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_E 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 0.000 176.316 176.300 0.026 0.000 0.893 3 R CA 0.000 56.119 56.100 0.031 0.000 0.921 3 R CB 0.000 30.317 30.300 0.028 0.000 0.687 4 R N 1.560 122.088 120.500 0.047 0.000 2.500 4 R HA 0.625 4.965 4.340 -0.000 0.000 0.277 4 R C -0.721 175.592 176.300 0.022 0.000 1.026 4 R CA -0.813 55.292 56.100 0.009 0.000 1.058 4 R CB 1.607 31.884 30.300 -0.038 0.000 1.078 4 R HN 0.200 nan 8.270 nan 0.000 0.509 5 V N 2.360 122.253 119.914 -0.034 0.000 2.656 5 V HA 0.519 4.638 4.120 -0.000 0.000 0.307 5 V C -0.379 175.685 176.094 -0.051 0.000 1.051 5 V CA -0.789 61.495 62.300 -0.027 0.000 0.893 5 V CB 1.818 33.612 31.823 -0.049 0.000 0.999 5 V HN 0.640 nan 8.190 nan 0.000 0.426 6 V N 1.938 121.845 119.914 -0.011 0.000 3.007 6 V HA 0.685 4.804 4.120 -0.000 0.000 0.311 6 V C -0.708 175.377 176.094 -0.015 0.000 1.120 6 V CA -0.910 61.386 62.300 -0.007 0.000 0.980 6 V CB 2.202 34.077 31.823 0.087 0.000 1.033 6 V HN 0.678 nan 8.190 nan 0.000 0.429 7 I N 3.191 123.751 120.570 -0.015 0.000 2.325 7 I HA 0.412 4.582 4.170 -0.000 0.000 0.291 7 I C 1.326 177.509 176.117 0.111 0.000 1.019 7 I CA 0.261 61.556 61.300 -0.008 0.000 1.302 7 I CB 1.950 39.906 38.000 -0.075 0.000 1.401 7 I HN 1.015 nan 8.210 nan 0.000 0.485 8 T N 0.785 115.392 114.554 0.090 0.000 2.985 8 T HA 0.322 4.672 4.350 -0.000 0.000 0.254 8 T C 0.533 175.344 174.700 0.185 0.000 1.021 8 T CA -0.167 62.054 62.100 0.201 0.000 0.957 8 T CB 0.552 69.464 68.868 0.073 0.000 1.047 8 T HN 0.668 nan 8.240 nan 0.000 0.511 9 G N 0.442 109.235 108.800 -0.012 0.000 2.706 9 G HA2 0.582 4.542 3.960 -0.000 0.000 0.297 9 G HA3 0.582 4.542 3.960 -0.000 0.000 0.297 9 G C -1.855 172.984 174.900 -0.102 0.000 1.403 9 G CA -0.608 44.450 45.100 -0.070 0.000 0.954 9 G HN 0.273 nan 8.290 nan 0.000 0.500 10 V N 0.165 119.995 119.914 -0.141 0.000 2.656 10 V HA 0.901 5.021 4.120 -0.000 0.000 0.307 10 V C 0.407 176.433 176.094 -0.114 0.000 1.051 10 V CA -0.414 61.823 62.300 -0.104 0.000 0.893 10 V CB 1.937 33.713 31.823 -0.077 0.000 0.999 10 V HN 1.191 nan 8.190 nan 0.000 0.426 11 G N 1.872 110.538 108.800 -0.225 0.000 2.666 11 G HA2 0.656 4.616 3.960 -0.000 0.000 0.303 11 G HA3 0.656 4.616 3.960 -0.000 0.000 0.303 11 G C -1.708 173.054 174.900 -0.229 0.000 1.412 11 G CA -0.665 44.343 45.100 -0.154 0.000 0.979 11 G HN 0.780 nan 8.290 nan 0.000 0.507 12 V N 2.522 122.345 119.914 -0.153 0.000 2.841 12 V HA 0.922 5.042 4.120 -0.000 0.000 0.310 12 V C -1.384 174.603 176.094 -0.178 0.000 1.090 12 V CA -1.213 60.956 62.300 -0.219 0.000 0.930 12 V CB 2.358 34.010 31.823 -0.285 0.000 1.014 12 V HN 0.691 nan 8.190 nan 0.000 0.425 13 R N 4.006 124.384 120.500 -0.204 0.000 2.625 13 R HA 0.845 5.185 4.340 -0.000 0.000 0.286 13 R C -0.718 175.506 176.300 -0.126 0.000 1.406 13 R CA 0.544 56.542 56.100 -0.169 0.000 1.052 13 R CB 1.327 31.469 30.300 -0.264 0.000 1.203 13 R HN 1.136 nan 8.270 nan 0.000 0.502 14 A N 3.736 126.479 122.820 -0.129 0.000 2.435 14 A HA 0.865 5.185 4.320 -0.000 0.000 0.296 14 A C -2.667 174.965 177.584 0.080 0.000 1.147 14 A CA -2.098 49.908 52.037 -0.051 0.000 0.775 14 A CB 1.203 20.063 19.000 -0.233 0.000 1.340 14 A HN 0.411 nan 8.150 nan 0.000 0.427 15 P HA 0.291 nan 4.420 nan 0.000 0.267 15 P C 0.854 178.235 177.300 0.135 0.000 1.209 15 P CA 2.001 65.177 63.100 0.127 0.000 0.763 15 P CB 0.622 32.385 31.700 0.104 0.000 0.816 16 G N 2.847 111.717 108.800 0.116 0.000 2.187 16 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.261 16 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.261 16 G C 0.522 175.514 174.900 0.153 0.000 1.000 16 G CA -0.006 45.160 45.100 0.110 0.000 0.718 16 G HN 0.910 nan 8.290 nan 0.000 0.519 17 G N -0.495 108.411 108.800 0.177 0.000 3.948 17 G HA2 0.420 4.380 3.960 -0.000 0.000 0.300 17 G HA3 0.420 4.380 3.960 -0.000 0.000 0.300 17 G C -0.431 174.553 174.900 0.141 0.000 1.318 17 G CA -0.097 45.148 45.100 0.242 0.000 0.768 17 G HN 0.348 nan 8.290 nan 0.000 0.504 18 N N 1.706 120.468 118.700 0.104 0.000 2.605 18 N HA 0.491 5.231 4.740 -0.000 0.000 0.258 18 N C 0.604 176.156 175.510 0.070 0.000 1.156 18 N CA 1.061 54.146 53.050 0.057 0.000 1.008 18 N CB 0.283 38.795 38.487 0.041 0.000 1.354 18 N HN 1.048 nan 8.380 nan 0.000 0.509 19 G N 1.515 110.355 108.800 0.066 0.000 2.674 19 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.686 19 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.686 19 G C 0.875 175.885 174.900 0.184 0.000 1.195 19 G CA -0.192 44.960 45.100 0.088 0.000 0.776 19 G HN 0.436 nan 8.290 nan 0.000 0.654 20 T N 0.184 114.847 114.554 0.181 0.000 2.653 20 T HA -0.250 4.100 4.350 -0.000 0.000 0.268 20 T C 2.339 177.233 174.700 0.324 0.000 1.035 20 T CA 1.984 64.255 62.100 0.284 0.000 1.154 20 T CB -0.224 68.750 68.868 0.177 0.000 0.862 20 T HN 0.674 nan 8.240 nan 0.000 0.441 21 R N 1.302 121.944 120.500 0.236 0.000 2.080 21 R HA -0.106 4.234 4.340 -0.000 0.000 0.236 21 R C 2.683 179.130 176.300 0.245 0.000 1.137 21 R CA 2.038 58.278 56.100 0.232 0.000 0.943 21 R CB -0.978 29.417 30.300 0.158 0.000 0.846 21 R HN 0.698 nan 8.270 nan 0.000 0.431 22 Q N -0.300 119.627 119.800 0.212 0.000 2.119 22 Q HA -0.135 4.205 4.340 -0.000 0.000 0.201 22 Q C 1.947 178.103 176.000 0.259 0.000 0.972 22 Q CA 1.044 56.962 55.803 0.190 0.000 0.847 22 Q CB -0.149 28.679 28.738 0.149 0.000 0.903 22 Q HN 0.206 nan 8.270 nan 0.000 0.433 23 F N 0.423 120.465 119.950 0.153 0.000 2.051 23 F HA -0.244 4.283 4.527 -0.000 0.000 0.296 23 F C 1.945 177.886 175.800 0.235 0.000 1.122 23 F CA 1.659 59.761 58.000 0.171 0.000 1.201 23 F CB -0.964 38.143 39.000 0.178 0.000 0.978 23 F HN 0.317 nan 8.300 nan 0.000 0.472 24 W N 1.726 122.977 121.300 -0.082 0.000 2.342 24 W HA -0.263 4.397 4.660 -0.000 0.000 0.297 24 W C 2.310 178.759 176.519 -0.115 0.000 1.213 24 W CA 1.889 59.124 57.345 -0.185 0.000 1.251 24 W CB -0.443 29.042 29.460 0.040 0.000 1.136 24 W HN 0.301 nan 8.180 nan 0.000 0.526 25 E N 0.605 120.829 120.200 0.040 0.000 2.070 25 E HA -0.313 4.037 4.350 -0.000 0.000 0.197 25 E C 2.271 178.772 176.600 -0.165 0.000 1.004 25 E CA 1.837 58.193 56.400 -0.074 0.000 0.805 25 E CB -0.547 29.171 29.700 0.031 0.000 0.744 25 E HN 0.244 nan 8.360 nan 0.000 0.451 26 L N 0.933 122.093 121.223 -0.105 0.000 2.012 26 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 26 L C 2.275 179.015 176.870 -0.217 0.000 1.073 26 L CA 1.584 56.364 54.840 -0.101 0.000 0.748 26 L CB -0.430 41.634 42.059 0.009 0.000 0.891 26 L HN 0.227 nan 8.230 nan 0.000 0.431 27 L N -0.970 120.025 121.223 -0.381 0.000 2.017 27 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 27 L C 2.570 179.122 176.870 -0.531 0.000 1.073 27 L CA 1.988 56.545 54.840 -0.472 0.000 0.745 27 L CB -1.398 40.266 42.059 -0.658 0.000 0.894 27 L HN 0.516 nan 8.230 nan 0.000 0.432 28 T N -3.296 110.806 114.554 -0.754 0.000 2.867 28 T HA -0.143 4.207 4.350 -0.000 0.000 0.268 28 T C 1.936 176.437 174.700 -0.331 0.000 1.057 28 T CA 1.173 62.898 62.100 -0.625 0.000 1.136 28 T CB -0.532 67.907 68.868 -0.716 0.000 0.874 28 T HN 0.434 nan 8.240 nan 0.000 0.466 29 S N 0.877 116.419 115.700 -0.263 0.000 2.515 29 S HA 0.278 4.747 4.470 -0.000 0.000 0.231 29 S C 2.179 176.708 174.600 -0.119 0.000 0.987 29 S CA 0.673 58.781 58.200 -0.153 0.000 0.936 29 S CB -1.146 61.987 63.200 -0.112 0.000 0.766 29 S HN 1.260 nan 8.310 nan 0.000 0.528 30 G N 2.097 110.812 108.800 -0.142 0.000 2.196 30 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.268 30 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.268 30 G C 0.206 175.080 174.900 -0.043 0.000 0.975 30 G CA 0.569 45.616 45.100 -0.088 0.000 0.648 30 G HN 1.018 nan 8.290 nan 0.000 0.538 31 R N 0.220 120.693 120.500 -0.046 0.000 2.615 31 R HA 0.637 4.977 4.340 -0.000 0.000 0.270 31 R C 0.543 176.833 176.300 -0.018 0.000 1.081 31 R CA 0.152 56.240 56.100 -0.019 0.000 1.154 31 R CB 0.483 30.770 30.300 -0.021 0.000 1.063 31 R HN 0.421 nan 8.270 nan 0.000 0.519 32 T N -2.548 111.995 114.554 -0.018 0.000 2.948 32 T HA 0.624 4.974 4.350 -0.000 0.000 0.285 32 T C 0.331 175.018 174.700 -0.022 0.000 1.019 32 T CA -0.593 61.497 62.100 -0.017 0.000 1.013 32 T CB 1.880 70.728 68.868 -0.033 0.000 1.117 32 T HN 0.710 nan 8.240 nan 0.000 0.533 33 A N 1.100 123.917 122.820 -0.004 0.000 2.616 33 A HA 0.463 4.783 4.320 -0.000 0.000 0.294 33 A C 0.774 178.346 177.584 -0.020 0.000 1.091 33 A CA -0.314 51.722 52.037 -0.001 0.000 0.971 33 A CB -0.483 18.542 19.000 0.041 0.000 1.222 33 A HN 1.065 nan 8.150 nan 0.000 0.521 34 T N -0.664 113.865 114.554 -0.041 0.000 2.728 34 T HA 0.707 5.057 4.350 -0.000 0.000 0.296 34 T C 0.045 174.693 174.700 -0.085 0.000 0.940 34 T CA -0.600 61.467 62.100 -0.055 0.000 1.013 34 T CB 1.354 70.197 68.868 -0.041 0.000 0.912 34 T HN 0.292 nan 8.240 nan 0.000 0.484 35 R N 1.760 122.203 120.500 -0.096 0.000 3.045 35 R HA 0.535 4.875 4.340 -0.000 0.000 0.245 35 R C -0.175 176.050 176.300 -0.124 0.000 1.333 35 R CA -1.164 54.873 56.100 -0.105 0.000 1.036 35 R CB 1.035 31.276 30.300 -0.099 0.000 1.340 35 R HN 0.689 nan 8.270 nan 0.000 0.488 36 R N 1.108 121.534 120.500 -0.122 0.000 2.438 36 R HA 0.254 4.594 4.340 -0.000 0.000 0.287 36 R C 0.120 176.292 176.300 -0.212 0.000 1.077 36 R CA -0.308 55.709 56.100 -0.138 0.000 1.034 36 R CB 0.273 30.512 30.300 -0.101 0.000 0.993 36 R HN 0.449 nan 8.270 nan 0.000 0.459 37 I N 3.128 123.530 120.570 -0.279 0.000 2.880 37 I HA -0.176 3.994 4.170 -0.000 0.000 0.296 37 I C 1.240 177.115 176.117 -0.403 0.000 1.220 37 I CA 0.865 61.894 61.300 -0.451 0.000 1.435 37 I CB 1.029 38.659 38.000 -0.617 0.000 1.339 37 I HN 0.829 nan 8.210 nan 0.000 0.583 38 S N 3.864 119.292 115.700 -0.454 0.000 2.687 38 S HA 0.142 4.612 4.470 -0.000 0.000 0.247 38 S C 1.079 175.671 174.600 -0.013 0.000 1.050 38 S CA -0.356 57.718 58.200 -0.209 0.000 1.063 38 S CB 0.020 63.143 63.200 -0.127 0.000 1.039 38 S HN 0.505 nan 8.310 nan 0.000 0.580 39 F N 3.211 123.069 119.950 -0.154 0.000 2.699 39 F HA 0.415 4.942 4.527 -0.000 0.000 0.298 39 F C 0.592 176.520 175.800 0.212 0.000 1.154 39 F CA -1.229 56.789 58.000 0.030 0.000 1.457 39 F CB -1.041 38.025 39.000 0.110 0.000 1.106 39 F HN 0.424 nan 8.300 nan 0.000 0.585 40 F N -3.739 116.316 119.950 0.174 0.000 2.890 40 F HA 0.270 4.797 4.527 -0.000 0.000 0.326 40 F C -1.120 174.739 175.800 0.099 0.000 1.143 40 F CA -2.400 55.673 58.000 0.122 0.000 0.906 40 F CB 0.301 39.369 39.000 0.114 0.000 1.303 40 F HN -0.314 nan 8.300 nan 0.000 0.447 41 D N 2.905 123.511 120.400 0.344 0.000 2.349 41 D HA 0.357 4.997 4.640 -0.000 0.000 0.266 41 D C -1.841 174.667 176.300 0.347 0.000 1.293 41 D CA -1.857 52.277 54.000 0.223 0.000 0.926 41 D CB 1.172 42.086 40.800 0.189 0.000 1.090 41 D HN 0.300 nan 8.370 nan 0.000 0.502 42 P HA -0.015 nan 4.420 nan 0.000 0.233 42 P C 1.216 178.701 177.300 0.308 0.000 1.167 42 P CA 0.245 63.493 63.100 0.246 0.000 0.770 42 P CB 0.301 31.980 31.700 -0.036 0.000 0.837 43 S N 0.981 116.784 115.700 0.172 0.000 2.389 43 S HA -0.146 4.324 4.470 -0.000 0.000 0.231 43 S C -0.457 174.163 174.600 0.033 0.000 1.052 43 S CA 1.955 60.207 58.200 0.088 0.000 1.053 43 S CB -2.120 61.113 63.200 0.055 0.000 0.886 43 S HN 0.375 nan 8.310 nan 0.000 0.456 44 P HA 0.050 nan 4.420 nan 0.000 0.230 44 P C -0.301 176.717 177.300 -0.470 0.000 1.158 44 P CA 0.785 63.690 63.100 -0.325 0.000 0.769 44 P CB 0.052 31.437 31.700 -0.525 0.000 0.807 45 Y N -2.035 118.310 120.300 0.075 0.000 2.568 45 Y HA 0.423 4.972 4.550 -0.000 0.000 0.327 45 Y C 2.041 177.965 175.900 0.039 0.000 1.163 45 Y CA -1.009 57.131 58.100 0.067 0.000 1.219 45 Y CB 0.656 39.183 38.460 0.112 0.000 1.308 45 Y HN -0.409 nan 8.280 nan 0.000 0.503 46 R N 0.089 120.708 120.500 0.199 0.000 2.057 46 R HA -0.032 4.308 4.340 -0.000 0.000 0.229 46 R C 0.376 176.722 176.300 0.077 0.000 1.136 46 R CA 1.232 57.393 56.100 0.101 0.000 0.952 46 R CB -0.212 30.133 30.300 0.075 0.000 0.848 46 R HN 0.534 nan 8.270 nan 0.000 0.430 47 S N 0.609 116.356 115.700 0.079 0.000 2.404 47 S HA 0.131 4.601 4.470 -0.000 0.000 0.309 47 S C -0.147 174.469 174.600 0.027 0.000 1.076 47 S CA -0.614 57.594 58.200 0.015 0.000 1.095 47 S CB 1.162 64.335 63.200 -0.046 0.000 0.972 47 S HN 0.334 nan 8.310 nan 0.000 0.484 48 Q N 2.954 122.760 119.800 0.010 0.000 2.204 48 Q HA 0.208 4.548 4.340 -0.000 0.000 0.209 48 Q C -0.001 175.950 176.000 -0.082 0.000 0.861 48 Q CA -0.245 55.549 55.803 -0.015 0.000 0.971 48 Q CB 0.375 29.120 28.738 0.013 0.000 1.095 48 Q HN 0.617 nan 8.270 nan 0.000 0.486 49 V N -2.416 117.450 119.914 -0.081 0.000 2.628 49 V HA 0.993 5.113 4.120 -0.000 0.000 0.306 49 V C -0.462 175.570 176.094 -0.103 0.000 1.045 49 V CA -1.012 61.229 62.300 -0.098 0.000 0.905 49 V CB 1.536 33.316 31.823 -0.072 0.000 0.997 49 V HN 0.089 nan 8.190 nan 0.000 0.436 50 A N 2.628 125.373 122.820 -0.125 0.000 2.610 50 A HA 0.955 5.275 4.320 -0.000 0.000 0.291 50 A C -0.475 177.045 177.584 -0.107 0.000 1.086 50 A CA -0.366 51.608 52.037 -0.106 0.000 0.677 50 A CB 1.504 20.417 19.000 -0.145 0.000 1.278 50 A HN 2.304 nan 8.150 nan 0.000 0.414 51 A N 1.138 123.927 122.820 -0.052 0.000 2.341 51 A HA 0.611 4.931 4.320 -0.000 0.000 0.326 51 A C -0.219 177.353 177.584 -0.020 0.000 1.402 51 A CA -0.224 51.797 52.037 -0.027 0.000 0.957 51 A CB -0.288 18.728 19.000 0.027 0.000 1.151 51 A HN 0.664 nan 8.150 nan 0.000 0.533 52 E N 1.435 121.589 120.200 -0.077 0.000 2.249 52 E HA 0.529 4.879 4.350 -0.000 0.000 0.280 52 E C 0.066 176.748 176.600 0.136 0.000 1.016 52 E CA -0.425 55.956 56.400 -0.031 0.000 0.830 52 E CB 1.737 31.216 29.700 -0.368 0.000 1.081 52 E HN 0.725 nan 8.360 nan 0.000 0.395 53 A N 2.584 125.583 122.820 0.298 0.000 2.303 53 A HA 0.207 4.527 4.320 -0.000 0.000 0.317 53 A C -0.531 177.250 177.584 0.328 0.000 1.149 53 A CA -0.617 51.595 52.037 0.292 0.000 0.822 53 A CB 0.742 19.959 19.000 0.362 0.000 1.131 53 A HN 0.625 nan 8.150 nan 0.000 0.493 54 D N 1.067 121.602 120.400 0.225 0.000 2.393 54 D HA 0.424 5.064 4.640 -0.000 0.000 0.232 54 D C -1.335 175.098 176.300 0.221 0.000 1.192 54 D CA 0.501 54.624 54.000 0.206 0.000 0.882 54 D CB -0.162 40.713 40.800 0.125 0.000 1.038 54 D HN 0.241 nan 8.370 nan 0.000 0.499 55 F N 2.863 122.853 119.950 0.066 0.000 2.507 55 F HA 0.336 4.863 4.527 -0.000 0.000 0.325 55 F C -0.812 175.010 175.800 0.036 0.000 1.116 55 F CA -1.101 56.888 58.000 -0.017 0.000 0.930 55 F CB 1.679 40.654 39.000 -0.042 0.000 1.146 55 F HN 0.092 nan 8.300 nan 0.000 0.447 56 D N 8.139 128.269 120.400 -0.450 0.000 2.462 56 D HA 0.369 5.009 4.640 -0.000 0.000 0.249 56 D C -2.109 173.931 176.300 -0.434 0.000 1.117 56 D CA -2.493 51.334 54.000 -0.288 0.000 0.900 56 D CB 1.710 42.408 40.800 -0.171 0.000 1.039 56 D HN 0.173 nan 8.370 nan 0.000 0.516 57 P