0.159 0.000 0.905 159 S CB 1.717 65.097 63.200 0.300 0.000 1.151 159 S HN 1.639 nan 8.310 nan 0.000 0.510 160 c N 2.212 120.918 118.600 0.176 0.000 2.344 160 c HA 0.763 5.334 4.570 0.001 0.000 0.326 160 c C -1.092 173.112 174.090 0.190 0.000 1.201 160 c CA -0.213 56.209 56.329 0.154 0.000 1.410 160 c CB -1.007 41.600 42.510 0.162 0.000 2.070 160 c HN 0.586 nan 8.230 nan 0.000 0.445 161 V N 9.110 129.085 119.914 0.101 0.000 2.320 161 V HA 0.339 4.459 4.120 0.001 0.000 0.268 161 V C -2.011 174.058 176.094 -0.042 0.000 1.021 161 V CA -0.987 61.322 62.300 0.014 0.000 0.813 161 V CB 1.353 33.075 31.823 -0.168 0.000 1.054 161 V HN 0.798 nan 8.190 nan 0.000 0.444 162 P HA 0.198 nan 4.420 nan 0.000 0.262 162 P C 0.832 178.097 177.300 -0.057 0.000 1.455 162 P CA 0.902 63.998 63.100 -0.007 0.000 1.217 162 P CB 0.527 32.246 31.700 0.032 0.000 1.625 163 G N 2.225 110.971 108.800 -0.090 0.000 4.142 163 G HA2 0.096 4.057 3.960 0.001 0.000 0.200 163 G HA3 0.096 4.057 3.960 0.001 0.000 0.200 163 G C 0.198 175.017 174.900 -0.134 0.000 0.811 163 G CA 0.198 45.232 45.100 -0.110 0.000 0.855 163 G HN 0.632 nan 8.290 nan 0.000 0.455 164 A N 1.768 124.492 122.820 -0.160 0.000 2.526 164 A HA 0.487 4.807 4.320 0.001 0.000 0.267 164 A C 1.613 179.149 177.584 -0.079 0.000 1.095 164 A CA 1.514 53.463 52.037 -0.146 0.000 0.775 164 A CB -0.016 18.905 19.000 -0.132 0.000 1.036 164 A HN 0.889 nan 8.150 nan 0.000 0.510 165 T N 1.414 115.923 114.554 -0.074 0.000 3.010 165 T HA 0.061 4.412 4.350 0.001 0.000 0.252 165 T C 1.639 176.323 174.700 -0.027 0.000 1.047 165 T CA 1.140 63.215 62.100 -0.043 0.000 1.140 165 T CB -0.330 68.515 68.868 -0.037 0.000 0.885 165 T HN 0.469 nan 8.240 nan 0.000 0.464 166 I N 0.328 120.882 120.570 -0.027 0.000 2.404 166 I HA 0.116 4.287 4.170 0.001 0.000 0.231 166 I C 1.129 177.248 176.117 0.004 0.000 1.064 166 I CA 0.423 61.719 61.300 -0.005 0.000 1.383 166 I CB -0.097 37.905 38.000 0.003 0.000 1.171 166 I HN 0.092 nan 8.210 nan 0.000 0.422 167 E N 1.839 122.044 120.200 0.009 0.000 2.316 167 E HA 0.013 4.364 4.350 0.001 0.000 0.275 167 E C 0.511 177.123 176.600 0.020 0.000 1.029 167 E CA 0.081 56.496 56.400 0.025 0.000 0.871 167 E CB 1.503 31.230 29.700 0.046 0.000 1.022 167 E HN 0.244 nan 8.360 nan 0.000 0.418 168 Q N 2.215 122.030 119.800 0.025 0.000 2.297 168 Q HA -0.050 4.290 4.340 0.001 0.000 0.204 168 Q C 1.543 177.565 176.000 0.037 0.000 0.962 168 Q CA 0.940 56.758 55.803 0.024 0.000 0.879 168 Q CB 0.065 28.817 28.738 0.023 0.000 0.947 168 Q HN 0.345 nan 8.270 nan 0.000 0.462 169 K N 0.175 120.606 120.400 0.051 0.000 2.280 169 K HA -0.042 4.279 4.320 0.001 0.000 0.202 169 K C 1.235 177.885 176.600 0.084 0.000 1.047 169 K CA 0.703 57.032 56.287 0.070 0.000 0.942 169 K CB -0.000 32.551 32.500 0.085 0.000 0.739 169 K HN 0.252 nan 8.250 nan 0.000 0.457 170 L N -0.260 121.005 121.223 0.071 0.000 2.599 170 L HA -0.076 4.264 4.340 0.001 0.000 0.230 170 L C 1.319 178.223 176.870 0.056 0.000 1.141 170 L CA 0.219 55.102 54.840 0.072 0.000 0.877 170 L CB 0.096 42.171 42.059 0.025 0.000 1.009 170 L HN 0.228 nan 8.230 nan 0.000 0.447 171 c N -1.630 116.999 118.600 0.048 0.000 3.183 171 c HA 0.136 4.707 4.570 0.001 0.000 0.285 171 c C 2.512 176.637 174.090 0.058 0.000 1.313 171 c CA -0.529 55.828 56.329 0.046 0.000 1.711 171 c CB -0.233 42.291 42.510 0.025 0.000 2.135 171 c HN 0.435 nan 8.230 nan 0.000 0.651 172 R N 1.257 121.795 120.500 0.063 0.000 2.066 172 R HA -0.082 4.259 4.340 0.001 0.000 0.232 172 R C 1.936 178.277 176.300 0.069 0.000 1.131 172 R CA 1.398 57.532 56.100 0.058 0.000 0.955 172 R CB -0.026 30.308 30.300 0.056 0.000 0.851 172 R HN 0.383 nan 8.270 nan 0.000 0.432 173 Q N -0.388 119.463 119.800 0.085 0.000 2.482 173 Q HA 0.027 4.368 4.340 0.001 0.000 0.209 173 Q C 0.141 176.258 176.000 0.195 0.000 0.961 173 Q CA 0.196 56.064 55.803 0.109 0.000 0.945 173 Q CB -0.286 28.498 28.738 0.077 0.000 1.012 173 Q HN 0.305 nan 8.270 nan 0.000 0.515 174 c N 1.834 120.537 118.600 0.172 0.000 2.652 174 c HA 0.253 4.824 4.570 0.001 0.000 0.412 174 c C 0.979 175.100 174.090 0.051 0.000 1.294 174 c CA -0.650 55.809 56.329 0.217 0.000 2.127 174 c CB 0.081 42.662 42.510 0.119 0.000 2.691 174 c HN 0.272 nan 8.230 nan 0.000 0.615 175 K N 1.057 121.307 120.400 -0.251 0.000 2.123 175 K HA 0.659 4.980 4.320 0.001 0.000 0.259 175 K C 0.277 176.713 176.600 -0.273 0.000 0.960 175 K CA 0.409 56.463 56.287 -0.388 0.000 0.872 175 K CB 1.079 33.067 32.500 -0.854 0.000 1.079 175 K HN 1.072 nan 8.250 nan 0.000 0.440 176 G N 2.102 110.802 108.800 -0.166 0.000 2.315 176 G HA2 -0.117 3.844 3.960 0.001 0.000 0.296 176 G HA3 -0.117 3.844 3.960 0.001 0.000 0.296 176 G C -1.627 173.235 174.900 -0.065 0.000 1.289 176 G CA -0.765 44.268 45.100 -0.110 0.000 0.996 176 G HN 0.725 nan 8.290 nan 0.000 0.487 177 D N 0.071 120.444 120.400 -0.046 0.000 2.344 177 D HA 0.553 5.194 4.640 0.001 0.000 0.244 177 D C -0.791 175.496 176.300 -0.023 0.000 1.134 177 D CA -1.160 52.822 54.000 -0.030 0.000 0.930 177 D CB 1.362 42.148 40.800 -0.024 0.000 1.175 177 D HN 0.067 nan 8.370 nan 0.000 0.437 178 P HA -0.251 nan 4.420 nan 0.000 0.221 178 P C -0.067 177.227 177.300 -0.010 0.000 1.153 178 P CA 1.989 65.082 63.100 -0.010 0.000 0.858 178 P CB 0.178 31.874 31.700 -0.008 0.000 0.783 179 K N -1.826 118.567 120.400 -0.011 0.000 2.218 179 K HA 0.040 4.360 4.320 0.001 0.000 0.222 179 K C 2.015 178.607 176.600 -0.012 0.000 1.030 179 K CA 1.410 57.691 56.287 -0.010 0.000 0.946 179 K CB -1.943 30.551 32.500 -0.010 0.000 1.000 179 K HN 0.001 nan 8.250 nan 0.000 0.461 180 T N 1.204 115.749 114.554 -0.015 0.000 2.837 180 T HA -0.319 4.032 4.350 0.001 0.000 0.266 180 T C 1.684 176.373 174.700 -0.019 0.000 1.077 180 T CA 2.008 64.098 62.100 -0.016 0.000 1.133 180 T CB -0.691 68.166 68.868 -0.019 0.000 0.830 180 T HN 0.459 nan 8.240 nan 0.000 0.512 181 K N -0.145 120.241 120.400 -0.022 0.000 2.280 181 K HA 0.043 4.363 4.320 0.001 0.000 0.202 181 K C 2.078 178.674 176.600 -0.007 0.000 1.047 181 K CA 1.182 57.453 56.287 -0.027 0.000 0.942 181 K CB -0.709 31.772 32.500 -0.032 0.000 0.739 181 K HN 0.428 nan 8.250 nan 0.000 0.457 182 c N 1.556 120.155 118.600 -0.001 0.000 2.589 182 c HA 0.578 5.149 4.570 0.001 0.000 0.307 182 c C 0.672 174.761 174.090 -0.002 0.000 1.328 182 c CA -0.787 55.546 56.329 0.006 0.000 1.742 182 c CB -1.764 40.747 42.510 0.002 0.000 2.037 182 c HN 0.554 nan 8.230 nan 0.000 0.592 183 A N 0.270 123.089 122.820 -0.001 0.000 2.271 183 A HA 0.544 4.865 4.320 0.001 0.000 0.288 183 A C 1.120 178.710 177.584 0.009 0.000 1.094 183 A CA -0.450 51.588 52.037 0.001 0.000 0.828 183 A CB 0.392 19.392 19.000 0.001 0.000 1.091 183 A HN 0.604 nan 8.150 nan 0.000 0.493 184 R N 0.201 120.711 120.500 0.017 0.000 2.328 184 R HA -0.082 4.258 4.340 0.001 0.000 0.207 184 R C 0.547 176.862 176.300 0.026 0.000 1.056 184 R CA 1.482 57.597 56.100 0.025 0.000 1.016 184 R CB -0.191 30.143 30.300 0.057 0.000 0.872 184 R HN 0.889 nan 8.270 nan 0.000 0.471 185 N N -0.533 118.181 118.700 0.023 0.000 2.170 185 N HA 0.148 4.889 4.740 0.001 0.000 0.222 185 N C -0.033 175.484 175.510 0.011 0.000 1.218 185 N CA -0.318 52.744 53.050 0.020 0.000 0.889 185 N CB 0.635 39.136 38.487 0.023 0.000 1.083 185 N HN -0.076 nan 8.380 nan 0.000 0.520 186 A N 2.706 125.530 122.820 0.008 0.000 2.536 186 A HA 0.109 4.430 4.320 0.001 0.000 0.234 186 A C -0.766 176.814 177.584 -0.006 0.000 1.076 186 A CA -0.737 51.296 52.037 -0.007 0.000 0.769 186 A CB 0.084 19.083 19.000 -0.002 0.000 1.020 186 A HN 0.121 nan 8.150 nan 0.000 0.508 187 P HA -0.188 nan 4.420 nan 0.000 0.217 187 P C 0.433 177.775 177.300 0.070 0.000 1.151 187 P CA 1.620 64.685 63.100 -0.058 0.000 0.849 187 P CB -0.099 31.501 31.700 -0.167 0.000 0.787 188 Y N 0.452 120.748 120.300 -0.006 0.000 2.496 188 Y HA 0.143 4.695 4.550 0.002 0.000 0.313 188 Y C 1.631 177.533 175.900 0.003 0.000 1.184 188 Y CA -1.130 56.971 58.100 0.003 0.000 1.275 188 Y CB -1.203 37.267 38.460 0.016 0.000 1.103 188 Y HN 0.012 nan 8.280 nan 0.000 0.513 189 S N -1.024 114.757 115.700 0.136 0.000 2.693 189 S HA 0.739 5.210 4.470 0.001 0.000 0.276 189 S C 0.698 175.319 174.600 0.035 0.000 1.192 189 S CA 0.033 58.273 58.200 0.066 0.000 0.994 189 S CB 1.685 64.908 63.200 0.038 0.000 1.012 189 S HN 0.676 nan 8.310 nan 0.000 0.550 190 G N 0.549 109.337 108.800 -0.020 0.000 2.855 190 G HA2 -0.247 3.713 3.960 0.001 0.000 0.352 190 G HA3 -0.247 3.713 3.960 0.001 0.000 0.352 190 G C -0.038 174.833 174.900 -0.047 0.000 1.415 190 G CA 0.301 45.362 45.100 -0.065 0.000 0.871 190 G HN 0.938 nan 8.290 nan 0.000 0.543 191 Y N 0.182 120.485 120.300 0.003 0.000 2.274 191 Y HA 0.014 4.564 4.550 0.000 0.000 0.290 191 Y C 3.245 179.141 175.900 -0.007 0.000 1.145 191 Y CA 1.994 60.083 58.100 -0.018 0.000 1.203 191 Y CB -0.153 38.252 38.460 -0.090 0.000 0.984 191 Y HN 0.393 nan 8.280 nan 0.000 0.533 192 S N -0.734 115.052 115.700 0.143 0.000 2.458 192 S HA 0.014 4.484 4.470 0.001 0.000 0.223 192 S C 2.307 176.958 174.600 0.085 0.000 1.019 192 S CA 0.655 58.914 58.200 0.099 0.000 0.937 192 S CB -0.400 62.799 63.200 -0.001 0.000 0.788 192 S HN 0.609 nan 8.310 nan 0.000 0.511 193 G N 1.678 110.505 108.800 0.045 0.000 2.404 193 G HA2 -0.032 3.929 3.960 0.001 0.000 0.215 193 G HA3 -0.032 3.929 3.960 0.001 0.000 0.215 193 G C 1.535 176.475 174.900 0.066 0.000 1.174 193 G CA 0.784 45.943 45.100 0.099 0.000 0.780 193 G HN 0.535 nan 8.290 nan 0.000 0.537 194 A N 0.165 123.004 122.820 0.031 0.000 2.019 194 A HA 0.075 4.395 4.320 0.001 0.000 0.219 194 A C 2.108 179.644 177.584 -0.080 0.000 1.164 194 A CA 1.518 53.516 52.037 -0.065 0.000 0.644 194 A CB -0.460 18.537 19.000 -0.004 0.000 0.805 194 A HN 0.430 nan 8.150 nan 0.000 0.449 195 F N 0.026 119.931 119.950 -0.074 0.000 2.128 195 F HA -0.099 4.428 4.527 0.000 0.000 0.295 195 F C 2.270 178.063 175.800 -0.012 0.000 1.100 195 F CA 1.892 59.845 58.000 -0.079 0.000 1.260 195 F CB -0.561 38.411 39.000 -0.046 0.000 1.009 195 F HN 0.406 nan 8.300 nan 0.000 0.476 196 H N -1.557 117.427 119.070 -0.143 0.000 2.460 196 H HA -0.250 4.307 4.556 0.001 0.000 0.297 196 H C 2.458 177.579 175.328 -0.346 0.000 1.103 196 H CA 1.100 57.042 56.048 -0.177 0.000 1.292 196 H CB -0.465 29.378 29.762 0.135 0.000 1.376 196 H HN 0.478 nan 8.280 nan 0.000 0.531 197 c N 0.760 119.031 118.600 -0.548 0.000 2.440 197 c HA -0.095 4.476 4.570 0.001 0.000 0.278 197 c C 2.654 176.478 174.090 -0.443 0.000 1.295 197 c CA 0.377 56.177 56.329 -0.881 0.000 1.738 197 c CB -1.320 40.592 42.510 -0.996 0.000 1.987 197 c HN 0.526 nan 8.230 nan 0.000 0.492 198 L N 0.629 121.601 121.223 -0.418 0.000 2.068 198 L HA -0.044 4.297 4.340 0.001 0.000 0.204 198 L C 2.639 179.324 176.870 -0.309 0.000 1.076 198 L CA 1.820 56.459 54.840 -0.334 0.000 0.753 198 L CB -1.020 40.812 42.059 -0.378 0.000 0.910 198 L HN 0.384 nan 8.230 nan 0.000 0.439 199 K N -0.228 119.882 120.400 -0.484 0.000 2.152 199 K HA -0.205 4.116 4.320 0.001 0.000 0.206 199 K C 1.007 177.499 176.600 -0.181 0.000 1.048 199 K CA 1.691 57.772 56.287 -0.344 0.000 0.933 199 K CB 0.076 32.272 32.500 -0.506 0.000 0.721 199 K HN 0.337 nan 8.250 nan 0.000 0.447 200 D N -0.927 119.384 120.400 -0.149 0.000 2.328 200 D HA 0.070 4.711 4.640 0.001 0.000 0.226 200 D C 0.735 177.011 176.300 -0.040 0.000 1.066 200 D CA 0.747 54.718 54.000 -0.048 0.000 0.861 200 D CB 0.564 41.401 40.800 0.061 0.000 0.912 200 D HN 0.431 nan 8.370 nan 0.000 0.521 201 G N 1.046 109.802 108.800 -0.074 0.000 2.148 201 G HA2 -0.317 3.644 3.960 0.001 0.000 0.254 201 G HA3 -0.317 3.644 3.960 0.001 0.000 0.254 201 G C 1.364 176.234 174.900 -0.049 0.000 0.981 201 G CA 0.172 45.240 45.100 -0.054 0.000 0.670 201 G HN 0.195 nan 8.290 nan 0.000 0.528 202 K N 0.176 120.534 120.400 -0.070 0.000 2.323 202 K HA 0.224 4.545 4.320 0.001 0.000 0.197 202 K C 1.452 177.996 176.600 -0.093 0.000 1.043 202 K CA 1.035 57.290 56.287 -0.054 0.000 0.997 202 K CB 0.404 32.898 32.500 -0.010 0.000 0.807 202 K HN 0.619 nan 8.250 nan 0.000 0.497 203 G N 0.219 108.932 108.800 -0.145 0.000 2.481 203 G HA2 0.245 4.206 3.960 0.001 0.000 0.315 203 G HA3 0.245 4.206 3.960 0.001 0.000 0.315 203 G C -0.285 174.537 174.900 -0.130 0.000 1.231 203 G CA -0.453 44.547 45.100 -0.168 0.000 0.968 203 G HN -0.145 nan 8.290 nan 0.000 0.482 204 D N -0.690 119.637 120.400 -0.121 0.000 2.271 204 D HA 0.031 4.671 4.640 0.001 0.000 0.206 204 D C 0.781 177.106 176.300 0.042 0.000 0.967 204 D CA 1.080 55.077 54.000 -0.006 0.000 0.867 204 D CB 0.919 41.686 40.800 -0.055 0.000 0.960 204 D HN 0.172 nan 8.370 nan 0.000 0.509 205 V N -0.007 119.814 119.914 -0.154 0.000 2.789 205 V HA 0.747 4.868 4.120 0.001 0.000 0.311 205 V C -0.501 175.295 176.094 -0.496 0.000 1.073 205 V CA -1.310 60.806 62.300 -0.306 0.000 0.921 205 V CB 1.956 33.477 31.823 -0.503 0.000 1.009 205 V HN -0.004 nan 8.190 nan 0.000 0.426 206 A N 2.992 125.491 122.820 -0.535 0.000 2.330 206 A HA 0.894 5.214 4.320 0.001 0.000 0.313 206 A C -1.221 175.983 177.584 -0.633 0.000 1.124 206 A CA -0.347 51.399 52.037 -0.484 0.000 0.774 206 A CB 0.768 19.617 19.000 -0.250 0.000 1.198 206 A HN 0.653 nan 8.150 nan 0.000 0.465 207 F N 2.920 122.732 119.950 -0.230 0.000 2.350 207 F HA 0.483 5.010 4.527 -0.001 0.000 0.365 207 F C 0.696 176.460 175.800 -0.061 0.000 1.122 207 F CA -0.115 57.763 58.000 -0.204 0.000 1.139 207 F CB 1.302 40.164 39.000 -0.231 0.000 1.220 207 F HN 0.533 nan 8.300 nan 0.000 0.499 208 V N 0.190 120.167 119.914 0.106 0.000 3.149 208 V HA 0.668 4.789 4.120 0.001 0.000 0.310 208 V C -0.670 175.565 176.094 0.235 0.000 1.353 208 V CA -1.375 61.050 62.300 0.208 0.000 1.040 208 V CB 1.767 33.664 31.823 0.123 0.000 1.136 208 V HN 0.500 nan 8.190 nan 0.000 0.477 209 K N -0.363 120.135 120.400 0.162 0.000 2.210 209 K HA 0.485 4.806 4.320 0.001 0.000 0.236 209 K C 1.073 177.582 176.600 -0.151 0.000 1.016 209 K CA -0.019 56.290 56.287 0.036 0.000 0.913 209 K CB 0.839 33.167 32.500 -0.287 0.000 1.141 209 K HN 0.903 nan 8.250 nan 0.000 0.462 210 H N -0.489 118.451 119.070 -0.217 0.000 2.518 210 H HA -0.080 4.478 4.556 0.002 0.000 0.289 210 H C 0.947 175.929 175.328 -0.576 0.000 1.051 210 H CA 1.692 57.462 56.048 -0.463 0.000 1.280 210 H CB -0.489 28.845 29.762 -0.714 0.000 1.380 210 H HN 0.802 nan 8.280 nan 0.000 0.566 211 T N -2.849 111.178 114.554 -0.880 0.000 3.044 211 T HA 0.043 4.394 4.350 0.001 0.000 0.250 211 T C 1.658 176.059 174.700 -0.497 0.000 1.081 211 T CA 0.513 62.198 62.100 -0.692 0.000 1.040 211 T CB -0.382 68.042 68.868 -0.740 0.000 0.962 211 T HN 0.250 nan 8.240 nan 0.000 0.506 212 T N 2.444 116.727 114.554 -0.452 0.000 2.720 212 T HA -0.085 4.265 4.350 0.001 0.000 0.268 212 T C 1.999 176.348 174.700 -0.586 0.000 1.037 212 T CA 1.381 63.227 62.100 -0.423 0.000 1.144 212 T CB -0.616 68.088 68.868 -0.274 0.000 0.864 212 T HN 0.269 nan 8.240 nan 0.000 0.444 213 V N 1.895 121.473 119.914 -0.561 0.000 2.515 213 V HA -0.126 3.995 4.120 0.001 0.000 0.250 213 V C 2.330 178.159 176.094 -0.442 0.000 1.058 213 V CA 1.526 63.434 62.300 -0.652 0.000 1.064 213 V CB -0.708 30.899 31.823 -0.360 0.000 0.675 213 V HN 0.430 nan 8.190 nan 0.000 0.461 214 N N -0.182 118.323 118.700 -0.325 0.000 2.354 214 N HA -0.098 4.643 4.740 0.001 0.000 0.179 214 N C 1.801 177.167 175.510 -0.241 0.000 1.021 214 N CA 0.773 53.683 53.050 -0.233 0.000 0.887 214 N CB 0.027 38.396 38.487 -0.197 0.000 0.974 214 N HN 0.523 nan 8.380 nan 0.000 0.437 215 E N -0.790 119.227 120.200 -0.304 0.000 2.299 215 E HA 0.085 4.436 4.350 0.001 0.000 0.193 215 E C 0.459 176.925 176.600 -0.224 0.000 0.998 215 E CA 0.501 56.752 56.400 -0.248 0.000 0.851 215 E CB 0.222 29.765 29.700 -0.261 0.000 0.795 215 E HN 0.447 nan 8.360 nan 0.000 0.492 216 N N -1.017 117.483 118.700 -0.334 0.000 2.145 216 N HA 0.145 4.885 4.740 0.001 0.000 0.219 216 N C -0.137 175.287 175.510 -0.143 0.000 1.266 216 N CA 0.229 53.148 53.050 -0.218 0.000 0.902 216 N CB 2.046 40.391 38.487 -0.235 0.000 1.078 216 N HN -0.076 nan 8.380 nan 0.000 0.513 217 A N 1.157 123.852 122.820 -0.209 0.000 3.368 217 A HA 0.358 4.679 4.320 0.001 0.000 0.211 217 A C -2.217 175.351 177.584 -0.026 0.000 1.004 217 A CA -0.536 51.480 52.037 -0.034 0.000 1.059 217 A CB 0.403 19.482 19.000 0.132 0.000 1.298 217 A HN -0.166 nan 8.150 nan 0.000 0.613 218 P HA -0.146 nan 4.420 nan 0.000 0.216 218 P C 0.616 177.916 177.300 0.000 0.000 1.150 218 P CA 1.485 64.562 63.100 -0.038 0.000 0.837 218 P CB 0.250 31.921 31.700 -0.048 0.000 0.786 219 D N -1.181 119.228 120.400 0.014 0.000 2.305 219 D HA -0.045 4.595 4.640 0.001 0.000 0.206 219 D C 1.470 177.794 176.300 0.040 0.000 0.974 219 D CA 0.772 54.785 54.000 0.020 0.000 0.871 219 D CB -0.305 40.504 40.800 0.015 0.000 0.947 219 D HN 0.194 nan 8.370 nan 0.000 0.516 220 Q N 0.377 120.222 119.800 0.075 0.000 2.320 220 Q HA 0.132 4.473 4.340 0.001 0.000 0.201 220 Q C 1.506 177.618 176.000 0.187 0.000 0.910 220 Q CA 0.047 55.921 55.803 0.118 0.000 0.946 220 Q CB 0.301 29.152 28.738 0.189 0.000 1.062 220 Q HN 0.117 nan 8.270 nan 0.000 0.503 221 K N 0.877 121.362 120.400 0.143 0.000 2.160 221 K HA -0.192 4.129 4.320 0.001 0.000 0.206 221 K C 1.067 177.750 176.600 0.137 0.000 1.047 221 K CA 1.548 57.931 56.287 0.160 0.000 0.930 221 K CB 0.056 32.598 32.500 0.070 0.000 0.720 221 K HN 0.428 nan 8.250 nan 0.000 0.450 222 D N 0.120 120.557 120.400 0.062 0.000 2.348 222 D HA -0.147 4.494 4.640 0.001 0.000 0.216 222 D C 0.748 177.024 176.300 -0.040 0.000 0.970 222 D CA 0.864 54.873 54.000 0.015 0.000 0.889 222 D CB -0.177 40.623 40.800 -0.001 0.000 0.912 222 D HN 0.305 nan 8.370 nan 0.000 0.524 223 E N -1.215 118.922 120.200 -0.104 0.000 2.489 223 E HA 0.044 4.395 4.350 0.001 0.000 0.193 223 E C -0.474 175.782 176.600 -0.573 0.000 1.057 223 E CA 0.055 56.258 56.400 -0.328 0.000 0.866 223 E CB 0.169 29.610 29.700 -0.432 0.000 0.916 223 E HN 0.326 nan 8.360 nan 0.000 0.500 224 Y N 0.086 120.387 120.300 0.002 0.000 2.499 224 Y HA 0.401 4.951 4.550 0.000 0.000 0.347 224 Y C 0.190 176.082 175.900 -0.013 0.000 0.987 224 Y CA -0.959 57.142 58.100 0.001 0.000 1.044 224 Y CB 1.786 40.276 38.460 0.051 0.000 1.245 224 Y HN -0.202 nan 8.280 nan 0.000 0.461 225 E N 1.399 121.680 120.200 0.135 0.000 2.393 225 E HA 0.731 5.082 4.350 0.001 0.000 0.265 225 E C -1.574 175.056 176.600 0.049 0.000 0.941 225 E CA -0.965 55.469 56.400 0.057 0.000 0.801 225 E CB 2.407 32.099 29.700 -0.015 0.000 1.313 225 E HN 0.437 nan 