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 2x10_1_A DATA FIRST_RESID 26 DATA SEQUENCE AKEVVLLDFA AAXXXLGWLT HPYGKGWDLX QNIXNDXPIY XYSVcNVXSG DATA SEQUENCE DQDNWLRTNW VYRGEAERIF IELKFTVRDc NSFPGGASSc KETFNLYYAE DATA SEQUENCE SDLDYGTNFQ KRLFTKIDTI APDEITVSXX XXXXXXXLNV EERSVGPLTR DATA SEQUENCE KGFYLAFQDI GAcVALLSVR VYYKKcPELL QGLAHFPETI AGSDAPSLAT DATA SEQUENCE VAGTcVDHAV VPPGGEEPRX HcAVDGEWLV PIGQcLcQAG YEKVEDAcQA DATA SEQUENCE cSPGFFKFEA SESPcLEcPE HTLPSPEGAT ScEcEEGFFR APQDPASXPc DATA SEQUENCE TRPPSAPHYL TAVGXGAKVE LRWTPPQDSG GREDIVYSVT cEQXXXXXXX DATA SEQUENCE CGPcEASVRY SEPPHGLTRT SVTVSDLEPH XNYTFTVEAR NGVSGLVTSR DATA SEQUENCE SFRTASVSIN QTEPPKVRLE GRSTTSLSVS WSIPPPQQSR VWKYEVTYRK DATA SEQUENCE KGDSNSYNVR RTEGFSVTLD DLAPDTTYLV QVQALTQEGQ GAGSKVHEFQ DATA SEQUENCE TLSP 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 26 A HA 0.000 nan 4.320 nan 0.000 0.244 26 A C 0.000 177.559 177.584 -0.042 0.000 1.274 26 A CA 0.000 52.014 52.037 -0.038 0.000 0.836 26 A CB 0.000 19.006 19.000 0.010 0.000 0.831 27 K N 1.865 122.247 120.400 -0.030 0.000 2.550 27 K HA 0.118 4.443 4.320 0.010 0.000 0.280 27 K C -0.133 176.444 176.600 -0.040 0.000 0.987 27 K CA 0.852 57.119 56.287 -0.032 0.000 1.048 27 K CB 0.353 32.847 32.500 -0.011 0.000 0.879 27 K HN 0.740 nan 8.250 nan 0.000 0.491 28 E N 0.792 120.949 120.200 -0.073 0.000 2.275 28 E HA 0.272 4.628 4.350 0.010 0.000 0.270 28 E C -1.119 175.387 176.600 -0.157 0.000 0.882 28 E CA -0.814 55.540 56.400 -0.076 0.000 0.758 28 E CB 2.165 31.780 29.700 -0.141 0.000 1.195 28 E HN 0.182 nan 8.360 nan 0.000 0.419 29 V N 3.066 122.780 119.914 -0.333 0.000 2.370 29 V HA 0.259 4.385 4.120 0.010 0.000 0.279 29 V C -0.008 175.919 176.094 -0.278 0.000 1.029 29 V CA -0.851 61.193 62.300 -0.428 0.000 0.870 29 V CB 1.175 32.488 31.823 -0.849 0.000 0.984 29 V HN 0.419 nan 8.190 nan 0.000 0.451 30 V N 6.410 126.275 119.914 -0.081 0.000 2.465 30 V HA 0.316 4.442 4.120 0.010 0.000 0.279 30 V C 0.777 176.927 176.094 0.095 0.000 1.045 30 V CA -0.219 62.115 62.300 0.057 0.000 0.938 30 V CB 1.371 33.227 31.823 0.055 0.000 0.986 30 V HN 0.763 nan 8.190 nan 0.000 0.467 31 L N 4.083 125.409 121.223 0.172 0.000 2.470 31 L HA 0.419 4.765 4.340 0.010 0.000 0.219 31 L C 0.038 176.990 176.870 0.137 0.000 1.071 31 L CA 0.595 55.539 54.840 0.174 0.000 0.850 31 L CB 0.513 42.725 42.059 0.254 0.000 1.040 31 L HN 0.520 nan 8.230 nan 0.000 0.475 32 L N -0.531 120.800 121.223 0.179 0.000 2.588 32 L HA 0.513 4.859 4.340 0.010 0.000 0.263 32 L C -2.075 174.948 176.870 0.256 0.000 0.935 32 L CA -0.231 54.725 54.840 0.193 0.000 0.891 32 L CB 1.906 44.056 42.059 0.152 0.000 1.318 32 L HN -0.213 nan 8.230 nan 0.000 0.409 33 D N 3.221 123.778 120.400 0.262 0.000 2.421 33 D HA 0.196 4.841 4.640 0.010 0.000 0.254 33 D C 0.453 176.945 176.300 0.320 0.000 1.238 33 D CA -0.337 53.823 54.000 0.267 0.000 0.919 33 D CB 0.781 41.680 40.800 0.165 0.000 1.152 33 D HN 0.426 nan 8.370 nan 0.000 0.552 34 F N 4.166 124.287 119.950 0.285 0.000 2.126 34 F HA -0.101 4.431 4.527 0.009 0.000 0.299 34 F C 1.858 177.751 175.800 0.154 0.000 1.096 34 F CA 1.957 60.111 58.000 0.257 0.000 1.255 34 F CB -0.220 38.936 39.000 0.259 0.000 0.997 34 F HN 0.399 nan 8.300 nan 0.000 0.479 35 A N 0.800 123.560 122.820 -0.100 0.000 1.873 35 A HA -0.149 4.177 4.320 0.010 0.000 0.218 35 A C 2.503 179.983 177.584 -0.172 0.000 1.193 35 A CA 2.439 54.343 52.037 -0.221 0.000 0.629 35 A CB -1.713 17.276 19.000 -0.018 0.000 0.826 35 A HN 0.576 nan 8.150 nan 0.000 0.447 36 A N -0.798 121.990 122.820 -0.053 0.000 1.902 36 A HA 0.321 4.647 4.320 0.010 0.000 0.217 36 A C 1.702 179.273 177.584 -0.021 0.000 1.181 36 A CA 1.884 53.910 52.037 -0.018 0.000 0.623 36 A CB -1.321 17.693 19.000 0.024 0.000 0.818 36 A HN 2.355 nan 8.150 nan 0.000 0.443 42 G N 1.818 110.705 108.800 0.145 0.000 2.547 42 G HA2 0.536 4.502 3.960 0.010 0.000 0.327 42 G HA3 0.536 4.502 3.960 0.010 0.000 0.327 42 G C -0.791 174.313 174.900 0.340 0.000 1.118 42 G CA -0.311 44.877 45.100 0.148 0.000 1.022 42 G HN 0.447 nan 8.290 nan 0.000 0.464 43 W N 1.451 122.873 121.300 0.204 0.000 2.030 43 W HA 0.375 5.041 4.660 0.009 0.000 0.360 43 W C 0.608 177.155 176.519 0.047 0.000 1.370 43 W CA -1.425 55.956 57.345 0.059 0.000 1.433 43 W CB 0.391 29.763 29.460 -0.146 0.000 1.204 43 W HN 0.318 nan 8.180 nan 0.000 0.649 44 L N 2.599 123.961 121.223 0.233 0.000 2.319 44 L HA 0.323 4.669 4.340 0.010 0.000 0.280 44 L C 0.568 177.355 176.870 -0.138 0.000 1.099 44 L CA 0.004 54.887 54.840 0.072 0.000 0.828 44 L CB 0.349 42.422 42.059 0.024 0.000 1.150 44 L HN 0.453 nan 8.230 nan 0.000 0.442 45 T N 0.958 115.351 114.554 -0.268 0.000 2.902 45 T HA 0.403 4.759 4.350 0.010 0.000 0.283 45 T C -0.535 173.747 174.700 -0.697 0.000 1.009 45 T CA -0.632 61.266 62.100 -0.336 0.000 1.051 45 T CB 1.289 70.082 68.868 -0.125 0.000 0.999 45 T HN 0.737 nan 8.240 nan 0.000 0.474 46 H N 2.057 120.850 119.070 -0.463 0.000 3.083 46 H HA 0.358 4.920 4.556 0.010 0.000 0.339 46 H C -3.274 172.007 175.328 -0.077 0.000 1.020 46 H CA -1.537 54.280 56.048 -0.386 0.000 1.360 46 H CB 2.340 31.811 29.762 -0.485 0.000 1.811 46 H HN 0.445 nan 8.280 nan 0.000 0.493 47 P HA 0.142 nan 4.420 nan 0.000 0.276 47 P C -0.620 176.550 177.300 -0.217 0.000 1.244 47 P CA -0.197 62.623 63.100 -0.467 0.000 0.801 47 P CB 0.774 32.287 31.700 -0.312 0.000 1.006 48 Y N 0.616 120.875 120.300 -0.067 0.000 2.497 48 Y HA 0.341 4.897 4.550 0.010 0.000 0.334 48 Y C 1.960 177.857 175.900 -0.005 0.000 1.199 48 Y CA 1.963 60.062 58.100 -0.001 0.000 1.425 48 Y CB -0.099 38.369 38.460 0.014 0.000 1.291 48 Y HN 0.801 nan 8.280 nan 0.000 0.562 49 G N 0.078 108.970 108.800 0.153 0.000 3.597 49 G HA2 -0.243 3.723 3.960 0.010 0.000 0.256 49 G HA3 -0.243 3.723 3.960 0.010 0.000 0.256 49 G C 0.423 175.346 174.900 0.039 0.000 1.792 49 G CA -0.201 44.950 45.100 0.083 0.000 1.219 49 G HN 0.772 nan 8.290 nan 0.000 0.577 50 K N 0.949 121.355 120.400 0.010 0.000 2.234 50 K HA 0.701 5.027 4.320 0.010 0.000 0.251 50 K C 2.204 178.786 176.600 -0.032 0.000 1.011 50 K CA 1.578 57.852 56.287 -0.022 0.000 0.889 50 K CB -0.450 32.029 32.500 -0.035 0.000 1.011 50 K HN 2.792 nan 8.250 nan 0.000 0.505 51 G N -0.814 107.940 108.800 -0.077 0.000 2.499 51 G HA2 -0.172 3.794 3.960 0.010 0.000 0.232 51 G HA3 -0.172 3.794 3.960 0.010 0.000 0.232 51 G C -0.144 174.692 174.900 -0.107 0.000 1.251 51 G CA 0.002 45.025 45.100 -0.128 0.000 0.917 51 G HN 1.198 nan 8.290 nan 0.000 0.580 52 W N 1.316 122.593 121.300 -0.037 0.000 2.274 52 W HA 0.471 5.137 4.660 0.010 0.000 0.345 52 W C 0.464 177.005 176.519 0.037 0.000 1.265 52 W CA 1.566 58.912 57.345 0.001 0.000 1.293 52 W CB 0.435 29.901 29.460 0.010 0.000 1.175 52 W HN 0.721 nan 8.180 nan 0.000 0.577 53 D N 2.049 122.634 120.400 0.308 0.000 2.931 53 D HA 0.166 4.812 4.640 0.010 0.000 0.215 53 D C -1.173 175.124 176.300 -0.006 0.000 1.297 53 D CA -0.756 53.324 54.000 0.133 0.000 0.892 53 D CB 1.008 41.838 40.800 0.051 0.000 1.642 53 D HN 0.114 nan 8.370 nan 0.000 0.560 57 N N 0.482 119.131 118.700 -0.085 0.000 3.091 57 N HA 0.632 5.378 4.740 0.010 0.000 0.329 57 N C -0.969 174.484 175.510 -0.094 0.000 1.430 57 N CA -0.453 52.556 53.050 -0.070 0.000 0.755 57 N CB 1.180 39.637 38.487 -0.050 0.000 1.626 57 N HN 0.390 nan 8.380 nan 0.000 0.614 64 I N 2.080 122.343 120.570 -0.513 0.000 2.468 64 I HA 0.326 4.502 4.170 0.010 0.000 0.285 64 I C -0.700 175.166 176.117 -0.418 0.000 1.039 64 I CA -0.610 60.442 61.300 -0.414 0.000 1.074 64 I CB 1.166 39.052 38.000 -0.190 0.000 1.228 64 I HN 0.326 nan 8.210 nan 0.000 0.436 68 S N 1.793 117.654 115.700 0.269 0.000 2.648 68 S HA 0.862 5.338 4.470 0.010 0.000 0.305 68 S C -1.303 173.227 174.600 -0.116 0.000 1.094 68 S CA -0.934 57.317 58.200 0.085 0.000 0.983 68 S CB 2.457 65.668 63.200 0.019 0.000 1.101 68 S HN 0.509 nan 8.310 nan 0.000 0.514 69 V N 0.713 120.404 119.914 -0.372 0.000 2.789 69 V HA 0.536 4.662 4.120 0.010 0.000 0.300 69 V C -1.577 174.300 176.094 -0.363 0.000 1.184 69 V CA -0.438 61.580 62.300 -0.470 0.000 0.930 69 V CB 1.468 32.742 31.823 -0.916 0.000 1.041 69 V HN 1.043 nan 8.190 nan 0.000 0.430 70 c N 6.483 124.927 118.600 -0.260 0.000 3.465 70 c HA 0.547 5.123 4.570 0.010 0.000 0.193 70 c C 0.007 173.939 174.090 -0.263 0.000 1.515 70 c CA -0.531 55.658 56.329 -0.234 0.000 1.340 70 c CB -1.244 41.182 42.510 -0.141 0.000 1.928 70 c HN 0.858 nan 8.230 nan 0.000 0.510 71 N N 1.720 120.260 118.700 -0.267 0.000 3.271 71 N HA 0.217 4.963 4.740 0.010 0.000 0.303 71 N C 0.384 175.750 175.510 -0.239 0.000 1.415 71 N CA 0.062 52.974 53.050 -0.229 0.000 1.159 71 N CB 0.835 39.210 38.487 -0.187 0.000 1.432 71 N HN 0.639 nan 8.380 nan 0.000 0.521 75 G N 1.672 110.448 108.800 -0.040 0.000 2.553 75 G HA2 -0.119 3.846 3.960 0.010 0.000 0.218 75 G HA3 -0.119 3.846 3.960 0.010 0.000 0.218 75 G C -0.192 174.693 174.900 -0.025 0.000 1.195 75 G CA 1.185 46.268 45.100 -0.028 0.000 0.779 75 G HN 0.627 nan 8.290 nan 0.000 0.577 76 D N 0.086 120.473 120.400 -0.021 0.000 2.408 76 D HA 0.482 5.127 4.640 0.010 0.000 0.243 76 D C -0.511 175.779 176.300 -0.017 0.000 1.075 76 D CA -0.227 53.767 54.000 -0.011 0.000 0.832 76 D CB 1.524 42.327 40.800 0.005 0.000 1.162 76 D HN -0.021 nan 8.370 nan 0.000 0.515 77 Q N 1.357 121.144 119.800 -0.021 0.000 2.331 77 Q HA 0.386 4.731 4.340 0.010 0.000 0.267 77 Q C -1.040 174.958 176.000 -0.003 0.000 1.006 77 Q CA -0.531 55.250 55.803 -0.036 0.000 0.818 77 Q CB 2.393 31.079 28.738 -0.086 0.000 1.276 77 Q HN 0.302 nan 8.270 nan 0.000 0.450 78 D N 2.192 122.611 120.400 0.031 0.000 2.735 78 D HA 0.180 4.825 4.640 0.010 0.000 0.291 78 D C -1.185 175.219 176.300 0.173 0.000 1.205 78 D CA -0.214 53.852 54.000 0.109 0.000 0.777 78 D CB 0.134 41.057 40.800 0.205 0.000 1.234 78 D HN 0.385 nan 8.370 nan 0.000 0.520 79 N N 1.141 119.865 118.700 0.040 0.000 2.422 79 N HA 0.438 5.184 4.740 0.010 0.000 0.266 79 N C -0.967 174.699 175.510 0.261 0.000 1.007 79 N CA -0.596 52.530 53.050 0.127 0.000 0.941 79 N CB 0.981 39.400 38.487 -0.114 0.000 1.115 79 N HN 0.148 nan 8.380 nan 0.000 0.492 80 W N 2.559 123.993 121.300 0.223 0.000 2.573 80 W HA 0.504 5.170 4.660 0.009 0.000 0.326 80 W C -0.678 175.723 176.519 -0.197 0.000 1.049 80 W CA -0.752 56.597 57.345 0.006 0.000 1.220 80 W CB 1.038 30.342 29.460 -0.259 0.000 1.373 80 W HN 0.250 nan 8.180 nan 0.000 0.507 81 L N 4.682 125.758 121.223 -0.245 0.000 2.372 81 L HA 0.556 4.902 4.340 0.010 0.000 0.274 81 L C -0.596 176.146 176.870 -0.215 0.000 0.988 81 L CA -1.023 53.541 54.840 -0.459 0.000 0.833 81 L CB 1.071 42.407 42.059 -1.205 0.000 1.236 81 L HN 0.442 nan 8.230 nan 0.000 0.410 82 R N 2.553 122.920 120.500 -0.222 0.000 2.514 82 R HA 0.561 4.907 4.340 0.010 0.000 0.301 82 R C -0.505 175.687 176.300 -0.180 0.000 0.962 82 R CA -0.271 55.734 56.100 -0.159 0.000 0.882 82 R CB 1.408 31.575 30.300 -0.221 0.000 1.143 82 R HN 0.825 nan 8.270 nan 0.000 0.452 83 T N 1.486 115.829 114.554 -0.351 0.000 2.913 83 T HA 0.182 4.538 4.350 0.010 0.000 0.297 83 T C 0.440 174.904 174.700 -0.394 0.000 1.029 83 T CA -0.758 60.730 62.100 -1.020 0.000 1.104 83 T CB 0.666 68.950 68.868 -0.974 0.000 0.964 83 T HN 0.502 nan 8.240 nan 0.000 0.532 84 N N 0.991 119.393 118.700 -0.497 0.000 2.267 84 N HA -0.008 4.737 4.740 0.010 0.000 0.226 84 N C -0.334 175.170 175.510 -0.010 0.000 1.314 84 N CA -0.135 52.914 53.050 -0.001 0.000 0.887 84 N CB -0.002 38.525 38.487 0.066 0.000 1.120 84 N HN 0.799 nan 8.380 nan 0.000 0.440 85 W N 1.348 122.510 121.300 -0.230 0.000 2.397 85 W HA 0.144 4.810 4.660 0.010 0.000 0.327 85 W C -0.566 175.557 176.519 -0.660 0.000 1.421 85 W CA -0.216 56.696 57.345 -0.722 0.000 1.288 85 W CB -0.021 29.072 29.460 -0.612 0.000 1.312 85 W HN 0.027 nan 8.180 nan 0.000 0.559 86 V N 8.460 127.693 119.914 -1.135 0.000 2.427 86 V HA 0.132 4.257 4.120 0.010 0.000 0.286 86 V C -0.295 175.013 176.094 -1.310 0.000 1.034 86 V CA -1.176 60.468 62.300 -1.093 0.000 0.893 86 V CB 0.416 31.482 31.823 -1.262 0.000 0.982 86 V HN 0.181 nan 8.190 nan 0.000 0.452 87 Y N 3.361 123.225 120.300 -0.728 0.000 2.359 87 Y HA 0.217 4.772 4.550 0.010 0.000 0.330 87 Y C 1.451 177.169 175.900 -0.303 0.000 1.143 87 Y CA -0.024 57.726 58.100 -0.584 0.000 1.318 87 Y CB 0.578 38.860 38.460 -0.297 0.000 1.234 87 Y HN 0.566 nan 8.280 nan 0.000 0.522 88 R N 2.083 122.572 120.500 -0.018 0.000 2.161 88 R HA 0.093 4.438 4.340 0.010 0.000 0.213 88 R C 1.432 177.755 176.300 0.039 0.000 1.055 88 R CA 0.931 57.095 56.100 0.108 0.000 0.996 88 R CB -0.331 30.011 30.300 0.070 0.000 0.901 88 R HN 1.100 nan 8.270 nan 0.000 0.456 89 G N 0.993 109.805 108.800 0.021 0.000 2.629 89 G HA2 -0.339 3.626 3.960 0.010 0.000 0.313 89 G HA3 -0.339 3.626 3.960 0.010 0.000 0.313 89 G C 0.286 175.138 174.900 -0.080 0.000 1.217 89 G CA 0.548 45.633 45.100 -0.024 0.000 0.994 89 G HN 0.439 nan 8.290 nan 0.000 0.549 90 E N 1.445 121.551 120.200 -0.157 0.000 2.538 90 E HA 0.496 4.852 4.350 0.010 0.000 0.207 90 E C 1.275 177.666 176.600 -0.348 0.000 1.002 90 E CA 0.539 56.824 56.400 -0.192 0.000 0.952 90 E CB 0.457 30.075 29.700 -0.137 0.000 1.031 90 E HN 0.948 nan 8.360 nan 0.000 0.476 91 A N 1.152 123.648 122.820 -0.541 0.000 2.540 91 A HA -0.027 4.299 4.320 0.010 0.000 0.239 91 A C 1.118 178.484 177.584 -0.363 0.000 1.061 91 A CA 0.435 52.034 52.037 -0.730 0.000 0.758 91 A CB 0.424 19.059 19.000 -0.609 0.000 0.991 91 A HN 0.128 nan 8.150 nan 0.000 0.502 92 E N 0.641 120.655 120.200 -0.309 0.000 2.152 92 E HA 0.091 4.446 4.350 0.010 0.000 0.195 92 E C 0.743 177.190 176.600 -0.253 0.000 0.934 92 E CA 0.345 56.611 56.400 -0.224 0.000 0.869 92 E CB 0.245 29.844 29.700 -0.168 0.000 0.842 92 E HN 0.737 nan 8.360 nan 0.000 0.472 93 R N 1.383 121.722 120.500 -0.268 0.000 2.476 93 R HA 0.355 4.700 4.340 0.010 0.000 0.305 93 R C -0.830 175.174 176.300 -0.494 0.000 0.965 93 R CA -0.584 55.276 56.100 -0.400 0.000 0.867 93 R CB 0.753 30.809 30.300 -0.407 0.000 1.176 93 R HN 0.096 nan 8.270 nan 0.000 0.447 94 I N 0.260 120.487 120.570 -0.572 0.000 2.499 94 I HA 0.534 4.710 4.170 0.010 0.000 0.296 94 I C -1.160 174.520 176.117 -0.730 0.000 0.992 94 I CA -0.840 60.162 61.300 -0.498 0.000 1.297 94 I CB 0.989 38.710 38.000 -0.465 0.000 1.410 94 I HN 0.409 nan 8.210 nan 0.000 0.507 95 F N 5.294 124.970 119.950 -0.456 0.000 2.427 95 F HA 0.587 5.120 4.527 0.009 0.000 0.346 95 F C -0.023 175.580 175.800 -0.328 0.000 1.120 95 F CA -0.569 57.125 58.000 -0.509 0.000 1.033 95 F CB 1.586 40.062 39.000 -0.872 0.000 1.126 95 F HN 0.285 nan 8.300 nan 0.000 0.462 96 I N 2.918 123.508 120.570 0.033 0.000 2.328 96 I HA 0.278 4.453 4.170 0.010 0.000 0.287 96 I C -0.399 175.857 176.117 0.232 0.000 1.012 96 I CA -0.458 60.925 61.300 0.137 0.000 1.195 96 I CB 1.399 39.447 38.000 0.080 0.000 1.350 96 I HN 0.598 nan 8.210 nan 0.000 0.464 97 E N 8.139 128.530 120.200 0.318 0.000 2.145 97 E HA 0.601 4.956 4.350 0.010 0.000 0.270 97 E C -1.614 175.182 176.600 0.327 0.000 0.906 97 E CA -0.613 55.978 56.400 0.318 0.000 0.761 97 E CB 1.378 31.282 29.700 0.340 0.000 1.116 97 E HN 0.561 nan 8.360 nan 0.000 0.408 98 L N 3.902 125.334 121.223 0.348 0.000 2.362 98 L HA 0.561 4.907 4.340 0.010 0.000 0.271 98 L C -0.427 176.720 176.870 0.462 0.000 1.002 98 L CA -0.925 54.168 54.840 0.421 0.000 0.818 98 L CB 1.962 44.312 42.059 0.485 0.000 1.298 98 L HN 0.398 nan 8.230 nan 0.000 0.420 99 K N 3.866 124.519 120.400 0.422 0.000 2.502 99 K HA 0.658 4.984 4.320 0.010 0.000 0.254 99 K C -1.334 175.475 176.600 0.349 0.000 0.947 99 K CA -0.417 56.043 56.287 0.288 0.000 0.834 99 K CB 1.883 34.486 32.500 0.171 0.000 1.112 99 K HN 0.446 nan 8.250 nan 0.000 0.427 