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 1tqy_1_A DATA FIRST_RESID 3 DATA SEQUENCE RRVVITGVGV RAPGGNGTRQ FWELLTSGRT ATRRISFFDP SPYRSQVAAE DATA SEQUENCE ADFDPVAEGF GPRELDRMDR ASQFAVACAR EAFAASGLDP DTLDPARVGV DATA SEQUENCE SLGSAVAAAT SLEREYLLLS DSGRDWEVDA AWLSRHMFDY LVPSVMPAEV DATA SEQUENCE AWAVGAEGPV TMVSTGCTSG LDSVGNAVRA IEEGSADVMF AGAADTPITP DATA SEQUENCE IVVACFDAIR ATTARNDDPE HASRPFDGTR DGFVLAEGAA MFVLEDYDSA DATA SEQUENCE LARGARIHAE ISGYATRCNA YHMTGLKADG REMAETIRVA LDESRTDATD DATA SEQUENCE IDYINAHGSG TRQNDRHETA AYKRALGEHA RRTPVSSIKS MVGHSLGAIG DATA SEQUENCE SLEIAACVLA LEHGVVPPTA NLRTSDPECD LDYVPLEARE RKLRSVLTVG DATA SEQUENCE SGFGGFQSAM VLRDAETAGA A 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 3 R HA 0.000 nan 4.340 nan 0.000 0.208 3 R C 0.000 176.322 176.300 0.036 0.000 0.893 3 R CA 0.000 56.124 56.100 0.041 0.000 0.921 3 R CB 0.000 30.322 30.300 0.036 0.000 0.687 4 R N 1.922 122.458 120.500 0.060 0.000 2.428 4 R HA 0.546 4.886 4.340 0.000 0.000 0.294 4 R C -0.689 175.629 176.300 0.030 0.000 1.000 4 R CA -0.745 55.365 56.100 0.016 0.000 0.960 4 R CB 1.790 32.064 30.300 -0.043 0.000 1.076 4 R HN 0.175 nan 8.270 nan 0.000 0.475 5 V N 3.663 123.561 119.914 -0.028 0.000 2.513 5 V HA 0.504 4.624 4.120 0.000 0.000 0.299 5 V C -0.052 176.011 176.094 -0.052 0.000 1.035 5 V CA -0.713 61.574 62.300 -0.022 0.000 0.889 5 V CB 1.688 33.488 31.823 -0.039 0.000 0.988 5 V HN 0.623 nan 8.190 nan 0.000 0.440 6 V N 2.168 122.075 119.914 -0.011 0.000 3.102 6 V HA 0.677 4.797 4.120 0.000 0.000 0.312 6 V C -0.649 175.445 176.094 -0.001 0.000 1.135 6 V CA -0.974 61.319 62.300 -0.012 0.000 1.022 6 V CB 2.283 34.139 31.823 0.054 0.000 1.056 6 V HN 0.652 nan 8.190 nan 0.000 0.436 7 I N 2.491 123.069 120.570 0.014 0.000 2.315 7 I HA 0.404 4.574 4.170 0.000 0.000 0.291 7 I C 1.199 177.416 176.117 0.167 0.000 1.006 7 I CA 0.050 61.380 61.300 0.050 0.000 1.265 7 I CB 2.029 40.047 38.000 0.030 0.000 1.387 7 I HN 0.999 nan 8.210 nan 0.000 0.475 8 T N 0.751 115.392 114.554 0.146 0.000 3.023 8 T HA 0.341 4.692 4.350 0.000 0.000 0.253 8 T C 0.553 175.423 174.700 0.283 0.000 1.038 8 T CA -0.263 61.974 62.100 0.230 0.000 0.962 8 T CB 0.563 69.486 68.868 0.091 0.000 1.018 8 T HN 0.685 nan 8.240 nan 0.000 0.521 9 G N 0.313 109.173 108.800 0.099 0.000 2.742 9 G HA2 0.564 4.524 3.960 0.000 0.000 0.296 9 G HA3 0.564 4.524 3.960 0.000 0.000 0.296 9 G C -1.889 172.947 174.900 -0.106 0.000 1.436 9 G CA -0.579 44.515 45.100 -0.010 0.000 0.928 9 G HN 0.232 nan 8.290 nan 0.000 0.520 10 V N -0.105 119.700 119.914 -0.183 0.000 2.823 10 V HA 0.954 5.075 4.120 0.000 0.000 0.312 10 V C 0.400 176.384 176.094 -0.183 0.000 1.072 10 V CA -0.278 61.896 62.300 -0.209 0.000 0.937 10 V CB 2.183 33.892 31.823 -0.190 0.000 1.013 10 V HN 1.319 nan 8.190 nan 0.000 0.430 11 G N 1.279 109.907 108.800 -0.287 0.000 2.732 11 G HA2 0.640 4.600 3.960 0.000 0.000 0.295 11 G HA3 0.640 4.600 3.960 0.000 0.000 0.295 11 G C -1.882 172.862 174.900 -0.260 0.000 1.456 11 G CA -0.590 44.398 45.100 -0.186 0.000 1.050 11 G HN 0.818 nan 8.290 nan 0.000 0.525 12 V N 2.385 122.182 119.914 -0.196 0.000 2.841 12 V HA 0.920 5.040 4.120 0.000 0.000 0.310 12 V C -1.381 174.596 176.094 -0.196 0.000 1.090 12 V CA -1.222 60.916 62.300 -0.270 0.000 0.930 12 V CB 2.310 33.865 31.823 -0.446 0.000 1.014 12 V HN 0.657 nan 8.190 nan 0.000 0.425 13 R N 4.220 124.603 120.500 -0.195 0.000 2.607 13 R HA 0.821 5.161 4.340 0.000 0.000 0.278 13 R C -0.515 175.731 176.300 -0.090 0.000 1.637 13 R CA 0.475 56.482 56.100 -0.155 0.000 1.325 13 R CB 1.155 31.291 30.300 -0.274 0.000 1.211 13 R HN 1.087 nan 8.270 nan 0.000 0.565 14 A N 2.985 125.757 122.820 -0.080 0.000 2.350 14 A HA 0.859 5.180 4.320 0.000 0.000 0.318 14 A C -2.544 175.115 177.584 0.124 0.000 1.132 14 A CA -2.112 49.939 52.037 0.023 0.000 0.811 14 A CB 0.858 19.833 19.000 -0.041 0.000 1.313 14 A HN 0.343 nan 8.150 nan 0.000 0.454 15 P HA 0.261 nan 4.420 nan 0.000 0.263 15 P C 0.835 178.218 177.300 0.138 0.000 1.195 15 P CA 2.014 65.198 63.100 0.139 0.000 0.762 15 P CB 0.541 32.305 31.700 0.107 0.000 0.799 16 G N 2.843 111.713 108.800 0.117 0.000 2.168 16 G HA2 -0.148 3.812 3.960 0.000 0.000 0.257 16 G HA3 -0.148 3.812 3.960 0.000 0.000 0.257 16 G C 0.491 175.477 174.900 0.142 0.000 0.997 16 G CA -0.046 45.117 45.100 0.105 0.000 0.708 16 G HN 0.915 nan 8.290 nan 0.000 0.520 17 G N -0.469 108.434 108.800 0.171 0.000 3.703 17 G HA2 0.427 4.387 3.960 0.000 0.000 0.311 17 G HA3 0.427 4.387 3.960 0.000 0.000 0.311 17 G C -0.508 174.472 174.900 0.133 0.000 1.430 17 G CA -0.173 45.064 45.100 0.229 0.000 0.785 17 G HN 0.318 nan 8.290 nan 0.000 0.491 18 N N 1.750 120.507 118.700 0.095 0.000 2.482 18 N HA 0.501 5.241 4.740 0.000 0.000 0.242 18 N C 0.619 176.161 175.510 0.053 0.000 1.100 18 N CA 1.197 54.276 53.050 0.048 0.000 0.946 18 N CB 0.700 39.206 38.487 0.032 0.000 1.227 18 N HN 1.083 nan 8.380 nan 0.000 0.508 19 G N 1.814 110.637 108.800 0.038 0.000 2.650 19 G HA2 -0.245 3.715 3.960 0.000 0.000 0.686 19 G HA3 -0.245 3.715 3.960 0.000 0.000 0.686 19 G C 0.888 175.871 174.900 0.138 0.000 1.205 19 G CA -0.138 44.994 45.100 0.055 0.000 0.781 19 G HN 0.480 nan 8.290 nan 0.000 0.648 20 T N -0.606 114.034 114.554 0.143 0.000 2.759 20 T HA -0.173 4.178 4.350 0.000 0.000 0.269 20 T C 2.316 177.205 174.700 0.315 0.000 1.042 20 T CA 1.956 64.214 62.100 0.264 0.000 1.140 20 T CB -0.168 68.806 68.868 0.177 0.000 0.864 20 T HN 0.646 nan 8.240 nan 0.000 0.455 21 R N 1.282 121.912 120.500 0.216 0.000 2.088 21 R HA -0.082 4.258 4.340 0.000 0.000 0.232 21 R C 2.676 179.101 176.300 0.209 0.000 1.136 21 R CA 1.998 58.218 56.100 0.199 0.000 0.926 21 R CB -1.212 29.166 30.300 0.131 0.000 0.837 21 R HN 0.648 nan 8.270 nan 0.000 0.429 22 Q N -0.327 119.579 119.800 0.177 0.000 2.096 22 Q HA -0.183 4.157 4.340 0.000 0.000 0.204 22 Q C 2.009 178.139 176.000 0.217 0.000 0.982 22 Q CA 1.526 57.421 55.803 0.154 0.000 0.850 22 Q CB -0.211 28.602 28.738 0.126 0.000 0.901 22 Q HN 0.221 nan 8.270 nan 0.000 0.422 23 F N 0.123 120.144 119.950 0.119 0.000 2.069 23 F HA -0.269 4.258 4.527 0.000 0.000 0.298 23 F C 1.933 177.851 175.800 0.197 0.000 1.113 23 F CA 1.776 59.862 58.000 0.144 0.000 1.214 23 F CB -0.822 38.274 39.000 0.161 0.000 0.978 23 F HN 0.314 nan 8.300 nan 0.000 0.474 24 W N 1.571 122.844 121.300 -0.046 0.000 2.363 24 W HA -0.208 4.452 4.660 0.000 0.000 0.296 24 W C 2.341 178.766 176.519 -0.156 0.000 1.212 24 W CA 1.624 58.860 57.345 -0.182 0.000 1.260 24 W CB -0.358 29.054 29.460 -0.080 0.000 1.131 24 W HN 0.286 nan 8.180 nan 0.000 0.530 25 E N 0.766 120.942 120.200 -0.041 0.000 2.085 25 E HA -0.295 4.055 4.350 0.000 0.000 0.194 25 E C 2.254 178.735 176.600 -0.199 0.000 0.994 25 E CA 1.614 57.932 56.400 -0.136 0.000 0.801 25 E CB -0.495 29.192 29.700 -0.023 0.000 0.743 25 E HN 0.273 nan 8.360 nan 0.000 0.453 26 L N 0.804 121.941 121.223 -0.144 0.000 2.027 26 L HA -0.137 4.203 4.340 0.000 0.000 0.206 26 L C 2.251 178.975 176.870 -0.242 0.000 1.074 26 L CA 1.501 56.259 54.840 -0.137 0.000 0.745 26 L CB -0.355 41.681 42.059 -0.038 0.000 0.898 26 L HN 0.206 nan 8.230 nan 0.000 0.433 27 L N -0.708 120.283 121.223 -0.387 0.000 2.046 27 L HA -0.192 4.148 4.340 0.000 0.000 0.208 27 L C 2.527 179.083 176.870 -0.525 0.000 1.077 27 L CA 1.861 56.425 54.840 -0.459 0.000 0.747 27 L CB -1.369 40.330 42.059 -0.600 0.000 0.896 27 L HN 0.508 nan 8.230 nan 0.000 0.432 28 T N -3.666 110.440 114.554 -0.747 0.000 2.951 28 T HA -0.114 4.237 4.350 0.000 0.000 0.268 28 T C 1.939 176.426 174.700 -0.356 0.000 1.073 28 T CA 1.016 62.731 62.100 -0.642 0.000 1.134 28 T CB -0.367 68.018 68.868 -0.805 0.000 0.884 28 T HN 0.418 nan 8.240 nan 0.000 0.479 29 S N 0.807 116.333 115.700 -0.290 0.000 2.489 29 S HA 0.324 4.794 4.470 0.000 0.000 0.228 29 S C 2.187 176.705 174.600 -0.135 0.000 0.995 29 S CA 0.691 58.786 58.200 -0.176 0.000 0.934 29 S CB -0.951 62.168 63.200 -0.136 0.000 0.771 29 S HN 1.176 nan 8.310 nan 0.000 0.522 30 G N 2.164 110.872 108.800 -0.153 0.000 2.212 30 G HA2 -0.382 3.578 3.960 0.000 0.000 0.266 30 G HA3 -0.382 3.578 3.960 0.000 0.000 0.266 30 G C 0.244 175.108 174.900 -0.060 0.000 0.978 30 G CA 0.401 45.442 45.100 -0.099 0.000 0.632 30 G HN 1.014 nan 8.290 nan 0.000 0.537 31 R N 0.397 120.859 120.500 -0.063 0.000 2.707 31 R HA 0.586 4.926 4.340 0.000 0.000 0.270 31 R C 0.508 176.784 176.300 -0.040 0.000 1.083 31 R CA 0.332 56.408 56.100 -0.041 0.000 1.182 31 R CB 0.207 30.483 30.300 -0.040 0.000 1.084 31 R HN 0.484 nan 8.270 nan 0.000 0.528 32 T N -3.268 111.260 114.554 -0.043 0.000 2.950 32 T HA 0.616 4.966 4.350 0.000 0.000 0.288 32 T C 0.334 175.012 174.700 -0.038 0.000 1.035 32 T CA -0.596 61.479 62.100 -0.041 0.000 1.028 32 T CB 1.978 70.808 68.868 -0.063 0.000 1.109 32 T HN 0.692 nan 8.240 nan 0.000 0.514 33 A N 1.006 123.815 122.820 -0.019 0.000 2.538 33 A HA 0.428 4.748 4.320 0.000 0.000 0.269 33 A C 0.982 178.549 177.584 -0.029 0.000 1.231 33 A CA -0.196 51.836 52.037 -0.009 0.000 0.948 33 A CB -0.530 18.488 19.000 0.031 0.000 1.110 33 A HN 1.051 nan 8.150 nan 0.000 0.529 34 T N -0.385 114.140 114.554 -0.049 0.000 2.749 34 T HA 0.674 5.024 4.350 0.000 0.000 0.295 34 T C -0.009 174.639 174.700 -0.087 0.000 0.936 34 T CA -0.511 61.551 62.100 -0.063 0.000 1.060 34 T CB 1.281 70.115 68.868 -0.056 0.000 0.904 34 T HN 0.272 nan 8.240 nan 0.000 0.500 35 R N 1.596 122.040 120.500 -0.094 0.000 2.885 35 R HA 0.488 4.828 4.340 0.000 0.000 0.260 35 R C -0.262 175.970 176.300 -0.114 0.000 1.107 35 R CA -1.159 54.882 56.100 -0.098 0.000 0.978 35 R CB 1.323 31.571 30.300 -0.086 0.000 1.227 35 R HN 0.722 nan 8.270 nan 0.000 0.473 36 R N 1.283 121.720 120.500 -0.104 0.000 2.489 36 R HA 0.163 4.503 4.340 0.000 0.000 0.287 36 R C 0.075 176.272 176.300 -0.172 0.000 1.053 36 R CA -0.141 55.890 56.100 -0.115 0.000 1.036 36 R CB 0.137 30.388 30.300 -0.082 0.000 0.966 36 R HN 0.471 nan 8.270 nan 0.000 0.432 37 I N 3.894 124.322 120.570 -0.237 0.000 2.826 37 I HA -0.179 3.991 4.170 0.000 0.000 0.295 37 I C 1.299 177.212 176.117 -0.339 0.000 1.213 37 I CA 0.806 61.874 61.300 -0.386 0.000 1.436 37 I CB 0.967 38.630 38.000 -0.562 0.000 1.348 37 I HN 0.812 nan 8.210 nan 0.000 0.570 38 S N 4.995 120.509 115.700 -0.310 0.000 2.559 38 S HA 0.111 4.581 4.470 0.000 0.000 0.226 38 S C 1.392 176.048 174.600 0.094 0.000 1.030 38 S CA -0.328 57.814 58.200 -0.096 0.000 0.956 38 S CB 0.024 63.220 63.200 -0.007 0.000 0.900 38 S HN 0.530 nan 8.310 nan 0.000 0.510 39 F N 3.065 122.926 119.950 -0.147 0.000 2.269 39 F HA 0.287 4.814 4.527 0.000 0.000 0.301 39 F C 0.858 176.774 175.800 0.194 0.000 1.082 39 F CA -0.703 57.322 58.000 0.041 0.000 1.360 39 F CB -0.913 38.181 39.000 0.157 0.000 1.041 39 F HN 0.410 nan 8.300 nan 0.000 0.512 40 F N -3.409 116.665 119.950 0.206 0.000 2.877 40 F HA 0.410 4.937 4.527 0.000 0.000 0.319 40 F C -1.041 174.833 175.800 0.123 0.000 1.174 40 F CA -2.122 55.961 58.000 0.139 0.000 0.903 40 F CB 0.478 39.552 39.000 0.123 0.000 1.357 40 F HN -0.386 nan 8.300 nan 0.000 0.472 41 D N 1.781 122.383 120.400 0.336 0.000 2.352 41 D HA 0.417 5.057 4.640 0.000 0.000 0.245 41 D C -1.930 174.575 176.300 0.341 0.000 1.224 41 D CA -2.240 51.888 54.000 0.214 0.000 0.879 41 D CB 1.332 42.242 40.800 0.184 0.000 1.057 41 D HN 0.231 nan 8.370 nan 0.000 0.491 42 P HA -0.001 nan 4.420 nan 0.000 0.233 42 P C 1.267 178.747 177.300 0.300 0.000 1.167 42 P CA 0.228 63.504 63.100 0.294 0.000 0.770 42 P CB 0.347 32.051 31.700 0.007 0.000 0.837 43 S N 0.974 116.760 115.700 0.144 0.000 2.381 43 S HA -0.149 4.321 4.470 0.000 0.000 0.230 43 S C -0.469 174.117 174.600 -0.024 0.000 1.052 43 S CA 2.030 60.262 58.200 0.053 0.000 1.068 43 S CB -2.055 61.162 63.200 0.028 0.000 0.918 43 S HN 0.361 nan 8.310 nan 0.000 0.448 44 P HA 0.041 nan 4.420 nan 0.000 0.226 44 P C -0.300 176.690 177.300 -0.517 0.000 1.153 44 P CA 0.781 63.626 63.100 -0.424 0.000 0.777 44 P CB 0.046 31.348 31.700 -0.663 0.000 0.794 45 Y N -1.976 118.365 120.300 0.067 0.000 2.519 45 Y HA 0.421 4.971 4.550 0.000 0.000 0.324 45 Y C 2.083 178.003 175.900 0.034 0.000 1.214 45 Y CA -1.005 57.131 58.100 0.061 0.000 1.260 45 Y CB 0.580 39.101 38.460 0.103 0.000 1.311 45 Y HN -0.400 nan 8.280 nan 0.000 0.505 46 R N 0.158 120.772 120.500 0.190 0.000 2.055 46 R HA -0.028 4.312 4.340 0.000 0.000 0.228 46 R C 0.473 176.816 176.300 0.071 0.000 1.143 46 R CA 1.190 57.346 56.100 0.094 0.000 0.945 46 R CB -0.255 30.087 30.300 0.069 0.000 0.841 46 R HN 0.553 nan 8.270 nan 0.000 0.429 47 S N 0.537 116.278 115.700 0.069 0.000 2.399 47 S HA 0.114 4.585 4.470 0.000 0.000 0.301 47 S C -0.152 174.463 174.600 0.024 0.000 1.093 47 S CA -0.583 57.621 58.200 0.007 0.000 1.077 47 S CB 1.139 64.305 63.200 -0.057 0.000 0.980 47 S HN 0.367 nan 8.310 nan 0.000 0.494 48 Q N 3.092 122.895 119.800 0.005 0.000 2.188 48 Q HA 0.222 4.562 4.340 0.000 0.000 0.212 48 Q C 0.136 176.087 176.000 -0.082 0.000 0.846 48 Q CA -0.287 55.507 55.803 -0.016 0.000 0.989 48 Q CB 0.549 29.295 28.738 0.013 0.000 1.114 48 Q HN 0.644 nan 8.270 nan 0.000 0.488 49 V N -3.127 116.736 119.914 -0.085 0.000 2.815 49 V HA 1.017 5.137 4.120 0.000 0.000 0.314 49 V C -0.699 175.325 176.094 -0.115 0.000 1.064 49 V CA -0.849 61.389 62.300 -0.104 0.000 0.952 49 V CB 1.734 33.511 31.823 -0.078 0.000 1.020 49 V HN 0.063 nan 8.190 nan 0.000 0.439 50 A N 2.221 124.962 122.820 -0.133 0.000 2.586 50 A HA 0.949 5.269 4.320 0.000 0.000 0.291 50 A C -0.534 176.979 177.584 -0.120 0.000 1.062 50 A CA -0.408 51.555 52.037 -0.124 0.000 0.666 50 A CB 1.155 20.047 19.000 -0.180 0.000 1.281 50 A HN 2.466 nan 8.150 nan 0.000 0.421 51 A N 0.957 123.731 122.820 -0.077 0.000 2.322 51 A HA 0.632 4.952 4.320 0.000 0.000 0.327 51 A C -0.304 177.244 177.584 -0.060 0.000 1.394 51 A CA -0.204 51.805 52.037 -0.046 0.000 0.921 51 A CB -0.190 18.817 19.000 0.012 0.000 1.153 51 A HN 0.636 nan 8.150 nan 0.000 0.523 52 E N 1.507 121.642 120.200 -0.109 0.000 2.216 52 E HA 0.528 4.878 4.350 0.000 0.000 0.279 52 E C -0.014 176.646 176.600 0.099 0.000 0.997 52 E CA -0.476 55.860 56.400 -0.107 0.000 0.817 52 E CB 1.820 31.291 29.700 -0.382 0.000 1.096 52 E HN 0.734 nan 8.360 nan 0.000 0.393 53 A N 2.972 125.948 122.820 0.261 0.000 2.309 53 A HA 0.180 4.501 4.320 0.000 0.000 0.298 53 A C -0.456 177.331 177.584 0.339 0.000 1.165 53 A CA -0.574 51.638 52.037 0.292 0.000 0.821 53 A CB 0.574 19.798 19.000 0.373 0.000 1.102 53 A HN 0.616 nan 8.150 nan 0.000 0.500 54 D N 1.250 121.791 120.400 0.235 0.000 2.374 54 D HA 0.412 5.052 4.640 0.000 0.000 0.240 54 D C -1.299 175.144 176.300 0.238 0.000 1.229 54 D CA 0.813 54.942 54.000 0.216 0.000 0.895 54 D CB -0.160 40.716 40.800 0.128 