8.360 nan 0.000 0.435 226 L N 1.511 122.757 121.223 0.038 0.000 2.362 226 L HA 0.421 4.762 4.340 0.001 0.000 0.271 226 L C -1.136 175.776 176.870 0.069 0.000 1.002 226 L CA -1.089 53.782 54.840 0.052 0.000 0.818 226 L CB 1.289 43.400 42.059 0.086 0.000 1.298 226 L HN 0.260 nan 8.230 nan 0.000 0.420 227 L N 2.560 123.855 121.223 0.119 0.000 2.268 227 L HA 0.327 4.668 4.340 0.001 0.000 0.289 227 L C -0.341 176.752 176.870 0.372 0.000 1.064 227 L CA 0.105 55.076 54.840 0.218 0.000 0.824 227 L CB 0.462 42.687 42.059 0.277 0.000 1.202 227 L HN 0.642 nan 8.230 nan 0.000 0.433 228 c N 3.917 122.659 118.600 0.236 0.000 2.459 228 c HA 0.242 4.813 4.570 0.001 0.000 0.374 228 c C 2.095 176.244 174.090 0.098 0.000 1.241 228 c CA -0.946 55.500 56.329 0.195 0.000 2.352 228 c CB 0.774 43.345 42.510 0.100 0.000 2.490 228 c HN 0.774 nan 8.230 nan 0.000 0.583 229 L N 1.616 122.806 121.223 -0.056 0.000 2.456 229 L HA -0.089 4.252 4.340 0.001 0.000 0.224 229 L C 1.804 178.621 176.870 -0.089 0.000 1.148 229 L CA 1.070 55.793 54.840 -0.194 0.000 0.825 229 L CB -0.458 41.407 42.059 -0.322 0.000 0.937 229 L HN 0.803 nan 8.230 nan 0.000 0.450 230 D N -0.611 119.771 120.400 -0.030 0.000 2.324 230 D HA 0.032 4.672 4.640 0.001 0.000 0.235 230 D C 1.462 177.769 176.300 0.011 0.000 1.095 230 D CA 0.723 54.716 54.000 -0.012 0.000 0.871 230 D CB 0.229 41.026 40.800 -0.005 0.000 0.906 230 D HN 0.238 nan 8.370 nan 0.000 0.522 231 G N 0.139 108.957 108.800 0.030 0.000 2.241 231 G HA2 -0.308 3.653 3.960 0.001 0.000 0.244 231 G HA3 -0.308 3.653 3.960 0.001 0.000 0.244 231 G C 0.517 175.449 174.900 0.052 0.000 0.998 231 G CA 0.473 45.603 45.100 0.051 0.000 0.621 231 G HN 0.832 nan 8.290 nan 0.000 0.519 232 S N -0.485 115.240 115.700 0.042 0.000 2.661 232 S HA 0.790 5.260 4.470 0.001 0.000 0.265 232 S C 0.140 174.763 174.600 0.039 0.000 1.225 232 S CA -0.178 58.041 58.200 0.033 0.000 0.986 232 S CB 1.717 64.931 63.200 0.023 0.000 1.008 232 S HN 0.569 nan 8.310 nan 0.000 0.565 233 R N 0.506 121.017 120.500 0.019 0.000 2.561 233 R HA 0.479 4.819 4.340 0.001 0.000 0.297 233 R C -0.868 175.439 176.300 0.011 0.000 0.969 233 R CA -0.432 55.674 56.100 0.010 0.000 0.879 233 R CB 1.992 32.276 30.300 -0.027 0.000 1.178 233 R HN 0.728 nan 8.270 nan 0.000 0.445 234 Q N 2.441 122.255 119.800 0.023 0.000 2.445 234 Q HA 0.492 4.832 4.340 0.001 0.000 0.281 234 Q C -2.360 173.656 176.000 0.026 0.000 1.101 234 Q CA -2.245 53.569 55.803 0.020 0.000 0.833 234 Q CB 2.620 31.371 28.738 0.022 0.000 1.416 234 Q HN 0.331 nan 8.270 nan 0.000 0.451 235 P HA -0.088 nan 4.420 nan 0.000 0.267 235 P C 0.369 177.705 177.300 0.060 0.000 1.200 235 P CA 0.224 63.345 63.100 0.035 0.000 0.772 235 P CB 0.739 32.453 31.700 0.022 0.000 0.855 236 V N 1.585 121.545 119.914 0.076 0.000 2.828 236 V HA -0.192 3.928 4.120 0.001 0.000 0.260 236 V C 1.673 177.860 176.094 0.155 0.000 1.101 236 V CA 1.981 64.338 62.300 0.095 0.000 1.123 236 V CB -0.997 30.871 31.823 0.074 0.000 0.704 236 V HN 0.546 nan 8.190 nan 0.000 0.493 237 D N -0.356 120.120 120.400 0.127 0.000 2.305 237 D HA -0.023 4.618 4.640 0.001 0.000 0.206 237 D C 1.362 177.675 176.300 0.023 0.000 0.974 237 D CA 0.437 54.531 54.000 0.157 0.000 0.871 237 D CB -0.221 40.620 40.800 0.067 0.000 0.947 237 D HN 0.401 nan 8.370 nan 0.000 0.516 238 N N 0.720 119.416 118.700 -0.007 0.000 2.413 238 N HA -0.044 4.697 4.740 0.001 0.000 0.207 238 N C 1.026 176.461 175.510 -0.125 0.000 1.206 238 N CA -0.086 52.900 53.050 -0.107 0.000 0.832 238 N CB -0.610 37.848 38.487 -0.049 0.000 1.037 238 N HN 0.416 nan 8.380 nan 0.000 0.467 239 Y N -0.451 119.799 120.300 -0.083 0.000 2.365 239 Y HA -0.117 4.435 4.550 0.003 0.000 0.287 239 Y C 1.906 177.616 175.900 -0.317 0.000 1.162 239 Y CA 0.960 58.977 58.100 -0.139 0.000 1.260 239 Y CB -0.270 38.123 38.460 -0.113 0.000 0.976 239 Y HN -0.042 nan 8.280 nan 0.000 0.548 240 K N 0.477 120.456 120.400 -0.702 0.000 2.228 240 K HA -0.054 4.266 4.320 0.001 0.000 0.202 240 K C 1.474 177.892 176.600 -0.304 0.000 1.051 240 K CA 1.395 57.297 56.287 -0.641 0.000 0.960 240 K CB -0.052 32.103 32.500 -0.575 0.000 0.743 240 K HN 0.572 nan 8.250 nan 0.000 0.458 241 T N -3.223 111.209 114.554 -0.204 0.000 3.134 241 T HA 0.118 4.469 4.350 0.001 0.000 0.260 241 T C 0.349 175.026 174.700 -0.039 0.000 1.027 241 T CA -0.537 61.507 62.100 -0.094 0.000 0.913 241 T CB -0.020 68.800 68.868 -0.080 0.000 1.046 241 T HN 0.130 nan 8.240 nan 0.000 0.553 242 c N 3.071 121.659 118.600 -0.021 0.000 3.319 242 c HA 0.568 5.139 4.570 0.001 0.000 0.200 242 c C -0.541 173.645 174.090 0.160 0.000 1.332 242 c CA -0.878 55.493 56.329 0.069 0.000 1.170 242 c CB -1.890 40.656 42.510 0.060 0.000 1.855 242 c HN 0.801 nan 8.230 nan 0.000 0.593 243 N N -1.076 117.731 118.700 0.179 0.000 2.453 243 N HA 0.688 5.429 4.740 0.001 0.000 0.290 243 N C -0.077 175.694 175.510 0.435 0.000 1.250 243 N CA -0.754 52.483 53.050 0.312 0.000 0.815 243 N CB 0.712 39.331 38.487 0.220 0.000 1.381 243 N HN 0.198 nan 8.380 nan 0.000 0.510 244 W N -0.299 121.076 121.300 0.126 0.000 2.808 244 W HA 0.638 5.303 4.660 0.009 0.000 0.266 244 W C 0.030 176.593 176.519 0.073 0.000 1.247 244 W CA 0.492 57.897 57.345 0.101 0.000 1.440 244 W CB -0.084 29.451 29.460 0.125 0.000 1.040 244 W HN 0.815 nan 8.180 nan 0.000 0.606 245 A N -0.121 122.872 122.820 0.288 0.000 2.583 245 A HA 0.603 4.924 4.320 0.001 0.000 0.292 245 A C -1.237 176.407 177.584 0.100 0.000 1.045 245 A CA -0.957 51.162 52.037 0.136 0.000 0.672 245 A CB 0.855 19.874 19.000 0.031 0.000 1.283 245 A HN -0.033 nan 8.150 nan 0.000 0.419 246 R N 1.117 121.603 120.500 -0.024 0.000 2.215 246 R HA 0.578 4.919 4.340 0.001 0.000 0.336 246 R C -0.554 175.560 176.300 -0.311 0.000 0.996 246 R CA -0.263 55.704 56.100 -0.222 0.000 0.847 246 R CB 0.606 30.731 30.300 -0.291 0.000 1.127 246 R HN 0.937 nan 8.270 nan 0.000 0.465 247 V N 1.323 120.967 119.914 -0.449 0.000 2.850 247 V HA 0.757 4.878 4.120 0.001 0.000 0.315 247 V C 0.346 176.177 176.094 -0.439 0.000 1.064 247 V CA -1.253 60.715 62.300 -0.553 0.000 0.979 247 V CB 1.525 32.899 31.823 -0.749 0.000 1.039 247 V HN 0.812 nan 8.190 nan 0.000 0.452 248 A N 1.916 124.559 122.820 -0.294 0.000 2.462 248 A HA 0.708 5.029 4.320 0.001 0.000 0.243 248 A C 0.843 178.517 177.584 0.151 0.000 1.076 248 A CA 0.260 52.214 52.037 -0.137 0.000 0.773 248 A CB -0.183 18.661 19.000 -0.260 0.000 1.010 248 A HN 2.080 nan 8.150 nan 0.000 0.493 249 A N 1.962 125.011 122.820 0.382 0.000 2.455 249 A HA 0.299 4.620 4.320 0.001 0.000 0.244 249 A C 0.486 178.548 177.584 0.797 0.000 1.099 249 A CA -0.058 52.434 52.037 0.759 0.000 0.786 249 A CB -0.270 19.096 19.000 0.610 0.000 1.051 249 A HN 0.913 nan 8.150 nan 0.000 0.508 250 H N -0.576 118.876 119.070 0.637 0.000 2.732 250 H HA 0.400 4.957 4.556 0.001 0.000 0.351 250 H C 0.338 175.932 175.328 0.443 0.000 1.090 250 H CA 0.681 57.028 56.048 0.499 0.000 1.431 250 H CB 0.895 30.914 29.762 0.428 0.000 1.447 250 H HN 0.801 nan 8.280 nan 0.000 0.582 251 A N 3.100 126.162 122.820 0.404 0.000 2.435 251 A HA 0.386 4.707 4.320 0.001 0.000 0.304 251 A C -0.707 177.007 177.584 0.217 0.000 1.064 251 A CA -0.700 51.501 52.037 0.274 0.000 0.727 251 A CB 1.340 20.342 19.000 0.003 0.000 1.284 251 A HN 0.460 nan 8.150 nan 0.000 0.415 252 V N 2.782 122.848 119.914 0.253 0.000 2.427 252 V HA 0.379 4.500 4.120 0.001 0.000 0.268 252 V C 0.661 176.795 176.094 0.066 0.000 1.046 252 V CA 0.007 62.445 62.300 0.230 0.000 0.970 252 V CB 0.458 32.529 31.823 0.413 0.000 1.001 252 V HN 0.949 nan 8.190 nan 0.000 0.476 253 V N 2.851 122.758 119.914 -0.011 0.000 3.096 253 V HA 1.096 5.216 4.120 0.001 0.000 0.319 253 V C 0.011 176.049 176.094 -0.093 0.000 1.082 253 V CA -0.195 62.072 62.300 -0.055 0.000 1.022 253 V CB 1.673 33.467 31.823 -0.048 0.000 1.103 253 V HN 1.327 nan 8.190 nan 0.000 0.455 254 A N 1.610 124.383 122.820 -0.078 0.000 2.522 254 A HA 0.668 4.988 4.320 0.001 0.000 0.291 254 A C -0.645 176.907 177.584 -0.053 0.000 1.039 254 A CA -1.095 50.894 52.037 -0.081 0.000 0.643 254 A CB 0.877 19.840 19.000 -0.062 0.000 1.310 254 A HN 0.924 nan 8.150 nan 0.000 0.436 255 R N 0.694 121.167 120.500 -0.045 0.000 2.491 255 R HA 0.256 4.596 4.340 0.001 0.000 0.283 255 R C -0.764 175.522 176.300 -0.023 0.000 1.072 255 R CA -0.341 55.743 56.100 -0.027 0.000 1.048 255 R CB 0.458 30.745 30.300 -0.021 0.000 0.983 255 R HN 0.647 nan 8.270 nan 0.000 0.450 256 D N 3.205 123.593 120.400 -0.021 0.000 2.429 256 D HA 0.004 4.645 4.640 0.001 0.000 0.253 256 D C -0.870 175.421 176.300 -0.016 0.000 1.294 256 D CA 0.328 54.315 54.000 -0.022 0.000 1.063 256 D CB -0.206 40.579 40.800 -0.024 0.000 1.096 256 D HN 0.533 nan 8.370 nan 0.000 0.516 257 D N 0.130 120.524 120.400 -0.010 0.000 2.851 257 D HA 0.069 4.710 4.640 0.001 0.000 0.339 257 D C 1.061 177.365 176.300 0.006 0.000 1.347 257 D CA -0.704 53.294 54.000 -0.004 0.000 0.888 257 D CB -0.106 40.691 40.800 -0.004 0.000 1.431 257 D HN 0.027 nan 8.370 nan 0.000 0.509 258 N N 0.083 118.788 118.700 0.010 0.000 2.272 258 N HA -0.219 4.522 4.740 0.001 0.000 0.185 258 N C 1.087 176.617 175.510 0.033 0.000 1.014 258 N CA 0.968 54.030 53.050 0.020 0.000 0.870 258 N CB -0.352 38.146 38.487 0.018 0.000 0.975 258 N HN 0.268 nan 8.380 nan 0.000 0.433 259 K N 0.753 121.170 120.400 0.028 0.000 2.209 259 K HA 0.040 4.360 4.320 0.001 0.000 0.204 259 K C 1.943 178.580 176.600 0.062 0.000 1.048 259 K CA 0.292 56.602 56.287 0.038 0.000 0.940 259 K CB -0.380 32.131 32.500 0.019 0.000 0.729 259 K HN 0.107 nan 8.250 nan 0.000 0.451 260 V N 1.281 121.228 119.914 0.055 0.000 2.324 260 V HA -0.264 3.856 4.120 0.001 0.000 0.250 260 V C 2.289 178.465 176.094 0.136 0.000 1.060 260 V CA 2.014 64.361 62.300 0.079 0.000 1.042 260 V CB -0.395 31.450 31.823 0.037 0.000 0.650 260 V HN 0.314 nan 8.190 nan 0.000 0.450 261 E N 0.041 120.309 120.200 0.113 0.000 2.209 261 E HA -0.204 4.147 4.350 0.001 0.000 0.196 261 E C 1.684 178.399 176.600 0.192 0.000 0.993 261 E CA 1.465 57.952 56.400 0.144 0.000 0.819 261 E CB -0.200 29.558 29.700 0.096 0.000 0.745 261 E HN 0.671 nan 8.360 nan 0.000 0.477 262 D N -1.134 119.366 120.400 0.166 0.000 2.324 262 D HA 0.063 4.704 4.640 0.001 0.000 0.212 262 D C 1.963 178.397 176.300 0.224 0.000 0.984 262 D CA 0.257 54.359 54.000 0.171 0.000 0.885 262 D CB -0.072 40.802 40.800 0.123 0.000 0.996 262 D HN 0.257 nan 8.370 nan 0.000 0.505 263 I N 0.462 121.169 120.570 0.227 0.000 2.264 263 I HA -0.207 3.964 4.170 0.001 0.000 0.248 263 I C 2.373 178.732 176.117 0.404 0.000 1.111 263 I CA 0.933 62.405 61.300 0.288 0.000 1.382 263 I CB -0.094 38.047 38.000 0.234 0.000 1.060 263 I HN 0.176 nan 8.210 nan 0.000 0.418 264 W N 1.489 122.901 121.300 0.186 0.000 2.518 264 W HA -0.110 4.550 4.660 0.001 0.000 0.273 264 W C 2.312 178.931 176.519 0.166 0.000 1.247 264 W CA 0.903 58.354 57.345 0.176 0.000 1.288 264 W CB 0.135 29.666 29.460 0.119 0.000 1.107 264 W HN 0.083 nan 8.180 nan 0.000 0.586 265 S N 0.978 116.752 115.700 0.123 0.000 2.345 265 S HA -0.211 4.260 4.470 0.001 0.000 0.220 265 S C 1.475 176.046 174.600 -0.049 0.000 1.031 265 S CA 1.532 59.730 58.200 -0.003 0.000 0.996 265 S CB -1.115 62.145 63.200 0.100 0.000 0.882 265 S HN 0.331 nan 8.310 nan 0.000 0.445 266 F N 2.367 122.294 119.950 -0.039 0.000 2.065 266 F HA -0.147 4.381 4.527 0.001 0.000 0.298 266 F C 1.926 177.669 175.800 -0.094 0.000 1.112 266 F CA 1.474 59.459 58.000 -0.025 0.000 1.212 266 F CB -0.352 38.686 39.000 0.064 0.000 0.975 266 F HN 0.090 nan 8.300 nan 0.000 0.476 267 L N -1.038 120.256 121.223 0.118 0.000 2.141 267 L HA -0.203 4.137 4.340 0.001 0.000 0.209 267 L C 2.629 179.267 176.870 -0.388 0.000 1.094 267 L CA 1.428 56.228 54.840 -0.068 0.000 0.763 267 L CB -0.825 41.270 42.059 0.059 0.000 0.908 267 L HN 0.177 nan 8.230 nan 0.000 0.437 268 S N -0.284 115.021 115.700 -0.657 0.000 2.481 268 S HA -0.154 4.317 4.470 0.001 0.000 0.231 268 S C 2.001 176.381 174.600 -0.366 0.000 0.996 268 S CA 1.008 58.833 58.200 -0.625 0.000 0.942 268 S CB -0.033 62.684 63.200 -0.804 0.000 0.768 268 S HN 0.361 nan 8.310 nan 0.000 0.520 269 K N 1.224 121.413 120.400 -0.352 0.000 1.980 269 K HA 0.069 4.390 4.320 0.001 0.000 0.208 269 K C 2.128 178.524 176.600 -0.340 0.000 1.043 269 K CA 1.404 57.494 56.287 -0.329 0.000 0.938 269 K CB -0.886 31.390 32.500 -0.372 0.000 0.724 269 K HN 0.267 nan 8.250 nan 0.000 0.438 270 A N 1.508 124.124 122.820 -0.339 0.000 2.070 270 A HA -0.139 4.182 4.320 0.001 0.000 0.220 270 A C 2.119 179.600 177.584 -0.172 0.000 1.159 270 A CA 1.210 53.161 52.037 -0.143 0.000 0.656 270 A CB -0.397 18.553 19.000 -0.083 0.000 0.800 270 A HN 0.558 nan 8.150 nan 0.000 0.453 271 Q N -0.513 119.149 119.800 -0.229 0.000 2.079 271 Q HA -0.111 4.230 4.340 0.001 0.000 0.200 271 Q C 2.314 178.231 176.000 -0.138 0.000 0.974 271 Q CA 1.707 57.416 55.803 -0.157 0.000 0.840 271 Q CB -0.151 28.534 28.738 -0.088 0.000 0.898 271 Q HN 0.657 nan 8.270 nan 0.000 0.430 272 S N 0.711 116.293 115.700 -0.197 0.000 2.387 272 S HA -0.096 4.374 4.470 0.001 0.000 0.226 272 S C 1.234 175.659 174.600 -0.291 0.000 1.026 272 S CA 1.077 59.157 58.200 -0.200 0.000 0.972 272 S CB -0.002 63.081 63.200 -0.196 0.000 0.814 272 S HN 0.346 nan 8.310 nan 0.000 0.477 273 D N 0.368 120.478 120.400 -0.483 0.000 2.197 273 D HA 0.076 4.717 4.640 0.001 0.000 0.212 273 D C 0.432 176.233 176.300 -0.832 0.000 0.963 273 D CA 0.883 54.387 54.000 -0.828 0.000 0.864 273 D CB -0.095 39.875 40.800 -1.383 0.000 1.009 273 D HN 0.402 nan 8.370 nan 0.000 0.479 274 F N 0.788 120.659 119.950 -0.132 0.000 2.708 274 F HA 0.395 4.923 4.527 0.001 0.000 0.300 274 F C 1.546 177.229 175.800 -0.194 0.000 1.118 274 F CA -0.813 57.109 58.000 -0.130 0.000 1.307 274 F CB 0.214 39.227 39.000 0.023 0.000 0.986 274 F HN -0.183 nan 8.300 nan 0.000 0.522 275 G N 0.782 109.556 108.800 -0.044 0.000 2.935 275 G HA2 0.185 4.145 3.960 0.001 0.000 0.157 275 G HA3 0.185 4.145 3.960 0.001 0.000 0.157 275 G C 1.270 176.239 174.900 0.116 0.000 1.712 275 G CA 0.588 45.710 45.100 0.035 0.000 1.071 275 G HN 0.088 nan 8.290 nan 0.000 0.539 276 V N -0.839 119.168 119.914 0.154 0.000 2.992 276 V HA 0.098 4.219 4.120 0.001 0.000 0.250 276 V C 1.773 177.921 176.094 0.090 0.000 1.090 276 V CA 1.686 64.070 62.300 0.141 0.000 1.101 276 V CB -0.264 31.628 31.823 0.115 0.000 0.743 276 V HN 0.592 nan 8.190 nan 0.000 0.468 277 D N 0.358 120.788 120.400 0.050 0.000 2.319 277 D HA 0.028 4.669 4.640 0.001 0.000 0.230 277 D C 0.930 177.229 176.300 -0.001 0.000 1.094 277 D CA 0.262 54.276 54.000 0.023 0.000 0.856 277 D CB -0.141 40.663 40.800 0.007 0.000 0.915 277 D HN 0.388 nan 8.370 nan 0.000 0.517 278 T N -0.009 114.536 114.554 -0.015 0.000 2.856 278 T HA 0.082 4.433 4.350 0.001 0.000 0.306 278 T C 0.853 175.531 174.700 -0.036 0.000 1.062 278 T CA -0.133 61.927 62.100 -0.066 0.000 1.083 278 T CB 1.015 69.800 68.868 -0.138 0.000 0.984 278 T HN -0.162 nan 8.240 nan 0.000 0.542 279 K N 1.214 121.589 120.400 -0.041 0.000 2.440 279 K HA 0.209 4.530 4.320 0.001 0.000 0.207 279 K C 1.001 177.605 176.600 0.006 0.000 1.112 279 K CA -0.052 56.233 56.287 -0.004 0.000 1.036 279 K CB 0.381 32.879 32.500 -0.003 0.000 0.935 279 K HN 0.568 nan 8.250 nan 0.000 0.564 280 S N 1.022 116.722 115.700 -0.001 0.000 2.617 280 S HA 0.021 4.491 4.470 0.001 0.000 0.255 280 S C 0.677 175.298 174.600 0.036 0.000 1.318 280 S CA 0.058 58.291 58.200 0.055 0.000 0.978 280 S CB 0.621 63.928 63.200 0.179 0.000 0.961 280 S HN 0.073 nan 8.310 nan 0.000 0.582 281 D N -0.039 120.417 120.400 0.093 0.000 2.323 281 D HA 0.116 4.757 4.640 0.001 0.000 0.209 281 D C -0.138 176.264 176.300 0.170 0.000 0.973 281 D CA 0.467 54.547 54.000 0.134 0.000 0.874 281 D CB -0.195 40.672 40.800 0.111 0.000 0.930 281 D HN 0.409 nan 8.370 nan 0.000 0.521 282 F N 1.506 121.411 119.950 -0.075 0.000 2.424 282 F HA 0.222 4.750 4.527 0.002 0.000 0.356 282 F C -0.123 175.529 175.800 -0.246 0.000 1.110 282 F CA -0.524 57.380 58.000 -0.159 0.000 1.161 282 F CB 0.467 39.209 39.000 -0.430 0.000 1.115 282 F HN -0.189 nan 8.300 nan 0.000 0.507 283 H N 5.970 124.692 119.070 -0.581 0.000 2.481 283 H HA 0.299 4.856 4.556 0.001 0.000 0.333 283 H C 0.386 175.256 175.328 -0.764 0.000 1.066 283 H CA -0.637 55.150 56.048 -0.435 0.000 1.209 283 H CB 1.894 31.501 29.762 -0.258 0.000 1.445 283 H HN 0.660 nan 8.280 nan 0.000 0.488 284 L N 2.104 123.075 121.223 -0.420 0.000 2.145 284 L HA 0.216 4.557 4.340 0.001 0.000 0.201 284 L C -0.235 176.425 176.870 -0.349 0.000 1.075 284 L CA 1.223 55.775 54.840 -0.480 0.000 0.773 284 L CB 0.180 41.877 42.059 -0.604 0.000 0.936 284 L HN 0.424 nan 8.230 nan 0.000 0.451 285 F N 0.559 120.490 119.950 -0.033 0.000 2.303 285 F HA 0.619 5.148 4.527 0.002 0.000 0.368 285 F C 0.996 176.790 175.800 -0.010 0.000 1.105 285 F CA -0.386 57.611 58.000 -0.006 0.000 1.153 285 F CB 0.098 39.080 39.000 -0.029 0.000 1.362 285 F HN 0.251 nan 8.300 nan 0.000 0.511 286 G N 3.577 112.437 108.800 0.101 0.000 2.445 286 G HA2 -0.116 3.845 3.960 0.001 0.000 0.212 286 G HA3 -0.116 3.845 3.960 0.001 0.000 0.212 286 G C -2.954 171.881 174.900 -0.108 0.000 1.217 286 G CA -1.073 44.027 45.100 0.001 0.000 1.002 286 G HN 0.447 nan 8.290 nan 0.000 0.574 287 P HA 0.327 nan 4.420 nan 0.000 0.275 287 P C -2.463 174.766 177.300 -0.118 0.000 1.227 287 P CA -0.935 62.052 63.100 -0.188 0.000 0.781 287 P CB 0.780 32.291 31.700 -0.315 0.000 0.906 288 P HA 0.104 nan 4.420 nan 0.000 0.241 288 P C 0.446 177.689 177.300 -0.094 0.000 1.760 288 P CA 0.375 63.419 63.100 -0.093 0.000 1.081 288 P CB -0.447 31.193 31.700 -0.100 0.000 1.975 289 G N 1.740 110.488 108.800 -0.087 0.000 2.521 289 G HA2 0.300 4.261 3.960 0.001 0.000 0.323 289 G HA3 0.300 4.261 3.960 0.001 0.000 0.323 289 G C -0.507 174.359 174.900 -0.057 0.000 1.211 289 G CA -0.535 44.523 45.100 -0.071 0.000 0.979 289 G HN 0.107 nan 8.290 nan 0.000 0.490 290 K N 0.294 120.671 120.400 -0.038 0.000 2.401 290 K HA 0.310 4.631 4.320 0.001 0.000 0.278 290 K C -0.113 176.490 176.600 0.005 0.000 1.018 290 K CA 0.363 56.646 56.287 -0.005 0.000 0.981 290 K CB 0.853 33.358 32.500 0.008 0.000 0.933 290 K HN 0.633 nan 8.250 nan 0.000 0.477 291 K N 1.262 121.680 120.400 0.030 0.000 2.580 291 K HA 0.129 4.450 4.320 0.001 0.000 0.288 291 K C -1.525 175.101 176.600 0.044 0.000 1.041 291 K CA -0.751 55.548 56.287 0.020 0.000 0.855 291 K CB 0.975 33.467 32.500 -0.012 0.000 1.543 291 K HN 0.611 nan 8.250 nan 