HA -0.204 nan 4.420 nan 0.000 0.216 57 P C 1.581 178.938 177.300 0.094 0.000 1.157 57 P CA 0.830 63.936 63.100 0.009 0.000 0.880 57 P CB 0.421 32.206 31.700 0.141 0.000 0.791 58 V N 0.041 119.971 119.914 0.026 0.000 2.295 58 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 58 V C 2.482 178.551 176.094 -0.041 0.000 1.049 58 V CA 2.329 64.641 62.300 0.020 0.000 1.024 58 V CB -1.898 29.931 31.823 0.010 0.000 0.648 58 V HN 0.113 nan 8.190 nan 0.000 0.447 59 A N -0.680 122.089 122.820 -0.086 0.000 2.019 59 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 59 A C 2.135 179.626 177.584 -0.154 0.000 1.164 59 A CA 1.390 53.361 52.037 -0.109 0.000 0.644 59 A CB -0.383 18.549 19.000 -0.113 0.000 0.805 59 A HN 0.519 nan 8.150 nan 0.000 0.449 60 E N -1.277 118.797 120.200 -0.210 0.000 2.347 60 E HA 0.047 4.397 4.350 -0.000 0.000 0.196 60 E C 1.269 177.674 176.600 -0.325 0.000 1.008 60 E CA 0.833 57.076 56.400 -0.262 0.000 0.852 60 E CB -0.161 29.369 29.700 -0.284 0.000 0.783 60 E HN 0.832 nan 8.360 nan 0.000 0.505 61 G N 0.726 109.380 108.800 -0.243 0.000 2.138 61 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.193 61 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.193 61 G C -0.069 174.662 174.900 -0.282 0.000 0.998 61 G CA -0.338 44.605 45.100 -0.261 0.000 0.668 61 G HN 0.143 nan 8.290 nan 0.000 0.516 62 F N 1.276 121.218 119.950 -0.013 0.000 2.396 62 F HA 0.577 5.103 4.527 -0.000 0.000 0.343 62 F C 1.365 177.173 175.800 0.014 0.000 1.104 62 F CA 0.272 58.283 58.000 0.019 0.000 1.161 62 F CB 1.391 40.422 39.000 0.051 0.000 1.146 62 F HN 0.178 nan 8.300 nan 0.000 0.522 63 G N 2.680 111.607 108.800 0.212 0.000 2.522 63 G HA2 0.358 4.318 3.960 -0.000 0.000 0.304 63 G HA3 0.358 4.318 3.960 -0.000 0.000 0.304 63 G C -2.082 172.890 174.900 0.121 0.000 1.210 63 G CA -1.443 43.731 45.100 0.123 0.000 0.960 63 G HN 0.382 nan 8.290 nan 0.000 0.497 64 P HA -0.171 nan 4.420 nan 0.000 0.215 64 P C 1.936 179.283 177.300 0.078 0.000 1.163 64 P CA 1.342 64.486 63.100 0.072 0.000 0.894 64 P CB 0.125 31.858 31.700 0.055 0.000 0.791 65 R N -0.418 120.128 120.500 0.077 0.000 2.120 65 R HA -0.120 4.220 4.340 -0.000 0.000 0.234 65 R C 2.281 178.625 176.300 0.073 0.000 1.123 65 R CA 1.247 57.396 56.100 0.082 0.000 0.975 65 R CB -0.511 29.833 30.300 0.073 0.000 0.866 65 R HN 0.395 nan 8.270 nan 0.000 0.446 66 E N 0.227 120.483 120.200 0.093 0.000 2.072 66 E HA -0.141 4.208 4.350 -0.000 0.000 0.191 66 E C 1.771 178.373 176.600 0.004 0.000 0.985 66 E CA 0.711 57.168 56.400 0.095 0.000 0.801 66 E CB 0.084 29.931 29.700 0.245 0.000 0.750 66 E HN 0.096 nan 8.360 nan 0.000 0.452 67 L N 1.094 122.332 121.223 0.025 0.000 2.109 67 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 67 L C 2.048 178.912 176.870 -0.009 0.000 1.086 67 L CA 1.697 56.525 54.840 -0.020 0.000 0.760 67 L CB -0.972 41.106 42.059 0.031 0.000 0.910 67 L HN 0.115 nan 8.230 nan 0.000 0.437 68 D N -0.665 119.754 120.400 0.031 0.000 2.178 68 D HA -0.194 4.446 4.640 -0.000 0.000 0.202 68 D C 2.416 178.704 176.300 -0.020 0.000 0.974 68 D CA 0.876 54.924 54.000 0.079 0.000 0.841 68 D CB 0.293 41.186 40.800 0.154 0.000 0.953 68 D HN 0.135 nan 8.370 nan 0.000 0.478 69 R N -0.377 119.993 120.500 -0.216 0.000 2.052 69 R HA 0.081 4.421 4.340 -0.000 0.000 0.224 69 R C 0.802 176.924 176.300 -0.296 0.000 1.149 69 R CA 0.473 56.168 56.100 -0.676 0.000 0.962 69 R CB -0.133 29.946 30.300 -0.368 0.000 0.856 69 R HN 0.235 nan 8.270 nan 0.000 0.433 70 M N 1.256 120.781 119.600 -0.124 0.000 2.235 70 M HA 0.258 4.738 4.480 -0.000 0.000 0.351 70 M C -0.534 175.740 176.300 -0.043 0.000 1.178 70 M CA -0.487 54.784 55.300 -0.049 0.000 1.143 70 M CB 1.130 33.681 32.600 -0.083 0.000 1.530 70 M HN -0.092 nan 8.290 nan 0.000 0.461 71 D N 1.157 121.556 120.400 -0.002 0.000 2.368 71 D HA 0.076 4.716 4.640 -0.000 0.000 0.240 71 D C 1.209 177.405 176.300 -0.173 0.000 1.169 71 D CA -0.085 53.841 54.000 -0.124 0.000 0.906 71 D CB 0.968 41.696 40.800 -0.120 0.000 1.187 71 D HN 0.763 nan 8.370 nan 0.000 0.435 72 R N 2.116 122.479 120.500 -0.228 0.000 2.103 72 R HA -0.242 4.098 4.340 -0.000 0.000 0.242 72 R C 1.777 177.854 176.300 -0.373 0.000 1.142 72 R CA 1.741 57.676 56.100 -0.275 0.000 0.960 72 R CB -0.437 29.651 30.300 -0.353 0.000 0.858 72 R HN 0.566 nan 8.270 nan 0.000 0.439 73 A N -0.140 122.456 122.820 -0.374 0.000 1.933 73 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 73 A C 2.176 179.665 177.584 -0.158 0.000 1.175 73 A CA 1.810 53.638 52.037 -0.348 0.000 0.628 73 A CB -0.411 18.431 19.000 -0.264 0.000 0.814 73 A HN 0.426 nan 8.150 nan 0.000 0.444 74 S N -0.384 115.244 115.700 -0.119 0.000 2.402 74 S HA -0.182 4.288 4.470 -0.000 0.000 0.229 74 S C 2.064 176.651 174.600 -0.022 0.000 1.021 74 S CA 1.436 59.600 58.200 -0.059 0.000 0.974 74 S CB -0.279 62.888 63.200 -0.056 0.000 0.800 74 S HN 0.708 nan 8.310 nan 0.000 0.484 75 Q N -0.170 119.572 119.800 -0.097 0.000 2.084 75 Q HA -0.091 4.249 4.340 -0.000 0.000 0.202 75 Q C 1.720 177.848 176.000 0.213 0.000 0.978 75 Q CA 1.401 57.135 55.803 -0.114 0.000 0.844 75 Q CB -0.280 28.360 28.738 -0.162 0.000 0.898 75 Q HN 0.450 nan 8.270 nan 0.000 0.426 76 F N 0.442 120.199 119.950 -0.320 0.000 2.102 76 F HA -0.167 4.360 4.527 -0.000 0.000 0.298 76 F C 2.375 178.134 175.800 -0.067 0.000 1.105 76 F CA 1.035 58.842 58.000 -0.322 0.000 1.239 76 F CB -0.975 37.785 39.000 -0.399 0.000 0.991 76 F HN 0.062 nan 8.300 nan 0.000 0.474 77 A N -0.176 122.727 122.820 0.139 0.000 1.877 77 A HA -0.138 4.181 4.320 -0.000 0.000 0.216 77 A C 2.419 180.071 177.584 0.112 0.000 1.186 77 A CA 2.081 54.166 52.037 0.080 0.000 0.620 77 A CB -1.253 17.763 19.000 0.028 0.000 0.822 77 A HN 0.169 nan 8.150 nan 0.000 0.443 78 V N -0.158 119.866 119.914 0.183 0.000 2.358 78 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 78 V C 3.049 179.279 176.094 0.227 0.000 1.047 78 V CA 1.878 64.315 62.300 0.228 0.000 1.035 78 V CB -1.245 30.804 31.823 0.376 0.000 0.658 78 V HN 0.620 nan 8.190 nan 0.000 0.452 79 A N -1.093 121.924 122.820 0.330 0.000 1.933 79 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 79 A C 2.337 179.989 177.584 0.114 0.000 1.175 79 A CA 2.267 54.440 52.037 0.226 0.000 0.628 79 A CB -1.044 18.191 19.000 0.393 0.000 0.814 79 A HN 0.596 nan 8.150 nan 0.000 0.444 80 C N -1.281 118.072 119.300 0.090 0.000 2.466 80 C HA 0.163 4.623 4.460 -0.000 0.000 0.278 80 C C 3.315 178.331 174.990 0.044 0.000 1.288 80 C CA 0.534 59.564 59.018 0.019 0.000 1.722 80 C CB -1.229 26.484 27.740 -0.045 0.000 2.017 80 C HN 0.710 nan 8.230 nan 0.000 0.488 81 A N 0.707 123.577 122.820 0.083 0.000 1.902 81 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 81 A C 2.228 179.938 177.584 0.209 0.000 1.181 81 A CA 1.465 53.590 52.037 0.147 0.000 0.623 81 A CB -0.506 18.540 19.000 0.077 0.000 0.818 81 A HN 0.665 nan 8.150 nan 0.000 0.443 82 R N -0.849 119.736 120.500 0.142 0.000 2.075 82 R HA -0.123 4.217 4.340 -0.000 0.000 0.232 82 R C 2.324 178.714 176.300 0.149 0.000 1.126 82 R CA 1.445 57.628 56.100 0.137 0.000 0.963 82 R CB -0.259 30.056 30.300 0.025 0.000 0.858 82 R HN 0.808 nan 8.270 nan 0.000 0.435 83 E N 0.701 120.962 120.200 0.100 0.000 2.047 83 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 83 E C 1.897 178.566 176.600 0.116 0.000 0.987 83 E CA 1.167 57.615 56.400 0.079 0.000 0.799 83 E CB -0.034 29.689 29.700 0.037 0.000 0.752 83 E HN 0.340 nan 8.360 nan 0.000 0.449 84 A N 0.435 123.328 122.820 0.122 0.000 1.972 84 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 84 A C 1.953 179.676 177.584 0.231 0.000 1.169 84 A CA 1.037 53.141 52.037 0.111 0.000 0.635 84 A CB -0.745 18.288 19.000 0.054 0.000 0.810 84 A HN 0.462 nan 8.150 nan 0.000 0.446 85 F N 0.884 120.954 119.950 0.200 0.000 2.060 85 F HA -0.052 4.475 4.527 -0.000 0.000 0.295 85 F C 2.663 178.544 175.800 0.134 0.000 1.120 85 F CA 0.771 58.925 58.000 0.257 0.000 1.205 85 F CB -0.968 38.186 39.000 0.257 0.000 0.986 85 F HN 0.257 nan 8.300 nan 0.000 0.470 86 A N 0.080 123.108 122.820 0.346 0.000 1.940 86 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 86 A C 2.358 180.042 177.584 0.166 0.000 1.176 86 A CA 2.038 54.177 52.037 0.170 0.000 0.631 86 A CB -1.508 17.537 19.000 0.075 0.000 0.814 86 A HN 0.444 nan 8.150 nan 0.000 0.446 87 A N -0.066 122.850 122.820 0.160 0.000 2.119 87 A HA 0.049 4.369 4.320 -0.000 0.000 0.217 87 A C 2.351 180.030 177.584 0.159 0.000 1.153 87 A CA 1.811 53.929 52.037 0.136 0.000 0.692 87 A CB -0.674 18.389 19.000 0.104 0.000 0.799 87 A HN 0.966 nan 8.150 nan 0.000 0.458 88 S N -1.773 114.032 115.700 0.174 0.000 2.470 88 S HA 0.301 4.771 4.470 -0.000 0.000 0.225 88 S C 1.692 176.380 174.600 0.146 0.000 1.006 88 S CA 1.282 59.567 58.200 0.143 0.000 0.934 88 S CB -0.425 62.818 63.200 0.072 0.000 0.778 88 S HN 1.818 nan 8.310 nan 0.000 0.517 89 G N 0.576 109.484 108.800 0.180 0.000 2.212 89 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.266 89 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.266 89 G C -0.002 174.998 174.900 0.167 0.000 0.978 89 G CA 0.314 45.501 45.100 0.145 0.000 0.632 89 G HN 0.671 nan 8.290 nan 0.000 0.537 90 L N 1.846 123.198 121.223 0.215 0.000 2.628 90 L HA 0.336 4.676 4.340 -0.000 0.000 0.274 90 L C 0.433 177.488 176.870 0.308 0.000 1.209 90 L CA -0.065 54.908 54.840 0.222 0.000 0.930 90 L CB 0.537 42.699 42.059 0.171 0.000 1.183 90 L HN 0.258 nan 8.230 nan 0.000 0.492 91 D N 7.198 127.714 120.400 0.194 0.000 2.325 91 D HA 0.162 4.802 4.640 -0.000 0.000 0.251 91 D C -1.753 174.659 176.300 0.187 0.000 1.196 91 D CA -1.996 52.097 54.000 0.155 0.000 0.866 91 D CB 1.503 42.358 40.800 0.091 0.000 1.101 91 D HN 0.341 nan 8.370 nan 0.000 0.476 92 P HA -0.138 nan 4.420 nan 0.000 0.215 92 P C 0.662 178.035 177.300 0.122 0.000 1.157 92 P CA 0.996 64.204 63.100 0.180 0.000 0.874 92 P CB 0.313 32.031 31.700 0.031 0.000 0.790 93 D N -1.312 119.132 120.400 0.074 0.000 2.149 93 D HA -0.133 4.507 4.640 -0.000 0.000 0.198 93 D C 1.784 178.121 176.300 0.062 0.000 0.990 93 D CA 1.934 55.967 54.000 0.055 0.000 0.839 93 D CB -1.109 39.713 40.800 0.036 0.000 0.948 93 D HN 0.310 nan 8.370 nan 0.000 0.460 94 T N -2.009 112.589 114.554 0.073 0.000 3.113 94 T HA 0.107 4.457 4.350 -0.000 0.000 0.256 94 T C 1.020 175.766 174.700 0.076 0.000 1.131 94 T CA -0.170 61.969 62.100 0.065 0.000 1.074 94 T CB -0.091 68.812 68.868 0.059 0.000 0.944 94 T HN 0.004 nan 8.240 nan 0.000 0.516 95 L N 2.395 123.681 121.223 0.105 0.000 2.331 95 L HA 0.386 4.726 4.340 -0.000 0.000 0.278 95 L C -0.083 176.843 176.870 0.093 0.000 1.106 95 L CA -0.614 54.295 54.840 0.114 0.000 0.824 95 L CB 0.876 43.042 42.059 0.178 0.000 1.142 95 L HN 0.148 nan 8.230 nan 0.000 0.443 96 D N 5.362 125.809 120.400 0.077 0.000 2.428 96 D HA 0.227 4.867 4.640 -0.000 0.000 0.221 96 D C -1.704 174.641 176.300 0.074 0.000 1.123 96 D CA -2.179 51.861 54.000 0.065 0.000 0.869 96 D CB 1.623 42.453 40.800 0.050 0.000 1.032 96 D HN 0.132 nan 8.370 nan 0.000 0.506 97 P HA -0.220 nan 4.420 nan 0.000 0.218 97 P C 0.991 178.334 177.300 0.073 0.000 1.152 97 P CA 1.768 64.919 63.100 0.085 0.000 0.857 97 P CB 0.211 31.958 31.700 0.079 0.000 0.787 98 A N -0.965 121.890 122.820 0.059 0.000 2.125 98 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 98 A C 1.880 179.493 177.584 0.048 0.000 1.156 98 A CA 1.332 53.399 52.037 0.050 0.000 0.671 98 A CB -0.547 18.478 19.000 0.042 0.000 0.794 98 A HN 0.049 nan 8.150 nan 0.000 0.459 99 R N -0.876 119.654 120.500 0.051 0.000 2.397 99 R HA 0.249 4.589 4.340 -0.000 0.000 0.241 99 R C -0.516 175.815 176.300 0.052 0.000 0.914 99 R CA 0.118 56.244 56.100 0.044 0.000 1.071 99 R CB -0.091 30.231 30.300 0.037 0.000 1.116 99 R HN 0.285 nan 8.270 nan 0.000 0.524 100 V N 0.685 120.644 119.914 0.075 0.000 2.394 100 V HA 0.634 4.753 4.120 -0.000 0.000 0.282 100 V C 0.619 176.776 176.094 0.105 0.000 1.031 100 V CA -0.699 61.666 62.300 0.108 0.000 0.881 100 V CB 1.542 33.459 31.823 0.156 0.000 0.982 100 V HN 0.263 nan 8.190 nan 0.000 0.451 101 G N 3.217 112.082 108.800 0.109 0.000 2.685 101 G HA2 0.742 4.702 3.960 -0.000 0.000 0.298 101 G HA3 0.742 4.702 3.960 -0.000 0.000 0.298 101 G C -1.495 173.478 174.900 0.123 0.000 1.277 101 G CA -0.657 44.495 45.100 0.086 0.000 0.986 101 G HN 0.534 nan 8.290 nan 0.000 0.487 102 V N -0.328 119.628 119.914 0.071 0.000 2.789 102 V HA 0.727 4.847 4.120 -0.000 0.000 0.311 102 V C -0.458 175.654 176.094 0.029 0.000 1.073 102 V CA -0.727 61.615 62.300 0.071 0.000 0.921 102 V CB 2.072 33.903 31.823 0.014 0.000 1.009 102 V HN 0.799 nan 8.190 nan 0.000 0.426 103 S N 5.023 120.742 115.700 0.032 0.000 2.721 103 S HA 0.566 5.036 4.470 -0.000 0.000 0.264 103 S C -1.453 173.150 174.600 0.006 0.000 1.161 103 S CA -0.402 57.800 58.200 0.003 0.000 1.113 103 S CB 0.599 63.792 63.200 -0.010 0.000 1.079 103 S HN 0.601 nan 8.310 nan 0.000 0.479 104 L N 4.857 126.073 121.223 -0.011 0.000 2.322 104 L HA 0.827 5.167 4.340 -0.000 0.000 0.281 104 L C 0.303 177.157 176.870 -0.026 0.000 1.014 104 L CA -0.056 54.775 54.840 -0.014 0.000 0.815 104 L CB 1.101 43.144 42.059 -0.026 0.000 1.247 104 L HN 0.800 nan 8.230 nan 0.000 0.421 105 G N 2.097 110.884 108.800 -0.021 0.000 2.389 105 G HA2 0.550 4.510 3.960 -0.000 0.000 0.328 105 G HA3 0.550 4.510 3.960 -0.000 0.000 0.328 105 G C -1.125 173.751 174.900 -0.039 0.000 1.133 105 G CA -0.303 44.777 45.100 -0.033 0.000 0.891 105 G HN 0.606 nan 8.290 nan 0.000 0.485 106 S N -0.556 115.114 115.700 -0.050 0.000 2.563 106 S HA 0.544 5.014 4.470 -0.000 0.000 0.279 106 S C 0.690 175.257 174.600 -0.054 0.000 1.155 106 S CA 0.286 58.453 58.200 -0.054 0.000 0.928 106 S CB 1.378 64.542 63.200 -0.061 0.000 1.107 106 S HN 1.207 nan 8.310 nan 0.000 0.462 107 A N 2.901 125.691 122.820 -0.050 0.000 1.850 107 A HA 0.172 4.492 4.320 -0.000 0.000 0.212 107 A C 1.562 179.130 177.584 -0.027 0.000 1.208 107 A CA 1.654 53.668 52.037 -0.038 0.000 0.609 107 A CB -0.692 18.285 19.000 -0.038 0.000 0.860 107 A HN 1.527 nan 8.150 nan 0.000 0.448 108 V N -4.792 115.100 119.914 -0.037 0.000 3.528 108 V HA 0.577 4.697 4.120 -0.000 0.000 0.294 108 V C 1.365 177.424 176.094 -0.058 0.000 1.404 108 V CA 0.383 62.660 62.300 -0.039 0.000 1.065 108 V CB -1.076 30.728 31.823 -0.033 0.000 0.904 108 V HN 1.597 nan 8.190 nan 0.000 0.435 109 A N 1.707 124.486 122.820 -0.068 0.000 5.236 109 A HA -0.321 3.999 4.320 -0.000 0.000 0.326 109 A C 1.715 179.242 177.584 -0.094 0.000 1.825 109 A CA 2.549 54.540 52.037 -0.076 0.000 0.710 109 A CB -2.144 16.822 19.000 -0.057 0.000 1.383 109 A HN 2.114 nan 8.150 nan 0.000 0.386 110 A N -0.368 122.409 122.820 -0.073 0.000 2.503 110 A HA 0.618 4.938 4.320 -0.000 0.000 0.263 110 A C 1.995 179.500 177.584 -0.131 0.000 1.360 110 A CA 1.134 53.111 52.037 -0.100 0.000 0.969 110 A CB -1.413 