0.000 1.046 54 D HN 0.264 nan 8.370 nan 0.000 0.498 55 F N 2.814 122.815 119.950 0.085 0.000 2.493 55 F HA 0.306 4.833 4.527 0.000 0.000 0.329 55 F C -0.807 175.020 175.800 0.046 0.000 1.126 55 F CA -1.069 56.936 58.000 0.008 0.000 0.937 55 F CB 1.644 40.649 39.000 0.010 0.000 1.146 55 F HN 0.086 nan 8.300 nan 0.000 0.442 56 D N 8.064 128.191 120.400 -0.455 0.000 2.438 56 D HA 0.369 5.009 4.640 0.000 0.000 0.257 56 D C -2.171 173.903 176.300 -0.378 0.000 1.148 56 D CA -2.463 51.376 54.000 -0.268 0.000 0.902 56 D CB 1.818 42.519 40.800 -0.165 0.000 1.062 56 D HN 0.169 nan 8.370 nan 0.000 0.518 57 P HA -0.179 nan 4.420 nan 0.000 0.215 57 P C 1.647 179.044 177.300 0.162 0.000 1.157 57 P CA 0.682 63.852 63.100 0.116 0.000 0.874 57 P CB 0.455 32.276 31.700 0.200 0.000 0.790 58 V N 0.200 120.152 119.914 0.063 0.000 2.287 58 V HA -0.288 3.832 4.120 0.000 0.000 0.248 58 V C 2.476 178.554 176.094 -0.027 0.000 1.053 58 V CA 2.378 64.702 62.300 0.040 0.000 1.027 58 V CB -1.821 30.014 31.823 0.021 0.000 0.646 58 V HN 0.120 nan 8.190 nan 0.000 0.447 59 A N -0.650 122.124 122.820 -0.076 0.000 1.972 59 A HA -0.187 4.133 4.320 0.000 0.000 0.219 59 A C 2.122 179.613 177.584 -0.155 0.000 1.169 59 A CA 1.479 53.450 52.037 -0.109 0.000 0.635 59 A CB -0.379 18.547 19.000 -0.123 0.000 0.810 59 A HN 0.539 nan 8.150 nan 0.000 0.446 60 E N -1.269 118.812 120.200 -0.199 0.000 2.347 60 E HA 0.051 4.402 4.350 0.000 0.000 0.196 60 E C 1.264 177.638 176.600 -0.376 0.000 1.008 60 E CA 0.842 57.081 56.400 -0.269 0.000 0.852 60 E CB -0.232 29.336 29.700 -0.219 0.000 0.783 60 E HN 0.862 nan 8.360 nan 0.000 0.505 61 G N 0.847 109.483 108.800 -0.274 0.000 2.135 61 G HA2 -0.226 3.734 3.960 0.000 0.000 0.183 61 G HA3 -0.226 3.734 3.960 0.000 0.000 0.183 61 G C -0.128 174.602 174.900 -0.283 0.000 1.004 61 G CA -0.360 44.579 45.100 -0.269 0.000 0.677 61 G HN 0.138 nan 8.290 nan 0.000 0.512 62 F N 1.308 121.261 119.950 0.004 0.000 2.396 62 F HA 0.575 5.103 4.527 0.000 0.000 0.343 62 F C 1.423 177.238 175.800 0.024 0.000 1.104 62 F CA 0.202 58.221 58.000 0.031 0.000 1.161 62 F CB 1.307 40.343 39.000 0.060 0.000 1.146 62 F HN 0.184 nan 8.300 nan 0.000 0.522 63 G N 2.794 111.723 108.800 0.214 0.000 2.588 63 G HA2 0.297 4.258 3.960 0.000 0.000 0.281 63 G HA3 0.297 4.258 3.960 0.000 0.000 0.281 63 G C -2.030 172.946 174.900 0.126 0.000 1.236 63 G CA -1.210 43.966 45.100 0.127 0.000 0.969 63 G HN 0.398 nan 8.290 nan 0.000 0.504 64 P HA -0.070 nan 4.420 nan 0.000 0.215 64 P C 1.999 179.349 177.300 0.083 0.000 1.157 64 P CA 1.077 64.223 63.100 0.077 0.000 0.868 64 P CB 0.157 31.893 31.700 0.059 0.000 0.788 65 R N -0.209 120.341 120.500 0.083 0.000 2.066 65 R HA -0.121 4.219 4.340 0.000 0.000 0.232 65 R C 2.309 178.658 176.300 0.082 0.000 1.131 65 R CA 1.415 57.568 56.100 0.089 0.000 0.955 65 R CB -0.605 29.742 30.300 0.079 0.000 0.851 65 R HN 0.328 nan 8.270 nan 0.000 0.432 66 E N 0.365 120.626 120.200 0.101 0.000 2.058 66 E HA -0.206 4.144 4.350 0.000 0.000 0.194 66 E C 1.856 178.467 176.600 0.018 0.000 0.997 66 E CA 0.974 57.435 56.400 0.101 0.000 0.801 66 E CB -0.044 29.796 29.700 0.234 0.000 0.746 66 E HN 0.083 nan 8.360 nan 0.000 0.450 67 L N 1.102 122.350 121.223 0.041 0.000 2.083 67 L HA -0.176 4.164 4.340 0.000 0.000 0.209 67 L C 2.038 178.907 176.870 -0.001 0.000 1.083 67 L CA 1.830 56.666 54.840 -0.006 0.000 0.752 67 L CB -0.866 41.220 42.059 0.045 0.000 0.899 67 L HN 0.123 nan 8.230 nan 0.000 0.433 68 D N -1.150 119.274 120.400 0.040 0.000 2.183 68 D HA -0.173 4.468 4.640 0.000 0.000 0.203 68 D C 2.404 178.706 176.300 0.004 0.000 0.969 68 D CA 0.700 54.752 54.000 0.088 0.000 0.842 68 D CB 0.250 41.145 40.800 0.160 0.000 0.957 68 D HN 0.136 nan 8.370 nan 0.000 0.484 69 R N -0.480 119.920 120.500 -0.167 0.000 2.051 69 R HA 0.071 4.411 4.340 0.000 0.000 0.225 69 R C 0.495 176.627 176.300 -0.278 0.000 1.155 69 R CA 0.575 56.317 56.100 -0.596 0.000 0.945 69 R CB -0.084 30.045 30.300 -0.284 0.000 0.840 69 R HN 0.194 nan 8.270 nan 0.000 0.432 70 M N 1.614 121.146 119.600 -0.112 0.000 2.233 70 M HA 0.172 4.652 4.480 0.000 0.000 0.350 70 M C -0.191 176.067 176.300 -0.070 0.000 1.176 70 M CA -0.415 54.855 55.300 -0.050 0.000 1.150 70 M CB 0.854 33.403 32.600 -0.084 0.000 1.530 70 M HN 0.009 nan 8.290 nan 0.000 0.459 71 D N 0.952 121.322 120.400 -0.051 0.000 2.361 71 D HA 0.059 4.699 4.640 0.000 0.000 0.239 71 D C 1.149 177.337 176.300 -0.186 0.000 1.200 71 D CA -0.093 53.798 54.000 -0.182 0.000 0.915 71 D CB 0.896 41.580 40.800 -0.194 0.000 1.170 71 D HN 0.673 nan 8.370 nan 0.000 0.444 72 R N 1.809 122.173 120.500 -0.228 0.000 2.105 72 R HA -0.213 4.127 4.340 0.000 0.000 0.239 72 R C 1.821 177.918 176.300 -0.339 0.000 1.135 72 R CA 1.616 57.564 56.100 -0.253 0.000 0.967 72 R CB -0.463 29.652 30.300 -0.308 0.000 0.861 72 R HN 0.573 nan 8.270 nan 0.000 0.442 73 A N -0.212 122.403 122.820 -0.341 0.000 1.972 73 A HA -0.106 4.214 4.320 0.000 0.000 0.219 73 A C 2.127 179.621 177.584 -0.150 0.000 1.169 73 A CA 1.802 53.647 52.037 -0.321 0.000 0.635 73 A CB -0.303 18.552 19.000 -0.242 0.000 0.810 73 A HN 0.408 nan 8.150 nan 0.000 0.446 74 S N -0.527 115.104 115.700 -0.115 0.000 2.406 74 S HA -0.128 4.342 4.470 0.000 0.000 0.228 74 S C 2.021 176.605 174.600 -0.027 0.000 1.020 74 S CA 1.200 59.366 58.200 -0.057 0.000 0.965 74 S CB -0.202 62.966 63.200 -0.053 0.000 0.798 74 S HN 0.710 nan 8.310 nan 0.000 0.488 75 Q N -0.025 119.718 119.800 -0.095 0.000 2.084 75 Q HA -0.063 4.277 4.340 0.000 0.000 0.202 75 Q C 1.623 177.743 176.000 0.200 0.000 0.978 75 Q CA 1.338 57.059 55.803 -0.137 0.000 0.844 75 Q CB -0.264 28.355 28.738 -0.198 0.000 0.898 75 Q HN 0.432 nan 8.270 nan 0.000 0.426 76 F N 0.599 120.377 119.950 -0.287 0.000 2.075 76 F HA -0.198 4.329 4.527 0.000 0.000 0.297 76 F C 2.401 178.171 175.800 -0.050 0.000 1.113 76 F CA 1.106 58.925 58.000 -0.301 0.000 1.218 76 F CB -1.055 37.712 39.000 -0.388 0.000 0.984 76 F HN 0.065 nan 8.300 nan 0.000 0.472 77 A N -0.142 122.771 122.820 0.155 0.000 1.865 77 A HA -0.170 4.150 4.320 0.000 0.000 0.217 77 A C 2.448 180.102 177.584 0.116 0.000 1.191 77 A CA 2.249 54.340 52.037 0.091 0.000 0.623 77 A CB -1.317 17.705 19.000 0.037 0.000 0.826 77 A HN 0.183 nan 8.150 nan 0.000 0.444 78 V N -0.223 119.795 119.914 0.173 0.000 2.343 78 V HA -0.241 3.880 4.120 0.000 0.000 0.247 78 V C 3.074 179.313 176.094 0.242 0.000 1.051 78 V CA 1.953 64.383 62.300 0.218 0.000 1.036 78 V CB -1.234 30.789 31.823 0.332 0.000 0.654 78 V HN 0.643 nan 8.190 nan 0.000 0.451 79 A N -1.158 121.876 122.820 0.355 0.000 1.908 79 A HA -0.286 4.034 4.320 0.000 0.000 0.218 79 A C 2.346 180.008 177.584 0.130 0.000 1.181 79 A CA 2.380 54.574 52.037 0.261 0.000 0.627 79 A CB -1.121 18.133 19.000 0.424 0.000 0.818 79 A HN 0.598 nan 8.150 nan 0.000 0.445 80 C N -1.325 118.035 119.300 0.101 0.000 2.466 80 C HA 0.141 4.602 4.460 0.000 0.000 0.278 80 C C 3.331 178.349 174.990 0.047 0.000 1.288 80 C CA 0.575 59.607 59.018 0.023 0.000 1.722 80 C CB -1.274 26.442 27.740 -0.040 0.000 2.017 80 C HN 0.713 nan 8.230 nan 0.000 0.488 81 A N 0.657 123.533 122.820 0.092 0.000 1.908 81 A HA -0.216 4.104 4.320 0.000 0.000 0.218 81 A C 2.219 179.936 177.584 0.221 0.000 1.181 81 A CA 1.554 53.689 52.037 0.164 0.000 0.627 81 A CB -0.525 18.530 19.000 0.092 0.000 0.818 81 A HN 0.671 nan 8.150 nan 0.000 0.445 82 R N -0.891 119.703 120.500 0.157 0.000 2.081 82 R HA -0.140 4.200 4.340 0.000 0.000 0.235 82 R C 2.333 178.731 176.300 0.164 0.000 1.131 82 R CA 1.514 57.713 56.100 0.165 0.000 0.960 82 R CB -0.291 30.046 30.300 0.062 0.000 0.856 82 R HN 0.795 nan 8.270 nan 0.000 0.436 83 E N 0.536 120.798 120.200 0.102 0.000 2.077 83 E HA -0.190 4.160 4.350 0.000 0.000 0.193 83 E C 1.888 178.549 176.600 0.102 0.000 0.989 83 E CA 1.236 57.678 56.400 0.071 0.000 0.800 83 E CB -0.018 29.696 29.700 0.023 0.000 0.746 83 E HN 0.368 nan 8.360 nan 0.000 0.452 84 A N 0.538 123.426 122.820 0.113 0.000 1.930 84 A HA -0.155 4.165 4.320 0.000 0.000 0.217 84 A C 1.990 179.721 177.584 0.244 0.000 1.175 84 A CA 1.028 53.125 52.037 0.100 0.000 0.627 84 A CB -0.774 18.244 19.000 0.031 0.000 0.815 84 A HN 0.456 nan 8.150 nan 0.000 0.443 85 F N 1.036 121.125 119.950 0.231 0.000 2.095 85 F HA -0.130 4.398 4.527 0.000 0.000 0.298 85 F C 2.655 178.542 175.800 0.145 0.000 1.104 85 F CA 0.671 58.849 58.000 0.297 0.000 1.232 85 F CB -0.996 38.192 39.000 0.313 0.000 0.987 85 F HN 0.276 nan 8.300 nan 0.000 0.475 86 A N 0.103 123.099 122.820 0.294 0.000 1.883 86 A HA -0.093 4.227 4.320 0.000 0.000 0.217 86 A C 2.443 180.106 177.584 0.131 0.000 1.186 86 A CA 2.251 54.362 52.037 0.123 0.000 0.624 86 A CB -1.526 17.511 19.000 0.061 0.000 0.822 86 A HN 0.417 nan 8.150 nan 0.000 0.444 87 A N 0.087 122.988 122.820 0.135 0.000 2.015 87 A HA -0.024 4.296 4.320 0.000 0.000 0.219 87 A C 2.438 180.117 177.584 0.157 0.000 1.163 87 A CA 2.072 54.184 52.037 0.125 0.000 0.646 87 A CB -0.859 18.199 19.000 0.096 0.000 0.806 87 A HN 1.019 nan 8.150 nan 0.000 0.448 88 S N -1.325 114.482 115.700 0.179 0.000 2.402 88 S HA 0.211 4.681 4.470 0.000 0.000 0.229 88 S C 1.754 176.446 174.600 0.154 0.000 1.021 88 S CA 1.515 59.814 58.200 0.166 0.000 0.974 88 S CB -0.760 62.528 63.200 0.147 0.000 0.800 88 S HN 1.945 nan 8.310 nan 0.000 0.484 89 G N 0.300 109.200 108.800 0.166 0.000 2.184 89 G HA2 -0.241 3.719 3.960 0.000 0.000 0.264 89 G HA3 -0.241 3.719 3.960 0.000 0.000 0.264 89 G C -0.091 174.892 174.900 0.139 0.000 0.975 89 G CA 0.238 45.409 45.100 0.118 0.000 0.642 89 G HN 0.685 nan 8.290 nan 0.000 0.536 90 L N 2.020 123.375 121.223 0.221 0.000 2.562 90 L HA 0.380 4.720 4.340 0.000 0.000 0.271 90 L C 0.437 177.471 176.870 0.272 0.000 1.167 90 L CA -0.518 54.471 54.840 0.248 0.000 0.917 90 L CB 0.603 42.840 42.059 0.297 0.000 1.187 90 L HN 0.216 nan 8.230 nan 0.000 0.482 91 D N 7.508 128.005 120.400 0.161 0.000 2.363 91 D HA 0.055 4.695 4.640 0.000 0.000 0.263 91 D C -1.638 174.747 176.300 0.142 0.000 1.258 91 D CA -1.625 52.439 54.000 0.106 0.000 0.907 91 D CB 1.402 42.242 40.800 0.067 0.000 1.107 91 D HN 0.383 nan 8.370 nan 0.000 0.495 92 P HA -0.137 nan 4.420 nan 0.000 0.217 92 P C 0.635 177.999 177.300 0.107 0.000 1.148 92 P CA 0.906 64.082 63.100 0.127 0.000 0.828 92 P CB 0.377 32.043 31.700 -0.056 0.000 0.783 93 D N -1.539 118.897 120.400 0.061 0.000 2.117 93 D HA -0.108 4.532 4.640 0.000 0.000 0.198 93 D C 1.931 178.267 176.300 0.060 0.000 0.982 93 D CA 1.876 55.905 54.000 0.049 0.000 0.828 93 D CB -1.150 39.667 40.800 0.028 0.000 0.967 93 D HN 0.262 nan 8.370 nan 0.000 0.464 94 T N -1.413 113.182 114.554 0.068 0.000 3.118 94 T HA 0.036 4.386 4.350 0.000 0.000 0.260 94 T C 1.065 175.812 174.700 0.079 0.000 1.139 94 T CA -0.055 62.083 62.100 0.064 0.000 1.085 94 T CB -0.279 68.624 68.868 0.059 0.000 0.934 94 T HN -0.010 nan 8.240 nan 0.000 0.518 95 L N 2.167 123.455 121.223 0.109 0.000 2.380 95 L HA 0.352 4.693 4.340 0.000 0.000 0.273 95 L C 0.040 176.966 176.870 0.094 0.000 1.138 95 L CA -0.508 54.404 54.840 0.120 0.000 0.832 95 L CB 0.749 42.920 42.059 0.187 0.000 1.124 95 L HN 0.191 nan 8.230 nan 0.000 0.454 96 D N 4.863 125.311 120.400 0.079 0.000 2.443 96 D HA 0.237 4.877 4.640 0.000 0.000 0.221 96 D C -1.733 174.609 176.300 0.070 0.000 1.097 96 D CA -2.195 51.844 54.000 0.065 0.000 0.865 96 D CB 1.615 42.446 40.800 0.050 0.000 1.034 96 D HN 0.122 nan 8.370 nan 0.000 0.511 97 P HA -0.176 nan 4.420 nan 0.000 0.217 97 P C 0.894 178.231 177.300 0.062 0.000 1.148 97 P CA 1.368 64.512 63.100 0.074 0.000 0.834 97 P CB 0.213 31.956 31.700 0.071 0.000 0.783 98 A N -1.087 121.765 122.820 0.053 0.000 2.209 98 A HA -0.081 4.239 4.320 0.000 0.000 0.212 98 A C 1.714 179.324 177.584 0.043 0.000 1.158 98 A CA 1.069 53.133 52.037 0.045 0.000 0.742 98 A CB -0.465 18.558 19.000 0.039 0.000 0.790 98 A HN 0.024 nan 8.150 nan 0.000 0.472 99 R N -0.834 119.694 120.500 0.048 0.000 2.543 99 R HA 0.273 4.613 4.340 0.000 0.000 0.323 99 R C -0.748 175.583 176.300 0.050 0.000 1.002 99 R CA 0.156 56.282 56.100 0.043 0.000 1.106 99 R CB 0.152 30.475 30.300 0.039 0.000 1.280 99 R HN 0.239 nan 8.270 nan 0.000 0.549 100 V N 0.464 120.417 119.914 0.065 0.000 2.384 100 V HA 0.693 4.814 4.120 0.000 0.000 0.287 100 V C 0.518 176.661 176.094 0.082 0.000 1.020 100 V CA -0.791 61.563 62.300 0.090 0.000 0.850 100 V CB 1.691 33.585 31.823 0.119 0.000 0.987 100 V HN 0.279 nan 8.190 nan 0.000 0.436 101 G N 3.117 111.970 108.800 0.088 0.000 2.788 101 G HA2 0.762 4.722 3.960 0.000 0.000 0.293 101 G HA3 0.762 4.722 3.960 0.000 0.000 0.293 101 G C -1.502 173.454 174.900 0.094 0.000 1.305 101 G CA -0.699 44.440 45.100 0.065 0.000 1.005 101 G HN 0.542 nan 8.290 nan 0.000 0.496 102 V N -0.321 119.622 119.914 0.049 0.000 2.760 102 V HA 0.689 4.809 4.120 0.000 0.000 0.309 102 V C -0.440 175.663 176.094 0.016 0.000 1.077 102 V CA -0.741 61.588 62.300 0.049 0.000 0.910 102 V CB 2.009 33.831 31.823 -0.002 0.000 1.008 102 V HN 0.754 nan 8.190 nan 0.000 0.424 103 S N 5.060 120.773 115.700 0.022 0.000 2.524 103 S HA 0.523 4.993 4.470 0.000 0.000 0.227 103 S C -1.164 173.437 174.600 0.001 0.000 1.304 103 S CA -0.386 57.812 58.200 -0.004 0.000 1.185 103 S CB 0.384 63.572 63.200 -0.019 0.000 1.104 103 S HN 0.603 nan 8.310 nan 0.000 0.475 104 L N 4.626 125.841 121.223 -0.013 0.000 2.295 104 L HA 0.799 5.139 4.340 0.000 0.000 0.285 104 L C 0.400 177.255 176.870 -0.025 0.000 1.035 104 L CA -0.044 54.788 54.840 -0.012 0.000 0.806 104 L CB 1.021 43.064 42.059 -0.027 0.000 1.214 104 L HN 0.761 nan 8.230 nan 0.000 0.426 105 G N 2.085 110.874 108.800 -0.018 0.000 2.400 105 G HA2 0.552 4.512 3.960 0.000 0.000 0.333 105 G HA3 0.552 4.512 3.960 0.000 0.000 0.333 105 G C -1.202 173.677 174.900 -0.035 0.000 1.143 105 G CA -0.349 44.733 45.100 -0.031 0.000 0.914 105 G HN 0.602 nan 8.290 nan 0.000 0.480 106 S N -0.540 115.132 115.700 -0.048 0.000 2.570 106 S HA 0.530 5.000 4.470 0.000 0.000 0.286 106 S C 0.654 175.221 174.600 -0.056 0.000 1.143 106 S CA 0.363 58.531 58.200 -0.053 0.000 0.921 106 S CB 1.182 64.347 63.200 -0.058 0.000 1.108 106 S HN 1.330 nan 8.310 nan 0.000 0.456 107 A N 3.163 125.951 122.820 -0.054 0.000 1.850 107 A HA 0.181 4.502 4.320 0.000 0.000 0.212 107 A C 1.656 179.217 177.584 -0.038 0.000 1.208 107 A CA 1.651 53.660 52.037 -0.045 0.000 0.609 107 A CB -0.787 18.183 19.000 -0.049 0.000 0.860 107 A HN 1.638 nan 8.150 nan 0.000 0.448 108 V N -4.581 115.305 119.914 -0.047 0.000 3.578 108 V HA 0.566 4.686 4.120 0.000 0.000 0.290 108 V C 1.380 177.435 176.094 -0.065 0.000 1.376 108 V CA 0.387 62.657 62.300 -0.050 0.000 1.083 108 V CB -1.071 30.724 31.823 -0.047 0.000 0.911 108 V HN 1.536 nan 8.190 nan 0.000 0.433 109 A N 