0.000 0.388 292 D N 1.541 121.955 120.400 0.024 0.000 2.389 292 D HA 0.094 4.735 4.640 0.001 0.000 0.247 292 D C -1.562 174.709 176.300 -0.047 0.000 1.128 292 D CA -1.694 52.316 54.000 0.016 0.000 0.884 292 D CB 1.360 42.167 40.800 0.012 0.000 1.194 292 D HN 0.183 nan 8.370 nan 0.000 0.441 293 P HA -0.141 nan 4.420 nan 0.000 0.219 293 P C 1.500 178.756 177.300 -0.074 0.000 1.146 293 P CA 0.589 63.576 63.100 -0.188 0.000 0.808 293 P CB 0.341 31.818 31.700 -0.372 0.000 0.779 294 V N -0.728 119.156 119.914 -0.049 0.000 2.970 294 V HA -0.109 4.011 4.120 0.001 0.000 0.260 294 V C 2.336 178.423 176.094 -0.010 0.000 1.100 294 V CA 1.232 63.520 62.300 -0.021 0.000 1.122 294 V CB -0.928 30.884 31.823 -0.019 0.000 0.721 294 V HN 0.042 nan 8.190 nan 0.000 0.483 295 L N -0.751 120.463 121.223 -0.015 0.000 2.607 295 L HA 0.171 4.511 4.340 0.001 0.000 0.228 295 L C 0.924 177.787 176.870 -0.012 0.000 1.123 295 L CA 0.350 55.184 54.840 -0.010 0.000 0.890 295 L CB 0.002 42.053 42.059 -0.013 0.000 1.103 295 L HN 0.124 nan 8.230 nan 0.000 0.468 296 K N 0.307 120.701 120.400 -0.011 0.000 2.098 296 K HA 0.156 4.477 4.320 0.001 0.000 0.261 296 K C -0.147 176.467 176.600 0.023 0.000 0.987 296 K CA -0.454 55.829 56.287 -0.006 0.000 0.916 296 K CB 0.742 33.233 32.500 -0.016 0.000 1.039 296 K HN -0.056 nan 8.250 nan 0.000 0.455 297 D N 0.893 121.313 120.400 0.033 0.000 2.708 297 D HA -0.199 4.442 4.640 0.001 0.000 0.236 297 D C -0.473 175.874 176.300 0.079 0.000 1.146 297 D CA 0.776 54.819 54.000 0.071 0.000 0.662 297 D CB -1.337 39.527 40.800 0.107 0.000 1.059 297 D HN 0.350 nan 8.370 nan 0.000 0.428 298 L N 0.387 121.643 121.223 0.055 0.000 2.278 298 L HA 0.156 4.497 4.340 0.001 0.000 0.287 298 L C 1.492 178.377 176.870 0.025 0.000 1.072 298 L CA -0.641 54.221 54.840 0.037 0.000 0.819 298 L CB 0.999 43.069 42.059 0.018 0.000 1.176 298 L HN 0.004 nan 8.230 nan 0.000 0.435 299 L N 2.831 124.035 121.223 -0.031 0.000 3.271 299 L HA -0.321 4.020 4.340 0.001 0.000 0.385 299 L C -0.345 176.202 176.870 -0.538 0.000 0.696 299 L CA 1.860 56.551 54.840 -0.248 0.000 3.118 299 L CB -1.226 40.606 42.059 -0.378 0.000 0.639 299 L HN 0.451 nan 8.230 nan 0.000 0.752 300 F N -0.728 119.318 119.950 0.161 0.000 2.613 300 F HA 0.528 5.056 4.527 0.001 0.000 0.314 300 F C 0.747 176.656 175.800 0.181 0.000 1.075 300 F CA -1.074 57.070 58.000 0.240 0.000 0.945 300 F CB 1.128 40.328 39.000 0.332 0.000 1.310 300 F HN -0.312 nan 8.300 nan 0.000 0.467 301 K N 1.139 121.740 120.400 0.335 0.000 2.295 301 K HA 0.094 4.415 4.320 0.001 0.000 0.270 301 K C 0.095 176.778 176.600 0.139 0.000 1.011 301 K CA -0.227 56.144 56.287 0.141 0.000 0.953 301 K CB 0.559 33.051 32.500 -0.014 0.000 0.956 301 K HN 0.513 nan 8.250 nan 0.000 0.477 302 D N 0.553 120.978 120.400 0.042 0.000 2.310 302 D HA -0.113 4.528 4.640 0.001 0.000 0.212 302 D C 1.301 177.602 176.300 0.001 0.000 0.965 302 D CA 1.150 55.168 54.000 0.031 0.000 0.879 302 D CB 0.024 40.804 40.800 -0.033 0.000 0.921 302 D HN 0.479 nan 8.370 nan 0.000 0.510 303 S N -0.105 115.561 115.700 -0.057 0.000 2.562 303 S HA 0.244 4.715 4.470 0.001 0.000 0.221 303 S C 1.127 175.768 174.600 0.068 0.000 0.975 303 S CA -0.211 57.950 58.200 -0.064 0.000 0.918 303 S CB 0.035 63.077 63.200 -0.263 0.000 0.772 303 S HN 0.247 nan 8.310 nan 0.000 0.531 304 A N 2.010 124.839 122.820 0.014 0.000 2.407 304 A HA 0.611 4.931 4.320 0.001 0.000 0.248 304 A C 1.076 178.361 177.584 -0.498 0.000 1.082 304 A CA -0.386 51.453 52.037 -0.329 0.000 0.785 304 A CB -0.099 18.598 19.000 -0.505 0.000 1.020 304 A HN 0.649 nan 8.150 nan 0.000 0.489 305 I N -1.337 118.874 120.570 -0.599 0.000 4.139 305 I HA 0.411 4.581 4.170 0.001 0.000 0.320 305 I C 0.322 176.117 176.117 -0.536 0.000 1.290 305 I CA -0.049 61.001 61.300 -0.416 0.000 1.253 305 I CB -0.079 37.820 38.000 -0.168 0.000 1.122 305 I HN 0.745 nan 8.210 nan 0.000 0.421 306 M N 0.514 119.656 119.600 -0.763 0.000 3.147 306 M HA 0.536 5.016 4.480 0.001 0.000 0.276 306 M C -2.257 173.860 176.300 -0.306 0.000 1.211 306 M CA -0.790 54.256 55.300 -0.423 0.000 0.820 306 M CB 2.234 34.789 32.600 -0.075 0.000 1.621 306 M HN -0.069 nan 8.290 nan 0.000 0.507 307 L N 1.315 122.581 121.223 0.073 0.000 2.334 307 L HA 0.727 5.068 4.340 0.001 0.000 0.273 307 L C -0.635 176.440 176.870 0.342 0.000 1.013 307 L CA -0.590 54.382 54.840 0.220 0.000 0.816 307 L CB 1.955 44.238 42.059 0.373 0.000 1.278 307 L HN 0.686 nan 8.230 nan 0.000 0.431 308 K N 2.153 122.752 120.400 0.331 0.000 2.316 308 K HA 0.454 4.774 4.320 0.001 0.000 0.251 308 K C -0.959 175.744 176.600 0.172 0.000 0.934 308 K CA -0.849 55.620 56.287 0.302 0.000 0.802 308 K CB 1.904 34.561 32.500 0.262 0.000 1.171 308 K HN 0.488 nan 8.250 nan 0.000 0.426 309 R N 2.971 123.373 120.500 -0.163 0.000 2.308 309 R HA 0.226 4.566 4.340 0.001 0.000 0.305 309 R C -0.812 175.279 176.300 -0.348 0.000 1.053 309 R CA -0.481 55.288 56.100 -0.551 0.000 0.957 309 R CB 1.021 30.671 30.300 -1.083 0.000 1.022 309 R HN 0.361 nan 8.270 nan 0.000 0.461 310 V N 7.543 127.188 119.914 -0.449 0.000 2.488 310 V HA 0.159 4.280 4.120 0.001 0.000 0.277 310 V C -1.602 174.209 176.094 -0.472 0.000 1.046 310 V CA -1.406 60.459 62.300 -0.725 0.000 0.986 310 V CB 0.964 32.422 31.823 -0.607 0.000 0.989 310 V HN 0.793 nan 8.190 nan 0.000 0.475 311 P HA 0.018 nan 4.420 nan 0.000 0.265 311 P C 0.677 177.862 177.300 -0.193 0.000 1.187 311 P CA 0.215 63.179 63.100 -0.226 0.000 0.766 311 P CB 0.716 32.329 31.700 -0.145 0.000 0.820 312 S N 1.231 116.849 115.700 -0.137 0.000 2.507 312 S HA -0.084 4.386 4.470 0.001 0.000 0.235 312 S C 1.675 176.223 174.600 -0.086 0.000 0.988 312 S CA 0.386 58.520 58.200 -0.110 0.000 0.944 312 S CB -0.572 62.578 63.200 -0.084 0.000 0.762 312 S HN 0.352 nan 8.310 nan 0.000 0.526 313 L N 1.356 122.534 121.223 -0.076 0.000 2.291 313 L HA 0.162 4.503 4.340 0.001 0.000 0.214 313 L C 0.820 177.659 176.870 -0.052 0.000 1.120 313 L CA 0.974 55.779 54.840 -0.057 0.000 0.799 313 L CB -0.449 41.583 42.059 -0.047 0.000 0.925 313 L HN 0.285 nan 8.230 nan 0.000 0.446 314 M N 0.588 120.149 119.600 -0.064 0.000 2.252 314 M HA 0.086 4.567 4.480 0.001 0.000 0.333 314 M C -0.243 176.034 176.300 -0.037 0.000 1.111 314 M CA 0.462 55.737 55.300 -0.041 0.000 1.140 314 M CB 0.192 32.751 32.600 -0.069 0.000 1.538 314 M HN 0.220 nan 8.290 nan 0.000 0.448 315 D N -0.474 119.926 120.400 -0.001 0.000 2.559 315 D HA 0.362 5.003 4.640 0.001 0.000 0.250 315 D C 0.589 176.925 176.300 0.060 0.000 1.135 315 D CA -0.593 53.405 54.000 -0.002 0.000 0.955 315 D CB 0.477 41.262 40.800 -0.024 0.000 1.442 315 D HN 0.500 nan 8.370 nan 0.000 0.471 316 S N -0.021 115.721 115.700 0.070 0.000 2.372 316 S HA -0.420 4.051 4.470 0.001 0.000 0.227 316 S C 1.776 176.511 174.600 0.225 0.000 1.044 316 S CA 1.778 60.086 58.200 0.181 0.000 1.050 316 S CB -0.766 62.530 63.200 0.160 0.000 0.901 316 S HN 0.673 nan 8.310 nan 0.000 0.447 317 Q N 0.027 119.846 119.800 0.032 0.000 2.135 317 Q HA -0.102 4.239 4.340 0.001 0.000 0.204 317 Q C 2.017 177.947 176.000 -0.116 0.000 0.981 317 Q CA 1.370 56.992 55.803 -0.300 0.000 0.856 317 Q CB -0.164 28.250 28.738 -0.541 0.000 0.902 317 Q HN 0.502 nan 8.270 nan 0.000 0.425 318 L N -0.728 120.501 121.223 0.010 0.000 2.249 318 L HA -0.028 4.313 4.340 0.001 0.000 0.207 318 L C 1.827 178.796 176.870 0.166 0.000 1.090 318 L CA 1.256 56.134 54.840 0.062 0.000 0.802 318 L CB -0.637 41.444 42.059 0.036 0.000 0.947 318 L HN 0.324 nan 8.230 nan 0.000 0.453 319 Y N -0.472 119.888 120.300 0.100 0.000 2.263 319 Y HA -0.130 4.422 4.550 0.003 0.000 0.292 319 Y C 2.077 178.109 175.900 0.220 0.000 1.130 319 Y CA 1.574 59.773 58.100 0.165 0.000 1.179 319 Y CB -0.033 38.517 38.460 0.151 0.000 0.998 319 Y HN 0.090 nan 8.280 nan 0.000 0.532 320 L N -0.263 121.100 121.223 0.233 0.000 2.418 320 L HA 0.208 4.549 4.340 0.001 0.000 0.218 320 L C 1.024 178.033 176.870 0.231 0.000 1.125 320 L CA 0.509 55.507 54.840 0.264 0.000 0.835 320 L CB -0.994 41.356 42.059 0.485 0.000 0.953 320 L HN 0.409 nan 8.230 nan 0.000 0.454 321 G N -0.891 108.017 108.800 0.181 0.000 2.675 321 G HA2 -0.277 3.683 3.960 0.001 0.000 0.686 321 G HA3 -0.277 3.683 3.960 0.001 0.000 0.686 321 G C -0.241 174.794 174.900 0.226 0.000 1.215 321 G CA -0.230 44.973 45.100 0.170 0.000 0.777 321 G HN -0.033 nan 8.290 nan 0.000 0.638 322 F N 1.124 121.122 119.950 0.079 0.000 2.128 322 F HA 0.090 4.617 4.527 -0.001 0.000 0.295 322 F C 2.484 178.355 175.800 0.118 0.000 1.100 322 F CA 2.501 60.551 58.000 0.084 0.000 1.260 322 F CB -0.080 38.940 39.000 0.034 0.000 1.009 322 F HN 0.632 nan 8.300 nan 0.000 0.476 323 E N -0.565 119.662 120.200 0.046 0.000 2.038 323 E HA -0.269 4.082 4.350 0.001 0.000 0.195 323 E C 2.013 178.621 176.600 0.014 0.000 1.000 323 E CA 1.935 58.326 56.400 -0.014 0.000 0.803 323 E CB -0.914 28.826 29.700 0.066 0.000 0.750 323 E HN 0.537 nan 8.360 nan 0.000 0.448 324 Y N -0.488 119.785 120.300 -0.045 0.000 2.200 324 Y HA -0.205 4.346 4.550 0.001 0.000 0.290 324 Y C 2.159 178.035 175.900 -0.040 0.000 1.137 324 Y CA 1.174 59.247 58.100 -0.045 0.000 1.163 324 Y CB -0.690 37.763 38.460 -0.011 0.000 0.988 324 Y HN 0.150 nan 8.280 nan 0.000 0.518 325 Y N 0.133 120.326 120.300 -0.179 0.000 2.181 325 Y HA -0.236 4.314 4.550 0.000 0.000 0.288 325 Y C 2.632 178.401 175.900 -0.219 0.000 1.146 325 Y CA 2.198 60.196 58.100 -0.170 0.000 1.164 325 Y CB -0.479 37.987 38.460 0.009 0.000 0.982 325 Y HN 0.049 nan 8.280 nan 0.000 0.515 326 S N -0.148 115.465 115.700 -0.145 0.000 2.442 326 S HA -0.161 4.310 4.470 0.001 0.000 0.236 326 S C 2.099 176.575 174.600 -0.207 0.000 1.007 326 S CA 0.756 58.817 58.200 -0.233 0.000 0.965 326 S CB -0.504 62.408 63.200 -0.480 0.000 0.773 326 S HN 0.607 nan 8.310 nan 0.000 0.504 327 A N 1.504 124.182 122.820 -0.237 0.000 1.898 327 A HA 0.122 4.442 4.320 0.001 0.000 0.214 327 A C 1.946 179.346 177.584 -0.307 0.000 1.183 327 A CA 0.732 52.646 52.037 -0.205 0.000 0.622 327 A CB -0.523 18.399 19.000 -0.130 0.000 0.824 327 A HN 0.484 nan 8.150 nan 0.000 0.444 328 I N -0.117 120.116 120.570 -0.562 0.000 2.493 328 I HA -0.239 3.931 4.170 0.001 0.000 0.254 328 I C 2.404 178.195 176.117 -0.543 0.000 1.160 328 I CA 0.873 61.736 61.300 -0.728 0.000 1.445 328 I CB -0.278 36.876 38.000 -1.411 0.000 1.086 328 I HN 0.345 nan 8.210 nan 0.000 0.433 329 Q N 0.247 119.821 119.800 -0.378 0.000 2.187 329 Q HA -0.055 4.285 4.340 0.001 0.000 0.199 329 Q C 2.440 178.420 176.000 -0.033 0.000 0.957 329 Q CA 1.035 56.759 55.803 -0.131 0.000 0.857 329 Q CB -0.242 28.472 28.738 -0.041 0.000 0.929 329 Q HN 0.415 nan 8.270 nan 0.000 0.453 330 S N 1.138 116.817 115.700 -0.035 0.000 2.387 330 S HA -0.088 4.382 4.470 0.001 0.000 0.230 330 S C 1.673 176.392 174.600 0.199 0.000 1.035 330 S CA 1.122 59.364 58.200 0.069 0.000 1.014 330 S CB -0.139 63.107 63.200 0.077 0.000 0.836 330 S HN 0.368 nan 8.310 nan 0.000 0.466 331 M N 0.563 120.217 119.600 0.090 0.000 2.654 331 M HA 0.160 4.640 4.480 0.001 0.000 0.217 331 M C 0.838 177.224 176.300 0.142 0.000 1.183 331 M CA 0.393 55.721 55.300 0.046 0.000 0.991 331 M CB -0.007 32.473 32.600 -0.201 0.000 1.749 331 M HN 0.113 nan 8.290 nan 0.000 0.475 332 R N 0.446 121.073 120.500 0.213 0.000 2.539 332 R HA 0.181 4.522 4.340 0.001 0.000 0.342 332 R C -0.607 175.798 176.300 0.175 0.000 0.941 332 R CA 0.015 56.230 56.100 0.191 0.000 1.146 332 R CB 0.854 31.216 30.300 0.103 0.000 1.541 332 R HN 0.164 nan 8.270 nan 0.000 0.525 333 K N 0.356 120.851 120.400 0.158 0.000 2.570 333 K HA 0.230 4.551 4.320 0.001 0.000 0.256 333 K C -1.931 174.646 176.600 -0.039 0.000 0.939 333 K CA -0.877 55.436 56.287 0.044 0.000 0.833 333 K CB 1.565 34.089 32.500 0.039 0.000 1.318 333 K HN -0.212 nan 8.250 nan 0.000 0.433 334 D N 2.581 122.905 120.400 -0.127 0.000 2.531 334 D HA -0.102 4.539 4.640 0.001 0.000 0.239 334 D C 1.069 177.308 176.300 -0.100 0.000 1.144 334 D CA 0.394 54.288 54.000 -0.178 0.000 0.869 334 D CB 0.953 41.651 40.800 -0.170 0.000 1.160 334 D HN 0.536 nan 8.370 nan 0.000 0.484 335 Q N 2.396 122.136 119.800 -0.099 0.000 2.084 335 Q HA -0.130 4.211 4.340 0.001 0.000 0.202 335 Q C 1.433 177.414 176.000 -0.033 0.000 0.978 335 Q CA 1.523 57.297 55.803 -0.048 0.000 0.844 335 Q CB -0.100 28.608 28.738 -0.049 0.000 0.898 335 Q HN 0.563 nan 8.270 nan 0.000 0.426 336 L N -0.261 120.936 121.223 -0.043 0.000 2.042 336 L HA -0.171 4.169 4.340 0.001 0.000 0.210 336 L C 2.308 179.167 176.870 -0.019 0.000 1.076 336 L CA 2.261 57.084 54.840 -0.029 0.000 0.749 336 L CB -1.659 40.379 42.059 -0.034 0.000 0.893 336 L HN 0.186 nan 8.230 nan 0.000 0.432 337 T N -0.485 114.053 114.554 -0.027 0.000 2.708 337 T HA -0.078 4.273 4.350 0.001 0.000 0.266 337 T C -0.311 174.384 174.700 -0.008 0.000 1.037 337 T CA 1.512 63.599 62.100 -0.022 0.000 1.146 337 T CB -1.262 67.586 68.868 -0.034 0.000 0.865 337 T HN 0.338 nan 8.240 nan 0.000 0.435 338 P HA 0.339 nan 4.420 nan 0.000 0.268 338 P C -0.318 176.995 177.300 0.020 0.000 1.329 338 P CA 0.135 63.243 63.100 0.013 0.000 0.899 338 P CB 0.350 32.062 31.700 0.020 0.000 1.378 339 S N 1.812 117.521 115.700 0.016 0.000 2.257 339 S HA 0.324 4.795 4.470 0.001 0.000 0.191 339 S C -2.304 172.307 174.600 0.017 0.000 1.386 339 S CA -0.753 57.460 58.200 0.023 0.000 1.233 339 S CB -0.013 63.202 63.200 0.025 0.000 1.138 339 S HN 0.208 nan 8.310 nan 0.000 0.483 340 P HA 0.605 nan 4.420 nan 0.000 0.303 340 P C -0.270 177.040 177.300 0.017 0.000 1.350 340 P CA -0.696 62.413 63.100 0.013 0.000 0.880 340 P CB 2.305 34.009 31.700 0.007 0.000 1.018 341 R N 0.742 121.253 120.500 0.018 0.000 3.353 341 R HA 0.061 4.402 4.340 0.001 0.000 0.123 341 R C 0.048 176.357 176.300 0.014 0.000 0.773 341 R CA -0.089 56.022 56.100 0.017 0.000 1.642 341 R CB -0.026 30.289 30.300 0.024 0.000 1.666 341 R HN 0.327 nan 8.270 nan 0.000 0.485 342 E N 2.939 123.149 120.200 0.017 0.000 3.057 342 E HA -0.014 4.337 4.350 0.001 0.000 0.314 342 E C -0.031 176.579 176.600 0.017 0.000 1.433 342 E CA 0.366 56.777 56.400 0.018 0.000 1.546 342 E CB -0.447 29.266 29.700 0.022 0.000 1.224 342 E HN 0.372 nan 8.360 nan 0.000 0.483 343 N N -0.113 118.595 118.700 0.012 0.000 1.899 343 N HA 0.067 4.807 4.740 0.001 0.000 0.223 343 N C -0.198 175.312 175.510 0.000 0.000 1.411 343 N CA -0.277 52.779 53.050 0.009 0.000 0.737 343 N CB 0.808 39.299 38.487 0.007 0.000 1.100 343 N HN -0.062 nan 8.380 nan 0.000 0.527 344 R N 1.077 121.576 120.500 -0.002 0.000 2.508 344 R HA 0.408 4.749 4.340 0.001 0.000 0.283 344 R C -1.640 174.653 176.300 -0.011 0.000 1.120 344 R CA -0.394 55.696 56.100 -0.017 0.000 0.958 344 R CB 2.314 32.602 30.300 -0.020 0.000 1.215 344 R HN 0.194 nan 8.270 nan 0.000 0.427 345 I N 2.899 123.458 120.570 -0.017 0.000 2.306 345 I HA 0.276 4.447 4.170 0.001 0.000 0.288 345 I C -0.696 175.426 176.117 0.008 0.000 1.036 345 I CA -0.514 60.795 61.300 0.016 0.000 1.221 345 I CB 1.080 39.120 38.000 0.067 0.000 1.385 345 I HN 0.596 nan 8.210 nan 0.000 0.472 346 Q N 8.274 128.075 119.800 0.001 0.000 2.389 346 Q HA 0.134 4.475 4.340 0.001 0.000 0.244 346 Q C -1.276 174.733 176.000 0.016 0.000 1.056 346 Q CA -0.168 55.634 55.803 -0.002 0.000 0.908 346 Q CB 0.490 29.211 28.738 -0.028 0.000 1.273 346 Q HN 0.688 nan 8.270 nan 0.000 0.471 347 W N 4.098 125.327 121.300 -0.118 0.000 2.303 347 W HA 0.374 5.035 4.660 0.001 0.000 0.334 347 W C -0.827 175.662 176.519 -0.049 0.000 1.197 347 W CA -1.028 56.270 57.345 -0.078 0.000 1.262 347 W CB 1.456 30.864 29.460 -0.087 0.000 1.153 347 W HN 0.529 nan 8.180 nan 0.000 0.596 348 c N 5.559 124.068 118.600 -0.152 0.000 2.225 348 c HA 0.707 5.278 4.570 0.001 0.000 0.323 348 c C 0.309 174.448 174.090 0.082 0.000 1.164 348 c CA -0.356 55.939 56.329 -0.057 0.000 1.565 348 c CB -1.323 41.083 42.510 -0.173 0.000 2.124 348 c HN 0.540 nan 8.230 nan 0.000 0.461 349 A N 4.920 127.830 122.820 0.150 0.000 2.304 349 A HA 0.713 5.034 4.320 0.001 0.000 0.301 349 A C -0.496 177.123 177.584 0.059 0.000 1.132 349 A CA -0.319 51.806 52.037 0.147 0.000 0.819 349 A CB 0.767 19.862 19.000 0.158 0.000 1.094 349 A HN 0.840 nan 8.150 nan 0.000 0.492 350 V N 2.450 122.387 119.914 0.039 0.000 2.311 350 V HA 0.633 4.754 4.120 0.001 0.000 0.275 350 V C 0.837 176.904 176.094 -0.045 0.000 1.022 350 V CA 0.718 63.001 62.300 -0.029 0.000 0.830 350 V CB -0.247 31.544 31.823 -0.054 0.000 1.012 350 V HN 2.007 nan 8.190 nan 0.000 0.452 351 G N 5.058 113.825 108.800 -0.055 0.000 2.760 351 G HA2 -0.196 3.764 3.960 0.001 0.000 0.246 351 G HA3 -0.196 3.764 3.960 0.001 0.000 0.246 351 G C 0.321 175.322 174.900 0.169 0.000 1.359 351 G CA 0.177 45.279 45.100 0.003 0.000 0.861 351 G HN 0.616 nan 8.290 nan 0.000 0.541 352 K N -0.327 120.295 120.400 0.371 0.000 2.103 352 K HA -0.006 4.315 4.320 0.001 0.000 0.204 352 K C 1.897 178.542 176.600 0.076 0.000 1.052 352 K CA 1.577 57.948 56.287 0.140 0.000 0.945 352 K CB -0.066 32.439 32.500 0.008 0.000 0.722 352 K HN 0.499 nan 8.250 nan 0.000 0.443 353 D N 0.878 121.328 120.400 0.083 0.000 2.194 353 D HA -0.110 4.530 4.640 0.001 0.000 0.204 353 D C 1.572 177.923 176.300 0.086 0.000 0.964 353 D CA 0.951 54.991 54.000 0.067 0.000 0.846 353 D CB 0.073 40.917 40.800 0.074 0.000 0.962 353 D HN 0.272 nan 8.370 nan 0.000 0.490 354 E N 0.618 120.878 120.200 0.101 0.000 2.152 354 E HA -0.156 4.195 4.350 0.001 0.000 0.192 354 E C 1.902 178.567 176.600 0.107 0.000 0.983 354 E CA 0.620 57.087 56.400 0.112 0.000 0.818 354 E CB 0.162 29.932 29.700 0.116 0.000 0.758 354 E HN -0.001 nan 8.360 nan 0.000 0.467 355 K N 1.214 121.667 120.400 0.088 0.000 2.057 355 K HA -0.109 4.212 4.320 0.001 0.000 0.207 355 K C 2.126 178.760 176.600 0.057 0.000 1.049 355 K CA 1.648 57.978 56.287 0.072 0.000 0.931 355 K CB -0.616 31.918 32.500 0.057 0.000 0.714 355 K HN -0.051 nan 8.250 nan 0.000 0.440 356 S N 0.219 115.948 115.700 0.049 0.000 2.353 356 S HA -0.187 4.284 4.470 0.001 0.000 0.222 356 S C 2.028 176.650 174.600 0.037 0.000 1.035 356 S CA 1.864 60.084 58.200 0.033 0.000 1.025 356 S CB -0.406 62.813 63.200 0.032 0.000 0.902 356 S HN 0.479 nan 8.310 nan 0.000 0.440 357 K N -0.300 120.143 120.400 0.072 0.000 2.103 357 K HA -0.123 4.198 4.320 0.001 0.000 0.207 357 K C 2.442 179.090 176.600 0.080 0.000 1.048 357 K CA 1.492 57.844 56.287 0.108 0.000 0.930 357 K CB -0.522 32.066 32.500 0.147 0.000 0.716 357 K HN 0.528 nan 8.250 nan 0.000 0.444 358 c N 1.346 120.012 118.600 0.109 0.000 2.467 358 c HA -0.025 4.546 