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 1jin_1_A DATA FIRST_RESID 2 DATA SEQUENCE ATVPDLESDS FHVDWYSTYA ELRETAPVTP VRFLGQDAWL VTGYDEAKAA DATA SEQUENCE LSDLRLSSDP KKKYPGVEVE FPAYLGFPED VRNYFATNMG TSDPPTHTRL DATA SEQUENCE RKLVSQEFTV RRVEAMRPRV EQITAELLDE VGDSGVVDIV DRFAHPLPIK DATA SEQUENCE VICELLGVDE AARGAFGRWS SEILVMDPER AEQRGQAARE VVNFILDLVE DATA SEQUENCE RRRTEPGDDL LSALISVQDD DDGRLSADEL TSIALVLLLA GFEASVSLIG DATA SEQUENCE IGTYLLLTHP DQLALVRADP SALPNAVEEI LRYIAPPETT TRFAAEEVEI DATA SEQUENCE GGVAIPQYST VLVANGAANR DPSQFPDPHR FDVTRDTRGH LSFGQGIHFC DATA SEQUENCE MGRPLAKLEG EVALRALFGR FPALSLGIDA DDVVWRRSLL LRGIDHLPVR DATA SEQUENCE LDG 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.580 177.584 -0.007 0.000 1.274 2 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 2 A CB 0.000 18.996 19.000 -0.006 0.000 0.831 3 T N 0.988 115.539 114.554 -0.005 0.000 2.779 3 T HA 0.587 5.173 4.350 0.394 0.000 0.280 3 T C -0.593 174.102 174.700 -0.009 0.000 0.987 3 T CA -0.409 61.689 62.100 -0.003 0.000 0.966 3 T CB 1.215 70.086 68.868 0.005 0.000 0.933 3 T HN 0.890 nan 8.240 nan 0.000 0.442 4 V N 5.294 125.200 119.914 -0.015 0.000 2.417 4 V HA 0.371 4.727 4.120 0.394 0.000 0.291 4 V C -2.143 173.952 176.094 0.002 0.000 1.024 4 V CA -2.115 60.167 62.300 -0.030 0.000 0.861 4 V CB 1.074 32.857 31.823 -0.067 0.000 0.985 4 V HN 0.720 nan 8.190 nan 0.000 0.436 5 P HA 0.142 nan 4.420 nan 0.000 0.266 5 P C -0.837 176.489 177.300 0.043 0.000 1.195 5 P CA -0.046 63.122 63.100 0.113 0.000 0.768 5 P CB 0.412 32.247 31.700 0.225 0.000 0.838 6 D N 2.310 122.765 120.400 0.092 0.000 2.392 6 D HA 0.128 5.005 4.640 0.394 0.000 0.228 6 D C 1.124 177.370 176.300 -0.090 0.000 1.074 6 D CA -0.267 53.744 54.000 0.019 0.000 0.838 6 D CB 0.692 41.534 40.800 0.070 0.000 1.067 6 D HN 0.234 nan 8.370 nan 0.000 0.511 7 L N 2.587 123.554 121.223 -0.427 0.000 2.450 7 L HA -0.109 4.468 4.340 0.394 0.000 0.224 7 L C 1.553 178.222 176.870 -0.336 0.000 1.149 7 L CA 0.916 55.186 54.840 -0.950 0.000 0.816 7 L CB -0.084 41.233 42.059 -1.237 0.000 0.932 7 L HN 0.430 nan 8.230 nan 0.000 0.449 8 E N -0.174 120.037 120.200 0.018 0.000 2.299 8 E HA -0.041 4.545 4.350 0.394 0.000 0.193 8 E C 1.138 177.872 176.600 0.224 0.000 0.998 8 E CA 0.275 56.790 56.400 0.192 0.000 0.851 8 E CB 0.192 30.005 29.700 0.187 0.000 0.795 8 E HN 0.454 nan 8.360 nan 0.000 0.492 9 S N 0.837 116.667 115.700 0.218 0.000 2.584 9 S HA -0.011 4.695 4.470 0.394 0.000 0.270 9 S C 0.436 175.181 174.600 0.243 0.000 1.346 9 S CA -0.491 57.831 58.200 0.203 0.000 1.018 9 S CB 1.046 64.347 63.200 0.168 0.000 0.899 9 S HN -0.087 nan 8.310 nan 0.000 0.542 10 D N 1.252 121.746 120.400 0.157 0.000 2.311 10 D HA -0.050 4.826 4.640 0.394 0.000 0.212 10 D C 1.763 178.093 176.300 0.051 0.000 0.972 10 D CA 1.381 55.466 54.000 0.141 0.000 0.887 10 D CB -0.267 40.583 40.800 0.083 0.000 0.915 10 D HN 0.579 nan 8.370 nan 0.000 0.497 11 S N -0.397 115.281 115.700 -0.037 0.000 2.419 11 S HA -0.117 4.589 4.470 0.394 0.000 0.233 11 S C 1.108 175.395 174.600 -0.521 0.000 1.016 11 S CA 0.588 58.629 58.200 -0.266 0.000 0.974 11 S CB -0.192 62.799 63.200 -0.348 0.000 0.786 11 S HN 0.301 nan 8.310 nan 0.000 0.492 12 F N 0.428 120.206 119.950 -0.287 0.000 2.641 12 F HA 0.284 5.046 4.527 0.391 0.000 0.302 12 F C 1.524 176.727 175.800 -0.995 0.000 1.098 12 F CA 0.030 57.662 58.000 -0.612 0.000 1.318 12 F CB 0.186 38.789 39.000 -0.661 0.000 1.035 12 F HN 0.264 nan 8.300 nan 0.000 0.551 13 H N -2.150 116.865 119.070 -0.092 0.000 3.787 13 H HA 0.360 5.151 4.556 0.392 0.000 0.262 13 H C -0.457 174.946 175.328 0.126 0.000 1.181 13 H CA 0.338 56.275 56.048 -0.185 0.000 1.159 13 H CB 0.855 30.535 29.762 -0.136 0.000 1.563 13 H HN -0.186 nan 8.280 nan 0.000 0.699 14 V N 2.332 122.394 119.914 0.246 0.000 2.376 14 V HA 0.114 4.470 4.120 0.394 0.000 0.287 14 V C 0.188 176.336 176.094 0.091 0.000 1.015 14 V CA -0.633 61.793 62.300 0.209 0.000 0.834 14 V CB 1.772 33.662 31.823 0.110 0.000 1.001 14 V HN 0.323 nan 8.190 nan 0.000 0.428 15 D N 3.214 123.616 120.400 0.003 0.000 2.837 15 D HA -0.273 4.603 4.640 0.394 0.000 0.230 15 D C 0.865 176.987 176.300 -0.297 0.000 1.152 15 D CA 1.560 55.429 54.000 -0.219 0.000 0.736 15 D CB -0.729 40.002 40.800 -0.115 0.000 1.084 15 D HN 0.875 nan 8.370 nan 0.000 0.429 16 W N -1.450 119.604 121.300 -0.410 0.000 2.359 16 W HA -0.158 4.733 4.660 0.385 0.000 0.275 16 W C 1.354 177.412 176.519 -0.767 0.000 1.217 16 W CA 0.761 57.693 57.345 -0.688 0.000 1.196 16 W CB -0.986 27.973 29.460 -0.835 0.000 1.129 16 W HN 0.200 nan 8.180 nan 0.000 0.566 17 Y N 0.976 120.817 120.300 -0.766 0.000 2.583 17 Y HA -0.032 4.758 4.550 0.400 0.000 0.293 17 Y C 2.713 178.528 175.900 -0.140 0.000 1.157 17 Y CA 1.327 59.177 58.100 -0.418 0.000 1.315 17 Y CB -0.562 37.564 38.460 -0.557 0.000 1.021 17 Y HN 0.165 nan 8.280 nan 0.000 0.536 18 S N -1.391 114.256 115.700 -0.088 0.000 2.421 18 S HA -0.098 4.609 4.470 0.394 0.000 0.224 18 S C 2.073 176.621 174.600 -0.086 0.000 1.035 18 S CA 1.445 59.623 58.200 -0.038 0.000 0.953 18 S CB -0.167 62.979 63.200 -0.090 0.000 0.810 18 S HN 0.427 nan 8.310 nan 0.000 0.497 19 T N 1.160 115.574 114.554 -0.234 0.000 2.737 19 T HA -0.034 4.552 4.350 0.394 0.000 0.265 19 T C 1.384 176.018 174.700 -0.109 0.000 1.038 19 T CA 1.240 63.157 62.100 -0.305 0.000 1.144 19 T CB -0.486 67.964 68.868 -0.698 0.000 0.866 19 T HN 0.395 nan 8.240 nan 0.000 0.434 20 Y N 1.740 121.985 120.300 -0.093 0.000 2.207 20 Y HA -0.023 4.760 4.550 0.389 0.000 0.287 20 Y C 2.752 178.689 175.900 0.062 0.000 1.156 20 Y CA 0.112 58.225 58.100 0.021 0.000 1.182 20 Y CB -1.262 37.233 38.460 0.059 0.000 0.979 20 Y HN 0.224 nan 8.280 nan 0.000 0.521 21 A N -0.222 122.739 122.820 0.234 0.000 1.930 21 A HA -0.164 4.392 4.320 0.394 0.000 0.217 21 A C 2.179 179.829 177.584 0.110 0.000 1.175 21 A CA 1.522 53.665 52.037 0.176 0.000 0.627 21 A CB -0.558 18.550 19.000 0.180 0.000 0.815 21 A HN 0.487 nan 8.150 nan 0.000 0.443 22 E N -0.160 120.081 120.200 0.069 0.000 2.077 22 E HA -0.143 4.443 4.350 0.394 0.000 0.193 22 E C 1.969 178.606 176.600 0.061 0.000 0.989 22 E CA 1.129 57.553 56.400 0.039 0.000 0.800 22 E CB -0.254 29.442 29.700 -0.006 0.000 0.746 22 E HN 0.626 nan 8.360 nan 0.000 0.452 23 L N 0.357 121.636 121.223 0.092 0.000 2.005 23 L HA -0.162 4.414 4.340 0.394 0.000 0.207 23 L C 2.788 179.723 176.870 0.108 0.000 1.072 23 L CA 1.091 55.999 54.840 0.113 0.000 0.744 23 L CB -0.442 41.724 42.059 0.178 0.000 0.895 23 L HN 0.074 nan 8.230 nan 0.000 0.433 24 R N 0.653 121.225 120.500 0.121 0.000 2.105 24 R HA -0.224 4.352 4.340 0.394 0.000 0.239 24 R C 2.242 178.595 176.300 0.088 0.000 1.135 24 R CA 2.048 58.211 56.100 0.106 0.000 0.967 24 R CB -0.143 30.228 30.300 0.119 0.000 0.861 24 R HN 0.605 nan 8.270 nan 0.000 0.442 25 E N -1.130 119.118 120.200 0.080 0.000 2.150 25 E HA -0.106 4.480 4.350 0.394 0.000 0.193 25 E C 1.279 177.912 176.600 0.055 0.000 0.985 25 E CA 1.496 57.934 56.400 0.062 0.000 0.814 25 E CB -0.125 29.606 29.700 0.053 0.000 0.752 25 E HN 0.192 nan 8.360 nan 0.000 0.466 26 T N 0.693 115.281 114.554 0.057 0.000 2.684 26 T HA 0.191 4.777 4.350 0.394 0.000 0.253 26 T C 0.679 175.415 174.700 0.060 0.000 1.057 26 T CA 1.169 63.301 62.100 0.052 0.000 1.162 26 T CB 0.045 68.943 68.868 0.050 0.000 0.868 26 T HN 0.361 nan 8.240 nan 0.000 0.409 27 A N 0.896 123.759 122.820 0.073 0.000 2.466 27 A HA 0.622 5.178 4.320 0.394 0.000 0.284 27 A C -2.442 175.200 177.584 0.095 0.000 1.049 27 A CA -1.243 50.844 52.037 0.083 0.000 0.760 27 A CB 1.316 20.372 19.000 0.093 0.000 1.274 27 A HN 0.031 nan 8.150 nan 0.000 0.412 28 P HA -0.082 nan 4.420 nan 0.000 0.218 28 P C 0.118 177.477 177.300 0.098 0.000 1.146 28 P CA 1.378 64.530 63.100 0.086 0.000 0.813 28 P CB 0.201 31.944 31.700 0.072 0.000 0.778 29 V N -0.466 119.525 119.914 0.129 0.000 2.380 29 V HA 0.332 4.688 4.120 0.394 0.000 0.286 29 V C -0.002 176.269 176.094 0.294 0.000 1.015 29 V CA -0.511 61.907 62.300 0.197 0.000 0.834 29 V CB 1.365 33.282 31.823 0.158 0.000 1.009 29 V HN 0.009 nan 8.190 nan 0.000 0.428 30 T N 3.223 117.928 114.554 0.251 0.000 2.907 30 T HA 0.712 5.298 4.350 0.394 0.000 0.292 30 T C -3.139 171.477 174.700 -0.141 0.000 1.043 30 T CA -2.375 59.797 62.100 0.120 0.000 1.003 30 T CB 2.767 71.668 68.868 0.055 