100 F N -1.365 118.672 119.950 0.144 0.000 2.685 100 F HA 0.652 5.184 4.527 0.009 0.000 0.315 100 F C -0.432 175.432 175.800 0.106 0.000 1.126 100 F CA -1.094 56.977 58.000 0.119 0.000 0.950 100 F CB 1.422 40.510 39.000 0.146 0.000 1.360 100 F HN 0.333 nan 8.300 nan 0.000 0.469 101 T N -0.872 113.813 114.554 0.219 0.000 2.924 101 T HA 0.838 5.194 4.350 0.010 0.000 0.291 101 T C -1.572 173.266 174.700 0.230 0.000 1.045 101 T CA -0.840 61.331 62.100 0.119 0.000 1.015 101 T CB 1.747 70.656 68.868 0.069 0.000 1.103 101 T HN 0.825 nan 8.240 nan 0.000 0.496 102 V N 2.194 122.214 119.914 0.176 0.000 2.668 102 V HA 0.513 4.638 4.120 0.010 0.000 0.304 102 V C -0.245 175.929 176.094 0.133 0.000 1.071 102 V CA -1.034 61.383 62.300 0.196 0.000 0.894 102 V CB 2.029 34.016 31.823 0.274 0.000 1.008 102 V HN 0.880 nan 8.190 nan 0.000 0.425 103 R N 1.652 122.238 120.500 0.144 0.000 2.531 103 R HA 0.319 4.664 4.340 0.010 0.000 0.273 103 R C -0.518 175.858 176.300 0.126 0.000 1.070 103 R CA -0.712 55.457 56.100 0.115 0.000 1.112 103 R CB 1.086 31.489 30.300 0.172 0.000 1.049 103 R HN 0.734 nan 8.270 nan 0.000 0.508 104 D N 0.511 120.930 120.400 0.031 0.000 2.348 104 D HA 0.010 4.655 4.640 0.010 0.000 0.253 104 D C 0.565 176.915 176.300 0.083 0.000 1.161 104 D CA -0.277 53.747 54.000 0.039 0.000 0.876 104 D CB 0.739 41.529 40.800 -0.017 0.000 1.160 104 D HN 0.372 nan 8.370 nan 0.000 0.459 105 c N 3.370 122.071 118.600 0.168 0.000 2.443 105 c HA -0.045 4.531 4.570 0.010 0.000 0.290 105 c C 1.633 175.835 174.090 0.186 0.000 1.476 105 c CA 0.096 56.580 56.329 0.258 0.000 1.772 105 c CB -1.207 41.400 42.510 0.162 0.000 1.714 105 c HN 0.565 nan 8.230 nan 0.000 0.562 106 N N 0.472 119.214 118.700 0.071 0.000 2.336 106 N HA -0.017 4.729 4.740 0.010 0.000 0.189 106 N C 1.621 177.111 175.510 -0.033 0.000 1.113 106 N CA 0.821 53.888 53.050 0.029 0.000 0.858 106 N CB -0.040 38.454 38.487 0.012 0.000 0.970 106 N HN 0.686 nan 8.380 nan 0.000 0.471 107 S N -1.116 114.496 115.700 -0.146 0.000 2.524 107 S HA 0.233 4.708 4.470 0.010 0.000 0.215 107 S C 0.266 174.660 174.600 -0.343 0.000 0.986 107 S CA -0.421 57.605 58.200 -0.289 0.000 0.911 107 S CB -0.196 62.746 63.200 -0.429 0.000 0.805 107 S HN -0.031 nan 8.310 nan 0.000 0.501 108 F N 2.717 122.664 119.950 -0.004 0.000 2.394 108 F HA 0.469 5.002 4.527 0.009 0.000 0.340 108 F C -1.280 174.517 175.800 -0.006 0.000 1.105 108 F CA -2.291 55.705 58.000 -0.007 0.000 1.124 108 F CB 0.414 39.408 39.000 -0.010 0.000 1.145 108 F HN -0.075 nan 8.300 nan 0.000 0.505 109 P HA -0.171 nan 4.420 nan 0.000 0.214 109 P C 1.737 179.089 177.300 0.087 0.000 1.169 109 P CA 1.931 65.087 63.100 0.093 0.000 0.908 109 P CB -0.039 31.707 31.700 0.077 0.000 0.791 110 G N -0.545 108.311 108.800 0.093 0.000 2.552 110 G HA2 -0.148 3.818 3.960 0.010 0.000 0.216 110 G HA3 -0.148 3.818 3.960 0.010 0.000 0.216 110 G C 1.262 176.207 174.900 0.075 0.000 1.240 110 G CA 1.149 46.283 45.100 0.057 0.000 0.796 110 G HN 0.520 nan 8.290 nan 0.000 0.568 111 G N 0.318 109.194 108.800 0.127 0.000 2.449 111 G HA2 0.099 4.065 3.960 0.010 0.000 0.304 111 G HA3 0.099 4.065 3.960 0.010 0.000 0.304 111 G C 0.555 175.501 174.900 0.077 0.000 0.962 111 G CA 0.980 46.169 45.100 0.149 0.000 0.943 111 G HN 1.273 nan 8.290 nan 0.000 0.514 112 A N -0.338 122.506 122.820 0.041 0.000 2.249 112 A HA 0.764 5.089 4.320 0.010 0.000 0.281 112 A C 1.931 179.528 177.584 0.021 0.000 1.127 112 A CA 0.854 52.906 52.037 0.025 0.000 0.833 112 A CB 0.184 19.190 19.000 0.011 0.000 1.140 112 A HN 1.488 nan 8.150 nan 0.000 0.502 113 S N -0.271 115.439 115.700 0.016 0.000 2.528 113 S HA -0.135 4.341 4.470 0.010 0.000 0.244 113 S C 1.364 175.969 174.600 0.008 0.000 0.982 113 S CA 1.258 59.468 58.200 0.015 0.000 0.953 113 S CB -0.813 62.395 63.200 0.013 0.000 0.754 113 S HN 1.189 nan 8.310 nan 0.000 0.529 114 S N -0.530 115.168 115.700 -0.003 0.000 2.607 114 S HA 0.132 4.608 4.470 0.010 0.000 0.224 114 S C 0.630 175.212 174.600 -0.030 0.000 0.969 114 S CA -0.151 58.038 58.200 -0.018 0.000 0.927 114 S CB -0.984 62.199 63.200 -0.030 0.000 0.772 114 S HN 0.611 nan 8.310 nan 0.000 0.533 115 c N 3.254 121.844 118.600 -0.016 0.000 2.273 115 c HA 0.623 5.198 4.570 0.010 0.000 0.328 115 c C 0.199 174.298 174.090 0.015 0.000 1.275 115 c CA -0.861 55.457 56.329 -0.019 0.000 1.704 115 c CB 0.017 42.531 42.510 0.007 0.000 2.326 115 c HN 0.353 nan 8.230 nan 0.000 0.517 116 K N 3.341 123.746 120.400 0.010 0.000 2.267 116 K HA 0.434 4.760 4.320 0.010 0.000 0.236 116 K C -0.007 176.632 176.600 0.065 0.000 1.030 116 K CA -0.372 55.937 56.287 0.036 0.000 0.930 116 K CB 0.870 33.388 32.500 0.030 0.000 1.182 116 K HN 0.687 nan 8.250 nan 0.000 0.474 117 E N 0.606 120.858 120.200 0.087 0.000 3.428 117 E HA 0.112 4.468 4.350 0.010 0.000 0.191 117 E C -0.915 175.781 176.600 0.161 0.000 0.980 117 E CA -0.133 56.343 56.400 0.126 0.000 1.305 117 E CB 1.090 30.861 29.700 0.119 0.000 1.105 117 E HN 0.692 nan 8.360 nan 0.000 0.455 118 T N -1.952 112.697 114.554 0.157 0.000 2.821 118 T HA 0.695 5.051 4.350 0.010 0.000 0.306 118 T C -0.737 174.110 174.700 0.245 0.000 1.313 118 T CA -0.982 61.219 62.100 0.167 0.000 1.012 118 T CB 1.381 70.279 68.868 0.050 0.000 1.298 118 T HN 0.141 nan 8.240 nan 0.000 0.502 119 F N -0.841 119.099 119.950 -0.017 0.000 2.664 119 F HA 0.876 5.409 4.527 0.010 0.000 0.317 119 F C -1.325 174.475 175.800 0.001 0.000 1.108 119 F CA -1.295 56.708 58.000 0.005 0.000 0.957 119 F CB 1.218 40.261 39.000 0.071 0.000 1.365 119 F HN 0.481 nan 8.300 nan 0.000 0.475 120 N N 1.242 119.976 118.700 0.056 0.000 2.361 120 N HA 0.570 5.316 4.740 0.010 0.000 0.302 120 N C -1.802 173.720 175.510 0.020 0.000 1.074 120 N CA -0.574 52.441 53.050 -0.058 0.000 0.850 120 N CB 2.141 40.664 38.487 0.060 0.000 1.228 120 N HN 0.806 nan 8.380 nan 0.000 0.491 121 L N 2.357 123.495 121.223 -0.142 0.000 2.313 121 L HA 0.557 4.903 4.340 0.010 0.000 0.283 121 L C -1.539 175.259 176.870 -0.119 0.000 1.013 121 L CA -0.321 54.461 54.840 -0.096 0.000 0.816 121 L CB 0.322 42.304 42.059 -0.129 0.000 1.236 121 L HN 0.431 nan 8.230 nan 0.000 0.419 122 Y N 4.125 124.407 120.300 -0.029 0.000 2.659 122 Y HA 0.721 5.277 4.550 0.010 0.000 0.333 122 Y C -0.686 175.399 175.900 0.308 0.000 1.064 122 Y CA -0.537 57.678 58.100 0.191 0.000 1.141 122 Y CB 1.717 40.399 38.460 0.370 0.000 1.316 122 Y HN 0.614 nan 8.280 nan 0.000 0.509 123 Y N -1.293 119.260 120.300 0.421 0.000 2.689 123 Y HA 0.924 5.479 4.550 0.010 0.000 0.333 123 Y C -1.793 174.096 175.900 -0.017 0.000 1.208 123 Y CA -1.788 56.466 58.100 0.256 0.000 1.055 123 Y CB 1.223 39.712 38.460 0.050 0.000 1.304 123 Y HN 0.768 nan 8.280 nan 0.000 0.455 124 A N 1.454 124.125 122.820 -0.248 0.000 2.566 124 A HA 0.614 4.940 4.320 0.010 0.000 0.297 124 A C -1.653 175.918 177.584 -0.022 0.000 1.059 124 A CA -0.965 50.735 52.037 -0.562 0.000 0.691 124 A CB 1.606 19.767 19.000 -1.398 0.000 1.282 124 A HN 0.782 nan 8.150 nan 0.000 0.401 125 E N 0.606 120.819 120.200 0.022 0.000 2.250 125 E HA 0.730 5.085 4.350 0.010 0.000 0.269 125 E C -0.167 176.545 176.600 0.187 0.000 1.018 125 E CA -0.396 56.101 56.400 0.160 0.000 0.873 125 E CB 1.799 31.584 29.700 0.141 0.000 1.134 125 E HN 0.909 nan 8.360 nan 0.000 0.403 126 S N 0.176 116.072 115.700 0.326 0.000 2.595 126 S HA 0.223 4.699 4.470 0.010 0.000 0.270 126 S C -0.705 174.167 174.600 0.454 0.000 1.145 126 S CA -0.850 57.585 58.200 0.392 0.000 0.825 126 S CB 1.267 64.806 63.200 0.565 0.000 1.107 126 S HN 0.400 nan 8.310 nan 0.000 0.461 127 D N 0.457 121.029 120.400 0.288 0.000 2.379 127 D HA 0.307 4.953 4.640 0.010 0.000 0.208 127 D C 0.570 176.927 176.300 0.094 0.000 1.065 127 D CA 0.514 54.672 54.000 0.264 0.000 0.848 127 D CB 0.287 41.169 40.800 0.135 0.000 0.949 127 D HN 0.635 nan 8.370 nan 0.000 0.509 128 L N -2.673 118.435 121.223 -0.193 0.000 2.359 128 L HA 0.604 4.950 4.340 0.010 0.000 0.256 128 L C -0.663 175.561 176.870 -1.078 0.000 1.026 128 L CA -1.046 53.417 54.840 -0.629 0.000 0.828 128 L CB 2.222 44.040 42.059 -0.402 0.000 1.406 128 L HN -0.430 nan 8.230 nan 0.000 0.413 129 D N 0.184 119.904 120.400 -1.133 0.000 2.336 129 D HA 0.166 4.812 4.640 0.010 0.000 0.249 129 D C 0.357 176.483 176.300 -0.291 0.000 1.213 129 D CA 0.221 53.712 54.000 -0.850 0.000 0.870 129 D CB 0.773 41.243 40.800 -0.551 0.000 1.076 129 D HN 0.592 nan 8.370 nan 0.000 0.483 130 Y N 2.808 123.035 120.300 -0.122 0.000 2.497 130 Y HA -0.077 4.479 4.550 0.009 0.000 0.292 130 Y C 2.147 178.020 175.900 -0.045 0.000 1.137 130 Y CA 0.865 58.919 58.100 -0.077 0.000 1.285 130 Y CB 0.049 38.460 38.460 -0.083 0.000 0.991 130 Y HN 0.727 nan 8.280 nan 0.000 0.556 131 G N 0.454 109.333 108.800 0.133 0.000 2.596 131 G HA2 -0.487 3.479 3.960 0.010 0.000 0.304 131 G HA3 -0.487 3.479 3.960 0.010 0.000 0.304 131 G C 1.183 176.159 174.900 0.127 0.000 1.189 131 G CA 1.232 46.398 45.100 0.110 0.000 0.986 131 G HN 0.429 nan 8.290 nan 0.000 0.548 132 T N -1.124 113.500 114.554 0.117 0.000 3.113 132 T HA 0.123 4.479 4.350 0.010 0.000 0.256 132 T C 1.303 176.096 174.700 0.155 0.000 1.131 132 T CA 1.249 63.439 62.100 0.150 0.000 1.074 132 T CB -0.054 68.895 68.868 0.135 0.000 0.944 132 T HN 0.604 nan 8.240 nan 0.000 0.516 133 N N 1.686 120.468 118.700 0.135 0.000 3.127 133 N HA 0.070 4.816 4.740 0.010 0.000 0.317 133 N C -0.824 174.736 175.510 0.084 0.000 1.242 133 N CA -0.633 52.496 53.050 0.132 0.000 1.203 133 N CB -1.128 37.458 38.487 0.165 0.000 1.462 133 N HN 0.522 nan 8.380 nan 0.000 0.546 134 F N 1.434 121.309 119.950 -0.125 0.000 2.456 134 F HA 0.217 4.750 4.527 0.009 0.000 0.358 134 F C 0.205 175.796 175.800 -0.349 0.000 1.095 134 F CA -0.254 57.572 58.000 -0.289 0.000 1.216 134 F CB 0.720 39.503 39.000 -0.361 0.000 1.125 134 F HN 0.239 nan 8.300 nan 0.000 0.549 135 Q N 6.859 125.937 119.800 -1.205 0.000 2.444 135 Q HA 0.135 4.480 4.340 0.010 0.000 0.251 135 Q C 0.624 175.941 176.000 -1.138 0.000 0.939 135 Q CA -0.632 54.586 55.803 -0.975 0.000 0.740 135 Q CB 1.442 29.889 28.738 -0.485 0.000 1.308 135 Q HN 0.952 nan 8.270 nan 0.000 0.461 136 K N 2.981 122.522 120.400 -1.431 0.000 2.089 136 K HA -0.249 4.077 4.320 0.010 0.000 0.210 136 K C 1.625 177.846 176.600 -0.632 0.000 1.048 136 K CA 2.243 57.745 56.287 -1.309 0.000 0.926 136 K CB 0.140 31.933 32.500 -1.179 0.000 0.714 136 K HN 0.679 nan 8.250 nan 0.000 0.448 137 R N 0.505 120.746 120.500 -0.432 0.000 2.193 137 R HA -0.091 4.254 4.340 0.010 0.000 0.229 137 R C 1.872 178.060 176.300 -0.186 0.000 1.110 137 R CA 1.215 57.174 56.100 -0.234 0.000 0.988 137 R CB -0.414 29.774 30.300 -0.186 0.000 0.871 137 R HN 0.219 nan 8.270 nan 0.000 0.458 138 L N 0.138 121.221 121.223 -0.233 0.000 2.599 138 L HA 0.217 4.563 4.340 0.010 0.000 0.230 138 L C 0.139 176.823 176.870 -0.311 0.000 1.141 138 L CA -0.043 54.638 54.840 -0.265 0.000 0.877 138 L CB -0.065 41.762 42.059 -0.386 0.000 1.009 138 L HN 0.052 nan 8.230 nan 0.000 0.447 139 F N -0.582 119.174 119.950 -0.323 0.000 2.397 139 F HA 0.272 4.805 4.527 0.010 0.000 0.331 139 F C 0.710 176.480 175.800 -0.051 0.000 1.090 139 F CA -0.522 57.356 58.000 -0.203 0.000 1.065 139 F CB 1.560 40.468 39.000 -0.154 0.000 1.184 139 F HN -0.320 nan 8.300 nan 0.000 0.499 140 T N 2.851 117.360 114.554 -0.076 0.000 2.771 140 T HA 0.189 4.545 4.350 0.010 0.000 0.281 140 T C -0.405 174.294 174.700 -0.001 0.000 0.982 140 T CA -0.876 61.154 62.100 -0.116 0.000 0.978 140 T CB 1.061 69.659 68.868 -0.451 0.000 0.930 140 T HN 0.417 nan 8.240 nan 0.000 0.447 141 K N 3.546 123.871 120.400 -0.126 0.000 2.412 141 K HA 0.257 4.583 4.320 0.010 0.000 0.281 141 K C 0.566 177.024 176.600 -0.237 0.000 1.027 141 K CA -0.124 55.794 56.287 -0.614 0.000 0.989 141 K CB 0.289 32.398 32.500 -0.651 0.000 0.935 141 K HN 0.563 nan 8.250 nan 0.000 0.475 142 I N 1.744 122.185 120.570 -0.215 0.000 2.731 142 I HA 0.071 4.247 4.170 0.010 0.000 0.260 142 I C 0.136 176.172 176.117 -0.136 0.000 1.138 142 I CA 0.276 61.525 61.300 -0.085 0.000 1.461 142 I CB 0.246 38.220 38.000 -0.044 0.000 1.128 142 I HN 0.734 nan 8.210 nan 0.000 0.438 143 D N -0.665 119.617 120.400 -0.197 0.000 2.997 143 D HA 0.057 4.703 4.640 0.010 0.000 0.276 143 D C -0.832 175.344 176.300 -0.207 0.000 1.141 143 D CA -0.220 53.680 54.000 -0.167 0.000 0.727 143 D CB 0.950 41.680 40.800 -0.118 0.000 1.306 143 D HN 0.030 nan 8.370 nan 0.000 0.439 144 T N -0.421 114.029 114.554 -0.173 0.000 2.909 144 T HA 0.661 5.017 4.350 0.010 0.000 0.289 144 T C 0.320 174.870 174.700 -0.249 0.000 1.005 144 T CA -0.729 61.248 62.100 -0.204 0.000 1.084 144 T CB 0.638 69.431 68.868 -0.125 0.000 0.975 144 T HN 0.273 nan 8.240 nan 0.000 0.509 145 I N 2.011 122.321 120.570 -0.435 0.000 2.355 145 I HA 0.559 4.734 4.170 0.010 0.000 0.288 145 I C 0.314 176.285 176.117 -0.244 0.000 0.999 145 I CA -1.216 59.802 61.300 -0.470 0.000 1.163 145 I CB 0.430 37.786 38.000 -1.072 0.000 1.316 145 I HN 0.972 nan 8.210 nan 0.000 0.454 146 A N 8.679 131.503 122.820 0.007 0.000 2.337 146 A HA 0.883 5.209 4.320 0.010 0.000 0.329 146 A C -2.605 175.157 177.584 0.296 0.000 1.146 146 A CA -1.539 50.578 52.037 0.134 0.000 0.800 146 A CB 0.914 19.962 19.000 0.079 0.000 1.220 146 A HN 0.444 nan 8.150 nan 0.000 0.472 147 P HA 0.159 nan 4.420 nan 0.000 0.268 147 P C -0.409 176.970 177.300 0.132 0.000 1.204 147 P CA 0.005 63.282 63.100 0.295 0.000 0.768 147 P CB 0.756 32.605 31.700 0.247 0.000 0.842 148 D N 0.949 121.379 120.400 0.050 0.000 2.249 148 D HA -0.029 4.616 4.640 0.010 0.000 0.205 148 D C 0.296 176.598 176.300 0.004 0.000 0.962 148 D CA 1.259 55.273 54.000 0.023 0.000 0.860 148 D CB 0.144 40.942 40.800 -0.003 0.000 0.955 148 D HN 0.383 nan 8.370 nan 0.000 0.505 149 E N 0.309 120.497 120.200 -0.019 0.000 2.283 149 E HA 0.359 4.715 4.350 0.010 0.000 0.258 149 E C -1.400 175.201 176.600 0.002 0.000 0.893 149 E CA -0.398 55.993 56.400 -0.016 0.000 0.798 149 E CB 1.368 31.044 29.700 -0.040 0.000 1.242 149 E HN -0.019 nan 8.360 nan 0.000 0.414 150 I N 4.194 124.779 120.570 0.024 0.000 2.396 150 I HA 0.455 4.630 4.170 0.010 0.000 0.292 150 I C -0.247 175.882 176.117 0.019 0.000 0.999 150 I CA -0.094 61.230 61.300 0.041 0.000 1.310 150 I CB 0.910 38.942 38.000 0.053 0.000 1.404 150 I HN 0.671 nan 8.210 nan 0.000 0.496 151 T N 4.135 118.701 114.554 0.020 0.000 2.949 151 T HA 0.599 4.954 4.350 0.010 0.000 0.287 151 T C -0.314 174.374 174.700 -0.020 0.000 1.034 151 T CA -0.695 61.405 62.100 -0.001 0.000 1.018 151 T CB 1.751 70.620 68.868 0.001 0.000 1.135 151 T HN 0.459 nan 8.240 nan 0.000 0.532 152 V N -0.294 119.596 119.914 -0.040 0.000 2.315 152 V HA 0.671 4.797 4.120 0.010 0.000 0.265 152 V C 0.204 176.248 176.094 -0.084 0.000 1.019 152 V CA -0.215 62.039 62.300 -0.077 0.000 0.824 152 V CB -1.042 30.738 31.823 -0.072 0.000 1.072 152 V HN 1.832 nan 8.190 nan 0.000 0.448 164 N N 2.445 120.876 118.700 -0.449 0.000 2.458 164 N HA 0.443 5.189 4.740 0.010 0.000 0.270 164 N C -0.765 174.409 175.510 -0.560 0.000 1.102 164 N CA -0.463 52.220 53.050 -0.613 0.000 0.967 164 N CB 2.648 40.509 38.487 -1.044 0.000 1.078 164 N HN 0.385 nan 8.380 nan 0.000 0.471 165 V N 2.107 121.908 119.914 -0.188 0.000 2.483 165 V HA 0.364 4.490 4.120 0.010 0.000 0.295 165 V C -0.001 176.175 176.094 0.137 0.000 1.035 165 V CA -0.491 61.819 62.300 0.016 0.000 0.896 165 V CB 1.731 33.575 31.823 0.036 0.000 0.986 165 V HN 0.619 nan 8.190 nan 0.000 0.447 166 E N 2.853 123.218 120.200 0.276 0.000 2.343 166 E HA 0.476 4.832 4.350 0.010 0.000 0.278 166 E C -1.141 175.601 176.600 0.237 0.000 0.910 166 E CA -0.548 56.016 56.400 0.273 0.000 0.757 166 E CB 3.266 33.198 29.700 0.386 0.000 1.218 166 E HN 0.808 nan 8.360 nan 