4.570 0.001 0.000 0.279 358 c C 1.872 175.979 174.090 0.028 0.000 1.347 358 c CA 0.635 57.055 56.329 0.152 0.000 1.748 358 c CB -0.702 41.911 42.510 0.172 0.000 1.977 358 c HN 0.488 nan 8.230 nan 0.000 0.501 359 D N -0.101 120.292 120.400 -0.011 0.000 2.269 359 D HA -0.073 4.568 4.640 0.001 0.000 0.208 359 D C 2.356 178.585 176.300 -0.118 0.000 0.963 359 D CA 0.683 54.650 54.000 -0.054 0.000 0.864 359 D CB -0.393 40.386 40.800 -0.035 0.000 0.936 359 D HN 0.571 nan 8.370 nan 0.000 0.505 360 R N -0.616 119.777 120.500 -0.179 0.000 2.075 360 R HA -0.095 4.245 4.340 0.001 0.000 0.226 360 R C 2.091 178.067 176.300 -0.540 0.000 1.114 360 R CA 0.499 56.416 56.100 -0.304 0.000 0.972 360 R CB -0.195 29.939 30.300 -0.277 0.000 0.869 360 R HN 0.111 nan 8.270 nan 0.000 0.437 361 W N 1.571 122.268 121.300 -1.004 0.000 2.325 361 W HA -0.209 4.452 4.660 0.001 0.000 0.299 361 W C 2.226 178.414 176.519 -0.551 0.000 1.215 361 W CA 1.952 58.637 57.345 -1.099 0.000 1.244 361 W CB -0.729 28.310 29.460 -0.702 0.000 1.140 361 W HN 0.199 nan 8.180 nan 0.000 0.523 362 S N -1.259 114.316 115.700 -0.208 0.000 2.436 362 S HA -0.097 4.373 4.470 0.001 0.000 0.228 362 S C 1.811 176.321 174.600 -0.151 0.000 1.014 362 S CA 1.262 59.339 58.200 -0.205 0.000 0.950 362 S CB -0.536 62.571 63.200 -0.154 0.000 0.784 362 S HN -0.017 nan 8.310 nan 0.000 0.504 363 V N 1.037 120.859 119.914 -0.153 0.000 2.446 363 V HA 0.052 4.172 4.120 0.001 0.000 0.244 363 V C 2.472 178.512 176.094 -0.090 0.000 1.039 363 V CA 1.228 63.466 62.300 -0.105 0.000 1.045 363 V CB -0.380 31.387 31.823 -0.094 0.000 0.681 363 V HN 0.474 nan 8.190 nan 0.000 0.459 364 V N 1.046 120.869 119.914 -0.151 0.000 3.305 364 V HA -0.045 4.076 4.120 0.001 0.000 0.269 364 V C 1.965 178.100 176.094 0.068 0.000 1.157 364 V CA 1.621 63.871 62.300 -0.083 0.000 1.157 364 V CB 0.043 31.719 31.823 -0.245 0.000 0.772 364 V HN 0.731 nan 8.190 nan 0.000 0.498 365 S N -1.107 114.611 115.700 0.030 0.000 2.575 365 S HA 0.148 4.618 4.470 0.001 0.000 0.237 365 S C 0.680 175.319 174.600 0.065 0.000 0.975 365 S CA 0.119 58.408 58.200 0.149 0.000 0.960 365 S CB -0.541 62.725 63.200 0.111 0.000 0.822 365 S HN 0.588 nan 8.310 nan 0.000 0.472 366 N N 1.255 119.976 118.700 0.034 0.000 2.666 366 N HA -0.198 4.542 4.740 0.001 0.000 0.248 366 N C 0.888 176.392 175.510 -0.010 0.000 1.118 366 N CA 1.494 54.551 53.050 0.011 0.000 0.722 366 N CB -1.427 37.077 38.487 0.028 0.000 1.050 366 N HN 1.002 nan 8.380 nan 0.000 0.550 367 G N -2.030 106.749 108.800 -0.034 0.000 2.229 367 G HA2 -0.226 3.735 3.960 0.001 0.000 0.189 367 G HA3 -0.226 3.735 3.960 0.001 0.000 0.189 367 G C 0.479 175.338 174.900 -0.069 0.000 1.000 367 G CA 0.184 45.252 45.100 -0.053 0.000 0.663 367 G HN 0.377 nan 8.290 nan 0.000 0.493 368 D N -0.154 120.211 120.400 -0.058 0.000 2.315 368 D HA 0.034 4.675 4.640 0.001 0.000 0.211 368 D C 1.131 177.347 176.300 -0.141 0.000 0.977 368 D CA 1.758 55.719 54.000 -0.065 0.000 0.894 368 D CB 0.556 41.346 40.800 -0.017 0.000 0.910 368 D HN 0.629 nan 8.370 nan 0.000 0.490 369 V N -0.157 119.602 119.914 -0.259 0.000 2.735 369 V HA 0.417 4.538 4.120 0.001 0.000 0.310 369 V C -0.950 174.982 176.094 -0.270 0.000 1.061 369 V CA -0.579 61.494 62.300 -0.378 0.000 0.913 369 V CB 3.021 34.286 31.823 -0.930 0.000 1.005 369 V HN -0.250 nan 8.190 nan 0.000 0.428 370 E N 3.108 123.207 120.200 -0.168 0.000 2.423 370 E HA 0.697 5.048 4.350 0.001 0.000 0.269 370 E C -1.703 174.874 176.600 -0.039 0.000 0.948 370 E CA -0.294 56.048 56.400 -0.097 0.000 0.802 370 E CB 2.223 31.888 29.700 -0.058 0.000 1.339 370 E HN 0.899 nan 8.360 nan 0.000 0.445 371 c N 0.176 118.772 118.600 -0.008 0.000 2.626 371 c HA 0.687 5.258 4.570 0.001 0.000 0.310 371 c C -0.247 173.859 174.090 0.026 0.000 1.191 371 c CA -0.730 55.624 56.329 0.043 0.000 1.517 371 c CB 1.567 44.114 42.510 0.060 0.000 2.102 371 c HN 0.547 nan 8.230 nan 0.000 0.479 372 T N 1.725 116.300 114.554 0.034 0.000 2.797 372 T HA 0.553 4.903 4.350 0.001 0.000 0.279 372 T C -0.520 174.191 174.700 0.019 0.000 0.991 372 T CA -0.260 61.846 62.100 0.010 0.000 0.979 372 T CB 1.531 70.390 68.868 -0.015 0.000 0.943 372 T HN 0.646 nan 8.240 nan 0.000 0.444 373 V N 5.251 125.171 119.914 0.011 0.000 2.547 373 V HA 0.850 4.971 4.120 0.001 0.000 0.299 373 V C -0.251 175.836 176.094 -0.012 0.000 1.040 373 V CA -0.374 61.933 62.300 0.011 0.000 0.913 373 V CB 1.347 33.184 31.823 0.022 0.000 0.992 373 V HN 0.792 nan 8.190 nan 0.000 0.449 374 V N 3.161 123.060 119.914 -0.025 0.000 3.139 374 V HA 0.760 4.880 4.120 0.001 0.000 0.310 374 V C 0.023 176.072 176.094 -0.075 0.000 1.260 374 V CA -0.327 61.944 62.300 -0.049 0.000 1.064 374 V CB 1.817 33.605 31.823 -0.058 0.000 1.160 374 V HN 0.688 nan 8.190 nan 0.000 0.470 375 D N -1.247 119.092 120.400 -0.103 0.000 2.597 375 D HA 0.243 4.884 4.640 0.001 0.000 0.261 375 D C 0.429 176.617 176.300 -0.186 0.000 1.023 375 D CA 0.531 54.435 54.000 -0.160 0.000 0.927 375 D CB 0.654 41.369 40.800 -0.141 0.000 1.168 375 D HN 0.655 nan 8.370 nan 0.000 0.491 376 E N 0.196 120.314 120.200 -0.137 0.000 2.249 376 E HA 0.222 4.573 4.350 0.001 0.000 0.263 376 E C 0.657 177.199 176.600 -0.097 0.000 0.950 376 E CA -0.034 56.289 56.400 -0.128 0.000 0.827 376 E CB 1.991 31.630 29.700 -0.102 0.000 1.220 376 E HN 0.008 nan 8.360 nan 0.000 0.411 377 T N -1.782 112.727 114.554 -0.075 0.000 3.148 377 T HA -0.028 4.323 4.350 0.001 0.000 0.253 377 T C 1.239 175.906 174.700 -0.055 0.000 1.134 377 T CA 0.450 62.518 62.100 -0.052 0.000 1.051 377 T CB -0.078 68.782 68.868 -0.014 0.000 0.959 377 T HN 0.398 nan 8.240 nan 0.000 0.525 378 K N 0.831 121.196 120.400 -0.058 0.000 2.228 378 K HA 0.084 4.405 4.320 0.001 0.000 0.202 378 K C 1.325 177.886 176.600 -0.065 0.000 1.051 378 K CA 1.076 57.328 56.287 -0.057 0.000 0.960 378 K CB -0.096 32.372 32.500 -0.052 0.000 0.743 378 K HN 0.131 nan 8.250 nan 0.000 0.458 379 D N 0.868 121.226 120.400 -0.069 0.000 2.183 379 D HA -0.072 4.569 4.640 0.001 0.000 0.203 379 D C 1.496 177.749 176.300 -0.078 0.000 0.969 379 D CA 0.670 54.628 54.000 -0.070 0.000 0.842 379 D CB -0.405 40.354 40.800 -0.068 0.000 0.957 379 D HN 0.282 nan 8.370 nan 0.000 0.484 380 c N 0.296 118.846 118.600 -0.084 0.000 2.446 380 c HA -0.008 4.562 4.570 0.001 0.000 0.277 380 c C 2.759 176.779 174.090 -0.115 0.000 1.275 380 c CA -0.044 56.222 56.329 -0.105 0.000 1.727 380 c CB -0.837 41.604 42.510 -0.115 0.000 2.010 380 c HN 0.343 nan 8.230 nan 0.000 0.486 381 I N 0.636 121.145 120.570 -0.102 0.000 2.163 381 I HA -0.235 3.936 4.170 0.001 0.000 0.243 381 I C 2.274 178.329 176.117 -0.104 0.000 1.085 381 I CA 1.817 63.053 61.300 -0.106 0.000 1.347 381 I CB -0.370 37.578 38.000 -0.088 0.000 1.044 381 I HN 0.308 nan 8.210 nan 0.000 0.408 382 I N 0.388 120.906 120.570 -0.087 0.000 2.315 382 I HA -0.253 3.918 4.170 0.001 0.000 0.248 382 I C 2.470 178.535 176.117 -0.087 0.000 1.117 382 I CA 1.307 62.560 61.300 -0.078 0.000 1.404 382 I CB -0.250 37.712 38.000 -0.064 0.000 1.071 382 I HN 0.109 nan 8.210 nan 0.000 0.419 383 K N 0.545 120.890 120.400 -0.091 0.000 2.147 383 K HA -0.102 4.218 4.320 0.001 0.000 0.205 383 K C 1.995 178.524 176.600 -0.119 0.000 1.049 383 K CA 1.256 57.488 56.287 -0.092 0.000 0.936 383 K CB -0.016 32.431 32.500 -0.088 0.000 0.722 383 K HN 0.346 nan 8.250 nan 0.000 0.446 384 I N 0.269 120.751 120.570 -0.146 0.000 2.400 384 I HA -0.202 3.969 4.170 0.001 0.000 0.248 384 I C 2.269 178.254 176.117 -0.220 0.000 1.109 384 I CA 0.827 62.015 61.300 -0.186 0.000 1.425 384 I CB -0.118 37.764 38.000 -0.197 0.000 1.094 384 I HN 0.120 nan 8.210 nan 0.000 0.425 385 M N 0.520 120.012 119.600 -0.180 0.000 2.149 385 M HA -0.220 4.261 4.480 0.001 0.000 0.261 385 M C 1.856 178.046 176.300 -0.184 0.000 1.064 385 M CA 1.839 57.032 55.300 -0.180 0.000 1.102 385 M CB -0.270 32.268 32.600 -0.104 0.000 1.369 385 M HN 0.074 nan 8.290 nan 0.000 0.408 386 K N -0.263 120.070 120.400 -0.113 0.000 2.487 386 K HA 0.117 4.438 4.320 0.001 0.000 0.192 386 K C 0.952 177.575 176.600 0.038 0.000 1.027 386 K CA 0.570 56.850 56.287 -0.010 0.000 1.054 386 K CB 0.035 32.516 32.500 -0.032 0.000 0.824 386 K HN 0.552 nan 8.250 nan 0.000 0.510 387 G N 2.130 110.821 108.800 -0.182 0.000 2.160 387 G HA2 -0.284 3.676 3.960 0.001 0.000 0.251 387 G HA3 -0.284 3.676 3.960 0.001 0.000 0.251 387 G C 0.304 175.192 174.900 -0.020 0.000 1.008 387 G CA 0.357 45.373 45.100 -0.141 0.000 0.724 387 G HN 0.480 nan 8.290 nan 0.000 0.514 388 E N -0.453 119.721 120.200 -0.042 0.000 2.474 388 E HA 0.511 4.862 4.350 0.001 0.000 0.195 388 E C 0.998 177.568 176.600 -0.050 0.000 1.039 388 E CA 0.634 57.017 56.400 -0.028 0.000 0.881 388 E CB 0.533 30.217 29.700 -0.028 0.000 0.970 388 E HN 0.939 nan 8.360 nan 0.000 0.486 389 A N 0.253 123.023 122.820 -0.084 0.000 2.612 389 A HA 0.377 4.698 4.320 0.001 0.000 0.293 389 A C -0.926 176.574 177.584 -0.140 0.000 1.075 389 A CA -0.705 51.270 52.037 -0.104 0.000 0.680 389 A CB 1.318 20.243 19.000 -0.125 0.000 1.279 389 A HN -0.087 nan 8.150 nan 0.000 0.411 390 D N -0.387 119.919 120.400 -0.156 0.000 2.514 390 D HA 0.468 5.109 4.640 0.001 0.000 0.249 390 D C 0.642 176.793 176.300 -0.249 0.000 1.036 390 D CA 1.519 55.418 54.000 -0.168 0.000 0.911 390 D CB 1.037 41.774 40.800 -0.104 0.000 1.145 390 D HN 0.912 nan 8.370 nan 0.000 0.495 391 A N -0.043 122.530 122.820 -0.411 0.000 2.593 391 A HA 0.729 5.050 4.320 0.001 0.000 0.290 391 A C -1.579 175.354 177.584 -1.085 0.000 1.126 391 A CA -0.615 51.038 52.037 -0.640 0.000 0.695 391 A CB 2.143 20.754 19.000 -0.647 0.000 1.290 391 A HN -0.029 nan 8.150 nan 0.000 0.414 392 V N -1.078 118.250 119.914 -0.976 0.000 3.177 392 V HA 0.688 4.809 4.120 0.001 0.000 0.287 392 V C -1.103 174.791 176.094 -0.334 0.000 1.465 392 V CA 0.132 61.961 62.300 -0.784 0.000 1.020 392 V CB 1.987 33.565 31.823 -0.409 0.000 1.152 392 V HN 2.284 nan 8.190 nan 0.000 0.448 393 A N 5.864 128.659 122.820 -0.042 0.000 2.288 393 A HA 0.930 5.251 4.320 0.001 0.000 0.320 393 A C -1.092 176.537 177.584 0.075 0.000 1.217 393 A CA -0.469 51.626 52.037 0.097 0.000 0.840 393 A CB 0.811 19.932 19.000 0.202 0.000 1.179 393 A HN 0.894 nan 8.150 nan 0.000 0.504 394 L N 1.041 122.293 121.223 0.049 0.000 2.309 394 L HA 0.472 4.813 4.340 0.001 0.000 0.261 394 L C -0.371 176.425 176.870 -0.123 0.000 1.021 394 L CA -0.996 53.835 54.840 -0.015 0.000 0.823 394 L CB 2.181 44.221 42.059 -0.032 0.000 1.366 394 L HN 0.855 nan 8.230 nan 0.000 0.423 395 D N -0.136 120.082 120.400 -0.303 0.000 2.283 395 D HA 0.249 4.889 4.640 0.001 0.000 0.248 395 D C 1.240 177.479 176.300 -0.101 0.000 1.072 395 D CA 0.237 53.887 54.000 -0.583 0.000 0.929 395 D CB 1.921 42.423 40.800 -0.496 0.000 1.182 395 D HN 0.586 nan 8.370 nan 0.000 0.433 396 G N 1.935 110.743 108.800 0.014 0.000 2.545 396 G HA2 -0.293 3.668 3.960 0.001 0.000 0.222 396 G HA3 -0.293 3.668 3.960 0.001 0.000 0.222 396 G C 1.295 176.331 174.900 0.227 0.000 1.126 396 G CA 1.004 46.124 45.100 0.034 0.000 0.754 396 G HN 0.618 nan 8.290 nan 0.000 0.583 397 G N 0.538 109.494 108.800 0.261 0.000 2.404 397 G HA2 -0.059 3.901 3.960 0.001 0.000 0.214 397 G HA3 -0.059 3.901 3.960 0.001 0.000 0.214 397 G C 1.723 176.779 174.900 0.259 0.000 1.189 397 G CA 0.571 45.880 45.100 0.348 0.000 0.789 397 G HN 0.412 nan 8.290 nan 0.000 0.533 398 L N 0.600 121.910 121.223 0.145 0.000 2.465 398 L HA 0.029 4.370 4.340 0.001 0.000 0.224 398 L C 2.696 179.626 176.870 0.099 0.000 1.145 398 L CA -0.047 54.852 54.840 0.098 0.000 0.834 398 L CB 0.135 42.212 42.059 0.030 0.000 0.944 398 L HN 0.079 nan 8.230 nan 0.000 0.451 399 V N -1.480 118.525 119.914 0.152 0.000 2.591 399 V HA -0.287 3.834 4.120 0.001 0.000 0.249 399 V C 2.061 178.268 176.094 0.189 0.000 1.053 399 V CA 1.314 63.699 62.300 0.141 0.000 1.068 399 V CB -0.559 31.384 31.823 0.200 0.000 0.689 399 V HN 0.448 nan 8.190 nan 0.000 0.462 400 Y N 1.801 122.230 120.300 0.214 0.000 2.097 400 Y HA -0.308 4.243 4.550 0.002 0.000 0.282 400 Y C 2.653 178.517 175.900 -0.060 0.000 1.152 400 Y CA 2.491 60.723 58.100 0.220 0.000 1.136 400 Y CB -0.616 38.005 38.460 0.267 0.000 0.975 400 Y HN 0.236 nan 8.280 nan 0.000 0.498 401 T N 0.553 115.147 114.554 0.068 0.000 2.746 401 T HA -0.188 4.163 4.350 0.001 0.000 0.267 401 T C 2.072 176.650 174.700 -0.202 0.000 1.039 401 T CA 1.449 63.510 62.100 -0.065 0.000 1.142 401 T CB -0.750 68.150 68.868 0.052 0.000 0.866 401 T HN 0.500 nan 8.240 nan 0.000 0.444 402 A N 1.305 124.021 122.820 -0.173 0.000 1.930 402 A HA 0.209 4.529 4.320 0.001 0.000 0.217 402 A C 2.628 180.026 177.584 -0.311 0.000 1.175 402 A CA 1.635 53.556 52.037 -0.192 0.000 0.627 402 A CB -1.274 17.645 19.000 -0.136 0.000 0.815 402 A HN 0.500 nan 8.150 nan 0.000 0.443 403 G N -0.433 108.060 108.800 -0.510 0.000 2.440 403 G HA2 -0.141 3.819 3.960 0.001 0.000 0.218 403 G HA3 -0.141 3.819 3.960 0.001 0.000 0.218 403 G C 1.470 175.756 174.900 -1.024 0.000 1.154 403 G CA 1.247 45.773 45.100 -0.957 0.000 0.767 403 G HN 0.311 nan 8.290 nan 0.000 0.552 404 V N 0.482 119.851 119.914 -0.908 0.000 2.490 404 V HA -0.160 3.960 4.120 0.001 0.000 0.250 404 V C 2.547 178.486 176.094 -0.259 0.000 1.061 404 V CA 1.500 63.507 62.300 -0.488 0.000 1.064 404 V CB -0.314 31.274 31.823 -0.392 0.000 0.670 404 V HN 0.499 nan 8.190 nan 0.000 0.461 405 c N 0.661 119.120 118.600 -0.235 0.000 2.613 405 c HA 0.506 5.077 4.570 0.001 0.000 0.273 405 c C 1.810 175.828 174.090 -0.120 0.000 1.304 405 c CA 0.066 56.313 56.329 -0.137 0.000 1.702 405 c CB -1.187 41.253 42.510 -0.117 0.000 1.792 405 c HN 0.808 nan 8.230 nan 0.000 0.588 406 G N 0.863 109.578 108.800 -0.142 0.000 2.142 406 G HA2 -0.191 3.769 3.960 0.001 0.000 0.225 406 G HA3 -0.191 3.769 3.960 0.001 0.000 0.225 406 G C -0.183 174.659 174.900 -0.096 0.000 1.015 406 G CA -0.219 44.825 45.100 -0.093 0.000 0.716 406 G HN 0.524 nan 8.290 nan 0.000 0.508 407 L N -0.278 120.870 121.223 -0.126 0.000 2.352 407 L HA 0.846 5.186 4.340 0.001 0.000 0.269 407 L C 0.750 177.568 176.870 -0.086 0.000 1.034 407 L CA -1.401 53.369 54.840 -0.116 0.000 0.806 407 L CB 1.797 43.773 42.059 -0.139 0.000 1.244 407 L HN 0.254 nan 8.230 nan 0.000 0.447 408 V N -1.085 118.783 119.914 -0.077 0.000 2.656 408 V HA 0.522 4.643 4.120 0.001 0.000 0.307 408 V C -2.607 173.425 176.094 -0.104 0.000 1.051 408 V CA -2.325 59.943 62.300 -0.052 0.000 0.893 408 V CB 1.563 33.372 31.823 -0.023 0.000 0.999 408 V HN 0.557 nan 8.190 nan 0.000 0.426 409 P HA 0.147 nan 4.420 nan 0.000 0.269 409 P C 0.296 177.465 177.300 -0.218 0.000 1.263 409 P CA 0.371 63.274 63.100 -0.328 0.000 0.813 409 P CB 1.821 33.077 31.700 -0.740 0.000 0.868 410 V N 4.254 124.076 119.914 -0.153 0.000 2.795 410 V HA 0.174 4.295 4.120 0.001 0.000 0.243 410 V C 1.006 177.067 176.094 -0.055 0.000 1.069 410 V CA 1.287 63.546 62.300 -0.068 0.000 1.089 410 V CB 0.030 31.832 31.823 -0.035 0.000 0.756 410 V HN 0.420 nan 8.190 nan 0.000 0.471 411 M N -0.714 118.837 119.600 -0.081 0.000 2.572 411 M HA 0.697 5.178 4.480 0.001 0.000 0.299 411 M C -0.864 175.287 176.300 -0.248 0.000 1.205 411 M CA -0.280 54.948 55.300 -0.120 0.000 0.876 411 M CB 2.344 34.951 32.600 0.012 0.000 1.728 411 M HN 0.152 nan 8.290 nan 0.000 0.458 412 A N 1.293 123.774 122.820 -0.565 0.000 2.430 412 A HA 0.705 5.025 4.320 0.001 0.000 0.300 412 A C -1.258 176.003 177.584 -0.538 0.000 1.124 412 A CA -0.715 51.025 52.037 -0.495 0.000 0.766 412 A CB 1.347 20.127 19.000 -0.367 0.000 1.328 412 A HN 0.795 nan 8.150 nan 0.000 0.424 413 E N 0.372 120.435 120.200 -0.228 0.000 2.229 413 E HA 0.343 4.694 4.350 0.001 0.000 0.283 413 E C -0.351 175.982 176.600 -0.446 0.000 1.030 413 E CA -0.256 55.943 56.400 -0.335 0.000 0.836 413 E CB 1.081 30.614 29.700 -0.279 0.000 1.068 413 E HN 0.447 nan 8.360 nan 0.000 0.401 414 R N 3.072 123.408 120.500 -0.274 0.000 2.229 414 R HA 0.149 4.489 4.340 0.001 0.000 0.332 414 R C -0.679 175.465 176.300 -0.259 0.000 0.989 414 R CA -0.190 55.816 56.100 -0.158 0.000 0.842 414 R CB 0.360 30.727 30.300 0.111 0.000 1.119 414 R HN 0.522 nan 8.270 nan 0.000 0.456 415 Y N 2.626 122.937 120.300 0.017 0.000 2.532 415 Y HA 0.134 4.685 4.550 0.002 0.000 0.283 415 Y C 0.233 176.129 175.900 -0.006 0.000 1.181 415 Y CA -0.465 57.615 58.100 -0.034 0.000 1.256 415 Y CB 0.096 38.541 38.460 -0.024 0.000 1.112 415 Y HN 0.734 nan 8.280 nan 0.000 0.521 416 D N -2.164 118.298 120.400 0.103 0.000 3.161 416 D HA 0.070 4.711 4.640 0.001 0.000 0.287 416 D C 0.110 176.436 176.300 0.043 0.000 1.343 416 D CA 0.168 54.219 54.000 0.084 0.000 1.070 416 D CB 0.375 41.222 40.800 0.078 0.000 1.188 416 D HN -0.023 nan 8.370 nan 0.000 0.409 417 D N -0.821 119.592 120.400 0.020 0.000 2.645 417 D HA 0.060 4.700 4.640 0.001 0.000 0.228 417 D C 0.266 176.566 176.300 0.001 0.000 1.148 417 D CA -0.385 53.621 54.000 0.010 0.000 0.860 417 D CB 2.411 43.217 40.800 0.010 0.000 1.548 417 D HN -0.078 nan 8.370 nan 0.000 0.460 418 E N 0.753 120.954 120.200 0.002 0.000 2.077 418 E HA -0.148 4.203 4.350 0.001 0.000 0.193 418 E C 1.473 178.078 176.600 0.009 0.000 0.989 418 E CA 1.256 57.658 56.400 0.004 0.000 0.800 418 E CB 0.088 29.794 29.700 0.009 0.000 0.746 418 E HN 0.465 nan 8.360 nan 0.000 0.452 419 S N -0.135 115.569 115.700 0.006 0.000 2.561 419 S HA 0.021 4.492 4.470 0.001 0.000 0.225 419 S C 1.653 176.253 174.600 0.001 0.000 0.977 419 S CA 0.116 58.320 58.200 0.006 0.000 0.926 419 S CB 0.143 63.345 63.200 0.003 0.000 0.769 419 S HN 0.126 nan 8.310 nan 0.000 0.533 420 Q N 0.126 119.923 119.800 -0.006 0.000 2.482 420 Q HA 0.127 4.468 4.340 0.001 0.000 0.209 420 Q C 0.489 176.466 176.000 -0.037 0.000 0.961 420 Q CA 0.273 56.060 55.803 -0.025 0.000 0.945 420 Q CB -0.345 28.371 28.738 -0.036 0.000 1.012 420 Q HN 0.626 nan 8.270 nan 0.000 0.515 421 c N 1.015 119.619 118.600 0.006 0.000 2.377 421 c HA 0.218 4.789 4.570 0.001 0.000 0.341 421 c C 0.532 174.650 174.090 0.047 0.000 1.304 421 c CA -0.121 56.238 56.329 0.050 0.000 1.690 421 c CB -1.077 41.511 42.510 0.129 0.000 1.808 421 c HN 0.065 nan 8.230 nan 0.000 0.592 422 S N 1.756 117.462 115.700 0.009 0.000 2.496 422 S HA 0.314 4.785 4.470 0.001 0.000 0.221 422 S C -0.588 174.005 174.600 -0.011 0.000 1.260 422 S CA -0.596 57.611 58.200 0.012 0.000 1.181 422 S CB 0.168 63.377 63.200 0.016 0.000 1.136 422 S HN 0.734 nan 8.310 nan 0.000 0.467 423 K N 0.208 120.597 120.400 -0.019 0.000 2.637 423 K HA 0.608 4.929 4.320 0.001 0.000 0.248 423 K C -0.409 176.171 