0.000 1.084 30 T HN 0.396 nan 8.240 nan 0.000 0.483 31 P HA 0.469 nan 4.420 nan 0.000 0.284 31 P C -0.512 176.538 177.300 -0.417 0.000 1.253 31 P CA -0.447 62.096 63.100 -0.927 0.000 0.800 31 P CB 1.428 32.479 31.700 -1.081 0.000 0.961 32 V N 1.114 120.819 119.914 -0.347 0.000 3.105 32 V HA 0.712 5.068 4.120 0.394 0.000 0.311 32 V C -0.571 175.431 176.094 -0.154 0.000 1.287 32 V CA -1.292 60.893 62.300 -0.193 0.000 1.066 32 V CB 2.118 33.837 31.823 -0.174 0.000 1.105 32 V HN 0.371 nan 8.190 nan 0.000 0.462 33 R N 0.404 120.848 120.500 -0.093 0.000 2.621 33 R HA 0.755 5.331 4.340 0.394 0.000 0.292 33 R C -2.118 174.222 176.300 0.066 0.000 0.969 33 R CA -0.361 55.724 56.100 -0.026 0.000 0.887 33 R CB 2.334 32.621 30.300 -0.021 0.000 1.180 33 R HN 0.710 nan 8.270 nan 0.000 0.450 34 F N 3.634 123.514 119.950 -0.116 0.000 2.605 34 F HA 0.280 5.044 4.527 0.395 0.000 0.320 34 F C -0.098 175.652 175.800 -0.082 0.000 1.159 34 F CA -1.391 56.541 58.000 -0.113 0.000 0.999 34 F CB 0.798 39.721 39.000 -0.128 0.000 1.258 34 F HN 0.567 nan 8.300 nan 0.000 0.464 35 L N 5.680 126.774 121.223 -0.215 0.000 3.717 35 L HA -0.229 4.347 4.340 0.394 0.000 0.414 35 L C 0.963 177.728 176.870 -0.175 0.000 1.228 35 L CA 0.936 55.574 54.840 -0.337 0.000 0.918 35 L CB -1.896 39.782 42.059 -0.634 0.000 1.865 35 L HN 1.311 nan 8.230 nan 0.000 0.922 36 G N 0.080 108.832 108.800 -0.081 0.000 2.314 36 G HA2 -0.270 3.927 3.960 0.394 0.000 0.292 36 G HA3 -0.270 3.927 3.960 0.394 0.000 0.292 36 G C -0.156 174.705 174.900 -0.066 0.000 1.059 36 G CA 0.892 45.957 45.100 -0.060 0.000 0.982 36 G HN 0.667 nan 8.290 nan 0.000 0.505 37 Q N -0.652 119.115 119.800 -0.056 0.000 2.377 37 Q HA 0.387 4.963 4.340 0.394 0.000 0.279 37 Q C -1.328 174.657 176.000 -0.025 0.000 1.049 37 Q CA -0.949 54.824 55.803 -0.050 0.000 0.825 37 Q CB 1.570 30.261 28.738 -0.079 0.000 1.401 37 Q HN 0.255 nan 8.270 nan 0.000 0.404 38 D N 1.276 121.661 120.400 -0.026 0.000 2.256 38 D HA 0.599 5.475 4.640 0.394 0.000 0.250 38 D C -0.830 175.455 176.300 -0.025 0.000 1.093 38 D CA 0.231 54.200 54.000 -0.053 0.000 0.882 38 D CB 1.677 42.443 40.800 -0.056 0.000 1.185 38 D HN 0.601 nan 8.370 nan 0.000 0.437 39 A N 1.864 124.624 122.820 -0.100 0.000 2.588 39 A HA 0.587 5.143 4.320 0.394 0.000 0.290 39 A C -2.088 175.370 177.584 -0.211 0.000 1.136 39 A CA -0.909 51.120 52.037 -0.012 0.000 0.681 39 A CB 1.126 20.176 19.000 0.083 0.000 1.282 39 A HN 0.514 nan 8.150 nan 0.000 0.421 40 W N 0.241 121.555 121.300 0.023 0.000 2.411 40 W HA 0.601 5.496 4.660 0.392 0.000 0.317 40 W C -0.582 175.935 176.519 -0.004 0.000 1.030 40 W CA -0.138 57.210 57.345 0.006 0.000 1.239 40 W CB 1.803 31.261 29.460 -0.002 0.000 1.304 40 W HN 0.545 nan 8.180 nan 0.000 0.437 41 L N 4.965 126.266 121.223 0.130 0.000 2.264 41 L HA 0.560 5.136 4.340 0.394 0.000 0.289 41 L C -0.552 176.377 176.870 0.099 0.000 1.044 41 L CA -0.455 54.427 54.840 0.069 0.000 0.807 41 L CB 0.855 42.915 42.059 0.001 0.000 1.192 41 L HN 0.167 nan 8.230 nan 0.000 0.425 42 V N 4.630 124.580 119.914 0.060 0.000 2.318 42 V HA 0.252 4.608 4.120 0.394 0.000 0.271 42 V C 1.032 177.120 176.094 -0.011 0.000 1.030 42 V CA 0.236 62.563 62.300 0.044 0.000 0.844 42 V CB 0.706 32.547 31.823 0.030 0.000 1.015 42 V HN 0.951 nan 8.190 nan 0.000 0.460 43 T N 0.687 115.243 114.554 0.003 0.000 3.022 43 T HA 0.202 4.788 4.350 0.394 0.000 0.250 43 T C 0.922 175.640 174.700 0.030 0.000 1.060 43 T CA 0.427 62.507 62.100 -0.033 0.000 1.013 43 T CB 0.396 69.263 68.868 -0.002 0.000 0.982 43 T HN 0.675 nan 8.240 nan 0.000 0.508 44 G N -0.186 108.647 108.800 0.055 0.000 2.395 44 G HA2 0.427 4.623 3.960 0.394 0.000 0.283 44 G HA3 0.427 4.623 3.960 0.394 0.000 0.283 44 G C 0.058 175.019 174.900 0.101 0.000 1.178 44 G CA -0.717 44.440 45.100 0.096 0.000 0.837 44 G HN 0.182 nan 8.290 nan 0.000 0.518 45 Y N 1.162 121.503 120.300 0.068 0.000 2.070 45 Y HA -0.221 4.563 4.550 0.391 0.000 0.280 45 Y C 2.351 178.284 175.900 0.054 0.000 1.148 45 Y CA 2.507 60.655 58.100 0.080 0.000 1.125 45 Y CB 0.229 38.741 38.460 0.087 0.000 0.975 45 Y HN 0.508 nan 8.280 nan 0.000 0.492 46 D N -0.177 120.302 120.400 0.132 0.000 2.178 46 D HA -0.140 4.736 4.640 0.394 0.000 0.201 46 D C 1.892 178.168 176.300 -0.041 0.000 0.980 46 D CA 1.506 55.532 54.000 0.043 0.000 0.842 46 D CB -0.144 40.715 40.800 0.098 0.000 0.948 46 D HN 0.479 nan 8.370 nan 0.000 0.472 47 E N 0.858 121.046 120.200 -0.021 0.000 2.107 47 E HA -0.017 4.569 4.350 0.394 0.000 0.191 47 E C 2.050 178.616 176.600 -0.058 0.000 0.982 47 E CA 0.964 57.349 56.400 -0.026 0.000 0.809 47 E CB -0.313 29.390 29.700 0.005 0.000 0.756 47 E HN 0.212 nan 8.360 nan 0.000 0.459 48 A N 1.135 123.898 122.820 -0.095 0.000 1.873 48 A HA -0.199 4.357 4.320 0.394 0.000 0.215 48 A C 1.964 179.467 177.584 -0.136 0.000 1.186 48 A CA 1.493 53.465 52.037 -0.108 0.000 0.616 48 A CB -0.318 18.606 19.000 -0.127 0.000 0.823 48 A HN 0.056 nan 8.150 nan 0.000 0.442 49 K N -0.405 119.850 120.400 -0.242 0.000 2.057 49 K HA -0.111 4.445 4.320 0.394 0.000 0.207 49 K C 2.332 178.882 176.600 -0.082 0.000 1.049 49 K CA 1.139 57.314 56.287 -0.188 0.000 0.931 49 K CB -0.329 32.016 32.500 -0.260 0.000 0.714 49 K HN 0.450 nan 8.250 nan 0.000 0.440 50 A N 1.466 124.244 122.820 -0.071 0.000 1.877 50 A HA -0.147 4.409 4.320 0.394 0.000 0.216 50 A C 2.365 179.929 177.584 -0.033 0.000 1.186 50 A CA 1.964 53.978 52.037 -0.039 0.000 0.620 50 A CB -0.679 18.299 19.000 -0.036 0.000 0.822 50 A HN 0.355 nan 8.150 nan 0.000 0.443 51 A N -0.191 122.606 122.820 -0.037 0.000 1.877 51 A HA -0.060 4.496 4.320 0.394 0.000 0.216 51 A C 2.145 179.725 177.584 -0.007 0.000 1.186 51 A CA 1.540 53.561 52.037 -0.027 0.000 0.620 51 A CB -0.700 18.285 19.000 -0.025 0.000 0.822 51 A HN 0.478 nan 8.150 nan 0.000 0.443 52 L N -0.157 121.065 121.223 -0.001 0.000 2.191 52 L HA -0.142 4.434 4.340 0.394 0.000 0.212 52 L C 2.398 179.294 176.870 0.045 0.000 1.103 52 L CA 1.381 56.239 54.840 0.031 0.000 0.769 52 L CB -0.276 41.806 42.059 0.038 0.000 0.908 52 L HN 0.318 nan 8.230 nan 0.000 0.438 53 S N -2.025 113.688 115.700 0.022 0.000 2.501 53 S HA -0.019 4.688 4.470 0.394 0.000 0.220 53 S C 0.624 175.234 174.600 0.017 0.000 0.997 53 S CA -0.031 58.184 58.200 0.024 0.000 0.919 53 S CB -0.095 63.113 63.200 0.013 0.000 0.778 53 S HN 0.282 nan 8.310 nan 0.000 0.523 54 D N 1.726 122.130 120.400 0.007 0.000 2.336 54 D HA 0.178 5.055 4.640 0.394 0.000 0.249 54 D C 0.697 177.005 176.300 0.012 0.000 1.213 54 D CA -0.113 53.886 54.000 -0.001 0.000 0.870 54 D CB 0.549 41.336 40.800 -0.023 0.000 1.076 54 D HN 0.153 nan 8.370 nan 0.000 0.483 55 L N 3.583 124.818 121.223 0.020 0.000 2.622 55 L HA 0.011 4.588 4.340 0.394 0.000 0.233 55 L C 2.164 179.055 176.870 0.034 0.000 1.156 55 L CA 0.306 55.168 54.840 0.037 0.000 0.866 55 L CB -0.020 42.065 42.059 0.042 0.000 0.980 55 L HN 0.234 nan 8.230 nan 0.000 0.448 56 R N -0.053 120.450 120.500 0.005 0.000 2.235 56 R HA 0.042 4.618 4.340 0.394 0.000 0.213 56 R C 0.381 176.667 176.300 -0.022 0.000 1.059 56 R CA 0.474 56.565 56.100 -0.015 0.000 0.997 56 R CB -0.001 30.267 30.300 -0.055 0.000 0.884 56 R HN 0.283 nan 8.270 nan 0.000 0.462 57 L N 1.535 122.754 121.223 -0.007 0.000 2.270 57 L HA 0.172 4.748 4.340 0.394 0.000 0.286 57 L C 0.216 177.125 176.870 0.065 0.000 1.059 57 L CA -0.359 54.484 54.840 0.005 0.000 0.839 57 L CB 1.458 43.514 42.059 -0.005 0.000 1.221 57 L HN -0.018 nan 8.230 nan 0.000 0.431 58 S N 1.230 117.004 115.700 0.124 0.000 2.601 58 S HA 0.236 4.942 4.470 0.394 0.000 0.271 58 S C 0.958 175.616 174.600 0.096 0.000 1.305 58 S CA -0.442 57.854 58.200 0.159 0.000 1.022 58 S CB 1.247 64.615 63.200 0.280 0.000 0.940 58 S HN 0.608 nan 8.310 nan 0.000 0.525 59 S N 1.626 117.341 115.700 0.025 0.000 2.559 59 S HA 0.189 4.895 4.470 0.394 0.000 0.226 59 S C -0.431 174.102 174.600 -0.111 0.000 1.000 59 S CA -0.402 57.733 58.200 -0.108 0.000 0.948 59 S CB 0.104 63.129 63.200 -0.291 0.000 0.870 59 S HN 0.758 nan 8.310 nan 0.000 0.497 60 D N 2.942 123.322 120.400 -0.032 0.000 2.359 60 D HA 0.238 5.114 4.640 0.394 0.000 0.230 60 D C -1.602 174.632 176.300 -0.110 0.000 1.118 60 D CA -2.024 51.954 54.000 -0.037 0.000 0.844 60 D CB 1.620 42.445 40.800 0.042 0.000 1.059 60 D HN 0.063 nan 8.370 nan 0.000 0.493 61 P HA 0.013 nan 4.420 nan 0.000 0.240 