0.000 0.435 167 E N 2.168 122.474 120.200 0.177 0.000 2.266 167 E HA 0.522 4.878 4.350 0.010 0.000 0.268 167 E C -0.744 175.933 176.600 0.129 0.000 0.879 167 E CA -0.622 55.883 56.400 0.174 0.000 0.762 167 E CB 1.385 31.193 29.700 0.179 0.000 1.199 167 E HN 0.237 nan 8.360 nan 0.000 0.422 168 R N 0.668 121.235 120.500 0.112 0.000 2.906 168 R HA 0.595 4.940 4.340 0.010 0.000 0.258 168 R C -1.178 175.115 176.300 -0.010 0.000 1.156 168 R CA -0.804 55.320 56.100 0.039 0.000 0.996 168 R CB 1.410 31.702 30.300 -0.014 0.000 1.259 168 R HN 0.730 nan 8.270 nan 0.000 0.462 169 S N -1.340 114.273 115.700 -0.145 0.000 2.552 169 S HA 0.578 5.054 4.470 0.010 0.000 0.272 169 S C -1.417 172.941 174.600 -0.405 0.000 1.150 169 S CA -0.798 57.173 58.200 -0.382 0.000 0.849 169 S CB 1.798 64.594 63.200 -0.673 0.000 1.113 169 S HN 0.400 nan 8.310 nan 0.000 0.458 170 V N 0.817 120.412 119.914 -0.532 0.000 2.808 170 V HA 0.965 5.091 4.120 0.010 0.000 0.308 170 V C -0.062 175.712 176.094 -0.532 0.000 1.099 170 V CA 0.744 62.725 62.300 -0.531 0.000 0.920 170 V CB 1.475 32.848 31.823 -0.749 0.000 1.014 170 V HN 1.858 nan 8.190 nan 0.000 0.425 171 G N 5.401 113.961 108.800 -0.401 0.000 2.576 171 G HA2 0.702 4.668 3.960 0.010 0.000 0.290 171 G HA3 0.702 4.668 3.960 0.010 0.000 0.290 171 G C -3.524 171.246 174.900 -0.218 0.000 1.442 171 G CA -0.811 44.093 45.100 -0.326 0.000 0.792 171 G HN 0.674 nan 8.290 nan 0.000 0.491 172 P HA 0.577 nan 4.420 nan 0.000 0.286 172 P C -0.406 176.791 177.300 -0.172 0.000 1.261 172 P CA -0.605 62.391 63.100 -0.173 0.000 0.821 172 P CB 1.312 32.941 31.700 -0.118 0.000 1.013 173 L N 1.669 122.770 121.223 -0.203 0.000 2.357 173 L HA 0.578 4.923 4.340 0.010 0.000 0.273 173 L C 0.769 177.579 176.870 -0.099 0.000 1.080 173 L CA -0.235 54.505 54.840 -0.166 0.000 0.803 173 L CB 1.220 43.134 42.059 -0.242 0.000 1.174 173 L HN 0.528 nan 8.230 nan 0.000 0.443 174 T N -2.028 112.498 114.554 -0.047 0.000 3.855 174 T HA 0.347 4.703 4.350 0.010 0.000 0.313 174 T C 0.027 174.735 174.700 0.014 0.000 0.938 174 T CA -0.681 61.405 62.100 -0.023 0.000 1.011 174 T CB 0.013 68.868 68.868 -0.022 0.000 1.188 174 T HN 0.487 nan 8.240 nan 0.000 0.477 175 R N 0.314 120.836 120.500 0.036 0.000 2.888 175 R HA 0.560 4.906 4.340 0.010 0.000 0.264 175 R C 0.607 176.962 176.300 0.093 0.000 1.045 175 R CA -0.916 55.235 56.100 0.084 0.000 0.962 175 R CB 1.435 31.809 30.300 0.123 0.000 1.210 175 R HN -0.057 nan 8.270 nan 0.000 0.479 176 K N 0.397 120.895 120.400 0.162 0.000 2.044 176 K HA -0.080 4.245 4.320 0.010 0.000 0.210 176 K C 1.073 177.615 176.600 -0.098 0.000 1.049 176 K CA 1.758 58.147 56.287 0.169 0.000 0.927 176 K CB -0.005 32.745 32.500 0.417 0.000 0.713 176 K HN 0.700 nan 8.250 nan 0.000 0.443 177 G N -0.153 108.493 108.800 -0.256 0.000 2.682 177 G HA2 0.522 4.488 3.960 0.010 0.000 0.290 177 G HA3 0.522 4.488 3.960 0.010 0.000 0.290 177 G C -1.492 173.124 174.900 -0.474 0.000 1.425 177 G CA -0.874 43.631 45.100 -0.991 0.000 0.807 177 G HN 0.134 nan 8.290 nan 0.000 0.482 178 F N -1.656 117.861 119.950 -0.722 0.000 2.613 178 F HA 0.855 5.387 4.527 0.010 0.000 0.314 178 F C -1.730 173.829 175.800 -0.401 0.000 1.075 178 F CA -1.896 55.908 58.000 -0.327 0.000 0.945 178 F CB 1.394 40.307 39.000 -0.146 0.000 1.310 178 F HN 0.446 nan 8.300 nan 0.000 0.467 179 Y N 1.489 121.897 120.300 0.179 0.000 2.487 179 Y HA 0.717 5.273 4.550 0.010 0.000 0.337 179 Y C -0.341 175.751 175.900 0.320 0.000 1.076 179 Y CA -1.079 57.121 58.100 0.167 0.000 1.115 179 Y CB 1.848 40.494 38.460 0.311 0.000 1.235 179 Y HN 0.486 nan 8.280 nan 0.000 0.468 180 L N 2.140 123.559 121.223 0.327 0.000 2.334 180 L HA 0.891 5.237 4.340 0.010 0.000 0.273 180 L C -0.537 176.329 176.870 -0.006 0.000 1.013 180 L CA -1.100 53.828 54.840 0.146 0.000 0.816 180 L CB 1.749 43.773 42.059 -0.058 0.000 1.278 180 L HN 0.735 nan 8.230 nan 0.000 0.431 181 A N 2.516 125.251 122.820 -0.140 0.000 2.422 181 A HA 0.814 5.139 4.320 0.010 0.000 0.302 181 A C -1.391 175.937 177.584 -0.427 0.000 1.041 181 A CA -0.365 51.565 52.037 -0.178 0.000 0.708 181 A CB 1.000 19.974 19.000 -0.045 0.000 1.257 181 A HN 0.493 nan 8.150 nan 0.000 0.414 182 F N 1.102 120.985 119.950 -0.112 0.000 2.444 182 F HA 0.547 5.080 4.527 0.009 0.000 0.342 182 F C 0.495 176.159 175.800 -0.227 0.000 1.121 182 F CA -0.326 57.602 58.000 -0.120 0.000 0.997 182 F CB 2.025 40.833 39.000 -0.319 0.000 1.130 182 F HN 0.654 nan 8.300 nan 0.000 0.454 183 Q N 2.779 122.527 119.800 -0.087 0.000 2.293 183 Q HA 0.274 4.619 4.340 0.010 0.000 0.261 183 Q C -1.641 174.399 176.000 0.067 0.000 0.960 183 Q CA -0.791 54.724 55.803 -0.480 0.000 0.882 183 Q CB 1.798 29.905 28.738 -1.052 0.000 1.275 183 Q HN 0.708 nan 8.270 nan 0.000 0.445 184 D N 3.214 123.654 120.400 0.066 0.000 2.163 184 D HA 0.248 4.894 4.640 0.010 0.000 0.248 184 D C 0.489 176.741 176.300 -0.080 0.000 1.035 184 D CA -0.469 53.514 54.000 -0.029 0.000 0.872 184 D CB 0.997 41.576 40.800 -0.368 0.000 1.183 184 D HN 0.648 nan 8.370 nan 0.000 0.445 185 I N 0.123 120.666 120.570 -0.044 0.000 4.240 185 I HA 0.547 4.722 4.170 0.010 0.000 0.331 185 I C 0.707 176.797 176.117 -0.045 0.000 1.381 185 I CA -0.436 60.847 61.300 -0.027 0.000 1.136 185 I CB 0.656 38.662 38.000 0.010 0.000 1.137 185 I HN 0.507 nan 8.210 nan 0.000 0.411 186 G N 1.788 110.538 108.800 -0.084 0.000 2.467 186 G HA2 0.334 4.299 3.960 0.010 0.000 0.226 186 G HA3 0.334 4.299 3.960 0.010 0.000 0.226 186 G C -0.386 174.450 174.900 -0.107 0.000 1.162 186 G CA -0.192 44.846 45.100 -0.104 0.000 0.838 186 G HN 0.735 nan 8.290 nan 0.000 0.498 187 A N -0.997 121.745 122.820 -0.131 0.000 2.437 187 A HA 0.846 5.171 4.320 0.010 0.000 0.288 187 A C -0.037 177.454 177.584 -0.154 0.000 1.201 187 A CA -0.301 51.680 52.037 -0.093 0.000 0.795 187 A CB 1.673 20.671 19.000 -0.003 0.000 1.359 187 A HN 1.352 nan 8.150 nan 0.000 0.435 188 c N 1.837 120.398 118.600 -0.064 0.000 2.248 188 c HA 0.632 5.208 4.570 0.010 0.000 0.320 188 c C -0.537 173.549 174.090 -0.007 0.000 1.065 188 c CA -0.289 56.013 56.329 -0.044 0.000 1.558 188 c CB -1.942 40.642 42.510 0.124 0.000 1.787 188 c HN 0.514 nan 8.230 nan 0.000 0.426 189 V N 3.979 123.822 119.914 -0.119 0.000 2.581 189 V HA 0.819 4.945 4.120 0.010 0.000 0.303 189 V C 0.315 176.384 176.094 -0.042 0.000 1.041 189 V CA -0.478 61.772 62.300 -0.083 0.000 0.907 189 V CB 1.656 33.320 31.823 -0.264 0.000 0.994 189 V HN 0.808 nan 8.190 nan 0.000 0.442 190 A N 4.768 127.630 122.820 0.070 0.000 2.310 190 A HA 0.699 5.025 4.320 0.010 0.000 0.304 190 A C -0.797 176.879 177.584 0.154 0.000 1.231 190 A CA -0.398 51.703 52.037 0.106 0.000 0.799 190 A CB 0.672 19.730 19.000 0.097 0.000 1.162 190 A HN 0.856 nan 8.150 nan 0.000 0.486 191 L N 4.018 125.323 121.223 0.136 0.000 2.282 191 L HA 0.251 4.596 4.340 0.010 0.000 0.287 191 L C 0.081 177.031 176.870 0.133 0.000 1.075 191 L CA -0.466 54.414 54.840 0.067 0.000 0.839 191 L CB 0.957 42.897 42.059 -0.199 0.000 1.219 191 L HN 0.840 nan 8.230 nan 0.000 0.434 192 L N 2.928 124.282 121.223 0.217 0.000 2.253 192 L HA 0.171 4.517 4.340 0.010 0.000 0.205 192 L C 0.824 177.949 176.870 0.425 0.000 1.078 192 L CA 0.897 55.911 54.840 0.290 0.000 0.805 192 L CB 0.110 42.283 42.059 0.191 0.000 0.963 192 L HN 0.511 nan 8.230 nan 0.000 0.459 193 S N -1.078 114.834 115.700 0.353 0.000 2.540 193 S HA 0.702 5.178 4.470 0.010 0.000 0.275 193 S C -1.363 173.448 174.600 0.351 0.000 1.123 193 S CA -0.545 57.898 58.200 0.405 0.000 0.907 193 S CB 1.581 64.947 63.200 0.276 0.000 1.081 193 S HN -0.014 nan 8.310 nan 0.000 0.476 194 V N 2.824 122.988 119.914 0.417 0.000 2.760 194 V HA 0.814 4.939 4.120 0.010 0.000 0.309 194 V C -1.374 174.954 176.094 0.390 0.000 1.077 194 V CA -0.794 61.741 62.300 0.391 0.000 0.910 194 V CB 1.874 33.951 31.823 0.423 0.000 1.008 194 V HN 0.947 nan 8.190 nan 0.000 0.424 195 R N 3.249 123.963 120.500 0.357 0.000 2.532 195 R HA 0.761 5.107 4.340 0.010 0.000 0.297 195 R C -1.561 174.982 176.300 0.404 0.000 0.984 195 R CA -0.680 55.630 56.100 0.350 0.000 0.884 195 R CB 2.457 32.932 30.300 0.292 0.000 1.182 195 R HN 0.818 nan 8.270 nan 0.000 0.442 196 V N 5.322 125.464 119.914 0.378 0.000 2.444 196 V HA 0.675 4.800 4.120 0.010 0.000 0.294 196 V C -1.568 174.754 176.094 0.380 0.000 1.022 196 V CA -0.419 62.082 62.300 0.335 0.000 0.850 196 V CB 1.086 33.095 31.823 0.310 0.000 0.992 196 V HN 0.781 nan 8.190 nan 0.000 0.426 197 Y N 4.955 125.367 120.300 0.186 0.000 2.655 197 Y HA 0.854 5.410 4.550 0.009 0.000 0.336 197 Y C -1.316 174.721 175.900 0.228 0.000 1.154 197 Y CA -1.588 56.582 58.100 0.118 0.000 1.055 197 Y CB 1.461 39.941 38.460 0.033 0.000 1.295 197 Y HN 0.764 nan 8.280 nan 0.000 0.465 198 Y N -0.616 119.825 120.300 0.235 0.000 2.524 198 Y HA 0.756 5.311 4.550 0.009 0.000 0.344 198 Y C -0.944 175.103 175.900 0.246 0.000 1.012 198 Y CA -1.964 56.240 58.100 0.173 0.000 1.068 198 Y CB 1.489 39.984 38.460 0.058 0.000 1.249 198 Y HN 0.578 nan 8.280 nan 0.000 0.468 199 K N 2.040 122.677 120.400 0.394 0.000 2.090 199 K HA 0.497 4.823 4.320 0.010 0.000 0.250 199 K C -1.054 175.661 176.600 0.192 0.000 1.004 199 K CA -1.016 55.400 56.287 0.216 0.000 0.919 199 K CB 1.198 33.777 32.500 0.132 0.000 1.045 199 K HN 0.696 nan 8.250 nan 0.000 0.471 200 K N 0.709 121.150 120.400 0.069 0.000 2.525 200 K HA 0.280 4.606 4.320 0.010 0.000 0.254 200 K C -1.533 175.015 176.600 -0.086 0.000 0.934 200 K CA -0.656 55.651 56.287 0.033 0.000 0.802 200 K CB 1.598 34.147 32.500 0.083 0.000 1.295 200 K HN 0.616 nan 8.250 nan 0.000 0.433 201 c N 4.375 122.846 118.600 -0.214 0.000 2.435 201 c HA 0.399 4.974 4.570 0.010 0.000 0.375 201 c C -2.160 171.867 174.090 -0.106 0.000 1.281 201 c CA -1.419 54.653 56.329 -0.429 0.000 1.963 201 c CB -0.006 41.779 42.510 -1.209 0.000 2.490 201 c HN 0.587 nan 8.230 nan 0.000 0.557 202 P HA 0.167 nan 4.420 nan 0.000 0.271 202 P C -0.482 177.060 177.300 0.404 0.000 1.218 202 P CA -0.056 63.167 63.100 0.205 0.000 0.780 202 P CB 0.372 32.179 31.700 0.180 0.000 0.901 203 E N 2.968 123.324 120.200 0.259 0.000 2.398 203 E HA 0.368 4.724 4.350 0.010 0.000 0.263 203 E C -0.527 176.160 176.600 0.146 0.000 1.046 203 E CA -0.448 56.072 56.400 0.199 0.000 0.908 203 E CB 0.015 29.822 29.700 0.177 0.000 0.963 203 E HN 0.182 nan 8.360 nan 0.000 0.431 204 L N -0.404 120.825 121.223 0.011 0.000 2.720 204 L HA 0.524 4.869 4.340 0.010 0.000 0.261 204 L C -1.388 175.513 176.870 0.052 0.000 1.046 204 L CA -1.507 53.345 54.840 0.020 0.000 0.886 204 L CB 0.377 42.403 42.059 -0.055 0.000 1.493 204 L HN 0.712 nan 8.230 nan 0.000 0.407 205 L N -0.665 120.623 121.223 0.107 0.000 2.333 205 L HA 0.956 5.302 4.340 0.010 0.000 0.280 205 L C -0.593 176.321 176.870 0.072 0.000 1.004 205 L CA -0.599 54.327 54.840 0.143 0.000 0.820 205 L CB 1.686 43.837 42.059 0.153 0.000 1.247 205 L HN 0.754 nan 8.230 nan 0.000 0.416 206 Q N 2.358 122.225 119.800 0.112 0.000 2.294 206 Q HA 0.553 4.899 4.340 0.010 0.000 0.264 206 Q C 0.173 176.225 176.000 0.086 0.000 0.992 206 Q CA 0.406 56.235 55.803 0.043 0.000 0.747 206 Q CB 2.015 30.694 28.738 -0.100 0.000 1.262 206 Q HN 1.053 nan 8.270 nan 0.000 0.452 207 G N 4.251 113.074 108.800 0.039 0.000 2.333 207 G HA2 -0.208 3.758 3.960 0.010 0.000 0.296 207 G HA3 -0.208 3.758 3.960 0.010 0.000 0.296 207 G C 0.274 175.190 174.900 0.027 0.000 1.059 207 G CA 0.168 45.287 45.100 0.030 0.000 1.050 207 G HN 0.970 nan 8.290 nan 0.000 0.508 208 L N -3.934 117.302 121.223 0.021 0.000 4.988 208 L HA -0.236 4.110 4.340 0.010 0.000 0.439 208 L C 1.555 178.419 176.870 -0.010 0.000 1.080 208 L CA 2.176 57.017 54.840 0.003 0.000 1.018 208 L CB -2.152 39.900 42.059 -0.012 0.000 1.945 208 L HN 1.919 nan 8.230 nan 0.000 0.782 209 A N -1.156 121.669 122.820 0.009 0.000 2.306 209 A HA 0.665 4.991 4.320 0.010 0.000 0.330 209 A C -0.199 177.366 177.584 -0.032 0.000 1.146 209 A CA -0.245 51.743 52.037 -0.082 0.000 0.827 209 A CB 0.819 19.714 19.000 -0.174 0.000 1.178 209 A HN 0.390 nan 8.150 nan 0.000 0.490 210 H N 0.420 119.320 119.070 -0.284 0.000 2.505 210 H HA 0.650 5.212 4.556 0.009 0.000 0.338 210 H C -1.623 173.486 175.328 -0.364 0.000 1.057 210 H CA -0.601 55.346 56.048 -0.170 0.000 1.202 210 H CB 0.592 30.291 29.762 -0.105 0.000 1.466 210 H HN 0.445 nan 8.280 nan 0.000 0.499 211 F N 6.491 126.027 119.950 -0.690 0.000 2.480 211 F HA 0.461 4.993 4.527 0.009 0.000 0.329 211 F C -2.135 173.309 175.800 -0.594 0.000 1.091 211 F CA -2.161 55.501 58.000 -0.564 0.000 0.972 211 F CB 1.866 40.468 39.000 -0.662 0.000 1.150 211 F HN 0.472 nan 8.300 nan 0.000 0.467 212 P HA 0.144 nan 4.420 nan 0.000 0.285 212 P C -0.981 176.465 177.300 0.243 0.000 1.280 212 P CA -0.636 62.505 63.100 0.068 0.000 0.862 212 P CB 0.993 32.756 31.700 0.105 0.000 1.153 213 E N 0.266 120.590 120.200 0.207 0.000 2.729 213 E HA 0.041 4.396 4.350 0.010 0.000 0.246 213 E C -0.295 176.407 176.600 0.169 0.000 0.984 213 E CA 1.119 57.635 56.400 0.194 0.000 0.951 213 E CB -0.091 29.691 29.700 0.136 0.000 0.914 213 E HN 0.329 nan 8.360 nan 0.000 0.509 214 T N 4.116 118.746 114.554 0.128 0.000 2.841 214 T HA 0.377 4.733 4.350 0.010 0.000 0.283 214 T C 0.462 175.140 174.700 -0.036 0.000 1.000 214 T CA -0.663 61.474 62.100 0.061 0.000 0.977 214 T CB 0.868 69.794 68.868 0.097 0.000 0.979 214 T HN 0.292 nan 8.240 nan 0.000 0.446 215 I N 2.649 123.217 120.570 -0.003 0.000 2.648 215 I HA 0.253 4.428 4.170 0.010 0.000 0.284 215 I C 1.222 177.302 176.117 -0.061 0.000 1.153 215 I CA -0.477 60.821 61.300 -0.004 0.000 1.426 215 I CB 0.449 38.404 38.000 -0.077 0.000 1.381 215 I HN 0.694 nan 8.210 nan 0.000 0.571 216 A N 5.318 128.117 122.820 -0.035 0.000 2.466 216 A HA 0.435 4.761 4.320 0.010 0.000 0.238 216 A C 0.690 178.244 177.584 -0.050 0.000 1.074 216 A CA 0.119 52.118 52.037 -0.063 0.000 0.774 216 A CB -0.017 18.981 19.000 -0.003 0.000 1.015 216 A HN 0.887 nan 8.150 nan 0.000 0.498 217 G N -0.445 108.324 108.800 -0.051 0.000 2.572 217 G HA2 0.389 4.354 3.960 0.010 0.000 0.261 217 G HA3 0.389 4.354 3.960 0.010 0.000 0.261 217 G C 1.021 175.889 174.900 -0.054 0.000 1.197 217 G CA 0.419 45.492 45.100 -0.045 0.000 0.870 217 G HN 0.927 nan 8.290 nan 0.000 0.548 218 S N -0.473 115.182 115.700 -0.075 0.000 2.356 218 S HA 0.048 4.524 4.470 0.010 0.000 0.219 218 S C 0.438 174.987 174.600 -0.085 0.000 1.036 218 S CA 1.123 59.259 58.200 -0.107 0.000 0.965 218 S CB -0.162 62.961 63.200 -0.128 0.000 0.864 218 S HN 0.614 nan 8.310 nan 0.000 0.471 219 D N -0.567 119.796 120.400 -0.061 0.000 2.457 219 D HA 0.690 5.335 4.640 0.010 0.000 0.240 219 D C 0.489 176.772 176.300 -0.028 0.000 1.041 219 D CA 0.054 54.026 54.000 -0.047 0.000 0.861 219 D CB 1.749 42.520 40.800 -0.049 0.000 1.394 219 D HN 0.223 nan 8.370 nan 0.000 0.473 220 A N 1.806 124.611 122.820 -0.024 0.000 1.855 220 A HA -0.016 4.309 4.320 0.010 0.000 0.215 220 A C -0.509 177.065 177.584 -0.017 0.000 1.191 220 A CA 1.281 53.307 52.037 -0.019 0.000 0.613 220 A CB -1.429 17.558 19.000 -0.021 0.000 0.829 220 A HN 0.523 nan 8.150 nan 0.000 0.442 221 P HA -0.056 nan 4.420 nan 0.000 0.223 221 P C 0.226 177.522 177.300 -0.007 0.000 1.144 221 P CA 1.594 64.685 63.100 -0.014 0.000 0.783 221 P CB -0.070 31.620 31.700 -0.016 0.000 0.771 222 S N -1.048 114.649 115.700 -0.006 0.000 2.062 222 S HA 0.414 4.890 4.470 0.010 0.000 0.163 222 S C -0.523 174.085 174.600 0.013 0.000 1.612 222 S CA -0.788 57.414 58.200 0.002 0.000 1.251 222 S CB -0.411 62.783 63.200 -0.009 0.000 1.174 222 S HN -0.131 nan 8.310 nan 0.000 0.428 223 L N 3.195 124.441 121.223 0.038 0.000 2.262 223 L HA 0.791 5.136 4.340 0.010 0.000 0.288 223 L C 0.367 177.315 176.870 0.129 0.000 1.035 223 L CA -0.291 54.592 54.840 0.072 0.000 0.820 223 L CB 0.672 42.777 42.059 0.076 0.000 1.204 223 L HN 0.644 nan 8.230 nan 0.000 0.424 224 A N 3.195 126.069 122.820 0.089 0.000 2.366 224 A HA 0.491 4.817 4.320 0.010 0.000 0.250 224 A C 0.195 177.825 177.584 0.076 0.000 1.099 224 A CA 0.057 52.139 52.037 0.074 0.000 0.794 224 A CB 0.214 19.236 19.000 0.036 0.000 1.056 224 A HN 0.684 nan 8.150 nan 0.000 0.499 225 T N -0.243 114.312 114.554 0.002 0.000 2.823 225 T HA 0.526 4.882 4.350 0.010 0.000 0.279 225 T C -0.991 173.686 174.700 -0.039 0.000 0.998 225 T CA -0.440 61.575 62.100 -0.142 0.000 0.994 225 T CB 0.558 69.331 68.868 -0.158 0.000 0.960 225 T HN 0.549 nan 8.240 nan 0.000 0.448 226 V N 4.636 124.552 119.914 0.003 0.000 2.370 226 V HA 0.702 4.827 4.120 0.010 0.000 0.283 226 V C 0.654 176.820 176.094 0.121 0.000 1.023 226 V CA -1.026 61.351 62.300 0.129 0.000 0.857 226 V CB 1.013 33.037 31.823 0.335 0.000 0.985 226 V HN 1.132 nan 8.190 nan 0.000 0.443 227 A N 3.991 126.830 122.820 0.032 0.000 2.401 227 A HA 0.748 5.074 4.320 0.010 0.000 0.259 227 A C 0.605 178.037 177.584 -0.253 0.000 1.103 227 A CA 0.258 52.255 52.037 -0.066 0.000 0.789 227 A CB 0.559 19.517 19.000 -0.070 0.000 1.035 227 A HN 1.047 nan 8.150 nan 0.000 0.491 228 G N 0.266 108.722 108.800 -0.573 0.000 2.417 228 G HA2 0.581 4.547 3.960 0.010 0.000 0.334 228 G HA3 0.581 4.547 3.960 0.010 0.000 0.334 228 G C -0.040 174.532 174.900 -0.545 0.000 1.150 228 G CA 0.215 44.658 45.100 -1.095 0.000 0.923 228 G HN 1.151 nan 8.290 nan 0.000 0.485 229 T N -2.250 112.059 114.554 -0.409 0.000 2.925 229 T HA 0.441 4.796 4.350 0.010 0.000 0.285 229 T C -0.138 174.454 174.700 -0.181 0.000 1.021 229 T CA -0.696 61.273 62.100 -0.218 0.000 1.042 229 T CB 1.168 69.959 68.868 -0.127 0.000 1.037 229 T HN 0.488 nan 8.240 nan 0.000 0.481 230 c N 3.402 121.920 118.600 -0.138 0.000 2.394 230 c HA 0.477 5.052 4.570 0.010 0.000 0.362 230 c C 1.042 175.066 174.090 -0.111 0.000 1.268 230 c CA -0.921 55.339 56.329 -0.115 0.000 1.828 230 c CB -0.793 41.656 42.510 -0.101 0.000 2.442 230 c HN 0.838 nan 8.230 nan 0.000 0.549 231 V N 4.331 124.189 119.914 -0.093 0.000 3.083 231 V HA -0.081 4.045 4.120 0.010 0.000 0.303 231 V C 0.713 176.715 176.094 -0.154 0.000 1.151 231 V CA 0.689 62.927 62.300 -0.104 0.000 1.275 231 V CB 0.155 31.939 31.823 -0.066 0.000 0.950 231 V HN 0.759 nan 8.190 nan 0.000 0.506 232 D N 2.778 123.051 120.400 -0.212 0.000 2.583 232 D HA 0.025 4.671 4.640 0.010 0.000 0.232 232 D C 0.851 176.900 176.300 -0.418 0.000 1.128 232 D CA 0.957 54.714 54.000 -0.405 0.000 0.859 232 D CB -0.161 40.337 40.800 -0.503 0.000 1.169 232 D HN 0.893 nan 8.370 nan 0.000 0.481 233 H N -1.739 117.161 119.070 -0.282 0.000 3.237 233 H HA -0.162 4.400 4.556 0.010 0.000 0.231 233 H C -0.105 175.047 175.328 -0.294 0.000 1.148 233 H CA 0.731 56.497 56.048 -0.470 0.000 1.155 233 H CB -1.264 27.960 29.762 -0.897 0.000 1.210 233 H HN 0.423 nan 8.280 nan 0.000 0.317 234 A N 0.614 123.366 122.820 -0.113 0.000 2.356 234 A HA 0.869 5.195 4.320 0.010 0.000 0.323 234 A C 0.166 177.707 177.584 -0.071 0.000 1.119 234 A CA 0.027 52.022 52.037 -0.072 0.000 0.790 234 A CB 1.751 20.714 19.000 -0.062 0.000 1.273 234 A HN 0.684 nan 8.150 nan 0.000 0.452 235 V N -1.511 118.373 119.914 -0.050 0.000 3.232 235 V HA 0.803 4.928 4.120 0.010 0.000 0.303 235 V C -0.862 175.209 176.094 -0.038 0.000 1.311 235 V CA -0.740 61.533 62.300 -0.046 0.000 1.061 235 V CB 1.092 32.895 31.823 -0.033 0.000 1.085 235 V HN 1.535 nan 8.190 nan 0.000 0.447 236 V N 3.988 123.881 119.914 -0.036 0.000 2.350 236 V HA 0.657 4.782 4.120 0.010 0.000 0.276 236 V C -1.847 174.235 176.094 -0.020 0.000 1.028 236 V CA -1.402 60.881 62.300 -0.028 0.000 0.860 236 V CB 0.997 32.801 31.823 -0.030 0.000 0.990 236 V HN 1.086 nan 8.190 nan 0.000 0.453 237 P HA 0.380 nan 4.420 nan 0.000 0.272 237 P C -2.923 174.373 177.300 -0.007 0.000 1.240 237 P CA -1.654 61.438 63.100 -0.014 0.000 0.791 237 P CB -0.074 31.615 31.700 -0.018 0.000 0.978 238 P HA 0.320 nan 4.420 nan 0.000 0.287 238 P C -0.097 177.206 177.300 0.004 0.000 1.307 238 P CA 0.058 63.160 63.100 0.003 0.000 0.777 238 P CB 0.395 32.100 31.700 0.008 0.000 0.883 239 G N 2.647 111.449 108.800 0.004 0.000 4.040 239 G HA2 0.497 4.462 3.960 0.010 0.000 0.328 239 G HA3 0.497 4.462 3.960 0.010 0.000 0.328 239 G C 0.263 175.164 174.900 0.002 0.000 1.503 239 G CA -0.497 44.605 45.100 0.003 0.000 0.909 239 G HN 0.578 nan 8.290 nan 0.000 0.495 240 G N 0.322 109.121 108.800 -0.000 0.000 2.621 240 G HA2 0.476 4.441 3.960 0.010 0.000 0.271 240 G HA3 0.476 4.441 3.960 0.010 0.000 0.271 240 G C -0.051 174.850 174.900 0.002 0.000 1.236 240 G CA -0.550 44.551 45.100 0.001 0.000 0.958 240 G HN 0.357 nan 8.290 nan 0.000 0.512 241 E N 0.450 120.653 120.200 0.006 0.000 2.373 241 E HA 0.150 4.505 4.350 0.010 0.000 0.267 241 E C -0.106 176.496 176.600 0.003 0.000 1.032 241 E CA 0.007 56.412 56.400 0.009 0.000 0.889 241 E CB 1.175 30.886 29.700 0.018 0.000 0.984 241 E HN 0.577 nan 8.360 nan 0.000 0.425 242 E N 2.215 122.414 120.200 -0.002 0.000 2.343 242 E HA 0.295 4.651 4.350 0.010 0.000 0.269 242 E C -2.516 174.080 176.600 -0.007 0.000 1.047 242 E CA -2.369 54.022 56.400 -0.015 0.000 0.874 242 E CB -0.212 29.472 29.700 -0.028 0.000 1.033 242 E HN 0.044 nan 8.360 nan 0.000 0.409 243 P HA 0.003 nan 4.420 nan 0.000 0.261 243 P C -0.838 176.501 177.300 0.065 0.000 1.183 243 P CA 0.405 63.519 63.100 0.023 0.000 0.761 243 P CB 0.439 32.077 31.700 -0.105 0.000 0.785 247 c N 3.232 121.893 118.600 0.102 0.000 2.225 247 c HA 0.836 5.412 4.570 0.010 0.000 0.328 247 c C 0.957 174.976 174.090 -0.118 0.000 1.187 247 c CA -0.007 56.158 56.329 -0.272 0.000 1.665 247 c CB -1.928 40.302 42.510 -0.467 0.000 2.253 247 c HN 0.793 nan 8.230 nan 0.000 0.497 248 A N 4.384 127.139 122.820 -0.109 0.000 2.287 248 A HA 0.449 4.775 4.320 0.010 0.000 0.273 248 A C 1.391 178.945 177.584 -0.050 0.000 1.091 248 A CA 0.247 52.255 52.037 -0.049 0.000 0.817 248 A CB 0.338 19.320 19.000 -0.030 0.000 1.069 248 A HN 1.633 nan 8.150 nan 0.000 0.492 249 V N -1.114 118.795 119.914 -0.008 0.000 2.380 249 V HA -0.247 3.878 4.120 0.010 0.000 0.251 249 V C 1.391 177.525 176.094 0.067 0.000 1.063 249 V CA 2.565 64.890 62.300 0.042 0.000 1.055 249 V CB -1.431 30.428 31.823 0.060 0.000 0.657 249 V HN 0.869 nan 8.190 nan 0.000 0.455 250 D N 1.042 121.449 120.400 0.012 0.000 2.378 250 D HA 0.244 4.889 4.640 0.010 0.000 0.227 250 D C 1.549 177.814 176.300 -0.058 0.000 1.012 250 D CA 0.758 54.742 54.000 -0.025 0.000 0.905 250 D CB -0.506 40.274 40.800 -0.033 0.000 0.895 250 D HN 1.019 nan 8.370 nan 0.000 0.532 251 G N -0.378 108.378 108.800 -0.073 0.000 2.149 251 G HA2 -0.239 3.727 3.960 0.010 0.000 0.235 251 G HA3 -0.239 3.727 3.960 0.010 0.000 0.235 251 G C -0.360 174.419 174.900 -0.202 0.000 1.018 251 G CA -0.203 44.817 45.100 -0.132 0.000 0.728 251 G HN 0.340 nan 8.290 nan 0.000 0.508 252 E N -1.000 119.089 120.200 -0.185 0.000 2.195 252 E HA 0.449 4.805 4.350 0.010 0.000 0.271 252 E C -0.254 176.241 176.600 -0.176 0.000 0.923 252 E CA -0.919 55.392 56.400 -0.149 0.000 0.790 252 E CB 1.104 30.775 29.700 -0.048 0.000 1.155 252 E HN 0.329 nan 8.360 nan 0.000 0.402 253 W N 3.055 124.336 121.300 -0.033 0.000 2.266 253 W HA 0.084 4.750 4.660 0.010 0.000 0.317 253 W C 1.146 177.640 176.519 -0.040 0.000 1.310 253 W CA -0.316 56.996 57.345 -0.056 0.000 1.207 253 W CB 0.782 30.168 29.460 -0.123 0.000 1.199 253 W HN 0.343 nan 8.180 nan 0.000 0.544 254 L N 2.434 123.823 121.223 0.277 0.000 2.864 254 L HA 0.320 4.666 4.340 0.010 0.000 0.177 254 L C 0.095 177.028 176.870 0.105 0.000 1.341 254 L CA 0.528 55.449 54.840 0.135 0.000 0.892 254 L CB -0.350 41.752 42.059 0.071 0.000 1.290 254 L HN -0.018 nan 8.230 nan 0.000 0.545 255 V N 2.662 122.660 119.914 0.139 0.000 2.277 255 V HA 0.269 4.395 4.120 0.010 0.000 0.269 255 V C -2.260 173.951 176.094 0.195 0.000 1.036 255 V CA -1.396 60.958 62.300 0.089 0.000 0.821 255 V CB 0.752 32.515 31.823 -0.099 0.000 1.052 255 V HN 0.296 nan 8.190 nan 0.000 0.462 256 P HA 0.330 nan 4.420 nan 0.000 0.271 256 P C -0.505 176.827 177.300 0.053 0.000 1.226 256 P CA 0.264 63.366 63.100 0.003 0.000 0.765 256 P CB 0.620 32.289 31.700 -0.052 0.000 0.835 257 I N 2.237 122.849 120.570 0.071 0.000 2.509 257 I HA 0.563 4.739 4.170 0.010 0.000 0.293 257 I C 0.800 176.956 176.117 0.065 0.000 1.020 257 I CA -0.332 61.014 61.300 0.077 0.000 1.088 257 I CB 1.865 39.926 38.000 0.102 0.000 1.267 257 I HN 0.599 nan 8.210 nan 0.000 0.430 258 G N 4.695 113.523 108.800 0.046 0.000 2.877 258 G HA2 -0.199 3.766 3.960 0.010 0.000 0.279 258 G HA3 -0.199 3.766 3.960 0.010 0.000 0.279 258 G C -0.971 173.951 174.900 0.037 0.000 1.431 258 G CA -0.283 44.838 45.100 0.034 0.000 0.883 258 G HN 0.804 nan 8.290 nan 0.000 0.547 259 Q N -1.878 117.934 119.800 0.021 0.000 2.578 259 Q HA 0.494 4.839 4.340 0.010 0.000 0.284 259 Q C -1.383 174.615 176.000 -0.003 0.000 0.960 259 Q CA -0.723 55.090 55.803 0.017 0.000 0.809 259 Q CB 1.660 30.405 28.738 0.011 0.000 1.462 259 Q HN 1.058 nan 8.270 nan 0.000 0.392 260 c N 2.713 121.308 118.600 -0.009 0.000 2.329 260 c HA 0.683 5.258 4.570 0.010 0.000 0.329 260 c C -0.287 173.791 174.090 -0.021 0.000 1.275 260 c CA -0.427 55.887 56.329 -0.025 0.000 1.726 260 c CB 0.133 42.617 42.510 -0.042 0.000 2.291 260 c HN 0.613 nan 8.230 nan 0.000 0.514 261 L N 1.995 123.203 121.223 -0.025 0.000 2.330 261 L HA 0.469 4.814 4.340 0.010 0.000 0.271 261 L C -0.130 176.727 176.870 -0.022 0.000 1.013 261 L CA -0.530 54.295 54.840 -0.024 0.000 0.816 261 L CB 1.186 43.227 42.059 -0.029 0.000 1.287 261 L HN 0.624 nan 8.230 nan 0.000 0.435 262 c N 1.824 120.416 118.600 -0.012 0.000 2.633 262 c HA 0.038 4.614 4.570 0.010 0.000 0.415 262 c C 0.815 174.916 174.090 0.019 0.000 1.393 262 c CA -0.288 56.046 56.329 0.008 0.000 1.700 262 c CB -0.222 42.310 42.510 0.036 0.000 2.541 262 c HN 0.718 nan 8.230 nan 0.000 0.603 263 Q N 2.913 122.726 119.800 0.022 0.000 2.479 263 Q HA 0.299 4.644 4.340 0.010 0.000 0.267 263 Q C 0.334 176.412 176.000 0.130 0.000 1.071 263 Q CA -0.119 55.713 55.803 0.048 0.000 0.935 263 Q CB 0.578 29.329 28.738 0.021 0.000 1.295 263 Q HN 0.878 nan 8.270 nan 0.000 0.476 264 A N 1.646 124.525 122.820 0.099 0.000 2.540 264 A HA 0.388 4.714 4.320 0.010 0.000 0.239 264 A C 1.131 178.817 177.584 0.170 0.000 1.061 264 A CA 0.717 52.810 52.037 0.093 0.000 0.758 264 A CB -0.635 18.410 19.000 0.075 0.000 0.991 264 A HN 1.379 nan 8.150 nan 0.000 0.502 265 G N 0.327 109.177 108.800 0.083 0.000 2.217 265 G HA2 -0.228 3.738 3.960 0.010 0.000 0.246 265 G HA3 -0.228 3.738 3.960 0.010 0.000 0.246 265 G C -0.033 174.713 174.900 -0.257 0.000 0.990 265 G CA 0.632 45.705 45.100 -0.046 0.000 0.627 265 G HN 0.910 nan 8.290 nan 0.000 0.522 266 Y N 1.147 121.420 120.300 -0.045 0.000 2.562 266 Y HA 0.633 5.189 4.550 0.010 0.000 0.343 266 Y C 0.375 176.234 175.900 -0.068 0.000 1.025 266 Y CA -0.504 57.553 58.100 -0.070 0.000 1.082 266 Y CB 1.592 40.008 38.460 -0.074 0.000 1.264 266 Y HN 0.432 nan 8.280 nan 0.000 0.478 267 E N 0.211 120.461 120.200 0.084 0.000 2.392 267 E HA 0.432 4.787 4.350 0.010 0.000 0.269 267 E C -1.652 174.963 176.600 0.025 0.000 0.924 267 E CA -1.462 54.946 56.400 0.013 0.000 0.784 267 E CB 2.324 31.991 29.700 -0.054 0.000 1.292 267 E HN 0.438 nan 8.360 nan 0.000 0.447 268 K N 1.526 121.926 120.400 -0.000 0.000 2.297 268 K HA 0.304 4.630 4.320 0.010 0.000 0.286 268 K C -1.353 175.241 176.600 -0.009 0.000 1.053 268 K CA -0.498 55.790 56.287 0.002 0.000 0.940 268 K CB 0.977 33.474 32.500 -0.005 0.000 1.019 268 K HN 0.390 nan 8.250 nan 0.000 0.475 269 V N 5.737 125.651 119.914 -0.001 0.000 2.407 269 V HA 0.165 4.291 4.120 0.010 0.000 0.291 269 V C 0.285 176.379 176.094 -0.001 0.000 1.018 269 V CA -0.630 61.665 62.300 -0.008 0.000 0.842 269 V CB 1.083 32.899 31.823 -0.011 0.000 0.996 269 V HN 1.065 nan 8.190 nan 0.000 0.426 270 E N 3.396 123.594 120.200 -0.005 0.000 3.287 270 E HA -0.304 4.052 4.350 0.010 0.000 0.405 270 E C 0.196 176.798 176.600 0.004 0.000 1.541 270 E CA 2.187 58.586 56.400 -0.000 0.000 1.405 270 E CB -0.480 29.221 29.700 0.002 0.000 1.576 270 E HN 0.955 nan 8.360 nan 0.000 0.474 271 D N 0.959 121.363 120.400 0.008 0.000 2.670 271 D HA 0.542 5.188 4.640 0.010 0.000 0.255 271 D C -0.382 175.924 176.300 0.011 0.000 1.286 271 D CA 0.671 54.677 54.000 0.011 0.000 0.830 271 D CB 0.669 41.478 40.800 0.016 0.000 1.065 271 D HN 0.469 nan 8.370 nan 0.000 0.486 272 A N -0.600 122.228 122.820 0.013 0.000 2.483 272 A HA 0.732 5.058 4.320 0.010 0.000 0.286 272 A C -0.988 176.618 177.584 0.036 0.000 1.207 272 A CA -0.612 51.438 52.037 0.022 0.000 0.764 272 A CB 1.369 20.385 19.000 0.027 0.000 1.341 272 A HN 0.251 nan 8.150 nan 0.000 0.428 273 c N 0.834 119.474 118.600 0.066 0.000 2.322 273 c HA 0.631 5.207 4.570 0.010 0.000 0.324 273 c C 0.088 174.278 174.090 0.167 0.000 1.249 273 c CA -0.491 55.898 56.329 0.099 0.000 1.453 273 c CB 0.181 42.735 42.510 0.073 0.000 2.145 273 c HN 0.843 nan 8.230 nan 0.000 0.466 274 Q N 1.459 121.349 119.800 0.150 0.000 2.193 274 Q HA 0.686 5.032 4.340 0.010 0.000 0.246 274 Q C 0.007 176.084 176.000 0.128 0.000 0.959 274 Q CA -0.459 55.422 55.803 0.131 0.000 0.904 274 Q CB 1.706 30.456 28.738 0.020 0.000 1.238 274 Q HN 0.859 nan 8.270 nan 0.000 0.469 275 A N 0.559 123.292 122.820 -0.145 0.000 2.371 275 A HA 0.214 4.540 4.320 0.010 0.000 0.257 275 A C -0.186 177.207 177.584 -0.318 0.000 1.089 275 A CA -0.549 51.107 52.037 -0.636 0.000 0.794 275 A CB 0.240 18.853 19.000 -0.646 0.000 1.029 275 A HN 0.852 nan 8.150 nan 0.000 0.488 276 c N 1.990 120.407 118.600 -0.304 0.000 2.611 276 c HA 0.261 4.837 4.570 0.010 0.000 0.416 276 c C 1.440 175.478 174.090 -0.085 0.000 1.366 276 c CA -0.222 56.019 56.329 -0.147 0.000 1.761 276 c CB -0.944 41.540 42.510 -0.043 0.000 2.619 276 c HN 0.870 nan 8.230 nan 0.000 0.606 277 S N 4.613 120.258 115.700 -0.090 0.000 2.569 277 S HA 0.103 4.579 4.470 0.010 0.000 0.274 277 S C -2.243 172.468 174.600 0.184 0.000 1.353 277 S CA -0.281 57.924 58.200 0.008 0.000 1.023 277 S CB -0.002 63.156 63.200 -0.071 0.000 0.876 277 S HN 0.585 nan 8.310 nan 0.000 0.540 278 P HA 0.256 nan 4.420 nan 0.000 0.266 278 P C 0.740 178.143 177.300 0.171 0.000 1.215 278 P CA 0.667 63.839 63.100 0.119 0.000 0.763 278 P CB 0.233 31.969 31.700 0.061 0.000 0.806 279 G N 1.406 110.265 108.800 0.098 0.000 2.192 279 G HA2 -0.183 3.783 3.960 0.010 0.000 0.193 279 G HA3 -0.183 3.783 3.960 0.010 0.000 0.193 279 G C -0.213 174.526 174.900 -0.268 0.000 0.999 279 G CA -0.573 44.474 45.100 -0.088 0.000 0.659 279 G HN 0.405 nan 8.290 nan 0.000 0.503 280 F N -0.229 119.769 119.950 0.079 0.000 2.639 280 F HA 0.881 5.413 4.527 0.009 0.000 0.339 280 F C 0.185 176.136 175.800 0.251 0.000 1.071 280 F CA -0.947 57.141 58.000 0.147 0.000 0.994 280 F CB 1.700 40.725 39.000 0.042 0.000 1.341 280 F HN 0.244 nan 8.300 nan 0.000 0.498 281 F N -0.261 119.813 119.950 0.207 0.000 2.693 281 F HA 0.678 5.210 4.527 0.007 0.000 0.309 281 F C -1.716 174.181 175.800 0.162 0.000 1.129 281 F CA -1.155 56.926 58.000 0.135 0.000 0.948 281 F CB 2.035 41.096 39.000 0.103 0.000 1.315 281 F HN 0.379 nan 8.300 nan 0.000 0.447 282 K N 3.073 123.498 120.400 0.043 0.000 2.731 282 K HA 0.277 4.602 4.320 0.010 0.000 0.257 282 K C -0.588 176.070 176.600 0.096 0.000 1.032 282 K CA -0.650 55.587 56.287 -0.084 0.000 0.983 282 K CB 0.774 33.202 32.500 -0.119 0.000 1.248 282 K HN 0.769 nan 8.250 nan 0.000 0.484 283 F N 1.191 121.188 119.950 0.078 0.000 2.163 283 F HA 0.213 4.745 4.527 0.009 0.000 0.297 283 F C 0.263 176.111 175.800 0.079 0.000 