17.584 19.000 -0.005 0.000 1.000 110 A HN 2.302 nan 8.150 nan 0.000 0.530 111 A N -0.197 122.556 122.820 -0.112 0.000 1.927 111 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 111 A C 2.280 179.784 177.584 -0.133 0.000 1.185 111 A CA 2.627 54.600 52.037 -0.106 0.000 0.639 111 A CB -1.076 17.873 19.000 -0.085 0.000 0.820 111 A HN 0.439 nan 8.150 nan 0.000 0.451 112 T N -0.260 114.199 114.554 -0.159 0.000 2.708 112 T HA -0.113 4.237 4.350 -0.000 0.000 0.266 112 T C 2.259 176.824 174.700 -0.225 0.000 1.037 112 T CA 1.751 63.747 62.100 -0.173 0.000 1.146 112 T CB -0.345 68.409 68.868 -0.191 0.000 0.865 112 T HN 0.491 nan 8.240 nan 0.000 0.435 113 S N 1.053 116.545 115.700 -0.348 0.000 2.383 113 S HA 0.078 4.548 4.470 -0.000 0.000 0.227 113 S C 2.030 176.400 174.600 -0.382 0.000 1.026 113 S CA 0.661 58.526 58.200 -0.560 0.000 0.981 113 S CB -0.420 62.008 63.200 -1.286 0.000 0.818 113 S HN 0.328 nan 8.310 nan 0.000 0.472 114 L N 1.018 122.101 121.223 -0.234 0.000 2.017 114 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 114 L C 2.667 179.528 176.870 -0.015 0.000 1.073 114 L CA 1.536 56.338 54.840 -0.063 0.000 0.745 114 L CB -0.444 41.587 42.059 -0.046 0.000 0.894 114 L HN 0.339 nan 8.230 nan 0.000 0.432 115 E N 0.198 120.364 120.200 -0.056 0.000 2.077 115 E HA -0.275 4.075 4.350 -0.000 0.000 0.193 115 E C 2.311 178.921 176.600 0.016 0.000 0.989 115 E CA 1.164 57.557 56.400 -0.011 0.000 0.800 115 E CB 0.042 29.697 29.700 -0.076 0.000 0.746 115 E HN 0.240 nan 8.360 nan 0.000 0.452 116 R N 0.318 120.788 120.500 -0.050 0.000 2.073 116 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 116 R C 1.938 178.234 176.300 -0.006 0.000 1.134 116 R CA 1.752 57.826 56.100 -0.043 0.000 0.952 116 R CB -0.046 30.205 30.300 -0.081 0.000 0.850 116 R HN 0.106 nan 8.270 nan 0.000 0.433 117 E N -0.117 120.093 120.200 0.018 0.000 2.107 117 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 117 E C 1.680 178.307 176.600 0.046 0.000 0.982 117 E CA 0.909 57.350 56.400 0.069 0.000 0.809 117 E CB -0.548 29.240 29.700 0.147 0.000 0.756 117 E HN 0.452 nan 8.360 nan 0.000 0.459 118 Y N 1.521 121.809 120.300 -0.020 0.000 2.151 118 Y HA -0.246 4.304 4.550 -0.000 0.000 0.284 118 Y C 1.987 177.857 175.900 -0.051 0.000 1.166 118 Y CA 1.187 59.268 58.100 -0.033 0.000 1.163 118 Y CB -0.278 38.158 38.460 -0.040 0.000 0.974 118 Y HN -0.041 nan 8.280 nan 0.000 0.511 119 L N -0.129 120.973 121.223 -0.201 0.000 2.083 119 L HA -0.234 4.106 4.340 -0.000 0.000 0.209 119 L C 2.410 179.075 176.870 -0.342 0.000 1.083 119 L CA 1.595 56.266 54.840 -0.281 0.000 0.752 119 L CB -1.189 40.798 42.059 -0.120 0.000 0.899 119 L HN 0.321 nan 8.230 nan 0.000 0.433 120 L N -1.837 119.236 121.223 -0.251 0.000 2.072 120 L HA -0.185 4.155 4.340 -0.000 0.000 0.205 120 L C 2.400 179.080 176.870 -0.317 0.000 1.079 120 L CA 0.873 55.533 54.840 -0.301 0.000 0.752 120 L CB -0.448 41.588 42.059 -0.037 0.000 0.906 120 L HN 0.207 nan 8.230 nan 0.000 0.436 121 L N -0.479 120.632 121.223 -0.187 0.000 2.056 121 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 121 L C 2.608 179.336 176.870 -0.238 0.000 1.078 121 L CA 1.625 56.390 54.840 -0.125 0.000 0.749 121 L CB -0.401 41.618 42.059 -0.066 0.000 0.901 121 L HN 0.364 nan 8.230 nan 0.000 0.433 122 S N -2.656 112.775 115.700 -0.448 0.000 2.535 122 S HA -0.011 4.459 4.470 -0.000 0.000 0.214 122 S C 0.635 175.037 174.600 -0.331 0.000 0.980 122 S CA 0.172 58.121 58.200 -0.418 0.000 0.907 122 S CB 0.100 62.858 63.200 -0.737 0.000 0.790 122 S HN 0.450 nan 8.310 nan 0.000 0.510 123 D N 1.205 121.377 120.400 -0.381 0.000 2.718 123 D HA -0.171 4.469 4.640 -0.000 0.000 0.242 123 D C -0.210 175.947 176.300 -0.238 0.000 1.123 123 D CA 0.808 54.615 54.000 -0.322 0.000 0.690 123 D CB -2.082 38.573 40.800 -0.240 0.000 1.059 123 D HN 0.474 nan 8.370 nan 0.000 0.429 124 S N -1.378 114.162 115.700 -0.266 0.000 3.749 124 S HA -0.024 4.446 4.470 -0.000 0.000 0.348 124 S C 1.440 176.010 174.600 -0.051 0.000 1.045 124 S CA 1.439 59.553 58.200 -0.144 0.000 1.051 124 S CB -1.686 61.456 63.200 -0.096 0.000 0.898 124 S HN 1.854 nan 8.310 nan 0.000 0.472 125 G N 0.196 108.955 108.800 -0.070 0.000 2.176 125 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.253 125 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.253 125 G C 0.742 175.693 174.900 0.086 0.000 0.979 125 G CA 0.681 45.868 45.100 0.144 0.000 0.641 125 G HN 0.632 nan 8.290 nan 0.000 0.530 126 R N 0.144 120.643 120.500 -0.001 0.000 2.090 126 R HA 0.077 4.417 4.340 -0.000 0.000 0.228 126 R C -0.042 176.287 176.300 0.047 0.000 1.110 126 R CA 1.335 57.443 56.100 0.012 0.000 0.973 126 R CB -0.010 30.273 30.300 -0.027 0.000 0.869 126 R HN 0.397 nan 8.270 nan 0.000 0.440 127 D N -1.086 119.335 120.400 0.035 0.000 2.375 127 D HA -0.015 4.625 4.640 -0.000 0.000 0.247 127 D C -0.134 176.269 176.300 0.172 0.000 1.061 127 D CA -0.416 53.636 54.000 0.086 0.000 0.834 127 D CB 1.392 42.208 40.800 0.027 0.000 1.247 127 D HN 0.164 nan 8.370 nan 0.000 0.489 128 W N 3.016 124.337 121.300 0.035 0.000 2.407 128 W HA -0.068 4.592 4.660 -0.000 0.000 0.305 128 W C -0.074 176.477 176.519 0.053 0.000 1.196 128 W CA 0.485 57.865 57.345 0.058 0.000 1.311 128 W CB 0.477 29.962 29.460 0.042 0.000 1.135 128 W HN 0.318 nan 8.180 nan 0.000 0.514 129 E N 2.776 123.004 120.200 0.046 0.000 1.865 129 E HA 0.097 4.447 4.350 -0.000 0.000 0.269 129 E C 0.499 177.063 176.600 -0.059 0.000 1.177 129 E CA -0.351 55.998 56.400 -0.086 0.000 0.932 129 E CB 0.668 30.385 29.700 0.029 0.000 1.066 129 E HN -0.034 nan 8.360 nan 0.000 0.405 130 V N 0.052 119.897 119.914 -0.116 0.000 3.332 130 V HA -0.008 4.112 4.120 -0.000 0.000 0.305 130 V C 0.437 176.522 176.094 -0.016 0.000 1.114 130 V CA -0.360 61.896 62.300 -0.073 0.000 1.194 130 V CB 0.773 32.542 31.823 -0.090 0.000 1.027 130 V HN 0.437 nan 8.190 nan 0.000 0.492 131 D N 1.742 122.161 120.400 0.031 0.000 2.359 131 D HA 0.556 5.196 4.640 -0.000 0.000 0.230 131 D C 0.835 177.214 176.300 0.132 0.000 1.118 131 D CA 0.131 54.194 54.000 0.105 0.000 0.844 131 D CB 1.337 42.257 40.800 0.199 0.000 1.059 131 D HN 0.876 nan 8.370 nan 0.000 0.493 132 A N 3.704 126.563 122.820 0.064 0.000 2.131 132 A HA -0.048 4.272 4.320 -0.000 0.000 0.220 132 A C 1.980 179.571 177.584 0.013 0.000 1.158 132 A CA 1.542 53.602 52.037 0.038 0.000 0.665 132 A CB -0.329 18.675 19.000 0.007 0.000 0.795 132 A HN 0.620 nan 8.150 nan 0.000 0.460 133 A N -2.017 120.804 122.820 0.001 0.000 2.172 133 A HA -0.014 4.306 4.320 -0.000 0.000 0.216 133 A C 1.210 178.578 177.584 -0.359 0.000 1.154 133 A CA 0.767 52.700 52.037 -0.173 0.000 0.701 133 A CB -0.608 18.268 19.000 -0.207 0.000 0.789 133 A HN 0.729 nan 8.150 nan 0.000 0.465 134 W N -0.632 120.650 121.300 -0.029 0.000 2.862 134 W HA 0.437 5.097 4.660 -0.000 0.000 0.426 134 W C 0.009 176.516 176.519 -0.020 0.000 0.950 134 W CA -0.578 56.751 57.345 -0.027 0.000 2.150 134 W CB 0.199 29.636 29.460 -0.038 0.000 1.161 134 W HN -0.009 nan 8.180 nan 0.000 0.696 135 L N 2.416 123.697 121.223 0.095 0.000 2.369 135 L HA 0.204 4.544 4.340 -0.000 0.000 0.279 135 L C 1.044 177.939 176.870 0.042 0.000 1.108 135 L CA 0.120 55.001 54.840 0.069 0.000 0.852 135 L CB 0.822 42.897 42.059 0.027 0.000 1.169 135 L HN -0.126 nan 8.230 nan 0.000 0.452 136 S N 4.681 120.428 115.700 0.079 0.000 2.568 136 S HA 0.055 4.525 4.470 -0.000 0.000 0.282 136 S C 1.475 176.041 174.600 -0.056 0.000 1.338 136 S CA -0.407 57.824 58.200 0.053 0.000 1.045 136 S CB 0.639 63.950 63.200 0.185 0.000 0.873 136 S HN 0.790 nan 8.310 nan 0.000 0.516 137 R N 2.834 123.205 120.500 -0.215 0.000 2.276 137 R HA 0.027 4.367 4.340 -0.000 0.000 0.203 137 R C 0.258 176.363 176.300 -0.325 0.000 1.017 137 R CA 0.937 56.862 56.100 -0.292 0.000 1.010 137 R CB -0.451 29.622 30.300 -0.377 0.000 0.900 137 R HN 0.716 nan 8.270 nan 0.000 0.469 138 H N -0.224 118.807 119.070 -0.066 0.000 2.594 138 H HA 0.158 4.714 4.556 -0.000 0.000 0.279 138 H C 1.289 176.331 175.328 -0.478 0.000 1.042 138 H CA -0.129 55.766 56.048 -0.254 0.000 1.177 138 H CB 0.494 30.060 29.762 -0.327 0.000 1.524 138 H HN 0.102 nan 8.280 nan 0.000 0.537 139 M N 0.451 119.994 119.600 -0.095 0.000 2.106 139 M HA -0.176 4.304 4.480 -0.000 0.000 0.259 139 M C 1.826 178.101 176.300 -0.043 0.000 1.068 139 M CA 1.372 56.663 55.300 -0.015 0.000 1.100 139 M CB -0.657 31.995 32.600 0.086 0.000 1.351 139 M HN 0.168 nan 8.290 nan 0.000 0.404 140 F N 0.601 120.481 119.950 -0.115 0.000 2.216 140 F HA -0.207 4.320 4.527 -0.000 0.000 0.300 140 F C 1.602 177.341 175.800 -0.101 0.000 1.085 140 F CA 1.799 59.753 58.000 -0.077 0.000 1.326 140 F CB -0.327 38.641 39.000 -0.054 0.000 1.027 140 F HN 0.222 nan 8.300 nan 0.000 0.497 141 D N -1.379 118.941 120.400 -0.134 0.000 2.363 141 D HA -0.112 4.528 4.640 -0.000 0.000 0.226 141 D C 1.481 177.668 176.300 -0.187 0.000 1.020 141 D CA 0.890 54.778 54.000 -0.187 0.000 0.892 141 D CB -0.216 40.489 40.800 -0.158 0.000 0.900 141 D HN 0.462 nan 8.370 nan 0.000 0.531 142 Y N -0.297 119.968 120.300 -0.059 0.000 2.524 142 Y HA 0.054 4.604 4.550 -0.000 0.000 0.270 142 Y C 2.116 177.939 175.900 -0.129 0.000 1.094 142 Y CA -0.447 57.610 58.100 -0.072 0.000 1.276 142 Y CB 0.352 38.795 38.460 -0.028 0.000 1.130 142 Y HN -0.103 nan 8.280 nan 0.000 0.536 143 L N -0.072 121.095 121.223 -0.093 0.000 2.072 143 L HA 0.057 4.397 4.340 -0.000 0.000 0.205 143 L C 0.400 177.100 176.870 -0.283 0.000 1.079 143 L CA 1.355 56.075 54.840 -0.200 0.000 0.752 143 L CB 0.100 41.977 42.059 -0.303 0.000 0.906 143 L HN -0.144 nan 8.230 nan 0.000 0.436 144 V N 1.131 120.789 119.914 -0.426 0.000 2.305 144 V HA 0.296 4.416 4.120 -0.000 0.000 0.275 144 V C -1.657 174.330 176.094 -0.178 0.000 1.020 144 V CA -0.970 61.133 62.300 -0.329 0.000 0.811 144 V CB 0.815 32.341 31.823 -0.495 0.000 1.031 144 V HN 0.111 nan 8.190 nan 0.000 0.439 145 P HA -0.106 nan 4.420 nan 0.000 0.227 145 P C 1.692 178.956 177.300 -0.059 0.000 1.145 145 P CA 0.965 64.029 63.100 -0.059 0.000 0.769 145 P CB 0.203 31.871 31.700 -0.053 0.000 0.769 146 S N -0.557 115.108 115.700 -0.058 0.000 2.413 146 S HA -0.187 4.283 4.470 -0.000 0.000 0.237 146 S C 1.904 176.455 174.600 -0.082 0.000 1.044 146 S CA 1.284 59.453 58.200 -0.053 0.000 1.024 146 S CB -1.312 61.878 63.200 -0.016 0.000 0.829 146 S HN 0.115 nan 8.310 nan 0.000 0.475 147 V N 1.706 121.579 119.914 -0.068 0.000 2.568 147 V HA -0.223 3.897 4.120 -0.000 0.000 0.253 147 V C 1.849 177.839 176.094 -0.174 0.000 1.072 147 V CA 1.692 63.926 62.300 -0.109 0.000 1.084 147 V CB -0.490 31.312 31.823 -0.036 0.000 0.676 147 V HN 0.518 nan 8.190 nan 0.000 0.469 148 M N 0.105 119.634 119.600 -0.118 0.000 2.065 148 M HA -0.120 4.359 4.480 -0.000 0.000 0.259 148 M C 0.056 176.262 176.300 -0.157 0.000 1.071 148 M CA 2.660 57.891 55.300 -0.115 0.000 1.109 148 M CB -1.658 30.895 32.600 -0.079 0.000 1.313 148 M HN 0.307 nan 8.290 nan 0.000 0.408 149 P HA -0.061 nan 4.420 nan 0.000 0.218 149 P C 0.993 178.122 177.300 -0.284 0.000 1.149 149 P CA 1.701 64.705 63.100 -0.161 0.000 0.817 149 P CB -0.199 31.430 31.700 -0.118 0.000 0.785 150 A N -0.153 122.412 122.820 -0.426 0.000 1.902 150 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 150 A C 2.308 179.177 177.584 -1.193 0.000 1.181 150 A CA 1.738 53.266 52.037 -0.848 0.000 0.623 150 A CB -1.271 17.167 19.000 -0.936 0.000 0.818 150 A HN 0.066 nan 8.150 nan 0.000 0.443 151 E N -0.188 119.569 120.200 -0.737 0.000 2.085 151 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 151 E C 1.945 178.463 176.600 -0.138 0.000 0.994 151 E CA 1.476 57.675 56.400 -0.334 0.000 0.801 151 E CB -0.364 29.271 29.700 -0.108 0.000 0.743 151 E HN 0.294 nan 8.360 nan 0.000 0.453 152 V N 0.418 120.234 119.914 -0.163 0.000 2.307 152 V HA -0.224 3.896 4.120 -0.000 0.000 0.245 152 V C 2.291 178.304 176.094 -0.135 0.000 1.045 152 V CA 1.681 63.923 62.300 -0.096 0.000 1.024 152 V CB -0.922 30.853 31.823 -0.079 0.000 0.651 152 V HN 0.396 nan 8.190 nan 0.000 0.449 153 A N -0.406 122.292 122.820 -0.202 0.000 1.948 153 A HA -0.246 4.074 4.320 -0.000 0.000 0.220 153 A C 1.967 179.562 177.584 0.017 0.000 1.177 153 A CA 2.090 54.042 52.037 -0.142 0.000 0.636 153 A CB -0.702 18.186 19.000 -0.187 0.000 0.815 153 A HN 0.682 nan 8.150 nan 0.000 0.449 154 W N -0.698 120.592 121.300 -0.016 0.000 2.436 154 W HA 0.120 4.780 4.660 -0.000 0.000 0.284 154 W C 2.695 179.204 176.519 -0.016 0.000 1.225 154 W CA 0.466 57.807 57.345 -0.006 0.000 1.271 154 W CB -1.195 28.271 29.460 0.011 0.000 1.114 154 W HN 0.458 nan 8.180 nan 0.000 0.559 155 A N 0.510 123.443 122.820 0.189 0.000 1.929 155 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 155 A C 2.016 179.616 177.584 0.028 0.000 1.176 155 A CA 2.364 54.457 52.037 0.093 0.000 0.628 155 A CB -0.911 18.133 19.000 0.074 0.000 0.816 155 A HN 0.126 nan 8.150 nan 0.000 0.444 156 V N -4.077 115.800 119.914 -0.061 0.000 3.590 156 V HA 0.514 4.634 4.120 -0.000 0.000 0.265 156 V C 1.266 177.391 176.094 0.052 0.000 1.239 156 V CA 0.680 62.921 62.300 -0.098 0.000 1.117 156 V CB -0.757 30.483 31.823 -0.970 0.000 0.818 156 V HN 1.544 nan 8.190 nan 0.000 0.451 157 G N 0.424 109.259 108.800 0.058 0.000 2.212 157 G HA2 0.012 3.972 3.960 -0.000 0.000 0.255 157 G HA3 0.012 3.972 3.960 -0.000 0.000 0.255 157 G C 0.171 175.126 174.900 0.092 0.000 1.062 157 G CA 0.188 45.350 45.100 0.104 0.000 0.815 157 G HN 1.642 nan 8.290 nan 0.000 0.497 158 A N -0.494 122.360 122.820 0.057 0.000 2.331 158 A HA 0.767 5.087 4.320 -0.000 0.000 0.283 158 A C 0.792 178.423 177.584 0.080 0.000 1.142 158 A CA 0.248 52.325 52.037 0.066 0.000 0.812 158 A CB 0.537 19.558 19.000 0.035 0.000 1.074 158 A HN 0.498 nan 8.150 nan 0.000 0.497 159 E N 1.775 122.022 120.200 0.078 0.000 2.715 159 E HA 0.173 4.523 4.350 -0.000 0.000 0.224 159 E C 0.898 177.533 176.600 0.058 0.000 0.962 159 E CA 0.128 56.572 56.400 0.073 0.000 1.145 159 E CB 1.043 30.788 29.700 0.075 0.000 1.083 159 E HN 0.796 nan 8.360 nan 0.000 0.506 160 G N 1.946 110.778 108.800 0.054 0.000 2.695 160 G HA2 0.302 4.262 3.960 -0.000 0.000 0.213 160 G HA3 0.302 4.262 3.960 -0.000 0.000 0.213 160 G C -2.481 172.440 174.900 0.035 0.000 1.406 160 G CA -1.036 44.091 45.100 0.044 0.000 1.049 160 G HN -0.152 nan 8.290 nan 0.000 0.573 161 P HA 0.295 nan 4.420 nan 0.000 0.262 161 P C -0.804 176.506 177.300 0.016 0.000 1.199 161 P CA 0.125 63.237 63.100 0.020 0.000 0.763 161 P CB 1.001 32.711 31.700 0.017 0.000 0.790 162 V N 3.853 123.771 119.914 0.006 0.000 2.577 162 V HA 0.706 4.826 4.120 -0.000 0.000 0.303 162 V C 0.106 176.188 176.094 -0.021 0.000 1.042 162 V CA -0.133 62.160 62.300 -0.011 0.000 0.872 162 V CB 2.127 33.932 31.823 -0.030 0.000 0.998 162 V HN 0.609 nan 8.190 nan 0.000 0.423 163 T N 4.440 118.978 114.554 -0.026 0.000 2.700 163 T