61 P C 0.653 177.947 177.300 -0.010 0.000 1.190 61 P CA 0.351 63.320 63.100 -0.217 0.000 0.781 61 P CB 0.625 32.151 31.700 -0.290 0.000 0.931 62 K N 0.266 120.629 120.400 -0.062 0.000 2.228 62 K HA 0.044 4.600 4.320 0.394 0.000 0.202 62 K C 0.858 177.417 176.600 -0.068 0.000 1.051 62 K CA 0.390 56.639 56.287 -0.064 0.000 0.960 62 K CB -0.033 32.423 32.500 -0.073 0.000 0.743 62 K HN 0.189 nan 8.250 nan 0.000 0.458 63 K N 2.067 122.427 120.400 -0.066 0.000 2.451 63 K HA 0.029 4.585 4.320 0.394 0.000 0.280 63 K C -0.146 176.281 176.600 -0.288 0.000 1.020 63 K CA 0.416 56.594 56.287 -0.181 0.000 1.008 63 K CB 0.448 32.845 32.500 -0.173 0.000 0.917 63 K HN -0.179 nan 8.250 nan 0.000 0.478 64 K N 3.177 123.361 120.400 -0.360 0.000 2.185 64 K HA 0.278 4.834 4.320 0.394 0.000 0.269 64 K C -0.866 175.467 176.600 -0.445 0.000 0.987 64 K CA -0.527 55.590 56.287 -0.285 0.000 0.865 64 K CB 1.044 33.452 32.500 -0.153 0.000 1.090 64 K HN 0.397 nan 8.250 nan 0.000 0.450 65 Y N 2.442 122.735 120.300 -0.011 0.000 2.377 65 Y HA 0.240 5.026 4.550 0.393 0.000 0.339 65 Y C -1.686 174.163 175.900 -0.086 0.000 1.011 65 Y CA -2.422 55.679 58.100 0.003 0.000 1.093 65 Y CB 1.209 39.684 38.460 0.026 0.000 1.201 65 Y HN 0.413 nan 8.280 nan 0.000 0.455 66 P HA 0.008 nan 4.420 nan 0.000 0.256 66 P C 0.757 178.042 177.300 -0.025 0.000 1.189 66 P CA 1.455 64.574 63.100 0.032 0.000 0.808 66 P CB 0.297 32.039 31.700 0.070 0.000 0.793 67 G N 2.057 110.831 108.800 -0.043 0.000 2.199 67 G HA2 -0.203 3.993 3.960 0.394 0.000 0.254 67 G HA3 -0.203 3.993 3.960 0.394 0.000 0.254 67 G C -0.049 174.785 174.900 -0.110 0.000 0.982 67 G CA -0.028 45.034 45.100 -0.063 0.000 0.632 67 G HN 0.540 nan 8.290 nan 0.000 0.529 68 V N 0.329 120.150 119.914 -0.155 0.000 2.472 68 V HA 0.728 5.084 4.120 0.394 0.000 0.290 68 V C 0.155 176.193 176.094 -0.094 0.000 1.037 68 V CA -0.520 61.677 62.300 -0.172 0.000 0.908 68 V CB 1.899 33.530 31.823 -0.319 0.000 0.985 68 V HN 0.320 nan 8.190 nan 0.000 0.454 69 E N 2.641 122.783 120.200 -0.097 0.000 2.409 69 E HA 0.502 5.089 4.350 0.394 0.000 0.259 69 E C -1.895 174.612 176.600 -0.156 0.000 0.932 69 E CA -0.192 56.143 56.400 -0.108 0.000 0.809 69 E CB 2.214 31.864 29.700 -0.083 0.000 1.341 69 E HN 0.516 nan 8.360 nan 0.000 0.405 70 V N 3.718 123.477 119.914 -0.257 0.000 2.555 70 V HA 0.455 4.811 4.120 0.394 0.000 0.302 70 V C -0.997 174.754 176.094 -0.572 0.000 1.038 70 V CA -0.478 61.561 62.300 -0.434 0.000 0.887 70 V CB 1.889 33.338 31.823 -0.623 0.000 0.991 70 V HN 0.688 nan 8.190 nan 0.000 0.434 71 E N 5.330 125.247 120.200 -0.473 0.000 2.145 71 E HA 0.451 5.037 4.350 0.394 0.000 0.262 71 E C -1.363 175.032 176.600 -0.343 0.000 0.883 71 E CA -0.590 55.619 56.400 -0.317 0.000 0.748 71 E CB 0.907 30.509 29.700 -0.163 0.000 1.140 71 E HN 0.620 nan 8.360 nan 0.000 0.417 72 F N 5.389 125.337 119.950 -0.003 0.000 2.429 72 F HA 0.203 4.967 4.527 0.394 0.000 0.348 72 F C -0.909 174.814 175.800 -0.128 0.000 1.109 72 F CA -1.800 56.194 58.000 -0.011 0.000 1.232 72 F CB 0.393 39.435 39.000 0.071 0.000 1.157 72 F HN 0.483 nan 8.300 nan 0.000 0.564 73 P HA -0.321 nan 4.420 nan 0.000 0.216 73 P C 1.270 178.388 177.300 -0.303 0.000 1.154 73 P CA 2.261 65.227 63.100 -0.222 0.000 0.865 73 P CB -0.110 31.477 31.700 -0.188 0.000 0.789 74 A N -1.216 121.372 122.820 -0.388 0.000 2.070 74 A HA -0.153 4.403 4.320 0.394 0.000 0.220 74 A C 1.373 178.295 177.584 -1.103 0.000 1.159 74 A CA 1.014 52.639 52.037 -0.687 0.000 0.656 74 A CB -1.568 16.939 19.000 -0.821 0.000 0.800 74 A HN 0.305 nan 8.150 nan 0.000 0.453 75 Y N -0.763 119.216 120.300 -0.535 0.000 2.708 75 Y HA 0.365 5.152 4.550 0.395 0.000 0.287 75 Y C 0.489 175.984 175.900 -0.675 0.000 1.145 75 Y CA -0.750 56.780 58.100 -0.949 0.000 1.249 75 Y CB 0.170 38.342 38.460 -0.480 0.000 1.152 75 Y HN 0.135 nan 8.280 nan 0.000 0.532 76 L N 1.334 122.293 121.223 -0.440 0.000 2.584 76 L HA 0.091 4.667 4.340 0.394 0.000 0.272 76 L C 1.163 178.010 176.870 -0.039 0.000 1.195 76 L CA 1.321 56.033 54.840 -0.214 0.000 0.920 76 L CB 0.273 42.202 42.059 -0.218 0.000 1.173 76 L HN 0.747 nan 8.230 nan 0.000 0.489 77 G N 3.720 112.543 108.800 0.039 0.000 2.184 77 G HA2 -0.310 3.886 3.960 0.394 0.000 0.264 77 G HA3 -0.310 3.886 3.960 0.394 0.000 0.264 77 G C -0.020 175.042 174.900 0.270 0.000 0.975 77 G CA -0.215 44.960 45.100 0.125 0.000 0.642 77 G HN 0.472 nan 8.290 nan 0.000 0.536 78 F N 1.737 121.652 119.950 -0.058 0.000 2.420 78 F HA 0.495 5.258 4.527 0.393 0.000 0.352 78 F C -1.348 174.428 175.800 -0.038 0.000 1.108 78 F CA -3.053 54.910 58.000 -0.062 0.000 1.162 78 F CB 0.794 39.755 39.000 -0.066 0.000 1.118 78 F HN -0.136 nan 8.300 nan 0.000 0.510 79 P HA 0.041 nan 4.420 nan 0.000 0.269 79 P C 0.972 178.311 177.300 0.065 0.000 1.215 79 P CA -0.121 63.009 63.100 0.050 0.000 0.780 79 P CB 0.681 32.386 31.700 0.008 0.000 0.898 80 E N 1.781 122.000 120.200 0.031 0.000 2.130 80 E HA -0.292 4.294 4.350 0.394 0.000 0.196 80 E C 1.231 177.832 176.600 0.002 0.000 0.998 80 E CA 1.667 58.073 56.400 0.009 0.000 0.806 80 E CB -0.071 29.619 29.700 -0.017 0.000 0.738 80 E HN 0.543 nan 8.360 nan 0.000 0.459 81 D N 0.366 120.772 120.400 0.010 0.000 2.144 81 D HA -0.169 4.707 4.640 0.394 0.000 0.200 81 D C 2.133 178.485 176.300 0.087 0.000 0.978 81 D CA 1.642 55.645 54.000 0.004 0.000 0.833 81 D CB -0.665 40.155 40.800 0.033 0.000 0.961 81 D HN 0.326 nan 8.370 nan 0.000 0.470 82 V N -0.442 119.561 119.914 0.149 0.000 2.591 82 V HA -0.059 4.298 4.120 0.394 0.000 0.249 82 V C 2.642 178.956 176.094 0.367 0.000 1.053 82 V CA 1.322 63.784 62.300 0.270 0.000 1.068 82 V CB -0.733 31.136 31.823 0.077 0.000 0.689 82 V HN 0.071 nan 8.190 nan 0.000 0.462 83 R N 0.876 121.519 120.500 0.238 0.000 2.080 83 R HA -0.220 4.356 4.340 0.394 0.000 0.236 83 R C 2.217 178.555 176.300 0.064 0.000 1.137 83 R CA 2.520 58.722 56.100 0.170 0.000 0.943 83 R CB -0.714 29.576 30.300 -0.016 0.000 0.846 83 R HN 0.731 nan 8.270 nan 0.000 0.431 84 N N -0.949 117.739 118.700 -0.020 0.000 2.149 84 N HA -0.210 4.766 4.740 0.394 0.000 0.188 84 N C 1.437 176.898 175.510 -0.083 0.000 1.019 84 N CA 1.304 54.283 53.050 -0.118 0.000 0.857 84 N CB -0.147 38.203 38.487 -0.229 0.000 0.997 84 N HN 0.252 nan 8.380 nan 0.000 0.426 85 Y N -0.522 119.843 120.300 0.108 0.000 2.373 85 Y HA -0.037 4.749 4.550 0.393 0.000 0.293 85 Y C 1.401 177.347 175.900 0.077 0.000 1.129 85 Y CA 0.778 58.923 58.100 0.075 0.000 1.226 85 Y CB -0.196 38.294 38.460 0.050 0.000 1.000 85 Y HN 0.065 nan 8.280 nan 0.000 0.549 86 F N -1.626 118.459 119.950 0.224 0.000 2.743 86 F HA 0.223 4.985 4.527 0.392 0.000 0.297 86 F C 1.636 177.538 175.800 0.170 0.000 1.131 86 F CA 0.487 58.646 58.000 0.265 0.000 1.426 86 F CB 0.245 39.529 39.000 0.473 0.000 1.116 86 F HN -0.092 nan 8.300 nan 0.000 0.583 87 A N -0.534 122.395 122.820 0.182 0.000 2.749 87 A HA 0.388 4.944 4.320 0.394 0.000 0.299 87 A C 0.188 177.790 177.584 0.031 0.000 1.105 87 A CA -0.088 51.983 52.037 0.055 0.000 0.987 87 A CB -0.627 18.276 19.000 -0.162 0.000 1.180 87 A HN 0.030 nan 8.150 nan 0.000 0.528 88 T N 1.778 116.368 114.554 0.060 0.000 3.532 88 T HA 0.281 4.867 4.350 0.394 0.000 0.241 88 T C -0.256 174.489 174.700 0.075 0.000 1.238 88 T CA -0.636 61.490 62.100 0.043 0.000 1.405 88 T CB -0.610 68.263 68.868 0.008 0.000 0.971 88 T HN 0.752 nan 8.240 nan 0.000 0.640 89 N N -0.148 118.612 118.700 0.101 0.000 2.972 89 N HA 0.371 5.347 4.740 0.394 0.000 0.262 89 N C 0.526 176.139 175.510 0.172 0.000 1.478 89 N CA -0.870 52.253 53.050 0.122 0.000 0.841 89 N CB 0.852 39.411 38.487 0.121 0.000 1.512 89 N HN -0.192 nan 8.380 nan 0.000 0.548 90 M N 1.042 120.769 119.600 0.211 0.000 2.226 90 M HA -0.085 4.631 4.480 0.394 0.000 0.257 90 M C 2.255 178.800 176.300 0.408 0.000 1.070 90 M CA 2.731 58.246 55.300 0.359 0.000 1.087 90 M CB -1.251 31.558 32.600 0.348 0.000 1.278 90 M HN 0.879 nan 8.290 nan 0.000 0.426 91 G N -1.511 107.448 108.800 0.265 0.000 2.535 91 G HA2 -0.123 4.073 3.960 0.394 0.000 0.218 91 G HA3 -0.123 4.073 3.960 0.394 0.000 0.218 91 G C 1.010 175.883 174.900 -0.045 0.000 1.122 91 G CA 1.397 46.549 45.100 0.087 0.000 0.769 91 G HN 0.598 nan 8.290 nan 0.000 0.549 92 T N -2.336 112.260 114.554 0.071 0.000 3.266 92 T HA 0.560 5.147 4.350 0.394 0.000 0.278 92 T C 0.246 174.984 174.700 0.063 