1.094 283 F CA 0.023 58.105 58.000 0.138 0.000 1.290 283 F CB 0.066 39.183 39.000 0.194 0.000 1.017 283 F HN 0.218 nan 8.300 nan 0.000 0.483 284 E N 0.546 120.339 120.200 -0.678 0.000 2.221 284 E HA 0.572 4.928 4.350 0.010 0.000 0.268 284 E C -0.813 175.609 176.600 -0.297 0.000 0.933 284 E CA -1.171 54.990 56.400 -0.397 0.000 0.809 284 E CB 1.876 31.306 29.700 -0.449 0.000 1.190 284 E HN 0.219 nan 8.360 nan 0.000 0.406 285 A N 2.127 124.860 122.820 -0.145 0.000 2.545 285 A HA 0.265 4.591 4.320 0.010 0.000 0.297 285 A C 0.200 177.715 177.584 -0.115 0.000 1.340 285 A CA 0.087 52.066 52.037 -0.097 0.000 1.016 285 A CB -0.625 18.348 19.000 -0.046 0.000 1.122 285 A HN 0.530 nan 8.150 nan 0.000 0.537 286 S N 1.577 117.196 115.700 -0.136 0.000 2.855 286 S HA 0.508 4.984 4.470 0.010 0.000 0.308 286 S C 0.431 174.984 174.600 -0.078 0.000 1.077 286 S CA -0.284 57.846 58.200 -0.116 0.000 0.896 286 S CB 0.747 63.850 63.200 -0.161 0.000 1.339 286 S HN 0.551 nan 8.310 nan 0.000 0.602 287 E N 0.366 120.527 120.200 -0.065 0.000 2.460 287 E HA 0.233 4.588 4.350 0.010 0.000 0.200 287 E C 0.022 176.592 176.600 -0.050 0.000 1.011 287 E CA -0.051 56.321 56.400 -0.046 0.000 0.912 287 E CB 0.417 30.098 29.700 -0.033 0.000 0.953 287 E HN 0.463 nan 8.360 nan 0.000 0.494 288 S N 2.509 118.170 115.700 -0.065 0.000 2.589 288 S HA 0.169 4.645 4.470 0.010 0.000 0.265 288 S C -2.115 172.441 174.600 -0.073 0.000 1.342 288 S CA -0.977 57.185 58.200 -0.063 0.000 1.005 288 S CB 0.303 63.462 63.200 -0.068 0.000 0.909 288 S HN -0.006 nan 8.310 nan 0.000 0.555 289 P HA 0.338 nan 4.420 nan 0.000 0.279 289 P C -0.820 176.422 177.300 -0.097 0.000 1.276 289 P CA -0.847 62.206 63.100 -0.079 0.000 0.801 289 P CB 0.298 31.956 31.700 -0.070 0.000 1.127 290 c N 0.836 119.368 118.600 -0.113 0.000 2.648 290 c HA 0.185 4.761 4.570 0.010 0.000 0.419 290 c C 0.490 174.592 174.090 0.019 0.000 1.352 290 c CA 0.226 56.498 56.329 -0.095 0.000 1.816 290 c CB -1.808 40.635 42.510 -0.112 0.000 2.598 290 c HN 0.331 nan 8.230 nan 0.000 0.598 291 L N 3.732 124.922 121.223 -0.055 0.000 2.357 291 L HA 0.352 4.697 4.340 0.010 0.000 0.273 291 L C 0.663 177.712 176.870 0.298 0.000 1.080 291 L CA 0.186 55.058 54.840 0.053 0.000 0.803 291 L CB 0.729 42.675 42.059 -0.189 0.000 1.174 291 L HN 0.727 nan 8.230 nan 0.000 0.443 292 E N 0.887 121.220 120.200 0.220 0.000 2.383 292 E HA 0.174 4.530 4.350 0.010 0.000 0.264 292 E C -0.622 176.035 176.600 0.096 0.000 1.050 292 E CA -0.750 55.508 56.400 -0.237 0.000 0.896 292 E CB 0.526 29.972 29.700 -0.422 0.000 0.982 292 E HN 0.436 nan 8.360 nan 0.000 0.424 293 c N 4.282 122.856 118.600 -0.042 0.000 2.597 293 c HA 0.112 4.688 4.570 0.010 0.000 0.412 293 c C -1.532 172.488 174.090 -0.116 0.000 1.348 293 c CA -0.825 55.445 56.329 -0.099 0.000 1.769 293 c CB -1.067 41.323 42.510 -0.200 0.000 2.641 293 c HN 0.770 nan 8.230 nan 0.000 0.612 294 P HA 0.190 nan 4.420 nan 0.000 0.293 294 P C -0.300 176.875 177.300 -0.208 0.000 1.298 294 P CA -0.452 62.565 63.100 -0.138 0.000 0.757 294 P CB 0.323 31.938 31.700 -0.142 0.000 1.262 295 E N -0.039 120.023 120.200 -0.230 0.000 2.383 295 E HA -0.001 4.355 4.350 0.010 0.000 0.264 295 E C -0.174 176.155 176.600 -0.452 0.000 1.050 295 E CA 0.074 56.216 56.400 -0.430 0.000 0.896 295 E CB -0.155 29.245 29.700 -0.500 0.000 0.982 295 E HN 0.508 nan 8.360 nan 0.000 0.424 296 H N -0.899 117.926 119.070 -0.407 0.000 2.903 296 H HA -0.143 4.417 4.556 0.007 0.000 0.285 296 H C -0.144 174.922 175.328 -0.438 0.000 1.231 296 H CA 1.178 56.840 56.048 -0.643 0.000 1.135 296 H CB -2.338 26.700 29.762 -1.208 0.000 1.328 296 H HN 0.611 nan 8.280 nan 0.000 0.388 297 T N -1.778 112.629 114.554 -0.246 0.000 2.908 297 T HA 0.705 5.060 4.350 0.010 0.000 0.290 297 T C 0.510 175.110 174.700 -0.166 0.000 1.034 297 T CA -1.151 60.831 62.100 -0.197 0.000 1.010 297 T CB 2.623 71.356 68.868 -0.224 0.000 1.068 297 T HN 0.181 nan 8.240 nan 0.000 0.481 298 L N 2.889 124.033 121.223 -0.132 0.000 2.349 298 L HA 0.383 4.729 4.340 0.010 0.000 0.275 298 L C -1.818 174.991 176.870 -0.103 0.000 1.115 298 L CA -2.234 52.545 54.840 -0.102 0.000 0.820 298 L CB 0.483 42.498 42.059 -0.074 0.000 1.135 298 L HN 0.525 nan 8.230 nan 0.000 0.445 299 P HA -0.042 nan 4.420 nan 0.000 0.258 299 P C -0.390 176.877 177.300 -0.056 0.000 1.172 299 P CA 0.018 63.070 63.100 -0.081 0.000 0.762 299 P CB 0.301 31.963 31.700 -0.064 0.000 0.764 300 S N 5.071 120.743 115.700 -0.046 0.000 2.601 300 S HA 0.501 4.977 4.470 0.010 0.000 0.271 300 S C -2.006 172.598 174.600 0.006 0.000 1.305 300 S CA -1.314 56.877 58.200 -0.015 0.000 1.022 300 S CB 0.182 63.389 63.200 0.012 0.000 0.940 300 S HN 0.339 nan 8.310 nan 0.000 0.525 301 P HA 0.215 nan 4.420 nan 0.000 0.276 301 P C -0.311 176.992 177.300 0.004 0.000 1.261 301 P CA -0.581 62.521 63.100 0.004 0.000 0.800 301 P CB 0.391 32.090 31.700 -0.001 0.000 1.066 302 E N -0.079 120.114 120.200 -0.011 0.000 2.481 302 E HA 0.148 4.504 4.350 0.010 0.000 0.263 302 E C 0.699 177.242 176.600 -0.095 0.000 0.992 302 E CA 0.643 57.016 56.400 -0.044 0.000 0.938 302 E CB -0.482 29.187 29.700 -0.052 0.000 0.933 302 E HN 0.776 nan 8.360 nan 0.000 0.453 303 G N 2.499 111.194 108.800 -0.174 0.000 2.314 303 G HA2 -0.227 3.739 3.960 0.010 0.000 0.292 303 G HA3 -0.227 3.739 3.960 0.010 0.000 0.292 303 G C 0.002 174.816 174.900 -0.144 0.000 1.059 303 G CA 0.162 45.072 45.100 -0.316 0.000 0.982 303 G HN 0.709 nan 8.290 nan 0.000 0.505 304 A N -0.139 122.665 122.820 -0.028 0.000 2.363 304 A HA 0.799 5.125 4.320 0.010 0.000 0.270 304 A C 1.422 179.089 177.584 0.139 0.000 1.121 304 A CA 0.895 52.970 52.037 0.063 0.000 0.800 304 A CB 0.671 19.732 19.000 0.102 0.000 1.052 304 A HN 1.599 nan 8.150 nan 0.000 0.493 305 T N -1.500 113.147 114.554 0.155 0.000 3.069 305 T HA 0.411 4.767 4.350 0.010 0.000 0.252 305 T C 0.387 175.289 174.700 0.336 0.000 1.053 305 T CA 0.533 62.776 62.100 0.238 0.000 0.964 305 T CB -0.200 68.775 68.868 0.178 0.000 1.005 305 T HN 1.208 nan 8.240 nan 0.000 0.532 306 S N -0.887 114.937 115.700 0.206 0.000 2.578 306 S HA 0.433 4.909 4.470 0.010 0.000 0.285 306 S C -1.625 172.901 174.600 -0.124 0.000 1.126 306 S CA -0.854 57.350 58.200 0.007 0.000 0.878 306 S CB 0.747 63.951 63.200 0.008 0.000 1.091 306 S HN 0.405 nan 8.310 nan 0.000 0.450 307 c N 3.649 122.043 118.600 -0.344 0.000 2.239 307 c HA 0.542 5.118 4.570 0.010 0.000 0.325 307 c C 0.575 174.542 174.090 -0.205 0.000 1.231 307 c CA -0.674 55.498 56.329 -0.262 0.000 1.652 307 c CB -0.334 41.964 42.510 -0.353 0.000 2.284 307 c HN 0.925 nan 8.230 nan 0.000 0.499 308 E N 1.468 121.594 120.200 -0.124 0.000 2.415 308 E HA 0.099 4.455 4.350 0.010 0.000 0.262 308 E C -0.534 176.004 176.600 -0.103 0.000 1.038 308 E CA -0.105 56.240 56.400 -0.091 0.000 0.921 308 E CB 0.546 30.213 29.700 -0.054 0.000 0.950 308 E HN 0.759 nan 8.360 nan 0.000 0.438 309 c N 4.537 123.085 118.600 -0.086 0.000 2.388 309 c HA 0.152 4.727 4.570 0.010 0.000 0.362 309 c C 0.065 174.105 174.090 -0.084 0.000 1.266 309 c CA -0.584 55.687 56.329 -0.096 0.000 2.028 309 c CB 0.001 42.469 42.510 -0.071 0.000 2.440 309 c HN 0.773 nan 8.230 nan 0.000 0.547 310 E N 2.529 122.677 120.200 -0.088 0.000 2.415 310 E HA 0.023 4.378 4.350 0.010 0.000 0.262 310 E C -0.077 176.520 176.600 -0.005 0.000 1.038 310 E CA -0.188 56.185 56.400 -0.045 0.000 0.921 310 E CB 0.669 30.340 29.700 -0.048 0.000 0.950 310 E HN 0.728 nan 8.360 nan 0.000 0.438 311 E N 1.107 121.291 120.200 -0.026 0.000 2.585 311 E HA -0.030 4.326 4.350 0.010 0.000 0.252 311 E C 0.531 177.084 176.600 -0.078 0.000 0.981 311 E CA 1.178 57.537 56.400 -0.068 0.000 0.943 311 E CB -0.181 29.500 29.700 -0.032 0.000 0.923 311 E HN 0.826 nan 8.360 nan 0.000 0.486 312 G N 3.862 112.483 108.800 -0.299 0.000 2.428 312 G HA2 -0.216 3.750 3.960 0.010 0.000 0.199 312 G HA3 -0.216 3.750 3.960 0.010 0.000 0.199 312 G C -0.198 174.156 174.900 -0.910 0.000 1.005 312 G CA -0.202 44.633 45.100 -0.443 0.000 0.671 312 G HN 0.483 nan 8.290 nan 0.000 0.485 313 F N 0.156 119.625 119.950 -0.801 0.000 2.556 313 F HA 0.864 5.396 4.527 0.007 0.000 0.327 313 F C 0.096 175.268 175.800 -1.048 0.000 1.059 313 F CA -1.082 56.471 58.000 -0.746 0.000 0.953 313 F CB 1.645 40.421 39.000 -0.374 0.000 1.227 313 F HN -0.001 nan 8.300 nan 0.000 0.478 314 F N -0.452 119.566 119.950 0.113 0.000 2.685 314 F HA 0.673 5.205 4.527 0.008 0.000 0.315 314 F C -0.573 175.246 175.800 0.031 0.000 1.126 314 F CA -1.219 56.808 58.000 0.045 0.000 0.950 314 F CB 1.795 40.796 39.000 0.002 0.000 1.360 314 F HN 0.161 nan 8.300 nan 0.000 0.469 315 R N 0.566 121.191 120.500 0.207 0.000 2.740 315 R HA 0.835 5.181 4.340 0.010 0.000 0.282 315 R C -0.870 175.475 176.300 0.075 0.000 0.969 315 R CA -1.063 55.098 56.100 0.102 0.000 0.918 315 R CB 2.232 32.554 30.300 0.036 0.000 1.175 315 R HN 0.848 nan 8.270 nan 0.000 0.464 316 A N 3.277 126.123 122.820 0.042 0.000 2.286 316 A HA 0.398 4.723 4.320 0.010 0.000 0.286 316 A C -1.836 175.754 177.584 0.010 0.000 1.097 316 A CA -1.418 50.630 52.037 0.018 0.000 0.821 316 A CB 0.231 19.235 19.000 0.007 0.000 1.076 316 A HN 0.500 nan 8.150 nan 0.000 0.490 317 P HA -0.196 nan 4.420 nan 0.000 0.215 317 P C 1.032 178.335 177.300 0.006 0.000 1.153 317 P CA 1.654 64.758 63.100 0.006 0.000 0.853 317 P CB 0.018 31.720 31.700 0.003 0.000 0.788 318 Q N -0.663 119.139 119.800 0.004 0.000 2.234 318 Q HA -0.106 4.240 4.340 0.010 0.000 0.206 318 Q C 0.311 176.312 176.000 0.001 0.000 0.980 318 Q CA 0.759 56.565 55.803 0.005 0.000 0.869 318 Q CB -0.834 27.906 28.738 0.004 0.000 0.912 318 Q HN 0.319 nan 8.270 nan 0.000 0.436 319 D N 2.508 122.906 120.400 -0.003 0.000 2.417 319 D HA 0.082 4.728 4.640 0.010 0.000 0.250 319 D C -2.088 174.189 176.300 -0.038 0.000 1.166 319 D CA -1.357 52.634 54.000 -0.015 0.000 0.881 319 D CB 0.530 41.324 40.800 -0.009 0.000 1.164 319 D HN 0.085 nan 8.370 nan 0.000 0.467 320 P HA 0.099 nan 4.420 nan 0.000 0.271 320 P C -0.209 176.970 177.300 -0.202 0.000 1.218 320 P CA -0.434 62.585 63.100 -0.136 0.000 0.780 320 P CB 0.930 32.548 31.700 -0.136 0.000 0.901 321 A N 1.964 124.601 122.820 -0.304 0.000 2.258 321 A HA 0.071 4.397 4.320 0.010 0.000 0.206 321 A C 1.199 178.594 177.584 -0.316 0.000 1.222 321 A CA 0.378 52.241 52.037 -0.289 0.000 0.822 321 A CB -0.985 17.894 19.000 -0.203 0.000 0.804 321 A HN 0.682 nan 8.150 nan 0.000 0.483 325 c N 1.719 120.313 118.600 -0.011 0.000 2.634 325 c HA 0.476 5.052 4.570 0.010 0.000 0.417 325 c C 1.518 175.698 174.090 0.151 0.000 1.334 325 c CA 1.090 57.449 56.329 0.051 0.000 1.829 325 c CB -0.246 42.280 42.510 0.026 0.000 2.665 325 c HN 0.747 nan 8.230 nan 0.000 0.614 326 T N 2.601 117.267 114.554 0.186 0.000 2.841 326 T HA 0.715 5.071 4.350 0.010 0.000 0.276 326 T C -0.563 174.236 174.700 0.165 0.000 1.003 326 T CA -0.843 61.373 62.100 0.193 0.000 0.995 326 T CB 1.211 70.145 68.868 0.110 0.000 1.260 326 T HN 0.736 nan 8.240 nan 0.000 0.581 327 R N 0.077 120.609 120.500 0.053 0.000 2.808 327 R HA 0.578 4.924 4.340 0.010 0.000 0.272 327 R C -2.956 173.338 176.300 -0.010 0.000 0.995 327 R CA -2.310 53.765 56.100 -0.042 0.000 0.917 327 R CB 2.142 32.276 30.300 -0.278 0.000 1.217 327 R HN 0.428 nan 8.270 nan 0.000 0.471 328 P HA 0.096 nan 4.420 nan 0.000 0.269 328 P C -2.478 174.796 177.300 -0.044 0.000 1.215 328 P CA -0.987 62.092 63.100 -0.034 0.000 0.780 328 P CB 0.199 31.871 31.700 -0.046 0.000 0.898 329 P HA 0.145 nan 4.420 nan 0.000 0.276 329 P C -0.427 176.858 177.300 -0.025 0.000 1.261 329 P CA -0.393 62.693 63.100 -0.023 0.000 0.800 329 P CB 0.387 32.076 31.700 -0.018 0.000 1.066 330 S N -0.396 115.300 115.700 -0.007 0.000 2.632 330 S HA 0.650 5.126 4.470 0.010 0.000 0.271 330 S C 0.233 174.841 174.600 0.013 0.000 1.260 330 S CA -0.731 57.462 58.200 -0.013 0.000 1.010 330 S CB 0.352 63.551 63.200 -0.000 0.000 0.965 330 S HN 0.612 nan 8.310 nan 0.000 0.534 331 A N 2.049 124.858 122.820 -0.019 0.000 2.492 331 A HA 0.443 4.769 4.320 0.010 0.000 0.236 331 A C -2.264 175.363 177.584 0.071 0.000 1.078 331 A CA -0.978 51.064 52.037 0.008 0.000 0.773 331 A CB -1.300 17.663 19.000 -0.061 0.000 1.023 331 A HN 0.716 nan 8.150 nan 0.000 0.504 332 P HA -0.090 nan 4.420 nan 0.000 0.266 332 P C 0.874 178.247 177.300 0.120 0.000 1.180 332 P CA 0.453 63.655 63.100 0.171 0.000 0.765 332 P CB 0.210 31.971 31.700 0.102 0.000 0.806 333 H N 1.691 120.802 119.070 0.068 0.000 2.293 333 H HA -0.112 4.452 4.556 0.014 0.000 0.300 333 H C -0.123 175.078 175.328 -0.212 0.000 1.082 333 H CA 1.671 57.716 56.048 -0.006 0.000 1.308 333 H CB 0.179 30.038 29.762 0.162 0.000 1.375 333 H HN 0.380 nan 8.280 nan 0.000 0.495 334 Y N -1.178 119.173 120.300 0.085 0.000 2.625 334 Y HA 0.436 4.990 4.550 0.008 0.000 0.338 334 Y C -0.943 175.023 175.900 0.110 0.000 1.123 334 Y CA -0.814 57.301 58.100 0.025 0.000 1.046 334 Y CB 2.062 40.510 38.460 -0.021 0.000 1.299 334 Y HN -0.042 nan 8.280 nan 0.000 0.464 335 L N 2.233 123.617 121.223 0.269 0.000 2.470 335 L HA 0.660 5.005 4.340 0.010 0.000 0.268 335 L C -1.009 175.981 176.870 0.200 0.000 0.964 335 L CA -0.391 54.589 54.840 0.233 0.000 0.839 335 L CB 1.933 44.070 42.059 0.129 0.000 1.276 335 L HN 0.862 nan 8.230 nan 0.000 0.403 336 T N 1.223 115.895 114.554 0.196 0.000 2.924 336 T HA 0.858 5.213 4.350 0.010 0.000 0.291 336 T C -0.456 174.321 174.700 0.129 0.000 1.045 336 T CA -0.342 61.837 62.100 0.133 0.000 1.015 336 T CB 2.113 71.033 68.868 0.087 0.000 1.103 336 T HN 0.769 nan 8.240 nan 0.000 0.496 337 A N 2.063 124.943 122.820 0.099 0.000 3.158 337 A HA 0.572 4.897 4.320 0.010 0.000 0.302 337 A C -0.362 177.261 177.584 0.064 0.000 1.162 337 A CA -0.614 51.473 52.037 0.084 0.000 0.824 337 A CB 0.433 19.508 19.000 0.125 0.000 1.322 337 A HN 1.138 nan 8.150 nan 0.000 0.510 338 V N 2.323 122.260 119.914 0.039 0.000 2.408 338 V HA 0.667 4.793 4.120 0.010 0.000 0.267 338 V C 0.771 176.877 176.094 0.020 0.000 1.047 338 V CA 0.857 63.175 62.300 0.029 0.000 0.937 338 V CB 0.795 32.628 31.823 0.017 0.000 0.999 338 V HN 0.939 nan 8.190 nan 0.000 0.472 342 A N -0.070 122.762 122.820 0.021 0.000 2.267 342 A HA 0.524 4.850 4.320 0.010 0.000 0.213 342 A C 1.087 178.662 177.584 -0.014 0.000 1.192 342 A CA 0.744 52.792 52.037 0.018 0.000 0.851 342 A CB -0.034 18.976 19.000 0.017 0.000 0.881 342 A HN 0.304 nan 8.150 nan 0.000 0.494 343 K N -1.267 119.120 120.400 -0.021 0.000 2.209 343 K HA 0.660 4.985 4.320 0.010 0.000 0.238 343 K C -1.142 175.430 176.600 -0.047 0.000 1.028 343 K CA -0.421 55.836 56.287 -0.050 0.000 0.935 343 K CB 1.674 34.147 32.500 -0.045 0.000 1.162 343 K HN 0.026 nan 8.250 nan 0.000 0.485 344 V N 0.612 120.478 119.914 -0.079 0.000 3.147 344 V HA 0.194 4.320 4.120 0.010 0.000 0.299 344 V C -1.918 174.125 176.094 -0.085 0.000 1.302 344 V CA -0.684 61.573 62.300 -0.071 0.000 1.015 344 V CB 2.437 34.207 31.823 -0.088 0.000 1.086 344 V HN 0.660 nan 8.190 nan 0.000 0.437 345 E N 4.435 124.605 120.200 -0.051 0.000 2.207 345 E HA 0.386 4.742 4.350 0.010 0.000 0.250 345 E C -1.289 175.307 176.600 -0.008 0.000 0.890 345 E CA -0.505 55.870 56.400 -0.042 0.000 0.749 345 E CB 1.582 31.261 29.700 -0.036 0.000 1.193 345 E HN 0.412 nan 8.360 nan 0.000 0.423 346 L N 3.653 124.886 121.223 0.017 0.000 2.356 346 L HA 0.203 4.549 4.340 0.010 0.000 0.282 346 L C 0.301 177.267 176.870 0.160 0.000 1.132 346 L CA 0.051 54.996 54.840 0.174 0.000 0.923 346 L CB -0.172 42.037 42.059 0.250 0.000 1.278 346 L HN 0.076 nan 8.230 nan 0.000 0.436 347 R N 3.266 123.806 120.500 0.067 0.000 2.428 347 R HA 0.709 5.055 4.340 0.010 0.000 0.294 347 R C -0.926 175.402 176.300 0.046 0.000 1.000 347 R CA -0.197 55.794 56.100 -0.182 0.000 0.960 