1.733 124.510 122.820 -0.072 0.000 5.213 109 A HA -0.363 3.957 4.320 0.000 0.000 0.347 109 A C 1.787 179.313 177.584 -0.096 0.000 1.682 109 A CA 2.908 54.899 52.037 -0.078 0.000 0.701 109 A CB -2.111 16.854 19.000 -0.057 0.000 1.474 109 A HN 2.121 nan 8.150 nan 0.000 0.405 110 A N -0.513 122.261 122.820 -0.076 0.000 2.476 110 A HA 0.631 4.951 4.320 0.000 0.000 0.263 110 A C 1.976 179.479 177.584 -0.135 0.000 1.342 110 A CA 1.094 53.065 52.037 -0.110 0.000 0.926 110 A CB -1.298 17.688 19.000 -0.023 0.000 1.019 110 A HN 2.240 nan 8.150 nan 0.000 0.515 111 A N -0.241 122.511 122.820 -0.114 0.000 1.927 111 A HA -0.178 4.142 4.320 0.000 0.000 0.220 111 A C 2.263 179.767 177.584 -0.134 0.000 1.185 111 A CA 2.630 54.601 52.037 -0.109 0.000 0.639 111 A CB -1.021 17.923 19.000 -0.094 0.000 0.820 111 A HN 0.425 nan 8.150 nan 0.000 0.451 112 T N -0.270 114.189 114.554 -0.157 0.000 2.708 112 T HA -0.099 4.251 4.350 0.000 0.000 0.266 112 T C 2.245 176.817 174.700 -0.214 0.000 1.037 112 T CA 1.734 63.734 62.100 -0.167 0.000 1.146 112 T CB -0.313 68.454 68.868 -0.169 0.000 0.865 112 T HN 0.503 nan 8.240 nan 0.000 0.435 113 S N 1.103 116.601 115.700 -0.335 0.000 2.402 113 S HA 0.088 4.558 4.470 0.000 0.000 0.229 113 S C 2.004 176.416 174.600 -0.313 0.000 1.021 113 S CA 0.609 58.503 58.200 -0.510 0.000 0.974 113 S CB -0.385 62.055 63.200 -1.268 0.000 0.800 113 S HN 0.329 nan 8.310 nan 0.000 0.484 114 L N 1.040 122.151 121.223 -0.185 0.000 2.017 114 L HA -0.129 4.211 4.340 0.000 0.000 0.208 114 L C 2.656 179.537 176.870 0.019 0.000 1.073 114 L CA 1.474 56.302 54.840 -0.020 0.000 0.745 114 L CB -0.455 41.591 42.059 -0.021 0.000 0.894 114 L HN 0.299 nan 8.230 nan 0.000 0.432 115 E N 0.144 120.323 120.200 -0.035 0.000 2.110 115 E HA -0.272 4.078 4.350 0.000 0.000 0.193 115 E C 2.287 178.905 176.600 0.029 0.000 0.988 115 E CA 1.102 57.502 56.400 0.000 0.000 0.804 115 E CB 0.083 29.734 29.700 -0.082 0.000 0.745 115 E HN 0.231 nan 8.360 nan 0.000 0.458 116 R N 0.333 120.815 120.500 -0.030 0.000 2.070 116 R HA -0.151 4.189 4.340 0.000 0.000 0.233 116 R C 2.001 178.310 176.300 0.015 0.000 1.137 116 R CA 1.731 57.816 56.100 -0.025 0.000 0.945 116 R CB -0.044 30.218 30.300 -0.064 0.000 0.845 116 R HN 0.084 nan 8.270 nan 0.000 0.430 117 E N -0.081 120.146 120.200 0.045 0.000 2.106 117 E HA -0.218 4.132 4.350 0.000 0.000 0.192 117 E C 1.701 178.331 176.600 0.051 0.000 0.984 117 E CA 0.985 57.436 56.400 0.086 0.000 0.806 117 E CB -0.539 29.262 29.700 0.168 0.000 0.750 117 E HN 0.465 nan 8.360 nan 0.000 0.458 118 Y N 1.339 121.632 120.300 -0.011 0.000 2.165 118 Y HA -0.237 4.313 4.550 0.000 0.000 0.286 118 Y C 2.018 177.891 175.900 -0.045 0.000 1.155 118 Y CA 1.182 59.266 58.100 -0.028 0.000 1.164 118 Y CB -0.247 38.192 38.460 -0.035 0.000 0.978 118 Y HN -0.039 nan 8.280 nan 0.000 0.513 119 L N -0.142 120.983 121.223 -0.163 0.000 2.083 119 L HA -0.229 4.111 4.340 0.000 0.000 0.209 119 L C 2.370 179.052 176.870 -0.314 0.000 1.083 119 L CA 1.536 56.235 54.840 -0.236 0.000 0.752 119 L CB -1.006 41.001 42.059 -0.086 0.000 0.899 119 L HN 0.321 nan 8.230 nan 0.000 0.433 120 L N -1.833 119.250 121.223 -0.234 0.000 2.109 120 L HA -0.173 4.167 4.340 0.000 0.000 0.207 120 L C 2.367 179.040 176.870 -0.329 0.000 1.086 120 L CA 0.861 55.526 54.840 -0.291 0.000 0.760 120 L CB -0.407 41.626 42.059 -0.043 0.000 0.910 120 L HN 0.235 nan 8.230 nan 0.000 0.437 121 L N -0.408 120.684 121.223 -0.217 0.000 2.109 121 L HA -0.139 4.202 4.340 0.000 0.000 0.207 121 L C 2.585 179.293 176.870 -0.271 0.000 1.086 121 L CA 1.495 56.237 54.840 -0.163 0.000 0.760 121 L CB -0.305 41.688 42.059 -0.110 0.000 0.910 121 L HN 0.328 nan 8.230 nan 0.000 0.437 122 S N -2.615 112.797 115.700 -0.480 0.000 2.556 122 S HA -0.004 4.466 4.470 0.000 0.000 0.216 122 S C 0.636 175.047 174.600 -0.316 0.000 0.970 122 S CA 0.153 58.092 58.200 -0.435 0.000 0.912 122 S CB 0.072 62.796 63.200 -0.793 0.000 0.790 122 S HN 0.443 nan 8.310 nan 0.000 0.504 123 D N 1.221 121.403 120.400 -0.364 0.000 2.718 123 D HA -0.176 4.464 4.640 0.000 0.000 0.242 123 D C -0.243 175.923 176.300 -0.224 0.000 1.123 123 D CA 0.782 54.595 54.000 -0.312 0.000 0.690 123 D CB -2.135 38.531 40.800 -0.224 0.000 1.059 123 D HN 0.433 nan 8.370 nan 0.000 0.429 124 S N -1.155 114.397 115.700 -0.246 0.000 3.706 124 S HA -0.022 4.448 4.470 0.000 0.000 0.363 124 S C 1.439 176.021 174.600 -0.030 0.000 0.999 124 S CA 1.514 59.639 58.200 -0.125 0.000 1.143 124 S CB -1.642 61.508 63.200 -0.085 0.000 0.902 124 S HN 1.839 nan 8.310 nan 0.000 0.476 125 G N 0.146 108.925 108.800 -0.035 0.000 2.179 125 G HA2 -0.365 3.595 3.960 0.000 0.000 0.260 125 G HA3 -0.365 3.595 3.960 0.000 0.000 0.260 125 G C 0.740 175.698 174.900 0.096 0.000 0.977 125 G CA 0.704 45.899 45.100 0.158 0.000 0.641 125 G HN 0.637 nan 8.290 nan 0.000 0.533 126 R N 0.132 120.639 120.500 0.012 0.000 2.090 126 R HA 0.085 4.425 4.340 0.000 0.000 0.228 126 R C -0.083 176.249 176.300 0.053 0.000 1.110 126 R CA 1.326 57.438 56.100 0.021 0.000 0.973 126 R CB 0.005 30.294 30.300 -0.018 0.000 0.869 126 R HN 0.397 nan 8.270 nan 0.000 0.440 127 D N -1.172 119.253 120.400 0.041 0.000 2.375 127 D HA -0.008 4.632 4.640 0.000 0.000 0.247 127 D C -0.195 176.206 176.300 0.168 0.000 1.061 127 D CA -0.432 53.621 54.000 0.088 0.000 0.834 127 D CB 1.402 42.219 40.800 0.027 0.000 1.247 127 D HN 0.151 nan 8.370 nan 0.000 0.489 128 W N 2.702 124.022 121.300 0.034 0.000 2.443 128 W HA -0.029 4.631 4.660 0.000 0.000 0.296 128 W C 0.004 176.551 176.519 0.047 0.000 1.202 128 W CA 0.445 57.825 57.345 0.057 0.000 1.312 128 W CB 0.512 29.998 29.460 0.043 0.000 1.120 128 W HN 0.366 nan 8.180 nan 0.000 0.536 129 E N 2.414 122.660 120.200 0.076 0.000 1.861 129 E HA 0.071 4.421 4.350 0.000 0.000 0.263 129 E C 0.390 176.962 176.600 -0.047 0.000 1.137 129 E CA -0.434 55.940 56.400 -0.044 0.000 0.944 129 E CB 0.395 30.128 29.700 0.054 0.000 1.092 129 E HN -0.030 nan 8.360 nan 0.000 0.420 130 V N 0.327 120.173 119.914 -0.112 0.000 3.178 130 V HA -0.001 4.120 4.120 0.000 0.000 0.306 130 V C 0.444 176.526 176.094 -0.020 0.000 1.107 130 V CA -0.442 61.809 62.300 -0.081 0.000 1.195 130 V CB 0.934 32.689 31.823 -0.113 0.000 0.993 130 V HN 0.409 nan 8.190 nan 0.000 0.493 131 D N 2.572 122.989 120.400 0.029 0.000 2.380 131 D HA 0.514 5.154 4.640 0.000 0.000 0.230 131 D C 0.938 177.318 176.300 0.133 0.000 1.154 131 D CA 0.182 54.247 54.000 0.108 0.000 0.859 131 D CB 1.231 42.160 40.800 0.214 0.000 1.045 131 D HN 0.888 nan 8.370 nan 0.000 0.495 132 A N 3.734 126.591 122.820 0.061 0.000 2.186 132 A HA -0.074 4.246 4.320 0.000 0.000 0.219 132 A C 2.021 179.611 177.584 0.011 0.000 1.159 132 A CA 1.589 53.646 52.037 0.034 0.000 0.680 132 A CB -0.328 18.674 19.000 0.004 0.000 0.787 132 A HN 0.621 nan 8.150 nan 0.000 0.467 133 A N -1.665 121.158 122.820 0.004 0.000 2.067 133 A HA -0.042 4.278 4.320 0.000 0.000 0.219 133 A C 1.342 178.725 177.584 -0.335 0.000 1.158 133 A CA 0.938 52.870 52.037 -0.175 0.000 0.661 133 A CB -0.579 18.288 19.000 -0.222 0.000 0.801 133 A HN 0.739 nan 8.150 nan 0.000 0.452 134 W N -0.460 120.819 121.300 -0.034 0.000 3.067 134 W HA 0.455 5.115 4.660 0.000 0.000 0.417 134 W C 0.093 176.596 176.519 -0.027 0.000 1.029 134 W CA -0.622 56.703 57.345 -0.032 0.000 1.992 134 W CB -0.033 29.402 29.460 -0.042 0.000 1.122 134 W HN 0.029 nan 8.180 nan 0.000 0.681 135 L N 2.415 123.695 121.223 0.096 0.000 2.433 135 L HA 0.162 4.502 4.340 0.000 0.000 0.275 135 L C 1.076 177.967 176.870 0.036 0.000 1.128 135 L CA 0.125 55.002 54.840 0.062 0.000 0.875 135 L CB 0.727 42.799 42.059 0.021 0.000 1.171 135 L HN -0.110 nan 8.230 nan 0.000 0.463 136 S N 4.717 120.457 115.700 0.066 0.000 2.572 136 S HA 0.083 4.553 4.470 0.000 0.000 0.279 136 S C 1.379 175.939 174.600 -0.066 0.000 1.341 136 S CA -0.446 57.775 58.200 0.036 0.000 1.043 136 S CB 0.715 64.007 63.200 0.153 0.000 0.887 136 S HN 0.805 nan 8.310 nan 0.000 0.516 137 R N 2.625 122.996 120.500 -0.215 0.000 2.323 137 R HA 0.065 4.405 4.340 0.000 0.000 0.198 137 R C 0.237 176.339 176.300 -0.330 0.000 0.988 137 R CA 0.871 56.795 56.100 -0.293 0.000 1.041 137 R CB -0.403 29.670 30.300 -0.378 0.000 0.926 137 R HN 0.700 nan 8.270 nan 0.000 0.476 138 H N -0.565 118.459 119.070 -0.077 0.000 2.893 138 H HA 0.160 4.716 4.556 0.000 0.000 0.270 138 H C 1.275 176.280 175.328 -0.539 0.000 1.095 138 H CA -0.165 55.727 56.048 -0.259 0.000 1.186 138 H CB 0.508 30.107 29.762 -0.272 0.000 1.562 138 H HN 0.091 nan 8.280 nan 0.000 0.536 139 M N 0.593 120.094 119.600 -0.165 0.000 2.108 139 M HA -0.204 4.276 4.480 0.000 0.000 0.257 139 M C 1.865 178.094 176.300 -0.118 0.000 1.071 139 M CA 1.453 56.689 55.300 -0.108 0.000 1.093 139 M CB -0.720 31.904 32.600 0.040 0.000 1.345 139 M HN 0.179 nan 8.290 nan 0.000 0.403 140 F N 0.641 120.497 119.950 -0.155 0.000 2.202 140 F HA -0.234 4.293 4.527 0.000 0.000 0.301 140 F C 1.637 177.363 175.800 -0.124 0.000 1.082 140 F CA 1.941 59.880 58.000 -0.101 0.000 1.313 140 F CB -0.348 38.611 39.000 -0.067 0.000 1.024 140 F HN 0.230 nan 8.300 nan 0.000 0.495 141 D N -1.391 118.944 120.400 -0.108 0.000 2.363 141 D HA -0.117 4.524 4.640 0.000 0.000 0.226 141 D C 1.518 177.741 176.300 -0.129 0.000 1.020 141 D CA 0.910 54.828 54.000 -0.137 0.000 0.892 141 D CB -0.257 40.489 40.800 -0.090 0.000 0.900 141 D HN 0.470 nan 8.370 nan 0.000 0.531 142 Y N -0.299 119.976 120.300 -0.042 0.000 2.522 142 Y HA 0.041 4.591 4.550 0.000 0.000 0.277 142 Y C 2.142 177.969 175.900 -0.122 0.000 1.104 142 Y CA -0.513 57.549 58.100 -0.063 0.000 1.260 142 Y CB 0.247 38.691 38.460 -0.025 0.000 1.151 142 Y HN -0.104 nan 8.280 nan 0.000 0.539 143 L N 0.157 121.326 121.223 -0.089 0.000 2.056 143 L HA 0.008 4.348 4.340 0.000 0.000 0.207 143 L C 0.455 177.166 176.870 -0.265 0.000 1.078 143 L CA 1.514 56.234 54.840 -0.200 0.000 0.749 143 L CB -0.098 41.761 42.059 -0.334 0.000 0.901 143 L HN -0.124 nan 8.230 nan 0.000 0.433 144 V N 1.292 120.971 119.914 -0.391 0.000 2.284 144 V HA 0.294 4.414 4.120 0.000 0.000 0.274 144 V C -1.674 174.336 176.094 -0.141 0.000 1.023 144 V CA -0.948 61.177 62.300 -0.292 0.000 0.808 144 V CB 0.854 32.417 31.823 -0.434 0.000 1.035 144 V HN 0.146 nan 8.190 nan 0.000 0.445 145 P HA -0.073 nan 4.420 nan 0.000 0.229 145 P C 1.611 178.886 177.300 -0.041 0.000 1.150 145 P CA 0.798 63.875 63.100 -0.038 0.000 0.765 145 P CB 0.197 31.872 31.700 -0.042 0.000 0.783 146 S N -0.586 115.091 115.700 -0.039 0.000 2.441 146 S HA -0.162 4.308 4.470 0.000 0.000 0.242 146 S C 1.871 176.428 174.600 -0.072 0.000 1.018 146 S CA 1.084 59.260 58.200 -0.040 0.000 0.988 146 S CB -1.203 61.994 63.200 -0.004 0.000 0.778 146 S HN 0.115 nan 8.310 nan 0.000 0.498 147 V N 1.702 121.584 119.914 -0.054 0.000 2.594 147 V HA -0.197 3.923 4.120 0.000 0.000 0.253 147 V C 1.805 177.800 176.094 -0.165 0.000 1.069 147 V CA 1.614 63.855 62.300 -0.098 0.000 1.082 147 V CB -0.470 31.347 31.823 -0.010 0.000 0.680 147 V HN 0.527 nan 8.190 nan 0.000 0.469 148 M N 0.200 119.735 119.600 -0.109 0.000 2.065 148 M HA -0.107 4.373 4.480 0.000 0.000 0.259 148 M C 0.022 176.233 176.300 -0.149 0.000 1.069 148 M CA 2.507 57.742 55.300 -0.107 0.000 1.110 148 M CB -1.697 30.860 32.600 -0.073 0.000 1.328 148 M HN 0.304 nan 8.290 nan 0.000 0.405 149 P HA -0.040 nan 4.420 nan 0.000 0.217 149 P C 1.093 178.223 177.300 -0.283 0.000 1.151 149 P CA 1.701 64.706 63.100 -0.159 0.000 0.828 149 P CB -0.174 31.456 31.700 -0.117 0.000 0.788 150 A N 0.003 122.575 122.820 -0.413 0.000 1.877 150 A HA -0.245 4.075 4.320 0.000 0.000 0.216 150 A C 2.338 179.207 177.584 -1.192 0.000 1.186 150 A CA 1.963 53.511 52.037 -0.816 0.000 0.620 150 A CB -1.436 17.033 19.000 -0.885 0.000 0.822 150 A HN 0.086 nan 8.150 nan 0.000 0.443 151 E N -0.287 119.434 120.200 -0.798 0.000 2.085 151 E HA -0.137 4.213 4.350 0.000 0.000 0.194 151 E C 1.899 178.411 176.600 -0.146 0.000 0.994 151 E CA 1.525 57.703 56.400 -0.369 0.000 0.801 151 E CB -0.359 29.270 29.700 -0.119 0.000 0.743 151 E HN 0.277 nan 8.360 nan 0.000 0.453 152 V N 0.345 120.158 119.914 -0.168 0.000 2.358 152 V HA -0.226 3.894 4.120 0.000 0.000 0.246 152 V C 2.272 178.280 176.094 -0.143 0.000 1.047 152 V CA 1.699 63.941 62.300 -0.098 0.000 1.035 152 V CB -0.838 30.938 31.823 -0.079 0.000 0.658 152 V HN 0.424 nan 8.190 nan 0.000 0.452 153 A N -0.615 122.077 122.820 -0.213 0.000 1.940 153 A HA -0.229 4.091 4.320 0.000 0.000 0.219 153 A C 1.960 179.541 177.584 -0.006 0.000 1.176 153 A CA 1.883 53.823 52.037 -0.162 0.000 0.631 153 A CB -0.654 18.232 19.000 -0.191 0.000 0.814 153 A HN 0.676 nan 8.150 nan 0.000 0.446 154 W N -0.565 120.721 121.300 -0.022 0.000 2.436 154 W HA 0.098 4.758 4.660 0.000 0.000 0.284 154 W C 2.685 179.198 176.519 -0.010 0.000 1.225 154 W CA 0.480 57.822 57.345 -0.006 0.000 1.271 154 W CB -1.166 28.302 29.460 0.014 0.000 1.114 154 W HN 0.449 nan 8.180 nan 0.000 0.559 155 A N 0.428 123.360 122.820 0.188 0.000 1.929 155 A HA -0.063 4.257 4.320 0.000 0.000 0.216 155 A C 1.958 179.576 177.584 0.057 0.000 1.176 155 A CA 2.262 54.367 52.037 0.112 0.000 0.628 155 A CB -0.864 18.192 19.000 0.093 0.000 0.816 155 A HN 0.142 nan 8.150 nan 0.000 0.444 156 V N -4.124 115.745 119.914 -0.075 0.000 3.621 156 V HA 0.530 4.650 4.120 0.000 0.000 0.285 156 V C 1.179 177.261 176.094 -0.019 0.000 1.346 156 V CA 0.609 62.805 62.300 -0.174 0.000 1.104 156 V CB -0.776 30.335 31.823 -1.186 0.000 0.913 156 V HN 1.497 nan 8.190 nan 0.000 0.432 157 G N 0.548 109.372 108.800 0.040 0.000 2.225 157 G HA2 -0.040 3.920 3.960 0.000 0.000 0.264 157 G HA3 -0.040 3.920 3.960 0.000 0.000 0.264 157 G C 0.242 175.177 174.900 0.058 0.000 1.060 157 G CA 0.256 45.408 45.100 0.086 0.000 0.833 157 G HN 1.709 nan 8.290 nan 0.000 0.498 158 A N -0.503 122.325 122.820 0.014 0.000 2.366 158 A HA 0.722 5.042 4.320 0.000 0.000 0.272 158 A C 0.875 178.492 177.584 0.055 0.000 1.135 158 A CA 0.369 52.419 52.037 0.021 0.000 0.804 158 A CB 0.442 19.430 19.000 -0.020 0.000 1.064 158 A HN 0.508 nan 8.150 nan 0.000 0.499 159 E N 1.987 122.222 120.200 0.058 0.000 2.676 159 E HA 0.151 4.501 4.350 0.000 0.000 0.225 159 E C 1.017 177.645 176.600 0.048 0.000 0.944 159 E CA 0.185 56.622 56.400 0.061 0.000 1.156 159 E CB 0.981 30.720 29.700 0.065 0.000 1.117 159 E HN 0.796 nan 8.360 nan 0.000 0.523 160 G N 2.220 111.046 108.800 0.043 0.000 2.666 160 G HA2 0.244 4.204 3.960 0.000 0.000 0.207 160 G HA3 0.244 4.204 3.960 0.000 0.000 0.207 160 G C -2.430 172.486 174.900 0.027 0.000 1.481 160 G CA -0.811 44.311 45.100 0.036 0.000 1.071 160 G HN -0.131 nan 8.290 nan 0.000 0.572 161 P HA 0.337 nan 4.420 nan 0.000 0.265 161 P C -0.833 176.472 177.300 0.008 0.000 1.222 161 P CA -0.017 