HA 0.553 4.903 4.350 -0.000 0.000 0.307 163 T C -1.680 172.999 174.700 -0.035 0.000 1.580 163 T CA -0.492 61.591 62.100 -0.028 0.000 0.992 163 T CB 1.746 70.605 68.868 -0.015 0.000 1.577 163 T HN 0.673 nan 8.240 nan 0.000 0.496 164 M N 2.796 122.375 119.600 -0.036 0.000 2.364 164 M HA 0.760 5.240 4.480 -0.000 0.000 0.334 164 M C -1.728 174.549 176.300 -0.037 0.000 1.107 164 M CA -0.615 54.661 55.300 -0.041 0.000 0.988 164 M CB 1.528 34.100 32.600 -0.047 0.000 1.673 164 M HN 0.409 nan 8.290 nan 0.000 0.441 165 V N 3.165 123.053 119.914 -0.044 0.000 2.409 165 V HA 0.457 4.577 4.120 -0.000 0.000 0.291 165 V C -0.497 175.553 176.094 -0.073 0.000 1.020 165 V CA -0.531 61.736 62.300 -0.054 0.000 0.848 165 V CB 1.528 33.317 31.823 -0.056 0.000 0.990 165 V HN 0.870 nan 8.190 nan 0.000 0.430 166 S N 3.182 118.831 115.700 -0.085 0.000 2.399 166 S HA 0.366 4.836 4.470 -0.000 0.000 0.215 166 S C 0.360 174.866 174.600 -0.157 0.000 1.456 166 S CA -0.235 57.909 58.200 -0.093 0.000 1.199 166 S CB 0.336 63.503 63.200 -0.055 0.000 1.063 166 S HN 0.948 nan 8.310 nan 0.000 0.476 167 T N 0.947 115.337 114.554 -0.273 0.000 3.316 167 T HA 0.611 4.961 4.350 -0.000 0.000 0.253 167 T C 1.157 175.609 174.700 -0.413 0.000 0.995 167 T CA 0.031 61.762 62.100 -0.616 0.000 1.031 167 T CB 0.026 68.267 68.868 -1.046 0.000 1.125 167 T HN 1.090 nan 8.240 nan 0.000 0.539 168 G N 1.153 109.877 108.800 -0.126 0.000 2.574 168 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.286 168 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.286 168 G C 0.905 175.778 174.900 -0.046 0.000 1.212 168 G CA -0.048 45.046 45.100 -0.010 0.000 0.979 168 G HN 0.752 nan 8.290 nan 0.000 0.557 169 C N 1.345 120.628 119.300 -0.028 0.000 2.536 169 C HA 0.425 4.885 4.460 -0.000 0.000 0.285 169 C C 2.284 177.311 174.990 0.061 0.000 1.371 169 C CA 1.415 60.444 59.018 0.018 0.000 1.675 169 C CB -2.038 25.729 27.740 0.046 0.000 1.689 169 C HN 1.101 nan 8.230 nan 0.000 0.589 170 T N -4.390 110.159 114.554 -0.007 0.000 3.145 170 T HA 0.081 4.431 4.350 -0.000 0.000 0.281 170 T C 1.289 175.969 174.700 -0.033 0.000 1.003 170 T CA 0.252 62.354 62.100 0.005 0.000 0.901 170 T CB -0.140 68.736 68.868 0.014 0.000 1.112 170 T HN 0.243 nan 8.240 nan 0.000 0.535 171 S N 1.620 117.283 115.700 -0.061 0.000 2.382 171 S HA 0.039 4.509 4.470 -0.000 0.000 0.228 171 S C 2.357 176.949 174.600 -0.013 0.000 1.027 171 S CA 1.359 59.519 58.200 -0.067 0.000 0.991 171 S CB -0.857 62.301 63.200 -0.069 0.000 0.823 171 S HN 0.758 nan 8.310 nan 0.000 0.469 172 G N 0.955 109.769 108.800 0.023 0.000 2.450 172 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.220 172 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.220 172 G C 1.237 176.180 174.900 0.071 0.000 1.130 172 G CA 0.712 45.846 45.100 0.058 0.000 0.760 172 G HN 0.370 nan 8.290 nan 0.000 0.557 173 L N 0.310 121.576 121.223 0.071 0.000 2.253 173 L HA 0.217 4.557 4.340 -0.000 0.000 0.205 173 L C 2.128 179.016 176.870 0.029 0.000 1.078 173 L CA 0.991 55.882 54.840 0.084 0.000 0.805 173 L CB -0.183 41.974 42.059 0.163 0.000 0.963 173 L HN 0.026 nan 8.230 nan 0.000 0.459 174 D N -0.838 119.594 120.400 0.054 0.000 2.178 174 D HA -0.130 4.510 4.640 -0.000 0.000 0.202 174 D C 2.272 178.508 176.300 -0.107 0.000 0.974 174 D CA 1.448 55.460 54.000 0.020 0.000 0.841 174 D CB 0.030 40.852 40.800 0.037 0.000 0.953 174 D HN 0.381 nan 8.370 nan 0.000 0.478 175 S N 0.283 115.939 115.700 -0.073 0.000 2.355 175 S HA -0.110 4.360 4.470 -0.000 0.000 0.222 175 S C 2.292 176.831 174.600 -0.102 0.000 1.031 175 S CA 0.846 59.006 58.200 -0.066 0.000 0.993 175 S CB -0.747 62.439 63.200 -0.023 0.000 0.859 175 S HN 0.084 nan 8.310 nan 0.000 0.453 176 V N 2.611 122.460 119.914 -0.107 0.000 2.307 176 V HA -0.031 4.089 4.120 -0.000 0.000 0.245 176 V C 2.962 178.866 176.094 -0.317 0.000 1.045 176 V CA 1.839 64.054 62.300 -0.141 0.000 1.024 176 V CB -1.755 30.003 31.823 -0.109 0.000 0.651 176 V HN 0.650 nan 8.190 nan 0.000 0.449 177 G N 0.092 108.525 108.800 -0.612 0.000 2.450 177 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.220 177 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.220 177 G C 1.423 175.942 174.900 -0.635 0.000 1.130 177 G CA 1.302 45.659 45.100 -1.239 0.000 0.760 177 G HN 0.595 nan 8.290 nan 0.000 0.557 178 N N 0.989 119.476 118.700 -0.355 0.000 2.142 178 N HA 0.047 4.787 4.740 -0.000 0.000 0.186 178 N C 2.372 177.817 175.510 -0.108 0.000 1.023 178 N CA 1.633 54.596 53.050 -0.146 0.000 0.852 178 N CB -0.392 38.047 38.487 -0.080 0.000 0.998 178 N HN 0.217 nan 8.380 nan 0.000 0.424 179 A N 0.082 122.832 122.820 -0.117 0.000 1.902 179 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 179 A C 2.394 179.928 177.584 -0.083 0.000 1.181 179 A CA 1.602 53.592 52.037 -0.077 0.000 0.623 179 A CB -0.955 18.005 19.000 -0.067 0.000 0.818 179 A HN 0.191 nan 8.150 nan 0.000 0.443 180 V N 0.394 120.233 119.914 -0.125 0.000 2.287 180 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 180 V C 2.683 178.746 176.094 -0.052 0.000 1.053 180 V CA 2.092 64.334 62.300 -0.097 0.000 1.027 180 V CB -0.800 30.948 31.823 -0.126 0.000 0.646 180 V HN 0.467 nan 8.190 nan 0.000 0.447 181 R N 0.273 120.745 120.500 -0.046 0.000 2.152 181 R HA -0.030 4.310 4.340 -0.000 0.000 0.232 181 R C 2.274 178.572 176.300 -0.003 0.000 1.117 181 R CA 1.403 57.502 56.100 -0.002 0.000 0.981 181 R CB -1.172 29.142 30.300 0.023 0.000 0.870 181 R HN 0.564 nan 8.270 nan 0.000 0.451 182 A N 0.909 123.720 122.820 -0.016 0.000 1.897 182 A HA -0.042 4.278 4.320 -0.000 0.000 0.215 182 A C 2.258 179.839 177.584 -0.005 0.000 1.181 182 A CA 0.910 52.943 52.037 -0.007 0.000 0.620 182 A CB -0.325 18.669 19.000 -0.010 0.000 0.821 182 A HN 0.177 nan 8.150 nan 0.000 0.443 183 I N -0.456 120.105 120.570 -0.014 0.000 2.439 183 I HA -0.194 3.976 4.170 -0.000 0.000 0.251 183 I C 2.397 178.514 176.117 0.001 0.000 1.139 183 I CA 1.112 62.406 61.300 -0.009 0.000 1.438 183 I CB -0.385 37.603 38.000 -0.020 0.000 1.085 183 I HN 0.422 nan 8.210 nan 0.000 0.427 184 E N 1.206 121.407 120.200 0.001 0.000 2.031 184 E HA -0.263 4.087 4.350 -0.000 0.000 0.193 184 E C 1.711 178.319 176.600 0.013 0.000 0.994 184 E CA 1.537 57.942 56.400 0.009 0.000 0.800 184 E CB -0.198 29.509 29.700 0.012 0.000 0.752 184 E HN 0.611 nan 8.360 nan 0.000 0.447 185 E N 0.373 120.580 120.200 0.013 0.000 2.512 185 E HA 0.030 4.380 4.350 -0.000 0.000 0.195 185 E C 0.831 177.439 176.600 0.014 0.000 1.083 185 E CA 0.447 56.855 56.400 0.015 0.000 0.873 185 E CB -0.071 29.639 29.700 0.016 0.000 0.897 185 E HN 0.248 nan 8.360 nan 0.000 0.514 186 G N 0.769 109.576 108.800 0.012 0.000 2.198 186 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.260 186 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.260 186 G C 0.754 175.662 174.900 0.013 0.000 1.025 186 G CA 0.518 45.625 45.100 0.013 0.000 0.769 186 G HN 0.341 nan 8.290 nan 0.000 0.507 187 S N -0.719 114.989 115.700 0.012 0.000 2.528 187 S HA 0.607 5.077 4.470 -0.000 0.000 0.219 187 S C 1.059 175.668 174.600 0.016 0.000 0.985 187 S CA 1.314 59.523 58.200 0.014 0.000 0.914 187 S CB 0.255 63.464 63.200 0.014 0.000 0.776 187 S HN 1.881 nan 8.310 nan 0.000 0.526 188 A N 0.207 123.034 122.820 0.012 0.000 2.601 188 A HA 0.584 4.904 4.320 -0.000 0.000 0.291 188 A C -1.024 176.564 177.584 0.007 0.000 1.075 188 A CA -0.587 51.458 52.037 0.014 0.000 0.671 188 A CB 0.398 19.406 19.000 0.014 0.000 1.277 188 A HN 0.041 nan 8.150 nan 0.000 0.417 189 D N -0.737 119.667 120.400 0.006 0.000 2.455 189 D HA 0.265 4.905 4.640 -0.000 0.000 0.228 189 D C 0.070 176.355 176.300 -0.025 0.000 1.070 189 D CA 1.032 55.031 54.000 -0.003 0.000 0.881 189 D CB 0.970 41.774 40.800 0.005 0.000 1.087 189 D HN 0.265 nan 8.370 nan 0.000 0.498 190 V N 1.986 121.882 119.914 -0.029 0.000 2.656 190 V HA 0.475 4.595 4.120 -0.000 0.000 0.307 190 V C -0.456 175.591 176.094 -0.078 0.000 1.051 190 V CA -0.572 61.674 62.300 -0.089 0.000 0.893 190 V CB 2.628 34.397 31.823 -0.091 0.000 0.999 190 V HN -0.028 nan 8.190 nan 0.000 0.426 191 M N 4.026 123.522 119.600 -0.173 0.000 2.386 191 M HA 0.551 5.031 4.480 -0.000 0.000 0.293 191 M C -1.545 174.612 176.300 -0.238 0.000 1.120 191 M CA -0.299 54.944 55.300 -0.095 0.000 0.909 191 M CB 2.096 34.662 32.600 -0.056 0.000 1.661 191 M HN 0.515 nan 8.290 nan 0.000 0.452 192 F N 1.949 121.865 119.950 -0.057 0.000 2.332 192 F HA 0.686 5.213 4.527 -0.000 0.000 0.368 192 F C 0.400 176.187 175.800 -0.022 0.000 1.110 192 F CA -0.394 57.574 58.000 -0.053 0.000 1.087 192 F CB 1.233 40.190 39.000 -0.070 0.000 1.235 192 F HN 0.626 nan 8.300 nan 0.000 0.470 193 A N 2.482 125.367 122.820 0.109 0.000 2.413 193 A HA 1.000 5.320 4.320 -0.000 0.000 0.307 193 A C -0.104 177.567 177.584 0.146 0.000 1.087 193 A CA -0.138 51.961 52.037 0.103 0.000 0.750 193 A CB 1.595 20.631 19.000 0.061 0.000 1.296 193 A HN 0.988 nan 8.150 nan 0.000 0.423 194 G N -1.206 107.656 108.800 0.103 0.000 2.344 194 G HA2 0.719 4.679 3.960 -0.000 0.000 0.282 194 G HA3 0.719 4.679 3.960 -0.000 0.000 0.282 194 G C -0.879 174.041 174.900 0.033 0.000 1.281 194 G CA 0.316 45.463 45.100 0.078 0.000 0.877 194 G HN 2.251 nan 8.290 nan 0.000 0.494 195 A N -1.539 121.284 122.820 0.005 0.000 2.609 195 A HA 1.130 5.450 4.320 -0.000 0.000 0.291 195 A C -0.477 177.096 177.584 -0.019 0.000 1.096 195 A CA 0.361 52.395 52.037 -0.004 0.000 0.684 195 A CB 1.350 20.356 19.000 0.011 0.000 1.282 195 A HN 2.613 nan 8.150 nan 0.000 0.412 196 A N 0.708 123.509 122.820 -0.032 0.000 2.547 196 A HA 0.777 5.097 4.320 -0.000 0.000 0.297 196 A C -1.927 175.602 177.584 -0.093 0.000 1.056 196 A CA -0.398 51.610 52.037 -0.048 0.000 0.688 196 A CB 1.584 20.561 19.000 -0.038 0.000 1.282 196 A HN 0.721 nan 8.150 nan 0.000 0.400 197 D N 0.974 121.294 120.400 -0.134 0.000 2.837 197 D HA 0.576 5.216 4.640 -0.000 0.000 0.220 197 D C -1.111 175.039 176.300 -0.250 0.000 1.236 197 D CA 0.218 54.124 54.000 -0.158 0.000 0.838 197 D CB 2.295 43.036 40.800 -0.098 0.000 1.647 197 D HN 0.680 nan 8.370 nan 0.000 0.486 198 T N -0.815 113.579 114.554 -0.266 0.000 3.418 198 T HA 0.356 4.706 4.350 -0.000 0.000 0.315 198 T C -2.263 172.350 174.700 -0.144 0.000 1.447 198 T CA -1.083 60.836 62.100 -0.302 0.000 1.641 198 T CB 1.601 70.160 68.868 -0.514 0.000 0.904 198 T HN 0.082 nan 8.240 nan 0.000 0.640 199 P HA 0.308 nan 4.420 nan 0.000 0.255 199 P C 0.477 177.828 177.300 0.085 0.000 1.248 199 P CA -0.232 62.876 63.100 0.013 0.000 0.807 199 P CB 0.156 31.884 31.700 0.047 0.000 1.150 200 I N 0.945 121.596 120.570 0.134 0.000 2.624 200 I HA 0.066 4.236 4.170 -0.000 0.000 0.307 200 I C 0.459 176.793 176.117 0.362 0.000 1.191 200 I CA 0.739 62.185 61.300 0.243 0.000 1.708 200 I CB -0.820 37.349 38.000 0.281 0.000 1.521 200 I HN -0.061 nan 8.210 nan 0.000 0.805 201 T N 4.782 119.471 114.554 0.226 0.000 2.982 201 T HA 0.300 4.650 4.350 -0.000 0.000 0.321 201 T C -2.030 172.547 174.700 -0.205 0.000 1.229 201 T CA -1.472 60.640 62.100 0.020 0.000 1.044 201 T CB 2.023 70.858 68.868 -0.055 0.000 1.184 201 T HN 0.028 nan 8.240 nan 0.000 0.477 202 P HA -0.157 nan 4.420 nan 0.000 0.219 202 P C 1.483 178.640 177.300 -0.240 0.000 1.158 202 P CA 0.963 63.714 63.100 -0.581 0.000 0.895 202 P CB 0.059 31.467 31.700 -0.487 0.000 0.792 203 I N -1.120 119.352 120.570 -0.163 0.000 2.286 203 I HA -0.184 3.986 4.170 -0.000 0.000 0.248 203 I C 1.891 177.945 176.117 -0.106 0.000 1.115 203 I CA 1.612 62.846 61.300 -0.110 0.000 1.392 203 I CB -0.654 37.272 38.000 -0.123 0.000 1.065 203 I HN -0.219 nan 8.210 nan 0.000 0.418 204 V N -0.596 119.263 119.914 -0.091 0.000 2.379 204 V HA -0.183 3.937 4.120 -0.000 0.000 0.245 204 V C 2.509 178.613 176.094 0.017 0.000 1.044 204 V CA 1.488 63.745 62.300 -0.073 0.000 1.036 204 V CB -0.562 31.279 31.823 0.031 0.000 0.664 204 V HN 0.287 nan 8.190 nan 0.000 0.453 205 V N 0.571 120.506 119.914 0.035 0.000 2.332 205 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 205 V C 2.720 178.864 176.094 0.084 0.000 1.055 205 V CA 2.190 64.529 62.300 0.064 0.000 1.038 205 V CB -1.021 30.736 31.823 -0.111 0.000 0.651 205 V HN 0.559 nan 8.190 nan 0.000 0.450 206 A N -0.181 122.670 122.820 0.052 0.000 1.930 206 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 206 A C 2.453 180.069 177.584 0.054 0.000 1.175 206 A CA 1.867 53.988 52.037 0.140 0.000 0.627 206 A CB -1.046 18.058 19.000 0.172 0.000 0.815 206 A HN 0.793 nan 8.150 nan 0.000 0.443 207 C N -1.912 117.357 119.300 -0.051 0.000 2.425 207 C HA -0.012 4.448 4.460 -0.000 0.000 0.277 207 C C 2.277 177.209 174.990 -0.096 0.000 1.280 207 C CA 0.961 59.897 59.018 -0.136 0.000 1.744 207 C CB -1.768 25.804 27.740 -0.280 0.000 1.989 207 C HN 0.436 nan 8.230 nan 0.000 0.491 208 F N 1.762 121.758 119.950 0.077 0.000 2.367 208 F HA 0.084 4.611 4.527 -0.000 0.000 0.298 208 F C 2.248 178.057 175.800 0.015 0.000 1.094 208 F CA 1.547 59.590 58.000 0.072 0.000 1.409 208 F CB -0.697 38.325 39.000 0.036 0.000 1.064 208 F HN 0.205 nan 8.300 nan 0.000 0.528 209 D N 0.120 120.631 120.400 0.185 0.000 2.117 209 D HA -0.120 4.520 4.640 -0.000 0.000 0.198 209 D C 2.410 178.763 176.300 0.089 0.000 0.982 209 D CA 1.334 55.406 54.000 0.119 0.000 0.828 209 D CB -0.532 40.349 40.800 0.134 0.000 0.967 209 D HN 0.185 nan 8.370 nan 0.000 0.464 210 A N 1.089 123.955 122.820 0.077 0.000 1.948 210 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 210 A C 2.172 179.785 177.584 0.048 0.000 1.177 210 A CA 1.536 53.600 52.037 0.046 0.000 0.636 210 A CB -0.751 18.261 19.000 0.019 0.000 0.815 210 A HN 0.478 nan 8.150 nan 0.000 0.449 211 I N -6.082 114.537 120.570 0.082 0.000 4.018 211 I HA 0.345 4.515 4.170 -0.000 0.000 0.337 211 I C 0.451 176.623 176.117 0.093 0.000 1.327 211 I CA -0.232 61.118 61.300 0.085 0.000 1.100 211 I CB 0.085 38.152 38.000 0.113 0.000 1.025 211 I HN 0.139 nan 8.210 nan 0.000 0.396 212 R N 1.104 121.653 120.500 0.082 0.000 3.416 212 R HA -0.211 4.129 4.340 -0.000 0.000 0.263 212 R C 1.168 177.480 176.300 0.019 0.000 1.053 212 R CA 0.463 56.587 56.100 0.040 0.000 0.705 212 R CB -1.890 28.424 30.300 0.024 0.000 1.124 212 R HN 0.681 nan 8.270 nan 0.000 0.444 213 A N -0.178 122.669 122.820 0.046 0.000 2.072 213 A HA 0.005 4.325 4.320 -0.000 0.000 0.216 213 A C 1.157 178.469 177.584 -0.453 0.000 1.156 213 A CA 1.336 53.366 52.037 -0.011 0.000 0.701 213 A CB 0.123 19.293 19.000 0.283 0.000 0.816 213 A HN 0.496 nan 8.150 nan 0.000 0.458 214 T N -2.693 111.530 114.554 -0.552 0.000 2.934 214 T HA 0.463 4.813 4.350 -0.000 0.000 0.283 214 T C 0.157 174.673 174.700 -0.307 0.000 1.005 214 T CA -0.005 61.665 62.100 -0.717 0.000 1.041 214 T CB 1.187 69.673 68.868 -0.637 0.000 1.042 214 T HN 0.118 nan 8.240 nan 0.000 0.505 215 T N 0.141 114.550 114.554 -0.241 0.000 2.918 215 T HA 0.430 4.780 4.350 -0.000 0.000 0.302 215 T C 0.994 175.647 174.700 -0.079 0.000 1.045 215 T CA -0.186 61.844 62.100 -0.117 0.000 1.114 215 T CB 0.061 68.882 68.868 -0.078 0.000 0.965 215 T HN 0.874 nan 8.240 nan 0.000 0.540 216 A N 4.393 127.186 122.820 -0.044 0.000 2.500 216 A HA 0.309 4.629 4.320 -0.000 0.000 0.267 216 A C 1.285 178.861 177.584 -0.014 0.000 1.290 216 A CA -0.316 51.708 52.037 -0.022 0.000 0.928 216 A CB -0.155 18.839 19.000 -0.011 0.000 1.066 216 A HN 0.807 nan 8.150 nan 0.000 0.516 217 R N 1.230 121.719 120.500 -0.018 0.000 4.496 217 R HA 0.103 4.443 4.340 -0.000 0.000 0.211 217 R C -0.161 176.134 176.300 -0.009 0.000 1.738 217 R CA -0.215 55.881 56.100 -0.007 0.000 1.528 217 R CB -0.419 29.881 30.300 -0.001 0.000 1.414 217 R HN 0.385 nan 8.270 nan 0.000 0.812 218 N N 1.165 119.860 118.700 -0.009 0.000 2.512 218 N HA -0.153 4.587 4.740 -0.000 0.000 0.183 218 N C 0.618 176.122 175.510 -0.010 0.000 1.073 218 N CA 0.851 53.893 53.050 -0.013 0.000 0.911 218 N CB 0.157 38.640 38.487 -0.007 0.000 0.964 218 N HN 0.629 nan 8.380 nan 0.000 0.447 219 D N -0.238 120.161 120.400 -0.001 0.000 2.234 219 D HA -0.105 4.535 4.640 -0.000 0.000 0.205 219 D C -0.102 176.205 176.300 0.011 0.000 0.962 219 D CA 0.730 54.733 54.000 0.005 0.000 0.855 219 D CB 0.002 40.808 40.800 0.009 0.000 0.951 219 D HN -0.066 nan 8.370 nan 0.000 0.500 220 D N 0.224 120.634 120.400 0.017 0.000 2.513 220 D HA 0.240 4.880 4.640 -0.000 0.000 0.295 220 D C -1.965 174.335 176.300 -0.000 0.000 1.202 220 D CA -2.284 51.739 54.000 0.038 0.000 0.849 220 D CB 1.669 42.528 40.800 0.098 0.000 1.116 220 D HN -0.183 nan 8.370 nan 0.000 0.502 221 P HA -0.153 nan 4.420 nan 0.000 0.213 221 P C 0.926 178.150 177.300 -0.127 0.000 1.170 221 P CA 1.206 64.260 63.100 -0.075 0.000 0.902 221 P CB 0.441 32.092 31.700 -0.081 0.000 0.789 222 E N -1.716 118.346 120.200 -0.229 0.000 2.273 222 E HA -0.187 4.163 4.350 -0.000 0.000 0.198 222 E C 0.945 177.226 176.600 -0.531 0.000 1.002 222 E CA 1.144 57.295 56.400 -0.414 0.000 0.828 222 E CB -0.698 28.643 29.700 -0.599 0.000 0.747 222 E HN 0.529 nan 8.360 nan 0.000 0.491 223 H N -2.108 116.957 119.070 -0.008 0.000 2.567 223 H HA 0.488 5.044 4.556 -0.000 0.000 0.267 223 H C 1.026 176.350 175.328 -0.007 0.000 1.148 223 H CA 0.368 56.413 56.048 -0.005 0.000 1.031 223 H CB 0.478 30.238 29.762 -0.004 0.000 1.691 223 H HN 0.156 nan 8.280 nan 0.000 0.588 224 A N 0.747 123.591 122.820 0.041 0.000 1.929 224 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 224 A C 1.557 179.153 177.584 0.020 0.000 1.176 224 A CA 0.768 52.817 52.037 0.021 0.000 0.628 224 A CB 0.037 19.030 19.000 -0.013 0.000 0.816 224 A HN 0.200 nan 8.150 nan 0.000 0.444 225 S N 0.853 116.567 115.700 0.023 0.000 2.400 225 S HA 0.403 4.873 4.470 -0.000 0.000 0.295 225 S C 0.120 174.737 174.600 0.027 0.000 1.113 225 S CA -0.710 57.504 58.200 0.023 0.000 1.064 225 S CB -0.242 62.974 63.200 0.027 0.000 0.990 225 S HN 0.480 nan 8.310 nan 0.000 0.502 226 R N 4.249 124.755 120.500 0.011 0.000 2.629 226 R HA 0.382 4.722 4.340 -0.000 0.000 0.277 226 R C -3.079 173.202 176.300 -0.031 0.000 1.637 226 R CA -1.724 54.384 56.100 0.013 0.000 1.663 226 R CB 0.578 30.895 30.300 0.028 0.000 1.228 226 R HN 0.332 nan 8.270 nan 0.000 0.632 227 P HA 0.003 nan 4.420 nan 0.000 0.271 227 P C -0.080 177.096 177.300 -0.207 0.000 1.216 227 P CA 0.188 63.124 63.100 -0.274 0.000 0.776 227 P CB 0.306 31.790 31.700 -0.360 0.000 0.881 228 F N -2.491 117.344 119.950 -0.191 0.000 2.748 228 F HA -0.238 4.289 4.527 -0.000 0.000 0.370 228 F C 0.888 176.601 175.800 -0.146 0.000 0.620 228 F CA 1.053 58.861 58.000 -0.321 0.000 1.233 228 F CB -1.431 37.090 39.000 -0.799 0.000 1.708 228 F HN 0.307 nan 8.300 nan 0.000 0.298 229 D N 1.120 121.546 120.400 0.044 0.000 2.304 229 D HA 0.289 4.929 4.640 -0.000 0.000 0.247 229 D C 1.406 177.728 176.300 0.037 0.000 1.089 229 D CA 0.766 54.798 54.000 0.054 0.000 0.910 229 D CB 1.570 42.393 40.800 0.039 0.000 1.199 229 D HN 0.167 nan 8.370 nan 0.000 0.426 230 G N 1.074 109.901 108.800 0.046 0.000 2.509 230 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 230 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 230 G C 1.271 176.184 174.900 0.023 0.000 1.124 230 G CA 1.229 46.351 45.100 0.037 0.000 0.776 230 G HN 0.600 nan 8.290 nan 0.000 0.547 231 T N -1.201 113.364 114.554 0.018 0.000 3.105 231 T HA 0.217 4.567 4.350 -0.000 0.000 0.253 231 T C 1.035 175.738 174.700 0.005 0.000 1.047 231 T CA -0.621 61.485 62.100 0.011 0.000 0.944 231 T CB -0.087 68.787 68.868 0.010 0.000 1.016 231 T HN 0.491 nan 8.240 nan 0.000 0.544 232 R N 1.960 122.459 120.500 -0.001 0.000 2.640 232 R HA 0.183 4.523 4.340 -0.000 0.000 0.270 232 R C -0.315 175.978 176.300 -0.012 0.000 1.024 232 R CA 0.415 56.507 56.100 -0.013 0.000 1.085 232 R CB 0.090 30.369 30.300 -0.035 0.000 0.963 232 R HN 0.318 nan 8.270 nan 0.000 0.426 233 D N 1.135 121.525 120.400 -0.017 0.000 2.760 233 D HA 0.241 4.881 4.640 -0.000 0.000 0.314 233 D C 0.101 176.378 176.300 -0.039 0.000 1.464 233 D CA 0.040 54.028 54.000 -0.020 0.000 0.797 233 D CB 0.514 41.304 40.800 -0.017 0.000 1.149 233 D HN 0.890 nan 8.370 nan 0.000 0.455 234 G N 0.300 109.078 108.800 -0.036 0.000 2.355 234 G HA2 0.249 4.209 3.960 -0.000 0.000 0.619 234 G HA3 0.249 4.209 3.960 -0.000 0.000 0.619 234 G C -0.724 174.150 174.900 -0.042 0.000 1.337 234 G CA -0.672 44.387 45.100 -0.069 0.000 0.993 234 G HN 0.271 nan 8.290 nan 0.000 0.599 235 F N -0.768 119.138 119.950 -0.073 0.000 2.375 235 F HA 0.861 5.388 4.527 -0.000 0.000 0.317 235 F C 0.157 175.906 175.800 -0.085 0.000 1.124 235 F CA -1.589 56.361 58.000 -0.083 0.000 1.050 235 F CB 1.226 40.190 39.000 -0.061 0.000 1.314 235 F HN 0.423 nan 8.300 nan 0.000 0.511 236 V N 3.330 123.418 119.914 0.290 0.000 2.357 236 V HA 0.258 4.378 4.120 -0.000 0.000 0.284 236 V C -0.262 175.996 176.094 0.272 0.000 1.018 236 V CA -0.834 61.547 62.300 0.134 0.000 0.841 236 V CB 1.037 32.896 31.823 0.060 0.000 0.991 236 V HN 0.822 nan 8.190 nan 0.000 0.437 237 L N 5.419 126.745 121.223 0.172 0.000 2.514 237 L HA 0.547 4.887 4.340 -0.000 0.000 0.280 237 L C 0.340 177.260 176.870 0.084 0.000 1.223 237 L CA 1.142 56.089 54.840 0.177 0.000 0.864 237 L CB 0.467 42.600 42.059 0.123 0.000 1.118 237 L HN 0.875 nan 8.230 nan 0.000 0.494 238 A N 4.279 127.136 122.820 0.061 0.000 2.588 238 A HA 0.747 5.067 4.320 -0.000 0.000 0.290 238 A C -1.293 176.310 177.584 0.032 0.000 1.136 238 A CA -0.427 51.637 52.037 0.045 0.000 0.681 238 A CB 1.183 20.220 19.000 0.061 0.000 1.282 238 A HN 0.773 nan 8.150 nan 0.000 0.421 239 E N -0.435 119.795 120.200 0.050 0.000 2.339 239 E HA 0.818 5.168 4.350 -0.000 0.000 0.262 239 E C -0.047 176.597 176.600 0.073 0.000 0.934 239 E CA -0.729 55.677 56.400 0.010 0.000 0.802 239 E CB 2.244 31.933 29.700 -0.018 0.000 1.275 239 E HN 1.910 nan 8.360 nan 0.000 0.427 240 G N -0.732 108.104 108.800 0.060 0.000 2.321 240 G HA2 0.525 4.484 3.960 -0.000 0.000 0.298 240 G HA3 0.525 4.484 3.960 -0.000 0.000 0.298 240 G C -1.822 173.155 174.900 0.129 0.000 1.385 240 G CA -0.339 44.860 45.100 0.164 0.000 0.856 240 G HN 0.962 nan 8.290 nan 0.000 0.584 241 A N -1.322 121.553 122.820 0.091 0.000 2.605 241 A HA 1.110 5.430 4.320 -0.000 0.000 0.294 241 A C -0.544 176.984 177.584 -0.093 0.000 1.062 241 A CA 0.375 52.427 52.037 0.025 0.000 0.682 241 A CB 1.209 20.277 19.000 0.114 0.000 1.278 241 A HN 2.650 nan 8.150 nan 0.000 0.410 242 A N 0.682 123.416 122.820 -0.143 0.000 2.517 242 A HA 0.823 5.143 4.320 -0.000 0.000 0.297 242 A C -1.242 176.078 177.584 -0.440 0.000 1.050 242 A CA -0.316 51.527 52.037 -0.323 0.000 0.694 242 A CB 1.469 20.283 19.000 -0.311 0.000 1.277 242 A HN 1.340 nan 8.150 nan 0.000 0.400 243 M N 1.470 120.705 119.600 -0.608 0.000 2.457 243 M HA 0.828 5.308 4.480 -0.000 0.000 0.300 243 M C -1.740 174.122 176.300 -0.731 0.000 1.141 243 M CA -0.899 54.118 55.300 -0.473 0.000 0.901 243 M CB 1.360 33.878 32.600 -0.136 0.000 1.687 243 M HN 0.567 nan 8.290 nan 0.000 0.449 244 F N 1.631 121.567 119.950 -0.024 0.000 2.577 244 F HA 0.758 5.285 4.527 -0.000 0.000 0.318 244 F C -0.458 175.225 175.800 -0.195 0.000 1.065 244 F CA -1.137 56.805 58.000 -0.097 0.000 0.929 244 F CB 1.635 40.573 39.000 -0.102 0.000 1.237 244 F HN 0.123 nan 8.300 nan 0.000 0.468 245 V N 4.158 124.023 119.914 -0.083 0.000 2.328 245 V HA 0.389 4.509 4.120 -0.000 0.000 0.278 245 V C -0.206 175.743 176.094 -0.241 0.000 1.021 245 V CA -0.530 61.528 62.300 -0.403 0.000 0.838 245 V CB 0.904 32.471 31.823 -0.427 0.000 0.999 245 V HN 0.497 nan 8.190 nan 0.000 0.447 246 L N 5.577 126.643 121.223 -0.262 0.000 2.334 246 L HA 0.835 5.175 4.340 -0.000 0.000 0.272 246 L C -0.046 176.730 176.870 -0.158 0.000 1.020 246 L CA -0.486 54.261 54.840 -0.155 0.000 0.812 246 L CB 1.892 43.881 42.059 -0.118 0.000 1.264 246 L HN 0.800 nan 8.230 nan 0.000 0.439 247 E N -0.460 119.688 120.200 -0.086 0.000 2.416 247 E HA 0.182 4.532 4.350 -0.000 0.000 0.280 247 E C -1.755 174.843 176.600 -0.003 0.000 1.055 247 E CA -0.998 55.367 56.400 -0.058 0.000 0.825 247 E CB 1.334 30.993 29.700 -0.069 0.000 1.312 247 E HN 0.423 nan 8.360 nan 0.000 0.452 248 D N 0.175 120.580 120.400 0.008 0.000 2.506 248 D HA -0.133 4.507 4.640 -0.000 0.000 0.234 248 D C 0.237 176.596 176.300 0.098 0.000 1.143 248 D CA 0.402 54.429 54.000 0.045 0.000 0.871 248 D CB 0.423 41.239 40.800 0.026 0.000 1.190 248 D HN 0.532 nan 8.370 nan 0.000 0.459 249 Y N 3.136 123.422 120.300 -0.023 0.000 2.114 249 Y HA -0.168 4.382 4.550 -0.000 0.000 0.284 249 Y C 1.594 177.485 175.900 -0.016 0.000 1.143 249 Y CA 1.878 59.966 58.100 -0.021 0.000 1.135 249 Y CB -0.229 38.220 38.460 -0.018 0.000 0.980 249 Y HN 0.469 nan 8.280 nan 0.000 0.499 250 D N -1.044 119.308 120.400 -0.080 0.000 2.144 250 D HA -0.170 4.470 4.640 -0.000 0.000 0.199 250 D C 2.454 178.676 176.300 -0.129 0.000 0.984 250 D CA 1.552 55.445 54.000 -0.179 0.000 0.834 250 D CB -0.539 40.218 40.800 -0.072 0.000 0.955 250 D HN 0.321 nan 8.370 nan 0.000 0.465 251 S N -0.276 115.388 115.700 -0.059 0.000 2.368 251 S HA -0.116 4.354 4.470 -0.000 0.000 0.225 251 S C 1.976 176.547 174.600 -0.048 0.000 1.030 251 S CA 1.339 59.515 58.200 -0.040 0.000 0.999 251 S CB -0.127 63.065 63.200 -0.015 0.000 0.844 251 S HN 0.260 nan 8.310 nan 0.000 0.459 252 A N 1.455 124.247 122.820 -0.047 0.000 1.858 252 A HA 0.052 4.372 4.320 -0.000 0.000 0.216 252 A C 2.194 179.734 177.584 -0.073 0.000 1.190 252 A CA 1.404 53.421 52.037 -0.034 0.000 0.617 252 A CB -0.910 18.101 19.000 0.018 0.000 0.827 252 A HN 0.551 nan 8.150 nan 0.000 0.443 253 L N -0.678 120.446 121.223 -0.164 0.000 2.042 253 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 253 L C 3.125 179.924 176.870 -0.119 0.000 1.076 253 L CA 1.064 55.791 54.840 -0.187 0.000 0.749 253 L CB -0.590 41.257 42.059 -0.353 0.000 0.893 253 L HN 0.468 nan 8.230 nan 0.000 0.432 254 A N 1.144 123.899 122.820 -0.109 0.000 1.865 254 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 254 A C 2.277 179.836 177.584 -0.043 0.000 1.191 254 A CA 2.059 54.054 52.037 -0.069 0.000 0.623 254 A CB -0.644 18.322 19.000 -0.057 0.000 0.826 254 A HN 0.570 nan 8.150 nan 0.000 0.444 255 R N -0.629 119.852 120.500 -0.032 0.000 2.323 255 R HA 0.248 4.588 4.340 -0.000 0.000 0.198 255 R C 1.006 177.299 176.300 -0.012 0.000 0.988 255 R CA 0.815 56.907 56.100 -0.013 0.000 1.041 255 R CB -0.811 29.490 30.300 0.000 0.000 0.926 255 R HN 0.966 nan 8.270 nan 0.000 0.476 256 G N 0.526 109.311 108.800 -0.025 0.000 2.246 256 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.273 256 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.273 256 G C 0.116 175.009 174.900 -0.012 0.000 1.055 256 G CA 0.121 45.208 45.100 -0.022 0.000 0.851 256 G HN 0.708 nan 8.290 nan 0.000 0.500 257 A N -0.218 122.596 122.820 -0.010 0.000 2.354 257 A HA 0.747 5.067 4.320 -0.000 0.000 0.269 257 A C 0.860 178.440 177.584 -0.007 0.000 1.109 257 A CA 0.062 52.102 52.037 0.005 0.000 0.800 257 A CB 0.423 19.433 19.000 0.016 0.000 1.045 257 A HN 0.888 nan 8.150 nan 0.000 0.489 258 R N 2.211 122.702 120.500 -0.015 0.000 2.449 258 R HA 0.255 4.595 4.340 -0.000 0.000 0.296 258 R C -1.005 175.245 176.300 -0.083 0.000 1.047 258 R CA 0.075 56.124 56.100 -0.086 0.000 1.018 258 R CB -0.043 30.163 30.300 -0.157 0.000 0.962 258 R HN 0.644 nan 8.270 nan 0.000 0.428 259 I N 6.330 126.854 120.570 -0.077 0.000 2.282 259 I HA 0.069 4.239 4.170 -0.000 0.000 0.290 259 I C 1.202 177.281 176.117 -0.063 0.000 1.090 259 I CA -0.535 60.763 61.300 -0.003 0.000 1.231 259 I CB 0.941 38.985 38.000 0.073 0.000 1.434 259 I HN 0.736 nan 8.210 nan 0.000 0.487 260 H N 5.104 124.166 119.070 -0.014 0.000 2.421 260 H HA 0.139 4.695 4.556 -0.000 0.000 0.298 260 H C 0.772 176.065 175.328 -0.058 0.000 1.087 260 H CA 0.833 56.857 56.048 -0.041 0.000 1.330 260 H CB 0.461 30.202 29.762 -0.035 0.000 1.388 260 H HN 0.726 nan 8.280 nan 0.000 0.526 261 A N 0.284 123.141 122.820 0.062 0.000 2.517 261 A HA 0.264 4.584 4.320 -0.000 0.000 0.296 261 A C -1.349 176.209 177.584 -0.042 0.000 0.983 261 A CA -0.715 51.316 52.037 -0.010 0.000 0.634 261 A CB 1.329 20.310 19.000 -0.031 0.000 1.341 261 A HN 0.188 nan 8.150 nan 0.000 0.438 262 E N 0.728 120.879 120.200 -0.083 0.000 2.187 262 E HA 0.598 4.948 4.350 -0.000 0.000 0.268 262 E C -1.173 175.359 176.600 -0.112 0.000 0.896 262 E CA -0.667 55.657 56.400 -0.126 0.000 0.766 262 E CB 1.059 30.627 29.700 -0.219 0.000 1.142 262 E HN 0.519 nan 8.360 nan 0.000 0.408 263 I N 5.072 125.576 120.570 -0.110 0.000 2.270 263 I HA -0.033 4.137 4.170 -0.000 0.000 0.300 263 I C 1.427 177.504 176.117 -0.066 0.000 1.186 263 I CA 0.033 61.280 61.300 -0.088 0.000 1.431 263 I CB 0.114 38.054 38.000 -0.101 0.000 1.485 263 I HN 0.534 nan 8.210 nan 0.000 0.650 264 S N 2.767 118.429 115.700 -0.064 0.000 2.447 264 S HA 0.053 4.523 4.470 -0.000 0.000 0.233 264 S C 0.956 175.545 174.600 -0.018 0.000 1.006 264 S CA 0.333 58.500 58.200 -0.056 0.000 0.957 264 S CB 0.065 63.229 63.200 -0.061 0.000 0.773 264 S HN 0.620 nan 8.310 nan 0.000 0.507 265 G N -0.395 108.412 108.800 0.011 0.000 2.733 265 G HA2 0.544 4.503 3.960 -0.000 0.000 0.297 265 G HA3 0.544 4.503 3.960 -0.000 0.000 0.297 265 G C -2.116 172.857 174.900 0.120 0.000 1.422 265 G CA -0.777 44.350 45.100 0.045 0.000 0.942 265 G HN 0.261 nan 8.290 nan 0.000 0.510 266 Y N 0.544 120.834 120.300 -0.018 0.000 2.519 266 Y HA 0.770 5.320 4.550 -0.000 0.000 0.336 266 Y C -0.796 175.105 175.900 0.002 0.000 1.089 266 Y CA -0.370 57.724 58.100 -0.010 0.000 1.025 266 Y CB 1.967 40.417 38.460 -0.016 0.000 1.318 266 Y HN 1.364 nan 8.280 nan 0.000 0.452 267 A N 2.977 125.212 122.820 -0.976 0.000 2.608 267 A HA 0.732 5.052 4.320 -0.000 0.000 0.292 267 A C -1.469 175.713 177.584 -0.671 0.000 1.066 267 A CA -0.189 