176.600 -0.033 0.000 0.971 423 K CA -0.811 55.451 56.287 -0.041 0.000 0.858 423 K CB 1.371 33.818 32.500 -0.089 0.000 1.170 423 K HN 0.151 nan 8.250 nan 0.000 0.443 424 T N 0.740 115.279 114.554 -0.025 0.000 3.138 424 T HA -0.003 4.348 4.350 0.001 0.000 0.245 424 T C 0.304 174.989 174.700 -0.024 0.000 0.982 424 T CA 0.579 62.668 62.100 -0.018 0.000 1.134 424 T CB -0.084 68.778 68.868 -0.009 0.000 1.032 424 T HN 0.601 nan 8.240 nan 0.000 0.442 425 D N 1.721 122.106 120.400 -0.024 0.000 2.346 425 D HA 0.247 4.888 4.640 0.001 0.000 0.248 425 D C 0.298 176.579 176.300 -0.032 0.000 1.173 425 D CA 0.410 54.395 54.000 -0.024 0.000 0.878 425 D CB 0.320 41.109 40.800 -0.018 0.000 0.919 425 D HN 0.365 nan 8.370 nan 0.000 0.513 426 E N -1.041 119.132 120.200 -0.045 0.000 2.381 426 E HA 0.118 4.469 4.350 0.001 0.000 0.281 426 E C -0.287 176.262 176.600 -0.085 0.000 1.151 426 E CA -0.571 55.793 56.400 -0.059 0.000 0.904 426 E CB 0.974 30.635 29.700 -0.064 0.000 1.234 426 E HN -0.135 nan 8.360 nan 0.000 0.427 427 R N 0.682 121.126 120.500 -0.094 0.000 1.756 427 R HA 0.404 4.745 4.340 0.001 0.000 0.130 427 R C -1.744 174.450 176.300 -0.177 0.000 2.102 427 R CA -0.314 55.708 56.100 -0.129 0.000 1.775 427 R CB -1.010 29.235 30.300 -0.092 0.000 1.379 427 R HN 0.397 nan 8.270 nan 0.000 0.484 428 P HA 0.324 nan 4.420 nan 0.000 0.279 428 P C -1.511 175.677 177.300 -0.186 0.000 1.276 428 P CA -0.263 62.732 63.100 -0.175 0.000 0.801 428 P CB 1.035 32.663 31.700 -0.121 0.000 1.127 429 A N -0.269 122.453 122.820 -0.164 0.000 2.456 429 A HA 0.599 4.920 4.320 0.001 0.000 0.288 429 A C -0.620 176.946 177.584 -0.031 0.000 1.042 429 A CA -0.342 51.641 52.037 -0.090 0.000 0.738 429 A CB 0.816 19.760 19.000 -0.093 0.000 1.266 429 A HN 0.637 nan 8.150 nan 0.000 0.407 430 S N 1.473 117.167 115.700 -0.010 0.000 2.596 430 S HA 0.878 5.349 4.470 0.001 0.000 0.270 430 S C -0.953 173.702 174.600 0.092 0.000 1.155 430 S CA -0.381 57.799 58.200 -0.032 0.000 0.827 430 S CB 1.119 64.176 63.200 -0.238 0.000 1.130 430 S HN 1.696 nan 8.310 nan 0.000 0.467 431 Y N -0.001 120.264 120.300 -0.059 0.000 2.753 431 Y HA 0.918 5.469 4.550 0.001 0.000 0.324 431 Y C -1.419 174.313 175.900 -0.280 0.000 1.147 431 Y CA -1.532 56.550 58.100 -0.030 0.000 1.173 431 Y CB 0.504 39.044 38.460 0.132 0.000 1.361 431 Y HN 0.517 nan 8.280 nan 0.000 0.545 432 F N 0.600 120.691 119.950 0.235 0.000 2.546 432 F HA 0.789 5.317 4.527 0.002 0.000 0.320 432 F C -0.049 175.864 175.800 0.188 0.000 1.076 432 F CA -1.095 56.957 58.000 0.088 0.000 0.928 432 F CB 2.154 41.160 39.000 0.009 0.000 1.189 432 F HN 0.792 nan 8.300 nan 0.000 0.465 433 A N 2.100 125.098 122.820 0.296 0.000 2.301 433 A HA 0.847 5.167 4.320 0.001 0.000 0.312 433 A C -1.101 176.644 177.584 0.269 0.000 1.182 433 A CA -0.602 51.600 52.037 0.275 0.000 0.826 433 A CB 1.122 20.244 19.000 0.204 0.000 1.134 433 A HN 0.613 nan 8.150 nan 0.000 0.501 434 V N 0.641 120.719 119.914 0.273 0.000 3.012 434 V HA 0.684 4.804 4.120 0.001 0.000 0.307 434 V C -0.200 176.034 176.094 0.233 0.000 1.166 434 V CA -0.190 62.244 62.300 0.223 0.000 0.974 434 V CB 2.267 34.196 31.823 0.176 0.000 1.040 434 V HN 1.362 nan 8.190 nan 0.000 0.428 435 A N 3.913 126.846 122.820 0.189 0.000 2.273 435 A HA 0.793 5.114 4.320 0.001 0.000 0.320 435 A C -0.836 176.743 177.584 -0.009 0.000 1.358 435 A CA -0.379 51.719 52.037 0.102 0.000 0.910 435 A CB 0.716 19.915 19.000 0.333 0.000 1.159 435 A HN 0.714 nan 8.150 nan 0.000 0.526 436 V N 1.508 121.341 119.914 -0.135 0.000 2.547 436 V HA 0.856 4.976 4.120 0.001 0.000 0.299 436 V C 0.448 176.488 176.094 -0.090 0.000 1.040 436 V CA -0.082 62.163 62.300 -0.091 0.000 0.913 436 V CB 1.307 33.037 31.823 -0.155 0.000 0.992 436 V HN 1.213 nan 8.190 nan 0.000 0.449 437 A N 4.294 127.130 122.820 0.027 0.000 2.556 437 A HA 0.812 5.132 4.320 0.001 0.000 0.294 437 A C -0.450 177.241 177.584 0.177 0.000 1.091 437 A CA -1.044 51.031 52.037 0.062 0.000 0.704 437 A CB 1.631 20.654 19.000 0.038 0.000 1.300 437 A HN 0.872 nan 8.150 nan 0.000 0.406 438 R N 0.540 121.130 120.500 0.150 0.000 2.438 438 R HA 0.228 4.569 4.340 0.001 0.000 0.287 438 R C 0.183 176.501 176.300 0.029 0.000 1.077 438 R CA -0.091 56.068 56.100 0.099 0.000 1.034 438 R CB 0.471 30.796 30.300 0.042 0.000 0.993 438 R HN 0.725 nan 8.270 nan 0.000 0.459 439 K N 1.691 122.082 120.400 -0.015 0.000 2.360 439 K HA -0.205 4.116 4.320 0.001 0.000 0.201 439 K C 0.951 177.546 176.600 -0.009 0.000 1.046 439 K CA 1.981 58.264 56.287 -0.007 0.000 0.940 439 K CB -0.263 32.221 32.500 -0.026 0.000 0.748 439 K HN 0.769 nan 8.250 nan 0.000 0.465 440 D N 0.280 120.668 120.400 -0.020 0.000 2.149 440 D HA -0.076 4.564 4.640 0.001 0.000 0.201 440 D C 0.298 176.599 176.300 0.001 0.000 0.972 440 D CA 0.372 54.364 54.000 -0.013 0.000 0.835 440 D CB -0.320 40.468 40.800 -0.021 0.000 0.966 440 D HN 0.098 nan 8.370 nan 0.000 0.476 441 S N 0.488 116.193 115.700 0.008 0.000 2.569 441 S HA -0.051 4.420 4.470 0.001 0.000 0.274 441 S C 0.900 175.513 174.600 0.022 0.000 1.353 441 S CA -0.293 57.916 58.200 0.016 0.000 1.023 441 S CB 0.956 64.169 63.200 0.022 0.000 0.876 441 S HN 0.295 nan 8.310 nan 0.000 0.540 442 N N 0.451 119.164 118.700 0.022 0.000 2.392 442 N HA 0.024 4.765 4.740 0.001 0.000 0.177 442 N C 0.358 175.889 175.510 0.035 0.000 1.066 442 N CA -0.088 52.977 53.050 0.025 0.000 0.895 442 N CB 0.306 38.805 38.487 0.020 0.000 0.988 442 N HN 0.373 nan 8.380 nan 0.000 0.457 443 V N 2.137 122.074 119.914 0.038 0.000 2.673 443 V HA 0.029 4.150 4.120 0.001 0.000 0.303 443 V C -0.316 175.822 176.094 0.074 0.000 1.046 443 V CA 0.255 62.586 62.300 0.051 0.000 1.126 443 V CB 0.445 32.295 31.823 0.045 0.000 0.934 443 V HN 0.505 nan 8.190 nan 0.000 0.487 444 N N 4.113 122.871 118.700 0.095 0.000 3.102 444 N HA 0.298 5.039 4.740 0.001 0.000 0.299 444 N C 0.637 176.271 175.510 0.207 0.000 1.482 444 N CA -0.614 52.525 53.050 0.147 0.000 0.785 444 N CB 0.394 38.961 38.487 0.132 0.000 1.680 444 N HN 0.608 nan 8.380 nan 0.000 0.594 445 W N 0.394 121.750 121.300 0.092 0.000 2.335 445 W HA -0.103 4.558 4.660 0.001 0.000 0.311 445 W C 0.424 177.020 176.519 0.128 0.000 1.213 445 W CA 1.524 58.941 57.345 0.121 0.000 1.274 445 W CB -0.191 29.332 29.460 0.104 0.000 1.148 445 W HN 0.535 nan 8.180 nan 0.000 0.498 446 N N 0.421 119.185 118.700 0.106 0.000 2.416 446 N HA -0.145 4.595 4.740 0.001 0.000 0.177 446 N C 1.211 176.708 175.510 -0.021 0.000 1.036 446 N CA 0.659 53.710 53.050 0.002 0.000 0.901 446 N CB -0.706 37.839 38.487 0.097 0.000 0.976 446 N HN 0.177 nan 8.380 nan 0.000 0.444 447 N N 1.285 119.993 118.700 0.013 0.000 2.512 447 N HA -0.014 4.726 4.740 0.001 0.000 0.183 447 N C 1.482 176.986 175.510 -0.011 0.000 1.073 447 N CA 0.029 53.082 53.050 0.005 0.000 0.911 447 N CB -0.093 38.414 38.487 0.033 0.000 0.964 447 N HN 0.070 nan 8.380 nan 0.000 0.447 448 L N 0.899 122.107 121.223 -0.024 0.000 2.270 448 L HA -0.125 4.216 4.340 0.001 0.000 0.217 448 L C 1.335 178.229 176.870 0.041 0.000 1.107 448 L CA 1.287 56.154 54.840 0.046 0.000 0.772 448 L CB -0.452 41.585 42.059 -0.037 0.000 0.902 448 L HN 0.066 nan 8.230 nan 0.000 0.439 449 K N -0.308 119.966 120.400 -0.209 0.000 2.276 449 K HA 0.126 4.447 4.320 0.001 0.000 0.259 449 K C 1.131 177.554 176.600 -0.294 0.000 1.001 449 K CA 0.688 56.612 56.287 -0.604 0.000 0.927 449 K CB 0.350 32.465 32.500 -0.642 0.000 0.969 449 K HN 0.250 nan 8.250 nan 0.000 0.490 450 G N 2.259 110.867 108.800 -0.319 0.000 2.200 450 G HA2 -0.257 3.704 3.960 0.001 0.000 0.267 450 G HA3 -0.257 3.704 3.960 0.001 0.000 0.267 450 G C 0.190 175.137 174.900 0.079 0.000 0.993 450 G CA 0.886 45.936 45.100 -0.083 0.000 0.701 450 G HN 0.517 nan 8.290 nan 0.000 0.524 451 K N -0.503 120.032 120.400 0.225 0.000 2.632 451 K HA 0.599 4.920 4.320 0.001 0.000 0.267 451 K C 0.628 177.351 176.600 0.205 0.000 1.028 451 K CA -0.549 55.862 56.287 0.206 0.000 1.045 451 K CB 0.370 32.974 32.500 0.174 0.000 1.400 451 K HN 0.075 nan 8.250 nan 0.000 0.522 452 K N 1.091 121.510 120.400 0.032 0.000 2.138 452 K HA 0.374 4.695 4.320 0.001 0.000 0.263 452 K C -0.210 176.224 176.600 -0.277 0.000 0.965 452 K CA -0.452 55.788 56.287 -0.078 0.000 0.868 452 K CB 1.512 33.978 32.500 -0.057 0.000 1.083 452 K HN 0.746 nan 8.250 nan 0.000 0.443 453 S N -0.169 115.264 115.700 -0.445 0.000 2.548 453 S HA 0.576 5.047 4.470 0.001 0.000 0.286 453 S C -0.584 173.753 174.600 -0.438 0.000 1.098 453 S CA -0.856 56.998 58.200 -0.578 0.000 0.930 453 S CB 1.058 63.632 63.200 -1.043 0.000 1.070 453 S HN 0.565 nan 8.310 nan 0.000 0.480 454 c N 3.275 121.593 118.600 -0.469 0.000 2.369 454 c HA 0.679 5.250 4.570 0.001 0.000 0.322 454 c C -0.463 173.429 174.090 -0.331 0.000 1.258 454 c CA -0.557 55.567 56.329 -0.342 0.000 1.487 454 c CB -0.145 42.168 42.510 -0.328 0.000 2.165 454 c HN 0.885 nan 8.230 nan 0.000 0.483 455 H N 1.409 120.543 119.070 0.107 0.000 2.495 455 H HA 0.251 4.808 4.556 0.001 0.000 0.348 455 H C 1.112 176.463 175.328 0.039 0.000 1.113 455 H CA 0.050 56.209 56.048 0.186 0.000 1.195 455 H CB 1.990 31.945 29.762 0.323 0.000 1.521 455 H HN 0.769 nan 8.280 nan 0.000 0.509 456 T N 0.544 115.143 114.554 0.076 0.000 2.720 456 T HA 0.074 4.425 4.350 0.001 0.000 0.268 456 T C 0.794 175.296 174.700 -0.330 0.000 1.037 456 T CA 0.922 62.885 62.100 -0.228 0.000 1.144 456 T CB 0.161 68.816 68.868 -0.354 0.000 0.864 456 T HN 0.743 nan 8.240 nan 0.000 0.444 457 A N -0.384 122.370 122.820 -0.110 0.000 2.586 457 A HA 0.524 4.845 4.320 0.001 0.000 0.298 457 A C -0.644 176.819 177.584 -0.201 0.000 1.013 457 A CA -0.355 51.635 52.037 -0.078 0.000 0.707 457 A CB 0.698 19.700 19.000 0.004 0.000 1.276 457 A HN 0.985 nan 8.150 nan 0.000 0.414 458 V N 2.375 122.000 119.914 -0.482 0.000 2.540 458 V HA 0.513 4.634 4.120 0.001 0.000 0.297 458 V C 1.195 176.877 176.094 -0.687 0.000 1.024 458 V CA 2.465 64.045 62.300 -1.200 0.000 1.105 458 V CB 0.453 31.503 31.823 -1.288 0.000 0.938 458 V HN 2.873 nan 8.190 nan 0.000 0.482 459 G N 5.684 114.090 108.800 -0.657 0.000 2.352 459 G HA2 -0.180 3.781 3.960 0.001 0.000 0.204 459 G HA3 -0.180 3.781 3.960 0.001 0.000 0.204 459 G C 0.411 175.331 174.900 0.034 0.000 1.004 459 G CA 0.073 45.069 45.100 -0.174 0.000 0.648 459 G HN 0.800 nan 8.290 nan 0.000 0.491 460 R N 1.218 121.746 120.500 0.046 0.000 2.582 460 R HA 0.543 4.883 4.340 0.001 0.000 0.271 460 R C 1.701 178.133 176.300 0.221 0.000 1.078 460 R CA 0.252 56.417 56.100 0.109 0.000 1.127 460 R CB 0.505 30.818 30.300 0.022 0.000 1.038 460 R HN 0.237 nan 8.270 nan 0.000 0.500 461 T N 1.698 116.402 114.554 0.251 0.000 2.371 461 T HA -0.291 4.060 4.350 0.001 0.000 0.235 461 T C 1.884 176.759 174.700 0.293 0.000 1.379 461 T CA 1.660 63.942 62.100 0.304 0.000 1.284 461 T CB -0.490 68.506 68.868 0.214 0.000 0.867 461 T HN 0.762 nan 8.240 nan 0.000 0.390 462 A N 1.212 124.240 122.820 0.347 0.000 1.986 462 A HA 0.050 4.371 4.320 0.001 0.000 0.220 462 A C 2.384 180.178 177.584 0.350 0.000 1.171 462 A CA 1.945 54.200 52.037 0.363 0.000 0.640 462 A CB -1.253 18.053 19.000 0.510 0.000 0.811 462 A HN 0.659 nan 8.150 nan 0.000 0.451 463 G N -4.125 104.869 108.800 0.324 0.000 3.189 463 G HA2 0.232 4.193 3.960 0.001 0.000 0.225 463 G HA3 0.232 4.193 3.960 0.001 0.000 0.225 463 G C 0.766 175.934 174.900 0.446 0.000 1.159 463 G CA 0.644 45.969 45.100 0.376 0.000 0.763 463 G HN 0.636 nan 8.290 nan 0.000 0.549 464 W N -1.167 120.151 121.300 0.030 0.000 5.075 464 W HA -0.016 4.645 4.660 0.001 0.000 0.157 464 W C 1.230 177.640 176.519 -0.180 0.000 1.039 464 W CA 0.273 57.533 57.345 -0.142 0.000 1.759 464 W CB -0.149 29.220 29.460 -0.152 0.000 0.514 464 W HN -0.091 nan 8.180 nan 0.000 1.081 465 V N 2.646 122.644 119.914 0.139 0.000 2.261 465 V HA -0.315 3.805 4.120 0.001 0.000 0.246 465 V C 2.240 178.265 176.094 -0.115 0.000 1.047 465 V CA 2.065 64.364 62.300 -0.002 0.000 1.015 465 V CB -0.848 31.053 31.823 0.129 0.000 0.642 465 V HN 0.058 nan 8.190 nan 0.000 0.446 466 I N 0.573 121.141 120.570 -0.003 0.000 2.110 466 I HA -0.089 4.082 4.170 0.001 0.000 0.236 466 I C 0.318 176.362 176.117 -0.121 0.000 1.068 466 I CA 1.791 63.082 61.300 -0.015 0.000 1.333 466 I CB -2.839 35.215 38.000 0.090 0.000 1.054 466 I HN 0.324 nan 8.210 nan 0.000 0.402 467 P HA -0.179 nan 4.420 nan 0.000 0.215 467 P C 1.820 178.802 177.300 -0.530 0.000 1.157 467 P CA 1.695 64.575 63.100 -0.368 0.000 0.874 467 P CB -0.177 30.992 31.700 -0.884 0.000 0.790 468 M N -0.997 118.091 119.600 -0.855 0.000 2.394 468 M HA 0.033 4.514 4.480 0.001 0.000 0.264 468 M C 2.269 178.107 176.300 -0.771 0.000 1.073 468 M CA 1.445 55.988 55.300 -1.261 0.000 1.111 468 M CB -1.931 29.417 32.600 -2.087 0.000 1.401 468 M HN 0.003 nan 8.290 nan 0.000 0.448 469 G N -0.704 107.836 108.800 -0.433 0.000 2.623 469 G HA2 0.043 4.003 3.960 0.001 0.000 0.214 469 G HA3 0.043 4.003 3.960 0.001 0.000 0.214 469 G C 1.653 176.526 174.900 -0.046 0.000 1.138 469 G CA 0.049 45.042 45.100 -0.178 0.000 0.794 469 G HN 0.366 nan 8.290 nan 0.000 0.535 470 L N -0.566 120.623 121.223 -0.057 0.000 2.316 470 L HA 0.269 4.610 4.340 0.001 0.000 0.207 470 L C 2.389 179.275 176.870 0.026 0.000 1.070 470 L CA 0.032 54.911 54.840 0.064 0.000 0.820 470 L CB 0.035 42.233 42.059 0.232 0.000 0.992 470 L HN 0.071 nan 8.230 nan 0.000 0.466 471 I N -0.516 119.974 120.570 -0.133 0.000 2.493 471 I HA -0.270 3.901 4.170 0.001 0.000 0.254 471 I C 2.360 178.453 176.117 -0.040 0.000 1.160 471 I CA 1.264 62.398 61.300 -0.277 0.000 1.445 471 I CB -0.321 37.310 38.000 -0.614 0.000 1.086 471 I HN 0.229 nan 8.210 nan 0.000 0.433 472 H N -0.356 118.728 119.070 0.023 0.000 2.502 472 H HA -0.014 4.542 4.556 0.001 0.000 0.283 472 H C 1.950 177.283 175.328 0.009 0.000 1.015 472 H CA 1.271 57.388 56.048 0.115 0.000 1.298 472 H CB 0.048 29.933 29.762 0.205 0.000 1.411 472 H HN 0.298 nan 8.280 nan 0.000 0.556 473 N N 0.073 118.765 118.700 -0.013 0.000 2.048 473 N HA -0.154 4.587 4.740 0.001 0.000 0.193 473 N C 2.205 177.669 175.510 -0.076 0.000 1.061 473 N CA 1.488 54.499 53.050 -0.065 0.000 0.849 473 N CB -0.130 38.360 38.487 0.006 0.000 1.044 473 N HN 0.209 nan 8.380 nan 0.000 0.429 474 R N -0.165 120.321 120.500 -0.024 0.000 2.113 474 R HA -0.142 4.199 4.340 0.001 0.000 0.231 474 R C 1.749 178.022 176.300 -0.045 0.000 1.129 474 R CA 2.292 58.382 56.100 -0.016 0.000 0.915 474 R CB -1.183 29.126 30.300 0.015 0.000 0.837 474 R HN 0.265 nan 8.270 nan 0.000 0.430 475 T N -0.477 114.043 114.554 -0.056 0.000 2.849 475 T HA -0.064 4.287 4.350 0.001 0.000 0.270 475 T C 1.110 175.751 174.700 -0.098 0.000 1.066 475 T CA 1.515 63.583 62.100 -0.054 0.000 1.130 475 T CB -0.611 68.211 68.868 -0.077 0.000 0.864 475 T HN 0.743 nan 8.240 nan 0.000 0.481 476 G N 1.521 110.218 108.800 -0.173 0.000 2.187 476 G HA2 -0.263 3.697 3.960 0.001 0.000 0.261 476 G HA3 -0.263 3.697 3.960 0.001 0.000 0.261 476 G C 0.244 175.041 174.900 -0.173 0.000 1.000 476 G CA 0.770 45.731 45.100 -0.231 0.000 0.718 476 G HN 0.588 nan 8.290 nan 0.000 0.519 477 T N -1.294 113.174 114.554 -0.144 0.000 2.916 477 T HA 0.502 4.853 4.350 0.001 0.000 0.292 477 T C 0.035 174.548 174.700 -0.311 0.000 1.055 477 T CA -0.118 61.880 62.100 -0.170 0.000 1.009 477 T CB 2.263 71.011 68.868 -0.200 0.000 1.118 477 T HN 0.319 nan 8.240 nan 0.000 0.497 478 c N 3.228 121.619 118.600 -0.347 0.000 2.987 478 c HA 0.553 5.124 4.570 0.001 0.000 0.262 478 c C 0.599 174.415 174.090 -0.457 0.000 1.531 478 c CA -0.849 55.167 56.329 -0.521 0.000 1.571 478 c CB -2.001 40.407 42.510 -0.169 0.000 2.381 478 c HN 0.794 nan 8.230 nan 0.000 0.519 479 N N 0.243 118.529 118.700 -0.690 0.000 2.751 479 N HA 0.280 5.021 4.740 0.001 0.000 0.238 479 N C -0.109 175.164 175.510 -0.395 0.000 1.351 479 N CA -0.396 52.443 53.050 -0.352 0.000 0.751 479 N CB 0.172 38.556 38.487 -0.173 0.000 1.342 479 N HN 0.240 nan 8.380 nan 0.000 0.540 480 F N -0.338 119.611 119.950 -0.001 0.000 2.743 480 F HA 0.125 4.653 4.527 0.001 0.000 0.297 480 F C 2.026 177.876 175.800 0.084 0.000 1.131 480 F CA 0.004 57.971 58.000 -0.056 0.000 1.426 480 F CB 0.109 39.003 39.000 -0.176 0.000 1.116 480 F HN 0.393 nan 8.300 nan 0.000 0.583 481 D N 0.681 121.230 120.400 0.248 0.000 2.264 481 D HA -0.162 4.479 4.640 0.001 0.000 0.208 481 D C 1.439 177.844 176.300 0.174 0.000 0.966 481 D CA 1.296 55.444 54.000 0.247 0.000 0.864 481 D CB -0.156 40.761 40.800 0.195 0.000 0.933 481 D HN 0.363 nan 8.370 nan 0.000 0.499 482 E N -1.620 118.640 120.200 0.100 0.000 2.481 482 E HA -0.007 4.344 4.350 0.001 0.000 0.198 482 E C 0.424 177.035 176.600 0.019 0.000 1.027 482 E CA -0.202 56.229 56.400 0.051 0.000 0.900 482 E CB 0.142 29.851 29.700 0.014 0.000 0.993 482 E HN 0.443 nan 8.360 nan 0.000 0.482 483 Y N -0.312 119.893 120.300 -0.158 0.000 2.510 483 Y HA 0.127 4.678 4.550 0.002 0.000 0.273 483 Y C 0.172 175.764 175.900 -0.513 0.000 1.119 483 Y CA 0.238 58.127 58.100 -0.352 0.000 1.286 483 Y CB 0.464 38.652 38.460 -0.454 0.000 1.061 483 Y HN -0.183 nan 8.280 nan 0.000 0.542 484 F N -1.212 118.845 119.950 0.178 0.000 2.535 484 F HA 0.264 4.792 4.527 0.001 0.000 0.367 484 F C 1.808 177.643 175.800 0.059 0.000 1.096 484 F CA -0.277 57.788 58.000 0.109 0.000 1.088 484 F CB 0.515 39.635 39.000 0.201 0.000 1.387 484 F HN -0.196 nan 8.300 nan 0.000 0.494 485 S N -1.057 114.815 115.700 0.286 0.000 2.371 485 S HA 0.171 4.641 4.470 0.001 0.000 0.219 485 S C -0.169 174.539 174.600 0.180 0.000 1.040 485 S CA 0.480 58.777 58.200 0.161 0.000 0.958 485 S CB -0.246 63.022 63.200 0.112 0.000 0.860 485 S HN 0.701 nan 8.310 nan 0.000 0.487 486 E N -0.622 119.700 120.200 0.204 0.000 2.392 486 E HA 0.578 4.928 4.350 0.001 0.000 0.281 486 E C -0.780 175.889 176.600 0.115 0.000 1.088 486 E CA -0.932 55.574 56.400 0.177 0.000 0.850 486 E CB 0.823 30.596 29.700 0.121 0.000 1.267 486 E HN 0.355 nan 8.360 nan 0.000 0.438 487 G N -0.553 108.323 108.800 0.127 0.000 2.921 487 G HA2 0.542 4.503 3.960 0.001 0.000 0.291 487 G HA3 0.542 4.503 3.960 0.001 0.000 0.291 487 G C -1.538 173.430 174.900 0.114 0.000 1.370 487 G CA -0.498 44.636 45.100 0.057 0.000 0.847 487 G HN 0.611 nan 8.290 nan 0.000 0.532 488 c N 0.597 119.255 118.600 0.098 0.000 2.356 488 c HA 0.804 5.374 4.570 0.001 0.000 0.324 488 c C 0.242 174.458 174.090 0.210 0.000 1.167 488 c CA 0.061 56.483 56.329 0.155 0.000 1.420 488 c CB -0.550 42.063 42.510 0.172 0.000 2.036 488 c HN 1.127 nan 8.230 nan 0.000 0.435 489 A N 7.931 130.901 