0.000 1.010 92 T CA -0.394 61.728 62.100 0.036 0.000 0.909 92 T CB 0.761 69.671 68.868 0.070 0.000 1.122 92 T HN 0.003 nan 8.240 nan 0.000 0.536 93 S N 1.106 116.891 115.700 0.141 0.000 2.599 93 S HA 0.654 5.360 4.470 0.394 0.000 0.287 93 S C -1.318 173.421 174.600 0.231 0.000 1.105 93 S CA -0.913 57.396 58.200 0.181 0.000 0.899 93 S CB 1.880 65.217 63.200 0.229 0.000 1.100 93 S HN 0.337 nan 8.310 nan 0.000 0.482 94 D N 1.141 121.654 120.400 0.189 0.000 2.374 94 D HA 0.486 5.362 4.640 0.394 0.000 0.239 94 D C -2.734 173.673 176.300 0.179 0.000 0.991 94 D CA -1.698 52.407 54.000 0.176 0.000 0.960 94 D CB 1.216 42.100 40.800 0.141 0.000 1.284 94 D HN 0.109 nan 8.370 nan 0.000 0.512 95 P HA 0.107 nan 4.420 nan 0.000 0.269 95 P C -1.611 175.746 177.300 0.096 0.000 1.215 95 P CA -0.694 62.487 63.100 0.134 0.000 0.780 95 P CB 0.242 32.005 31.700 0.104 0.000 0.898 96 P HA -0.003 nan 4.420 nan 0.000 0.255 96 P C 0.812 178.148 177.300 0.059 0.000 1.248 96 P CA 0.752 63.888 63.100 0.061 0.000 0.807 96 P CB 0.059 31.783 31.700 0.039 0.000 1.150 97 T N -0.286 114.316 114.554 0.080 0.000 2.777 97 T HA -0.166 4.420 4.350 0.394 0.000 0.266 97 T C 1.755 176.510 174.700 0.092 0.000 1.040 97 T CA 1.705 63.850 62.100 0.075 0.000 1.141 97 T CB -0.853 68.063 68.868 0.080 0.000 0.868 97 T HN 0.325 nan 8.240 nan 0.000 0.444 98 H N 1.328 120.431 119.070 0.056 0.000 2.352 98 H HA -0.075 4.717 4.556 0.393 0.000 0.299 98 H C 2.105 177.451 175.328 0.029 0.000 1.097 98 H CA 2.074 58.158 56.048 0.060 0.000 1.311 98 H CB -0.655 29.138 29.762 0.051 0.000 1.377 98 H HN 0.208 nan 8.280 nan 0.000 0.504 99 T N 1.187 115.649 114.554 -0.155 0.000 2.652 99 T HA -0.237 4.350 4.350 0.394 0.000 0.267 99 T C 1.999 176.608 174.700 -0.152 0.000 1.039 99 T CA 2.132 64.118 62.100 -0.190 0.000 1.153 99 T CB -0.227 68.614 68.868 -0.046 0.000 0.863 99 T HN 0.640 nan 8.240 nan 0.000 0.428 100 R N 1.209 121.664 120.500 -0.075 0.000 2.090 100 R HA 0.152 4.728 4.340 0.394 0.000 0.228 100 R C 2.394 178.668 176.300 -0.044 0.000 1.110 100 R CA 0.885 56.958 56.100 -0.045 0.000 0.973 100 R CB -0.805 29.486 30.300 -0.015 0.000 0.869 100 R HN 0.295 nan 8.270 nan 0.000 0.440 101 L N 0.809 122.005 121.223 -0.045 0.000 2.017 101 L HA -0.081 4.495 4.340 0.394 0.000 0.208 101 L C 3.057 179.909 176.870 -0.029 0.000 1.073 101 L CA 1.733 56.565 54.840 -0.013 0.000 0.745 101 L CB -0.441 41.635 42.059 0.029 0.000 0.894 101 L HN 0.256 nan 8.230 nan 0.000 0.432 102 R N 0.630 121.057 120.500 -0.122 0.000 2.092 102 R HA -0.197 4.379 4.340 0.394 0.000 0.231 102 R C 2.355 178.627 176.300 -0.046 0.000 1.119 102 R CA 1.451 57.491 56.100 -0.101 0.000 0.970 102 R CB -0.044 30.088 30.300 -0.280 0.000 0.864 102 R HN 0.206 nan 8.270 nan 0.000 0.440 103 K N 0.533 120.895 120.400 -0.065 0.000 2.025 103 K HA -0.119 4.437 4.320 0.394 0.000 0.207 103 K C 2.030 178.630 176.600 -0.000 0.000 1.049 103 K CA 1.443 57.712 56.287 -0.030 0.000 0.933 103 K CB -0.113 32.366 32.500 -0.035 0.000 0.714 103 K HN 0.209 nan 8.250 nan 0.000 0.438 104 L N 0.835 122.060 121.223 0.002 0.000 2.046 104 L HA -0.168 4.409 4.340 0.394 0.000 0.208 104 L C 2.412 179.304 176.870 0.037 0.000 1.077 104 L CA 0.904 55.754 54.840 0.016 0.000 0.747 104 L CB -0.374 41.693 42.059 0.013 0.000 0.896 104 L HN 0.065 nan 8.230 nan 0.000 0.432 105 V N -1.255 118.689 119.914 0.051 0.000 2.548 105 V HA -0.195 4.161 4.120 0.394 0.000 0.249 105 V C 2.469 178.646 176.094 0.139 0.000 1.055 105 V CA 1.671 64.025 62.300 0.091 0.000 1.065 105 V CB -0.196 31.689 31.823 0.104 0.000 0.681 105 V HN 0.344 nan 8.190 nan 0.000 0.462 106 S N -0.490 115.272 115.700 0.103 0.000 2.447 106 S HA -0.200 4.506 4.470 0.394 0.000 0.233 106 S C 1.938 176.579 174.600 0.067 0.000 1.006 106 S CA 1.029 59.281 58.200 0.087 0.000 0.957 106 S CB -0.244 62.980 63.200 0.040 0.000 0.773 106 S HN 0.671 nan 8.310 nan 0.000 0.507 107 Q N 0.109 119.944 119.800 0.058 0.000 2.224 107 Q HA -0.057 4.520 4.340 0.394 0.000 0.203 107 Q C 1.634 177.669 176.000 0.060 0.000 0.970 107 Q CA 0.830 56.660 55.803 0.044 0.000 0.865 107 Q CB 0.073 28.830 28.738 0.032 0.000 0.922 107 Q HN 0.443 nan 8.270 nan 0.000 0.445 108 E N -0.591 119.664 120.200 0.092 0.000 2.306 108 E HA 0.019 4.605 4.350 0.394 0.000 0.201 108 E C 0.027 176.743 176.600 0.194 0.000 0.874 108 E CA 0.001 56.466 56.400 0.107 0.000 0.972 108 E CB 0.151 29.900 29.700 0.081 0.000 0.957 108 E HN 0.098 nan 8.360 nan 0.000 0.492 109 F N 4.366 124.326 119.950 0.016 0.000 2.652 109 F HA 0.123 4.885 4.527 0.392 0.000 0.352 109 F C 0.272 176.083 175.800 0.019 0.000 1.259 109 F CA -0.504 57.509 58.000 0.021 0.000 1.249 109 F CB -0.872 38.146 39.000 0.028 0.000 1.628 109 F HN -0.235 nan 8.300 nan 0.000 0.654 110 T N -0.709 113.878 114.554 0.056 0.000 2.936 110 T HA 0.399 4.985 4.350 0.394 0.000 0.282 110 T C 1.205 175.842 174.700 -0.104 0.000 1.003 110 T CA -0.660 61.409 62.100 -0.052 0.000 1.005 110 T CB 1.535 70.403 68.868 0.001 0.000 1.097 110 T HN -0.003 nan 8.240 nan 0.000 0.532 111 V N 0.849 120.702 119.914 -0.100 0.000 2.515 111 V HA -0.075 4.281 4.120 0.394 0.000 0.250 111 V C 2.950 179.021 176.094 -0.038 0.000 1.058 111 V CA 1.940 64.188 62.300 -0.087 0.000 1.064 111 V CB -1.072 30.710 31.823 -0.068 0.000 0.675 111 V HN 0.925 nan 8.190 nan 0.000 0.461 112 R N 0.415 120.904 120.500 -0.019 0.000 2.073 112 R HA -0.194 4.382 4.340 0.394 0.000 0.234 112 R C 2.548 178.857 176.300 0.016 0.000 1.134 112 R CA 1.927 58.028 56.100 0.001 0.000 0.952 112 R CB -0.299 30.005 30.300 0.006 0.000 0.850 112 R HN 0.422 nan 8.270 nan 0.000 0.433 113 R N 0.090 120.609 120.500 0.031 0.000 2.096 113 R HA -0.091 4.485 4.340 0.394 0.000 0.235 113 R C 2.018 178.357 176.300 0.065 0.000 1.127 113 R CA 1.556 57.692 56.100 0.061 0.000 0.968 113 R CB -0.103 30.261 30.300 0.107 0.000 0.861 113 R HN 0.161 nan 8.270 nan 0.000 0.440 114 V N 0.944 120.886 119.914 0.047 0.000 2.307 114 V HA -0.186 4.170 4.120 0.394 0.000 0.245 114 V C 2.201 178.313 176.094 0.031 0.000 1.045 114 V CA 2.065 64.392 62.300 0.045 0.000 1.024 114 V CB -0.468 31.345 31.823 -0.017 0.000 0.651 114 V HN 0.346 nan 8.190 nan 0.000 0.449 115 E N 0.692 120.900 120.200 0.014 0.000 2.153 115 E HA -0.153 4.434 4.350 0.394 0.000 0.194 115 E C 2.067 178.680 176.600 0.022 0.000 0.988 115 E CA 1.395 57.805 56.400 0.015 0.000 0.811 115 E CB -0.471 29.233 29.700 0.007 0.000 0.746 115 E HN 0.532 nan 8.360 nan 0.000 0.466 116 A N -0.179 122.656 122.820 0.024 0.000 2.121 116 A HA -0.085 4.471 4.320 0.394 0.000 0.218 116 A C 1.940 179.541 177.584 0.028 0.000 1.154 116 A CA 1.141 53.193 52.037 0.025 0.000 0.679 116 A CB -0.357 18.658 19.000 0.026 0.000 0.795 116 A HN 0.291 nan 8.150 nan 0.000 0.458 117 M N -1.513 118.107 119.600 0.034 0.000 2.428 117 M HA 0.091 4.807 4.480 0.394 0.000 0.239 117 M C 1.925 178.244 176.300 0.031 0.000 1.121 117 M CA 0.086 55.406 55.300 0.034 0.000 1.019 117 M CB -0.076 32.550 32.600 0.043 0.000 1.485 117 M HN 0.527 nan 8.290 nan 0.000 0.484 118 R N 1.689 122.207 120.500 0.030 0.000 2.083 118 R HA -0.149 4.427 4.340 0.394 0.000 0.237 118 R C -1.003 175.315 176.300 0.030 0.000 1.137 118 R CA 1.808 57.927 56.100 0.031 0.000 0.951 118 R CB -1.117 29.201 30.300 0.030 0.000 0.851 118 R HN 0.158 nan 8.270 nan 0.000 0.434 119 P HA -0.149 nan 4.420 nan 0.000 0.216 119 P C 0.958 178.272 177.300 0.023 0.000 1.150 119 P CA 1.060 64.174 63.100 0.023 0.000 0.837 119 P CB -0.102 31.610 31.700 0.019 0.000 0.786 120 R N -0.142 120.371 120.500 0.022 0.000 2.075 120 R HA -0.041 4.535 4.340 0.394 0.000 0.232 120 R C 2.030 178.342 176.300 0.020 0.000 1.126 120 R CA 1.086 57.197 56.100 0.018 0.000 0.963 120 R CB -1.324 28.985 30.300 0.016 0.000 0.858 120 R HN 0.096 nan 8.270 nan 0.000 0.435 121 V N 0.897 120.825 119.914 0.023 0.000 2.343 121 V HA -0.218 4.138 4.120 0.394 0.000 0.247 121 V C 2.149 178.265 176.094 0.036 0.000 1.051 121 V CA 1.857 64.171 62.300 0.023 0.000 1.036 121 V CB -0.404 31.436 31.823 0.028 0.000 0.654 121 V HN 0.352 nan 8.190 nan 0.000 0.451 122 E N -0.514 119.711 120.200 0.041 0.000 2.106 122 E HA -0.254 4.332 4.350 0.394 0.000 0.192 122 E C 2.326 178.955 176.600 0.047 0.000 0.984 122 E CA 1.219 57.649 56.400 0.050 0.000 0.806 122 E CB -0.102 29.624 29.700 0.043 0.000 0.750 122 E HN 0.631 nan 8.360 nan 0.000 0.458 123 Q N 0.561 120.382 119.800 