51.407 52.037 -0.735 0.000 0.676 267 A CB 1.688 20.516 19.000 -0.287 0.000 1.277 267 A HN 0.986 nan 8.150 nan 0.000 0.413 268 T N 0.545 114.872 114.554 -0.378 0.000 2.982 268 T HA 0.710 5.060 4.350 -0.000 0.000 0.321 268 T C -1.340 173.337 174.700 -0.038 0.000 1.229 268 T CA -0.587 61.424 62.100 -0.149 0.000 1.044 268 T CB 0.976 69.820 68.868 -0.040 0.000 1.184 268 T HN 0.792 nan 8.240 nan 0.000 0.477 269 R N 1.740 122.246 120.500 0.011 0.000 2.869 269 R HA 0.727 5.067 4.340 -0.000 0.000 0.263 269 R C -1.146 175.167 176.300 0.023 0.000 1.066 269 R CA -0.513 55.595 56.100 0.013 0.000 0.960 269 R CB 1.403 31.699 30.300 -0.007 0.000 1.221 269 R HN 0.746 nan 8.270 nan 0.000 0.474 270 C N 0.174 119.463 119.300 -0.019 0.000 2.493 270 C HA 0.390 4.850 4.460 -0.000 0.000 0.326 270 C C 1.946 176.911 174.990 -0.042 0.000 1.200 270 C CA -0.693 58.278 59.018 -0.080 0.000 1.739 270 C CB 1.313 28.954 27.740 -0.166 0.000 2.300 270 C HN 0.817 nan 8.230 nan 0.000 0.500 271 N N 1.418 120.096 118.700 -0.036 0.000 2.058 271 N HA -0.077 4.663 4.740 -0.000 0.000 0.191 271 N C 1.300 176.841 175.510 0.052 0.000 1.037 271 N CA 1.325 54.397 53.050 0.036 0.000 0.848 271 N CB -0.137 38.406 38.487 0.093 0.000 1.021 271 N HN 0.955 nan 8.380 nan 0.000 0.422 272 A N -0.914 121.911 122.820 0.007 0.000 2.847 272 A HA -0.248 4.072 4.320 -0.000 0.000 0.263 272 A C 0.782 178.416 177.584 0.083 0.000 1.391 272 A CA 1.448 53.488 52.037 0.004 0.000 0.866 272 A CB -2.413 16.588 19.000 0.001 0.000 1.057 272 A HN 0.703 nan 8.150 nan 0.000 0.673 273 Y N -0.599 119.689 120.300 -0.021 0.000 2.447 273 Y HA 0.459 5.009 4.550 -0.000 0.000 0.286 273 Y C 0.901 176.846 175.900 0.076 0.000 1.153 273 Y CA 1.581 59.694 58.100 0.022 0.000 1.241 273 Y CB 0.428 38.906 38.460 0.031 0.000 1.284 273 Y HN 0.685 nan 8.280 nan 0.000 0.520 274 H N -0.301 118.598 119.070 -0.285 0.000 3.079 274 H HA 0.242 4.798 4.556 -0.000 0.000 0.356 274 H C 0.479 175.708 175.328 -0.166 0.000 1.221 274 H CA -0.391 55.433 56.048 -0.373 0.000 1.185 274 H CB 1.569 30.937 29.762 -0.657 0.000 1.882 274 H HN 0.182 nan 8.280 nan 0.000 0.543 275 M N 1.749 121.084 119.600 -0.441 0.000 2.202 275 M HA -0.102 4.378 4.480 -0.000 0.000 0.262 275 M C 1.524 177.806 176.300 -0.030 0.000 1.063 275 M CA 2.286 57.459 55.300 -0.211 0.000 1.097 275 M CB -0.974 31.433 32.600 -0.322 0.000 1.382 275 M HN 0.719 nan 8.290 nan 0.000 0.413 276 T N -4.523 110.145 114.554 0.191 0.000 3.009 276 T HA 0.282 4.632 4.350 -0.000 0.000 0.267 276 T C 0.859 175.686 174.700 0.212 0.000 0.942 276 T CA 0.206 62.346 62.100 0.066 0.000 0.883 276 T CB -0.080 68.537 68.868 -0.418 0.000 1.192 276 T HN 0.259 nan 8.240 nan 0.000 0.524 277 G N 1.452 110.338 108.800 0.144 0.000 2.476 277 G HA2 0.637 4.597 3.960 -0.000 0.000 0.269 277 G HA3 0.637 4.597 3.960 -0.000 0.000 0.269 277 G C -1.002 174.041 174.900 0.238 0.000 1.195 277 G CA -0.651 44.419 45.100 -0.049 0.000 0.843 277 G HN 0.468 nan 8.290 nan 0.000 0.545 278 L N 1.141 122.475 121.223 0.185 0.000 2.386 278 L HA 0.412 4.752 4.340 -0.000 0.000 0.271 278 L C 0.355 177.216 176.870 -0.015 0.000 0.993 278 L CA -0.887 53.980 54.840 0.045 0.000 0.819 278 L CB 2.359 44.294 42.059 -0.207 0.000 1.294 278 L HN 0.423 nan 8.230 nan 0.000 0.414 279 K N 0.884 121.152 120.400 -0.219 0.000 2.202 279 K HA 0.291 4.611 4.320 -0.000 0.000 0.264 279 K C 0.773 177.360 176.600 -0.020 0.000 1.010 279 K CA 0.028 56.133 56.287 -0.303 0.000 0.940 279 K CB 1.558 33.775 32.500 -0.471 0.000 0.983 279 K HN 0.764 nan 8.250 nan 0.000 0.475 280 A N 2.514 125.311 122.820 -0.039 0.000 2.014 280 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 280 A C 1.462 179.036 177.584 -0.016 0.000 1.163 280 A CA 1.878 53.920 52.037 0.008 0.000 0.652 280 A CB -0.511 18.488 19.000 -0.003 0.000 0.808 280 A HN 0.913 nan 8.150 nan 0.000 0.449 281 D N -1.275 119.097 120.400 -0.047 0.000 2.117 281 D HA 0.171 4.811 4.640 -0.000 0.000 0.198 281 D C 1.367 177.601 176.300 -0.111 0.000 0.982 281 D CA 1.118 55.078 54.000 -0.066 0.000 0.828 281 D CB -0.742 40.018 40.800 -0.066 0.000 0.967 281 D HN 0.841 nan 8.370 nan 0.000 0.464 282 G N 0.637 109.367 108.800 -0.116 0.000 2.198 282 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.257 282 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.257 282 G C 0.793 175.603 174.900 -0.150 0.000 1.042 282 G CA 0.503 45.425 45.100 -0.296 0.000 0.791 282 G HN 0.516 nan 8.290 nan 0.000 0.502 283 R N -0.076 120.384 120.500 -0.067 0.000 2.082 283 R HA -0.121 4.219 4.340 -0.000 0.000 0.234 283 R C 2.320 178.601 176.300 -0.030 0.000 1.136 283 R CA 2.298 58.370 56.100 -0.047 0.000 0.935 283 R CB -0.238 30.040 30.300 -0.037 0.000 0.842 283 R HN 0.445 nan 8.270 nan 0.000 0.430 284 E N 0.265 120.464 120.200 -0.002 0.000 2.110 284 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 284 E C 1.751 178.352 176.600 0.001 0.000 0.988 284 E CA 1.606 58.010 56.400 0.006 0.000 0.804 284 E CB -0.250 29.464 29.700 0.024 0.000 0.745 284 E HN 0.316 nan 8.360 nan 0.000 0.458 285 M N 0.557 120.161 119.600 0.007 0.000 2.086 285 M HA -0.051 4.429 4.480 -0.000 0.000 0.261 285 M C 2.035 178.300 176.300 -0.058 0.000 1.067 285 M CA 1.906 57.192 55.300 -0.024 0.000 1.116 285 M CB -0.401 32.153 32.600 -0.077 0.000 1.348 285 M HN 0.081 nan 8.290 nan 0.000 0.407 286 A N -0.414 122.357 122.820 -0.082 0.000 1.908 286 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 286 A C 2.060 179.627 177.584 -0.028 0.000 1.181 286 A CA 2.205 54.208 52.037 -0.056 0.000 0.627 286 A CB -1.081 17.883 19.000 -0.060 0.000 0.818 286 A HN 0.657 nan 8.150 nan 0.000 0.445 287 E N -0.202 119.981 120.200 -0.028 0.000 2.077 287 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 287 E C 1.955 178.540 176.600 -0.027 0.000 0.989 287 E CA 2.111 58.497 56.400 -0.023 0.000 0.800 287 E CB -0.622 29.065 29.700 -0.021 0.000 0.746 287 E HN 0.524 nan 8.360 nan 0.000 0.452 288 T N 0.660 115.196 114.554 -0.030 0.000 2.746 288 T HA -0.090 4.260 4.350 -0.000 0.000 0.267 288 T C 1.890 176.567 174.700 -0.038 0.000 1.039 288 T CA 1.508 63.581 62.100 -0.045 0.000 1.142 288 T CB -0.265 68.578 68.868 -0.041 0.000 0.866 288 T HN 0.182 nan 8.240 nan 0.000 0.444 289 I N 0.463 121.026 120.570 -0.012 0.000 2.315 289 I HA -0.126 4.044 4.170 -0.000 0.000 0.248 289 I C 2.934 179.053 176.117 0.004 0.000 1.117 289 I CA 0.895 62.203 61.300 0.013 0.000 1.404 289 I CB -0.345 37.687 38.000 0.053 0.000 1.071 289 I HN 0.067 nan 8.210 nan 0.000 0.419 290 R N 1.107 121.605 120.500 -0.004 0.000 2.070 290 R HA -0.118 4.222 4.340 -0.000 0.000 0.233 290 R C 2.275 178.566 176.300 -0.016 0.000 1.137 290 R CA 1.549 57.645 56.100 -0.007 0.000 0.945 290 R CB -0.530 29.764 30.300 -0.010 0.000 0.845 290 R HN 0.201 nan 8.270 nan 0.000 0.430 291 V N 1.312 121.210 119.914 -0.027 0.000 2.343 291 V HA -0.220 3.900 4.120 -0.000 0.000 0.247 291 V C 2.612 178.684 176.094 -0.037 0.000 1.051 291 V CA 1.805 64.085 62.300 -0.034 0.000 1.036 291 V CB -0.913 30.881 31.823 -0.048 0.000 0.654 291 V HN 0.433 nan 8.190 nan 0.000 0.451 292 A N -0.164 122.630 122.820 -0.044 0.000 1.877 292 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 292 A C 2.235 179.811 177.584 -0.014 0.000 1.186 292 A CA 1.870 53.886 52.037 -0.036 0.000 0.620 292 A CB -0.580 18.400 19.000 -0.034 0.000 0.822 292 A HN 0.487 nan 8.150 nan 0.000 0.443 293 L N -0.411 120.806 121.223 -0.010 0.000 2.046 293 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 293 L C 2.543 179.405 176.870 -0.013 0.000 1.077 293 L CA 1.715 56.550 54.840 -0.009 0.000 0.747 293 L CB -0.559 41.496 42.059 -0.006 0.000 0.896 293 L HN 0.547 nan 8.230 nan 0.000 0.432 294 D N 0.342 120.733 120.400 -0.014 0.000 2.088 294 D HA -0.298 4.342 4.640 -0.000 0.000 0.191 294 D C 1.952 178.245 176.300 -0.013 0.000 0.992 294 D CA 1.927 55.918 54.000 -0.014 0.000 0.831 294 D CB 0.040 40.831 40.800 -0.014 0.000 0.973 294 D HN 0.408 nan 8.370 nan 0.000 0.447 295 E N 0.076 120.269 120.200 -0.011 0.000 2.097 295 E HA -0.200 4.150 4.350 -0.000 0.000 0.196 295 E C 1.975 178.570 176.600 -0.009 0.000 1.000 295 E CA 1.505 57.901 56.400 -0.006 0.000 0.804 295 E CB -0.280 29.422 29.700 0.002 0.000 0.740 295 E HN 0.124 nan 8.360 nan 0.000 0.454 296 S N -0.355 115.339 115.700 -0.011 0.000 2.507 296 S HA -0.092 4.377 4.470 -0.000 0.000 0.235 296 S C 0.753 175.339 174.600 -0.024 0.000 0.988 296 S CA 1.066 59.255 58.200 -0.019 0.000 0.944 296 S CB -0.378 62.813 63.200 -0.016 0.000 0.762 296 S HN 0.395 nan 8.310 nan 0.000 0.526 297 R N 0.423 120.911 120.500 -0.020 0.000 3.953 297 R HA -0.125 4.215 4.340 -0.000 0.000 0.340 297 R C -0.276 176.009 176.300 -0.025 0.000 1.195 297 R CA 1.133 57.220 56.100 -0.021 0.000 0.929 297 R CB -2.845 27.442 30.300 -0.022 0.000 1.402 297 R HN 0.637 nan 8.270 nan 0.000 0.540 298 T N -2.394 112.145 114.554 -0.025 0.000 2.824 298 T HA 0.423 4.773 4.350 -0.000 0.000 0.280 298 T C 0.017 174.696 174.700 -0.034 0.000 0.995 298 T CA -1.081 61.002 62.100 -0.029 0.000 1.009 298 T CB 2.262 71.115 68.868 -0.025 0.000 0.955 298 T HN -0.033 nan 8.240 nan 0.000 0.452 299 D N 1.307 121.677 120.400 -0.049 0.000 2.329 299 D HA 0.392 5.032 4.640 -0.000 0.000 0.246 299 D C 1.487 177.731 176.300 -0.093 0.000 1.111 299 D CA -0.281 53.679 54.000 -0.067 0.000 0.941 299 D CB 1.619 42.369 40.800 -0.083 0.000 1.169 299 D HN 0.709 nan 8.370 nan 0.000 0.441 300 A N 1.474 124.234 122.820 -0.100 0.000 1.884 300 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 300 A C 2.060 179.433 177.584 -0.351 0.000 1.197 300 A CA 2.810 54.786 52.037 -0.102 0.000 0.637 300 A CB -1.261 17.710 19.000 -0.048 0.000 0.827 300 A HN 0.730 nan 8.150 nan 0.000 0.450 301 T N -2.066 112.107 114.554 -0.636 0.000 2.918 301 T HA -0.167 4.183 4.350 -0.000 0.000 0.271 301 T C 1.091 175.517 174.700 -0.457 0.000 1.104 301 T CA 1.582 63.020 62.100 -1.105 0.000 1.114 301 T CB -0.505 68.055 68.868 -0.513 0.000 0.855 301 T HN 0.500 nan 8.240 nan 0.000 0.518 302 D N 0.889 121.169 120.400 -0.200 0.000 2.277 302 D HA 0.079 4.719 4.640 -0.000 0.000 0.208 302 D C 0.674 176.998 176.300 0.040 0.000 0.962 302 D CA 0.207 54.177 54.000 -0.050 0.000 0.865 302 D CB -0.037 40.738 40.800 -0.043 0.000 0.939 302 D HN 0.379 nan 8.370 nan 0.000 0.510 303 I N 2.696 123.321 120.570 0.090 0.000 2.664 303 I HA -0.073 4.097 4.170 -0.000 0.000 0.284 303 I C 0.985 177.211 176.117 0.183 0.000 1.154 303 I CA 0.394 61.773 61.300 0.131 0.000 1.402 303 I CB 0.272 38.347 38.000 0.125 0.000 1.395 303 I HN -0.134 nan 8.210 nan 0.000 0.545 304 D N 5.454 125.928 120.400 0.124 0.000 2.367 304 D HA -0.000 4.640 4.640 -0.000 0.000 0.207 304 D C -0.050 176.349 176.300 0.165 0.000 1.034 304 D CA 0.713 54.786 54.000 0.120 0.000 0.861 304 D CB 0.488 41.347 40.800 0.097 0.000 0.943 304 D HN 0.538 nan 8.370 nan 0.000 0.515 305 Y N 0.244 120.536 120.300 -0.013 0.000 2.573 305 Y HA 0.375 4.925 4.550 -0.000 0.000 0.328 305 Y C -2.255 173.620 175.900 -0.040 0.000 1.170 305 Y CA -1.344 56.736 58.100 -0.033 0.000 1.078 305 Y CB 0.814 39.276 38.460 0.004 0.000 1.341 305 Y HN -0.273 nan 8.280 nan 0.000 0.459 306 I N 5.823 125.993 120.570 -0.668 0.000 2.439 306 I HA 0.263 4.433 4.170 -0.000 0.000 0.283 306 I C -0.539 175.045 176.117 -0.888 0.000 1.023 306 I CA -0.758 60.128 61.300 -0.690 0.000 1.100 306 I CB 1.516 39.207 38.000 -0.516 0.000 1.238 306 I HN 0.612 nan 8.210 nan 0.000 0.445 307 N N 6.370 124.604 118.700 -0.776 0.000 2.448 307 N HA 0.291 5.031 4.740 -0.000 0.000 0.250 307 N C -0.069 175.425 175.510 -0.028 0.000 1.136 307 N CA -0.036 52.803 53.050 -0.352 0.000 0.953 307 N CB 1.069 39.477 38.487 -0.133 0.000 1.251 307 N HN 0.730 nan 8.380 nan 0.000 0.502 308 A N 2.745 125.629 122.820 0.105 0.000 2.346 308 A HA 0.012 4.332 4.320 -0.000 0.000 0.255 308 A C 1.130 178.876 177.584 0.271 0.000 1.113 308 A CA 0.070 52.312 52.037 0.341 0.000 0.798 308 A CB 0.107 19.453 19.000 0.576 0.000 1.073 308 A HN 0.902 nan 8.150 nan 0.000 0.502 309 H N -0.069 119.114 119.070 0.188 0.000 2.355 309 H HA 0.223 4.779 4.556 -0.000 0.000 0.303 309 H C 1.489 176.775 175.328 -0.069 0.000 1.061 309 H CA 1.499 57.559 56.048 0.021 0.000 1.368 309 H CB -0.542 29.217 29.762 -0.005 0.000 1.412 309 H HN 1.177 nan 8.280 nan 0.000 0.523 310 G N 0.748 109.508 108.800 -0.067 0.000 2.266 310 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.269 310 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.269 310 G C 1.153 175.797 174.900 -0.427 0.000 0.863 310 G CA 0.909 45.775 45.100 -0.389 0.000 1.268 310 G HN 0.729 nan 8.290 nan 0.000 0.426 311 S N 0.186 115.644 115.700 -0.402 0.000 2.387 311 S HA 0.311 4.781 4.470 -0.000 0.000 0.226 311 S C 2.193 176.715 174.600 -0.130 0.000 1.026 311 S CA 1.299 59.286 58.200 -0.355 0.000 0.972 311 S CB 0.110 63.188 63.200 -0.203 0.000 0.814 311 S HN 2.416 nan 8.310 nan 0.000 0.477 312 G N 0.865 109.565 108.800 -0.166 0.000 2.192 312 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.193 312 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.193 312 G C 0.210 175.084 174.900 -0.044 0.000 0.999 312 G CA 0.097 45.130 45.100 -0.111 0.000 0.659 312 G HN 1.163 nan 8.290 nan 0.000 0.503 313 T N -1.497 113.058 114.554 0.002 0.000 2.899 313 T HA 0.647 4.997 4.350 -0.000 0.000 0.284 313 T C 1.681 176.380 174.700 -0.002 0.000 1.004 313 T CA -0.036 62.087 62.100 0.038 0.000 1.043 313 T CB 1.652 70.591 68.868 0.119 0.000 1.013 313 T HN 0.066 nan 8.240 nan 0.000 0.518 314 R N 1.399 121.908 120.500 0.014 0.000 2.070 314 R HA -0.142 4.198 4.340 -0.000 0.000 0.233 314 R C 2.657 178.972 176.300 0.024 0.000 1.137 314 R CA 2.278 58.385 56.100 0.012 0.000 0.945 314 R CB -1.222 29.091 30.300 0.020 0.000 0.845 314 R HN 0.992 nan 8.270 nan 0.000 0.430 315 Q N 0.494 120.319 119.800 0.042 0.000 2.084 315 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 315 Q C 1.929 177.970 176.000 0.067 0.000 0.978 315 Q CA 1.605 57.441 55.803 0.054 0.000 0.844 315 Q CB -0.474 28.297 28.738 0.056 0.000 0.898 315 Q HN 0.308 nan 8.270 nan 0.000 0.426 316 N N 1.300 120.030 118.700 0.051 0.000 2.022 316 N HA -0.189 4.551 4.740 -0.000 0.000 0.194 316 N C 1.143 176.684 175.510 0.053 0.000 1.057 316 N CA 1.888 54.974 53.050 0.061 0.000 0.849 316 N CB -0.242 38.283 38.487 0.063 0.000 1.044 316 N HN 0.225 nan 8.380 nan 0.000 0.424 317 D N 0.385 120.727 120.400 -0.098 0.000 2.239 317 D HA -0.197 4.443 4.640 -0.000 0.000 0.202 317 D C 1.946 178.283 176.300 0.061 0.000 0.993 317 D CA 0.791 54.638 54.000 -0.254 0.000 0.874 317 D CB -0.281 40.177 40.800 -0.570 0.000 0.922 317 D HN 0.466 nan 8.370 nan 0.000 0.464 318 R N -0.322 120.223 120.500 0.075 0.000 2.140 318 R HA -0.091 4.249 4.340 -0.000 0.000 0.213 318 R C 2.319 178.685 176.300 0.110 0.000 1.059 318 R CA 0.598 56.767 56.100 0.115 0.000 1.000 318 R CB -0.144 30.205 30.300 0.083 0.000 0.910 318 