347 R CB 1.248 31.477 30.300 -0.119 0.000 1.076 347 R HN 0.503 nan 8.270 nan 0.000 0.475 348 W N -0.610 120.648 121.300 -0.070 0.000 2.988 348 W HA 0.529 5.195 4.660 0.009 0.000 0.355 348 W C -1.001 175.474 176.519 -0.073 0.000 1.233 348 W CA -1.007 56.299 57.345 -0.065 0.000 1.176 348 W CB 0.382 29.764 29.460 -0.129 0.000 1.477 348 W HN 0.575 nan 8.180 nan 0.000 0.582 349 T N -1.518 113.192 114.554 0.261 0.000 2.893 349 T HA 0.579 4.935 4.350 0.010 0.000 0.291 349 T C -2.809 172.036 174.700 0.242 0.000 1.028 349 T CA -2.202 60.011 62.100 0.188 0.000 0.995 349 T CB 2.216 71.223 68.868 0.231 0.000 1.051 349 T HN -0.034 nan 8.240 nan 0.000 0.470 350 P HA 0.198 nan 4.420 nan 0.000 0.267 350 P C -2.428 175.023 177.300 0.253 0.000 1.201 350 P CA -0.685 62.612 63.100 0.328 0.000 0.775 350 P CB -0.701 31.138 31.700 0.232 0.000 0.854 351 P HA -0.079 nan 4.420 nan 0.000 0.269 351 P C 0.702 178.054 177.300 0.086 0.000 1.205 351 P CA 0.339 63.535 63.100 0.160 0.000 0.780 351 P CB 0.286 32.056 31.700 0.116 0.000 0.858 352 Q N 0.599 120.439 119.800 0.068 0.000 2.435 352 Q HA -0.089 4.257 4.340 0.010 0.000 0.207 352 Q C -0.210 175.794 176.000 0.007 0.000 0.956 352 Q CA 0.867 56.665 55.803 -0.009 0.000 0.917 352 Q CB 0.116 28.881 28.738 0.044 0.000 0.997 352 Q HN 0.361 nan 8.270 nan 0.000 0.497 353 D N -1.020 119.395 120.400 0.025 0.000 2.336 353 D HA 0.043 4.689 4.640 0.010 0.000 0.248 353 D C 0.268 176.579 176.300 0.018 0.000 1.326 353 D CA -0.119 53.891 54.000 0.016 0.000 0.973 353 D CB 1.026 41.828 40.800 0.004 0.000 1.255 353 D HN 0.056 nan 8.370 nan 0.000 0.558 354 S N 2.402 118.116 115.700 0.023 0.000 2.500 354 S HA 0.101 4.576 4.470 0.010 0.000 0.239 354 S C 1.860 176.466 174.600 0.010 0.000 0.989 354 S CA 0.909 59.121 58.200 0.021 0.000 0.951 354 S CB -0.431 62.785 63.200 0.027 0.000 0.759 354 S HN 1.104 nan 8.310 nan 0.000 0.523 355 G N 0.537 109.341 108.800 0.007 0.000 2.162 355 G HA2 0.035 4.001 3.960 0.010 0.000 0.260 355 G HA3 0.035 4.001 3.960 0.010 0.000 0.260 355 G C 1.079 175.996 174.900 0.028 0.000 0.976 355 G CA 0.345 45.442 45.100 -0.004 0.000 0.655 355 G HN 1.950 nan 8.290 nan 0.000 0.533 356 G N -1.509 107.316 108.800 0.041 0.000 2.203 356 G HA2 -0.097 3.868 3.960 0.010 0.000 0.231 356 G HA3 -0.097 3.868 3.960 0.010 0.000 0.231 356 G C 0.078 175.006 174.900 0.047 0.000 1.058 356 G CA 1.030 46.165 45.100 0.059 0.000 0.781 356 G HN 1.041 nan 8.290 nan 0.000 0.496 357 R N -1.645 118.873 120.500 0.031 0.000 2.855 357 R HA 0.637 4.983 4.340 0.010 0.000 0.266 357 R C 0.116 176.425 176.300 0.015 0.000 1.034 357 R CA -0.871 55.241 56.100 0.021 0.000 0.944 357 R CB 1.084 31.391 30.300 0.012 0.000 1.219 357 R HN 0.068 nan 8.270 nan 0.000 0.474 358 E N 0.135 120.342 120.200 0.011 0.000 2.562 358 E HA -0.006 4.350 4.350 0.010 0.000 0.214 358 E C -0.696 175.903 176.600 -0.002 0.000 0.979 358 E CA 0.135 56.541 56.400 0.010 0.000 1.002 358 E CB 0.504 30.214 29.700 0.016 0.000 1.048 358 E HN 0.460 nan 8.360 nan 0.000 0.488 359 D N 1.308 121.700 120.400 -0.012 0.000 3.072 359 D HA 0.019 4.665 4.640 0.010 0.000 0.250 359 D C 0.184 176.448 176.300 -0.060 0.000 1.304 359 D CA -0.366 53.618 54.000 -0.025 0.000 0.861 359 D CB -0.756 40.034 40.800 -0.017 0.000 1.062 359 D HN 0.240 nan 8.370 nan 0.000 0.481 360 I N -1.270 119.247 120.570 -0.089 0.000 2.371 360 I HA 0.478 4.653 4.170 0.010 0.000 0.290 360 I C -0.028 175.900 176.117 -0.315 0.000 1.028 360 I CA -1.117 60.067 61.300 -0.192 0.000 1.345 360 I CB 1.314 39.197 38.000 -0.196 0.000 1.407 360 I HN -0.113 nan 8.210 nan 0.000 0.501 361 V N 3.709 123.418 119.914 -0.342 0.000 2.864 361 V HA 0.599 4.724 4.120 0.010 0.000 0.314 361 V C -1.108 174.746 176.094 -0.400 0.000 1.073 361 V CA -0.821 61.298 62.300 -0.302 0.000 0.956 361 V CB 1.592 33.360 31.823 -0.091 0.000 1.023 361 V HN 0.643 nan 8.190 nan 0.000 0.435 362 Y N 0.988 121.341 120.300 0.087 0.000 2.409 362 Y HA 0.767 5.321 4.550 0.007 0.000 0.339 362 Y C 0.541 176.413 175.900 -0.045 0.000 1.033 362 Y CA -0.493 57.609 58.100 0.005 0.000 1.094 362 Y CB 2.187 40.644 38.460 -0.004 0.000 1.210 362 Y HN 0.810 nan 8.280 nan 0.000 0.456 363 S N 1.799 117.528 115.700 0.048 0.000 2.500 363 S HA 0.724 5.200 4.470 0.010 0.000 0.301 363 S C -1.705 172.820 174.600 -0.125 0.000 1.092 363 S CA -0.659 57.534 58.200 -0.011 0.000 1.030 363 S CB 1.235 64.495 63.200 0.100 0.000 1.031 363 S HN 0.577 nan 8.310 nan 0.000 0.483 364 V N 5.412 125.179 119.914 -0.246 0.000 2.531 364 V HA 0.835 4.961 4.120 0.010 0.000 0.301 364 V C -0.113 175.881 176.094 -0.167 0.000 1.034 364 V CA 0.035 62.208 62.300 -0.211 0.000 0.865 364 V CB 1.491 33.199 31.823 -0.192 0.000 0.995 364 V HN 1.122 nan 8.190 nan 0.000 0.424 365 T N 3.122 117.675 114.554 -0.002 0.000 2.841 365 T HA 0.739 5.095 4.350 0.010 0.000 0.276 365 T C -0.399 174.425 174.700 0.206 0.000 1.003 365 T CA -0.566 61.589 62.100 0.091 0.000 0.995 365 T CB 1.639 70.532 68.868 0.042 0.000 1.260 365 T HN 1.231 nan 8.240 nan 0.000 0.581 366 c N 0.267 118.955 118.600 0.147 0.000 2.985 366 c HA 0.651 5.227 4.570 0.010 0.000 0.332 366 c C -1.368 172.685 174.090 -0.060 0.000 1.164 366 c CA -0.364 55.988 56.329 0.038 0.000 1.347 366 c CB 0.740 43.379 42.510 0.215 0.000 1.764 366 c HN 1.016 nan 8.230 nan 0.000 0.489 367 E N 2.896 122.989 120.200 -0.180 0.000 2.195 367 E HA 0.397 4.753 4.350 0.010 0.000 0.271 367 E C -0.958 175.594 176.600 -0.080 0.000 0.923 367 E CA -0.280 56.054 56.400 -0.110 0.000 0.790 367 E CB 2.266 31.892 29.700 -0.123 0.000 1.155 367 E HN 0.750 nan 8.360 nan 0.000 0.402 377 G N 0.366 109.141 108.800 -0.042 0.000 2.353 377 G HA2 0.412 4.378 3.960 0.010 0.000 0.308 377 G HA3 0.412 4.378 3.960 0.010 0.000 0.308 377 G C -3.616 171.273 174.900 -0.018 0.000 1.418 377 G CA -0.774 44.310 45.100 -0.027 0.000 0.966 377 G HN 0.517 nan 8.290 nan 0.000 0.638 378 P HA 0.342 nan 4.420 nan 0.000 0.265 378 P C 0.492 177.818 177.300 0.043 0.000 1.193 378 P CA -0.221 62.888 63.100 0.015 0.000 0.765 378 P CB 0.393 32.104 31.700 0.019 0.000 0.823 379 c N 2.146 120.789 118.600 0.072 0.000 2.676 379 c HA 0.393 4.969 4.570 0.010 0.000 0.416 379 c C 1.717 175.869 174.090 0.104 0.000 1.299 379 c CA 0.086 56.480 56.329 0.109 0.000 2.048 379 c CB -0.623 41.971 42.510 0.141 0.000 2.713 379 c HN 0.753 nan 8.230 nan 0.000 0.624 380 E N 1.332 121.588 120.200 0.095 0.000 4.452 380 E HA 0.427 4.783 4.350 0.010 0.000 0.538 380 E C 1.340 177.996 176.600 0.094 0.000 0.919 380 E CA 0.437 56.886 56.400 0.082 0.000 3.456 380 E CB -0.467 29.273 29.700 0.067 0.000 2.092 380 E HN 0.991 nan 8.360 nan 0.000 0.530 381 A N -0.171 122.695 122.820 0.078 0.000 2.308 381 A HA 0.280 4.606 4.320 0.010 0.000 0.217 381 A C 2.184 179.799 177.584 0.051 0.000 1.216 381 A CA 1.287 53.372 52.037 0.079 0.000 0.864 381 A CB -0.583 18.458 19.000 0.068 0.000 0.902 381 A HN 0.748 nan 8.150 nan 0.000 0.499 382 S N -0.640 115.088 115.700 0.046 0.000 2.400 382 S HA -0.034 4.442 4.470 0.010 0.000 0.232 382 S C 0.706 175.292 174.600 -0.024 0.000 1.025 382 S CA 0.890 59.106 58.200 0.027 0.000 0.993 382 S CB -0.654 62.579 63.200 0.056 0.000 0.808 382 S HN 0.164 nan 8.310 nan 0.000 0.478 383 V N 2.617 122.492 119.914 -0.066 0.000 2.465 383 V HA 0.465 4.591 4.120 0.010 0.000 0.279 383 V C 0.061 175.983 176.094 -0.287 0.000 1.045 383 V CA -0.686 61.487 62.300 -0.212 0.000 0.938 383 V CB 1.179 32.822 31.823 -0.300 0.000 0.986 383 V HN 0.272 nan 8.190 nan 0.000 0.467 384 R N 3.785 124.112 120.500 -0.288 0.000 2.294 384 R HA 0.494 4.840 4.340 0.010 0.000 0.319 384 R C -1.276 174.830 176.300 -0.323 0.000 0.984 384 R CA -0.288 55.688 56.100 -0.207 0.000 0.861 384 R CB 0.723 30.968 30.300 -0.092 0.000 1.104 384 R HN 0.574 nan 8.270 nan 0.000 0.451 385 Y N 0.515 120.798 120.300 -0.029 0.000 2.320 385 Y HA 0.092 4.648 4.550 0.010 0.000 0.334 385 Y C 1.594 177.476 175.900 -0.030 0.000 1.055 385 Y CA -0.282 57.792 58.100 -0.044 0.000 1.143 385 Y CB 1.667 40.101 38.460 -0.043 0.000 1.193 385 Y HN 0.751 nan 8.280 nan 0.000 0.477 386 S N 0.382 116.139 115.700 0.095 0.000 2.419 386 S HA -0.073 4.403 4.470 0.010 0.000 0.235 386 S C 0.189 174.827 174.600 0.064 0.000 1.019 386 S CA 0.983 59.213 58.200 0.050 0.000 0.982 386 S CB -0.088 63.123 63.200 0.019 0.000 0.789 386 S HN 0.652 nan 8.310 nan 0.000 0.490 387 E N 0.679 120.936 120.200 0.095 0.000 2.429 387 E HA 0.423 4.779 4.350 0.010 0.000 0.276 387 E C -3.190 173.441 176.600 0.053 0.000 0.953 387 E CA -2.546 53.892 56.400 0.065 0.000 0.787 387 E CB 0.963 30.692 29.700 0.048 0.000 1.307 387 E HN 0.023 nan 8.360 nan 0.000 0.458 388 P HA 0.026 nan 4.420 nan 0.000 0.262 388 P C -2.136 175.088 177.300 -0.126 0.000 1.182 388 P CA -0.702 62.383 63.100 -0.024 0.000 0.761 388 P CB 0.185 31.892 31.700 0.012 0.000 0.795 389 P HA -0.050 nan 4.420 nan 0.000 0.224 389 P C 0.164 177.111 177.300 -0.589 0.000 1.157 389 P CA 1.396 64.089 63.100 -0.679 0.000 0.799 389 P CB 0.093 30.991 31.700 -1.336 0.000 0.809 390 H N -0.551 118.446 119.070 -0.122 0.000 2.466 390 H HA 0.473 5.034 4.556 0.009 0.000 0.338 390 H C 0.925 176.239 175.328 -0.024 0.000 1.091 390 H CA -0.362 55.645 56.048 -0.067 0.000 1.207 390 H CB 1.221 30.941 29.762 -0.071 0.000 1.466 390 H HN 0.109 nan 8.280 nan 0.000 0.493 391 G N 3.352 112.211 108.800 0.098 0.000 2.370 391 G HA2 -0.213 3.752 3.960 0.010 0.000 0.268 391 G HA3 -0.213 3.752 3.960 0.010 0.000 0.268 391 G C -0.361 174.584 174.900 0.076 0.000 1.122 391 G CA -0.383 44.758 45.100 0.067 0.000 0.963 391 G HN 0.474 nan 8.290 nan 0.000 0.500 392 L N -0.260 121.036 121.223 0.121 0.000 2.360 392 L HA 0.721 5.067 4.340 0.010 0.000 0.271 392 L C 1.780 178.789 176.870 0.233 0.000 1.057 392 L CA 0.058 55.010 54.840 0.187 0.000 0.803 392 L CB 1.672 43.902 42.059 0.286 0.000 1.207 392 L HN 0.461 nan 8.230 nan 0.000 0.445 393 T N -2.667 112.011 114.554 0.206 0.000 2.958 393 T HA 0.248 4.604 4.350 0.010 0.000 0.256 393 T C 0.875 175.705 174.700 0.216 0.000 0.983 393 T CA -0.438 61.777 62.100 0.193 0.000 0.924 393 T CB 0.247 69.173 68.868 0.097 0.000 1.136 393 T HN 0.398 nan 8.240 nan 0.000 0.506 394 R N 1.701 122.292 120.500 0.152 0.000 2.571 394 R HA 0.533 4.879 4.340 0.010 0.000 0.259 394 R C 0.712 176.890 176.300 -0.203 0.000 1.226 394 R CA 0.272 56.366 56.100 -0.010 0.000 1.157 394 R CB 0.033 30.291 30.300 -0.071 0.000 1.220 394 R HN 0.332 nan 8.270 nan 0.000 0.605 395 T N -2.750 111.429 114.554 -0.625 0.000 3.487 395 T HA 0.257 4.613 4.350 0.010 0.000 0.287 395 T C -0.728 172.833 174.700 -1.898 0.000 1.004 395 T CA -0.551 60.617 62.100 -1.554 0.000 0.977 395 T CB -0.219 68.170 68.868 -0.798 0.000 1.180 395 T HN 0.557 nan 8.240 nan 0.000 0.490 396 S N -0.397 114.552 115.700 -1.252 0.000 2.560 396 S HA 0.695 5.170 4.470 0.010 0.000 0.283 396 S C -1.317 173.140 174.600 -0.238 0.000 1.141 396 S CA -0.768 57.000 58.200 -0.721 0.000 0.902 396 S CB 1.521 64.444 63.200 -0.462 0.000 1.104 396 S HN 0.354 nan 8.310 nan 0.000 0.454 397 V N 1.247 121.145 119.914 -0.026 0.000 2.971 397 V HA 0.715 4.841 4.120 0.010 0.000 0.309 397 V C -0.634 175.462 176.094 0.004 0.000 1.130 397 V CA -0.694 61.636 62.300 0.049 0.000 0.964 397 V CB 2.526 34.454 31.823 0.176 0.000 1.029 397 V HN 1.027 nan 8.190 nan 0.000 0.427 398 T N 3.057 117.602 114.554 -0.015 0.000 2.788 398 T HA 0.540 4.896 4.350 0.010 0.000 0.296 398 T C -0.319 174.322 174.700 -0.099 0.000 1.009 398 T CA -0.348 61.715 62.100 -0.063 0.000 0.949 398 T CB 1.251 70.087 68.868 -0.053 0.000 0.946 398 T HN 0.821 nan 8.240 nan 0.000 0.453 399 V N 1.962 121.756 119.914 -0.201 0.000 2.713 399 V HA 0.978 5.103 4.120 0.010 0.000 0.307 399 V C -0.151 175.799 176.094 -0.240 0.000 1.052 399 V CA -0.558 61.551 62.300 -0.318 0.000 0.967 399 V CB 1.588 33.080 31.823 -0.552 0.000 1.019 399 V HN 0.955 nan 8.190 nan 0.000 0.459 400 S N 1.436 117.001 115.700 -0.226 0.000 2.685 400 S HA 0.644 5.120 4.470 0.010 0.000 0.282 400 S C -0.428 174.090 174.600 -0.136 0.000 1.159 400 S CA 0.102 58.215 58.200 -0.144 0.000 0.833 400 S CB 1.541 64.685 63.200 -0.093 0.000 1.151 400 S HN 1.630 nan 8.310 nan 0.000 0.485 401 D N -0.356 119.997 120.400 -0.078 0.000 2.760 401 D HA -0.112 4.533 4.640 0.010 0.000 0.244 401 D C -1.481 174.791 176.300 -0.048 0.000 1.096 401 D CA 0.231 54.203 54.000 -0.047 0.000 0.716 401 D CB -1.316 39.456 40.800 -0.047 0.000 1.075 401 D HN 0.427 nan 8.370 nan 0.000 0.434 402 L N 1.904 123.106 121.223 -0.035 0.000 2.264 402 L HA 0.351 4.697 4.340 0.010 0.000 0.287 402 L C 0.461 177.433 176.870 0.169 0.000 1.039 402 L CA -0.525 54.320 54.840 0.008 0.000 0.829 402 L CB 1.165 43.181 42.059 -0.073 0.000 1.211 402 L HN -0.005 nan 8.230 nan 0.000 0.427 403 E N 5.026 125.360 120.200 0.224 0.000 2.498 403 E HA 0.082 4.438 4.350 0.010 0.000 0.252 403 E C -2.013 174.713 176.600 0.209 0.000 1.025 403 E CA -0.991 55.521 56.400 0.186 0.000 0.938 403 E CB -0.257 29.539 29.700 0.160 0.000 0.947 403 E HN 0.330 nan 8.360 nan 0.000 0.478 404 P HA -0.089 nan 4.420 nan 0.000 0.270 404 P C -0.125 177.300 177.300 0.209 0.000 1.221 404 P CA 0.361 63.563 63.100 0.170 0.000 0.788 404 P CB 0.400 32.184 31.700 0.141 0.000 0.904 408 Y N 0.471 120.683 120.300 -0.147 0.000 2.335 408 Y HA 0.650 5.206 4.550 0.010 0.000 0.323 408 Y C 1.298 176.958 175.900 -0.400 0.000 1.224 408 Y CA -0.527 57.368 58.100 -0.341 0.000 1.241 408 Y CB 1.480 39.612 38.460 -0.546 0.000 1.235 408 Y HN 0.571 nan 8.280 nan 0.000 0.492 409 T N 0.026 114.382 114.554 -0.329 0.000 2.809 409 T HA 0.622 4.978 4.350 0.010 0.000 0.284 409 T C -1.165 173.310 174.700 -0.376 0.000 0.992 409 T CA -0.767 61.183 62.100 -0.250 0.000 0.957 409 T CB -0.145 68.652 68.868 -0.119 0.000 0.942 409 T HN 0.309 nan 8.240 nan 0.000 0.439 410 F N 2.622 122.594 119.950 0.037 0.000 2.420 410 F HA 0.570 5.103 4.527 0.010 0.000 0.342 410 F C 1.169 176.940 175.800 -0.050 0.000 1.113 410 F CA -0.733 57.270 58.000 0.005 0.000 1.059 410 F CB 2.038 41.051 39.000 0.022 0.000 1.128 410 F HN 0.749 nan 8.300 nan 0.000 0.475 411 T N 0.722 115.311 114.554 0.058 0.000 2.797 411 T HA 0.741 5.097 4.350 0.010 0.000 0.279 411 T C -1.013 173.622 174.700 -0.107 0.000 0.991 411 T CA -0.696 61.358 62.100 -0.076 0.000 0.979 411 T CB 1.125 69.825 68.868 -0.280 0.000 0.943 411 T HN 0.341 nan 8.240 nan 0.000 0.444 412 V N 4.768 124.600 119.914 -0.138 0.000 2.378 412 V HA 0.499 4.625 4.120 0.010 0.000 0.288 412 V C 0.118 176.164 176.094 -0.081 0.000 1.016 412 V CA -0.892 61.255 62.300 -0.255 0.000 0.840 412 V CB 0.974 32.405 31.823 -0.655 0.000 0.994 412 V HN 1.070 nan 8.190 nan 0.000 0.431 413 E N 4.247 124.445 120.200 -0.004 0.000 2.202 413 E HA 0.835 5.191 4.350 0.010 0.000 0.272 413 E C -0.557 176.109 176.600 0.110 0.000 0.951 413 E CA -0.862 55.616 56.400 0.131 0.000 0.813 413 E CB 2.177 31.994 29.700 0.194 0.000 1.151 413 E HN 0.698 nan 8.360 nan 0.000 0.398 414 A N 3.237 126.131 122.820 0.122 0.000 2.318 414 A HA 0.670 4.996 4.320 0.010 0.000 0.324 414 A C -0.666 176.898 177.584 -0.034 0.000 1.170 414 A CA -0.940 51.129 52.037 0.054 0.000 0.810 414 A CB 0.630 19.724 19.000 0.157 0.000 1.198 414 A HN 0.779 nan 8.150 nan 0.000 0.484 415 R N 1.375 121.812 120.500 -0.106 0.000 2.740 415 R HA 0.708 5.053 4.340 0.010 0.000 0.273 415 R C -0.833 175.402 176.300 -0.109 0.000 0.998 415 R CA -0.901 55.149 56.100 -0.082 0.000 0.900 415 R CB 1.218 31.488 30.300 -0.049 0.000 1.223 415 R HN 0.685 nan 8.270 nan 0.000 0.466 416 N N -0.338 118.314 118.700 -0.079 0.000 3.002 416 N HA 0.280 5.026 4.740 0.010 0.000 0.331 416 N C 0.596 176.075 175.510 -0.051 0.000 1.384 416 N CA -0.668 52.341 53.050 -0.068 0.000 0.780 416 N CB 0.218 38.675 38.487 -0.050 0.000 1.492 416 N HN 0.688 nan 