0.035 0.000 2.050 123 Q HA -0.188 4.388 4.340 0.394 0.000 0.202 123 Q C 2.173 178.195 176.000 0.037 0.000 0.980 123 Q CA 1.338 57.160 55.803 0.030 0.000 0.840 123 Q CB -0.040 28.711 28.738 0.022 0.000 0.898 123 Q HN 0.315 nan 8.270 nan 0.000 0.424 124 I N 0.347 120.937 120.570 0.033 0.000 2.208 124 I HA -0.286 4.120 4.170 0.394 0.000 0.245 124 I C 2.237 178.396 176.117 0.071 0.000 1.097 124 I CA 1.477 62.797 61.300 0.033 0.000 1.363 124 I CB -0.455 37.549 38.000 0.007 0.000 1.051 124 I HN 0.280 nan 8.210 nan 0.000 0.413 125 T N 0.870 115.482 114.554 0.097 0.000 2.684 125 T HA -0.191 4.395 4.350 0.394 0.000 0.267 125 T C 2.074 176.891 174.700 0.195 0.000 1.036 125 T CA 1.522 63.747 62.100 0.209 0.000 1.148 125 T CB -0.362 68.634 68.868 0.214 0.000 0.863 125 T HN 0.495 nan 8.240 nan 0.000 0.436 126 A N 1.774 124.655 122.820 0.103 0.000 1.865 126 A HA -0.183 4.373 4.320 0.394 0.000 0.217 126 A C 2.209 179.825 177.584 0.053 0.000 1.191 126 A CA 1.868 53.937 52.037 0.054 0.000 0.623 126 A CB -0.700 18.317 19.000 0.029 0.000 0.826 126 A HN 0.599 nan 8.150 nan 0.000 0.444 127 E N -0.197 120.037 120.200 0.056 0.000 2.070 127 E HA -0.202 4.384 4.350 0.394 0.000 0.197 127 E C 1.995 178.637 176.600 0.070 0.000 1.004 127 E CA 1.326 57.755 56.400 0.049 0.000 0.805 127 E CB -0.377 29.347 29.700 0.040 0.000 0.744 127 E HN 0.614 nan 8.360 nan 0.000 0.451 128 L N 0.592 121.882 121.223 0.112 0.000 2.042 128 L HA -0.210 4.366 4.340 0.394 0.000 0.210 128 L C 2.447 179.402 176.870 0.142 0.000 1.076 128 L CA 0.933 55.866 54.840 0.156 0.000 0.749 128 L CB -0.263 41.958 42.059 0.271 0.000 0.893 128 L HN 0.184 nan 8.230 nan 0.000 0.432 129 L N -0.915 120.374 121.223 0.110 0.000 2.217 129 L HA -0.166 4.410 4.340 0.394 0.000 0.211 129 L C 2.056 178.962 176.870 0.059 0.000 1.107 129 L CA 0.613 55.478 54.840 0.042 0.000 0.783 129 L CB -0.484 41.539 42.059 -0.060 0.000 0.919 129 L HN 0.263 nan 8.230 nan 0.000 0.442 130 D N 0.458 120.881 120.400 0.039 0.000 2.144 130 D HA -0.195 4.682 4.640 0.394 0.000 0.200 130 D C 1.839 178.167 176.300 0.046 0.000 0.978 130 D CA 1.388 55.406 54.000 0.029 0.000 0.833 130 D CB 0.092 40.903 40.800 0.018 0.000 0.961 130 D HN 0.584 nan 8.370 nan 0.000 0.470 131 E N 0.713 120.944 120.200 0.052 0.000 2.489 131 E HA -0.031 4.555 4.350 0.394 0.000 0.193 131 E C 1.919 178.547 176.600 0.045 0.000 1.057 131 E CA 0.212 56.639 56.400 0.045 0.000 0.866 131 E CB 0.086 29.810 29.700 0.040 0.000 0.916 131 E HN 0.202 nan 8.360 nan 0.000 0.500 132 V N -1.767 118.181 119.914 0.058 0.000 2.649 132 V HA 0.325 4.681 4.120 0.394 0.000 0.248 132 V C 1.098 177.201 176.094 0.015 0.000 1.054 132 V CA 0.684 63.000 62.300 0.026 0.000 1.073 132 V CB -0.572 31.248 31.823 -0.005 0.000 0.699 132 V HN 0.424 nan 8.190 nan 0.000 0.463 133 G N 1.155 109.996 108.800 0.069 0.000 2.479 133 G HA2 -0.031 4.165 3.960 0.394 0.000 0.686 133 G HA3 -0.031 4.165 3.960 0.394 0.000 0.686 133 G C -0.305 174.682 174.900 0.146 0.000 1.295 133 G CA 0.092 45.230 45.100 0.065 0.000 0.922 133 G HN 0.744 nan 8.290 nan 0.000 0.582 134 D N -1.227 119.251 120.400 0.130 0.000 2.469 134 D HA 0.374 5.250 4.640 0.394 0.000 0.215 134 D C 0.468 176.826 176.300 0.096 0.000 1.154 134 D CA 0.568 54.700 54.000 0.220 0.000 0.832 134 D CB 0.673 41.569 40.800 0.161 0.000 1.008 134 D HN 0.558 nan 8.370 nan 0.000 0.506 135 S N -0.753 114.955 115.700 0.014 0.000 2.537 135 S HA 0.706 5.412 4.470 0.394 0.000 0.270 135 S C -0.141 174.427 174.600 -0.054 0.000 1.142 135 S CA -0.171 58.018 58.200 -0.019 0.000 0.870 135 S CB 2.134 65.334 63.200 0.001 0.000 1.112 135 S HN 0.648 nan 8.310 nan 0.000 0.466 136 G N 0.217 108.980 108.800 -0.063 0.000 2.631 136 G HA2 0.026 4.222 3.960 0.394 0.000 0.504 136 G HA3 0.026 4.222 3.960 0.394 0.000 0.504 136 G C -1.496 173.346 174.900 -0.097 0.000 1.306 136 G CA -0.588 44.473 45.100 -0.065 0.000 0.897 136 G HN 1.076 nan 8.290 nan 0.000 0.520 137 V N 0.891 120.759 119.914 -0.077 0.000 2.370 137 V HA 0.683 5.039 4.120 0.394 0.000 0.283 137 V C 0.946 176.992 176.094 -0.079 0.000 1.023 137 V CA 0.181 62.430 62.300 -0.084 0.000 0.857 137 V CB 0.805 32.596 31.823 -0.052 0.000 0.985 137 V HN 1.733 nan 8.190 nan 0.000 0.443 138 V N 1.203 121.052 119.914 -0.108 0.000 3.126 138 V HA 0.710 5.066 4.120 0.394 0.000 0.314 138 V C -0.693 175.353 176.094 -0.080 0.000 1.138 138 V CA -0.925 61.325 62.300 -0.082 0.000 1.034 138 V CB 2.301 34.062 31.823 -0.103 0.000 1.075 138 V HN 0.680 nan 8.190 nan 0.000 0.442 139 D N 1.012 121.390 120.400 -0.037 0.000 2.456 139 D HA 0.278 5.154 4.640 0.394 0.000 0.219 139 D C 0.624 176.910 176.300 -0.024 0.000 1.126 139 D CA -0.351 53.623 54.000 -0.043 0.000 0.890 139 D CB 1.012 41.847 40.800 0.059 0.000 1.025 139 D HN 0.578 nan 8.370 nan 0.000 0.511 140 I N 4.101 124.640 120.570 -0.051 0.000 2.700 140 I HA -0.199 4.207 4.170 0.394 0.000 0.261 140 I C 1.658 177.839 176.117 0.107 0.000 1.219 140 I CA 0.982 62.294 61.300 0.019 0.000 1.463 140 I CB 0.241 38.226 38.000 -0.024 0.000 1.092 140 I HN 0.329 nan 8.210 nan 0.000 0.452 141 V N -0.036 119.903 119.914 0.041 0.000 2.302 141 V HA -0.226 4.130 4.120 0.394 0.000 0.243 141 V C 2.175 178.321 176.094 0.085 0.000 1.036 141 V CA 2.058 64.387 62.300 0.049 0.000 1.020 141 V CB -0.724 31.088 31.823 -0.018 0.000 0.657 141 V HN 0.402 nan 8.190 nan 0.000 0.453 142 D N -0.165 120.278 120.400 0.071 0.000 2.144 142 D HA -0.147 4.729 4.640 0.394 0.000 0.200 142 D C 2.236 178.601 176.300 0.107 0.000 0.978 142 D CA 1.009 55.066 54.000 0.094 0.000 0.833 142 D CB 0.054 40.898 40.800 0.073 0.000 0.961 142 D HN 0.143 nan 8.370 nan 0.000 0.470 143 R N -1.307 119.257 120.500 0.106 0.000 2.280 143 R HA 0.146 4.722 4.340 0.394 0.000 0.195 143 R C 1.019 177.449 176.300 0.216 0.000 0.935 143 R CA 0.191 56.362 56.100 0.119 0.000 1.033 143 R CB 0.076 30.423 30.300 0.079 0.000 0.964 143 R HN 0.350 nan 8.270 nan 0.000 0.489 144 F N -0.869 119.093 119.950 0.019 0.000 1.832 144 F HA 0.240 4.995 4.527 0.379 0.000 0.236 144 F C 1.855 177.674 175.800 0.032 0.000 1.180 144 F CA 0.531 58.542 58.000 0.019 0.000 1.297 144 F CB -0.400 38.605 39.000 0.008 0.000 1.748 144 F HN -0.125 nan 8.300 nan 0.000 0.453 145 A N 0.266 123.058 122.820 -0.048 0.000 1.917 145 A HA -0.271 4.285 4.320 0.394 0.000 0.219 145 A C 2.076 179.621 177.584 -0.065 0.000 1.182 145 A CA 2.346 54.298 52.037 -0.142 0.000 0.633 145 A CB -1.581 17.438 19.000 0.032 0.000 0.819 145 A HN 0.756 nan 8.150 nan 0.000 0.448 146 H N -0.448 118.561 119.070 -0.102 0.000 2.317 146 H HA -0.026 4.765 4.556 0.391 0.000 0.304 146 H C -0.552 174.689 175.328 -0.144 0.000 1.067 146 H CA 1.177 57.168 56.048 -0.095 0.000 1.352 146 H CB -0.205 29.531 29.762 -0.042 0.000 1.398 146 H HN 0.365 nan 8.280 nan 0.000 0.510 147 P HA -0.157 nan 4.420 nan 0.000 0.218 147 P C 1.979 179.136 177.300 -0.239 0.000 1.149 147 P CA 0.874 63.834 63.100 -0.232 0.000 0.817 147 P CB 0.038 31.681 31.700 -0.095 0.000 0.785 148 L N 0.309 121.390 121.223 -0.236 0.000 1.970 148 L HA -0.100 4.476 4.340 0.394 0.000 0.212 148 L C -0.516 176.230 176.870 -0.207 0.000 1.071 148 L CA 2.725 57.428 54.840 -0.229 0.000 0.751 148 L CB -1.910 39.931 42.059 -0.363 0.000 0.889 148 L HN 0.011 nan 8.230 nan 0.000 0.432 149 P HA -0.177 nan 4.420 nan 0.000 0.216 149 P C 1.765 178.907 177.300 -0.262 0.000 1.150 149 P CA 1.610 64.606 63.100 -0.175 0.000 0.837 149 P CB 0.008 31.631 31.700 -0.129 0.000 0.786 150 I N -0.766 119.542 120.570 -0.437 0.000 2.252 150 I HA -0.232 4.174 4.170 0.394 0.000 0.245 150 I C 2.203 178.088 176.117 -0.387 0.000 1.102 150 I CA 1.520 62.421 61.300 -0.665 0.000 1.385 150 I CB -0.448 36.979 38.000 -0.955 0.000 1.064 150 I HN -0.068 nan 8.210 nan 0.000 0.414 151 K N 0.329 120.575 120.400 -0.258 0.000 2.097 151 K HA -0.100 4.456 4.320 0.394 0.000 0.205 151 K C 2.096 178.633 176.600 -0.105 0.000 1.050 151 K CA 1.112 57.309 56.287 -0.149 0.000 0.938 151 K CB -0.114 32.323 32.500 -0.106 0.000 0.718 151 K HN 0.143 nan 8.250 nan 0.000 0.442 152 V N 1.524 121.376 119.914 -0.103 0.000 2.261 152 V HA -0.247 4.109 4.120 0.394 0.000 0.246 152 V C 2.192 178.263 176.094 -0.039 0.000 1.047 152 V CA 1.571 63.839 62.300 -0.053 0.000 1.015 152 V CB -0.330 31.472 31.823 -0.036 0.000 0.642 152 V HN 0.263 nan 8.190 nan 0.000 0.446 153 I N -0.479 120.054 120.570 -0.060 0.000 2.394 153 