63.091 63.100 0.014 0.000 0.767 161 P CB 1.165 32.872 31.700 0.012 0.000 0.801 162 V N 4.044 123.957 119.914 -0.002 0.000 2.531 162 V HA 0.659 4.779 4.120 0.000 0.000 0.301 162 V C 0.177 176.255 176.094 -0.028 0.000 1.034 162 V CA -0.086 62.202 62.300 -0.021 0.000 0.865 162 V CB 1.960 33.757 31.823 -0.042 0.000 0.995 162 V HN 0.558 nan 8.190 nan 0.000 0.424 163 T N 4.714 119.250 114.554 -0.031 0.000 2.769 163 T HA 0.590 4.940 4.350 0.000 0.000 0.306 163 T C -1.445 173.232 174.700 -0.038 0.000 1.400 163 T CA -0.531 61.550 62.100 -0.032 0.000 1.007 163 T CB 1.790 70.646 68.868 -0.020 0.000 1.392 163 T HN 0.655 nan 8.240 nan 0.000 0.500 164 M N 3.129 122.706 119.600 -0.039 0.000 2.294 164 M HA 0.737 5.217 4.480 0.000 0.000 0.335 164 M C -1.673 174.602 176.300 -0.042 0.000 1.079 164 M CA -0.569 54.705 55.300 -0.043 0.000 0.982 164 M CB 1.297 33.869 32.600 -0.047 0.000 1.651 164 M HN 0.385 nan 8.290 nan 0.000 0.437 165 V N 3.436 123.321 119.914 -0.049 0.000 2.417 165 V HA 0.484 4.604 4.120 0.000 0.000 0.291 165 V C -0.391 175.656 176.094 -0.079 0.000 1.024 165 V CA -0.499 61.763 62.300 -0.063 0.000 0.861 165 V CB 1.568 33.352 31.823 -0.066 0.000 0.985 165 V HN 0.875 nan 8.190 nan 0.000 0.436 166 S N 2.958 118.600 115.700 -0.097 0.000 2.259 166 S HA 0.341 4.811 4.470 0.000 0.000 0.181 166 S C 0.318 174.811 174.600 -0.178 0.000 1.589 166 S CA -0.256 57.882 58.200 -0.104 0.000 1.234 166 S CB 0.331 63.492 63.200 -0.065 0.000 1.119 166 S HN 0.955 nan 8.310 nan 0.000 0.458 167 T N 0.693 115.077 114.554 -0.283 0.000 3.316 167 T HA 0.607 4.957 4.350 0.000 0.000 0.253 167 T C 1.203 175.675 174.700 -0.379 0.000 0.995 167 T CA 0.060 61.785 62.100 -0.624 0.000 1.031 167 T CB 0.085 68.367 68.868 -0.977 0.000 1.125 167 T HN 1.059 nan 8.240 nan 0.000 0.539 168 G N 1.203 109.930 108.800 -0.121 0.000 2.583 168 G HA2 -0.344 3.616 3.960 0.000 0.000 0.292 168 G HA3 -0.344 3.616 3.960 0.000 0.000 0.292 168 G C 0.993 175.875 174.900 -0.029 0.000 1.203 168 G CA 0.038 45.137 45.100 -0.001 0.000 0.987 168 G HN 0.708 nan 8.290 nan 0.000 0.554 169 C N 1.496 120.795 119.300 -0.003 0.000 2.573 169 C HA 0.397 4.858 4.460 0.000 0.000 0.273 169 C C 2.498 177.533 174.990 0.075 0.000 1.346 169 C CA 1.614 60.654 59.018 0.037 0.000 1.702 169 C CB -1.835 25.947 27.740 0.069 0.000 1.751 169 C HN 1.058 nan 8.230 nan 0.000 0.583 170 T N -3.878 110.685 114.554 0.015 0.000 3.044 170 T HA 0.054 4.405 4.350 0.000 0.000 0.260 170 T C 1.467 176.160 174.700 -0.012 0.000 1.019 170 T CA 0.481 62.593 62.100 0.021 0.000 0.921 170 T CB -0.166 68.725 68.868 0.039 0.000 1.053 170 T HN 0.286 nan 8.240 nan 0.000 0.533 171 S N 1.948 117.619 115.700 -0.048 0.000 2.365 171 S HA -0.054 4.416 4.470 0.000 0.000 0.225 171 S C 2.384 176.977 174.600 -0.012 0.000 1.039 171 S CA 1.622 59.787 58.200 -0.058 0.000 1.033 171 S CB -1.080 62.084 63.200 -0.060 0.000 0.887 171 S HN 0.767 nan 8.310 nan 0.000 0.447 172 G N 0.693 109.509 108.800 0.027 0.000 2.462 172 G HA2 -0.141 3.819 3.960 0.000 0.000 0.220 172 G HA3 -0.141 3.819 3.960 0.000 0.000 0.220 172 G C 1.248 176.181 174.900 0.056 0.000 1.121 172 G CA 0.750 45.886 45.100 0.060 0.000 0.758 172 G HN 0.354 nan 8.290 nan 0.000 0.559 173 L N 0.303 121.557 121.223 0.051 0.000 2.269 173 L HA 0.223 4.563 4.340 0.000 0.000 0.200 173 L C 2.134 178.986 176.870 -0.030 0.000 1.069 173 L CA 1.040 55.909 54.840 0.049 0.000 0.804 173 L CB -0.322 41.821 42.059 0.141 0.000 0.987 173 L HN 0.031 nan 8.230 nan 0.000 0.468 174 D N -0.817 119.592 120.400 0.015 0.000 2.218 174 D HA -0.144 4.496 4.640 0.000 0.000 0.204 174 D C 2.255 178.465 176.300 -0.150 0.000 0.976 174 D CA 1.426 55.406 54.000 -0.034 0.000 0.853 174 D CB -0.005 40.807 40.800 0.020 0.000 0.939 174 D HN 0.402 nan 8.370 nan 0.000 0.481 175 S N 0.174 115.813 115.700 -0.102 0.000 2.368 175 S HA -0.101 4.369 4.470 0.000 0.000 0.224 175 S C 2.241 176.765 174.600 -0.126 0.000 1.029 175 S CA 0.772 58.920 58.200 -0.087 0.000 0.988 175 S CB -0.649 62.531 63.200 -0.034 0.000 0.838 175 S HN 0.096 nan 8.310 nan 0.000 0.462 176 V N 2.432 122.256 119.914 -0.150 0.000 2.358 176 V HA 0.012 4.132 4.120 0.000 0.000 0.246 176 V C 2.954 178.841 176.094 -0.345 0.000 1.047 176 V CA 1.703 63.889 62.300 -0.191 0.000 1.035 176 V CB -1.704 29.998 31.823 -0.201 0.000 0.658 176 V HN 0.647 nan 8.190 nan 0.000 0.452 177 G N 0.306 108.720 108.800 -0.643 0.000 2.440 177 G HA2 -0.383 3.577 3.960 0.000 0.000 0.218 177 G HA3 -0.383 3.577 3.960 0.000 0.000 0.218 177 G C 1.420 175.981 174.900 -0.565 0.000 1.154 177 G CA 1.323 45.717 45.100 -1.178 0.000 0.767 177 G HN 0.583 nan 8.290 nan 0.000 0.552 178 N N 1.168 119.656 118.700 -0.354 0.000 2.104 178 N HA -0.035 4.705 4.740 0.000 0.000 0.190 178 N C 2.347 177.792 175.510 -0.108 0.000 1.024 178 N CA 1.931 54.892 53.050 -0.148 0.000 0.853 178 N CB -0.426 38.007 38.487 -0.092 0.000 1.008 178 N HN 0.250 nan 8.380 nan 0.000 0.424 179 A N -0.117 122.632 122.820 -0.119 0.000 1.933 179 A HA -0.048 4.272 4.320 0.000 0.000 0.218 179 A C 2.418 179.954 177.584 -0.081 0.000 1.175 179 A CA 1.498 53.488 52.037 -0.078 0.000 0.628 179 A CB -0.840 18.119 19.000 -0.068 0.000 0.814 179 A HN 0.203 nan 8.150 nan 0.000 0.444 180 V N 0.314 120.156 119.914 -0.120 0.000 2.295 180 V HA -0.243 3.877 4.120 0.000 0.000 0.246 180 V C 2.717 178.784 176.094 -0.046 0.000 1.049 180 V CA 2.047 64.294 62.300 -0.089 0.000 1.024 180 V CB -0.773 30.983 31.823 -0.112 0.000 0.648 180 V HN 0.460 nan 8.190 nan 0.000 0.447 181 R N 0.379 120.855 120.500 -0.040 0.000 2.096 181 R HA -0.068 4.273 4.340 0.000 0.000 0.235 181 R C 2.339 178.638 176.300 -0.002 0.000 1.127 181 R CA 1.534 57.634 56.100 0.000 0.000 0.968 181 R CB -1.351 28.961 30.300 0.021 0.000 0.861 181 R HN 0.552 nan 8.270 nan 0.000 0.440 182 A N 1.222 124.033 122.820 -0.014 0.000 1.858 182 A HA -0.114 4.206 4.320 0.000 0.000 0.216 182 A C 2.347 179.930 177.584 -0.002 0.000 1.190 182 A CA 1.310 53.344 52.037 -0.006 0.000 0.617 182 A CB -0.523 18.471 19.000 -0.009 0.000 0.827 182 A HN 0.201 nan 8.150 nan 0.000 0.443 183 I N -0.440 120.124 120.570 -0.009 0.000 2.226 183 I HA -0.251 3.920 4.170 0.000 0.000 0.245 183 I C 2.501 178.622 176.117 0.005 0.000 1.100 183 I CA 1.555 62.853 61.300 -0.003 0.000 1.374 183 I CB -0.546 37.447 38.000 -0.012 0.000 1.057 183 I HN 0.434 nan 8.210 nan 0.000 0.413 184 E N 1.005 121.208 120.200 0.004 0.000 2.077 184 E HA -0.273 4.077 4.350 0.000 0.000 0.193 184 E C 1.897 178.507 176.600 0.015 0.000 0.989 184 E CA 1.630 58.037 56.400 0.012 0.000 0.800 184 E CB -0.202 29.506 29.700 0.013 0.000 0.746 184 E HN 0.649 nan 8.360 nan 0.000 0.452 185 E N -0.032 120.177 120.200 0.014 0.000 2.482 185 E HA -0.020 4.330 4.350 0.000 0.000 0.196 185 E C 1.115 177.724 176.600 0.015 0.000 1.047 185 E CA 0.617 57.026 56.400 0.016 0.000 0.869 185 E CB 0.127 29.837 29.700 0.017 0.000 0.836 185 E HN 0.240 nan 8.360 nan 0.000 0.520 186 G N 0.540 109.349 108.800 0.014 0.000 2.141 186 G HA2 -0.304 3.656 3.960 0.000 0.000 0.242 186 G HA3 -0.304 3.656 3.960 0.000 0.000 0.242 186 G C 0.928 175.837 174.900 0.015 0.000 0.982 186 G CA 0.377 45.486 45.100 0.015 0.000 0.662 186 G HN 0.302 nan 8.290 nan 0.000 0.527 187 S N -0.332 115.377 115.700 0.014 0.000 2.527 187 S HA 0.600 5.070 4.470 0.000 0.000 0.222 187 S C 0.966 175.575 174.600 0.016 0.000 0.985 187 S CA 1.430 59.639 58.200 0.015 0.000 0.921 187 S CB 0.252 63.460 63.200 0.013 0.000 0.772 187 S HN 1.911 nan 8.310 nan 0.000 0.529 188 A N 0.215 123.044 122.820 0.014 0.000 2.597 188 A HA 0.576 4.897 4.320 0.000 0.000 0.292 188 A C -0.957 176.634 177.584 0.013 0.000 1.057 188 A CA -0.615 51.432 52.037 0.017 0.000 0.674 188 A CB 0.499 19.509 19.000 0.016 0.000 1.278 188 A HN 0.023 nan 8.150 nan 0.000 0.416 189 D N -0.556 119.853 120.400 0.015 0.000 2.422 189 D HA 0.255 4.895 4.640 0.000 0.000 0.218 189 D C 0.083 176.381 176.300 -0.004 0.000 1.047 189 D CA 1.078 55.085 54.000 0.010 0.000 0.885 189 D CB 0.957 41.767 40.800 0.018 0.000 1.035 189 D HN 0.266 nan 8.370 nan 0.000 0.502 190 V N 2.093 122.004 119.914 -0.005 0.000 2.656 190 V HA 0.441 4.561 4.120 0.000 0.000 0.307 190 V C -0.439 175.631 176.094 -0.041 0.000 1.051 190 V CA -0.576 61.695 62.300 -0.048 0.000 0.893 190 V CB 2.533 34.335 31.823 -0.034 0.000 0.999 190 V HN -0.035 nan 8.190 nan 0.000 0.426 191 M N 4.210 123.737 119.600 -0.121 0.000 2.393 191 M HA 0.556 5.036 4.480 0.000 0.000 0.299 191 M C -1.411 174.769 176.300 -0.201 0.000 1.103 191 M CA -0.367 54.893 55.300 -0.065 0.000 0.910 191 M CB 1.991 34.563 32.600 -0.045 0.000 1.659 191 M HN 0.511 nan 8.290 nan 0.000 0.445 192 F N 2.006 121.913 119.950 -0.071 0.000 2.308 192 F HA 0.649 5.177 4.527 0.000 0.000 0.370 192 F C 0.411 176.197 175.800 -0.022 0.000 1.100 192 F CA -0.390 57.570 58.000 -0.067 0.000 1.108 192 F CB 1.032 39.966 39.000 -0.110 0.000 1.293 192 F HN 0.623 nan 8.300 nan 0.000 0.478 193 A N 2.363 125.245 122.820 0.104 0.000 2.356 193 A HA 0.996 5.316 4.320 0.000 0.000 0.323 193 A C -0.010 177.694 177.584 0.200 0.000 1.119 193 A CA -0.082 52.024 52.037 0.114 0.000 0.790 193 A CB 1.478 20.510 19.000 0.054 0.000 1.273 193 A HN 0.914 nan 8.150 nan 0.000 0.452 194 G N -1.141 107.748 108.800 0.148 0.000 2.360 194 G HA2 0.735 4.695 3.960 0.000 0.000 0.276 194 G HA3 0.735 4.695 3.960 0.000 0.000 0.276 194 G C -0.855 174.092 174.900 0.078 0.000 1.256 194 G CA 0.339 45.536 45.100 0.161 0.000 0.890 194 G HN 2.271 nan 8.290 nan 0.000 0.486 195 A N -1.662 121.188 122.820 0.050 0.000 2.610 195 A HA 1.115 5.435 4.320 0.000 0.000 0.291 195 A C -0.649 176.939 177.584 0.007 0.000 1.086 195 A CA 0.383 52.433 52.037 0.023 0.000 0.677 195 A CB 1.175 20.194 19.000 0.032 0.000 1.278 195 A HN 2.618 nan 8.150 nan 0.000 0.414 196 A N 0.702 123.513 122.820 -0.015 0.000 2.566 196 A HA 0.759 5.079 4.320 0.000 0.000 0.297 196 A C -2.029 175.503 177.584 -0.086 0.000 1.059 196 A CA -0.387 51.629 52.037 -0.035 0.000 0.691 196 A CB 1.539 20.525 19.000 -0.022 0.000 1.282 196 A HN 0.716 nan 8.150 nan 0.000 0.401 197 D N 1.280 121.603 120.400 -0.129 0.000 2.927 197 D HA 0.548 5.188 4.640 0.000 0.000 0.219 197 D C -1.028 175.127 176.300 -0.242 0.000 1.248 197 D CA 0.179 54.086 54.000 -0.155 0.000 0.861 197 D CB 2.251 42.993 40.800 -0.097 0.000 1.677 197 D HN 0.656 nan 8.370 nan 0.000 0.511 198 T N -0.767 113.628 114.554 -0.266 0.000 3.410 198 T HA 0.362 4.712 4.350 0.000 0.000 0.328 198 T C -2.216 172.407 174.700 -0.128 0.000 1.567 198 T CA -1.176 60.749 62.100 -0.292 0.000 1.626 198 T CB 1.501 70.079 68.868 -0.484 0.000 0.939 198 T HN 0.079 nan 8.240 nan 0.000 0.656 199 P HA 0.327 nan 4.420 nan 0.000 0.262 199 P C 0.312 177.656 177.300 0.074 0.000 1.304 199 P CA -0.291 62.812 63.100 0.005 0.000 0.859 199 P CB 0.092 31.810 31.700 0.030 0.000 1.310 200 I N 0.726 121.374 120.570 0.130 0.000 2.352 200 I HA 0.109 4.279 4.170 0.000 0.000 0.303 200 I C 0.445 176.790 176.117 0.380 0.000 1.194 200 I CA 0.603 62.049 61.300 0.242 0.000 1.518 200 I CB -0.559 37.546 38.000 0.175 0.000 1.489 200 I HN -0.067 nan 8.210 nan 0.000 0.702 201 T N 4.755 119.404 114.554 0.157 0.000 2.932 201 T HA 0.308 4.658 4.350 0.000 0.000 0.318 201 T C -2.071 172.372 174.700 -0.429 0.000 1.265 201 T CA -1.467 60.524 62.100 -0.182 0.000 1.036 201 T CB 2.060 70.847 68.868 -0.135 0.000 1.209 201 T HN 0.030 nan 8.240 nan 0.000 0.484 202 P HA -0.132 nan 4.420 nan 0.000 0.217 202 P C 1.497 178.609 177.300 -0.312 0.000 1.158 202 P CA 0.867 63.556 63.100 -0.685 0.000 0.887 202 P CB 0.061 31.462 31.700 -0.498 0.000 0.792 203 I N -1.060 119.379 120.570 -0.218 0.000 2.286 203 I HA -0.181 3.989 4.170 0.000 0.000 0.248 203 I C 1.908 177.941 176.117 -0.140 0.000 1.115 203 I CA 1.588 62.800 61.300 -0.147 0.000 1.392 203 I CB -0.683 37.227 38.000 -0.150 0.000 1.065 203 I HN -0.219 nan 8.210 nan 0.000 0.418 204 V N -0.535 119.300 119.914 -0.131 0.000 2.453 204 V HA -0.183 3.937 4.120 0.000 0.000 0.247 204 V C 2.472 178.556 176.094 -0.017 0.000 1.048 204 V CA 1.499 63.737 62.300 -0.104 0.000 1.049 204 V CB -0.426 31.399 31.823 0.003 0.000 0.672 204 V HN 0.288 nan 8.190 nan 0.000 0.457 205 V N 0.527 120.440 119.914 -0.002 0.000 2.358 205 V HA -0.216 3.904 4.120 0.000 0.000 0.246 205 V C 2.716 178.839 176.094 0.048 0.000 1.047 205 V CA 1.957 64.282 62.300 0.042 0.000 1.035 205 V CB -1.087 30.668 31.823 -0.113 0.000 0.658 205 V HN 0.543 nan 8.190 nan 0.000 0.452 206 A N 0.003 122.822 122.820 -0.001 0.000 1.933 206 A HA -0.267 4.053 4.320 0.000 0.000 0.218 206 A C 2.414 180.018 177.584 0.033 0.000 1.175 206 A CA 1.968 54.068 52.037 0.105 0.000 0.628 206 A CB -1.024 18.056 19.000 0.133 0.000 0.814 206 A HN 0.792 nan 8.150 nan 0.000 0.444 207 C N -2.328 116.929 119.300 -0.071 0.000 2.446 207 C HA 0.117 4.578 4.460 0.000 0.000 0.279 207 C C 2.198 177.120 174.990 -0.113 0.000 1.366 207 C CA 0.610 59.544 59.018 -0.141 0.000 1.763 207 C CB -1.650 25.930 27.740 -0.266 0.000 1.929 207 C HN 0.425 nan 8.230 nan 0.000 0.509 208 F N 1.735 121.720 119.950 0.059 0.000 2.416 208 F HA 0.117 4.645 4.527 0.000 0.000 0.296 208 F C 2.200 178.002 175.800 0.004 0.000 1.099 208 F CA 1.362 59.392 58.000 0.049 0.000 1.427 208 F CB -0.557 38.434 39.000 -0.015 0.000 1.079 208 F HN 0.189 nan 8.300 nan 0.000 0.536 209 D N 0.073 120.581 120.400 0.178 0.000 2.144 209 D HA -0.096 4.544 4.640 0.000 0.000 0.200 209 D C 2.402 178.756 176.300 0.090 0.000 0.978 209 D CA 1.249 55.318 54.000 0.115 0.000 0.833 209 D CB -0.493 40.385 40.800 0.131 0.000 0.961 209 D HN 0.185 nan 8.370 nan 0.000 0.470 210 A N 1.274 124.142 122.820 0.081 0.000 1.948 210 A HA -0.167 4.153 4.320 0.000 0.000 0.220 210 A C 2.165 179.783 177.584 0.056 0.000 1.177 210 A CA 1.458 53.526 52.037 0.052 0.000 0.636 210 A CB -0.748 18.268 19.000 0.026 0.000 0.815 210 A HN 0.465 nan 8.150 nan 0.000 0.449 211 I N -5.969 114.655 120.570 0.091 0.000 3.928 211 I HA 0.348 4.518 4.170 0.000 0.000 0.335 211 I C 0.444 176.624 176.117 0.104 0.000 1.325 211 I CA -0.237 61.122 61.300 0.098 0.000 1.107 211 I CB 0.046 38.128 38.000 0.137 0.000 1.014 211 I HN 0.149 nan 8.210 nan 0.000 0.400 212 R N 1.084 121.637 120.500 0.088 0.000 3.416 212 R HA -0.217 4.123 4.340 0.000 0.000 0.263 212 R C 1.208 177.527 176.300 0.032 0.000 1.053 212 R CA 0.457 56.585 56.100 0.047 0.000 0.705 212 R CB -1.786 28.531 30.300 0.029 0.000 1.124 212 R HN 0.695 nan 8.270 nan 0.000 0.444 213 A N -0.199 122.660 122.820 0.066 0.000 2.016 213 A HA -0.001 4.319 4.320 0.000 0.000 0.217 213 A C 1.129 178.476 177.584 -0.395 0.000 1.162 213 A CA 1.359 53.409 52.037 0.022 0.000 0.662 213 A CB 0.128 19.321 19.000 0.322 0.000 0.812 213 A HN 0.480 nan 8.150 nan 0.000 0.450 214 T N -2.413 111.829 114.554 -0.519 0.000 2.934 214 T