8.380 nan 0.000 0.608 417 G N -1.400 107.378 108.800 -0.036 0.000 2.807 417 G HA2 0.004 3.969 3.960 0.010 0.000 0.207 417 G HA3 0.004 3.969 3.960 0.010 0.000 0.207 417 G C 0.315 175.197 174.900 -0.031 0.000 1.151 417 G CA 0.397 45.479 45.100 -0.029 0.000 0.800 417 G HN 0.355 nan 8.290 nan 0.000 0.523 418 V N -0.875 119.015 119.914 -0.039 0.000 3.398 418 V HA 0.121 4.247 4.120 0.010 0.000 0.298 418 V C 2.140 178.159 176.094 -0.125 0.000 1.496 418 V CA 0.828 63.095 62.300 -0.056 0.000 1.044 418 V CB 0.452 32.289 31.823 0.023 0.000 0.880 418 V HN 0.280 nan 8.190 nan 0.000 0.443 419 S N 0.803 116.443 115.700 -0.100 0.000 2.402 419 S HA -0.080 4.396 4.470 0.010 0.000 0.229 419 S C 1.938 176.455 174.600 -0.138 0.000 1.021 419 S CA 1.392 59.525 58.200 -0.113 0.000 0.974 419 S CB -0.280 62.876 63.200 -0.074 0.000 0.800 419 S HN 0.735 nan 8.310 nan 0.000 0.484 420 G N 0.976 109.703 108.800 -0.122 0.000 2.586 420 G HA2 -0.066 3.900 3.960 0.010 0.000 0.215 420 G HA3 -0.066 3.900 3.960 0.010 0.000 0.215 420 G C 1.034 175.833 174.900 -0.168 0.000 1.128 420 G CA 0.336 45.365 45.100 -0.118 0.000 0.774 420 G HN 0.354 nan 8.290 nan 0.000 0.543 421 L N -0.450 120.613 121.223 -0.267 0.000 2.416 421 L HA 0.323 4.669 4.340 0.010 0.000 0.216 421 L C 0.864 177.452 176.870 -0.470 0.000 1.098 421 L CA 0.612 55.206 54.840 -0.410 0.000 0.840 421 L CB 0.026 41.696 42.059 -0.648 0.000 0.981 421 L HN 0.105 nan 8.230 nan 0.000 0.462 422 V N -0.384 119.301 119.914 -0.383 0.000 2.864 422 V HA 0.311 4.437 4.120 0.010 0.000 0.314 422 V C 1.037 177.046 176.094 -0.142 0.000 1.073 422 V CA -0.127 62.015 62.300 -0.263 0.000 0.956 422 V CB 2.191 33.873 31.823 -0.235 0.000 1.023 422 V HN 0.381 nan 8.190 nan 0.000 0.435 423 T N 0.605 115.104 114.554 -0.091 0.000 3.186 423 T HA 0.255 4.611 4.350 0.010 0.000 0.257 423 T C 0.690 175.367 174.700 -0.038 0.000 1.029 423 T CA 0.439 62.505 62.100 -0.058 0.000 0.916 423 T CB 0.010 68.853 68.868 -0.043 0.000 1.041 423 T HN 0.533 nan 8.240 nan 0.000 0.562 424 S N 0.953 116.625 115.700 -0.046 0.000 2.661 424 S HA 0.654 5.130 4.470 0.010 0.000 0.265 424 S C -0.375 174.210 174.600 -0.025 0.000 1.225 424 S CA -0.784 57.393 58.200 -0.039 0.000 0.986 424 S CB 0.432 63.599 63.200 -0.055 0.000 1.008 424 S HN 0.389 nan 8.310 nan 0.000 0.565 425 R N 1.159 121.637 120.500 -0.036 0.000 2.621 425 R HA 0.437 4.783 4.340 0.010 0.000 0.284 425 R C -1.509 174.675 176.300 -0.194 0.000 0.998 425 R CA -0.472 55.630 56.100 0.002 0.000 0.895 425 R CB 1.426 31.854 30.300 0.213 0.000 1.195 425 R HN 0.519 nan 8.270 nan 0.000 0.450 426 S N 4.083 119.703 115.700 -0.134 0.000 2.664 426 S HA 0.659 5.135 4.470 0.010 0.000 0.262 426 S C -1.141 173.389 174.600 -0.116 0.000 1.229 426 S CA -0.666 57.392 58.200 -0.237 0.000 1.151 426 S CB -0.138 62.991 63.200 -0.118 0.000 1.054 426 S HN 0.425 nan 8.310 nan 0.000 0.483 427 F N 1.493 121.423 119.950 -0.034 0.000 2.664 427 F HA 0.767 5.300 4.527 0.009 0.000 0.317 427 F C -0.355 175.411 175.800 -0.056 0.000 1.108 427 F CA -1.341 56.631 58.000 -0.045 0.000 0.957 427 F CB 1.017 39.990 39.000 -0.046 0.000 1.365 427 F HN 0.087 nan 8.300 nan 0.000 0.475 428 R N 0.562 121.205 120.500 0.239 0.000 2.832 428 R HA 0.698 5.044 4.340 0.010 0.000 0.271 428 R C -1.117 175.265 176.300 0.135 0.000 0.996 428 R CA -0.624 55.554 56.100 0.130 0.000 0.977 428 R CB 2.337 32.645 30.300 0.013 0.000 1.168 428 R HN 1.005 nan 8.270 nan 0.000 0.482 429 T N -1.648 112.971 114.554 0.108 0.000 2.907 429 T HA 0.866 5.222 4.350 0.010 0.000 0.292 429 T C -0.788 173.959 174.700 0.078 0.000 1.043 429 T CA -0.936 61.211 62.100 0.078 0.000 1.003 429 T CB 2.252 71.166 68.868 0.077 0.000 1.084 429 T HN 0.594 nan 8.240 nan 0.000 0.483 430 A N 1.586 124.465 122.820 0.098 0.000 2.540 430 A HA 0.795 5.120 4.320 0.010 0.000 0.297 430 A C -0.325 177.351 177.584 0.153 0.000 1.056 430 A CA -0.840 51.272 52.037 0.125 0.000 0.700 430 A CB 1.310 20.399 19.000 0.149 0.000 1.280 430 A HN 1.505 nan 8.150 nan 0.000 0.398 431 S N 0.388 116.157 115.700 0.115 0.000 2.566 431 S HA 0.910 5.386 4.470 0.010 0.000 0.298 431 S C -0.865 173.811 174.600 0.127 0.000 1.083 431 S CA -0.751 57.507 58.200 0.096 0.000 0.978 431 S CB 1.830 65.043 63.200 0.022 0.000 1.073 431 S HN 1.434 nan 8.310 nan 0.000 0.491 432 V N 1.793 121.802 119.914 0.158 0.000 2.851 432 V HA 0.722 4.847 4.120 0.010 0.000 0.307 432 V C -0.829 175.358 176.094 0.155 0.000 1.129 432 V CA -0.561 61.834 62.300 0.158 0.000 0.932 432 V CB 2.406 34.350 31.823 0.202 0.000 1.024 432 V HN 1.203 nan 8.190 nan 0.000 0.426 433 S N 4.758 120.512 115.700 0.091 0.000 2.552 433 S HA 0.745 5.220 4.470 0.010 0.000 0.314 433 S C -0.609 174.035 174.600 0.073 0.000 1.099 433 S CA -0.679 57.560 58.200 0.065 0.000 1.070 433 S CB 1.391 64.579 63.200 -0.020 0.000 0.998 433 S HN 0.956 nan 8.310 nan 0.000 0.474 434 I N 1.001 121.634 120.570 0.105 0.000 2.371 434 I HA 0.507 4.683 4.170 0.010 0.000 0.290 434 I C -0.113 176.051 176.117 0.077 0.000 1.028 434 I CA -0.651 60.703 61.300 0.089 0.000 1.345 434 I CB 0.711 38.775 38.000 0.105 0.000 1.407 434 I HN 0.530 nan 8.210 nan 0.000 0.501 435 N N 3.218 121.956 118.700 0.062 0.000 2.336 435 N HA 0.001 4.746 4.740 0.010 0.000 0.189 435 N C 0.172 175.729 175.510 0.078 0.000 1.113 435 N CA 0.131 53.221 53.050 0.067 0.000 0.858 435 N CB -0.115 38.400 38.487 0.046 0.000 0.970 435 N HN 0.666 nan 8.380 nan 0.000 0.471 436 Q N 1.278 121.120 119.800 0.071 0.000 2.409 436 Q HA 0.170 4.515 4.340 0.010 0.000 0.240 436 Q C -0.796 175.251 176.000 0.079 0.000 1.226 436 Q CA 0.218 56.060 55.803 0.064 0.000 0.895 436 Q CB -0.231 28.540 28.738 0.054 0.000 1.491 436 Q HN 0.099 nan 8.270 nan 0.000 0.509 437 T N 2.653 117.255 114.554 0.080 0.000 3.483 437 T HA 0.461 4.817 4.350 0.010 0.000 0.329 437 T C -1.802 172.943 174.700 0.075 0.000 1.014 437 T CA -0.675 61.478 62.100 0.088 0.000 1.056 437 T CB 0.683 69.620 68.868 0.116 0.000 1.090 437 T HN 0.628 nan 8.240 nan 0.000 0.460 438 E N 4.574 124.828 120.200 0.089 0.000 2.381 438 E HA 0.400 4.755 4.350 0.010 0.000 0.286 438 E C -2.911 173.749 176.600 0.100 0.000 0.960 438 E CA -2.224 54.230 56.400 0.090 0.000 0.793 438 E CB 1.929 31.686 29.700 0.094 0.000 1.225 438 E HN 0.316 nan 8.360 nan 0.000 0.420 439 P HA -0.041 nan 4.420 nan 0.000 0.235 439 P C -2.482 174.885 177.300 0.112 0.000 1.068 439 P CA -0.181 62.969 63.100 0.084 0.000 0.934 439 P CB -0.528 31.217 31.700 0.074 0.000 0.863 440 P HA 0.063 nan 4.420 nan 0.000 0.269 440 P C -0.191 177.210 177.300 0.168 0.000 1.209 440 P CA 0.212 63.411 63.100 0.164 0.000 0.776 440 P CB 0.649 32.418 31.700 0.114 0.000 0.876 441 K N 1.819 122.332 120.400 0.189 0.000 2.263 441 K HA 0.324 4.649 4.320 0.010 0.000 0.282 441 K C -0.583 176.105 176.600 0.146 0.000 1.089 441 K CA -0.592 55.796 56.287 0.169 0.000 0.907 441 K CB 0.533 33.117 32.500 0.140 0.000 1.148 441 K HN 0.210 nan 8.250 nan 0.000 0.470 442 V N 4.331 124.267 119.914 0.037 0.000 2.644 442 V HA 0.483 4.609 4.120 0.010 0.000 0.295 442 V C 0.128 176.103 176.094 -0.199 0.000 1.053 442 V CA -0.550 61.697 62.300 -0.088 0.000 0.987 442 V CB 1.174 32.872 31.823 -0.209 0.000 1.006 442 V HN 0.854 nan 8.190 nan 0.000 0.472 443 R N 3.289 123.756 120.500 -0.055 0.000 2.687 443 R HA 0.592 4.938 4.340 0.010 0.000 0.265 443 R C -2.038 174.081 176.300 -0.302 0.000 1.048 443 R CA -0.918 55.140 56.100 -0.070 0.000 0.884 443 R CB 1.254 31.542 30.300 -0.020 0.000 1.258 443 R HN 0.473 nan 8.270 nan 0.000 0.469 444 L N -0.857 120.002 121.223 -0.605 0.000 2.416 444 L HA 0.610 4.956 4.340 0.010 0.000 0.262 444 L C 0.064 176.748 176.870 -0.310 0.000 1.093 444 L CA -0.130 54.341 54.840 -0.615 0.000 0.801 444 L CB 0.515 42.017 42.059 -0.927 0.000 1.191 444 L HN 0.947 nan 8.230 nan 0.000 0.459 445 E N -0.450 119.601 120.200 -0.248 0.000 2.862 445 E HA 0.499 4.855 4.350 0.010 0.000 0.204 445 E C -0.258 176.258 176.600 -0.141 0.000 0.966 445 E CA -0.060 56.241 56.400 -0.166 0.000 1.257 445 E CB 1.264 30.875 29.700 -0.148 0.000 1.053 445 E HN 0.987 nan 8.360 nan 0.000 0.487 446 G N 0.929 109.634 108.800 -0.158 0.000 2.658 446 G HA2 0.441 4.406 3.960 0.010 0.000 0.301 446 G HA3 0.441 4.406 3.960 0.010 0.000 0.301 446 G C -1.357 173.471 174.900 -0.119 0.000 1.481 446 G CA -0.811 44.218 45.100 -0.119 0.000 0.931 446 G HN -0.084 nan 8.290 nan 0.000 0.573 447 R N 0.159 120.611 120.500 -0.080 0.000 2.795 447 R HA 0.870 5.216 4.340 0.010 0.000 0.275 447 R C -0.813 175.464 176.300 -0.038 0.000 0.981 447 R CA -0.888 55.177 56.100 -0.057 0.000 0.917 447 R CB 2.487 32.768 30.300 -0.031 0.000 1.202 447 R HN 0.614 nan 8.270 nan 0.000 0.469 448 S N -1.142 114.542 115.700 -0.027 0.000 2.656 448 S HA 0.182 4.658 4.470 0.010 0.000 0.273 448 S C 0.826 175.428 174.600 0.004 0.000 1.168 448 S CA -0.266 57.924 58.200 -0.016 0.000 0.817 448 S CB 1.447 64.631 63.200 -0.027 0.000 1.146 448 S HN 0.712 nan 8.310 nan 0.000 0.475 449 T N -0.791 113.768 114.554 0.009 0.000 2.929 449 T HA -0.023 4.333 4.350 0.010 0.000 0.271 449 T C 1.354 176.074 174.700 0.033 0.000 1.085 449 T CA 1.981 64.095 62.100 0.025 0.000 1.125 449 T CB -0.738 68.141 68.868 0.019 0.000 0.874 449 T HN 0.829 nan 8.240 nan 0.000 0.494 450 T N -1.802 112.759 114.554 0.012 0.000 3.009 450 T HA 0.331 4.687 4.350 0.010 0.000 0.267 450 T C 0.571 175.247 174.700 -0.040 0.000 0.942 450 T CA 0.098 62.202 62.100 0.007 0.000 0.883 450 T CB 0.210 69.082 68.868 0.007 0.000 1.192 450 T HN 0.537 nan 8.240 nan 0.000 0.524 451 S N 1.094 116.761 115.700 -0.055 0.000 2.568 451 S HA 0.835 5.310 4.470 0.010 0.000 0.293 451 S C -1.430 173.101 174.600 -0.115 0.000 1.089 451 S CA -0.850 57.291 58.200 -0.100 0.000 0.945 451 S CB 1.936 65.088 63.200 -0.080 0.000 1.077 451 S HN 0.140 nan 8.310 nan 0.000 0.485 452 L N 1.957 123.079 121.223 -0.169 0.000 2.376 452 L HA 0.514 4.859 4.340 0.010 0.000 0.275 452 L C -0.280 176.486 176.870 -0.173 0.000 0.987 452 L CA -0.252 54.488 54.840 -0.166 0.000 0.828 452 L CB 2.075 44.025 42.059 -0.182 0.000 1.249 452 L HN 0.812 nan 8.230 nan 0.000 0.409 453 S N 2.541 118.140 115.700 -0.169 0.000 2.399 453 S HA 0.599 5.075 4.470 0.010 0.000 0.301 453 S C -0.084 174.393 174.600 -0.205 0.000 1.093 453 S CA -0.533 57.569 58.200 -0.163 0.000 1.077 453 S CB 0.600 63.714 63.200 -0.143 0.000 0.980 453 S HN 0.274 nan 8.310 nan 0.000 0.494 454 V N 2.693 122.513 119.914 -0.156 0.000 2.581 454 V HA 0.792 4.918 4.120 0.010 0.000 0.303 454 V C 0.151 176.187 176.094 -0.097 0.000 1.041 454 V CA -0.560 61.666 62.300 -0.124 0.000 0.907 454 V CB 1.969 33.806 31.823 0.023 0.000 0.994 454 V HN 0.735 nan 8.190 nan 0.000 0.442 455 S N 2.912 118.554 115.700 -0.097 0.000 2.541 455 S HA 0.794 5.270 4.470 0.010 0.000 0.271 455 S C -1.691 172.896 174.600 -0.022 0.000 1.133 455 S CA -0.669 57.379 58.200 -0.253 0.000 0.876 455 S CB 1.331 64.354 63.200 -0.295 0.000 1.105 455 S HN 0.799 nan 8.310 nan 0.000 0.470 456 W N 1.657 122.903 121.300 -0.090 0.000 2.929 456 W HA 0.876 5.542 4.660 0.010 0.000 0.345 456 W C -0.409 176.113 176.519 0.004 0.000 1.151 456 W CA -0.954 56.349 57.345 -0.069 0.000 1.111 456 W CB 0.907 30.298 29.460 -0.115 0.000 1.449 456 W HN 0.614 nan 8.180 nan 0.000 0.572 457 S N 1.661 117.518 115.700 0.260 0.000 2.595 457 S HA 0.814 5.290 4.470 0.010 0.000 0.281 457 S C -1.695 173.060 174.600 0.259 0.000 1.117 457 S CA -0.726 57.592 58.200 0.196 0.000 0.873 457 S CB 1.280 64.525 63.200 0.074 0.000 1.108 457 S HN 0.877 nan 8.310 nan 0.000 0.477 458 I N 2.846 123.559 120.570 0.239 0.000 2.728 458 I HA 0.344 4.520 4.170 0.010 0.000 0.286 458 I C -3.029 173.189 176.117 0.168 0.000 1.623 458 I CA -1.537 59.901 61.300 0.231 0.000 1.048 458 I CB 2.047 40.247 38.000 0.333 0.000 1.474 458 I HN 0.459 nan 8.210 nan 0.000 0.439 459 P HA 0.187 nan 4.420 nan 0.000 0.262 459 P C -2.148 175.179 177.300 0.044 0.000 1.182 459 P CA -0.607 62.526 63.100 0.054 0.000 0.761 459 P CB 0.127 31.854 31.700 0.045 0.000 0.795 460 P HA -0.178 nan 4.420 nan 0.000 0.216 460 P C -0.972 176.319 177.300 -0.015 0.000 1.154 460 P CA 2.358 65.463 63.100 0.008 0.000 0.865 460 P CB -1.697 29.995 31.700 -0.013 0.000 0.789 461 P HA -0.161 nan 4.420 nan 0.000 0.220 461 P C 1.089 178.226 177.300 -0.272 0.000 1.144 461 P CA 1.594 64.659 63.100 -0.058 0.000 0.800 461 P CB -0.315 31.384 31.700 -0.002 0.000 0.772 462 Q N -1.172 118.484 119.800 -0.241 0.000 2.317 462 Q HA 0.107 4.452 4.340 0.010 0.000 0.220 462 Q C 1.968 177.845 176.000 -0.205 0.000 0.873 462 Q CA 0.031 55.594 55.803 -0.399 0.000 0.936 462 Q CB 0.082 28.747 28.738 -0.121 0.000 1.105 462 Q HN 0.358 nan 8.270 nan 0.000 0.520 463 Q N -0.097 119.685 119.800 -0.029 0.000 2.541 463 Q HA -0.066 4.279 4.340 0.010 0.000 0.215 463 Q C 1.773 177.827 176.000 0.091 0.000 0.977 463 Q CA 0.697 56.586 55.803 0.143 0.000 0.934 463 Q CB 0.118 29.014 28.738 0.265 0.000 0.988 463 Q HN 0.155 nan 8.270 nan 0.000 0.521 464 S N 0.535 116.225 115.700 -0.016 0.000 2.336 464 S HA -0.179 4.297 4.470 0.010 0.000 0.216 464 S C 2.343 177.025 174.600 0.136 0.000 1.032 464 S CA 1.355 59.607 58.200 0.087 0.000 0.973 464 S CB -0.056 63.247 63.200 0.172 0.000 0.888 464 S HN 0.504 nan 8.310 nan 0.000 0.455 465 R N 1.338 121.944 120.500 0.178 0.000 2.080 465 R HA 0.031 4.377 4.340 0.010 0.000 0.236 465 R C 1.646 178.009 176.300 0.105 0.000 1.137 465 R CA 1.659 57.876 56.100 0.195 0.000 0.943 465 R CB -2.391 28.087 30.300 0.298 0.000 0.846 465 R HN 0.984 nan 8.270 nan 0.000 0.431 466 V N -1.469 118.464 119.914 0.030 0.000 2.707 466 V HA -0.095 4.030 4.120 0.010 0.000 0.291 466 V C 1.118 177.196 176.094 -0.028 0.000 1.002 466 V CA 0.184 62.425 62.300 -0.098 0.000 1.200 466 V CB -0.777 30.852 31.823 -0.323 0.000 0.854 466 V HN 0.620 nan 8.190 nan 0.000 0.462 467 W N 6.393 127.592 121.300 -0.168 0.000 2.380 467 W HA 0.198 4.864 4.660 0.010 0.000 0.317 467 W C 0.936 177.360 176.519 -0.158 0.000 1.196 467 W CA 0.941 58.215 57.345 -0.119 0.000 1.307 467 W CB 0.134 29.545 29.460 -0.082 0.000 1.157 467 W HN 0.595 nan 8.180 nan 0.000 0.483 468 K N -1.247 118.853 120.400 -0.501 0.000 2.532 468 K HA 0.216 4.541 4.320 0.010 0.000 0.265 468 K C -2.058 174.208 176.600 -0.556 0.000 0.948 468 K CA -0.953 54.955 56.287 -0.633 0.000 0.842 468 K CB 2.139 34.065 32.500 -0.957 0.000 1.392 468 K HN -0.341 nan 8.250 nan 0.000 0.436 469 Y N 1.395 121.539 120.300 -0.260 0.000 2.385 469 Y HA 0.154 4.709 4.550 0.010 0.000 0.341 469 Y C 0.241 175.959 175.900 -0.304 0.000 0.965 469 Y CA -0.405 57.520 58.100 -0.291 0.000 1.180 469 Y CB 1.116 39.422 38.460 -0.257 0.000 1.139 469 Y HN 0.456 nan 8.280 nan 0.000 0.502 470 E N 3.314 123.408 120.200 -0.177 0.000 2.229 470 E HA 0.424 4.780 4.350 0.010 0.000 0.283 470 E C -1.373 175.124 176.600 -0.171 0.000 1.030 470 E CA -0.422 55.885 56.400 -0.156 0.000 0.836 470 E CB 0.844 30.460 29.700 -0.139 0.000 1.068 470 E HN 0.403 nan 8.360 nan 0.000 0.401 471 V N 4.551 124.399 119.914 -0.109 0.000 2.398 471 V HA 0.332 4.458 4.120 0.010 0.000 0.286 471 V C -0.234 175.894 176.094 0.058 0.000 1.026 471 V CA -0.493 61.767 62.300 -0.065 0.000 0.868 471 V CB 1.837 33.656 31.823 -0.006 0.000 0.982 471 V HN 0.749 nan 8.190 nan 0.000 0.443 472 T N 5.280 119.889 114.554 0.091 0.000 2.861 472 T HA 0.771 5.127 4.350 0.010 0.000 0.287 472 T C -1.081 173.767 174.700 0.247 0.000 1.003 472 T CA -0.469 61.706 62.100 0.125 0.000 0.977 472 T CB 1.406 70.326 68.868 0.087 0.000 0.996 472 T HN 0.715 nan 8.240 nan 0.000 0.448 473 Y N 0.353 120.710 120.300 0.095 0.000 2.609 473 Y HA 0.832 5.388 4.550 0.009 0.000 0.336 473 Y C -0.951 175.018 175.900 0.114 0.000 1.129 473 Y CA -1.557 56.608 58.100 0.108 0.000 1.040 473 Y CB 1.580 40.092 38.460 0.086 0.000 