R HN 0.283 nan 8.270 nan 0.000 0.455 319 H N 1.675 120.750 119.070 0.007 0.000 2.357 319 H HA -0.128 4.428 4.556 -0.000 0.000 0.301 319 H C 1.400 176.682 175.328 -0.076 0.000 1.082 319 H CA 2.027 58.057 56.048 -0.030 0.000 1.342 319 H CB 0.083 29.825 29.762 -0.033 0.000 1.389 319 H HN 0.543 nan 8.280 nan 0.000 0.511 320 E N -0.056 120.050 120.200 -0.158 0.000 2.158 320 E HA -0.073 4.277 4.350 -0.000 0.000 0.191 320 E C 1.992 178.298 176.600 -0.489 0.000 0.982 320 E CA 1.178 57.301 56.400 -0.462 0.000 0.823 320 E CB -0.345 29.187 29.700 -0.280 0.000 0.766 320 E HN 0.231 nan 8.360 nan 0.000 0.468 321 T N 1.226 115.785 114.554 0.007 0.000 2.720 321 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 321 T C 2.006 176.748 174.700 0.070 0.000 1.037 321 T CA 1.653 63.889 62.100 0.228 0.000 1.144 321 T CB -0.278 68.786 68.868 0.327 0.000 0.864 321 T HN 0.421 nan 8.240 nan 0.000 0.444 322 A N 1.236 124.030 122.820 -0.043 0.000 1.898 322 A HA 0.229 4.549 4.320 -0.000 0.000 0.216 322 A C 2.632 180.145 177.584 -0.118 0.000 1.181 322 A CA 1.699 53.699 52.037 -0.063 0.000 0.620 322 A CB -1.027 17.923 19.000 -0.084 0.000 0.819 322 A HN 0.500 nan 8.150 nan 0.000 0.442 323 A N -1.235 121.420 122.820 -0.275 0.000 1.933 323 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 323 A C 2.051 179.556 177.584 -0.132 0.000 1.175 323 A CA 1.552 53.422 52.037 -0.279 0.000 0.628 323 A CB -0.771 17.948 19.000 -0.469 0.000 0.814 323 A HN 0.547 nan 8.150 nan 0.000 0.444 324 Y N 0.462 120.743 120.300 -0.032 0.000 2.145 324 Y HA -0.156 4.393 4.550 -0.000 0.000 0.286 324 Y C 2.342 178.234 175.900 -0.013 0.000 1.145 324 Y CA 1.538 59.631 58.100 -0.011 0.000 1.148 324 Y CB -0.444 38.017 38.460 0.003 0.000 0.981 324 Y HN 0.295 nan 8.280 nan 0.000 0.507 325 K N -0.203 120.283 120.400 0.142 0.000 2.155 325 K HA -0.123 4.197 4.320 -0.000 0.000 0.203 325 K C 2.141 178.766 176.600 0.043 0.000 1.052 325 K CA 0.988 57.320 56.287 0.075 0.000 0.948 325 K CB -0.147 32.384 32.500 0.052 0.000 0.728 325 K HN 0.161 nan 8.250 nan 0.000 0.448 326 R N 0.313 120.825 120.500 0.019 0.000 2.276 326 R HA -0.005 4.335 4.340 -0.000 0.000 0.203 326 R C 1.413 177.718 176.300 0.008 0.000 1.017 326 R CA 0.837 56.936 56.100 -0.002 0.000 1.010 326 R CB 0.208 30.487 30.300 -0.034 0.000 0.900 326 R HN 0.163 nan 8.270 nan 0.000 0.469 327 A N -0.795 122.044 122.820 0.032 0.000 2.141 327 A HA 0.244 4.564 4.320 -0.000 0.000 0.201 327 A C 1.401 179.018 177.584 0.055 0.000 1.344 327 A CA -0.238 51.821 52.037 0.037 0.000 0.971 327 A CB 0.485 19.510 19.000 0.041 0.000 1.035 327 A HN 0.254 nan 8.150 nan 0.000 0.480 328 L N -1.110 120.162 121.223 0.081 0.000 2.609 328 L HA 0.367 4.707 4.340 -0.000 0.000 0.230 328 L C 1.609 178.534 176.870 0.091 0.000 1.087 328 L CA 0.410 55.309 54.840 0.099 0.000 0.874 328 L CB -0.208 41.931 42.059 0.133 0.000 1.114 328 L HN 0.549 nan 8.230 nan 0.000 0.488 329 G N 1.472 110.310 108.800 0.063 0.000 2.550 329 G HA2 -0.446 3.514 3.960 -0.000 0.000 0.277 329 G HA3 -0.446 3.514 3.960 -0.000 0.000 0.277 329 G C 0.648 175.579 174.900 0.051 0.000 1.190 329 G CA 0.717 45.845 45.100 0.047 0.000 0.971 329 G HN 0.278 nan 8.290 nan 0.000 0.559 330 E N -0.646 119.582 120.200 0.047 0.000 2.209 330 E HA -0.115 4.235 4.350 -0.000 0.000 0.196 330 E C 2.032 178.662 176.600 0.050 0.000 0.993 330 E CA 2.116 58.537 56.400 0.036 0.000 0.819 330 E CB -0.354 29.365 29.700 0.032 0.000 0.745 330 E HN 0.709 nan 8.360 nan 0.000 0.477 331 H N -0.797 118.259 119.070 -0.023 0.000 2.521 331 H HA 0.110 4.666 4.556 -0.000 0.000 0.286 331 H C 1.623 176.922 175.328 -0.049 0.000 1.034 331 H CA 1.265 57.294 56.048 -0.032 0.000 1.278 331 H CB -0.126 29.621 29.762 -0.025 0.000 1.386 331 H HN 0.239 nan 8.280 nan 0.000 0.567 332 A N 0.457 123.247 122.820 -0.051 0.000 1.972 332 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 332 A C 2.232 179.703 177.584 -0.188 0.000 1.169 332 A CA 1.422 53.392 52.037 -0.113 0.000 0.635 332 A CB -0.200 18.799 19.000 -0.002 0.000 0.810 332 A HN 0.468 nan 8.150 nan 0.000 0.446 333 R N -1.230 119.180 120.500 -0.149 0.000 2.310 333 R HA 0.160 4.500 4.340 -0.000 0.000 0.202 333 R C 1.615 177.804 176.300 -0.184 0.000 0.933 333 R CA 0.453 56.456 56.100 -0.162 0.000 1.054 333 R CB 0.056 30.295 30.300 -0.102 0.000 0.985 333 R HN 0.415 nan 8.270 nan 0.000 0.489 334 R N -0.694 119.664 120.500 -0.236 0.000 2.335 334 R HA 0.134 4.474 4.340 -0.000 0.000 0.210 334 R C -0.095 176.015 176.300 -0.317 0.000 0.892 334 R CA 0.363 56.321 56.100 -0.237 0.000 1.048 334 R CB 1.003 31.193 30.300 -0.184 0.000 1.067 334 R HN -0.052 nan 8.270 nan 0.000 0.524 335 T N 2.798 117.101 114.554 -0.419 0.000 2.795 335 T HA 0.323 4.673 4.350 -0.000 0.000 0.282 335 T C -2.574 171.991 174.700 -0.225 0.000 0.980 335 T CA -1.711 60.185 62.100 -0.339 0.000 1.012 335 T CB 2.013 70.635 68.868 -0.411 0.000 0.936 335 T HN -0.176 nan 8.240 nan 0.000 0.457 336 P HA 0.353 nan 4.420 nan 0.000 0.271 336 P C -1.064 176.254 177.300 0.030 0.000 1.216 336 P CA -0.347 62.726 63.100 -0.045 0.000 0.771 336 P CB 0.596 32.307 31.700 0.019 0.000 0.864 337 V N 2.362 122.249 119.914 -0.045 0.000 2.789 337 V HA 0.747 4.867 4.120 -0.000 0.000 0.311 337 V C -0.184 175.996 176.094 0.143 0.000 1.073 337 V CA -0.413 61.863 62.300 -0.039 0.000 0.921 337 V CB 2.121 33.795 31.823 -0.247 0.000 1.009 337 V HN 0.762 nan 8.190 nan 0.000 0.426 338 S N 1.580 117.430 115.700 0.250 0.000 2.565 338 S HA 0.674 5.144 4.470 -0.000 0.000 0.269 338 S C -0.991 173.797 174.600 0.315 0.000 1.153 338 S CA -0.593 57.788 58.200 0.301 0.000 0.835 338 S CB 1.940 65.310 63.200 0.284 0.000 1.122 338 S HN 0.941 nan 8.310 nan 0.000 0.462 339 S N 1.174 117.056 115.700 0.303 0.000 2.566 339 S HA 0.414 4.884 4.470 -0.000 0.000 0.324 339 S C 1.060 175.737 174.600 0.128 0.000 1.081 339 S CA -0.888 57.435 58.200 0.205 0.000 1.105 339 S CB -0.226 63.071 63.200 0.163 0.000 0.981 339 S HN 0.940 nan 8.310 nan 0.000 0.464 340 I N 2.832 123.474 120.570 0.120 0.000 3.001 340 I HA 0.043 4.213 4.170 -0.000 0.000 0.268 340 I C 1.727 177.890 176.117 0.077 0.000 1.267 340 I CA 0.742 62.106 61.300 0.107 0.000 1.472 340 I CB -0.210 37.891 38.000 0.168 0.000 1.089 340 I HN 0.486 nan 8.210 nan 0.000 0.468 341 K N 1.816 122.229 120.400 0.021 0.000 2.280 341 K HA -0.089 4.231 4.320 -0.000 0.000 0.202 341 K C 2.275 178.881 176.600 0.010 0.000 1.047 341 K CA 1.526 57.801 56.287 -0.019 0.000 0.942 341 K CB -0.181 32.227 32.500 -0.154 0.000 0.739 341 K HN 0.615 nan 8.250 nan 0.000 0.457 342 S N 0.135 115.849 115.700 0.023 0.000 2.474 342 S HA -0.089 4.381 4.470 -0.000 0.000 0.235 342 S C 1.783 176.406 174.600 0.037 0.000 0.997 342 S CA 0.950 59.170 58.200 0.034 0.000 0.949 342 S CB -0.071 63.163 63.200 0.055 0.000 0.766 342 S HN 0.222 nan 8.310 nan 0.000 0.517 343 M N 0.593 120.219 119.600 0.043 0.000 2.879 343 M HA 0.207 4.687 4.480 -0.000 0.000 0.241 343 M C 1.545 177.884 176.300 0.065 0.000 1.523 343 M CA 0.526 55.850 55.300 0.041 0.000 1.195 343 M CB 0.540 33.156 32.600 0.026 0.000 1.277 343 M HN 0.286 nan 8.290 nan 0.000 0.557 344 V N -1.676 118.299 119.914 0.102 0.000 3.596 344 V HA 0.556 4.676 4.120 -0.000 0.000 0.289 344 V C 0.809 176.959 176.094 0.093 0.000 1.336 344 V CA 0.060 62.438 62.300 0.129 0.000 1.137 344 V CB -1.471 30.487 31.823 0.224 0.000 0.966 344 V HN 0.589 nan 8.190 nan 0.000 0.428 345 G N 1.033 109.875 108.800 0.069 0.000 2.697 345 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.240 345 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.240 345 G C -0.402 174.549 174.900 0.084 0.000 1.346 345 G CA 0.412 45.558 45.100 0.076 0.000 0.887 345 G HN 1.150 nan 8.290 nan 0.000 0.569 346 H N 0.668 119.707 119.070 -0.053 0.000 2.673 346 H HA 0.598 5.154 4.556 -0.000 0.000 0.293 346 H C 1.364 176.590 175.328 -0.169 0.000 1.065 346 H CA -0.161 55.765 56.048 -0.203 0.000 1.236 346 H CB 0.361 29.832 29.762 -0.485 0.000 1.389 346 H HN 0.785 nan 8.280 nan 0.000 0.481 347 S N 5.183 120.950 115.700 0.112 0.000 2.763 347 S HA 0.154 4.624 4.470 -0.000 0.000 0.237 347 S C 1.281 175.828 174.600 -0.089 0.000 0.966 347 S CA -0.073 58.122 58.200 -0.009 0.000 1.017 347 S CB -0.771 62.443 63.200 0.024 0.000 0.780 347 S HN 0.718 nan 8.310 nan 0.000 0.476 348 L N -0.314 120.716 121.223 -0.322 0.000 4.782 348 L HA -0.350 3.990 4.340 -0.000 0.000 0.053 348 L C 2.225 179.069 176.870 -0.042 0.000 3.426 348 L CA 1.548 56.178 54.840 -0.350 0.000 1.357 348 L CB -2.058 39.842 42.059 -0.264 0.000 3.081 348 L HN 0.470 nan 8.230 nan 0.000 0.912 349 G N -1.385 107.384 108.800 -0.052 0.000 2.534 349 G HA2 0.177 4.137 3.960 -0.000 0.000 0.217 349 G HA3 0.177 4.137 3.960 -0.000 0.000 0.217 349 G C 1.344 176.246 174.900 0.003 0.000 1.128 349 G CA 1.215 46.303 45.100 -0.020 0.000 0.784 349 G HN 0.812 nan 8.290 nan 0.000 0.542 350 A N 0.469 123.289 122.820 0.001 0.000 1.984 350 A HA 0.248 4.568 4.320 -0.000 0.000 0.214 350 A C 2.160 179.772 177.584 0.047 0.000 1.173 350 A CA 0.727 52.772 52.037 0.013 0.000 0.673 350 A CB -0.204 18.792 19.000 -0.007 0.000 0.830 350 A HN 0.272 nan 8.150 nan 0.000 0.453 351 I N 0.934 121.546 120.570 0.069 0.000 2.236 351 I HA -0.230 3.940 4.170 -0.000 0.000 0.249 351 I C 2.308 178.483 176.117 0.097 0.000 1.102 351 I CA 1.484 62.833 61.300 0.081 0.000 1.365 351 I CB -0.722 37.323 38.000 0.074 0.000 1.051 351 I HN 0.258 nan 8.210 nan 0.000 0.420 352 G N -1.142 107.721 108.800 0.104 0.000 2.469 352 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.219 352 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.219 352 G C 1.736 176.727 174.900 0.153 0.000 1.150 352 G CA 1.103 46.277 45.100 0.122 0.000 0.763 352 G HN 0.479 nan 8.290 nan 0.000 0.561 353 S N 0.150 115.948 115.700 0.165 0.000 2.371 353 S HA 0.058 4.528 4.470 -0.000 0.000 0.224 353 S C 2.274 177.057 174.600 0.305 0.000 1.029 353 S CA 0.320 58.693 58.200 0.287 0.000 0.978 353 S CB -0.150 63.181 63.200 0.217 0.000 0.833 353 S HN 0.149 nan 8.310 nan 0.000 0.466 354 L N 2.024 123.344 121.223 0.162 0.000 2.042 354 L HA -0.130 4.209 4.340 -0.000 0.000 0.210 354 L C 2.325 179.391 176.870 0.326 0.000 1.076 354 L CA 1.803 56.729 54.840 0.144 0.000 0.749 354 L CB -1.475 40.622 42.059 0.063 0.000 0.893 354 L HN 0.446 nan 8.230 nan 0.000 0.432 355 E N -0.195 120.166 120.200 0.268 0.000 2.077 355 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 355 E C 2.316 179.070 176.600 0.256 0.000 0.989 355 E CA 0.936 57.495 56.400 0.264 0.000 0.800 355 E CB -0.085 29.721 29.700 0.178 0.000 0.746 355 E HN 0.449 nan 8.360 nan 0.000 0.452 356 I N 1.379 122.079 120.570 0.217 0.000 2.208 356 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 356 I C 2.601 178.819 176.117 0.168 0.000 1.097 356 I CA 1.056 62.410 61.300 0.091 0.000 1.363 356 I CB -0.360 37.578 38.000 -0.103 0.000 1.051 356 I HN 0.094 nan 8.210 nan 0.000 0.413 357 A N 0.738 123.841 122.820 0.472 0.000 1.883 357 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 357 A C 2.555 180.363 177.584 0.373 0.000 1.186 357 A CA 2.059 54.408 52.037 0.520 0.000 0.624 357 A CB -0.946 18.345 19.000 0.484 0.000 0.822 357 A HN 0.448 nan 8.150 nan 0.000 0.444 358 A N -1.026 122.073 122.820 0.466 0.000 1.908 358 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 358 A C 2.331 180.078 177.584 0.271 0.000 1.181 358 A CA 1.756 54.044 52.037 0.419 0.000 0.627 358 A CB -1.324 17.945 19.000 0.449 0.000 0.818 358 A HN 0.619 nan 8.150 nan 0.000 0.445 359 C N -1.297 118.147 119.300 0.241 0.000 2.432 359 C HA -0.078 4.382 4.460 -0.000 0.000 0.277 359 C C 2.731 177.752 174.990 0.050 0.000 1.249 359 C CA 1.060 60.192 59.018 0.191 0.000 1.725 359 C CB -1.302 26.517 27.740 0.132 0.000 2.028 359 C HN 0.471 nan 8.230 nan 0.000 0.477 360 V N 0.969 120.886 119.914 0.007 0.000 2.332 360 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 360 V C 2.275 178.262 176.094 -0.178 0.000 1.055 360 V CA 1.940 64.207 62.300 -0.053 0.000 1.038 360 V CB -0.618 31.190 31.823 -0.024 0.000 0.651 360 V HN 0.568 nan 8.190 nan 0.000 0.450 361 L N -0.313 120.724 121.223 -0.308 0.000 2.156 361 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 361 L C 2.650 178.931 176.870 -0.983 0.000 1.095 361 L CA 1.189 55.536 54.840 -0.821 0.000 0.770 361 L CB -0.658 40.728 42.059 -1.121 0.000 0.914 361 L HN 0.345 nan 8.230 nan 0.000 0.439 362 A N 0.185 122.704 122.820 -0.501 0.000 1.898 362 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 362 A C 2.213 179.737 177.584 -0.100 0.000 1.181 362 A CA 1.267 53.225 52.037 -0.131 0.000 0.620 362 A CB -0.642 18.436 19.000 0.130 0.000 0.819 362 A HN 0.342 nan 8.150 nan 0.000 0.442 363 L N -0.773 120.394 121.223 -0.095 0.000 2.131 363 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 363 L C 2.639 179.447 176.870 -0.104 0.000 1.092 363 L CA 1.777 56.581 54.840 -0.060 0.000 0.759 363 L CB -0.379 41.656 42.059 -0.040 0.000 0.903 363 L HN 0.637 nan 8.230 nan 0.000 0.435 364 E N -0.087 119.978 120.200 -0.224 0.000 2.033 364 E HA -0.181 4.169 4.350 -0.000 0.000 0.189 364 E C 1.726 178.236 176.600 -0.151 0.000 0.979 364 E CA 1.021 57.268 56.400 -0.255 0.000 0.802 364 E CB 0.004 29.429 29.700 -0.460 0.000 0.763 364 E HN 0.618 nan 8.360 nan 0.000 0.449 365 H N -1.100 117.876 119.070 -0.157 0.000 2.539 365 H HA 0.221 4.777 4.556 -0.000 0.000 0.267 365 H C 0.679 176.029 175.328 0.037 0.000 0.982 365 H CA -0.116 55.905 56.048 -0.044 0.000 1.146 365 H CB 0.669 30.426 29.762 -0.009 0.000 1.382 365 H HN 0.372 nan 8.280 nan 0.000 0.577 366 G N 1.532 110.395 108.800 0.106 0.000 2.371 366 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.299 366 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.299 366 G C -0.393 174.579 174.900 0.119 0.000 1.014 366 G CA 0.534 45.686 45.100 0.086 0.000 1.097 366 G HN 0.244 nan 8.290 nan 0.000 0.512 367 V N -0.567 119.468 119.914 0.200 0.000 2.841 367 V HA 0.592 4.712 4.120 -0.000 0.000 0.310 367 V C 0.192 176.338 176.094 0.086 0.000 1.090 367 V CA -0.979 61.429 62.300 0.179 0.000 0.930 367 V CB 2.413 34.423 31.823 0.311 0.000 1.014 367 V HN 0.278 nan 8.190 nan 0.000 0.425 368 V N 5.649 125.494 119.914 -0.115 0.000 2.350 368 V HA 0.359 4.479 4.120 -0.000 0.000 0.276 368 V C -2.368 173.559 176.094 -0.278 0.000 1.028 368 V CA -1.967 60.120 62.300 -0.354 0.000 0.860 368 V CB 1.584 33.159 31.823 -0.413 0.000 0.990 368 V HN 0.739 nan 8.190 nan 0.000 0.453 369 P HA 0.189 nan 4.420 nan 0.000 0.268 369 P C -2.481 174.752 177.300 -0.112 0.000 1.205 369 P CA -0.873 62.087 63.100 -0.234 0.000 0.771 369 P CB 0.202 31.806 31.700 -0.160 0.000 0.858 370 P HA 0.144 nan 4.420 nan 0.000 0.278 370 P C -0.789 176.530 177.300 0.032 0.000 1.266 370 P CA -0.222 62.862 63.100 -0.026 0.000 0.807 370 P CB 0.717 32.388 31.700 -0.048 0.000 1.094 371 T N 0.632 115.232 114.554 0.078 0.000 3.145 371 T