122.820 0.249 0.000 2.763 489 A HA 0.671 4.992 4.320 0.001 0.000 0.325 489 A C -2.906 174.728 177.584 0.083 0.000 1.209 489 A CA -1.086 51.099 52.037 0.247 0.000 0.764 489 A CB 0.388 19.559 19.000 0.286 0.000 1.120 489 A HN 0.673 nan 8.150 nan 0.000 0.463 490 P HA 0.351 nan 4.420 nan 0.000 0.268 490 P C 1.167 178.482 177.300 0.026 0.000 1.204 490 P CA 1.787 64.957 63.100 0.116 0.000 0.768 490 P CB 1.016 32.882 31.700 0.277 0.000 0.842 491 G N 1.231 110.023 108.800 -0.013 0.000 2.218 491 G HA2 -0.205 3.756 3.960 0.001 0.000 0.216 491 G HA3 -0.205 3.756 3.960 0.001 0.000 0.216 491 G C 0.519 175.358 174.900 -0.102 0.000 0.994 491 G CA -0.137 44.922 45.100 -0.069 0.000 0.637 491 G HN 0.558 nan 8.290 nan 0.000 0.505 492 S N 1.865 117.507 115.700 -0.096 0.000 2.596 492 S HA 0.469 4.939 4.470 0.001 0.000 0.260 492 S C -1.985 172.604 174.600 -0.018 0.000 1.336 492 S CA -0.400 57.760 58.200 -0.066 0.000 0.993 492 S CB 0.684 63.880 63.200 -0.007 0.000 0.923 492 S HN 0.235 nan 8.310 nan 0.000 0.567 493 P HA 0.067 nan 4.420 nan 0.000 0.264 493 P C -1.648 175.667 177.300 0.024 0.000 1.193 493 P CA -0.910 62.199 63.100 0.014 0.000 0.763 493 P CB 0.215 31.930 31.700 0.025 0.000 0.810 494 P HA -0.171 nan 4.420 nan 0.000 0.218 494 P C 0.379 177.698 177.300 0.031 0.000 1.149 494 P CA 1.523 64.635 63.100 0.021 0.000 0.817 494 P CB 0.197 31.903 31.700 0.009 0.000 0.785 495 N N -0.160 118.559 118.700 0.032 0.000 2.295 495 N HA 0.034 4.775 4.740 0.001 0.000 0.221 495 N C 0.590 176.130 175.510 0.050 0.000 1.129 495 N CA 0.024 53.096 53.050 0.037 0.000 0.836 495 N CB -0.130 38.375 38.487 0.030 0.000 1.040 495 N HN 0.295 nan 8.380 nan 0.000 0.494 496 S N -1.043 114.695 115.700 0.063 0.000 2.745 496 S HA 0.442 4.913 4.470 0.001 0.000 0.292 496 S C 1.295 175.957 174.600 0.103 0.000 1.127 496 S CA -0.648 57.602 58.200 0.083 0.000 1.007 496 S CB 1.731 64.988 63.200 0.095 0.000 1.165 496 S HN -0.131 nan 8.310 nan 0.000 0.544 497 R N -0.237 120.340 120.500 0.129 0.000 2.148 497 R HA 0.159 4.500 4.340 0.001 0.000 0.227 497 R C 1.171 177.580 176.300 0.181 0.000 1.103 497 R CA 0.616 56.807 56.100 0.151 0.000 0.983 497 R CB -1.234 29.172 30.300 0.177 0.000 0.874 497 R HN 0.522 nan 8.270 nan 0.000 0.451 498 L N -0.300 121.047 121.223 0.207 0.000 2.645 498 L HA 0.061 4.402 4.340 0.001 0.000 0.234 498 L C 1.099 178.070 176.870 0.168 0.000 1.165 498 L CA 0.406 55.384 54.840 0.230 0.000 0.944 498 L CB -0.782 41.459 42.059 0.303 0.000 1.149 498 L HN 0.119 nan 8.230 nan 0.000 0.446 499 c N -1.601 117.078 118.600 0.131 0.000 3.188 499 c HA 0.075 4.646 4.570 0.001 0.000 0.315 499 c C 2.414 176.565 174.090 0.100 0.000 1.285 499 c CA -0.260 56.131 56.329 0.103 0.000 1.729 499 c CB 0.449 43.004 42.510 0.076 0.000 2.257 499 c HN 0.516 nan 8.230 nan 0.000 0.645 500 Q N 0.815 120.677 119.800 0.104 0.000 2.167 500 Q HA -0.011 4.329 4.340 0.001 0.000 0.202 500 Q C 1.778 177.838 176.000 0.100 0.000 0.970 500 Q CA 1.123 56.980 55.803 0.090 0.000 0.855 500 Q CB -0.043 28.747 28.738 0.087 0.000 0.911 500 Q HN 0.665 nan 8.270 nan 0.000 0.438 501 L N -0.172 121.127 121.223 0.127 0.000 2.446 501 L HA 0.045 4.386 4.340 0.001 0.000 0.219 501 L C 0.986 178.030 176.870 0.290 0.000 1.116 501 L CA -0.426 54.518 54.840 0.173 0.000 0.844 501 L CB -0.042 42.089 42.059 0.119 0.000 0.970 501 L HN 0.158 nan 8.230 nan 0.000 0.457 502 c N 0.561 119.296 118.600 0.224 0.000 2.665 502 c HA -0.006 4.565 4.570 0.001 0.000 0.416 502 c C 1.747 175.826 174.090 -0.017 0.000 1.305 502 c CA -0.122 56.311 56.329 0.173 0.000 1.903 502 c CB 0.851 43.436 42.510 0.125 0.000 2.704 502 c HN 0.443 nan 8.230 nan 0.000 0.629 503 Q N 0.430 120.102 119.800 -0.213 0.000 2.423 503 Q HA 0.372 4.713 4.340 0.001 0.000 0.231 503 Q C 1.053 176.976 176.000 -0.129 0.000 0.894 503 Q CA 1.180 56.851 55.803 -0.221 0.000 0.938 503 Q CB 0.352 28.837 28.738 -0.421 0.000 1.079 503 Q HN 1.217 nan 8.270 nan 0.000 0.552 504 G N -0.497 108.237 108.800 -0.110 0.000 2.582 504 G HA2 -0.228 3.732 3.960 0.001 0.000 0.222 504 G HA3 -0.228 3.732 3.960 0.001 0.000 0.222 504 G C 0.029 174.896 174.900 -0.055 0.000 1.311 504 G CA -0.264 44.803 45.100 -0.054 0.000 0.915 504 G HN 0.239 nan 8.290 nan 0.000 0.528 505 S N -0.876 114.810 115.700 -0.022 0.000 2.465 505 S HA 0.319 4.790 4.470 0.001 0.000 0.215 505 S C 2.413 176.984 174.600 -0.048 0.000 1.438 505 S CA 1.774 59.960 58.200 -0.023 0.000 1.223 505 S CB -0.766 62.428 63.200 -0.011 0.000 0.636 505 S HN 2.161 nan 8.310 nan 0.000 0.421 506 G N -0.971 107.798 108.800 -0.051 0.000 2.404 506 G HA2 0.316 4.276 3.960 0.001 0.000 0.215 506 G HA3 0.316 4.276 3.960 0.001 0.000 0.215 506 G C 0.824 175.701 174.900 -0.039 0.000 1.174 506 G CA 0.840 45.915 45.100 -0.043 0.000 0.780 506 G HN 1.633 nan 8.290 nan 0.000 0.537 507 G N -0.960 107.820 108.800 -0.033 0.000 2.507 507 G HA2 -0.050 3.911 3.960 0.001 0.000 0.225 507 G HA3 -0.050 3.911 3.960 0.001 0.000 0.225 507 G C 0.667 175.555 174.900 -0.019 0.000 1.078 507 G CA 0.065 45.149 45.100 -0.027 0.000 0.939 507 G HN 0.264 nan 8.290 nan 0.000 0.538 508 I N 0.195 120.753 120.570 -0.019 0.000 2.810 508 I HA 0.138 4.309 4.170 0.001 0.000 0.262 508 I C -0.902 175.210 176.117 -0.009 0.000 1.131 508 I CA 0.455 61.746 61.300 -0.015 0.000 1.453 508 I CB 0.432 38.419 38.000 -0.020 0.000 1.161 508 I HN 0.137 nan 8.210 nan 0.000 0.444 509 P HA 0.288 nan 4.420 nan 0.000 0.290 509 P C -1.987 175.315 177.300 0.002 0.000 1.806 509 P CA -0.955 62.145 63.100 0.001 0.000 1.273 509 P CB 0.080 31.784 31.700 0.005 0.000 1.863 510 P HA -0.200 nan 4.420 nan 0.000 0.218 510 P C -0.063 177.238 177.300 0.001 0.000 1.147 510 P CA 1.073 64.169 63.100 -0.005 0.000 0.827 510 P CB -0.021 31.672 31.700 -0.011 0.000 0.778 511 E N -0.335 119.868 120.200 0.004 0.000 2.246 511 E HA -0.194 4.157 4.350 0.001 0.000 0.211 511 E C 0.062 176.660 176.600 -0.003 0.000 1.278 511 E CA 0.345 56.747 56.400 0.003 0.000 0.694 511 E CB -1.708 28.010 29.700 0.030 0.000 1.166 511 E HN 0.626 nan 8.360 nan 0.000 0.370 512 K N -1.257 119.140 120.400 -0.005 0.000 2.090 512 K HA 0.612 4.933 4.320 0.001 0.000 0.249 512 K C 0.608 177.214 176.600 0.010 0.000 0.995 512 K CA -0.215 56.071 56.287 -0.002 0.000 0.914 512 K CB 1.730 34.228 32.500 -0.003 0.000 1.057 512 K HN 0.280 nan 8.250 nan 0.000 0.462 513 c N 0.823 119.442 118.600 0.032 0.000 4.331 513 c HA -0.115 4.456 4.570 0.001 0.000 0.293 513 c C 0.215 174.314 174.090 0.015 0.000 1.436 513 c CA 0.449 56.804 56.329 0.044 0.000 1.993 513 c CB -2.732 39.803 42.510 0.041 0.000 1.266 513 c HN 0.584 nan 8.230 nan 0.000 0.795 514 V N -1.276 118.633 119.914 -0.008 0.000 2.617 514 V HA 0.820 4.940 4.120 0.001 0.000 0.298 514 V C 0.687 176.720 176.094 -0.101 0.000 1.048 514 V CA 0.190 62.448 62.300 -0.070 0.000 0.964 514 V CB 1.771 33.522 31.823 -0.120 0.000 1.004 514 V HN 1.051 nan 8.190 nan 0.000 0.466 515 A N 3.181 125.905 122.820 -0.161 0.000 3.197 515 A HA 0.681 5.001 4.320 0.001 0.000 0.263 515 A C 0.704 177.839 177.584 -0.749 0.000 1.524 515 A CA 0.387 52.279 52.037 -0.241 0.000 1.176 515 A CB -1.275 17.698 19.000 -0.046 0.000 1.096 515 A HN 1.555 nan 8.150 nan 0.000 0.655 516 S N -1.499 113.579 115.700 -1.036 0.000 2.776 516 S HA 0.454 4.924 4.470 0.001 0.000 0.292 516 S C 0.616 174.701 174.600 -0.858 0.000 1.187 516 S CA 0.243 57.817 58.200 -1.043 0.000 0.834 516 S CB 0.622 63.463 63.200 -0.600 0.000 1.199 516 S HN 0.879 nan 8.310 nan 0.000 0.514 517 S N -0.679 114.838 115.700 -0.304 0.000 2.701 517 S HA 0.120 4.590 4.470 0.001 0.000 0.220 517 S C 0.914 175.600 174.600 0.144 0.000 0.954 517 S CA 0.029 58.251 58.200 0.037 0.000 0.936 517 S CB -1.132 62.150 63.200 0.137 0.000 0.777 517 S HN 0.726 nan 8.310 nan 0.000 0.518 518 H N 0.711 119.719 119.070 -0.104 0.000 2.372 518 H HA 0.124 4.681 4.556 0.001 0.000 0.301 518 H C 0.891 176.186 175.328 -0.055 0.000 1.065 518 H CA 0.702 56.709 56.048 -0.068 0.000 1.364 518 H CB -0.007 29.704 29.762 -0.084 0.000 1.406 518 H HN 0.447 nan 8.280 nan 0.000 0.521 519 E N 2.315 122.555 120.200 0.067 0.000 2.417 519 E HA -0.050 4.301 4.350 0.001 0.000 0.261 519 E C 0.718 177.351 176.600 0.055 0.000 1.000 519 E CA 0.095 56.521 56.400 0.043 0.000 0.919 519 E CB 0.602 30.343 29.700 0.068 0.000 0.955 519 E HN 0.157 nan 8.360 nan 0.000 0.455 520 K N 3.569 123.930 120.400 -0.064 0.000 2.063 520 K HA -0.163 4.158 4.320 0.001 0.000 0.208 520 K C 0.538 177.152 176.600 0.024 0.000 1.048 520 K CA 1.211 57.430 56.287 -0.112 0.000 0.928 520 K CB -0.177 32.104 32.500 -0.364 0.000 0.713 520 K HN 0.558 nan 8.250 nan 0.000 0.442 521 Y N -0.320 119.981 120.300 0.001 0.000 2.496 521 Y HA 0.121 4.672 4.550 0.001 0.000 0.313 521 Y C 0.046 175.972 175.900 0.043 0.000 1.184 521 Y CA -1.202 56.884 58.100 -0.023 0.000 1.275 521 Y CB -1.054 37.384 38.460 -0.037 0.000 1.103 521 Y HN -0.069 nan 8.280 nan 0.000 0.513 522 F N 0.618 120.623 119.950 0.092 0.000 2.396 522 F HA 0.592 5.119 4.527 0.001 0.000 0.343 522 F C 0.893 176.706 175.800 0.022 0.000 1.104 522 F CA 0.502 58.529 58.000 0.045 0.000 1.161 522 F CB 0.526 39.543 39.000 0.028 0.000 1.146 522 F HN 0.297 nan 8.300 nan 0.000 0.522 523 G N 4.671 112.944 108.800 -0.878 0.000 2.660 523 G HA2 -0.327 3.634 3.960 0.001 0.000 0.215 523 G HA3 -0.327 3.634 3.960 0.001 0.000 0.215 523 G C -0.188 174.498 174.900 -0.358 0.000 1.345 523 G CA -0.007 44.647 45.100 -0.742 0.000 0.877 523 G HN 0.702 nan 8.290 nan 0.000 0.549 524 Y N 0.007 120.231 120.300 -0.126 0.000 2.200 524 Y HA 0.039 4.590 4.550 0.001 0.000 0.290 524 Y C 3.400 179.262 175.900 -0.063 0.000 1.137 524 Y CA 2.335 60.384 58.100 -0.085 0.000 1.163 524 Y CB -0.652 37.751 38.460 -0.096 0.000 0.988 524 Y HN 0.506 nan 8.280 nan 0.000 0.518 525 T N -0.968 113.678 114.554 0.154 0.000 3.043 525 T HA -0.000 4.350 4.350 0.001 0.000 0.263 525 T C 2.142 176.876 174.700 0.058 0.000 1.094 525 T CA 1.006 63.199 62.100 0.155 0.000 1.127 525 T CB -0.483 68.526 68.868 0.235 0.000 0.905 525 T HN 0.554 nan 8.240 nan 0.000 0.490 526 G N 0.801 109.614 108.800 0.022 0.000 2.464 526 G HA2 0.162 4.123 3.960 0.001 0.000 0.217 526 G HA3 0.162 4.123 3.960 0.001 0.000 0.217 526 G C 1.581 176.433 174.900 -0.080 0.000 1.138 526 G CA 0.613 45.713 45.100 -0.000 0.000 0.793 526 G HN 0.535 nan 8.290 nan 0.000 0.539 527 A N 0.015 122.772 122.820 -0.104 0.000 2.081 527 A HA 0.388 4.709 4.320 0.001 0.000 0.214 527 A C 2.148 179.603 177.584 -0.215 0.000 1.158 527 A CA 0.227 52.159 52.037 -0.176 0.000 0.724 527 A CB -0.151 18.783 19.000 -0.109 0.000 0.826 527 A HN 0.323 nan 8.150 nan 0.000 0.463 528 L N -0.823 120.307 121.223 -0.154 0.000 2.109 528 L HA -0.089 4.252 4.340 0.001 0.000 0.207 528 L C 2.703 179.472 176.870 -0.168 0.000 1.086 528 L CA 1.455 56.209 54.840 -0.143 0.000 0.760 528 L CB -0.268 41.774 42.059 -0.029 0.000 0.910 528 L HN 0.502 nan 8.230 nan 0.000 0.437 529 R N -0.913 119.358 120.500 -0.382 0.000 2.092 529 R HA -0.214 4.127 4.340 0.001 0.000 0.231 529 R C 2.534 178.537 176.300 -0.494 0.000 1.119 529 R CA 1.720 57.413 56.100 -0.679 0.000 0.970 529 R CB -0.538 29.127 30.300 -1.059 0.000 0.864 529 R HN 0.505 nan 8.270 nan 0.000 0.440 530 c N 0.445 118.604 118.600 -0.735 0.000 2.453 530 c HA -0.061 4.510 4.570 0.001 0.000 0.277 530 c C 2.551 176.339 174.090 -0.503 0.000 1.262 530 c CA 0.774 56.418 56.329 -1.141 0.000 1.718 530 c CB -1.107 40.727 42.510 -1.128 0.000 2.031 530 c HN 0.664 nan 8.230 nan 0.000 0.480 531 L N 0.905 121.942 121.223 -0.310 0.000 1.989 531 L HA -0.074 4.267 4.340 0.001 0.000 0.211 531 L C 2.497 179.347 176.870 -0.032 0.000 1.071 531 L CA 2.358 57.108 54.840 -0.150 0.000 0.749 531 L CB -0.964 41.035 42.059 -0.101 0.000 0.890 531 L HN 0.287 nan 8.230 nan 0.000 0.431 532 V N 0.784 120.721 119.914 0.038 0.000 2.214 532 V HA -0.299 3.822 4.120 0.001 0.000 0.245 532 V C 2.251 178.387 176.094 0.070 0.000 1.047 532 V CA 2.229 64.616 62.300 0.146 0.000 0.998 532 V CB -0.834 31.167 31.823 0.297 0.000 0.633 532 V HN 0.791 nan 8.190 nan 0.000 0.446 533 E N -1.004 119.212 120.200 0.026 0.000 2.403 533 E HA 0.030 4.381 4.350 0.001 0.000 0.187 533 E C 1.221 177.846 176.600 0.041 0.000 1.073 533 E CA 0.215 56.650 56.400 0.058 0.000 0.888 533 E CB 0.321 30.084 29.700 0.106 0.000 1.035 533 E HN 0.340 nan 8.360 nan 0.000 0.471 534 K N -0.625 119.756 120.400 -0.031 0.000 2.226 534 K HA 0.125 4.446 4.320 0.001 0.000 0.140 534 K C 0.264 176.825 176.600 -0.065 0.000 2.039 534 K CA 0.851 57.123 56.287 -0.026 0.000 1.172 534 K CB 0.770 33.279 32.500 0.016 0.000 2.136 534 K HN 0.200 nan 8.250 nan 0.000 0.492 535 G N -0.080 108.648 108.800 -0.121 0.000 3.013 535 G HA2 0.351 4.311 3.960 0.001 0.000 0.278 535 G HA3 0.351 4.311 3.960 0.001 0.000 0.278 535 G C -0.054 174.788 174.900 -0.095 0.000 1.353 535 G CA -0.197 44.832 45.100 -0.119 0.000 1.043 535 G HN -0.091 nan 8.290 nan 0.000 0.523 536 D N -1.570 118.768 120.400 -0.102 0.000 2.216 536 D HA 0.068 4.709 4.640 0.001 0.000 0.208 536 D C 0.639 176.870 176.300 -0.115 0.000 0.960 536 D CA 1.190 55.145 54.000 -0.074 0.000 0.861 536 D CB 0.748 41.525 40.800 -0.038 0.000 0.985 536 D HN 0.102 nan 8.370 nan 0.000 0.493 537 V N -0.048 119.733 119.914 -0.222 0.000 2.962 537 V HA 0.736 4.857 4.120 0.001 0.000 0.313 537 V C -0.624 175.174 176.094 -0.493 0.000 1.099 537 V CA -1.197 60.874 62.300 -0.382 0.000 0.971 537 V CB 1.985 33.447 31.823 -0.602 0.000 1.028 537 V HN 0.039 nan 8.190 nan 0.000 0.430 538 A N 2.311 124.802 122.820 -0.547 0.000 2.357 538 A HA 0.849 5.170 4.320 0.001 0.000 0.295 538 A C -1.286 175.986 177.584 -0.519 0.000 1.121 538 A CA -0.288 51.480 52.037 -0.449 0.000 0.742 538 A CB 0.594 19.425 19.000 -0.281 0.000 1.181 538 A HN 0.611 nan 8.150 nan 0.000 0.454 539 F N 2.909 122.817 119.950 -0.070 0.000 2.350 539 F HA 0.605 5.133 4.527 0.001 0.000 0.365 539 F C 0.152 176.013 175.800 0.101 0.000 1.122 539 F CA -0.196 57.836 58.000 0.054 0.000 1.139 539 F CB 0.741 39.809 39.000 0.113 0.000 1.220 539 F HN 0.448 nan 8.300 nan 0.000 0.499 540 I N 0.922 121.633 120.570 0.236 0.000 3.466 540 I HA 0.303 4.474 4.170 0.001 0.000 0.311 540 I C -0.519 175.752 176.117 0.256 0.000 1.155 540 I CA -0.836 60.614 61.300 0.250 0.000 0.959 540 I CB 1.861 39.906 38.000 0.076 0.000 1.332 540 I HN 0.389 nan 8.210 nan 0.000 0.483 541 Q N 0.403 120.283 119.800 0.132 0.000 2.260 541 Q HA 0.148 4.489 4.340 0.001 0.000 0.238 541 Q C 0.592 176.516 176.000 -0.128 0.000 0.948 541 Q CA -0.034 55.727 55.803 -0.071 0.000 0.895 541 Q CB 1.007 29.303 28.738 -0.736 0.000 1.218 541 Q HN 0.788 nan 8.270 nan 0.000 0.470 542 H N -0.343 118.641 119.070 -0.143 0.000 2.456 542 H HA -0.045 4.512 4.556 0.001 0.000 0.296 542 H C 1.244 176.364 175.328 -0.347 0.000 1.079 542 H CA 1.723 57.607 56.048 -0.272 0.000 1.322 542 H CB 0.133 29.570 29.762 -0.543 0.000 1.388 542 H HN 0.478 nan 8.280 nan 0.000 0.538 543 S N -1.093 114.081 115.700 -0.877 0.000 2.556 543 S HA 0.055 4.526 4.470 0.001 0.000 0.216 543 S C 1.448 175.816 174.600 -0.387 0.000 0.970 543 S CA 0.122 57.949 58.200 -0.622 0.000 0.912 543 S CB -0.152 62.596 63.200 -0.754 0.000 0.790 543 S HN 0.426 nan 8.310 nan 0.000 0.504 544 T N 2.204 116.554 114.554 -0.341 0.000 2.833 544 T HA -0.026 4.324 4.350 0.001 0.000 0.269 544 T C 1.720 176.317 174.700 -0.170 0.000 1.054 544 T CA 1.327 63.289 62.100 -0.229 0.000 1.135 544 T CB -0.320 68.451 68.868 -0.163 0.000 0.869 544 T HN 0.314 nan 8.240 nan 0.000 0.466 545 V N 0.874 120.676 119.914 -0.186 0.000 2.379 545 V HA -0.059 4.062 4.120 0.001 0.000 0.243 545 V C 2.520 178.573 176.094 -0.068 0.000 1.035 545 V CA 1.420 63.621 62.300 -0.166 0.000 1.035 545 V CB -0.376 31.330 31.823 -0.195 0.000 0.673 545 V HN 0.484 nan 8.190 nan 0.000 0.457 546 E N 0.404 120.565 120.200 -0.065 0.000 2.070 546 E HA -0.293 4.058 4.350 0.001 0.000 0.197 546 E C 2.116 178.682 176.600 -0.056 0.000 1.004 546 E CA 1.884 58.261 56.400 -0.039 0.000 0.805 546 E CB -0.090 29.584 29.700 -0.044 0.000 0.744 546 E HN 0.695 nan 8.360 nan 0.000 0.451 547 E N -0.194 119.950 120.200 -0.094 0.000 2.209 547 E HA -0.150 4.201 4.350 0.001 0.000 0.196 547 E C 1.189 177.753 176.600 -0.061 0.000 0.993 547 E CA 0.798 57.147 56.400 -0.085 0.000 0.819 547 E CB 0.005 29.635 29.700 -0.116 0.000 0.745 547 E HN 0.265 nan 8.360 nan 0.000 0.477 548 N N 0.446 119.115 118.700 -0.051 0.000 2.214 548 N HA 0.017 4.758 4.740 0.001 0.000 0.214 548 N C 0.113 175.582 175.510 -0.068 0.000 1.132 548 N CA 0.400 53.412 53.050 -0.063 0.000 0.856 548 N CB 1.097 39.585 38.487 0.002 0.000 1.020 548 N HN 0.156 nan 8.380 nan 0.000 0.509 549 T N -5.042 109.499 114.554 -0.023 0.000 2.773 549 T HA 0.573 4.924 4.350 0.001 0.000 0.278 549 T C 0.800 175.494 174.700 -0.011 0.000 1.011 549 T CA -0.136 61.970 62.100 0.010 0.000 1.014 549 T CB 1.829 70.755 68.868 0.097 0.000 1.293 549 T HN 0.013 nan 8.240 nan 0.000 0.554 550 G N -0.410 108.390 108.800 -0.001 0.000 2.305 550 G HA2 0.192 4.153 3.960 0.001 0.000 0.287 550 G HA3 0.192 4.153 3.960 0.001 0.000 0.287 550 G C 1.314 176.198 174.900 -0.027 0.000 1.036 550 G CA 0.813 45.907 45.100 -0.010 0.000 0.887 550 G HN 2.415 nan 8.290 nan 0.000 0.505 551 G N -0.962 107.813 108.800 -0.041 0.000 2.196 551 G HA2 -0.388 3.573 3.960 0.001 0.000 0.268 551 G HA3 -0.388 3.573 3.960 0.001 0.000 0.268 551 G C 1.192 176.054 174.900 -0.064 0.000 0.975 551 G CA 1.545 46.612 45.100 -0.056 0.000 0.648 551 G HN 0.882 nan 8.290 nan 0.000 0.538 552 K N -0.422 119.941 120.400 -0.062 0.000 2.296 552 K HA -0.012 4.309 4.320 0.001 0.000 0.200 552 K C 0.848 177.401 176.600 -0.078 0.000 1.048 552 K CA 0.624 56.875 56.287 -0.060 0.000 0.966 552 K CB 0.054 32.525 32.500 -0.049 0.000 0.754 552 K HN 0.345 nan 8.250 nan 0.000 0.466 553 N N 1.487 120.114 118.700 -0.121 0.000 2.444 553 N HA 0.058 4.799 4.740 0.001 0.000 0.262 553 N C -0.928 174.464 175.510 -0.198 0.000 0.974 553 N CA -0.154 52.802 53.050 -0.156 0.000 0.933 553 N CB 0.915 39.263 38.487 -0.233 0.000 1.137 553 N HN -0.171 nan 8.380 nan 0.000 0.498 554 K N 2.000 122.320 120.400 -0.134 0.000 3.129 554 K HA 0.346 4.667 4.320 0.001 0.000 0.241 554 K C -0.412 176.119 176.600 -0.115 0.000 1.239 554 K CA -0.354 55.862 56.287 -0.117 0.000 1.239 554 K CB 0.360 32.821 32.500 -0.066 0.000 1.347 554 K HN 0.507 nan 8.250 nan 0.000 0.435 555 A N 1.157 123.856 122.820 -0.202 0.000 2.269 555 A HA 0.168 4.489 4.320 0.001 0.000 0.327 555 A C 1.119 178.592 177.584 -0.186 0.000 1.112 555 A CA -0.651 51.298 52.037 -0.147 0.000 0.865 