1.310 473 Y HN 0.875 nan 8.280 nan 0.000 0.460 474 R N 0.769 121.437 120.500 0.280 0.000 2.709 474 R HA 0.481 4.826 4.340 0.010 0.000 0.270 474 R C -1.788 174.627 176.300 0.191 0.000 1.038 474 R CA -1.264 54.916 56.100 0.133 0.000 0.872 474 R CB 1.509 31.710 30.300 -0.164 0.000 1.259 474 R HN 0.718 nan 8.270 nan 0.000 0.473 475 K N 1.512 121.926 120.400 0.023 0.000 2.286 475 K HA 0.128 4.454 4.320 0.010 0.000 0.256 475 K C -0.195 176.300 176.600 -0.176 0.000 0.999 475 K CA -0.352 55.774 56.287 -0.267 0.000 0.908 475 K CB 0.408 32.752 32.500 -0.259 0.000 0.981 475 K HN 0.319 nan 8.250 nan 0.000 0.500 476 K N 0.842 121.121 120.400 -0.201 0.000 2.401 476 K HA 0.000 4.326 4.320 0.010 0.000 0.278 476 K C 1.051 177.586 176.600 -0.108 0.000 1.018 476 K CA 1.025 57.236 56.287 -0.125 0.000 0.981 476 K CB 0.945 33.377 32.500 -0.113 0.000 0.933 476 K HN 0.946 nan 8.250 nan 0.000 0.477 477 G N 3.359 112.108 108.800 -0.085 0.000 2.579 477 G HA2 -0.259 3.707 3.960 0.010 0.000 0.222 477 G HA3 -0.259 3.707 3.960 0.010 0.000 0.222 477 G C -0.233 174.616 174.900 -0.084 0.000 1.201 477 G CA 0.010 45.066 45.100 -0.073 0.000 0.710 477 G HN 0.633 nan 8.290 nan 0.000 0.516 478 D N 1.285 121.621 120.400 -0.107 0.000 2.531 478 D HA 0.437 5.083 4.640 0.010 0.000 0.239 478 D C 1.312 177.504 176.300 -0.181 0.000 1.144 478 D CA 1.165 55.087 54.000 -0.129 0.000 0.869 478 D CB 1.146 41.861 40.800 -0.141 0.000 1.160 478 D HN 0.695 nan 8.370 nan 0.000 0.484 479 S N 0.619 116.229 115.700 -0.151 0.000 2.900 479 S HA 0.099 4.575 4.470 0.010 0.000 0.253 479 S C 0.356 174.906 174.600 -0.084 0.000 1.029 479 S CA -0.594 57.513 58.200 -0.155 0.000 1.096 479 S CB -0.087 63.092 63.200 -0.034 0.000 1.067 479 S HN 0.262 nan 8.310 nan 0.000 0.610 480 N N 2.105 120.746 118.700 -0.097 0.000 2.204 480 N HA 0.234 4.980 4.740 0.010 0.000 0.219 480 N C -0.711 174.789 175.510 -0.017 0.000 1.151 480 N CA 0.017 53.062 53.050 -0.008 0.000 0.867 480 N CB 1.215 39.700 38.487 -0.005 0.000 1.043 480 N HN 0.441 nan 8.380 nan 0.000 0.516 481 S N -0.493 115.112 115.700 -0.159 0.000 2.668 481 S HA 0.501 4.977 4.470 0.010 0.000 0.277 481 S C -1.455 172.955 174.600 -0.317 0.000 1.170 481 S CA -0.817 57.309 58.200 -0.124 0.000 0.994 481 S CB 0.732 63.873 63.200 -0.098 0.000 1.051 481 S HN 0.087 nan 8.310 nan 0.000 0.484 482 Y N 1.377 121.631 120.300 -0.077 0.000 2.409 482 Y HA 0.527 5.083 4.550 0.010 0.000 0.343 482 Y C 0.010 175.794 175.900 -0.194 0.000 0.973 482 Y CA -0.915 57.114 58.100 -0.118 0.000 1.064 482 Y CB 1.917 40.327 38.460 -0.083 0.000 1.207 482 Y HN 0.622 nan 8.280 nan 0.000 0.452 483 N N 2.650 121.207 118.700 -0.238 0.000 2.444 483 N HA 0.509 5.254 4.740 0.010 0.000 0.262 483 N C -1.494 173.835 175.510 -0.302 0.000 0.974 483 N CA -0.312 52.463 53.050 -0.459 0.000 0.933 483 N CB 2.217 39.941 38.487 -1.271 0.000 1.137 483 N HN 0.283 nan 8.380 nan 0.000 0.498 484 V N 2.796 122.643 119.914 -0.113 0.000 2.577 484 V HA 0.543 4.669 4.120 0.010 0.000 0.303 484 V C -0.208 175.890 176.094 0.006 0.000 1.042 484 V CA -0.891 61.392 62.300 -0.028 0.000 0.872 484 V CB 2.087 33.892 31.823 -0.029 0.000 0.998 484 V HN 0.705 nan 8.190 nan 0.000 0.423 485 R N 3.522 124.046 120.500 0.040 0.000 2.725 485 R HA 0.873 5.219 4.340 0.010 0.000 0.277 485 R C -1.080 175.224 176.300 0.007 0.000 0.987 485 R CA -1.032 55.089 56.100 0.036 0.000 0.901 485 R CB 2.431 32.780 30.300 0.082 0.000 1.207 485 R HN 0.565 nan 8.270 nan 0.000 0.463 486 R N 0.543 121.030 120.500 -0.023 0.000 2.787 486 R HA 0.670 5.016 4.340 0.010 0.000 0.271 486 R C -0.925 175.361 176.300 -0.022 0.000 0.993 486 R CA -0.782 55.280 56.100 -0.063 0.000 0.993 486 R CB 2.500 32.706 30.300 -0.158 0.000 1.155 486 R HN 0.777 nan 8.270 nan 0.000 0.486 487 T N -0.665 113.887 114.554 -0.005 0.000 2.770 487 T HA 0.118 4.473 4.350 0.010 0.000 0.323 487 T C -0.781 173.976 174.700 0.094 0.000 1.683 487 T CA -0.601 61.530 62.100 0.052 0.000 1.024 487 T CB 1.441 70.381 68.868 0.121 0.000 1.557 487 T HN 0.701 nan 8.240 nan 0.000 0.494 488 E N 0.483 120.734 120.200 0.086 0.000 2.481 488 E HA 0.258 4.613 4.350 0.010 0.000 0.198 488 E C 1.047 177.717 176.600 0.118 0.000 1.027 488 E CA -0.272 56.199 56.400 0.118 0.000 0.900 488 E CB 0.503 30.249 29.700 0.078 0.000 0.993 488 E HN 0.643 nan 8.360 nan 0.000 0.482 489 G N 0.026 108.878 108.800 0.087 0.000 2.616 489 G HA2 0.202 4.168 3.960 0.010 0.000 0.268 489 G HA3 0.202 4.168 3.960 0.010 0.000 0.268 489 G C -0.225 174.480 174.900 -0.325 0.000 1.213 489 G CA -0.517 44.586 45.100 0.005 0.000 0.926 489 G HN 0.108 nan 8.290 nan 0.000 0.523 490 F N -0.175 119.453 119.950 -0.536 0.000 2.684 490 F HA 0.442 4.974 4.527 0.009 0.000 0.298 490 F C 1.028 175.876 175.800 -1.588 0.000 1.120 490 F CA -0.129 57.139 58.000 -1.219 0.000 1.332 490 F CB 0.775 39.334 39.000 -0.734 0.000 0.986 490 F HN 0.395 nan 8.300 nan 0.000 0.524 491 S N 0.135 115.211 115.700 -1.040 0.000 2.537 491 S HA 0.753 5.229 4.470 0.010 0.000 0.271 491 S C -1.736 172.640 174.600 -0.372 0.000 1.148 491 S CA -0.601 57.161 58.200 -0.729 0.000 0.868 491 S CB 1.638 64.604 63.200 -0.390 0.000 1.115 491 S HN -0.089 nan 8.310 nan 0.000 0.461 492 V N 2.710 122.511 119.914 -0.189 0.000 3.077 492 V HA 0.726 4.852 4.120 0.010 0.000 0.299 492 V C -1.280 174.786 176.094 -0.046 0.000 1.276 492 V CA -0.261 62.025 62.300 -0.024 0.000 0.993 492 V CB 2.410 34.326 31.823 0.155 0.000 1.076 492 V HN 1.016 nan 8.190 nan 0.000 0.434 493 T N 6.692 121.214 114.554 -0.053 0.000 2.779 493 T HA 0.605 4.960 4.350 0.010 0.000 0.280 493 T C -0.535 174.106 174.700 -0.099 0.000 0.987 493 T CA -0.329 61.720 62.100 -0.085 0.000 0.966 493 T CB 1.131 69.952 68.868 -0.078 0.000 0.933 493 T HN 0.535 nan 8.240 nan 0.000 0.442 494 L N 3.918 125.037 121.223 -0.172 0.000 2.260 494 L HA 0.430 4.776 4.340 0.010 0.000 0.289 494 L C 0.114 176.875 176.870 -0.182 0.000 1.057 494 L CA -0.807 53.882 54.840 -0.253 0.000 0.811 494 L CB 0.548 42.275 42.059 -0.553 0.000 1.184 494 L HN 0.569 nan 8.230 nan 0.000 0.429 495 D N 2.547 122.889 120.400 -0.097 0.000 2.332 495 D HA 0.166 4.812 4.640 0.010 0.000 0.252 495 D C -0.482 175.801 176.300 -0.030 0.000 1.050 495 D CA -0.311 53.657 54.000 -0.053 0.000 0.970 495 D CB 1.218 42.007 40.800 -0.019 0.000 1.141 495 D HN 0.432 nan 8.370 nan 0.000 0.485 496 D N 0.584 120.976 120.400 -0.013 0.000 3.278 496 D HA -0.164 4.482 4.640 0.010 0.000 0.233 496 D C -0.571 175.747 176.300 0.031 0.000 1.149 496 D CA 0.749 54.759 54.000 0.016 0.000 0.957 496 D CB -1.007 39.812 40.800 0.032 0.000 0.913 496 D HN 0.269 nan 8.370 nan 0.000 0.409 497 L N -0.801 120.436 121.223 0.024 0.000 2.327 497 L HA 0.801 5.147 4.340 0.010 0.000 0.258 497 L C 0.535 177.485 176.870 0.133 0.000 1.024 497 L CA -1.419 53.467 54.840 0.076 0.000 0.825 497 L CB 1.683 43.693 42.059 -0.082 0.000 1.386 497 L HN 0.232 nan 8.230 nan 0.000 0.417 498 A N 1.403 124.362 122.820 0.232 0.000 2.354 498 A HA 0.675 5.001 4.320 0.010 0.000 0.269 498 A C -2.478 175.202 177.584 0.160 0.000 1.109 498 A CA -1.210 50.923 52.037 0.161 0.000 0.800 498 A CB -0.155 18.922 19.000 0.129 0.000 1.045 498 A HN 0.353 nan 8.150 nan 0.000 0.489 499 P HA 0.213 nan 4.420 nan 0.000 0.272 499 P C -0.761 176.580 177.300 0.069 0.000 1.240 499 P CA 0.087 63.234 63.100 0.079 0.000 0.791 499 P CB 0.222 31.951 31.700 0.049 0.000 0.978 500 D N -1.013 119.424 120.400 0.062 0.000 2.740 500 D HA -0.132 4.514 4.640 0.010 0.000 0.231 500 D C -0.573 175.740 176.300 0.022 0.000 1.194 500 D CA 1.420 55.445 54.000 0.042 0.000 0.673 500 D CB -1.833 38.981 40.800 0.024 0.000 0.995 500 D HN 0.459 nan 8.370 nan 0.000 0.411 501 T N -2.857 111.718 114.554 0.034 0.000 2.971 501 T HA 0.580 4.936 4.350 0.010 0.000 0.304 501 T C 0.077 174.731 174.700 -0.077 0.000 1.038 501 T CA -1.036 61.017 62.100 -0.077 0.000 1.007 501 T CB 1.803 70.553 68.868 -0.198 0.000 1.055 501 T HN 0.033 nan 8.240 nan 0.000 0.451 502 T N 1.702 116.188 114.554 -0.114 0.000 2.794 502 T HA 0.497 4.853 4.350 0.010 0.000 0.296 502 T C -0.675 173.935 174.700 -0.150 0.000 0.949 502 T CA -0.480 61.593 62.100 -0.044 0.000 1.101 502 T CB -0.167 68.681 68.868 -0.033 0.000 0.905 502 T HN 0.575 nan 8.240 nan 0.000 0.516 503 Y N 1.445 121.777 120.300 0.052 0.000 2.457 503 Y HA 0.543 5.098 4.550 0.009 0.000 0.333 503 Y C 0.280 176.199 175.900 0.031 0.000 1.119 503 Y CA -1.437 56.705 58.100 0.070 0.000 1.143 503 Y CB 1.492 40.026 38.460 0.124 0.000 1.230 503 Y HN 0.518 nan 8.280 nan 0.000 0.469 504 L N 3.342 124.690 121.223 0.209 0.000 2.257 504 L HA 0.506 4.851 4.340 0.010 0.000 0.290 504 L C -1.031 175.946 176.870 0.179 0.000 1.044 504 L CA -0.743 54.163 54.840 0.111 0.000 0.810 504 L CB 0.778 42.874 42.059 0.062 0.000 1.193 504 L HN 0.298 nan 8.230 nan 0.000 0.425 505 V N 3.567 123.553 119.914 0.119 0.000 2.417 505 V HA 0.409 4.535 4.120 0.010 0.000 0.291 505 V C -0.207 175.970 176.094 0.138 0.000 1.024 505 V CA -0.563 61.844 62.300 0.178 0.000 0.861 505 V CB 1.689 33.658 31.823 0.243 0.000 0.985 505 V HN 0.661 nan 8.190 nan 0.000 0.436 506 Q N 3.747 123.619 119.800 0.120 0.000 2.294 506 Q HA 0.486 4.832 4.340 0.010 0.000 0.264 506 Q C -1.721 174.274 176.000 -0.009 0.000 0.992 506 Q CA -0.274 55.570 55.803 0.068 0.000 0.747 506 Q CB 2.238 31.017 28.738 0.067 0.000 1.262 506 Q HN 0.589 nan 8.270 nan 0.000 0.452 507 V N 3.751 123.619 119.914 -0.076 0.000 2.427 507 V HA 0.440 4.565 4.120 0.010 0.000 0.286 507 V C -0.241 175.744 176.094 -0.182 0.000 1.034 507 V CA -0.512 61.635 62.300 -0.255 0.000 0.893 507 V CB 1.780 33.282 31.823 -0.536 0.000 0.982 507 V HN 0.675 nan 8.190 nan 0.000 0.452 508 Q N 3.054 122.745 119.800 -0.183 0.000 2.290 508 Q HA 0.658 5.004 4.340 0.010 0.000 0.269 508 Q C -0.636 175.290 176.000 -0.124 0.000 1.016 508 Q CA -0.694 55.043 55.803 -0.109 0.000 0.754 508 Q CB 1.813 30.503 28.738 -0.079 0.000 1.247 508 Q HN 0.899 nan 8.270 nan 0.000 0.451 509 A N 6.115 128.881 122.820 -0.090 0.000 2.807 509 A HA 0.326 4.651 4.320 0.010 0.000 0.307 509 A C -0.174 177.305 177.584 -0.175 0.000 1.532 509 A CA -0.390 51.520 52.037 -0.213 0.000 1.215 509 A CB -0.328 18.612 19.000 -0.101 0.000 1.127 509 A HN 0.808 nan 8.150 nan 0.000 0.543 510 L N 2.206 123.321 121.223 -0.179 0.000 2.456 510 L HA 0.308 4.654 4.340 0.010 0.000 0.272 510 L C 0.645 177.535 176.870 0.033 0.000 1.189 510 L CA 0.336 55.150 54.840 -0.043 0.000 0.846 510 L CB 0.681 42.736 42.059 -0.007 0.000 1.111 510 L HN 0.740 nan 8.230 nan 0.000 0.475 511 T N -0.948 113.653 114.554 0.078 0.000 3.262 511 T HA 0.178 4.534 4.350 0.010 0.000 0.336 511 T C -0.022 174.720 174.700 0.070 0.000 0.911 511 T CA -0.742 61.413 62.100 0.092 0.000 1.154 511 T CB 1.264 70.172 68.868 0.067 0.000 1.007 511 T HN 0.686 nan 8.240 nan 0.000 0.488 512 Q N 1.371 121.208 119.800 0.061 0.000 2.287 512 Q HA 0.210 4.556 4.340 0.010 0.000 0.201 512 Q C 0.134 176.320 176.000 0.309 0.000 0.946 512 Q CA 0.541 56.420 55.803 0.126 0.000 0.868 512 Q CB 0.470 29.126 28.738 -0.136 0.000 0.967 512 Q HN 0.626 nan 8.270 nan 0.000 0.516 513 E N -1.131 119.153 120.200 0.141 0.000 2.191 513 E HA 0.380 4.736 4.350 0.010 0.000 0.263 513 E C -0.267 176.391 176.600 0.097 0.000 0.881 513 E CA 0.187 56.706 56.400 0.198 0.000 0.757 513 E CB 1.224 31.001 29.700 0.128 0.000 1.147 513 E HN 0.417 nan 8.360 nan 0.000 0.414 514 G N 2.842 111.695 108.800 0.088 0.000 2.180 514 G HA2 -0.340 3.626 3.960 0.010 0.000 0.263 514 G HA3 -0.340 3.626 3.960 0.010 0.000 0.263 514 G C 0.519 175.436 174.900 0.029 0.000 0.989 514 G CA 1.048 46.172 45.100 0.041 0.000 0.692 514 G HN 0.895 nan 8.290 nan 0.000 0.526 515 Q N -0.948 118.876 119.800 0.039 0.000 2.112 515 Q HA 0.688 5.033 4.340 0.010 0.000 0.222 515 Q C 1.173 177.192 176.000 0.031 0.000 0.798 515 Q CA 1.148 56.969 55.803 0.030 0.000 1.060 515 Q CB 0.468 29.222 28.738 0.027 0.000 1.184 515 Q HN 1.800 nan 8.270 nan 0.000 0.475 516 G N -0.309 108.506 108.800 0.025 0.000 2.547 516 G HA2 0.645 4.611 3.960 0.010 0.000 0.291 516 G HA3 0.645 4.611 3.960 0.010 0.000 0.291 516 G C -0.081 174.824 174.900 0.008 0.000 1.211 516 G CA -0.003 45.104 45.100 0.012 0.000 0.950 516 G HN 0.993 nan 8.290 nan 0.000 0.504 517 A N -0.307 122.518 122.820 0.009 0.000 2.260 517 A HA 0.750 5.076 4.320 0.010 0.000 0.314 517 A C 0.683 178.274 177.584 0.011 0.000 1.257 517 A CA 0.091 52.140 52.037 0.019 0.000 0.871 517 A CB 0.699 19.722 19.000 0.039 0.000 1.166 517 A HN 1.216 nan 8.150 nan 0.000 0.522 518 G N 0.647 109.453 108.800 0.009 0.000 2.562 518 G HA2 0.469 4.434 3.960 0.010 0.000 0.275 518 G HA3 0.469 4.434 3.960 0.010 0.000 0.275 518 G C 0.269 175.184 174.900 0.025 0.000 1.196 518 G CA 0.372 45.475 45.100 0.004 0.000 0.908 518 G HN 1.008 nan 8.290 nan 0.000 0.524 519 S N -1.242 114.475 115.700 0.029 0.000 2.739 519 S HA 0.485 4.960 4.470 0.010 0.000 0.306 519 S C 0.112 174.765 174.600 0.089 0.000 1.115 519 S CA -0.767 57.476 58.200 0.072 0.000 0.985 519 S CB 1.268 64.513 63.200 0.074 0.000 1.133 519 S HN 0.623 nan 8.310 nan 0.000 0.541 520 K N 1.347 121.829 120.400 0.136 0.000 2.448 520 K HA 0.218 4.544 4.320 0.010 0.000 0.278 520 K C -0.866 175.786 176.600 0.086 0.000 1.009 520 K CA -0.283 56.035 56.287 0.051 0.000 0.995 520 K CB 0.295 32.757 32.500 -0.064 0.000 0.917 520 K HN 0.444 nan 8.250 nan 0.000 0.481 521 V N 6.097 126.000 119.914 -0.018 0.000 2.341 521 V HA 0.017 4.143 4.120 0.010 0.000 0.248 521 V C -0.045 175.985 176.094 -0.108 0.000 1.107 521 V CA -0.165 62.133 62.300 -0.005 0.000 1.069 521 V CB -0.832 30.982 31.823 -0.014 0.000 1.177 521 V HN 0.721 nan 8.190 nan 0.000 0.492 522 H N 2.633 121.610 119.070 -0.156 0.000 2.534 522 H HA 0.486 5.048 4.556 0.009 0.000 0.364 522 H C 0.113 175.134 175.328 -0.512 0.000 1.328 522 H CA -0.369 55.457 56.048 -0.371 0.000 1.415 522 H CB 0.679 30.119 29.762 -0.536 0.000 1.573 522 H HN 0.608 nan 8.280 nan 0.000 0.601 523 E N 1.105 120.957 120.200 -0.580 0.000 2.373 523 E HA 0.255 4.611 4.350 0.010 0.000 0.251 523 E C -1.191 175.171 176.600 -0.396 0.000 0.923 523 E CA -0.312 55.859 56.400 -0.382 0.000 0.798 523 E CB 0.909 30.509 29.700 -0.166 0.000 1.303 523 E HN 0.235 nan 8.360 nan 0.000 0.412 524 F N 0.996 121.028 119.950 0.137 0.000 2.541 524 F HA 0.516 5.049 4.527 0.010 0.000 0.331 524 F C 0.204 176.089 175.800 0.141 0.000 1.057 524 F CA -0.943 57.125 58.000 0.113 0.000 0.975 524 F CB 1.582 40.630 39.000 0.080 0.000 1.246 524 F HN 0.242 nan 8.300 nan 0.000 0.484 525 Q N 0.544 120.533 119.800 0.315 0.000 2.305 525 Q HA 0.411 4.757 4.340 0.010 0.000 0.271 525 Q C -0.672 175.435 176.000 0.178 0.000 1.046 525 Q CA -0.727 55.211 55.803 0.223 0.000 0.798 525 Q CB 2.011 30.831 28.738 0.138 0.000 1.286 525 Q HN 0.881 nan 8.270 nan 0.000 0.435 526 T N 0.519 115.190 114.554 0.195 0.000 2.616 526 T HA 0.219 4.574 4.350 0.010 0.000 0.327 526 T C 0.286 175.035 174.700 0.082 0.000 1.049 526 T CA -0.535 61.642 62.100 0.128 0.000 1.022 526 T CB 0.380 69.340 68.868 0.153 0.000 1.009 526 T HN 0.405 nan 8.240 nan 0.000 0.535 527 L N 0.195 121.451 121.223 0.055 0.000 2.313 527 L HA 0.596 4.942 4.340 0.010 0.000 0.268 527 L C 0.506 177.396 176.870 0.033 0.000 1.010 527 L CA -0.694 54.169 54.840 0.038 0.000 0.814 527 L CB 1.939 44.011 42.059 0.023 0.000 1.304 527 L HN 0.909 nan 8.230 nan 0.000 0.441 528 S N 0.832 116.547 115.700 0.026 0.000 2.565 528 S HA 0.694 5.169 4.470 0.010 0.000 0.290 528 S C -2.073 172.536 174.600 0.015 0.000 1.150 528 S CA -0.894 57.319 58.200 0.021 0.000 1.058 528 S CB 1.214 64.425 63.200 0.019 0.000 1.032 528 S HN 0.448 nan 8.310 nan 0.000 0.510 529 P HA 0.000 nan 4.420 nan 0.000 0.216 529 P CA 0.000 63.106 63.100 0.010 0.000 0.800 529 P CB 0.000 31.706 31.700 0.010 0.000 0.726