HA 0.452 4.802 4.350 0.000 0.000 0.283 214 T C 0.158 174.674 174.700 -0.307 0.000 1.005 214 T CA -0.021 61.658 62.100 -0.702 0.000 1.041 214 T CB 1.161 69.627 68.868 -0.670 0.000 1.042 214 T HN 0.124 nan 8.240 nan 0.000 0.505 215 T N 0.433 114.838 114.554 -0.249 0.000 2.930 215 T HA 0.377 4.727 4.350 0.000 0.000 0.306 215 T C 1.126 175.775 174.700 -0.084 0.000 1.045 215 T CA -0.132 61.895 62.100 -0.123 0.000 1.134 215 T CB -0.044 68.773 68.868 -0.085 0.000 0.961 215 T HN 0.851 nan 8.240 nan 0.000 0.545 216 A N 4.689 127.479 122.820 -0.049 0.000 2.379 216 A HA 0.293 4.614 4.320 0.000 0.000 0.236 216 A C 1.248 178.821 177.584 -0.017 0.000 1.272 216 A CA -0.228 51.793 52.037 -0.026 0.000 0.886 216 A CB -0.127 18.864 19.000 -0.014 0.000 0.962 216 A HN 0.805 nan 8.150 nan 0.000 0.504 217 R N 1.379 121.867 120.500 -0.021 0.000 2.612 217 R HA 0.135 4.475 4.340 0.000 0.000 0.273 217 R C -0.200 176.093 176.300 -0.012 0.000 1.376 217 R CA -0.141 55.953 56.100 -0.010 0.000 1.171 217 R CB -0.199 30.099 30.300 -0.003 0.000 1.151 217 R HN 0.350 nan 8.270 nan 0.000 0.560 218 N N 1.667 120.361 118.700 -0.009 0.000 2.373 218 N HA -0.106 4.634 4.740 0.000 0.000 0.181 218 N C 0.345 175.849 175.510 -0.009 0.000 1.082 218 N CA 0.448 53.490 53.050 -0.013 0.000 0.885 218 N CB 0.375 38.858 38.487 -0.007 0.000 0.977 218 N HN 0.637 nan 8.380 nan 0.000 0.462 219 D N -0.311 120.089 120.400 -0.000 0.000 2.277 219 D HA -0.083 4.558 4.640 0.000 0.000 0.208 219 D C -0.136 176.172 176.300 0.014 0.000 0.962 219 D CA 0.702 54.705 54.000 0.006 0.000 0.865 219 D CB 0.115 40.920 40.800 0.009 0.000 0.939 219 D HN -0.082 nan 8.370 nan 0.000 0.510 220 D N -0.074 120.338 120.400 0.020 0.000 2.552 220 D HA 0.226 4.866 4.640 0.000 0.000 0.285 220 D C -2.017 174.284 176.300 0.002 0.000 1.206 220 D CA -2.061 51.965 54.000 0.043 0.000 0.826 220 D CB 1.575 42.445 40.800 0.117 0.000 1.179 220 D HN -0.204 nan 8.370 nan 0.000 0.508 221 P HA -0.142 nan 4.420 nan 0.000 0.216 221 P C 0.944 178.166 177.300 -0.130 0.000 1.153 221 P CA 1.077 64.132 63.100 -0.075 0.000 0.858 221 P CB 0.494 32.147 31.700 -0.078 0.000 0.789 222 E N -1.834 118.227 120.200 -0.231 0.000 2.267 222 E HA -0.172 4.178 4.350 0.000 0.000 0.197 222 E C 0.997 177.256 176.600 -0.569 0.000 0.998 222 E CA 1.022 57.168 56.400 -0.423 0.000 0.830 222 E CB -0.490 28.863 29.700 -0.580 0.000 0.751 222 E HN 0.515 nan 8.360 nan 0.000 0.491 223 H N -2.209 116.852 119.070 -0.014 0.000 2.662 223 H HA 0.446 5.002 4.556 0.000 0.000 0.268 223 H C 1.163 176.482 175.328 -0.014 0.000 1.152 223 H CA 0.430 56.471 56.048 -0.012 0.000 1.072 223 H CB 0.536 30.292 29.762 -0.009 0.000 1.660 223 H HN 0.138 nan 8.280 nan 0.000 0.584 224 A N 0.859 123.697 122.820 0.029 0.000 1.930 224 A HA -0.090 4.230 4.320 0.000 0.000 0.217 224 A C 1.583 179.172 177.584 0.008 0.000 1.175 224 A CA 0.916 52.960 52.037 0.012 0.000 0.627 224 A CB -0.045 18.942 19.000 -0.022 0.000 0.815 224 A HN 0.199 nan 8.150 nan 0.000 0.443 225 S N 0.593 116.298 115.700 0.009 0.000 2.439 225 S HA 0.432 4.902 4.470 0.000 0.000 0.282 225 S C 0.136 174.744 174.600 0.012 0.000 1.170 225 S CA -0.708 57.496 58.200 0.006 0.000 1.054 225 S CB -0.104 63.100 63.200 0.008 0.000 0.956 225 S HN 0.485 nan 8.310 nan 0.000 0.490 226 R N 4.161 124.657 120.500 -0.006 0.000 2.644 226 R HA 0.355 4.695 4.340 0.000 0.000 0.271 226 R C -3.096 173.173 176.300 -0.053 0.000 1.687 226 R CA -1.693 54.405 56.100 -0.002 0.000 1.655 226 R CB 0.464 30.773 30.300 0.015 0.000 1.285 226 R HN 0.340 nan 8.270 nan 0.000 0.643 227 P HA -0.015 nan 4.420 nan 0.000 0.269 227 P C 0.009 177.164 177.300 -0.242 0.000 1.209 227 P CA 0.200 63.109 63.100 -0.318 0.000 0.776 227 P CB 0.270 31.728 31.700 -0.403 0.000 0.876 228 F N -2.504 117.318 119.950 -0.213 0.000 2.778 228 F HA -0.289 4.238 4.527 0.000 0.000 0.399 228 F C 0.815 176.513 175.800 -0.169 0.000 0.604 228 F CA 1.271 59.067 58.000 -0.341 0.000 1.106 228 F CB -1.992 36.494 39.000 -0.857 0.000 1.643 228 F HN 0.288 nan 8.300 nan 0.000 0.290 229 D N 0.646 121.061 120.400 0.025 0.000 2.372 229 D HA 0.422 5.062 4.640 0.000 0.000 0.243 229 D C 1.438 177.753 176.300 0.025 0.000 1.121 229 D CA 0.761 54.785 54.000 0.040 0.000 0.898 229 D CB 1.286 42.102 40.800 0.028 0.000 1.202 229 D HN 0.167 nan 8.370 nan 0.000 0.428 230 G N 0.868 109.690 108.800 0.036 0.000 2.471 230 G HA2 -0.185 3.776 3.960 0.000 0.000 0.219 230 G HA3 -0.185 3.776 3.960 0.000 0.000 0.219 230 G C 1.205 176.114 174.900 0.015 0.000 1.125 230 G CA 1.172 46.289 45.100 0.029 0.000 0.775 230 G HN 0.608 nan 8.290 nan 0.000 0.548 231 T N -1.169 113.391 114.554 0.010 0.000 3.105 231 T HA 0.220 4.570 4.350 0.000 0.000 0.253 231 T C 1.035 175.734 174.700 -0.002 0.000 1.047 231 T CA -0.601 61.501 62.100 0.004 0.000 0.944 231 T CB -0.112 68.759 68.868 0.004 0.000 1.016 231 T HN 0.484 nan 8.240 nan 0.000 0.544 232 R N 1.783 122.278 120.500 -0.009 0.000 2.640 232 R HA 0.185 4.525 4.340 0.000 0.000 0.270 232 R C -0.332 175.956 176.300 -0.019 0.000 1.024 232 R CA 0.415 56.502 56.100 -0.022 0.000 1.085 232 R CB 0.139 30.410 30.300 -0.047 0.000 0.963 232 R HN 0.346 nan 8.270 nan 0.000 0.426 233 D N 1.004 121.390 120.400 -0.024 0.000 2.760 233 D HA 0.229 4.869 4.640 0.000 0.000 0.314 233 D C 0.038 176.313 176.300 -0.042 0.000 1.464 233 D CA 0.040 54.026 54.000 -0.024 0.000 0.797 233 D CB 0.507 41.294 40.800 -0.021 0.000 1.149 233 D HN 0.893 nan 8.370 nan 0.000 0.455 234 G N 0.513 109.288 108.800 -0.041 0.000 2.362 234 G HA2 0.229 4.189 3.960 0.000 0.000 0.656 234 G HA3 0.229 4.189 3.960 0.000 0.000 0.656 234 G C -0.584 174.282 174.900 -0.057 0.000 1.376 234 G CA -0.701 44.356 45.100 -0.070 0.000 0.971 234 G HN 0.257 nan 8.290 nan 0.000 0.636 235 F N -0.480 119.414 119.950 -0.095 0.000 2.368 235 F HA 0.818 5.345 4.527 0.000 0.000 0.308 235 F C 0.268 176.002 175.800 -0.110 0.000 1.198 235 F CA -1.378 56.557 58.000 -0.109 0.000 1.130 235 F CB 0.972 39.917 39.000 -0.092 0.000 1.300 235 F HN 0.405 nan 8.300 nan 0.000 0.537 236 V N 3.242 123.292 119.914 0.228 0.000 2.384 236 V HA 0.249 4.369 4.120 0.000 0.000 0.287 236 V C -0.324 175.903 176.094 0.221 0.000 1.020 236 V CA -0.875 61.474 62.300 0.081 0.000 0.850 236 V CB 1.156 32.999 31.823 0.033 0.000 0.987 236 V HN 0.811 nan 8.190 nan 0.000 0.436 237 L N 5.669 126.953 121.223 0.101 0.000 2.499 237 L HA 0.556 4.896 4.340 0.000 0.000 0.273 237 L C 0.335 177.238 176.870 0.055 0.000 1.195 237 L CA 1.029 55.949 54.840 0.133 0.000 0.882 237 L CB 0.414 42.522 42.059 0.082 0.000 1.133 237 L HN 0.836 nan 8.230 nan 0.000 0.483 238 A N 4.613 127.459 122.820 0.044 0.000 2.566 238 A HA 0.769 5.089 4.320 0.000 0.000 0.292 238 A C -1.085 176.504 177.584 0.009 0.000 1.112 238 A CA -0.541 51.508 52.037 0.020 0.000 0.707 238 A CB 1.255 20.284 19.000 0.048 0.000 1.302 238 A HN 0.775 nan 8.150 nan 0.000 0.409 239 E N -0.286 119.927 120.200 0.021 0.000 2.316 239 E HA 0.832 5.182 4.350 0.000 0.000 0.258 239 E C 0.033 176.674 176.600 0.067 0.000 0.952 239 E CA -0.738 55.658 56.400 -0.007 0.000 0.818 239 E CB 2.059 31.740 29.700 -0.031 0.000 1.260 239 E HN 1.859 nan 8.360 nan 0.000 0.416 240 G N -0.965 107.870 108.800 0.058 0.000 2.352 240 G HA2 0.495 4.455 3.960 0.000 0.000 0.302 240 G HA3 0.495 4.455 3.960 0.000 0.000 0.302 240 G C -1.756 173.245 174.900 0.169 0.000 1.370 240 G CA -0.365 44.859 45.100 0.206 0.000 0.918 240 G HN 0.996 nan 8.290 nan 0.000 0.610 241 A N -1.244 121.662 122.820 0.145 0.000 2.608 241 A HA 1.162 5.482 4.320 0.000 0.000 0.292 241 A C -0.452 177.093 177.584 -0.066 0.000 1.066 241 A CA 0.295 52.370 52.037 0.064 0.000 0.676 241 A CB 1.151 20.244 19.000 0.156 0.000 1.277 241 A HN 2.707 nan 8.150 nan 0.000 0.413 242 A N 0.328 123.083 122.820 -0.107 0.000 2.566 242 A HA 0.840 5.160 4.320 0.000 0.000 0.297 242 A C -1.257 176.112 177.584 -0.358 0.000 1.059 242 A CA -0.293 51.577 52.037 -0.278 0.000 0.691 242 A CB 1.524 20.359 19.000 -0.275 0.000 1.282 242 A HN 1.570 nan 8.150 nan 0.000 0.401 243 M N 1.074 120.328 119.600 -0.578 0.000 2.501 243 M HA 0.847 5.327 4.480 0.000 0.000 0.293 243 M C -1.926 173.913 176.300 -0.768 0.000 1.192 243 M CA -0.659 54.370 55.300 -0.450 0.000 0.886 243 M CB 1.616 34.144 32.600 -0.122 0.000 1.710 243 M HN 0.573 nan 8.290 nan 0.000 0.457 244 F N 1.511 121.439 119.950 -0.037 0.000 2.588 244 F HA 0.773 5.300 4.527 0.000 0.000 0.314 244 F C -0.529 175.142 175.800 -0.214 0.000 1.069 244 F CA -1.139 56.799 58.000 -0.103 0.000 0.931 244 F CB 1.532 40.473 39.000 -0.099 0.000 1.260 244 F HN 0.149 nan 8.300 nan 0.000 0.465 245 V N 3.944 123.802 119.914 -0.093 0.000 2.370 245 V HA 0.443 4.563 4.120 0.000 0.000 0.279 245 V C -0.243 175.731 176.094 -0.200 0.000 1.029 245 V CA -0.584 61.477 62.300 -0.397 0.000 0.870 245 V CB 1.116 32.692 31.823 -0.412 0.000 0.984 245 V HN 0.497 nan 8.190 nan 0.000 0.451 246 L N 5.744 126.828 121.223 -0.232 0.000 2.346 246 L HA 0.818 5.158 4.340 0.000 0.000 0.274 246 L C -0.139 176.658 176.870 -0.121 0.000 1.007 246 L CA -0.509 54.255 54.840 -0.126 0.000 0.818 246 L CB 1.985 43.984 42.059 -0.101 0.000 1.284 246 L HN 0.787 nan 8.230 nan 0.000 0.424 247 E N -0.266 119.899 120.200 -0.057 0.000 2.447 247 E HA 0.237 4.587 4.350 0.000 0.000 0.279 247 E C -1.741 174.869 176.600 0.017 0.000 1.053 247 E CA -1.035 55.347 56.400 -0.030 0.000 0.840 247 E CB 1.449 31.131 29.700 -0.031 0.000 1.409 247 E HN 0.435 nan 8.360 nan 0.000 0.461 248 D N 0.093 120.509 120.400 0.026 0.000 2.488 248 D HA -0.112 4.528 4.640 0.000 0.000 0.238 248 D C 0.301 176.666 176.300 0.108 0.000 1.138 248 D CA 0.278 54.312 54.000 0.057 0.000 0.873 248 D CB 0.406 41.227 40.800 0.034 0.000 1.183 248 D HN 0.526 nan 8.370 nan 0.000 0.458 249 Y N 3.822 124.112 120.300 -0.015 0.000 2.097 249 Y HA -0.221 4.329 4.550 0.000 0.000 0.282 249 Y C 1.566 177.460 175.900 -0.011 0.000 1.152 249 Y CA 2.045 60.137 58.100 -0.014 0.000 1.136 249 Y CB -0.268 38.184 38.460 -0.013 0.000 0.975 249 Y HN 0.506 nan 8.280 nan 0.000 0.498 250 D N -0.969 119.352 120.400 -0.132 0.000 2.123 250 D HA -0.194 4.446 4.640 0.000 0.000 0.196 250 D C 2.437 178.651 176.300 -0.144 0.000 0.992 250 D CA 1.657 55.520 54.000 -0.230 0.000 0.833 250 D CB -0.593 40.140 40.800 -0.111 0.000 0.954 250 D HN 0.363 nan 8.370 nan 0.000 0.455 251 S N 0.112 115.776 115.700 -0.060 0.000 2.368 251 S HA -0.146 4.324 4.470 0.000 0.000 0.225 251 S C 2.028 176.609 174.600 -0.033 0.000 1.030 251 S CA 1.470 59.650 58.200 -0.033 0.000 0.999 251 S CB -0.109 63.088 63.200 -0.005 0.000 0.844 251 S HN 0.280 nan 8.310 nan 0.000 0.459 252 A N 1.096 123.902 122.820 -0.022 0.000 1.930 252 A HA 0.079 4.400 4.320 0.000 0.000 0.217 252 A C 2.186 179.745 177.584 -0.041 0.000 1.175 252 A CA 1.255 53.290 52.037 -0.005 0.000 0.627 252 A CB -0.679 18.349 19.000 0.048 0.000 0.815 252 A HN 0.561 nan 8.150 nan 0.000 0.443 253 L N -0.805 120.347 121.223 -0.118 0.000 2.027 253 L HA -0.170 4.170 4.340 0.000 0.000 0.206 253 L C 3.137 179.947 176.870 -0.100 0.000 1.074 253 L CA 1.056 55.807 54.840 -0.149 0.000 0.745 253 L CB -0.591 41.282 42.059 -0.309 0.000 0.898 253 L HN 0.421 nan 8.230 nan 0.000 0.433 254 A N 1.064 123.825 122.820 -0.097 0.000 1.917 254 A HA -0.249 4.072 4.320 0.000 0.000 0.219 254 A C 2.285 179.847 177.584 -0.036 0.000 1.182 254 A CA 2.123 54.123 52.037 -0.062 0.000 0.633 254 A CB -0.671 18.297 19.000 -0.053 0.000 0.819 254 A HN 0.575 nan 8.150 nan 0.000 0.448 255 R N -0.906 119.579 120.500 -0.025 0.000 2.313 255 R HA 0.272 4.612 4.340 0.000 0.000 0.199 255 R C 1.038 177.334 176.300 -0.006 0.000 0.958 255 R CA 0.816 56.912 56.100 -0.007 0.000 1.047 255 R CB -0.718 29.587 30.300 0.009 0.000 0.955 255 R HN 0.918 nan 8.270 nan 0.000 0.481 256 G N 0.580 109.369 108.800 -0.019 0.000 2.225 256 G HA2 -0.286 3.674 3.960 0.000 0.000 0.264 256 G HA3 -0.286 3.674 3.960 0.000 0.000 0.264 256 G C 0.179 175.073 174.900 -0.010 0.000 1.060 256 G CA 0.126 45.216 45.100 -0.018 0.000 0.833 256 G HN 0.713 nan 8.290 nan 0.000 0.498 257 A N -0.508 122.309 122.820 -0.006 0.000 2.287 257 A HA 0.785 5.105 4.320 0.000 0.000 0.273 257 A C 0.840 178.413 177.584 -0.019 0.000 1.091 257 A CA 0.140 52.180 52.037 0.005 0.000 0.817 257 A CB 0.433 19.447 19.000 0.023 0.000 1.069 257 A HN 0.877 nan 8.150 nan 0.000 0.492 258 R N 1.014 121.491 120.500 -0.039 0.000 2.216 258 R HA 0.393 4.733 4.340 0.000 0.000 0.332 258 R C -1.154 175.051 176.300 -0.158 0.000 1.056 258 R CA -0.146 55.872 56.100 -0.137 0.000 0.901 258 R CB -0.001 30.163 30.300 -0.226 0.000 1.039 258 R HN 0.629 nan 8.270 nan 0.000 0.456 259 I N 6.306 126.806 120.570 -0.118 0.000 2.256 259 I HA 0.044 4.215 4.170 0.000 0.000 0.294 259 I C 1.191 177.250 176.117 -0.096 0.000 1.127 259 I CA -0.449 60.827 61.300 -0.041 0.000 1.247 259 I CB 0.641 38.671 38.000 0.050 0.000 1.460 259 I HN 0.722 nan 8.210 nan 0.000 0.511 260 H N 4.953 124.022 119.070 -0.002 0.000 2.421 260 H HA 0.077 4.633 4.556 0.000 0.000 0.298 260 H C 0.781 176.089 175.328 -0.035 0.000 1.087 260 H CA 0.954 56.990 56.048 -0.020 0.000 1.330 260 H CB 0.384 30.149 29.762 0.005 0.000 1.388 260 H HN 0.704 nan 8.280 nan 0.000 0.526 261 A N 0.120 122.983 122.820 0.072 0.000 2.522 261 A HA 0.276 4.596 4.320 0.000 0.000 0.294 261 A C -1.246 176.315 177.584 -0.038 0.000 1.001 261 A CA -0.709 51.329 52.037 0.001 0.000 0.642 261 A CB 1.420 20.418 19.000 -0.004 0.000 1.326 261 A HN 0.176 nan 8.150 nan 0.000 0.435 262 E N 0.954 121.105 120.200 -0.081 0.000 2.171 262 E HA 0.597 4.947 4.350 0.000 0.000 0.271 262 E C -1.184 175.351 176.600 -0.108 0.000 0.916 262 E CA -0.623 55.699 56.400 -0.130 0.000 0.774 262 E CB 0.962 30.529 29.700 -0.221 0.000 1.128 262 E HN 0.517 nan 8.360 nan 0.000 0.403 263 I N 4.922 125.428 120.570 -0.105 0.000 2.241 263 I HA -0.006 4.164 4.170 0.000 0.000 0.294 263 I C 1.300 177.378 176.117 -0.065 0.000 1.145 263 I CA -0.029 61.221 61.300 -0.084 0.000 1.261 263 I CB 0.445 38.387 38.000 -0.098 0.000 1.475 263 I HN 0.510 nan 8.210 nan 0.000 0.533 264 S N 2.983 118.647 115.700 -0.060 0.000 2.522 264 S HA 0.174 4.644 4.470 0.000 0.000 0.227 264 S C 0.836 175.427 174.600 -0.015 0.000 0.986 264 S CA 0.081 58.249 58.200 -0.052 0.000 0.929 264 S CB 0.241 63.404 63.200 -0.061 0.000 0.769 264 S HN 0.650 nan 8.310 nan 0.000 0.529 265 G N -0.301 108.506 108.800 0.012 0.000 2.732 265 G HA2 0.526 4.486 3.960 0.000 0.000 0.296 265 G HA3 0.526 4.486 3.960 0.000 0.000 0.296 265 G C -2.158 172.813 174.900 0.118 0.000 1.448 265 G CA -0.788 44.338 45.100 0.043 0.000 0.911 265 G HN 0.324 nan 8.290 nan 0.000 0.528 266 Y N 0.297 120.585 120.300 -0.020 0.000 2.521 266 Y HA 0.746 5.296 4.550 0.000 0.000 0.328 266 Y C -0.965 174.935 175.900 0.000 0.000 1.151 266 Y CA -0.228 57.864 