555 A CB 0.598 19.530 19.000 -0.113 0.000 1.227 555 A HN 0.436 nan 8.150 nan 0.000 0.498 556 D N 0.733 121.126 120.400 -0.012 0.000 2.137 556 D HA -0.272 4.369 4.640 0.001 0.000 0.189 556 D C 1.627 177.949 176.300 0.037 0.000 0.998 556 D CA 2.170 56.199 54.000 0.047 0.000 0.839 556 D CB -0.711 40.177 40.800 0.147 0.000 0.962 556 D HN 0.848 nan 8.370 nan 0.000 0.446 557 W N 1.634 122.963 121.300 0.048 0.000 2.402 557 W HA 0.277 4.938 4.660 0.001 0.000 0.286 557 W C 1.744 178.299 176.519 0.061 0.000 1.221 557 W CA 0.875 58.256 57.345 0.059 0.000 1.257 557 W CB -0.825 28.683 29.460 0.079 0.000 1.120 557 W HN 0.124 nan 8.180 nan 0.000 0.551 558 A N 0.869 123.116 122.820 -0.954 0.000 2.308 558 A HA 0.068 4.389 4.320 0.001 0.000 0.217 558 A C 2.065 179.395 177.584 -0.424 0.000 1.216 558 A CA 0.321 51.806 52.037 -0.921 0.000 0.864 558 A CB -0.508 17.549 19.000 -1.573 0.000 0.902 558 A HN 0.250 nan 8.150 nan 0.000 0.499 559 K N 0.596 120.827 120.400 -0.282 0.000 2.032 559 K HA -0.162 4.159 4.320 0.001 0.000 0.209 559 K C 1.326 177.863 176.600 -0.104 0.000 1.048 559 K CA 2.002 58.195 56.287 -0.157 0.000 0.927 559 K CB -0.205 32.238 32.500 -0.095 0.000 0.712 559 K HN 0.628 nan 8.250 nan 0.000 0.441 560 N N -0.344 118.311 118.700 -0.075 0.000 2.392 560 N HA 0.017 4.758 4.740 0.001 0.000 0.177 560 N C -0.579 174.909 175.510 -0.036 0.000 1.066 560 N CA -0.431 52.592 53.050 -0.044 0.000 0.895 560 N CB 0.262 38.735 38.487 -0.023 0.000 0.988 560 N HN -0.031 nan 8.380 nan 0.000 0.457 561 L N 2.490 123.695 121.223 -0.030 0.000 2.601 561 L HA -0.087 4.254 4.340 0.001 0.000 0.277 561 L C 0.391 177.275 176.870 0.023 0.000 1.219 561 L CA 1.055 55.906 54.840 0.017 0.000 0.915 561 L CB 0.023 42.142 42.059 0.101 0.000 1.160 561 L HN 0.244 nan 8.230 nan 0.000 0.494 562 Q N 3.345 123.151 119.800 0.010 0.000 2.399 562 Q HA 0.495 4.836 4.340 0.001 0.000 0.276 562 Q C 0.320 176.363 176.000 0.072 0.000 1.098 562 Q CA -0.865 54.954 55.803 0.027 0.000 0.827 562 Q CB 1.435 30.167 28.738 -0.010 0.000 1.386 562 Q HN 0.662 nan 8.270 nan 0.000 0.443 563 M N -1.304 118.366 119.600 0.116 0.000 2.722 563 M HA 0.127 4.608 4.480 0.001 0.000 0.238 563 M C -0.851 175.528 176.300 0.131 0.000 1.098 563 M CA 0.985 56.407 55.300 0.204 0.000 1.062 563 M CB -0.327 32.365 32.600 0.153 0.000 1.573 563 M HN 0.532 nan 8.290 nan 0.000 0.531 564 D N 1.340 121.753 120.400 0.023 0.000 2.333 564 D HA -0.060 4.580 4.640 0.001 0.000 0.208 564 D C 1.148 177.387 176.300 -0.100 0.000 0.984 564 D CA 0.650 54.638 54.000 -0.019 0.000 0.873 564 D CB 0.099 40.880 40.800 -0.031 0.000 0.935 564 D HN 0.425 nan 8.370 nan 0.000 0.521 565 D N -0.315 119.925 120.400 -0.265 0.000 2.348 565 D HA -0.025 4.615 4.640 0.001 0.000 0.216 565 D C 0.051 175.988 176.300 -0.605 0.000 0.970 565 D CA 0.667 54.350 54.000 -0.529 0.000 0.889 565 D CB 0.229 40.499 40.800 -0.884 0.000 0.912 565 D HN 0.232 nan 8.370 nan 0.000 0.524 566 F N 0.201 120.158 119.950 0.010 0.000 2.611 566 F HA 0.504 5.032 4.527 0.002 0.000 0.324 566 F C 0.292 176.099 175.800 0.011 0.000 1.061 566 F CA -1.041 56.964 58.000 0.009 0.000 0.954 566 F CB 1.709 40.715 39.000 0.010 0.000 1.301 566 F HN -0.414 nan 8.300 nan 0.000 0.482 567 E N 0.989 121.326 120.200 0.228 0.000 2.352 567 E HA 0.447 4.798 4.350 0.001 0.000 0.280 567 E C -1.372 175.291 176.600 0.105 0.000 0.930 567 E CA -0.775 55.702 56.400 0.130 0.000 0.765 567 E CB 2.863 32.616 29.700 0.088 0.000 1.219 567 E HN 0.389 nan 8.360 nan 0.000 0.434 568 L N 1.968 123.242 121.223 0.084 0.000 2.476 568 L HA 0.410 4.751 4.340 0.001 0.000 0.255 568 L C -0.183 176.738 176.870 0.084 0.000 1.218 568 L CA -0.382 54.503 54.840 0.075 0.000 0.819 568 L CB 0.154 42.254 42.059 0.068 0.000 1.119 568 L HN 0.344 nan 8.230 nan 0.000 0.485 569 L N 0.700 121.987 121.223 0.106 0.000 2.406 569 L HA 0.379 4.720 4.340 0.001 0.000 0.270 569 L C -0.715 176.215 176.870 0.100 0.000 0.982 569 L CA -0.625 54.304 54.840 0.147 0.000 0.843 569 L CB 1.580 43.792 42.059 0.256 0.000 1.225 569 L HN 0.633 nan 8.230 nan 0.000 0.412 570 c N 0.257 118.879 118.600 0.037 0.000 2.595 570 c HA 0.203 4.774 4.570 0.001 0.000 0.384 570 c C 2.174 176.134 174.090 -0.217 0.000 1.289 570 c CA -0.406 55.880 56.329 -0.073 0.000 2.372 570 c CB 0.828 43.309 42.510 -0.048 0.000 2.593 570 c HN 0.936 nan 8.230 nan 0.000 0.639 571 T N -0.330 113.946 114.554 -0.463 0.000 2.737 571 T HA -0.124 4.227 4.350 0.001 0.000 0.269 571 T C 0.131 174.565 174.700 -0.444 0.000 1.040 571 T CA 1.690 63.258 62.100 -0.886 0.000 1.142 571 T CB -0.256 68.259 68.868 -0.589 0.000 0.861 571 T HN 0.830 nan 8.240 nan 0.000 0.456 572 D N -1.662 118.638 120.400 -0.167 0.000 2.706 572 D HA 0.535 5.176 4.640 0.001 0.000 0.227 572 D C 0.131 176.432 176.300 0.002 0.000 1.233 572 D CA 0.684 54.678 54.000 -0.009 0.000 0.768 572 D CB 1.531 42.366 40.800 0.059 0.000 1.490 572 D HN 0.293 nan 8.370 nan 0.000 0.458 573 G N 1.097 109.925 108.800 0.046 0.000 2.249 573 G HA2 0.124 4.085 3.960 0.001 0.000 0.089 573 G HA3 0.124 4.085 3.960 0.001 0.000 0.089 573 G C -0.527 174.412 174.900 0.064 0.000 1.206 573 G CA -0.197 44.929 45.100 0.044 0.000 1.190 573 G HN 0.595 nan 8.290 nan 0.000 0.454 574 R N 1.475 122.001 120.500 0.043 0.000 2.995 574 R HA 0.449 4.790 4.340 0.001 0.000 0.287 574 R C -0.093 176.244 176.300 0.061 0.000 1.168 574 R CA 0.017 56.145 56.100 0.046 0.000 1.183 574 R CB -0.136 30.180 30.300 0.027 0.000 1.157 574 R HN 0.642 nan 8.270 nan 0.000 0.577 575 R N -0.800 119.733 120.500 0.055 0.000 2.428 575 R HA 0.610 4.950 4.340 0.001 0.000 0.294 575 R C -0.443 175.881 176.300 0.040 0.000 1.000 575 R CA -0.383 55.752 56.100 0.059 0.000 0.960 575 R CB 1.777 32.112 30.300 0.058 0.000 1.076 575 R HN 0.797 nan 8.270 nan 0.000 0.475 576 A N 1.791 124.633 122.820 0.038 0.000 2.437 576 A HA 0.330 4.651 4.320 0.001 0.000 0.292 576 A C -0.875 176.725 177.584 0.027 0.000 1.173 576 A CA -0.875 51.174 52.037 0.020 0.000 0.785 576 A CB 1.157 20.158 19.000 0.002 0.000 1.351 576 A HN 0.859 nan 8.150 nan 0.000 0.431 577 N N -0.165 118.542 118.700 0.011 0.000 2.513 577 N HA 0.166 4.907 4.740 0.001 0.000 0.268 577 N C 0.781 176.312 175.510 0.036 0.000 1.180 577 N CA -0.422 52.640 53.050 0.021 0.000 0.948 577 N CB 0.912 39.399 38.487 0.000 0.000 1.083 577 N HN 0.243 nan 8.380 nan 0.000 0.455 578 V N 3.697 123.654 119.914 0.072 0.000 2.794 578 V HA -0.188 3.933 4.120 0.001 0.000 0.260 578 V C 1.620 177.798 176.094 0.141 0.000 1.103 578 V CA 1.353 63.717 62.300 0.105 0.000 1.125 578 V CB -0.416 31.482 31.823 0.125 0.000 0.702 578 V HN 0.827 nan 8.190 nan 0.000 0.494 579 M N -0.420 119.228 119.600 0.081 0.000 2.549 579 M HA 0.220 4.701 4.480 0.001 0.000 0.273 579 M C -0.200 175.995 176.300 -0.174 0.000 1.213 579 M CA 0.386 55.719 55.300 0.055 0.000 0.976 579 M CB -0.058 32.564 32.600 0.037 0.000 1.457 579 M HN 0.237 nan 8.290 nan 0.000 0.485 580 D N -0.335 119.965 120.400 -0.168 0.000 2.980 580 D HA 0.117 4.758 4.640 0.001 0.000 0.333 580 D C 1.032 177.152 176.300 -0.300 0.000 1.356 580 D CA -0.195 53.630 54.000 -0.291 0.000 0.847 580 D CB -0.258 40.451 40.800 -0.151 0.000 1.122 580 D HN 0.348 nan 8.370 nan 0.000 0.475 581 Y N -0.342 119.858 120.300 -0.168 0.000 2.421 581 Y HA 0.031 4.582 4.550 0.001 0.000 0.292 581 Y C 2.082 177.713 175.900 -0.448 0.000 1.136 581 Y CA 0.295 58.249 58.100 -0.243 0.000 1.255 581 Y CB -0.344 37.980 38.460 -0.227 0.000 0.991 581 Y HN -0.153 nan 8.280 nan 0.000 0.552 582 R N 0.953 121.054 120.500 -0.666 0.000 2.080 582 R HA -0.195 4.145 4.340 0.001 0.000 0.236 582 R C 2.007 178.151 176.300 -0.260 0.000 1.137 582 R CA 1.937 57.712 56.100 -0.542 0.000 0.943 582 R CB -0.485 29.521 30.300 -0.491 0.000 0.846 582 R HN 0.570 nan 8.270 nan 0.000 0.431 583 E N -0.752 119.323 120.200 -0.208 0.000 2.400 583 E HA -0.050 4.301 4.350 0.001 0.000 0.195 583 E C 0.309 176.858 176.600 -0.084 0.000 1.012 583 E CA 0.099 56.429 56.400 -0.117 0.000 0.875 583 E CB 0.338 29.973 29.700 -0.108 0.000 0.859 583 E HN 0.164 nan 8.360 nan 0.000 0.498 584 c N 2.306 120.857 118.600 -0.080 0.000 2.660 584 c HA 0.322 4.892 4.570 0.001 0.000 0.265 584 c C -0.086 173.997 174.090 -0.013 0.000 1.573 584 c CA -0.686 55.617 56.329 -0.043 0.000 1.751 584 c CB -2.098 40.396 42.510 -0.026 0.000 3.033 584 c HN 0.387 nan 8.230 nan 0.000 0.511 585 N N -0.188 118.513 118.700 0.002 0.000 2.476 585 N HA 0.383 5.124 4.740 0.001 0.000 0.276 585 N C 0.508 176.031 175.510 0.021 0.000 1.204 585 N CA -0.749 52.342 53.050 0.068 0.000 0.974 585 N CB 0.490 39.084 38.487 0.179 0.000 1.204 585 N HN 0.187 nan 8.380 nan 0.000 0.543 586 L N -1.645 119.615 121.223 0.062 0.000 2.529 586 L HA 0.471 4.812 4.340 0.001 0.000 0.223 586 L C 0.432 177.329 176.870 0.045 0.000 1.113 586 L CA 0.220 55.060 54.840 -0.001 0.000 0.861 586 L CB -0.555 41.539 42.059 0.058 0.000 1.012 586 L HN 0.831 nan 8.230 nan 0.000 0.461 587 A N 0.167 123.056 122.820 0.115 0.000 2.517 587 A HA 0.342 4.663 4.320 0.001 0.000 0.296 587 A C -1.410 176.233 177.584 0.099 0.000 0.983 587 A CA -0.613 51.480 52.037 0.093 0.000 0.634 587 A CB 0.843 19.886 19.000 0.072 0.000 1.341 587 A HN 0.039 nan 8.150 nan 0.000 0.438 588 E N 0.723 120.898 120.200 -0.043 0.000 2.114 588 E HA 0.562 4.913 4.350 0.001 0.000 0.266 588 E C -0.517 175.895 176.600 -0.312 0.000 0.896 588 E CA -0.630 55.553 56.400 -0.362 0.000 0.750 588 E CB 1.150 30.614 29.700 -0.393 0.000 1.121 588 E HN 1.152 nan 8.360 nan 0.000 0.413 589 V N 2.075 121.728 119.914 -0.435 0.000 2.850 589 V HA 0.702 4.822 4.120 0.001 0.000 0.315 589 V C -2.320 173.447 176.094 -0.545 0.000 1.064 589 V CA -2.380 59.634 62.300 -0.477 0.000 0.979 589 V CB 1.177 32.684 31.823 -0.526 0.000 1.039 589 V HN 0.589 nan 8.190 nan 0.000 0.452 590 P HA 0.202 nan 4.420 nan 0.000 0.272 590 P C 0.030 177.282 177.300 -0.081 0.000 1.240 590 P CA 0.237 63.146 63.100 -0.319 0.000 0.791 590 P CB 0.677 32.147 31.700 -0.383 0.000 0.978 591 T N -1.771 112.888 114.554 0.176 0.000 2.788 591 T HA 0.205 4.556 4.350 0.001 0.000 0.280 591 T C 0.459 175.552 174.700 0.655 0.000 0.984 591 T CA -0.469 61.962 62.100 0.551 0.000 0.972 591 T CB -0.172 68.853 68.868 0.261 0.000 1.039 591 T HN 0.347 nan 8.240 nan 0.000 0.530 592 H N 0.080 119.426 119.070 0.461 0.000 2.732 592 H HA 0.509 5.066 4.556 0.001 0.000 0.351 592 H C 0.236 175.697 175.328 0.222 0.000 1.090 592 H CA -0.550 55.704 56.048 0.343 0.000 1.431 592 H CB 0.757 30.725 29.762 0.343 0.000 1.447 592 H HN 0.897 nan 8.280 nan 0.000 0.582 593 A N 2.896 125.843 122.820 0.212 0.000 2.469 593 A HA 0.456 4.776 4.320 0.001 0.000 0.299 593 A C -0.701 176.885 177.584 0.004 0.000 1.098 593 A CA -0.725 51.309 52.037 -0.004 0.000 0.737 593 A CB 1.345 20.101 19.000 -0.406 0.000 1.312 593 A HN 0.460 nan 8.150 nan 0.000 0.414 594 V N 1.618 121.536 119.914 0.007 0.000 2.461 594 V HA 0.441 4.562 4.120 0.001 0.000 0.275 594 V C 0.201 176.228 176.094 -0.112 0.000 1.047 594 V CA -0.184 62.118 62.300 0.002 0.000 0.955 594 V CB 0.907 32.813 31.823 0.139 0.000 0.988 594 V HN 1.014 nan 8.190 nan 0.000 0.471 595 V N 4.736 124.561 119.914 -0.148 0.000 2.448 595 V HA 0.951 5.071 4.120 0.001 0.000 0.295 595 V C -0.348 175.645 176.094 -0.170 0.000 1.025 595 V CA -0.547 61.660 62.300 -0.155 0.000 0.859 595 V CB 1.460 33.197 31.823 -0.143 0.000 0.988 595 V HN 0.801 nan 8.190 nan 0.000 0.431 596 V N 2.106 121.934 119.914 -0.143 0.000 3.160 596 V HA 0.695 4.816 4.120 0.001 0.000 0.310 596 V C -0.025 175.989 176.094 -0.134 0.000 1.181 596 V CA -1.450 60.761 62.300 -0.148 0.000 1.047 596 V CB 1.951 33.702 31.823 -0.121 0.000 1.068 596 V HN 1.007 nan 8.190 nan 0.000 0.441 597 R N 1.312 121.719 120.500 -0.155 0.000 2.590 597 R HA 0.243 4.584 4.340 0.001 0.000 0.274 597 R C -1.843 174.400 176.300 -0.094 0.000 1.061 597 R CA -0.971 55.038 56.100 -0.150 0.000 1.081 597 R CB 0.201 30.371 30.300 -0.217 0.000 0.984 597 R HN 0.545 nan 8.270 nan 0.000 0.448 598 P HA -0.261 nan 4.420 nan 0.000 0.217 598 P C 0.900 178.190 177.300 -0.017 0.000 1.148 598 P CA 1.394 64.476 63.100 -0.029 0.000 0.834 598 P CB 0.126 31.818 31.700 -0.013 0.000 0.783 599 E N -0.196 119.994 120.200 -0.017 0.000 2.371 599 E HA -0.094 4.257 4.350 0.001 0.000 0.194 599 E C 1.307 177.905 176.600 -0.002 0.000 1.012 599 E CA 0.887 57.290 56.400 0.004 0.000 0.860 599 E CB -0.465 29.254 29.700 0.031 0.000 0.811 599 E HN 0.267 nan 8.360 nan 0.000 0.502 600 K N 0.437 120.820 120.400 -0.028 0.000 2.404 600 K HA 0.264 4.585 4.320 0.001 0.000 0.194 600 K C 1.789 178.379 176.600 -0.017 0.000 1.023 600 K CA 0.455 56.726 56.287 -0.026 0.000 1.094 600 K CB 0.441 32.907 32.500 -0.057 0.000 0.841 600 K HN 0.123 nan 8.250 nan 0.000 0.523 601 A N 1.905 124.716 122.820 -0.015 0.000 1.978 601 A HA -0.210 4.111 4.320 0.001 0.000 0.220 601 A C 1.849 179.443 177.584 0.018 0.000 1.170 601 A CA 1.513 53.549 52.037 -0.003 0.000 0.636 601 A CB -0.279 18.719 19.000 -0.003 0.000 0.810 601 A HN 0.230 nan 8.150 nan 0.000 0.448 602 N N -0.307 118.405 118.700 0.020 0.000 2.135 602 N HA -0.118 4.622 4.740 0.001 0.000 0.186 602 N C 1.758 177.289 175.510 0.036 0.000 1.027 602 N CA 1.530 54.597 53.050 0.030 0.000 0.849 602 N CB -0.327 38.177 38.487 0.027 0.000 1.002 602 N HN 0.678 nan 8.380 nan 0.000 0.425 603 K N 1.089 121.508 120.400 0.031 0.000 1.978 603 K HA -0.139 4.182 4.320 0.001 0.000 0.214 603 K C 2.080 178.711 176.600 0.052 0.000 1.049 603 K CA 1.671 57.980 56.287 0.037 0.000 0.939 603 K CB -0.250 32.267 32.500 0.027 0.000 0.721 603 K HN 0.207 nan 8.250 nan 0.000 0.441 604 I N -1.186 119.417 120.570 0.054 0.000 2.830 604 I HA -0.071 4.100 4.170 0.001 0.000 0.263 604 I C 2.252 178.438 176.117 0.115 0.000 1.230 604 I CA 0.924 62.279 61.300 0.091 0.000 1.480 604 I CB -0.153 37.894 38.000 0.080 0.000 1.095 604 I HN 0.102 nan 8.210 nan 0.000 0.455 605 R N 0.824 121.376 120.500 0.087 0.000 2.075 605 R HA -0.147 4.193 4.340 0.001 0.000 0.232 605 R C 1.621 177.980 176.300 0.098 0.000 1.126 605 R CA 1.950 58.106 56.100 0.094 0.000 0.963 605 R CB -0.188 30.153 30.300 0.069 0.000 0.858 605 R HN 0.385 nan 8.270 nan 0.000 0.435 606 D N 0.143 120.592 120.400 0.081 0.000 2.149 606 D HA -0.068 4.573 4.640 0.001 0.000 0.201 606 D C 1.797 178.147 176.300 0.084 0.000 0.972 606 D CA 0.783 54.827 54.000 0.074 0.000 0.835 606 D CB 0.071 40.905 40.800 0.057 0.000 0.966 606 D HN 0.200 nan 8.370 nan 0.000 0.476 607 L N -0.052 121.225 121.223 0.091 0.000 2.291 607 L HA -0.050 4.291 4.340 0.001 0.000 0.214 607 L C 1.997 178.951 176.870 0.140 0.000 1.120 607 L CA 0.328 55.226 54.840 0.098 0.000 0.799 607 L CB -0.076 42.032 42.059 0.083 0.000 0.925 607 L HN 0.112 nan 8.230 nan 0.000 0.446 608 L N -0.365 120.964 121.223 0.177 0.000 2.209 608 L HA -0.049 4.291 4.340 0.001 0.000 0.207 608 L C 2.318 179.306 176.870 0.197 0.000 1.094 608 L CA 1.486 56.470 54.840 0.240 0.000 0.790 608 L CB -0.299 41.939 42.059 0.298 0.000 0.932 608 L HN 0.128 nan 8.230 nan 0.000 0.447 609 E N -0.735 119.553 120.200 0.146 0.000 2.150 609 E HA -0.201 4.150 4.350 0.001 0.000 0.193 609 E C 2.211 178.868 176.600 0.095 0.000 0.985 609 E CA 0.652 57.120 56.400 0.114 0.000 0.814 609 E CB 0.120 29.875 29.700 0.092 0.000 0.752 609 E HN 0.435 nan 8.360 nan 0.000 0.466 610 R N 0.223 120.779 120.500 0.095 0.000 2.081 610 R HA -0.135 4.206 4.340 0.001 0.000 0.235 610 R C 2.440 178.794 176.300 0.090 0.000 1.131 610 R CA 1.187 57.331 56.100 0.075 0.000 0.960 610 R CB -0.067 30.277 30.300 0.074 0.000 0.856 610 R HN 0.132 nan 8.270 nan 0.000 0.436 611 Q N 0.309 120.213 119.800 0.173 0.000 2.119 611 Q HA -0.183 4.158 4.340 0.001 0.000 0.201 611 Q C 1.795 177.935 176.000 0.232 0.000 0.972 611 Q CA 1.233 57.217 55.803 0.301 0.000 0.847 611 Q CB -0.015 29.002 28.738 0.466 0.000 0.903 611 Q HN 0.478 nan 8.270 nan 0.000 0.433 612 E N 0.289 120.570 120.200 0.134 0.000 2.274 612 E HA -0.118 4.233 4.350 0.001 0.000 0.194 612 E C 1.809 178.405 176.600 -0.006 0.000 0.996 612 E CA 0.348 56.775 56.400 0.044 0.000 0.840 612 E CB 0.329 30.079 29.700 0.083 0.000 0.772 612 E HN -0.011 nan 8.360 nan 0.000 0.491 613 K N 0.754 121.144 120.400 -0.016 0.000 2.057 613 K HA -0.072 4.248 4.320 0.001 0.000 0.206 613 K C 1.999 178.497 176.600 -0.171 0.000 1.050 613 K CA 0.939 57.188 56.287 -0.063 0.000 0.935 613 K CB 0.040 32.513 32.500 -0.045 0.000 0.715 613 K HN 0.141 nan 8.250 nan 0.000 0.439 614 R N -1.135 119.180 120.500 -0.310 0.000 2.161 614 R HA 0.005 4.346 4.340 0.001 0.000 0.213 614 R C 0.798 176.535 176.300 -0.939 0.000 1.055 614 R CA 0.817 56.473 56.100 -0.739 0.000 0.996 614 R CB 0.174 29.799 30.300 -1.125 0.000 0.901 614 R HN 0.109 nan 8.270 nan 0.000 0.456 615 F N -0.910 119.009 119.950 -0.052 0.000 2.859 615 F HA 0.328 4.855 4.527 0.001 0.000 0.324 615 F C 1.036 176.627 175.800 -0.348 0.000 1.158 615 F CA -0.687 57.210 58.000 -0.173 0.000 1.147 615 F CB 0.284 39.203 39.000 -0.134 0.000 1.137 615 F HN -0.109 nan 8.300 nan 0.000 0.516 616 G N 0.218 108.937 108.800 -0.134 0.000 2.553 616 G HA2 0.274 4.235 3.960 0.001 0.000 0.278 616 G HA3 0.274 4.235 3.960 0.001 0.000 0.278 616 G C 1.125 175.994 174.900 -0.052 0.000 1.349 616 G CA -0.270 44.751 45.100 -0.132 0.000 1.037 616 G HN -0.042 nan 8.290 nan 0.000 0.508 617 V N 0.500 120.472 119.914 0.096 0.000 2.453 617 V HA -0.119 4.002 4.120 0.001 0.000 0.252 617 V C 1.038 177.139 176.094 0.012 0.000 1.068 617 V CA 1.599 63.939 62.300 0.068 0.000 1.070 617 V CB -0.281 31.604 31.823 0.105 0.000 0.664 617 V HN 0.553 nan 8.190 nan 0.000 0.461 618 N N 0.276 118.980 118.700 0.007 0.000 2.660 618 N HA 0.258 4.999 4.740 0.001 0.000 0.316 618 N C 0.290 175.781 175.510 -0.032 0.000 1.774 618 N CA 0.272 53.315 53.050 -0.011 0.000 0.946 618 N CB 0.972 39.458 38.487 -0.003 0.000 1.322 618 N HN 0.378 nan 8.380 nan 0.000 0.492 619 G N -0.068 108.700 108.800 -0.052 0.000 2.636 619 G HA2 0.126 4.086 3.960 0.001 0.000 0.246 619 G HA3 0.126 4.086 3.960 0.001 0.000 0.246 619 G C 0.985 175.826 174.900 -0.099 0.000 1.216 619 G CA -0.131 44.910 45.100 -0.100 0.000 0.854 619 G HN 0.253 nan 8.290 nan 0.000 0.572 620 S N -1.259 114.349 115.700 -0.153 0.000 2.492 620 S HA 0.098 4.569 4.470 0.001 0.000 0.218 620 S C 1.169 175.706 174.600 -0.106 0.000 1.016 620 S CA 0.588 58.719 58.200 -0.115 0.000 0.916 620 S CB 0.253 63.382 63.200 -0.118 0.000 0.791 620 S HN 0.547 nan 8.310 nan 0.000 0.513 621 E N 0.694 120.791 120.200 -0.171 0.000 2.736 621 E HA 0.315 4.665 4.350 0.001 0.000 0.208 621 E C 0.961 177.644 