I HA -0.192 4.214 4.170 0.394 0.000 0.251 153 I C 2.254 178.359 176.117 -0.020 0.000 1.136 153 I CA 1.394 62.678 61.300 -0.026 0.000 1.425 153 I CB -0.419 37.579 38.000 -0.002 0.000 1.079 153 I HN 0.321 nan 8.210 nan 0.000 0.425 154 C N 0.196 119.473 119.300 -0.038 0.000 2.435 154 C HA -0.077 4.619 4.460 0.394 0.000 0.279 154 C C 2.570 177.555 174.990 -0.008 0.000 1.321 154 C CA 0.640 59.655 59.018 -0.005 0.000 1.752 154 C CB -1.086 26.649 27.740 -0.008 0.000 1.959 154 C HN 0.511 nan 8.230 nan 0.000 0.500 155 E N 0.215 120.404 120.200 -0.017 0.000 2.107 155 E HA -0.103 4.483 4.350 0.394 0.000 0.191 155 E C 2.184 178.782 176.600 -0.004 0.000 0.982 155 E CA 0.596 56.991 56.400 -0.009 0.000 0.809 155 E CB -0.162 29.534 29.700 -0.008 0.000 0.756 155 E HN 0.586 nan 8.360 nan 0.000 0.459 156 L N 0.475 121.696 121.223 -0.004 0.000 2.046 156 L HA -0.181 4.395 4.340 0.394 0.000 0.208 156 L C 1.896 178.751 176.870 -0.024 0.000 1.077 156 L CA 0.952 55.791 54.840 -0.002 0.000 0.747 156 L CB 0.069 42.130 42.059 0.003 0.000 0.896 156 L HN 0.197 nan 8.230 nan 0.000 0.432 157 L N -0.705 120.499 121.223 -0.031 0.000 2.529 157 L HA 0.243 4.819 4.340 0.394 0.000 0.223 157 L C 1.247 178.097 176.870 -0.033 0.000 1.113 157 L CA 1.024 55.839 54.840 -0.042 0.000 0.861 157 L CB -0.204 41.827 42.059 -0.046 0.000 1.012 157 L HN 0.355 nan 8.230 nan 0.000 0.461 158 G N 0.001 108.789 108.800 -0.020 0.000 2.248 158 G HA2 -0.191 4.005 3.960 0.394 0.000 0.252 158 G HA3 -0.191 4.005 3.960 0.394 0.000 0.252 158 G C -0.119 174.771 174.900 -0.016 0.000 1.085 158 G CA 0.111 45.199 45.100 -0.020 0.000 0.845 158 G HN 0.065 nan 8.290 nan 0.000 0.494 159 V N 1.395 121.315 119.914 0.011 0.000 2.350 159 V HA 0.350 4.706 4.120 0.394 0.000 0.276 159 V C 0.409 176.540 176.094 0.061 0.000 1.028 159 V CA -1.012 61.322 62.300 0.056 0.000 0.860 159 V CB 1.408 33.305 31.823 0.123 0.000 0.990 159 V HN 0.361 nan 8.190 nan 0.000 0.453 160 D N 3.251 123.687 120.400 0.060 0.000 2.360 160 D HA 0.064 4.940 4.640 0.394 0.000 0.242 160 D C 1.338 177.680 176.300 0.071 0.000 1.184 160 D CA -0.096 53.934 54.000 0.050 0.000 0.930 160 D CB 1.155 41.976 40.800 0.035 0.000 1.161 160 D HN 0.804 nan 8.370 nan 0.000 0.447 161 E N 0.387 120.614 120.200 0.045 0.000 2.086 161 E HA -0.193 4.394 4.350 0.394 0.000 0.200 161 E C 0.498 177.133 176.600 0.058 0.000 1.012 161 E CA 1.133 57.557 56.400 0.040 0.000 0.812 161 E CB -0.057 29.657 29.700 0.023 0.000 0.743 161 E HN 0.309 nan 8.360 nan 0.000 0.453 162 A N 0.350 123.208 122.820 0.064 0.000 2.922 162 A HA 0.603 5.160 4.320 0.394 0.000 0.298 162 A C 0.526 178.191 177.584 0.134 0.000 1.588 162 A CA 0.303 52.385 52.037 0.076 0.000 1.288 162 A CB -0.242 18.794 19.000 0.060 0.000 1.130 162 A HN 0.511 nan 8.150 nan 0.000 0.557 163 A N 2.370 125.288 122.820 0.164 0.000 2.571 163 A HA 0.150 4.706 4.320 0.394 0.000 0.194 163 A C 0.829 178.499 177.584 0.142 0.000 1.772 163 A CA -0.157 52.073 52.037 0.322 0.000 1.517 163 A CB -0.211 19.085 19.000 0.492 0.000 1.337 163 A HN 0.580 nan 8.150 nan 0.000 0.362 164 R N -0.274 120.314 120.500 0.146 0.000 2.822 164 R HA 0.430 5.006 4.340 0.394 0.000 0.277 164 R C 1.572 177.916 176.300 0.074 0.000 1.102 164 R CA 0.774 56.991 56.100 0.195 0.000 1.207 164 R CB -0.033 30.351 30.300 0.139 0.000 1.139 164 R HN 1.448 nan 8.270 nan 0.000 0.557 165 G N -0.258 108.609 108.800 0.110 0.000 3.444 165 G HA2 -0.459 3.737 3.960 0.394 0.000 0.222 165 G HA3 -0.459 3.737 3.960 0.394 0.000 0.222 165 G C 1.083 175.869 174.900 -0.189 0.000 1.358 165 G CA 0.737 45.832 45.100 -0.008 0.000 0.880 165 G HN 0.712 nan 8.290 nan 0.000 0.555 166 A N -0.204 122.411 122.820 -0.342 0.000 1.841 166 A HA 0.385 4.941 4.320 0.394 0.000 0.214 166 A C 2.177 178.940 177.584 -1.368 0.000 1.195 166 A CA 2.223 53.779 52.037 -0.803 0.000 0.611 166 A CB -0.635 17.945 19.000 -0.701 0.000 0.835 166 A HN 1.187 nan 8.150 nan 0.000 0.443 167 F N 1.302 120.557 119.950 -1.158 0.000 2.154 167 F HA -0.161 4.601 4.527 0.391 0.000 0.301 167 F C 2.318 177.732 175.800 -0.645 0.000 1.087 167 F CA 1.624 59.060 58.000 -0.939 0.000 1.274 167 F CB -0.500 37.855 39.000 -1.075 0.000 1.009 167 F HN 0.230 nan 8.300 nan 0.000 0.485 168 G N 0.386 109.092 108.800 -0.157 0.000 2.440 168 G HA2 -0.329 3.868 3.960 0.394 0.000 0.218 168 G HA3 -0.329 3.868 3.960 0.394 0.000 0.218 168 G C 1.614 176.489 174.900 -0.041 0.000 1.154 168 G CA 0.918 46.113 45.100 0.159 0.000 0.767 168 G HN 0.526 nan 8.290 nan 0.000 0.552 169 R N -1.358 118.992 120.500 -0.250 0.000 2.189 169 R HA 0.016 4.592 4.340 0.394 0.000 0.218 169 R C 2.067 178.292 176.300 -0.125 0.000 1.074 169 R CA 1.013 56.997 56.100 -0.193 0.000 0.991 169 R CB -0.336 29.828 30.300 -0.227 0.000 0.883 169 R HN 0.416 nan 8.270 nan 0.000 0.457 170 W N 1.743 122.909 121.300 -0.222 0.000 2.443 170 W HA 0.064 4.960 4.660 0.393 0.000 0.296 170 W C 2.507 178.863 176.519 -0.271 0.000 1.202 170 W CA 0.963 58.136 57.345 -0.287 0.000 1.312 170 W CB -0.999 28.185 29.460 -0.460 0.000 1.120 170 W HN 0.322 nan 8.180 nan 0.000 0.536 171 S N -0.581 115.044 115.700 -0.126 0.000 2.428 171 S HA -0.095 4.611 4.470 0.394 0.000 0.230 171 S C 1.804 176.441 174.600 0.061 0.000 1.014 171 S CA 1.292 59.464 58.200 -0.047 0.000 0.957 171 S CB -0.636 62.530 63.200 -0.056 0.000 0.784 171 S HN 0.016 nan 8.310 nan 0.000 0.499 172 S N 1.783 117.516 115.700 0.054 0.000 2.383 172 S HA -0.043 4.663 4.470 0.394 0.000 0.227 172 S C 1.902 176.527 174.600 0.042 0.000 1.026 172 S CA 1.341 59.572 58.200 0.052 0.000 0.981 172 S CB -0.381 62.835 63.200 0.026 0.000 0.818 172 S HN 0.674 nan 8.310 nan 0.000 0.472 173 E N 1.793 122.022 120.200 0.047 0.000 2.047 173 E HA -0.084 4.502 4.350 0.394 0.000 0.191 173 E C 1.768 178.402 176.600 0.057 0.000 0.987 173 E CA 0.995 57.423 56.400 0.047 0.000 0.799 173 E CB -0.351 29.386 29.700 0.063 0.000 0.752 173 E HN 0.292 nan 8.360 nan 0.000 0.449 174 I N 0.929 121.547 120.570 0.081 0.000 2.423 174 I HA -0.244 4.162 4.170 0.394 0.000 0.254 174 I C 2.173 178.337 176.117 0.078 0.000 1.151 174 I CA 1.086 62.456 61.300 0.116 0.000 1.421 174 I CB -1.064 37.047 38.000 0.184 0.000 1.079 174 I HN 0.255 nan 8.210 nan 0.000 0.431 175 L N 0.094 121.358 121.223 0.068 0.000 2.362 175 L HA -0.063 4.513 4.340 0.394 0.000 0.219 175 L C 0.690 177.577 176.870 0.028 0.000 1.134 175 L CA 0.418 55.289 54.840 0.052 0.000 0.807 175 L CB -0.285 41.809 42.059 0.059 0.000 0.927 175 L HN -0.031 nan 8.230 nan 0.000 0.447 176 V N 0.471 120.396 119.914 0.019 0.000 2.472 176 V HA 0.220 4.577 4.120 0.394 0.000 0.290 176 V C 0.187 176.280 176.094 -0.001 0.000 1.037 176 V CA -0.198 62.105 62.300 0.004 0.000 0.908 176 V CB 1.694 33.512 31.823 -0.009 0.000 0.985 176 V HN 0.141 nan 8.190 nan 0.000 0.454 177 M N 4.126 123.730 119.600 0.007 0.000 2.561 177 M HA 0.370 5.086 4.480 0.394 0.000 0.266 177 M C -0.909 175.373 176.300 -0.030 0.000 1.080 177 M CA -0.198 55.084 55.300 -0.030 0.000 0.993 177 M CB 0.676 33.257 32.600 -0.032 0.000 1.303 177 M HN 0.567 nan 8.290 nan 0.000 0.462 178 D N 3.640 124.018 120.400 -0.037 0.000 2.381 178 D HA 0.313 5.189 4.640 0.394 0.000 0.235 178 D C -1.645 174.625 176.300 -0.050 0.000 1.068 178 D CA -1.985 51.994 54.000 -0.034 0.000 0.832 178 D CB 2.147 42.930 40.800 -0.028 0.000 1.101 178 D HN 0.161 nan 8.370 nan 0.000 0.515 179 P HA -0.192 nan 4.420 nan 0.000 0.220 179 P C 0.825 178.099 177.300 -0.043 0.000 1.144 179 P CA 1.052 64.112 63.100 -0.067 0.000 0.800 179 P CB 0.250 31.907 31.700 -0.073 0.000 0.772 180 E N 0.526 120.707 120.200 -0.032 0.000 2.285 180 E HA -0.092 4.494 4.350 0.394 0.000 0.194 180 E C 1.697 178.285 176.600 -0.021 0.000 0.997 180 E CA 0.354 56.739 56.400 -0.024 0.000 0.845 180 E CB -0.300 29.388 29.700 -0.020 0.000 0.782 180 E HN 0.218 nan 8.360 nan 0.000 0.491 181 R N 0.170 120.658 120.500 -0.021 0.000 2.427 181 R HA 0.330 4.906 4.340 0.394 0.000 0.262 181 R C 1.767 178.061 176.300 -0.009 0.000 0.943 181 R CA 0.415 56.507 56.100 -0.014 0.000 1.081 181 R CB 0.540 30.834 30.300 -0.011 0.000 1.166 181 R HN 0.181 nan 8.270 nan 0.000 0.534 182 A N 1.695 124.506 122.820 -0.015 0.000 1.958 182 A HA -0.267 4.289 4.320 0.394 0.000 0.221 182 A C 2.027 179.615 177.584 0.007 0.000 1.178 182 A CA 1.651 53.685 52.037 -0.006 0.000 0.642 182 A CB -0.239 18.748 19.000 -0.021 0.000 0.816 182 A HN 