58.100 -0.013 0.000 1.054 266 Y CB 1.611 40.059 38.460 -0.021 0.000 1.338 266 Y HN 1.518 nan 8.280 nan 0.000 0.453 267 A N 3.075 125.279 122.820 -1.026 0.000 2.608 267 A HA 0.777 5.097 4.320 0.000 0.000 0.292 267 A C -1.466 175.687 177.584 -0.719 0.000 1.066 267 A CA -0.212 51.354 52.037 -0.784 0.000 0.676 267 A CB 1.784 20.602 19.000 -0.304 0.000 1.277 267 A HN 0.990 nan 8.150 nan 0.000 0.413 268 T N 0.301 114.617 114.554 -0.396 0.000 2.932 268 T HA 0.726 5.076 4.350 0.000 0.000 0.318 268 T C -1.365 173.314 174.700 -0.036 0.000 1.265 268 T CA -0.578 61.433 62.100 -0.149 0.000 1.036 268 T CB 1.002 69.854 68.868 -0.027 0.000 1.209 268 T HN 0.793 nan 8.240 nan 0.000 0.484 269 R N 1.433 121.945 120.500 0.021 0.000 2.795 269 R HA 0.716 5.056 4.340 0.000 0.000 0.268 269 R C -1.197 175.124 176.300 0.034 0.000 1.041 269 R CA -0.469 55.645 56.100 0.023 0.000 0.927 269 R CB 1.293 31.593 30.300 0.001 0.000 1.235 269 R HN 0.752 nan 8.270 nan 0.000 0.463 270 C N -0.238 119.057 119.300 -0.008 0.000 2.667 270 C HA 0.416 4.876 4.460 0.000 0.000 0.323 270 C C 1.949 176.917 174.990 -0.037 0.000 1.214 270 C CA -0.672 58.304 59.018 -0.070 0.000 1.721 270 C CB 1.581 29.222 27.740 -0.165 0.000 2.275 270 C HN 0.833 nan 8.230 nan 0.000 0.491 271 N N 0.736 119.412 118.700 -0.040 0.000 2.135 271 N HA 0.002 4.742 4.740 0.000 0.000 0.186 271 N C 1.249 176.790 175.510 0.052 0.000 1.027 271 N CA 1.112 54.183 53.050 0.035 0.000 0.849 271 N CB -0.127 38.411 38.487 0.085 0.000 1.002 271 N HN 0.920 nan 8.380 nan 0.000 0.425 272 A N -0.750 122.069 122.820 -0.001 0.000 2.847 272 A HA -0.255 4.065 4.320 0.000 0.000 0.263 272 A C 0.742 178.374 177.584 0.080 0.000 1.391 272 A CA 1.510 53.548 52.037 0.001 0.000 0.866 272 A CB -2.375 16.627 19.000 0.003 0.000 1.057 272 A HN 0.704 nan 8.150 nan 0.000 0.673 273 Y N -0.643 119.638 120.300 -0.030 0.000 2.453 273 Y HA 0.465 5.015 4.550 0.000 0.000 0.273 273 Y C 0.917 176.854 175.900 0.061 0.000 1.130 273 Y CA 1.493 59.599 58.100 0.011 0.000 1.271 273 Y CB 0.398 38.869 38.460 0.018 0.000 1.253 273 Y HN 0.660 nan 8.280 nan 0.000 0.512 274 H N -0.077 118.765 119.070 -0.379 0.000 3.046 274 H HA 0.257 4.813 4.556 0.000 0.000 0.363 274 H C 0.528 175.706 175.328 -0.250 0.000 1.203 274 H CA -0.410 55.359 56.048 -0.464 0.000 1.169 274 H CB 1.717 30.995 29.762 -0.807 0.000 1.851 274 H HN 0.228 nan 8.280 nan 0.000 0.546 275 M N 1.853 121.112 119.600 -0.567 0.000 2.267 275 M HA -0.104 4.376 4.480 0.000 0.000 0.263 275 M C 1.498 177.646 176.300 -0.253 0.000 1.063 275 M CA 2.197 57.290 55.300 -0.344 0.000 1.090 275 M CB -0.964 31.388 32.600 -0.414 0.000 1.392 275 M HN 0.726 nan 8.290 nan 0.000 0.422 276 T N -4.662 109.854 114.554 -0.064 0.000 2.992 276 T HA 0.268 4.618 4.350 0.000 0.000 0.255 276 T C 0.940 175.707 174.700 0.112 0.000 0.938 276 T CA 0.280 62.221 62.100 -0.265 0.000 0.895 276 T CB -0.146 68.285 68.868 -0.728 0.000 1.221 276 T HN 0.261 nan 8.240 nan 0.000 0.512 277 G N 1.310 110.198 108.800 0.146 0.000 2.572 277 G HA2 0.640 4.600 3.960 0.000 0.000 0.261 277 G HA3 0.640 4.600 3.960 0.000 0.000 0.261 277 G C -1.073 173.940 174.900 0.189 0.000 1.197 277 G CA -0.635 44.433 45.100 -0.054 0.000 0.870 277 G HN 0.473 nan 8.290 nan 0.000 0.548 278 L N -0.021 121.322 121.223 0.201 0.000 2.422 278 L HA 0.430 4.770 4.340 0.000 0.000 0.264 278 L C 0.092 176.970 176.870 0.013 0.000 0.984 278 L CA -0.895 53.997 54.840 0.087 0.000 0.819 278 L CB 2.607 44.541 42.059 -0.208 0.000 1.330 278 L HN 0.418 nan 8.230 nan 0.000 0.410 279 K N 0.525 120.816 120.400 -0.182 0.000 2.154 279 K HA 0.415 4.735 4.320 0.000 0.000 0.264 279 K C 0.702 177.296 176.600 -0.009 0.000 1.008 279 K CA -0.027 56.098 56.287 -0.270 0.000 0.937 279 K CB 1.703 33.947 32.500 -0.427 0.000 1.002 279 K HN 0.747 nan 8.250 nan 0.000 0.469 280 A N 2.478 125.281 122.820 -0.028 0.000 2.015 280 A HA -0.181 4.139 4.320 0.000 0.000 0.219 280 A C 1.475 179.058 177.584 -0.001 0.000 1.163 280 A CA 1.975 54.023 52.037 0.019 0.000 0.646 280 A CB -0.596 18.404 19.000 -0.001 0.000 0.806 280 A HN 0.939 nan 8.150 nan 0.000 0.448 281 D N -1.203 119.178 120.400 -0.032 0.000 2.144 281 D HA 0.142 4.782 4.640 0.000 0.000 0.199 281 D C 1.350 177.601 176.300 -0.082 0.000 0.984 281 D CA 1.091 55.061 54.000 -0.051 0.000 0.834 281 D CB -0.751 40.015 40.800 -0.056 0.000 0.955 281 D HN 0.819 nan 8.370 nan 0.000 0.465 282 G N 0.685 109.445 108.800 -0.067 0.000 2.273 282 G HA2 -0.430 3.530 3.960 0.000 0.000 0.280 282 G HA3 -0.430 3.530 3.960 0.000 0.000 0.280 282 G C 0.827 175.660 174.900 -0.112 0.000 1.047 282 G CA 0.511 45.478 45.100 -0.222 0.000 0.869 282 G HN 0.490 nan 8.290 nan 0.000 0.502 283 R N -0.095 120.380 120.500 -0.042 0.000 2.082 283 R HA -0.138 4.202 4.340 0.000 0.000 0.234 283 R C 2.328 178.619 176.300 -0.014 0.000 1.136 283 R CA 2.230 58.312 56.100 -0.031 0.000 0.935 283 R CB -0.220 30.064 30.300 -0.026 0.000 0.842 283 R HN 0.470 nan 8.270 nan 0.000 0.430 284 E N 0.474 120.681 120.200 0.013 0.000 2.077 284 E HA -0.219 4.131 4.350 0.000 0.000 0.193 284 E C 1.867 178.479 176.600 0.019 0.000 0.989 284 E CA 1.793 58.205 56.400 0.021 0.000 0.800 284 E CB -0.283 29.441 29.700 0.040 0.000 0.746 284 E HN 0.382 nan 8.360 nan 0.000 0.452 285 M N 0.004 119.620 119.600 0.027 0.000 2.175 285 M HA -0.119 4.361 4.480 0.000 0.000 0.264 285 M C 2.061 178.349 176.300 -0.020 0.000 1.063 285 M CA 1.695 56.998 55.300 0.005 0.000 1.119 285 M CB -0.010 32.572 32.600 -0.029 0.000 1.377 285 M HN 0.179 nan 8.290 nan 0.000 0.415 286 A N 0.339 123.134 122.820 -0.042 0.000 1.865 286 A HA -0.258 4.062 4.320 0.000 0.000 0.217 286 A C 1.858 179.440 177.584 -0.005 0.000 1.191 286 A CA 2.242 54.267 52.037 -0.021 0.000 0.623 286 A CB -1.005 17.977 19.000 -0.031 0.000 0.826 286 A HN 0.649 nan 8.150 nan 0.000 0.444 287 E N -0.297 119.897 120.200 -0.010 0.000 2.118 287 E HA -0.147 4.203 4.350 0.000 0.000 0.195 287 E C 1.961 178.551 176.600 -0.016 0.000 0.992 287 E CA 2.144 58.537 56.400 -0.010 0.000 0.804 287 E CB -0.632 29.062 29.700 -0.011 0.000 0.741 287 E HN 0.534 nan 8.360 nan 0.000 0.458 288 T N 0.535 115.080 114.554 -0.016 0.000 2.708 288 T HA -0.105 4.245 4.350 0.000 0.000 0.266 288 T C 1.883 176.565 174.700 -0.030 0.000 1.037 288 T CA 1.537 63.616 62.100 -0.035 0.000 1.146 288 T CB -0.277 68.574 68.868 -0.028 0.000 0.865 288 T HN 0.180 nan 8.240 nan 0.000 0.435 289 I N 0.620 121.192 120.570 0.003 0.000 2.226 289 I HA -0.163 4.007 4.170 0.000 0.000 0.245 289 I C 2.834 178.954 176.117 0.006 0.000 1.100 289 I CA 1.179 62.492 61.300 0.021 0.000 1.374 289 I CB -0.388 37.652 38.000 0.068 0.000 1.057 289 I HN 0.135 nan 8.210 nan 0.000 0.413 290 R N 0.983 121.484 120.500 0.002 0.000 2.080 290 R HA -0.166 4.174 4.340 0.000 0.000 0.236 290 R C 2.326 178.617 176.300 -0.015 0.000 1.137 290 R CA 1.901 57.999 56.100 -0.004 0.000 0.943 290 R CB -0.261 30.037 30.300 -0.005 0.000 0.846 290 R HN 0.164 nan 8.270 nan 0.000 0.431 291 V N 1.155 121.054 119.914 -0.025 0.000 2.295 291 V HA -0.240 3.880 4.120 0.000 0.000 0.246 291 V C 2.556 178.626 176.094 -0.040 0.000 1.049 291 V CA 1.943 64.222 62.300 -0.035 0.000 1.024 291 V CB -0.868 30.925 31.823 -0.050 0.000 0.648 291 V HN 0.561 nan 8.190 nan 0.000 0.447 292 A N -0.224 122.567 122.820 -0.049 0.000 1.908 292 A HA -0.172 4.149 4.320 0.000 0.000 0.218 292 A C 2.225 179.798 177.584 -0.018 0.000 1.181 292 A CA 1.882 53.894 52.037 -0.041 0.000 0.627 292 A CB -0.563 18.413 19.000 -0.040 0.000 0.818 292 A HN 0.512 nan 8.150 nan 0.000 0.445 293 L N -0.576 120.638 121.223 -0.015 0.000 2.093 293 L HA -0.176 4.164 4.340 0.000 0.000 0.208 293 L C 2.476 179.336 176.870 -0.016 0.000 1.085 293 L CA 1.577 56.409 54.840 -0.013 0.000 0.755 293 L CB -0.528 41.526 42.059 -0.010 0.000 0.904 293 L HN 0.495 nan 8.230 nan 0.000 0.435 294 D N 0.235 120.625 120.400 -0.016 0.000 2.117 294 D HA -0.253 4.387 4.640 0.000 0.000 0.197 294 D C 1.972 178.264 176.300 -0.013 0.000 0.987 294 D CA 1.368 55.359 54.000 -0.015 0.000 0.829 294 D CB 0.218 41.010 40.800 -0.015 0.000 0.961 294 D HN 0.382 nan 8.370 nan 0.000 0.460 295 E N 0.046 120.239 120.200 -0.012 0.000 2.047 295 E HA -0.146 4.204 4.350 0.000 0.000 0.191 295 E C 1.981 178.575 176.600 -0.010 0.000 0.987 295 E CA 0.872 57.268 56.400 -0.007 0.000 0.799 295 E CB -0.133 29.568 29.700 0.000 0.000 0.752 295 E HN 0.058 nan 8.360 nan 0.000 0.449 296 S N -0.276 115.416 115.700 -0.012 0.000 2.469 296 S HA -0.151 4.319 4.470 0.000 0.000 0.238 296 S C 0.892 175.478 174.600 -0.023 0.000 0.998 296 S CA 1.392 59.581 58.200 -0.019 0.000 0.957 296 S CB -0.306 62.883 63.200 -0.018 0.000 0.764 296 S HN 0.356 nan 8.310 nan 0.000 0.514 297 R N -0.291 120.197 120.500 -0.020 0.000 3.977 297 R HA -0.129 4.211 4.340 0.000 0.000 0.428 297 R C -0.160 176.125 176.300 -0.025 0.000 1.079 297 R CA 1.241 57.328 56.100 -0.021 0.000 1.269 297 R CB -2.871 27.417 30.300 -0.020 0.000 1.856 297 R HN 0.639 nan 8.270 nan 0.000 0.551 298 T N -0.991 113.547 114.554 -0.027 0.000 2.817 298 T HA 0.313 4.663 4.350 0.000 0.000 0.293 298 T C 0.188 174.864 174.700 -0.040 0.000 0.964 298 T CA -0.958 61.123 62.100 -0.032 0.000 1.085 298 T CB 1.681 70.532 68.868 -0.029 0.000 0.921 298 T HN -0.031 nan 8.240 nan 0.000 0.502 299 D N 1.839 122.206 120.400 -0.054 0.000 2.382 299 D HA 0.259 4.899 4.640 0.000 0.000 0.240 299 D C 1.487 177.725 176.300 -0.103 0.000 1.146 299 D CA -0.094 53.861 54.000 -0.075 0.000 0.897 299 D CB 1.186 41.932 40.800 -0.090 0.000 1.197 299 D HN 0.716 nan 8.370 nan 0.000 0.432 300 A N 1.752 124.507 122.820 -0.108 0.000 1.917 300 A HA -0.219 4.101 4.320 0.000 0.000 0.219 300 A C 2.041 179.404 177.584 -0.369 0.000 1.182 300 A CA 2.437 54.408 52.037 -0.110 0.000 0.633 300 A CB -1.013 17.959 19.000 -0.048 0.000 0.819 300 A HN 0.715 nan 8.150 nan 0.000 0.448 301 T N -2.600 111.595 114.554 -0.598 0.000 3.025 301 T HA -0.105 4.245 4.350 0.000 0.000 0.270 301 T C 0.977 175.379 174.700 -0.496 0.000 1.126 301 T CA 1.410 62.865 62.100 -1.075 0.000 1.105 301 T CB -0.355 68.210 68.868 -0.504 0.000 0.884 301 T HN 0.416 nan 8.240 nan 0.000 0.522 302 D N 0.803 121.070 120.400 -0.221 0.000 2.289 302 D HA 0.116 4.756 4.640 0.000 0.000 0.207 302 D C 0.667 176.988 176.300 0.034 0.000 0.966 302 D CA 0.104 54.067 54.000 -0.062 0.000 0.868 302 D CB -0.034 40.737 40.800 -0.049 0.000 0.943 302 D HN 0.374 nan 8.370 nan 0.000 0.514 303 I N 2.401 123.025 120.570 0.091 0.000 2.662 303 I HA -0.079 4.091 4.170 0.000 0.000 0.285 303 I C 1.044 177.274 176.117 0.188 0.000 1.161 303 I CA 0.478 61.859 61.300 0.135 0.000 1.415 303 I CB 0.379 38.452 38.000 0.122 0.000 1.385 303 I HN -0.127 nan 8.210 nan 0.000 0.552 304 D N 5.411 125.882 120.400 0.117 0.000 2.367 304 D HA -0.000 4.640 4.640 0.000 0.000 0.207 304 D C -0.110 176.285 176.300 0.160 0.000 1.034 304 D CA 0.751 54.820 54.000 0.116 0.000 0.861 304 D CB 0.640 41.499 40.800 0.099 0.000 0.943 304 D HN 0.537 nan 8.370 nan 0.000 0.515 305 Y N 0.181 120.468 120.300 -0.023 0.000 2.620 305 Y HA 0.372 4.922 4.550 0.000 0.000 0.331 305 Y C -2.272 173.594 175.900 -0.057 0.000 1.173 305 Y CA -1.325 56.749 58.100 -0.043 0.000 1.076 305 Y CB 0.730 39.191 38.460 0.001 0.000 1.336 305 Y HN -0.281 nan 8.280 nan 0.000 0.459 306 I N 5.564 125.695 120.570 -0.731 0.000 2.439 306 I HA 0.273 4.443 4.170 0.000 0.000 0.283 306 I C -0.641 174.897 176.117 -0.965 0.000 1.023 306 I CA -0.777 60.071 61.300 -0.753 0.000 1.100 306 I CB 1.598 39.255 38.000 -0.571 0.000 1.238 306 I HN 0.624 nan 8.210 nan 0.000 0.445 307 N N 6.454 124.658 118.700 -0.827 0.000 2.439 307 N HA 0.325 5.065 4.740 0.000 0.000 0.243 307 N C -0.143 175.347 175.510 -0.032 0.000 1.088 307 N CA -0.062 52.777 53.050 -0.352 0.000 0.940 307 N CB 1.193 39.611 38.487 -0.114 0.000 1.180 307 N HN 0.729 nan 8.380 nan 0.000 0.505 308 A N 2.824 125.717 122.820 0.122 0.000 2.346 308 A HA 0.039 4.359 4.320 0.000 0.000 0.255 308 A C 1.116 178.867 177.584 0.279 0.000 1.113 308 A CA 0.020 52.257 52.037 0.334 0.000 0.798 308 A CB 0.114 19.463 19.000 0.580 0.000 1.073 308 A HN 0.916 nan 8.150 nan 0.000 0.502 309 H N -0.094 119.091 119.070 0.192 0.000 2.276 309 H HA 0.219 4.776 4.556 0.000 0.000 0.307 309 H C 1.488 176.787 175.328 -0.048 0.000 1.061 309 H CA 1.737 57.807 56.048 0.036 0.000 1.336 309 H CB -0.631 29.141 29.762 0.016 0.000 1.396 309 H HN 1.309 nan 8.280 nan 0.000 0.503 310 G N 0.378 109.117 108.800 -0.101 0.000 2.386 310 G HA2 -0.306 3.654 3.960 0.000 0.000 0.295 310 G HA3 -0.306 3.654 3.960 0.000 0.000 0.295 310 G C 1.179 175.791 174.900 -0.479 0.000 0.979 310 G CA 1.025 45.878 45.100 -0.412 0.000 1.193 310 G HN 0.790 nan 8.290 nan 0.000 0.508 311 S N -0.648 114.747 115.700 -0.509 0.000 2.402 311 S HA 0.286 4.756 4.470 0.000 0.000 0.229 311 S C 2.283 176.768 174.600 -0.192 0.000 1.021 311 S CA 1.445 59.369 58.200 -0.460 0.000 0.974 311 S CB 0.030 63.015 63.200 -0.357 0.000 0.800 311 S HN 2.458 nan 8.310 nan 0.000 0.484 312 G N 0.785 109.450 108.800 -0.224 0.000 2.184 312 G HA2 -0.173 3.787 3.960 0.000 0.000 0.206 312 G HA3 -0.173 3.787 3.960 0.000 0.000 0.206 312 G C 0.178 175.034 174.900 -0.072 0.000 0.995 312 G CA 0.133 45.140 45.100 -0.156 0.000 0.651 312 G HN 1.206 nan 8.290 nan 0.000 0.511 313 T N -1.676 112.862 114.554 -0.027 0.000 2.922 313 T HA 0.664 5.014 4.350 0.000 0.000 0.285 313 T C 1.683 176.376 174.700 -0.012 0.000 1.005 313 T CA -0.128 61.987 62.100 0.024 0.000 1.061 313 T CB 1.773 70.709 68.868 0.114 0.000 1.007 313 T HN 0.069 nan 8.240 nan 0.000 0.502 314 R N 1.597 122.101 120.500 0.006 0.000 2.097 314 R HA -0.193 4.147 4.340 0.000 0.000 0.236 314 R C 2.601 178.912 176.300 0.018 0.000 1.135 314 R CA 2.439 58.542 56.100 0.005 0.000 0.934 314 R CB -1.219 29.090 30.300 0.015 0.000 0.846 314 R HN 0.998 nan 8.270 nan 0.000 0.431 315 Q N 0.356 120.179 119.800 0.039 0.000 2.084 315 Q HA -0.131 4.209 4.340 0.000 0.000 0.202 315 Q C 1.940 177.983 176.000 0.071 0.000 0.978 315 Q CA 1.548 57.383 55.803 0.054 0.000 0.844 315 Q CB -0.479 28.293 28.738 0.056 0.000 0.898 315 Q HN 0.318 nan 8.270 nan 0.000 0.426 316 N N 1.347 120.082 118.700 0.058 0.000 2.013 316 N HA -0.203 4.537 4.740 0.000 0.000 0.195 316 N C 1.099 176.651 175.510 0.070 0.000 1.051 316 N CA 2.010 55.107 53.050 0.079 0.000 0.851 316 N CB -0.209 38.323 38.487 0.075 0.000 1.044 316 N HN 0.253 nan 8.380 nan 0.000 0.422 317 D N 0.526 120.872 120.400 -0.091 0.000 2.133 317 D HA -0.203 4.437 4.640 0.000 0.000 0.195 317 D C 2.022 178.371 176.300 0.081 0.000 0.997 317 D CA 0.924 54.800 54.000 -0.207 0.000 0.840 317 D CB -0.468 40.011 40.800 -0.534 0.000 0.947 317 D HN 0.445 nan 8.370 nan 0.000 0.452 318 R N -0.064 120.481 120.500 0.073 0.000 2.115 318 R HA -0.153 4.188 4.340 0.000 0.000 