176.600 0.138 0.000 0.996 621 E CA -0.267 56.114 56.400 -0.030 0.000 1.104 621 E CB 0.457 30.138 29.700 -0.032 0.000 1.111 621 E HN 0.404 nan 8.360 nan 0.000 0.455 622 K N 0.257 120.693 120.400 0.059 0.000 2.059 622 K HA -0.248 4.073 4.320 0.001 0.000 0.212 622 K C 2.109 178.765 176.600 0.093 0.000 1.050 622 K CA 1.916 58.246 56.287 0.072 0.000 0.927 622 K CB -0.319 32.181 32.500 -0.000 0.000 0.714 622 K HN 0.200 nan 8.250 nan 0.000 0.447 623 S N 1.324 117.068 115.700 0.072 0.000 2.413 623 S HA -0.265 4.205 4.470 0.001 0.000 0.237 623 S C 1.732 176.389 174.600 0.094 0.000 1.044 623 S CA 1.818 60.057 58.200 0.066 0.000 1.024 623 S CB -0.270 62.961 63.200 0.052 0.000 0.829 623 S HN 0.326 nan 8.310 nan 0.000 0.475 624 K N -0.492 120.005 120.400 0.161 0.000 2.141 624 K HA 0.377 4.698 4.320 0.001 0.000 0.202 624 K C 0.030 176.760 176.600 0.217 0.000 1.045 624 K CA 0.479 56.871 56.287 0.175 0.000 0.971 624 K CB 0.170 32.804 32.500 0.223 0.000 0.795 624 K HN 0.402 nan 8.250 nan 0.000 0.459 625 F N 0.397 120.377 119.950 0.048 0.000 2.615 625 F HA 0.432 4.959 4.527 0.001 0.000 0.312 625 F C -1.718 174.062 175.800 -0.033 0.000 1.119 625 F CA -1.207 56.723 58.000 -0.117 0.000 0.979 625 F CB 1.860 40.572 39.000 -0.480 0.000 1.266 625 F HN -0.264 nan 8.300 nan 0.000 0.444 626 M N 7.536 126.686 119.600 -0.750 0.000 2.134 626 M HA 0.307 4.788 4.480 0.001 0.000 0.310 626 M C 0.087 175.636 176.300 -1.251 0.000 0.966 626 M CA -0.425 54.452 55.300 -0.705 0.000 0.922 626 M CB 1.882 34.270 32.600 -0.354 0.000 1.537 626 M HN 0.934 nan 8.290 nan 0.000 0.424 627 M N 3.346 122.146 119.600 -1.334 0.000 2.202 627 M HA -0.134 4.347 4.480 0.001 0.000 0.262 627 M C -0.094 175.597 176.300 -1.013 0.000 1.063 627 M CA 1.920 56.349 55.300 -1.451 0.000 1.097 627 M CB -0.114 31.487 32.600 -1.665 0.000 1.382 627 M HN 0.501 nan 8.290 nan 0.000 0.413 628 F N 0.473 120.195 119.950 -0.381 0.000 2.975 628 F HA 0.374 4.902 4.527 0.001 0.000 0.311 628 F C 0.269 175.981 175.800 -0.146 0.000 1.239 628 F CA -0.721 57.156 58.000 -0.204 0.000 1.282 628 F CB -0.248 38.630 39.000 -0.202 0.000 1.071 628 F HN 0.000 nan 8.300 nan 0.000 0.516 629 E N 0.669 120.815 120.200 -0.090 0.000 2.275 629 E HA 0.456 4.807 4.350 0.001 0.000 0.270 629 E C -0.109 176.469 176.600 -0.037 0.000 0.882 629 E CA -0.054 56.301 56.400 -0.074 0.000 0.758 629 E CB 1.877 31.483 29.700 -0.156 0.000 1.195 629 E HN 0.213 nan 8.360 nan 0.000 0.419 630 S N 3.192 118.902 115.700 0.016 0.000 2.702 630 S HA 0.017 4.488 4.470 0.001 0.000 0.257 630 S C -0.066 174.569 174.600 0.058 0.000 0.981 630 S CA -0.243 57.986 58.200 0.048 0.000 1.414 630 S CB 0.402 63.654 63.200 0.087 0.000 1.239 630 S HN 0.463 nan 8.310 nan 0.000 0.676 631 Q N 1.023 120.850 119.800 0.045 0.000 2.477 631 Q HA -0.156 4.184 4.340 0.001 0.000 0.279 631 Q C -0.513 175.532 176.000 0.076 0.000 1.144 631 Q CA 0.819 56.653 55.803 0.051 0.000 0.898 631 Q CB -2.933 25.840 28.738 0.058 0.000 1.244 631 Q HN 0.965 nan 8.270 nan 0.000 0.485 632 N N -0.650 118.094 118.700 0.072 0.000 2.758 632 N HA -0.210 4.531 4.740 0.001 0.000 0.248 632 N C 0.343 175.937 175.510 0.139 0.000 1.076 632 N CA 1.442 54.548 53.050 0.093 0.000 0.696 632 N CB -0.617 37.931 38.487 0.101 0.000 0.979 632 N HN 0.461 nan 8.380 nan 0.000 0.550 633 K N 0.136 120.617 120.400 0.136 0.000 2.438 633 K HA 0.058 4.379 4.320 0.001 0.000 0.206 633 K C -0.640 176.070 176.600 0.182 0.000 1.081 633 K CA -0.235 56.151 56.287 0.165 0.000 1.053 633 K CB 0.547 33.138 32.500 0.152 0.000 0.908 633 K HN 0.191 nan 8.250 nan 0.000 0.556 634 D N 1.666 122.167 120.400 0.168 0.000 2.686 634 D HA -0.203 4.437 4.640 0.001 0.000 0.235 634 D C -0.886 175.541 176.300 0.211 0.000 1.160 634 D CA 0.726 54.843 54.000 0.196 0.000 0.645 634 D CB -0.652 40.288 40.800 0.233 0.000 1.039 634 D HN 0.063 nan 8.370 nan 0.000 0.423 635 L N 0.987 122.318 121.223 0.181 0.000 2.331 635 L HA 0.115 4.456 4.340 0.001 0.000 0.278 635 L C 1.561 178.524 176.870 0.155 0.000 1.106 635 L CA -0.108 54.830 54.840 0.163 0.000 0.824 635 L CB 0.910 43.050 42.059 0.135 0.000 1.142 635 L HN 0.136 nan 8.230 nan 0.000 0.443 636 L N 2.529 123.824 121.223 0.119 0.000 5.036 636 L HA -0.345 3.996 4.340 0.001 0.000 0.395 636 L C -0.039 176.670 176.870 -0.270 0.000 0.792 636 L CA 1.861 56.695 54.840 -0.010 0.000 2.205 636 L CB -1.871 40.135 42.059 -0.089 0.000 1.065 636 L HN 0.505 nan 8.230 nan 0.000 0.632 637 F N -1.253 118.844 119.950 0.244 0.000 2.643 637 F HA 0.500 5.028 4.527 0.001 0.000 0.314 637 F C 0.879 176.811 175.800 0.221 0.000 1.096 637 F CA -1.033 57.137 58.000 0.282 0.000 0.953 637 F CB 1.048 40.279 39.000 0.385 0.000 1.345 637 F HN -0.313 nan 8.300 nan 0.000 0.468 638 K N 0.904 121.547 120.400 0.404 0.000 2.258 638 K HA 0.102 4.422 4.320 0.001 0.000 0.264 638 K C -0.038 176.662 176.600 0.167 0.000 1.007 638 K CA -0.236 56.168 56.287 0.195 0.000 0.941 638 K CB 0.658 33.167 32.500 0.015 0.000 0.966 638 K HN 0.552 nan 8.250 nan 0.000 0.480 639 D N 1.877 122.319 120.400 0.070 0.000 2.194 639 D HA -0.110 4.531 4.640 0.001 0.000 0.204 639 D C 1.711 178.000 176.300 -0.018 0.000 0.964 639 D CA 0.814 54.844 54.000 0.049 0.000 0.846 639 D CB 0.125 40.935 40.800 0.018 0.000 0.962 639 D HN 0.421 nan 8.370 nan 0.000 0.490 640 L N 1.227 122.378 121.223 -0.119 0.000 2.261 640 L HA -0.092 4.249 4.340 0.001 0.000 0.216 640 L C 0.344 177.204 176.870 -0.016 0.000 1.114 640 L CA 0.790 55.546 54.840 -0.140 0.000 0.777 640 L CB -0.579 41.249 42.059 -0.386 0.000 0.910 640 L HN -0.021 nan 8.230 nan 0.000 0.440 641 T N 0.148 114.673 114.554 -0.049 0.000 2.829 641 T HA -0.029 4.322 4.350 0.001 0.000 0.293 641 T C 0.910 175.367 174.700 -0.405 0.000 0.970 641 T CA -0.047 61.873 62.100 -0.299 0.000 1.168 641 T CB 1.236 69.585 68.868 -0.866 0.000 0.911 641 T HN 0.049 nan 8.240 nan 0.000 0.535 642 K N 1.263 121.513 120.400 -0.251 0.000 2.166 642 K HA 0.199 4.520 4.320 0.001 0.000 0.201 642 K C 0.863 177.362 176.600 -0.168 0.000 1.052 642 K CA 0.429 56.630 56.287 -0.144 0.000 0.969 642 K CB 0.151 32.618 32.500 -0.055 0.000 0.761 642 K HN 0.931 nan 8.250 nan 0.000 0.459 643 c N -2.899 115.547 118.600 -0.257 0.000 3.295 643 c HA 0.690 5.260 4.570 0.001 0.000 0.341 643 c C -1.821 172.155 174.090 -0.191 0.000 1.418 643 c CA -1.821 54.413 56.329 -0.159 0.000 1.240 643 c CB 0.195 42.701 42.510 -0.006 0.000 1.562 643 c HN 0.047 nan 8.230 nan 0.000 0.457 644 L N 2.006 123.196 121.223 -0.054 0.000 2.381 644 L HA 0.841 5.182 4.340 0.001 0.000 0.274 644 L C -0.447 176.466 176.870 0.072 0.000 0.988 644 L CA -0.326 54.482 54.840 -0.054 0.000 0.824 644 L CB 1.394 43.448 42.059 -0.009 0.000 1.263 644 L HN 0.824 nan 8.230 nan 0.000 0.410 645 F N 1.396 121.358 119.950 0.019 0.000 2.470 645 F HA 0.666 5.194 4.527 0.000 0.000 0.329 645 F C -0.072 175.772 175.800 0.074 0.000 1.072 645 F CA -1.132 56.893 58.000 0.041 0.000 0.989 645 F CB 0.724 39.739 39.000 0.024 0.000 1.193 645 F HN 0.269 nan 8.300 nan 0.000 0.481 646 K N 2.285 122.846 120.400 0.269 0.000 2.379 646 K HA 0.358 4.679 4.320 0.001 0.000 0.284 646 K C -0.976 175.780 176.600 0.260 0.000 1.044 646 K CA -0.469 55.926 56.287 0.181 0.000 0.974 646 K CB 1.245 33.832 32.500 0.145 0.000 0.962 646 K HN 0.566 nan 8.250 nan 0.000 0.474 647 V N 5.483 125.494 119.914 0.163 0.000 2.339 647 V HA 0.098 4.218 4.120 0.001 0.000 0.261 647 V C 0.756 176.935 176.094 0.142 0.000 1.058 647 V CA -0.630 61.795 62.300 0.208 0.000 0.897 647 V CB 0.352 32.251 31.823 0.127 0.000 1.052 647 V HN 0.740 nan 8.190 nan 0.000 0.480 648 R N 3.044 123.632 120.500 0.146 0.000 2.465 648 R HA -0.149 4.191 4.340 0.001 0.000 0.273 648 R C 0.314 176.661 176.300 0.077 0.000 0.952 648 R CA 0.251 56.411 56.100 0.100 0.000 1.103 648 R CB 0.388 30.744 30.300 0.094 0.000 0.861 648 R HN 0.830 nan 8.270 nan 0.000 0.425 649 E N 1.524 121.759 120.200 0.058 0.000 2.392 649 E HA 0.173 4.524 4.350 0.001 0.000 0.264 649 E C 0.734 177.359 176.600 0.042 0.000 1.024 649 E CA 1.328 57.755 56.400 0.045 0.000 0.903 649 E CB 0.542 30.265 29.700 0.037 0.000 0.963 649 E HN 0.702 nan 8.360 nan 0.000 0.432 650 G N 3.030 111.852 108.800 0.037 0.000 2.157 650 G HA2 -0.262 3.699 3.960 0.001 0.000 0.248 650 G HA3 -0.262 3.699 3.960 0.001 0.000 0.248 650 G C 0.243 175.168 174.900 0.042 0.000 0.979 650 G CA 0.282 45.403 45.100 0.034 0.000 0.650 650 G HN 0.628 nan 8.290 nan 0.000 0.529 651 T N 1.752 116.342 114.554 0.059 0.000 2.834 651 T HA 0.475 4.826 4.350 0.001 0.000 0.298 651 T C 0.614 175.363 174.700 0.081 0.000 0.966 651 T CA 0.960 63.108 62.100 0.081 0.000 1.141 651 T CB 1.536 70.482 68.868 0.130 0.000 0.905 651 T HN 0.248 nan 8.240 nan 0.000 0.535 652 T N 1.724 116.319 114.554 0.068 0.000 2.918 652 T HA 0.283 4.633 4.350 0.001 0.000 0.283 652 T C 1.278 176.046 174.700 0.114 0.000 1.001 652 T CA -0.677 61.466 62.100 0.071 0.000 1.041 652 T CB 0.297 69.159 68.868 -0.011 0.000 1.028 652 T HN 0.673 nan 8.240 nan 0.000 0.511 653 Y N 1.937 122.277 120.300 0.067 0.000 2.165 653 Y HA 0.022 4.572 4.550 0.000 0.000 0.286 653 Y C 2.237 178.269 175.900 0.219 0.000 1.155 653 Y CA 1.374 59.557 58.100 0.137 0.000 1.164 653 Y CB -0.387 38.129 38.460 0.094 0.000 0.978 653 Y HN 0.382 nan 8.280 nan 0.000 0.513 654 K N 1.165 121.124 120.400 -0.734 0.000 2.152 654 K HA -0.206 4.114 4.320 0.001 0.000 0.206 654 K C 1.611 178.103 176.600 -0.180 0.000 1.048 654 K CA 1.968 57.908 56.287 -0.577 0.000 0.933 654 K CB -0.193 31.757 32.500 -0.917 0.000 0.721 654 K HN 0.694 nan 8.250 nan 0.000 0.447 655 E N -1.102 119.046 120.200 -0.087 0.000 2.112 655 E HA -0.090 4.260 4.350 0.001 0.000 0.190 655 E C 1.800 178.453 176.600 0.089 0.000 0.979 655 E CA 0.605 57.004 56.400 -0.003 0.000 0.814 655 E CB -0.187 29.521 29.700 0.013 0.000 0.762 655 E HN 0.195 nan 8.360 nan 0.000 0.460 656 F N 1.425 121.397 119.950 0.037 0.000 2.075 656 F HA -0.151 4.376 4.527 0.000 0.000 0.297 656 F C 1.815 177.671 175.800 0.093 0.000 1.113 656 F CA 1.353 59.402 58.000 0.081 0.000 1.218 656 F CB -0.138 38.926 39.000 0.107 0.000 0.984 656 F HN -0.088 nan 8.300 nan 0.000 0.472 657 L N 0.248 121.627 121.223 0.260 0.000 2.353 657 L HA 0.040 4.381 4.340 0.001 0.000 0.220 657 L C 1.130 178.083 176.870 0.138 0.000 1.133 657 L CA 0.601 55.573 54.840 0.220 0.000 0.798 657 L CB -1.614 40.754 42.059 0.515 0.000 0.922 657 L HN 0.463 nan 8.230 nan 0.000 0.445 658 G N 0.244 109.095 108.800 0.085 0.000 2.716 658 G HA2 -0.306 3.655 3.960 0.001 0.000 0.686 658 G HA3 -0.306 3.655 3.960 0.001 0.000 0.686 658 G C 0.008 175.002 174.900 0.156 0.000 1.337 658 G CA 0.013 45.156 45.100 0.071 0.000 0.829 658 G HN 0.324 nan 8.290 nan 0.000 0.599 659 D N 0.195 120.656 120.400 0.101 0.000 2.123 659 D HA -0.006 4.635 4.640 0.001 0.000 0.200 659 D C 2.325 178.712 176.300 0.144 0.000 0.976 659 D CA 1.682 55.759 54.000 0.128 0.000 0.831 659 D CB -0.007 40.829 40.800 0.060 0.000 0.974 659 D HN 0.564 nan 8.370 nan 0.000 0.469 660 K N -0.541 119.921 120.400 0.103 0.000 2.044 660 K HA -0.147 4.174 4.320 0.001 0.000 0.210 660 K C 1.885 178.544 176.600 0.098 0.000 1.049 660 K CA 1.263 57.598 56.287 0.081 0.000 0.927 660 K CB -0.365 32.173 32.500 0.063 0.000 0.713 660 K HN 0.191 nan 8.250 nan 0.000 0.443 661 F N 0.023 119.987 119.950 0.023 0.000 2.163 661 F HA -0.131 4.396 4.527 0.001 0.000 0.297 661 F C 2.177 177.986 175.800 0.015 0.000 1.094 661 F CA 0.791 58.797 58.000 0.010 0.000 1.290 661 F CB -0.364 38.646 39.000 0.018 0.000 1.017 661 F HN 0.023 nan 8.300 nan 0.000 0.483 662 Y N 1.185 121.511 120.300 0.043 0.000 2.193 662 Y HA -0.290 4.262 4.550 0.003 0.000 0.285 662 Y C 2.384 178.215 175.900 -0.116 0.000 1.166 662 Y CA 2.354 60.459 58.100 0.007 0.000 1.181 662 Y CB -0.965 37.537 38.460 0.070 0.000 0.976 662 Y HN 0.058 nan 8.280 nan 0.000 0.520 663 T N -0.603 113.862 114.554 -0.147 0.000 2.708 663 T HA -0.176 4.175 4.350 0.001 0.000 0.266 663 T C 2.077 176.595 174.700 -0.304 0.000 1.037 663 T CA 1.722 63.715 62.100 -0.178 0.000 1.146 663 T CB -0.787 68.050 68.868 -0.052 0.000 0.865 663 T HN 0.201 nan 8.240 nan 0.000 0.435 664 V N 1.773 121.464 119.914 -0.371 0.000 2.295 664 V HA -0.164 3.956 4.120 0.001 0.000 0.246 664 V C 2.325 178.127 176.094 -0.488 0.000 1.049 664 V CA 1.628 63.695 62.300 -0.388 0.000 1.024 664 V CB -0.764 30.805 31.823 -0.423 0.000 0.648 664 V HN 0.471 nan 8.190 nan 0.000 0.447 665 I N -0.341 119.787 120.570 -0.737 0.000 2.493 665 I HA -0.090 4.081 4.170 0.001 0.000 0.254 665 I C 1.522 177.269 176.117 -0.618 0.000 1.160 665 I CA 1.136 61.994 61.300 -0.736 0.000 1.445 665 I CB -0.615 36.709 38.000 -1.126 0.000 1.086 665 I HN 0.038 nan 8.210 nan 0.000 0.433 666 S N 0.282 115.630 115.700 -0.587 0.000 3.697 666 S HA 0.298 4.769 4.470 0.001 0.000 0.207 666 S C 0.933 175.417 174.600 -0.194 0.000 1.459 666 S CA 0.039 58.030 58.200 -0.347 0.000 1.122 666 S CB -0.177 62.793 63.200 -0.384 0.000 1.311 666 S HN 0.389 nan 8.310 nan 0.000 0.487 667 S N 0.040 115.640 115.700 -0.167 0.000 3.324 667 S HA 0.132 4.603 4.470 0.001 0.000 0.229 667 S C 0.978 175.524 174.600 -0.090 0.000 1.043 667 S CA -0.311 57.857 58.200 -0.052 0.000 1.107 667 S CB -0.144 63.040 63.200 -0.027 0.000 1.057 667 S HN 0.352 nan 8.310 nan 0.000 0.418 668 L N 2.288 123.388 121.223 -0.205 0.000 2.465 668 L HA 0.221 4.561 4.340 0.001 0.000 0.224 668 L C 1.491 178.267 176.870 -0.157 0.000 1.145 668 L CA 1.358 56.038 54.840 -0.266 0.000 0.834 668 L CB -0.798 41.132 42.059 -0.215 0.000 0.944 668 L HN 0.183 nan 8.230 nan 0.000 0.451 669 K N -0.430 119.899 120.400 -0.118 0.000 2.444 669 K HA 0.082 4.402 4.320 0.001 0.000 0.193 669 K C 1.791 178.388 176.600 -0.006 0.000 1.024 669 K CA 0.466 56.725 56.287 -0.046 0.000 1.077 669 K CB -0.016 32.465 32.500 -0.031 0.000 0.833 669 K HN 0.379 nan 8.250 nan 0.000 0.517 670 T N -1.555 112.991 114.554 -0.013 0.000 3.014 670 T HA 0.006 4.357 4.350 0.001 0.000 0.263 670 T C 1.614 176.321 174.700 0.012 0.000 1.078 670 T CA 0.094 62.206 62.100 0.020 0.000 1.135 670 T CB -0.409 68.491 68.868 0.054 0.000 0.895 670 T HN -0.014 nan 8.240 nan 0.000 0.480 671 c N 2.345 120.924 118.600 -0.034 0.000 2.640 671 c HA 0.212 4.782 4.570 0.001 0.000 0.330 671 c C 1.269 175.374 174.090 0.025 0.000 1.416 671 c CA -1.117 55.200 56.329 -0.020 0.000 2.396 671 c CB -0.562 41.923 42.510 -0.042 0.000 2.330 671 c HN 0.487 nan 8.230 nan 0.000 0.704 672 N N 2.590 121.321 118.700 0.052 0.000 2.355 672 N HA 0.035 4.775 4.740 0.001 0.000 0.282 672 N C -2.406 173.138 175.510 0.057 0.000 1.374 672 N CA 0.081 53.165 53.050 0.057 0.000 0.929 672 N CB -0.069 38.463 38.487 0.075 0.000 1.278 672 N HN 0.464 nan 8.380 nan 0.000 0.491 673 P HA 0.123 nan 4.420 nan 0.000 0.286 673 P C -0.203 177.114 177.300 0.028 0.000 1.269 673 P CA -0.605 62.519 63.100 0.041 0.000 0.787 673 P CB 0.742 32.470 31.700 0.046 0.000 0.920 674 S N 1.190 116.903 115.700 0.021 0.000 2.573 674 S HA -0.012 4.459 4.470 0.001 0.000 0.277 674 S C 1.008 175.609 174.600 0.001 0.000 1.346 674 S CA -0.110 58.091 58.200 0.002 0.000 1.034 674 S CB 0.301 63.496 63.200 -0.008 0.000 0.879 674 S HN 0.572 nan 8.310 nan 0.000 0.528 675 D N 0.999 121.392 120.400 -0.012 0.000 2.218 675 D HA -0.169 4.471 4.640 0.001 0.000 0.204 675 D C 1.427 177.718 176.300 -0.016 0.000 0.976 675 D CA 0.814 54.804 54.000 -0.017 0.000 0.853 675 D CB -0.414 40.370 40.800 -0.028 0.000 0.939 675 D HN 0.509 nan 8.370 nan 0.000 0.481 676 I N -0.252 120.308 120.570 -0.016 0.000 2.233 676 I HA -0.146 4.024 4.170 0.001 0.000 0.243 676 I C 2.065 178.179 176.117 -0.004 0.000 1.093 676 I CA 0.613 61.902 61.300 -0.018 0.000 1.380 676 I CB -0.287 37.697 38.000 -0.027 0.000 1.067 676 I HN -0.034 nan 8.210 nan 0.000 0.413 677 L N 0.660 121.891 121.223 0.013 0.000 2.013 677 L HA -0.279 4.062 4.340 0.001 0.000 0.212 677 L C 2.477 179.370 176.870 0.038 0.000 1.073 677 L CA 2.004 56.864 54.840 0.033 0.000 0.753 677 L CB -1.478 40.623 42.059 0.070 0.000 0.890 677 L HN 0.443 nan 8.230 nan 0.000 0.432 678 Q N -1.547 118.274 119.800 0.036 0.000 2.030 678 Q HA -0.278 4.063 4.340 0.001 0.000 0.204 678 Q C 2.211 178.245 176.000 0.057 0.000 0.986 678 Q CA 1.928 57.757 55.803 0.045 0.000 0.843 678 Q CB -0.308 28.443 28.738 0.023 0.000 0.904 678 Q HN 0.486 nan 8.270 nan 0.000 0.420 679 M N 0.331 119.949 119.600 0.029 0.000 2.082 679 M HA -0.221 4.260 4.480 0.001 0.000 0.258 679 M C 1.989 178.346 176.300 0.093 0.000 1.069 679 M CA 1.663 56.986 55.300 0.038 0.000 1.102 679 M CB -0.456 32.145 32.600 0.002 0.000 1.336 679 M HN 0.386 nan 8.290 nan 0.000 0.404 680 c N -0.175 118.454 118.600 0.048 0.000 2.435 680 c HA -0.049 4.522 4.570 0.001 0.000 0.279 680 c C 2.974 177.092 174.090 0.047 0.000 1.321 680 c CA 1.098 57.446 56.329 0.032 0.000 1.752 680 c CB -1.091 41.402 42.510 -0.028 0.000 1.959 680 c HN 0.645 nan 8.230 nan 0.000 0.500 681 S N -0.130 115.608 115.700 0.063 0.000 2.423 681 S HA -0.106 4.365 4.470 0.001 0.000 0.231 681 S C 1.446 176.116 174.600 0.116 0.000 1.014 681 S CA 0.875 59.117 58.200 0.070 0.000 0.965 681 S CB -0.351 62.896 63.200 0.079 0.000 0.785 681 S HN 0.677 nan 8.310 nan 0.000 0.495 682 F N 1.836 121.791 119.950 0.009 0.000 2.206 682 F HA 0.061 4.589 4.527 0.002 0.000 0.298 682 F C 1.612 177.420 175.800 0.012 0.000 1.090 682 F CA 1.176 59.188 58.000 0.020 0.000 1.323 682 F CB -0.140 38.883 39.000 0.039 0.000 1.028 682 F HN 0.116 nan 8.300 nan 0.000 0.492 683 L N -0.136 121.199 121.223 0.187 0.000 2.156 683 L HA -0.133 4.208 4.340 0.001 0.000 0.208 683 L C 2.341 179.186 176.870 -0.042 0.000 1.095 683 L CA 1.443 56.316 54.840 0.055 0.000 0.770 683 L CB -0.679 41.432 42.059 0.087 0.000 0.914 683 L HN 0.211 nan 8.230 nan 0.000 0.439 684 E N 0.353 120.535 120.200 -0.030 0.000 2.299 684 E HA -0.075 4.276 4.350 0.001 0.000 0.193 684 E C 1.587 178.147 176.600 -0.068 0.000 0.998 684 E CA 0.595 56.970 56.400 -0.042 0.000 0.851 684 E CB 0.195 29.882 29.700 -0.021 0.000 0.795 684 E HN 0.406 nan 8.360 nan 0.000 0.492 685 G N 1.157 109.899 108.800 -0.097 0.000 3.820 685 G HA2 0.089 4.049 3.960 0.001 0.000 0.293 685 G HA3 0.089 4.049 3.960 0.001 0.000 0.293 685 G C 0.118 174.869 174.900 -0.249 0.000 1.152 685 G CA -0.373 44.649 45.100 -0.130 0.000 0.921 685 G HN -0.069 nan 8.290 nan 0.000 0.544 686 K N 0.000 120.234 120.400 -0.277 0.000 2.780 686 K HA 0.000 4.321 4.320 0.001 0.000 0.191 686 K CA 0.000 56.076 56.287 -0.352 0.000 0.838 686 K CB 0.000 32.307 32.500 -0.322 0.000 1.064 686 K HN 0.000 nan 8.250 nan 0.000 0.543