0.405 nan 8.150 nan 0.000 0.453 183 E N -0.901 119.295 120.200 -0.006 0.000 2.028 183 E HA -0.243 4.343 4.350 0.394 0.000 0.191 183 E C 2.225 178.814 176.600 -0.019 0.000 0.988 183 E CA 1.387 57.780 56.400 -0.012 0.000 0.799 183 E CB -0.098 29.593 29.700 -0.016 0.000 0.755 183 E HN 0.673 nan 8.360 nan 0.000 0.447 184 Q N 0.315 120.108 119.800 -0.013 0.000 2.124 184 Q HA -0.146 4.430 4.340 0.394 0.000 0.202 184 Q C 2.102 178.093 176.000 -0.015 0.000 0.977 184 Q CA 1.500 57.296 55.803 -0.012 0.000 0.850 184 Q CB -0.218 28.520 28.738 0.000 0.000 0.901 184 Q HN 0.134 nan 8.270 nan 0.000 0.429 185 R N -0.336 120.167 120.500 0.006 0.000 2.075 185 R HA -0.100 4.476 4.340 0.394 0.000 0.232 185 R C 2.179 178.471 176.300 -0.014 0.000 1.126 185 R CA 1.435 57.556 56.100 0.036 0.000 0.963 185 R CB -0.570 29.782 30.300 0.086 0.000 0.858 185 R HN 0.408 nan 8.270 nan 0.000 0.435 186 G N 0.135 108.928 108.800 -0.013 0.000 2.422 186 G HA2 -0.278 3.918 3.960 0.394 0.000 0.218 186 G HA3 -0.278 3.918 3.960 0.394 0.000 0.218 186 G C 1.218 175.987 174.900 -0.218 0.000 1.146 186 G CA 0.476 45.511 45.100 -0.107 0.000 0.769 186 G HN 0.402 nan 8.290 nan 0.000 0.547 187 Q N 0.102 119.811 119.800 -0.151 0.000 2.046 187 Q HA 0.053 4.629 4.340 0.394 0.000 0.200 187 Q C 3.047 178.884 176.000 -0.272 0.000 0.975 187 Q CA 1.154 56.851 55.803 -0.176 0.000 0.836 187 Q CB -0.266 28.406 28.738 -0.110 0.000 0.896 187 Q HN 0.458 nan 8.270 nan 0.000 0.428 188 A N 1.146 123.825 122.820 -0.234 0.000 1.978 188 A HA -0.148 4.408 4.320 0.394 0.000 0.220 188 A C 2.265 179.608 177.584 -0.402 0.000 1.170 188 A CA 1.621 53.470 52.037 -0.313 0.000 0.636 188 A CB -0.705 18.260 19.000 -0.059 0.000 0.810 188 A HN 0.403 nan 8.150 nan 0.000 0.448 189 A N -0.508 122.073 122.820 -0.399 0.000 1.969 189 A HA -0.118 4.438 4.320 0.394 0.000 0.218 189 A C 2.218 179.627 177.584 -0.291 0.000 1.169 189 A CA 1.595 53.357 52.037 -0.458 0.000 0.635 189 A CB -0.415 17.722 19.000 -1.438 0.000 0.810 189 A HN 0.553 nan 8.150 nan 0.000 0.445 190 R N -0.479 119.813 120.500 -0.346 0.000 2.115 190 R HA -0.089 4.487 4.340 0.394 0.000 0.226 190 R C 1.759 177.859 176.300 -0.333 0.000 1.100 190 R CA 1.242 57.188 56.100 -0.257 0.000 0.980 190 R CB -0.081 30.090 30.300 -0.214 0.000 0.875 190 R HN 0.457 nan 8.270 nan 0.000 0.445 191 E N 0.397 120.260 120.200 -0.561 0.000 2.047 191 E HA -0.157 4.430 4.350 0.394 0.000 0.191 191 E C 2.130 178.269 176.600 -0.770 0.000 0.987 191 E CA 1.604 57.466 56.400 -0.897 0.000 0.799 191 E CB -0.535 28.047 29.700 -1.863 0.000 0.752 191 E HN 0.367 nan 8.360 nan 0.000 0.449 192 V N -0.401 119.131 119.914 -0.637 0.000 2.332 192 V HA -0.197 4.159 4.120 0.394 0.000 0.248 192 V C 2.399 178.481 176.094 -0.020 0.000 1.055 192 V CA 1.634 63.795 62.300 -0.231 0.000 1.038 192 V CB -0.998 30.688 31.823 -0.228 0.000 0.651 192 V HN 0.013 nan 8.190 nan 0.000 0.450 193 V N 1.708 121.551 119.914 -0.119 0.000 2.407 193 V HA -0.257 4.099 4.120 0.394 0.000 0.248 193 V C 2.508 178.490 176.094 -0.187 0.000 1.055 193 V CA 2.721 64.921 62.300 -0.167 0.000 1.049 193 V CB -1.281 30.460 31.823 -0.137 0.000 0.662 193 V HN 0.663 nan 8.190 nan 0.000 0.455 194 N N -0.486 118.124 118.700 -0.150 0.000 2.106 194 N HA -0.176 4.801 4.740 0.394 0.000 0.188 194 N C 1.824 177.318 175.510 -0.027 0.000 1.029 194 N CA 1.444 54.424 53.050 -0.117 0.000 0.848 194 N CB -0.281 38.136 38.487 -0.116 0.000 1.007 194 N HN 0.489 nan 8.380 nan 0.000 0.423 195 F N 2.109 122.011 119.950 -0.080 0.000 2.065 195 F HA -0.224 4.540 4.527 0.394 0.000 0.298 195 F C 1.932 177.738 175.800 0.010 0.000 1.112 195 F CA 1.336 59.370 58.000 0.057 0.000 1.212 195 F CB -0.145 39.025 39.000 0.283 0.000 0.975 195 F HN -0.022 nan 8.300 nan 0.000 0.476 196 I N 0.457 121.105 120.570 0.129 0.000 2.286 196 I HA -0.282 4.124 4.170 0.394 0.000 0.248 196 I C 2.508 178.519 176.117 -0.176 0.000 1.115 196 I CA 1.316 62.590 61.300 -0.044 0.000 1.392 196 I CB -1.458 36.549 38.000 0.012 0.000 1.065 196 I HN 0.310 nan 8.210 nan 0.000 0.418 197 L N 0.311 121.419 121.223 -0.191 0.000 2.046 197 L HA -0.241 4.335 4.340 0.394 0.000 0.208 197 L C 2.228 178.998 176.870 -0.167 0.000 1.077 197 L CA 1.362 56.085 54.840 -0.196 0.000 0.747 197 L CB -0.552 41.377 42.059 -0.217 0.000 0.896 197 L HN 0.224 nan 8.230 nan 0.000 0.432 198 D N -0.267 120.021 120.400 -0.187 0.000 2.117 198 D HA -0.160 4.716 4.640 0.394 0.000 0.198 198 D C 2.064 178.228 176.300 -0.226 0.000 0.982 198 D CA 0.863 54.753 54.000 -0.183 0.000 0.828 198 D CB -0.175 40.519 40.800 -0.176 0.000 0.967 198 D HN 0.112 nan 8.370 nan 0.000 0.464 199 L N 0.855 121.873 121.223 -0.343 0.000 1.989 199 L HA -0.175 4.401 4.340 0.394 0.000 0.211 199 L C 2.266 179.022 176.870 -0.189 0.000 1.071 199 L CA 1.438 56.080 54.840 -0.329 0.000 0.749 199 L CB -0.494 41.301 42.059 -0.440 0.000 0.890 199 L HN -0.119 nan 8.230 nan 0.000 0.431 200 V N -0.409 119.410 119.914 -0.158 0.000 2.407 200 V HA -0.284 4.072 4.120 0.394 0.000 0.248 200 V C 2.544 178.587 176.094 -0.085 0.000 1.055 200 V CA 1.851 64.089 62.300 -0.104 0.000 1.049 200 V CB -0.624 31.148 31.823 -0.085 0.000 0.662 200 V HN 0.621 nan 8.190 nan 0.000 0.455 201 E N 0.301 120.445 120.200 -0.094 0.000 2.047 201 E HA -0.219 4.367 4.350 0.394 0.000 0.191 201 E C 2.438 178.998 176.600 -0.067 0.000 0.987 201 E CA 1.299 57.656 56.400 -0.072 0.000 0.799 201 E CB -0.091 29.565 29.700 -0.072 0.000 0.752 201 E HN 0.497 nan 8.360 nan 0.000 0.449 202 R N -0.112 120.338 120.500 -0.083 0.000 2.081 202 R HA -0.092 4.484 4.340 0.394 0.000 0.235 202 R C 2.522 178.786 176.300 -0.060 0.000 1.131 202 R CA 1.275 57.332 56.100 -0.070 0.000 0.960 202 R CB -0.261 29.989 30.300 -0.084 0.000 0.856 202 R HN 0.002 nan 8.270 nan 0.000 0.436 203 R N 1.350 121.809 120.500 -0.068 0.000 2.105 203 R HA -0.082 4.494 4.340 0.394 0.000 0.239 203 R C 1.977 178.252 176.300 -0.040 0.000 1.135 203 R CA 1.606 57.673 56.100 -0.054 0.000 0.967 203 R CB -0.278 29.986 30.300 -0.060 0.000 0.861 203 R HN 0.154 nan 8.270 nan 0.000 0.442 204 R N -1.397 119.079 120.500 -0.040 0.000 2.115 204 R HA -0.014 4.562 4.340 0.394 0.000 0.230 204 R C 1.912 178.197 176.300 -0.025 0.000 1.111 204 R CA 1.725 57.807 56.100 -0.029 0.000 0.976 204 R CB -0.132 30.151 30.300 -0.028 0.000 0.870 204 R HN 0.233 nan 8.270 nan 0.000 0.445 205 T N 0.003 114.540 114.554 -0.029 0.000 2.851 205 T HA -0.085 4.501 4.350 0.394 0.000 0.262 205 T C 0.660 175.348 174.700 -0.021 0.000 1.043 205 T CA 0.818 62.904 62.100 -0.024 0.000 1.140 205 T CB 0.132 68.984 68.868 -0.027 0.000 0.872 205 T HN 0.203 nan 8.240 nan 0.000 0.446 206 E N 2.016 122.202 120.200 -0.025 0.000 2.489 206 E HA 0.282 4.868 4.350 0.394 0.000 0.232 206 E C -2.831 173.756 176.600 -0.021 0.000 0.990 206 E CA -2.337 54.050 56.400 -0.021 0.000 0.768 206 E CB 1.122 30.808 29.700 -0.022 0.000 1.270 206 E HN 0.142 nan 8.360 nan 0.000 0.423 207 P HA 0.204 nan 4.420 nan 0.000 0.270 207 P C -0.150 177.142 177.300 -0.013 0.000 1.223 207 P CA -0.073 63.018 63.100 -0.015 0.000 0.785 207 P CB 1.193 32.887 31.700 -0.011 0.000 0.923 208 G N 0.308 109.101 108.800 -0.011 0.000 2.947 208 G HA2 0.335 4.532 3.960 0.394 0.000 0.293 208 G HA3 0.335 4.532 3.960 0.394 0.000 0.293 208 G C -0.885 174.012 174.900 -0.005 0.000 1.243 208 G CA -0.452 44.644 45.100 -0.008 0.000 0.802 208 G HN 0.503 nan 8.290 nan 0.000 0.560 209 D N -0.135 120.264 120.400 -0.002 0.000 2.479 209 D HA 0.054 4.930 4.640 0.394 0.000 0.218 209 D C -0.304 175.999 176.300 0.005 0.000 1.177 209 D CA -0.150 53.852 54.000 0.003 0.000 0.830 209 D CB 0.119 40.922 40.800 0.006 0.000 1.014 209 D HN 0.483 nan 8.370 nan 0.000 0.503 210 D N 0.535 120.934 120.400 -0.001 0.000 2.398 210 D HA -0.048 4.828 4.640 0.394 0.000 0.247 210 D C 1.425 177.722 176.300 -0.006 0.000 1.227 210 D CA -0.727 53.271 54.000 -0.003 0.000 0.980 210 D CB 2.074 42.867 40.800 -0.013 0.000 1.106 210 D HN -0.085 nan 8.370 nan 0.000 0.493 211 L N 0.232 121.448 121.223 -0.013 0.000 2.046 211 L HA -0.163 4.413 4.340 0.394 0.000 0.208 211 L C 2.200 179.048 176.870 -0.038 0.000 1.077 211 L CA 1.353 56.178 54.840 -0.025 0.000 0.747 211 L CB -0.991 41.027 42.059 -0.068 0.000 0.896 211 L HN 0.524 nan 8.230 nan 0.000 0.432 212 L N -1.105 120.090 121.223 -0.046 0.000 2.046 212 L HA -0.151 4.425 4.340 0.394 0.000 0.208 212 L C 2.509 179.360 