0.230 318 R C 2.361 178.714 176.300 0.089 0.000 1.111 318 R CA 1.060 57.220 56.100 0.101 0.000 0.976 318 R CB -0.260 30.084 30.300 0.074 0.000 0.870 318 R HN 0.369 nan 8.270 nan 0.000 0.445 319 H N 1.491 120.561 119.070 -0.000 0.000 2.270 319 H HA -0.163 4.394 4.556 0.000 0.000 0.299 319 H C 1.622 176.898 175.328 -0.087 0.000 1.077 319 H CA 2.230 58.260 56.048 -0.031 0.000 1.294 319 H CB -0.111 29.640 29.762 -0.019 0.000 1.371 319 H HN 0.544 nan 8.280 nan 0.000 0.491 320 E N 0.055 120.093 120.200 -0.269 0.000 2.106 320 E HA -0.108 4.242 4.350 0.000 0.000 0.192 320 E C 2.105 178.302 176.600 -0.672 0.000 0.984 320 E CA 1.440 57.492 56.400 -0.580 0.000 0.806 320 E CB -0.470 29.011 29.700 -0.367 0.000 0.750 320 E HN 0.315 nan 8.360 nan 0.000 0.458 321 T N 1.402 115.848 114.554 -0.180 0.000 2.699 321 T HA -0.205 4.145 4.350 0.000 0.000 0.268 321 T C 2.047 176.712 174.700 -0.058 0.000 1.036 321 T CA 1.889 64.008 62.100 0.031 0.000 1.147 321 T CB -0.376 68.624 68.868 0.221 0.000 0.862 321 T HN 0.444 nan 8.240 nan 0.000 0.446 322 A N 1.255 124.006 122.820 -0.115 0.000 1.933 322 A HA 0.184 4.504 4.320 0.000 0.000 0.218 322 A C 2.646 180.140 177.584 -0.150 0.000 1.175 322 A CA 1.792 53.768 52.037 -0.102 0.000 0.628 322 A CB -1.041 17.898 19.000 -0.101 0.000 0.814 322 A HN 0.521 nan 8.150 nan 0.000 0.444 323 A N -1.197 121.437 122.820 -0.310 0.000 1.933 323 A HA -0.038 4.282 4.320 0.000 0.000 0.218 323 A C 2.062 179.590 177.584 -0.093 0.000 1.175 323 A CA 1.561 53.435 52.037 -0.272 0.000 0.628 323 A CB -0.723 18.016 19.000 -0.435 0.000 0.814 323 A HN 0.552 nan 8.150 nan 0.000 0.444 324 Y N 0.306 120.585 120.300 -0.035 0.000 2.163 324 Y HA -0.106 4.444 4.550 0.000 0.000 0.288 324 Y C 2.289 178.179 175.900 -0.016 0.000 1.136 324 Y CA 1.245 59.335 58.100 -0.017 0.000 1.147 324 Y CB -0.670 37.785 38.460 -0.010 0.000 0.987 324 Y HN 0.266 nan 8.280 nan 0.000 0.509 325 K N -0.053 120.432 120.400 0.141 0.000 2.209 325 K HA -0.169 4.151 4.320 0.000 0.000 0.204 325 K C 2.238 178.865 176.600 0.046 0.000 1.048 325 K CA 1.140 57.471 56.287 0.074 0.000 0.940 325 K CB -0.110 32.418 32.500 0.047 0.000 0.729 325 K HN 0.201 nan 8.250 nan 0.000 0.451 326 R N 0.344 120.862 120.500 0.030 0.000 2.119 326 R HA -0.006 4.334 4.340 0.000 0.000 0.222 326 R C 1.923 178.237 176.300 0.023 0.000 1.088 326 R CA 1.053 57.159 56.100 0.011 0.000 0.984 326 R CB 0.102 30.391 30.300 -0.018 0.000 0.884 326 R HN 0.146 nan 8.270 nan 0.000 0.447 327 A N -0.030 122.819 122.820 0.047 0.000 1.973 327 A HA 0.165 4.485 4.320 0.000 0.000 0.210 327 A C 1.740 179.359 177.584 0.058 0.000 1.200 327 A CA 0.214 52.281 52.037 0.050 0.000 0.707 327 A CB 0.128 19.166 19.000 0.065 0.000 0.862 327 A HN 0.264 nan 8.150 nan 0.000 0.461 328 L N -0.872 120.401 121.223 0.084 0.000 2.585 328 L HA 0.275 4.615 4.340 0.000 0.000 0.226 328 L C 1.740 178.663 176.870 0.089 0.000 1.113 328 L CA 0.293 55.190 54.840 0.096 0.000 0.876 328 L CB -0.786 41.342 42.059 0.114 0.000 1.072 328 L HN 0.568 nan 8.230 nan 0.000 0.468 329 G N 1.664 110.501 108.800 0.062 0.000 2.611 329 G HA2 -0.476 3.484 3.960 0.000 0.000 0.301 329 G HA3 -0.476 3.484 3.960 0.000 0.000 0.301 329 G C 0.785 175.715 174.900 0.050 0.000 1.233 329 G CA 0.914 46.042 45.100 0.047 0.000 0.993 329 G HN 0.336 nan 8.290 nan 0.000 0.553 330 E N -0.496 119.733 120.200 0.049 0.000 2.153 330 E HA -0.095 4.256 4.350 0.000 0.000 0.194 330 E C 2.089 178.722 176.600 0.056 0.000 0.988 330 E CA 2.117 58.541 56.400 0.040 0.000 0.811 330 E CB -0.472 29.249 29.700 0.035 0.000 0.746 330 E HN 0.727 nan 8.360 nan 0.000 0.466 331 H N -0.410 118.647 119.070 -0.021 0.000 2.457 331 H HA 0.027 4.583 4.556 0.000 0.000 0.297 331 H C 1.672 176.972 175.328 -0.047 0.000 1.092 331 H CA 1.585 57.614 56.048 -0.032 0.000 1.309 331 H CB -0.281 29.463 29.762 -0.029 0.000 1.382 331 H HN 0.241 nan 8.280 nan 0.000 0.535 332 A N 0.590 123.383 122.820 -0.046 0.000 1.978 332 A HA -0.179 4.141 4.320 0.000 0.000 0.220 332 A C 2.349 179.835 177.584 -0.163 0.000 1.170 332 A CA 1.669 53.642 52.037 -0.106 0.000 0.636 332 A CB -0.336 18.672 19.000 0.013 0.000 0.810 332 A HN 0.500 nan 8.150 nan 0.000 0.448 333 R N -0.657 119.769 120.500 -0.123 0.000 2.240 333 R HA 0.008 4.349 4.340 0.000 0.000 0.203 333 R C 0.887 177.089 176.300 -0.163 0.000 1.011 333 R CA 1.043 57.064 56.100 -0.132 0.000 1.007 333 R CB 0.009 30.262 30.300 -0.077 0.000 0.911 333 R HN 0.674 nan 8.270 nan 0.000 0.468 334 R N -0.025 120.355 120.500 -0.201 0.000 2.816 334 R HA 0.268 4.608 4.340 0.000 0.000 0.382 334 R C -1.047 175.068 176.300 -0.308 0.000 1.140 334 R CA -0.215 55.767 56.100 -0.197 0.000 1.050 334 R CB 0.699 30.935 30.300 -0.108 0.000 1.396 334 R HN -0.232 nan 8.270 nan 0.000 0.583 335 T N 1.831 116.186 114.554 -0.333 0.000 2.971 335 T HA 0.358 4.708 4.350 0.000 0.000 0.304 335 T C -2.877 171.701 174.700 -0.205 0.000 1.038 335 T CA -1.521 60.389 62.100 -0.316 0.000 1.007 335 T CB 2.556 71.141 68.868 -0.471 0.000 1.055 335 T HN 0.018 nan 8.240 nan 0.000 0.451 336 P HA 0.383 nan 4.420 nan 0.000 0.268 336 P C -1.087 176.256 177.300 0.071 0.000 1.204 336 P CA -0.357 62.736 63.100 -0.012 0.000 0.768 336 P CB 0.557 32.287 31.700 0.050 0.000 0.842 337 V N 2.446 122.361 119.914 0.001 0.000 2.709 337 V HA 0.727 4.847 4.120 0.000 0.000 0.308 337 V C -0.252 175.959 176.094 0.194 0.000 1.062 337 V CA -0.428 61.882 62.300 0.017 0.000 0.901 337 V CB 2.064 33.789 31.823 -0.164 0.000 1.003 337 V HN 0.762 nan 8.190 nan 0.000 0.425 338 S N 1.895 117.791 115.700 0.328 0.000 2.552 338 S HA 0.654 5.124 4.470 0.000 0.000 0.272 338 S C -0.987 173.826 174.600 0.356 0.000 1.150 338 S CA -0.550 57.860 58.200 0.350 0.000 0.849 338 S CB 1.950 65.323 63.200 0.289 0.000 1.113 338 S HN 0.972 nan 8.310 nan 0.000 0.458 339 S N 1.617 117.516 115.700 0.333 0.000 2.498 339 S HA 0.412 4.882 4.470 0.000 0.000 0.324 339 S C 1.151 175.831 174.600 0.133 0.000 1.071 339 S CA -0.860 57.471 58.200 0.219 0.000 1.113 339 S CB -0.218 63.078 63.200 0.160 0.000 0.976 339 S HN 0.980 nan 8.310 nan 0.000 0.462 340 I N 2.875 123.518 120.570 0.122 0.000 2.756 340 I HA 0.022 4.192 4.170 0.000 0.000 0.262 340 I C 1.694 177.848 176.117 0.061 0.000 1.225 340 I CA 0.751 62.107 61.300 0.094 0.000 1.472 340 I CB -0.230 37.853 38.000 0.138 0.000 1.094 340 I HN 0.506 nan 8.210 nan 0.000 0.454 341 K N 1.856 122.264 120.400 0.014 0.000 2.280 341 K HA -0.106 4.214 4.320 0.000 0.000 0.202 341 K C 2.301 178.898 176.600 -0.006 0.000 1.047 341 K CA 1.557 57.826 56.287 -0.029 0.000 0.942 341 K CB -0.218 32.183 32.500 -0.165 0.000 0.739 341 K HN 0.635 nan 8.250 nan 0.000 0.457 342 S N 0.286 115.991 115.700 0.008 0.000 2.447 342 S HA -0.098 4.373 4.470 0.000 0.000 0.233 342 S C 1.835 176.446 174.600 0.019 0.000 1.006 342 S CA 0.962 59.173 58.200 0.018 0.000 0.957 342 S CB -0.073 63.153 63.200 0.043 0.000 0.773 342 S HN 0.230 nan 8.310 nan 0.000 0.507 343 M N 0.635 120.248 119.600 0.022 0.000 2.740 343 M HA 0.220 4.700 4.480 0.000 0.000 0.253 343 M C 1.681 178.004 176.300 0.038 0.000 1.341 343 M CA 0.518 55.827 55.300 0.015 0.000 1.176 343 M CB 0.602 33.200 32.600 -0.005 0.000 1.310 343 M HN 0.320 nan 8.290 nan 0.000 0.531 344 V N -2.381 117.575 119.914 0.071 0.000 3.578 344 V HA 0.591 4.711 4.120 0.000 0.000 0.290 344 V C 0.801 176.944 176.094 0.081 0.000 1.376 344 V CA 0.141 62.505 62.300 0.105 0.000 1.083 344 V CB -1.072 30.869 31.823 0.197 0.000 0.911 344 V HN 0.553 nan 8.190 nan 0.000 0.433 345 G N 0.916 109.750 108.800 0.057 0.000 2.782 345 G HA2 -0.239 3.721 3.960 0.000 0.000 0.228 345 G HA3 -0.239 3.721 3.960 0.000 0.000 0.228 345 G C -0.541 174.407 174.900 0.081 0.000 1.372 345 G CA 0.240 45.379 45.100 0.065 0.000 0.862 345 G HN 1.100 nan 8.290 nan 0.000 0.547 346 H N 0.738 119.773 119.070 -0.058 0.000 2.690 346 H HA 0.593 5.149 4.556 0.000 0.000 0.280 346 H C 1.457 176.690 175.328 -0.159 0.000 1.138 346 H CA -0.145 55.782 56.048 -0.201 0.000 1.241 346 H CB 0.324 29.790 29.762 -0.493 0.000 1.394 346 H HN 0.826 nan 8.280 nan 0.000 0.489 347 S N 5.214 120.979 115.700 0.109 0.000 2.763 347 S HA 0.158 4.628 4.470 0.000 0.000 0.237 347 S C 1.279 175.825 174.600 -0.090 0.000 0.966 347 S CA -0.124 58.071 58.200 -0.009 0.000 1.017 347 S CB -0.755 62.465 63.200 0.033 0.000 0.780 347 S HN 0.720 nan 8.310 nan 0.000 0.476 348 L N -0.403 120.626 121.223 -0.323 0.000 4.438 348 L HA -0.351 3.989 4.340 0.000 0.000 0.053 348 L C 2.226 179.065 176.870 -0.051 0.000 3.682 348 L CA 1.614 56.239 54.840 -0.358 0.000 1.233 348 L CB -2.087 39.803 42.059 -0.281 0.000 3.182 348 L HN 0.487 nan 8.230 nan 0.000 0.885 349 G N -1.455 107.313 108.800 -0.054 0.000 2.511 349 G HA2 0.198 4.158 3.960 0.000 0.000 0.217 349 G HA3 0.198 4.158 3.960 0.000 0.000 0.217 349 G C 1.405 176.311 174.900 0.011 0.000 1.133 349 G CA 1.224 46.313 45.100 -0.018 0.000 0.792 349 G HN 0.800 nan 8.290 nan 0.000 0.539 350 A N 0.660 123.485 122.820 0.008 0.000 1.930 350 A HA 0.177 4.497 4.320 0.000 0.000 0.215 350 A C 2.212 179.839 177.584 0.071 0.000 1.176 350 A CA 0.993 53.047 52.037 0.029 0.000 0.632 350 A CB -0.272 18.733 19.000 0.009 0.000 0.819 350 A HN 0.292 nan 8.150 nan 0.000 0.445 351 I N 0.792 121.419 120.570 0.094 0.000 2.185 351 I HA -0.236 3.934 4.170 0.000 0.000 0.246 351 I C 2.337 178.535 176.117 0.135 0.000 1.088 351 I CA 1.644 63.017 61.300 0.122 0.000 1.347 351 I CB -0.749 37.334 38.000 0.137 0.000 1.041 351 I HN 0.255 nan 8.210 nan 0.000 0.415 352 G N -1.223 107.657 108.800 0.134 0.000 2.469 352 G HA2 -0.275 3.686 3.960 0.000 0.000 0.220 352 G HA3 -0.275 3.686 3.960 0.000 0.000 0.220 352 G C 1.736 176.731 174.900 0.159 0.000 1.136 352 G CA 1.081 46.264 45.100 0.139 0.000 0.759 352 G HN 0.478 nan 8.290 nan 0.000 0.562 353 S N 0.080 115.886 115.700 0.176 0.000 2.371 353 S HA 0.047 4.518 4.470 0.000 0.000 0.224 353 S C 2.249 177.047 174.600 0.330 0.000 1.029 353 S CA 0.338 58.717 58.200 0.297 0.000 0.978 353 S CB -0.128 63.230 63.200 0.263 0.000 0.833 353 S HN 0.148 nan 8.310 nan 0.000 0.466 354 L N 1.917 123.258 121.223 0.196 0.000 2.083 354 L HA -0.065 4.275 4.340 0.000 0.000 0.209 354 L C 2.284 179.375 176.870 0.367 0.000 1.083 354 L CA 1.703 56.655 54.840 0.186 0.000 0.752 354 L CB -1.432 40.710 42.059 0.138 0.000 0.899 354 L HN 0.422 nan 8.230 nan 0.000 0.433 355 E N -0.225 120.150 120.200 0.293 0.000 2.106 355 E HA -0.188 4.162 4.350 0.000 0.000 0.192 355 E C 2.333 179.088 176.600 0.258 0.000 0.984 355 E CA 0.850 57.415 56.400 0.275 0.000 0.806 355 E CB -0.011 29.805 29.700 0.193 0.000 0.750 355 E HN 0.443 nan 8.360 nan 0.000 0.458 356 I N 1.191 121.890 120.570 0.216 0.000 2.179 356 I HA -0.270 3.900 4.170 0.000 0.000 0.242 356 I C 2.569 178.813 176.117 0.212 0.000 1.088 356 I CA 0.966 62.319 61.300 0.088 0.000 1.357 356 I CB -0.293 37.599 38.000 -0.181 0.000 1.051 356 I HN 0.076 nan 8.210 nan 0.000 0.409 357 A N 0.704 123.824 122.820 0.500 0.000 1.940 357 A HA -0.214 4.106 4.320 0.000 0.000 0.219 357 A C 2.521 180.373 177.584 0.447 0.000 1.176 357 A CA 1.993 54.360 52.037 0.550 0.000 0.631 357 A CB -0.853 18.403 19.000 0.426 0.000 0.814 357 A HN 0.454 nan 8.150 nan 0.000 0.446 358 A N -1.109 122.020 122.820 0.516 0.000 1.902 358 A HA -0.158 4.162 4.320 0.000 0.000 0.217 358 A C 2.309 180.083 177.584 0.316 0.000 1.181 358 A CA 1.655 53.967 52.037 0.457 0.000 0.623 358 A CB -1.240 18.021 19.000 0.436 0.000 0.818 358 A HN 0.602 nan 8.150 nan 0.000 0.443 359 C N -1.261 118.203 119.300 0.274 0.000 2.429 359 C HA -0.052 4.408 4.460 0.000 0.000 0.277 359 C C 2.742 177.798 174.990 0.110 0.000 1.262 359 C CA 1.007 60.159 59.018 0.223 0.000 1.733 359 C CB -1.210 26.623 27.740 0.155 0.000 2.010 359 C HN 0.462 nan 8.230 nan 0.000 0.483 360 V N 0.996 120.960 119.914 0.083 0.000 2.343 360 V HA -0.230 3.890 4.120 0.000 0.000 0.247 360 V C 2.304 178.360 176.094 -0.063 0.000 1.051 360 V CA 1.864 64.184 62.300 0.033 0.000 1.036 360 V CB -0.611 31.256 31.823 0.073 0.000 0.654 360 V HN 0.560 nan 8.190 nan 0.000 0.451 361 L N -0.185 120.951 121.223 -0.145 0.000 2.141 361 L HA -0.114 4.226 4.340 0.000 0.000 0.209 361 L C 2.653 179.069 176.870 -0.756 0.000 1.094 361 L CA 1.325 55.854 54.840 -0.520 0.000 0.763 361 L CB -0.685 40.936 42.059 -0.730 0.000 0.908 361 L HN 0.360 nan 8.230 nan 0.000 0.437 362 A N 0.124 122.707 122.820 -0.396 0.000 1.872 362 A HA -0.130 4.191 4.320 0.000 0.000 0.214 362 A C 2.219 179.777 177.584 -0.042 0.000 1.187 362 A CA 1.077 53.069 52.037 -0.075 0.000 0.614 362 A CB -0.681 18.436 19.000 0.194 0.000 0.826 362 A HN 0.312 nan 8.150 nan 0.000 0.442 363 L N -0.522 120.682 121.223 -0.031 0.000 2.129 363 L HA -0.259 4.081 4.340 0.000 0.000 0.212 363 L C 2.679 179.499 176.870 -0.083 0.000 1.087 363 L CA 2.016 56.842 54.840 -0.023 0.000 0.757 363 L CB -0.339 41.714 42.059 -0.010 0.000 0.896 363 L HN 0.668 nan 8.230 nan 0.000 0.434 364 E N -0.400 119.688 120.200 -0.188 0.000 2.030 364 E HA -0.175 4.175 4.350 0.000 0.000 0.189 364 E C 1.866 178.279 176.600 -0.312 0.000 0.974 364 E CA 0.898 57.120 56.400 -0.297 0.000 0.807 364 E CB -0.010 29.404 29.700 -0.476 0.000 0.771 364 E HN 0.587 nan 8.360 nan 0.000 0.451 365 H N -0.828 118.159 119.070 -0.138 0.000 2.551 365 H HA 0.204 4.761 4.556 0.000 0.000 0.266 365 H C 0.857 176.233 175.328 0.079 0.000 0.977 365 H CA 0.483 56.525 56.048 -0.010 0.000 1.163 365 H CB 0.556 30.348 29.762 0.050 0.000 1.381 365 H HN 0.413 nan 8.280 nan 0.000 0.581 366 G N 0.927 109.806 108.800 0.132 0.000 2.323 366 G HA2 -0.247 3.713 3.960 0.000 0.000 0.292 366 G HA3 -0.247 3.713 3.960 0.000 0.000 0.292 366 G C -0.474 174.514 174.900 0.146 0.000 1.040 366 G CA 0.518 45.684 45.100 0.111 0.000 0.942 366 G HN 0.270 nan 8.290 nan 0.000 0.506 367 V N -0.381 119.679 119.914 0.243 0.000 2.623 367 V HA 0.510 4.630 4.120 0.000 0.000 0.304 367 V C 0.309 176.464 176.094 0.102 0.000 1.054 367 V CA -0.987 61.419 62.300 0.176 0.000 0.882 367 V CB 2.207 34.167 31.823 0.228 0.000 1.002 367 V HN 0.250 nan 8.190 nan 0.000 0.424 368 V N 7.256 127.102 119.914 -0.114 0.000 2.406 368 V HA 0.315 4.435 4.120 0.000 0.000 0.272 368 V C -2.196 173.729 176.094 -0.282 0.000 1.043 368 V CA -1.748 60.340 62.300 -0.354 0.000 0.915 368 V CB 1.610 33.157 31.823 -0.459 0.000 0.988 368 V HN 0.735 nan 8.190 nan 0.000 0.466 369 P HA 0.211 nan 4.420 nan 0.000 0.271 369 P C -2.491 174.737 177.300 -0.119 0.000 1.216 369 P CA -1.034 61.931 63.100 -0.225 0.000 0.776 369 P CB 0.222 31.823 31.700 -0.165 0.000 0.881 370 P HA 0.128 nan 4.420 nan 0.000 0.278 370 P C -0.784 176.535 177.300 0.033 0.000 1.266 370 P CA -0.166 62.917 63.100 -0.028 0.000 0.807 370 P CB 0.637 32.310 31.700 -0.046 0.000 1.094 371 T N 0.833 115.437 114.554 0.084 0.000 2.762 371 T HA 