HA 0.460 4.810 4.350 -0.000 0.000 0.362 371 T C 0.476 175.230 174.700 0.090 0.000 1.340 371 T CA -0.201 61.971 62.100 0.121 0.000 1.069 371 T CB -0.323 68.671 68.868 0.209 0.000 1.129 371 T HN 0.497 nan 8.240 nan 0.000 0.585 372 A N 3.043 125.900 122.820 0.063 0.000 2.492 372 A HA 0.306 4.626 4.320 -0.000 0.000 0.236 372 A C 1.230 178.861 177.584 0.077 0.000 1.078 372 A CA -0.225 51.848 52.037 0.061 0.000 0.773 372 A CB -0.084 18.950 19.000 0.057 0.000 1.023 372 A HN 0.876 nan 8.150 nan 0.000 0.504 373 N N -2.536 116.210 118.700 0.078 0.000 2.929 373 N HA -0.176 4.564 4.740 -0.000 0.000 0.234 373 N C -0.138 175.399 175.510 0.045 0.000 0.908 373 N CA 1.294 54.383 53.050 0.065 0.000 0.993 373 N CB -1.399 37.148 38.487 0.101 0.000 1.075 373 N HN 0.649 nan 8.380 nan 0.000 0.603 374 L N 2.718 123.979 121.223 0.063 0.000 2.536 374 L HA 0.096 4.436 4.340 -0.000 0.000 0.282 374 L C 1.385 178.287 176.870 0.053 0.000 1.147 374 L CA 0.612 55.499 54.840 0.078 0.000 0.936 374 L CB 0.221 42.354 42.059 0.124 0.000 1.279 374 L HN 0.011 nan 8.230 nan 0.000 0.461 375 R N 1.339 121.860 120.500 0.035 0.000 2.076 375 R HA 0.228 4.568 4.340 -0.000 0.000 0.203 375 R C 0.364 176.681 176.300 0.028 0.000 1.229 375 R CA 0.934 57.044 56.100 0.018 0.000 1.094 375 R CB -0.597 29.698 30.300 -0.008 0.000 0.991 375 R HN 0.638 nan 8.270 nan 0.000 0.471 376 T N 1.206 115.778 114.554 0.031 0.000 2.817 376 T HA 0.316 4.666 4.350 -0.000 0.000 0.293 376 T C 0.413 175.148 174.700 0.058 0.000 0.964 376 T CA -0.603 61.519 62.100 0.036 0.000 1.085 376 T CB 1.268 70.152 68.868 0.027 0.000 0.921 376 T HN 0.191 nan 8.240 nan 0.000 0.502 377 S N 2.191 117.928 115.700 0.061 0.000 2.601 377 S HA 0.399 4.869 4.470 -0.000 0.000 0.271 377 S C -0.551 174.099 174.600 0.083 0.000 1.305 377 S CA -0.893 57.359 58.200 0.087 0.000 1.022 377 S CB 1.002 64.247 63.200 0.076 0.000 0.940 377 S HN 0.883 nan 8.310 nan 0.000 0.525 378 D N 1.052 121.519 120.400 0.111 0.000 2.492 378 D HA 0.486 5.126 4.640 -0.000 0.000 0.248 378 D C -2.049 174.316 176.300 0.107 0.000 1.101 378 D CA -2.370 51.688 54.000 0.097 0.000 0.840 378 D CB 1.856 42.715 40.800 0.097 0.000 1.209 378 D HN 0.160 nan 8.370 nan 0.000 0.524 379 P HA -0.156 nan 4.420 nan 0.000 0.217 379 P C 0.393 177.744 177.300 0.085 0.000 1.148 379 P CA 1.241 64.383 63.100 0.071 0.000 0.834 379 P CB 0.267 31.997 31.700 0.050 0.000 0.783 380 E N -1.884 118.372 120.200 0.094 0.000 2.285 380 E HA -0.038 4.312 4.350 -0.000 0.000 0.194 380 E C 0.157 176.854 176.600 0.161 0.000 0.997 380 E CA 0.533 56.995 56.400 0.103 0.000 0.845 380 E CB -0.176 29.576 29.700 0.087 0.000 0.782 380 E HN 0.220 nan 8.360 nan 0.000 0.491 381 C N 3.072 122.497 119.300 0.209 0.000 2.566 381 C HA 0.158 4.618 4.460 -0.000 0.000 0.300 381 C C 0.548 175.775 174.990 0.396 0.000 1.147 381 C CA -1.069 58.165 59.018 0.359 0.000 1.644 381 C CB -0.648 27.287 27.740 0.326 0.000 1.691 381 C HN 0.372 nan 8.230 nan 0.000 0.440 382 D N 0.486 121.023 120.400 0.227 0.000 2.358 382 D HA 0.078 4.718 4.640 -0.000 0.000 0.224 382 D C 0.448 176.709 176.300 -0.064 0.000 1.123 382 D CA 0.056 54.111 54.000 0.091 0.000 0.833 382 D CB 0.418 41.249 40.800 0.053 0.000 0.946 382 D HN 0.469 nan 8.370 nan 0.000 0.505 383 L N -0.117 120.958 121.223 -0.246 0.000 2.440 383 L HA 0.299 4.639 4.340 -0.000 0.000 0.262 383 L C 0.273 176.567 176.870 -0.959 0.000 1.072 383 L CA -1.062 53.421 54.840 -0.595 0.000 0.798 383 L CB 0.639 42.323 42.059 -0.626 0.000 1.307 383 L HN -0.190 nan 8.230 nan 0.000 0.475 384 D N -0.836 119.112 120.400 -0.753 0.000 2.365 384 D HA 0.125 4.765 4.640 -0.000 0.000 0.237 384 D C -0.483 175.414 176.300 -0.672 0.000 1.190 384 D CA 0.000 53.664 54.000 -0.560 0.000 0.867 384 D CB 0.380 40.995 40.800 -0.309 0.000 1.050 384 D HN 0.216 nan 8.370 nan 0.000 0.491 385 Y N 2.746 122.936 120.300 -0.183 0.000 2.683 385 Y HA 0.196 4.746 4.550 -0.000 0.000 0.297 385 Y C 0.752 176.607 175.900 -0.075 0.000 1.147 385 Y CA -0.728 57.246 58.100 -0.211 0.000 1.274 385 Y CB -0.192 38.080 38.460 -0.315 0.000 1.143 385 Y HN 0.176 nan 8.280 nan 0.000 0.527 386 V N 1.298 121.212 119.914 0.001 0.000 5.889 386 V HA -0.232 3.888 4.120 -0.000 0.000 0.209 386 V C -2.321 173.797 176.094 0.041 0.000 0.681 386 V CA -0.555 61.750 62.300 0.007 0.000 0.547 386 V CB -1.550 30.277 31.823 0.007 0.000 0.309 386 V HN 0.273 nan 8.190 nan 0.000 0.471 387 P HA 0.396 nan 4.420 nan 0.000 0.271 387 P C 1.225 178.539 177.300 0.023 0.000 1.216 387 P CA 0.171 63.304 63.100 0.056 0.000 0.776 387 P CB 1.932 33.669 31.700 0.061 0.000 0.881 388 L N -1.802 119.435 121.223 0.025 0.000 3.497 388 L HA -0.311 4.028 4.340 -0.000 0.000 0.054 388 L C 0.903 177.763 176.870 -0.016 0.000 4.400 388 L CA 1.700 56.543 54.840 0.006 0.000 0.545 388 L CB -1.952 40.107 42.059 -0.000 0.000 3.530 388 L HN 0.388 nan 8.230 nan 0.000 0.785 389 E N 0.891 121.076 120.200 -0.025 0.000 2.301 389 E HA 0.599 4.949 4.350 -0.000 0.000 0.275 389 E C 0.112 176.674 176.600 -0.062 0.000 1.030 389 E CA 0.519 56.892 56.400 -0.044 0.000 0.852 389 E CB 1.436 31.113 29.700 -0.039 0.000 1.060 389 E HN 0.344 nan 8.360 nan 0.000 0.401 390 A N 4.239 127.004 122.820 -0.091 0.000 2.409 390 A HA 0.344 4.664 4.320 -0.000 0.000 0.246 390 A C -0.099 177.430 177.584 -0.091 0.000 1.099 390 A CA 0.113 52.078 52.037 -0.120 0.000 0.789 390 A CB 0.357 19.254 19.000 -0.171 0.000 1.053 390 A HN 0.619 nan 8.150 nan 0.000 0.503 391 R N 0.173 120.615 120.500 -0.097 0.000 2.514 391 R HA 0.282 4.622 4.340 -0.000 0.000 0.296 391 R C -0.866 175.399 176.300 -0.060 0.000 1.012 391 R CA -0.334 55.722 56.100 -0.073 0.000 0.897 391 R CB 1.206 31.462 30.300 -0.075 0.000 1.184 391 R HN 0.906 nan 8.270 nan 0.000 0.440 392 E N 4.544 124.723 120.200 -0.035 0.000 2.299 392 E HA 0.095 4.445 4.350 -0.000 0.000 0.272 392 E C -0.895 175.696 176.600 -0.014 0.000 1.043 392 E CA 0.042 56.436 56.400 -0.010 0.000 0.895 392 E CB 0.740 30.438 29.700 -0.003 0.000 1.011 392 E HN 0.415 nan 8.360 nan 0.000 0.432 393 R N 3.398 123.894 120.500 -0.007 0.000 2.739 393 R HA 0.276 4.616 4.340 -0.000 0.000 0.271 393 R C -1.395 174.910 176.300 0.009 0.000 1.010 393 R CA -0.942 55.153 56.100 -0.008 0.000 0.897 393 R CB 1.154 31.437 30.300 -0.028 0.000 1.236 393 R HN 0.195 nan 8.270 nan 0.000 0.466 394 K N 2.741 123.149 120.400 0.013 0.000 2.250 394 K HA 0.304 4.624 4.320 -0.000 0.000 0.285 394 K C -0.890 175.727 176.600 0.028 0.000 1.097 394 K CA -0.246 56.053 56.287 0.020 0.000 0.913 394 K CB 0.460 32.970 32.500 0.017 0.000 1.179 394 K HN 0.270 nan 8.250 nan 0.000 0.462 395 L N 4.333 125.574 121.223 0.031 0.000 2.282 395 L HA 0.460 4.800 4.340 -0.000 0.000 0.288 395 L C 1.031 177.921 176.870 0.034 0.000 1.033 395 L CA 0.113 54.981 54.840 0.047 0.000 0.807 395 L CB 1.324 43.422 42.059 0.065 0.000 1.209 395 L HN 0.675 nan 8.230 nan 0.000 0.423 396 R N 0.545 121.066 120.500 0.036 0.000 2.470 396 R HA 0.248 4.588 4.340 -0.000 0.000 0.210 396 R C -0.166 176.144 176.300 0.017 0.000 0.873 396 R CA 0.015 56.126 56.100 0.019 0.000 1.015 396 R CB 0.865 31.173 30.300 0.013 0.000 1.348 396 R HN 0.527 nan 8.270 nan 0.000 0.650 397 S N 1.128 116.847 115.700 0.032 0.000 2.672 397 S HA 0.417 4.887 4.470 -0.000 0.000 0.291 397 S C -0.719 173.911 174.600 0.049 0.000 1.145 397 S CA -0.758 57.457 58.200 0.026 0.000 1.013 397 S CB 2.262 65.470 63.200 0.013 0.000 1.017 397 S HN 0.139 nan 8.310 nan 0.000 0.487 398 V N 1.665 121.605 119.914 0.043 0.000 2.960 398 V HA 0.914 5.034 4.120 -0.000 0.000 0.315 398 V C -1.071 175.017 176.094 -0.010 0.000 1.087 398 V CA -1.037 61.289 62.300 0.043 0.000 0.982 398 V CB 1.744 33.633 31.823 0.111 0.000 1.039 398 V HN 0.684 nan 8.190 nan 0.000 0.437 399 L N 2.056 123.239 121.223 -0.068 0.000 2.386 399 L HA 0.898 5.238 4.340 -0.000 0.000 0.271 399 L C -0.325 176.495 176.870 -0.084 0.000 0.993 399 L CA 0.207 55.016 54.840 -0.051 0.000 0.819 399 L CB 2.041 44.082 42.059 -0.030 0.000 1.294 399 L HN 1.119 nan 8.230 nan 0.000 0.414 400 T N 4.534 119.082 114.554 -0.010 0.000 2.886 400 T HA 0.765 5.115 4.350 -0.000 0.000 0.292 400 T C -1.142 173.610 174.700 0.086 0.000 1.012 400 T CA -0.104 62.008 62.100 0.020 0.000 0.982 400 T CB 1.060 69.948 68.868 0.033 0.000 1.018 400 T HN 0.822 nan 8.240 nan 0.000 0.451 401 V N 1.541 121.536 119.914 0.136 0.000 3.074 401 V HA 1.111 5.231 4.120 -0.000 0.000 0.314 401 V C -0.002 176.195 176.094 0.172 0.000 1.117 401 V CA -0.602 61.785 62.300 0.146 0.000 1.014 401 V CB 1.617 33.540 31.823 0.166 0.000 1.057 401 V HN 1.197 nan 8.190 nan 0.000 0.438 402 G N 0.168 109.030 108.800 0.102 0.000 2.698 402 G HA2 0.667 4.627 3.960 -0.000 0.000 0.293 402 G HA3 0.667 4.627 3.960 -0.000 0.000 0.293 402 G C -1.366 173.401 174.900 -0.222 0.000 1.437 402 G CA -0.504 44.621 45.100 0.042 0.000 0.852 402 G HN 1.024 nan 8.290 nan 0.000 0.499 403 S N -1.337 113.931 115.700 -0.719 0.000 2.541 403 S HA 0.909 5.379 4.470 -0.000 0.000 0.280 403 S C -0.010 174.415 174.600 -0.291 0.000 1.112 403 S CA -0.234 57.718 58.200 -0.414 0.000 0.925 403 S CB 2.048 65.002 63.200 -0.409 0.000 1.067 403 S HN 1.396 nan 8.310 nan 0.000 0.479 404 G N 0.824 109.619 108.800 -0.008 0.000 2.672 404 G HA2 0.668 4.628 3.960 -0.000 0.000 0.292 404 G HA3 0.668 4.628 3.960 -0.000 0.000 0.292 404 G C -1.244 173.819 174.900 0.273 0.000 1.375 404 G CA -0.697 44.440 45.100 0.061 0.000 0.890 404 G HN 0.393 nan 8.290 nan 0.000 0.476 405 F N 0.466 120.532 119.950 0.192 0.000 2.628 405 F HA 0.367 4.894 4.527 -0.000 0.000 0.362 405 F C 1.739 177.674 175.800 0.226 0.000 1.148 405 F CA 1.237 59.345 58.000 0.180 0.000 1.352 405 F CB 0.764 39.866 39.000 0.171 0.000 1.081 405 F HN 1.158 nan 8.300 nan 0.000 0.605 406 G N 0.457 109.423 108.800 0.277 0.000 2.213 406 G HA2 0.071 4.031 3.960 -0.000 0.000 0.226 406 G HA3 0.071 4.031 3.960 -0.000 0.000 0.226 406 G C 0.954 175.715 174.900 -0.232 0.000 0.992 406 G CA 0.297 45.416 45.100 0.031 0.000 0.632 406 G HN 1.915 nan 8.290 nan 0.000 0.511 407 G N -1.069 107.703 108.800 -0.046 0.000 2.141 407 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.231 407 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.231 407 G C 0.263 175.090 174.900 -0.122 0.000 0.984 407 G CA 0.284 45.334 45.100 -0.083 0.000 0.660 407 G HN 1.225 nan 8.290 nan 0.000 0.525 408 F N 1.439 121.417 119.950 0.046 0.000 2.495 408 F HA 0.506 5.033 4.527 -0.000 0.000 0.365 408 F C 0.868 176.664 175.800 -0.007 0.000 1.090 408 F CA 0.219 58.233 58.000 0.024 0.000 1.235 408 F CB 0.932 39.951 39.000 0.033 0.000 1.119 408 F HN 0.012 nan 8.300 nan 0.000 0.562 409 Q N 2.873 122.777 119.800 0.173 0.000 2.321 409 Q HA 0.546 4.886 4.340 -0.000 0.000 0.270 409 Q C -1.032 175.006 176.000 0.064 0.000 1.032 409 Q CA -0.676 55.177 55.803 0.083 0.000 0.784 409 Q CB 2.275 31.049 28.738 0.060 0.000 1.264 409 Q HN 0.607 nan 8.270 nan 0.000 0.448 410 S N 0.513 116.240 115.700 0.045 0.000 2.569 410 S HA 0.963 5.433 4.470 -0.000 0.000 0.280 410 S C -1.195 173.422 174.600 0.028 0.000 1.111 410 S CA -0.726 57.486 58.200 0.020 0.000 0.887 410 S CB 2.126 65.385 63.200 0.098 0.000 1.095 410 S HN 0.690 nan 8.310 nan 0.000 0.476 411 A N 1.852 124.665 122.820 -0.012 0.000 2.549 411 A HA 0.891 5.211 4.320 -0.000 0.000 0.297 411 A C -1.267 176.354 177.584 0.062 0.000 1.061 411 A CA -0.586 51.470 52.037 0.033 0.000 0.690 411 A CB 1.699 20.707 19.000 0.013 0.000 1.287 411 A HN 0.813 nan 8.150 nan 0.000 0.402 412 M N 2.018 121.675 119.600 0.095 0.000 2.371 412 M HA 0.581 5.061 4.480 -0.000 0.000 0.287 412 M C -2.026 174.305 176.300 0.052 0.000 1.149 412 M CA -0.551 54.822 55.300 0.121 0.000 0.929 412 M CB 2.108 34.800 32.600 0.155 0.000 1.683 412 M HN 0.484 nan 8.290 nan 0.000 0.470 413 V N 5.438 125.373 119.914 0.036 0.000 2.435 413 V HA 0.581 4.701 4.120 -0.000 0.000 0.290 413 V C -0.639 175.448 176.094 -0.012 0.000 1.030 413 V CA -0.588 61.716 62.300 0.008 0.000 0.881 413 V CB 1.599 33.423 31.823 0.003 0.000 0.983 413 V HN 0.766 nan 8.190 nan 0.000 0.445 414 L N 5.922 127.134 121.223 -0.019 0.000 2.362 414 L HA 0.787 5.127 4.340 -0.000 0.000 0.271 414 L C -0.146 176.708 176.870 -0.026 0.000 1.002 414 L CA -0.659 54.159 54.840 -0.037 0.000 0.818 414 L CB 2.039 44.072 42.059 -0.045 0.000 1.298 414 L HN 0.748 nan 8.230 nan 0.000 0.420 415 R N 0.374 120.849 120.500 -0.042 0.000 2.771 415 R HA 0.494 4.834 4.340 -0.000 0.000 0.274 415 R C -1.543 174.734 176.300 -0.039 0.000 0.987 415 R CA -0.803 55.277 56.100 -0.034 0.000 0.908 415 R CB 2.104 32.378 30.300 -0.044 0.000 1.213 415 R HN 0.639 nan 8.270 nan 0.000 0.468 416 D N 1.740 122.125 120.400 -0.026 0.000 2.384 416 D HA 0.193 4.833 4.640 -0.000 0.000 0.244 416 D C 1.240 177.526 176.300 -0.023 0.000 1.251 416 D CA -0.042 53.942 54.000 -0.025 0.000 0.961 416 D CB 0.556 41.343 40.800 -0.021 0.000 1.116 416 D HN 0.593 nan 8.370 nan 0.000 0.484 417 A N -0.207 122.607 122.820 -0.010 0.000 1.902 417 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 417 A C 2.027 179.627 177.584 0.027 0.000 1.181 417 A CA 2.039 54.089 52.037 0.022 0.000 0.623 417 A CB -1.119 17.896 19.000 0.025 0.000 0.818 417 A HN 0.711 nan 8.150 nan 0.000 0.443 418 E N -0.183 120.023 120.200 0.010 0.000 2.049 418 E HA -0.163 4.187 4.350 -0.000 0.000 0.198 418 E C 2.064 178.669 176.600 0.009 0.000 1.007 418 E CA 2.324 58.731 56.400 0.011 0.000 0.809 418 E CB -0.658 29.044 29.700 0.003 0.000 0.749 418 E HN 0.535 nan 8.360 nan 0.000 0.450 419 T N 0.281 114.832 114.554 -0.005 0.000 2.788 419 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 419 T C 1.804 176.487 174.700 -0.028 0.000 1.044 419 T CA 1.352 63.443 62.100 -0.015 0.000 1.139 419 T CB -0.494 68.362 68.868 -0.020 0.000 0.867 419 T HN 0.351 nan 8.240 nan 0.000 0.454 420 A N 1.539 124.332 122.820 -0.044 0.000 1.877 420 A HA 0.124 4.444 4.320 -0.000 0.000 0.216 420 A C 2.659 180.233 177.584 -0.018 0.000 1.186 420 A CA 1.821 53.793 52.037 -0.108 0.000 0.620 420 A CB -1.399 17.483 19.000 -0.196 0.000 0.822 420 A HN 0.504 nan 8.150 nan 0.000 0.443 421 G N -0.572 108.274 108.800 0.077 0.000 2.418 421 G HA2 0.018 3.978 3.960 -0.000 0.000 0.217 421 G HA3 0.018 3.978 3.960 -0.000 0.000 0.217 421 G C 1.706 176.643 174.900 0.062 0.000 1.158 421 G CA 1.370 46.542 45.100 0.120 0.000 0.771 421 G HN 0.848 nan 8.290 nan 0.000 0.545 422 A N 0.745 123.583 122.820 0.030 0.000 2.070 422 A HA 0.512 4.832 4.320 -0.000 0.000 0.220 422 A C 1.921 179.511 177.584 0.009 0.000 1.159 422 A CA 1.393 53.439 52.037 0.016 0.000 0.656 422 A CB -0.577 18.427 19.000 0.007 0.000 0.800 422 A HN 0.862 nan 8.150 nan 0.000 0.453 423 A N 0.000 122.820 122.820 -0.001 0.000 2.254 423 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 423 A CA 0.000 52.029 52.037 -0.013 0.000 0.836 423 A CB 0.000 18.973 19.000 -0.046 0.000 0.831 423 A HN 0.000 nan 8.150 nan 0.000 0.486