0.472 4.822 4.350 0.000 0.000 0.303 371 T C 0.435 175.188 174.700 0.089 0.000 0.977 371 T CA -0.150 62.027 62.100 0.128 0.000 0.961 371 T CB 0.075 69.080 68.868 0.228 0.000 0.944 371 T HN 0.474 nan 8.240 nan 0.000 0.481 372 A N 3.513 126.369 122.820 0.061 0.000 2.386 372 A HA 0.454 4.774 4.320 0.000 0.000 0.246 372 A C 1.138 178.766 177.584 0.074 0.000 1.089 372 A CA -0.474 51.596 52.037 0.056 0.000 0.790 372 A CB -0.064 18.962 19.000 0.043 0.000 1.042 372 A HN 0.888 nan 8.150 nan 0.000 0.497 373 N N -2.468 116.281 118.700 0.082 0.000 2.857 373 N HA -0.167 4.573 4.740 0.000 0.000 0.242 373 N C -0.271 175.270 175.510 0.052 0.000 0.983 373 N CA 1.225 54.320 53.050 0.076 0.000 0.934 373 N CB -1.373 37.176 38.487 0.103 0.000 1.115 373 N HN 0.603 nan 8.380 nan 0.000 0.593 374 L N 1.842 123.104 121.223 0.065 0.000 2.401 374 L HA 0.163 4.503 4.340 0.000 0.000 0.283 374 L C 1.322 178.225 176.870 0.056 0.000 1.151 374 L CA 0.534 55.421 54.840 0.079 0.000 0.942 374 L CB -0.038 42.096 42.059 0.126 0.000 1.283 374 L HN 0.049 nan 8.230 nan 0.000 0.442 375 R N 0.832 121.353 120.500 0.035 0.000 2.276 375 R HA 0.198 4.539 4.340 0.000 0.000 0.195 375 R C 0.151 176.466 176.300 0.024 0.000 0.908 375 R CA 0.675 56.786 56.100 0.018 0.000 1.083 375 R CB 0.252 30.545 30.300 -0.011 0.000 1.182 375 R HN 0.633 nan 8.270 nan 0.000 0.608 376 T N 0.438 115.010 114.554 0.029 0.000 2.767 376 T HA 0.358 4.708 4.350 0.000 0.000 0.284 376 T C 0.200 174.931 174.700 0.052 0.000 0.973 376 T CA -0.789 61.330 62.100 0.031 0.000 0.996 376 T CB 1.742 70.622 68.868 0.021 0.000 0.927 376 T HN 0.092 nan 8.240 nan 0.000 0.456 377 S N 2.218 117.953 115.700 0.057 0.000 2.584 377 S HA 0.388 4.859 4.470 0.000 0.000 0.273 377 S C -0.522 174.124 174.600 0.076 0.000 1.311 377 S CA -0.809 57.440 58.200 0.082 0.000 1.034 377 S CB 0.947 64.193 63.200 0.077 0.000 0.939 377 S HN 0.845 nan 8.310 nan 0.000 0.513 378 D N 1.771 122.231 120.400 0.100 0.000 2.408 378 D HA 0.468 5.108 4.640 0.000 0.000 0.243 378 D C -1.939 174.420 176.300 0.099 0.000 1.075 378 D CA -2.427 51.625 54.000 0.086 0.000 0.832 378 D CB 1.797 42.646 40.800 0.082 0.000 1.162 378 D HN 0.174 nan 8.370 nan 0.000 0.515 379 P HA -0.147 nan 4.420 nan 0.000 0.216 379 P C 0.550 177.897 177.300 0.078 0.000 1.150 379 P CA 1.231 64.370 63.100 0.066 0.000 0.843 379 P CB 0.289 32.017 31.700 0.046 0.000 0.787 380 E N -1.849 118.399 120.200 0.081 0.000 2.274 380 E HA -0.056 4.294 4.350 0.000 0.000 0.194 380 E C 0.083 176.762 176.600 0.132 0.000 0.996 380 E CA 0.526 56.978 56.400 0.086 0.000 0.840 380 E CB -0.175 29.567 29.700 0.070 0.000 0.772 380 E HN 0.228 nan 8.360 nan 0.000 0.491 381 C N 2.851 122.257 119.300 0.177 0.000 2.566 381 C HA 0.151 4.611 4.460 0.000 0.000 0.300 381 C C 0.465 175.669 174.990 0.356 0.000 1.147 381 C CA -1.057 58.142 59.018 0.301 0.000 1.644 381 C CB -0.583 27.320 27.740 0.273 0.000 1.691 381 C HN 0.345 nan 8.230 nan 0.000 0.440 382 D N 0.697 121.232 120.400 0.225 0.000 2.491 382 D HA 0.111 4.751 4.640 0.000 0.000 0.228 382 D C 0.465 176.756 176.300 -0.016 0.000 1.183 382 D CA 0.013 54.081 54.000 0.114 0.000 0.827 382 D CB 0.369 41.207 40.800 0.063 0.000 0.989 382 D HN 0.456 nan 8.370 nan 0.000 0.494 383 L N -0.378 120.756 121.223 -0.149 0.000 2.635 383 L HA 0.324 4.664 4.340 0.000 0.000 0.250 383 L C 0.239 176.609 176.870 -0.832 0.000 1.117 383 L CA -0.996 53.556 54.840 -0.481 0.000 0.834 383 L CB 0.534 42.285 42.059 -0.512 0.000 1.544 383 L HN -0.155 nan 8.230 nan 0.000 0.511 384 D N -1.075 118.865 120.400 -0.768 0.000 2.396 384 D HA 0.167 4.808 4.640 0.000 0.000 0.225 384 D C -0.559 175.306 176.300 -0.725 0.000 1.121 384 D CA -0.123 53.523 54.000 -0.589 0.000 0.853 384 D CB 0.473 41.084 40.800 -0.315 0.000 1.043 384 D HN 0.211 nan 8.370 nan 0.000 0.500 385 Y N 2.519 122.723 120.300 -0.161 0.000 2.625 385 Y HA 0.206 4.756 4.550 0.000 0.000 0.285 385 Y C 0.826 176.694 175.900 -0.053 0.000 1.168 385 Y CA -0.747 57.248 58.100 -0.176 0.000 1.250 385 Y CB -0.084 38.211 38.460 -0.276 0.000 1.130 385 Y HN 0.154 nan 8.280 nan 0.000 0.526 386 V N 1.741 121.656 119.914 0.002 0.000 5.827 386 V HA -0.230 3.890 4.120 0.000 0.000 0.194 386 V C -2.277 173.843 176.094 0.043 0.000 0.697 386 V CA -0.531 61.773 62.300 0.006 0.000 0.531 386 V CB -1.464 30.354 31.823 -0.009 0.000 0.266 386 V HN 0.268 nan 8.190 nan 0.000 0.447 387 P HA 0.391 nan 4.420 nan 0.000 0.275 387 P C 1.220 178.536 177.300 0.026 0.000 1.227 387 P CA 0.123 63.260 63.100 0.061 0.000 0.781 387 P CB 1.769 33.510 31.700 0.069 0.000 0.906 388 L N -2.133 119.106 121.223 0.027 0.000 3.447 388 L HA -0.304 4.036 4.340 0.000 0.000 0.337 388 L C 0.788 177.648 176.870 -0.018 0.000 4.145 388 L CA 1.761 56.606 54.840 0.007 0.000 1.229 388 L CB -1.795 40.266 42.059 0.004 0.000 3.307 388 L HN 0.402 nan 8.230 nan 0.000 0.751 389 E N 0.270 120.453 120.200 -0.027 0.000 2.191 389 E HA 0.681 5.031 4.350 0.000 0.000 0.274 389 E C 0.010 176.569 176.600 -0.068 0.000 0.948 389 E CA 0.306 56.677 56.400 -0.049 0.000 0.802 389 E CB 1.636 31.310 29.700 -0.042 0.000 1.137 389 E HN 0.314 nan 8.360 nan 0.000 0.397 390 A N 3.651 126.411 122.820 -0.100 0.000 2.429 390 A HA 0.331 4.651 4.320 0.000 0.000 0.242 390 A C -0.133 177.393 177.584 -0.097 0.000 1.088 390 A CA 0.134 52.094 52.037 -0.129 0.000 0.784 390 A CB 0.337 19.228 19.000 -0.183 0.000 1.038 390 A HN 0.586 nan 8.150 nan 0.000 0.501 391 R N 0.498 120.937 120.500 -0.101 0.000 2.532 391 R HA 0.294 4.634 4.340 0.000 0.000 0.297 391 R C -0.605 175.660 176.300 -0.059 0.000 0.984 391 R CA -0.400 55.655 56.100 -0.075 0.000 0.884 391 R CB 1.148 31.401 30.300 -0.078 0.000 1.182 391 R HN 0.929 nan 8.270 nan 0.000 0.442 392 E N 4.122 124.302 120.200 -0.034 0.000 2.376 392 E HA 0.068 4.418 4.350 0.000 0.000 0.266 392 E C -0.955 175.639 176.600 -0.011 0.000 1.009 392 E CA 0.144 56.538 56.400 -0.009 0.000 0.902 392 E CB 0.749 30.448 29.700 -0.002 0.000 0.972 392 E HN 0.488 nan 8.360 nan 0.000 0.439 393 R N 3.270 123.772 120.500 0.003 0.000 2.736 393 R HA 0.142 4.482 4.340 0.000 0.000 0.250 393 R C -1.620 174.691 176.300 0.018 0.000 1.098 393 R CA -0.845 55.256 56.100 0.001 0.000 0.978 393 R CB 0.851 31.139 30.300 -0.020 0.000 1.263 393 R HN 0.294 nan 8.270 nan 0.000 0.460 394 K N 3.392 123.803 120.400 0.019 0.000 2.349 394 K HA 0.294 4.614 4.320 0.000 0.000 0.289 394 K C -0.700 175.918 176.600 0.031 0.000 1.064 394 K CA -0.125 56.177 56.287 0.024 0.000 0.947 394 K CB 0.484 32.995 32.500 0.018 0.000 1.007 394 K HN 0.258 nan 8.250 nan 0.000 0.478 395 L N 4.354 125.599 121.223 0.037 0.000 2.307 395 L HA 0.451 4.791 4.340 0.000 0.000 0.284 395 L C 0.858 177.750 176.870 0.037 0.000 1.023 395 L CA -0.184 54.688 54.840 0.053 0.000 0.810 395 L CB 1.433 43.540 42.059 0.080 0.000 1.231 395 L HN 0.629 nan 8.230 nan 0.000 0.423 396 R N 0.359 120.882 120.500 0.037 0.000 2.320 396 R HA 0.252 4.592 4.340 0.000 0.000 0.193 396 R C -0.108 176.202 176.300 0.018 0.000 0.885 396 R CA 0.214 56.325 56.100 0.019 0.000 1.085 396 R CB 0.548 30.855 30.300 0.012 0.000 1.253 396 R HN 0.559 nan 8.270 nan 0.000 0.636 397 S N 0.641 116.359 115.700 0.030 0.000 2.594 397 S HA 0.556 5.026 4.470 0.000 0.000 0.296 397 S C -0.931 173.695 174.600 0.043 0.000 1.124 397 S CA -0.837 57.377 58.200 0.022 0.000 1.011 397 S CB 2.173 65.378 63.200 0.009 0.000 1.016 397 S HN 0.106 nan 8.310 nan 0.000 0.485 398 V N 1.372 121.306 119.914 0.033 0.000 3.001 398 V HA 0.898 5.018 4.120 0.000 0.000 0.314 398 V C -1.095 174.980 176.094 -0.031 0.000 1.099 398 V CA -1.030 61.284 62.300 0.024 0.000 0.989 398 V CB 1.731 33.606 31.823 0.087 0.000 1.040 398 V HN 0.690 nan 8.190 nan 0.000 0.434 399 L N 1.926 123.089 121.223 -0.100 0.000 2.362 399 L HA 0.939 5.279 4.340 0.000 0.000 0.271 399 L C -0.272 176.520 176.870 -0.130 0.000 1.002 399 L CA 0.230 55.016 54.840 -0.090 0.000 0.818 399 L CB 2.129 44.136 42.059 -0.087 0.000 1.298 399 L HN 1.158 nan 8.230 nan 0.000 0.420 400 T N 4.098 118.627 114.554 -0.041 0.000 2.952 400 T HA 0.741 5.091 4.350 0.000 0.000 0.305 400 T C -1.331 173.411 174.700 0.070 0.000 1.064 400 T CA -0.000 62.098 62.100 -0.004 0.000 1.008 400 T CB 1.014 69.895 68.868 0.021 0.000 1.078 400 T HN 0.911 nan 8.240 nan 0.000 0.459 401 V N 1.402 121.389 119.914 0.122 0.000 3.160 401 V HA 1.116 5.236 4.120 0.000 0.000 0.310 401 V C -0.130 176.065 176.094 0.169 0.000 1.181 401 V CA -0.470 61.918 62.300 0.146 0.000 1.047 401 V CB 1.609 33.542 31.823 0.183 0.000 1.068 401 V HN 1.247 nan 8.190 nan 0.000 0.441 402 G N 0.100 108.958 108.800 0.096 0.000 2.698 402 G HA2 0.668 4.628 3.960 0.000 0.000 0.293 402 G HA3 0.668 4.628 3.960 0.000 0.000 0.293 402 G C -1.361 173.387 174.900 -0.253 0.000 1.437 402 G CA -0.479 44.605 45.100 -0.026 0.000 0.852 402 G HN 1.042 nan 8.290 nan 0.000 0.499 403 S N -1.285 113.940 115.700 -0.792 0.000 2.536 403 S HA 0.907 5.377 4.470 0.000 0.000 0.287 403 S C 0.015 174.443 174.600 -0.286 0.000 1.101 403 S CA -0.297 57.655 58.200 -0.413 0.000 0.950 403 S CB 2.009 65.002 63.200 -0.345 0.000 1.056 403 S HN 1.344 nan 8.310 nan 0.000 0.481 404 G N 0.918 109.736 108.800 0.029 0.000 2.660 404 G HA2 0.647 4.607 3.960 0.000 0.000 0.294 404 G HA3 0.647 4.607 3.960 0.000 0.000 0.294 404 G C -1.211 173.904 174.900 0.358 0.000 1.369 404 G CA -0.674 44.511 45.100 0.142 0.000 0.912 404 G HN 0.408 nan 8.290 nan 0.000 0.479 405 F N 0.650 120.716 119.950 0.193 0.000 2.629 405 F HA 0.371 4.898 4.527 0.000 0.000 0.377 405 F C 1.688 177.615 175.800 0.212 0.000 1.101 405 F CA 1.245 59.347 58.000 0.169 0.000 1.301 405 F CB 0.948 40.044 39.000 0.159 0.000 1.062 405 F HN 1.122 nan 8.300 nan 0.000 0.583 406 G N 0.896 109.827 108.800 0.218 0.000 2.238 406 G HA2 0.065 4.025 3.960 0.000 0.000 0.217 406 G HA3 0.065 4.025 3.960 0.000 0.000 0.217 406 G C 0.950 175.637 174.900 -0.354 0.000 0.996 406 G CA 0.295 45.367 45.100 -0.047 0.000 0.632 406 G HN 1.840 nan 8.290 nan 0.000 0.503 407 G N -1.001 107.704 108.800 -0.158 0.000 2.195 407 G HA2 -0.094 3.866 3.960 0.000 0.000 0.224 407 G HA3 -0.094 3.866 3.960 0.000 0.000 0.224 407 G C 0.392 175.190 174.900 -0.171 0.000 0.990 407 G CA 0.255 45.257 45.100 -0.164 0.000 0.639 407 G HN 1.253 nan 8.290 nan 0.000 0.514 408 F N 1.777 121.760 119.950 0.054 0.000 2.607 408 F HA 0.466 4.993 4.527 0.000 0.000 0.374 408 F C 0.892 176.701 175.800 0.016 0.000 1.104 408 F CA 0.429 58.451 58.000 0.037 0.000 1.296 408 F CB 0.643 39.669 39.000 0.043 0.000 1.085 408 F HN -0.004 nan 8.300 nan 0.000 0.584 409 Q N 2.703 122.610 119.800 0.179 0.000 2.275 409 Q HA 0.478 4.819 4.340 0.000 0.000 0.266 409 Q C -1.048 174.999 176.000 0.078 0.000 1.002 409 Q CA -0.652 55.212 55.803 0.101 0.000 0.761 409 Q CB 2.193 30.980 28.738 0.081 0.000 1.255 409 Q HN 0.616 nan 8.270 nan 0.000 0.446 410 S N 0.645 116.386 115.700 0.067 0.000 2.568 410 S HA 0.972 5.443 4.470 0.000 0.000 0.293 410 S C -1.047 173.581 174.600 0.045 0.000 1.089 410 S CA -0.738 57.487 58.200 0.041 0.000 0.945 410 S CB 2.073 65.357 63.200 0.140 0.000 1.077 410 S HN 0.657 nan 8.310 nan 0.000 0.485 411 A N 1.973 124.790 122.820 -0.005 0.000 2.520 411 A HA 0.851 5.171 4.320 0.000 0.000 0.298 411 A C -1.141 176.482 177.584 0.064 0.000 1.051 411 A CA -0.577 51.483 52.037 0.038 0.000 0.690 411 A CB 1.572 20.583 19.000 0.018 0.000 1.281 411 A HN 0.820 nan 8.150 nan 0.000 0.402 412 M N 2.264 121.924 119.600 0.099 0.000 2.446 412 M HA 0.660 5.140 4.480 0.000 0.000 0.294 412 M C -1.984 174.343 176.300 0.044 0.000 1.158 412 M CA -0.602 54.769 55.300 0.118 0.000 0.899 412 M CB 2.168 34.850 32.600 0.136 0.000 1.687 412 M HN 0.450 nan 8.290 nan 0.000 0.455 413 V N 5.543 125.474 119.914 0.029 0.000 2.417 413 V HA 0.540 4.660 4.120 0.000 0.000 0.291 413 V C -0.761 175.324 176.094 -0.015 0.000 1.024 413 V CA -0.582 61.718 62.300 0.001 0.000 0.861 413 V CB 1.596 33.416 31.823 -0.004 0.000 0.985 413 V HN 0.760 nan 8.190 nan 0.000 0.436 414 L N 6.347 127.558 121.223 -0.020 0.000 2.362 414 L HA 0.755 5.095 4.340 0.000 0.000 0.275 414 L C -0.061 176.797 176.870 -0.020 0.000 0.998 414 L CA -0.574 54.247 54.840 -0.031 0.000 0.820 414 L CB 1.807 43.848 42.059 -0.030 0.000 1.270 414 L HN 0.707 nan 8.230 nan 0.000 0.415 415 R N 0.982 121.461 120.500 -0.035 0.000 2.795 415 R HA 0.492 4.832 4.340 0.000 0.000 0.275 415 R C -1.458 174.820 176.300 -0.036 0.000 0.981 415 R CA -0.753 55.329 56.100 -0.030 0.000 0.917 415 R CB 2.162 32.436 30.300 -0.042 0.000 1.202 415 R HN 0.621 nan 8.270 nan 0.000 0.469 416 D N 1.754 122.139 120.400 -0.025 0.000 2.384 416 D HA 0.188 4.828 4.640 0.000 0.000 0.244 416 D C 1.170 177.450 176.300 -0.032 0.000 1.251 416 D CA -0.052 53.932 54.000 -0.028 0.000 0.961 416 D CB 0.530 41.315 40.800 -0.026 0.000 1.116 416 D HN 0.586 nan 8.370 nan 0.000 0.484 417 A N -0.073 122.733 122.820 -0.024 0.000 1.877 417 A HA -0.235 4.085 4.320 0.000 0.000 0.216 417 A C 1.992 179.582 177.584 0.010 0.000 1.186 417 A CA 2.203 54.240 52.037 0.001 0.000 0.620 417 A CB -1.168 17.836 19.000 0.006 0.000 0.822 417 A HN 0.759 nan 8.150 nan 0.000 0.443 418 E N -0.011 120.188 120.200 -0.003 0.000 2.065 418 E HA -0.195 4.155 4.350 0.000 0.000 0.201 418 E C 1.929 178.529 176.600 0.001 0.000 1.016 418 E CA 2.580 58.981 56.400 0.001 0.000 0.818 418 E CB -0.843 28.853 29.700 -0.006 0.000 0.749 418 E HN 0.494 nan 8.360 nan 0.000 0.453 419 T N 0.158 114.706 114.554 -0.010 0.000 2.867 419 T HA -0.041 4.309 4.350 0.000 0.000 0.268 419 T C 1.793 176.477 174.700 -0.027 0.000 1.057 419 T CA 1.298 63.388 62.100 -0.016 0.000 1.136 419 T CB -0.474 68.381 68.868 -0.021 0.000 0.874 419 T HN 0.387 nan 8.240 nan 0.000 0.466 420 A N 1.558 124.352 122.820 -0.044 0.000 1.873 420 A HA 0.171 4.491 4.320 0.000 0.000 0.215 420 A C 2.655 180.233 177.584 -0.010 0.000 1.186 420 A CA 1.643 53.623 52.037 -0.095 0.000 0.616 420 A CB -1.343 17.537 19.000 -0.199 0.000 0.823 420 A HN 0.497 nan 8.150 nan 0.000 0.442 421 G N -0.883 107.958 108.800 0.068 0.000 2.470 421 G HA2 0.078 4.038 3.960 0.000 0.000 0.220 421 G HA3 0.078 4.038 3.960 0.000 0.000 0.220 421 G C 1.380 176.318 174.900 0.063 0.000 1.121 421 G CA 1.202 46.372 45.100 0.117 0.000 0.766 421 G HN 0.832 nan 8.290 nan 0.000 0.553 422 A N -0.034 122.804 122.820 0.030 0.000 2.195 422 A HA 0.743 5.064 4.320 0.000 0.000 0.210 422 A C 1.724 179.314 177.584 0.010 0.000 1.165 422 A CA 0.931 52.978 52.037 0.017 0.000 0.806 422 A CB -0.196 18.808 19.000 0.006 0.000 0.847 422 A HN 0.683 nan 8.150 nan 0.000 0.482 423 A N 0.000 122.822 122.820 0.003 0.000 2.254 423 A HA 0.000 4.320 4.320 0.000 0.000 0.244 423 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 423 A CB 0.000 18.978 19.000 -0.036 0.000 0.831 423 A HN 0.000 nan 8.150 nan 0.000 0.486