176.870 -0.031 0.000 1.077 212 L CA 1.967 56.780 54.840 -0.046 0.000 0.747 212 L CB -0.877 41.150 42.059 -0.054 0.000 0.896 212 L HN 0.300 nan 8.230 nan 0.000 0.432 213 S N -0.249 115.436 115.700 -0.025 0.000 2.368 213 S HA -0.166 4.540 4.470 0.394 0.000 0.225 213 S C 2.099 176.693 174.600 -0.010 0.000 1.030 213 S CA 1.112 59.301 58.200 -0.018 0.000 0.999 213 S CB -0.607 62.584 63.200 -0.014 0.000 0.844 213 S HN 0.653 nan 8.310 nan 0.000 0.459 214 A N 1.504 124.321 122.820 -0.005 0.000 1.902 214 A HA 0.003 4.559 4.320 0.394 0.000 0.217 214 A C 2.092 179.679 177.584 0.005 0.000 1.181 214 A CA 1.145 53.185 52.037 0.005 0.000 0.623 214 A CB -0.743 18.267 19.000 0.015 0.000 0.818 214 A HN 0.458 nan 8.150 nan 0.000 0.443 215 L N -0.496 120.725 121.223 -0.003 0.000 2.201 215 L HA -0.134 4.442 4.340 0.394 0.000 0.212 215 L C 2.300 179.169 176.870 -0.002 0.000 1.105 215 L CA 0.833 55.672 54.840 -0.001 0.000 0.775 215 L CB -0.450 41.602 42.059 -0.013 0.000 0.913 215 L HN 0.398 nan 8.230 nan 0.000 0.440 216 I N -1.125 119.441 120.570 -0.007 0.000 2.439 216 I HA -0.198 4.208 4.170 0.394 0.000 0.251 216 I C 2.158 178.274 176.117 -0.002 0.000 1.139 216 I CA 1.018 62.314 61.300 -0.007 0.000 1.438 216 I CB -0.068 37.924 38.000 -0.013 0.000 1.085 216 I HN 0.148 nan 8.210 nan 0.000 0.427 217 S N -0.282 115.418 115.700 -0.000 0.000 2.492 217 S HA 0.090 4.796 4.470 0.394 0.000 0.218 217 S C 0.805 175.408 174.600 0.005 0.000 1.016 217 S CA -0.237 57.964 58.200 0.002 0.000 0.916 217 S CB 0.293 63.494 63.200 0.001 0.000 0.791 217 S HN 0.165 nan 8.310 nan 0.000 0.513 218 V N 3.780 123.698 119.914 0.007 0.000 2.644 218 V HA 0.123 4.479 4.120 0.394 0.000 0.305 218 V C -0.178 175.921 176.094 0.009 0.000 1.053 218 V CA 0.681 62.988 62.300 0.011 0.000 1.186 218 V CB 0.387 32.220 31.823 0.016 0.000 0.895 218 V HN 0.618 nan 8.190 nan 0.000 0.490 219 Q N 3.961 123.766 119.800 0.008 0.000 2.482 219 Q HA 0.619 5.195 4.340 0.394 0.000 0.286 219 Q C -1.743 174.261 176.000 0.006 0.000 1.007 219 Q CA -0.990 54.817 55.803 0.007 0.000 0.801 219 Q CB 2.175 30.916 28.738 0.005 0.000 1.455 219 Q HN 0.653 nan 8.270 nan 0.000 0.398 220 D N -0.232 120.170 120.400 0.005 0.000 2.575 220 D HA 0.232 5.108 4.640 0.394 0.000 0.236 220 D C -0.050 176.252 176.300 0.003 0.000 1.075 220 D CA -0.461 53.542 54.000 0.004 0.000 0.860 220 D CB 1.795 42.596 40.800 0.002 0.000 1.475 220 D HN 0.555 nan 8.370 nan 0.000 0.474 221 D N 1.233 121.634 120.400 0.002 0.000 2.116 221 D HA -0.161 4.715 4.640 0.394 0.000 0.193 221 D C 0.669 176.970 176.300 0.002 0.000 0.998 221 D CA 1.346 55.347 54.000 0.002 0.000 0.836 221 D CB 0.263 41.064 40.800 0.001 0.000 0.951 221 D HN 0.556 nan 8.370 nan 0.000 0.449 222 D N -0.135 120.265 120.400 0.001 0.000 2.338 222 D HA -0.042 4.834 4.640 0.394 0.000 0.208 222 D C 0.853 177.154 176.300 0.001 0.000 0.997 222 D CA 0.397 54.398 54.000 0.001 0.000 0.880 222 D CB 0.101 40.901 40.800 0.001 0.000 0.980 222 D HN 0.139 nan 8.370 nan 0.000 0.509 223 D N 0.309 120.709 120.400 0.001 0.000 2.360 223 D HA 0.163 5.039 4.640 0.394 0.000 0.210 223 D C 1.564 177.866 176.300 0.003 0.000 1.047 223 D CA 0.486 54.487 54.000 0.001 0.000 0.854 223 D CB 0.958 41.757 40.800 -0.001 0.000 0.936 223 D HN 0.194 nan 8.370 nan 0.000 0.514 224 G N 1.857 110.659 108.800 0.003 0.000 2.583 224 G HA2 -0.323 3.873 3.960 0.394 0.000 0.292 224 G HA3 -0.323 3.873 3.960 0.394 0.000 0.292 224 G C 0.149 175.052 174.900 0.005 0.000 1.203 224 G CA 0.519 45.621 45.100 0.004 0.000 0.987 224 G HN 0.514 nan 8.290 nan 0.000 0.554 225 R N -1.314 119.189 120.500 0.006 0.000 2.885 225 R HA 0.788 5.364 4.340 0.394 0.000 0.260 225 R C -0.443 175.862 176.300 0.009 0.000 1.107 225 R CA -1.236 54.868 56.100 0.007 0.000 0.978 225 R CB 0.853 31.157 30.300 0.006 0.000 1.227 225 R HN 0.517 nan 8.270 nan 0.000 0.473 226 L N 2.304 123.534 121.223 0.011 0.000 2.360 226 L HA 0.229 4.805 4.340 0.394 0.000 0.276 226 L C 0.618 177.497 176.870 0.014 0.000 1.121 226 L CA -0.501 54.348 54.840 0.014 0.000 0.845 226 L CB 1.234 43.303 42.059 0.016 0.000 1.143 226 L HN 0.846 nan 8.230 nan 0.000 0.452 227 S N 2.346 118.056 115.700 0.016 0.000 2.608 227 S HA 0.308 5.014 4.470 0.394 0.000 0.261 227 S C 1.259 175.873 174.600 0.024 0.000 1.314 227 S CA -0.159 58.051 58.200 0.017 0.000 0.992 227 S CB 1.454 64.662 63.200 0.014 0.000 0.935 227 S HN 0.687 nan 8.310 nan 0.000 0.564 228 A N 1.159 123.996 122.820 0.027 0.000 1.873 228 A HA -0.168 4.388 4.320 0.394 0.000 0.218 228 A C 1.856 179.482 177.584 0.070 0.000 1.193 228 A CA 2.006 54.067 52.037 0.040 0.000 0.629 228 A CB -1.323 17.702 19.000 0.042 0.000 0.826 228 A HN 0.909 nan 8.150 nan 0.000 0.447 229 D N -0.455 119.991 120.400 0.077 0.000 2.097 229 D HA -0.140 4.736 4.640 0.394 0.000 0.195 229 D C 1.923 178.278 176.300 0.092 0.000 0.989 229 D CA 1.575 55.640 54.000 0.108 0.000 0.827 229 D CB -0.494 40.315 40.800 0.016 0.000 0.966 229 D HN 0.677 nan 8.370 nan 0.000 0.456 230 E N 0.510 120.742 120.200 0.053 0.000 2.085 230 E HA -0.135 4.451 4.350 0.394 0.000 0.194 230 E C 2.151 178.781 176.600 0.050 0.000 0.994 230 E CA 0.233 56.662 56.400 0.049 0.000 0.801 230 E CB -0.055 29.667 29.700 0.036 0.000 0.743 230 E HN 0.130 nan 8.360 nan 0.000 0.453 231 L N 1.195 122.442 121.223 0.040 0.000 2.017 231 L HA -0.175 4.401 4.340 0.394 0.000 0.208 231 L C 2.050 178.934 176.870 0.024 0.000 1.073 231 L CA 1.995 56.849 54.840 0.024 0.000 0.745 231 L CB -1.057 41.010 42.059 0.013 0.000 0.894 231 L HN 0.212 nan 8.230 nan 0.000 0.432 232 T N -0.942 113.640 114.554 0.047 0.000 2.708 232 T HA -0.176 4.410 4.350 0.394 0.000 0.266 232 T C 2.091 176.818 174.700 0.045 0.000 1.037 232 T CA 1.737 63.858 62.100 0.035 0.000 1.146 232 T CB -0.270 68.644 68.868 0.077 0.000 0.865 232 T HN 0.348 nan 8.240 nan 0.000 0.435 233 S N 0.412 116.173 115.700 0.102 0.000 2.383 233 S HA -0.004 4.702 4.470 0.394 0.000 0.227 233 S C 2.044 176.670 174.600 0.043 0.000 1.026 233 S CA 0.697 58.947 58.200 0.083 0.000 0.981 233 S CB -0.497 62.769 63.200 0.110 0.000 0.818 233 S HN 0.427 nan 8.310 nan 0.000 0.472 234 I N 1.457 122.052 120.570 0.043 0.000 2.179 234 I HA -0.175 4.231 4.170 0.394 0.000 0.242 234 I C 2.765 178.882 176.117 0.000 0.000 1.088 234 I CA 1.150 62.469 61.300 0.031 0.000 1.357 234 I CB -0.563 37.453 38.000 0.027 0.000 1.051 234 I HN 0.341 nan 8.210 nan 0.000 0.409 235 A N 0.847 123.658 122.820 -0.015 0.000 1.883 235 A HA -0.236 4.320 4.320 0.394 0.000 0.217 235 A C 2.259 179.832 177.584 -0.019 0.000 1.186 235 A CA 1.691 53.708 52.037 -0.034 0.000 0.624 235 A CB -0.894 18.081 19.000 -0.041 0.000 0.822 235 A HN 0.393 nan 8.150 nan 0.000 0.444 236 L N -0.184 121.029 121.223 -0.018 0.000 2.012 236 L HA -0.108 4.468 4.340 0.394 0.000 0.210 236 L C 2.365 179.242 176.870 0.012 0.000 1.073 236 L CA 2.022 56.850 54.840 -0.019 0.000 0.748 236 L CB -0.768 41.199 42.059 -0.153 0.000 0.891 236 L HN 0.138 nan 8.230 nan 0.000 0.431 237 V N -0.589 119.333 119.914 0.013 0.000 2.427 237 V HA -0.259 4.097 4.120 0.394 0.000 0.248 237 V C 2.568 178.715 176.094 0.087 0.000 1.051 237 V CA 1.800 64.144 62.300 0.074 0.000 1.048 237 V CB -0.261 31.619 31.823 0.094 0.000 0.666 237 V HN 0.451 nan 8.190 nan 0.000 0.456 238 L N -1.162 120.081 121.223 0.034 0.000 2.056 238 L HA -0.149 4.427 4.340 0.394 0.000 0.207 238 L C 2.385 179.278 176.870 0.039 0.000 1.078 238 L CA 1.119 55.957 54.840 -0.005 0.000 0.749 238 L CB -0.495 41.485 42.059 -0.132 0.000 0.901 238 L HN 0.336 nan 8.230 nan 0.000 0.433 239 L N -0.417 120.828 121.223 0.037 0.000 2.046 239 L HA -0.203 4.373 4.340 0.394 0.000 0.208 239 L C 2.301 179.298 176.870 0.212 0.000 1.077 239 L CA 1.544 56.417 54.840 0.055 0.000 0.747 239 L CB -0.435 41.547 42.059 -0.127 0.000 0.896 239 L HN 0.068 nan 8.230 nan 0.000 0.432 240 L N -0.390 120.980 121.223 0.245 0.000 2.017 240 L HA -0.145 4.431 4.340 0.394 0.000 0.208 240 L C 2.575 179.628 176.870 0.305 0.000 1.073 240 L CA 2.104 57.141 54.840 0.328 0.000 0.745 240 L CB -1.082 41.139 42.059 0.269 0.000 0.894 240 L HN 0.318 nan 8.230 nan 0.000 0.432 241 A N -0.927 122.032 122.820 0.232 0.000 1.877 241 A HA -0.120 4.436 4.320 0.394 0.000 0.216 241 A C 2.343 180.058 177.584 0.217 0.000 1.186 241 A CA 1.682 53.846 52.037 0.212 0.000 0.620 241 A CB -1.520 17.591 19.000 0.184 0.000 0.822 241 A HN 0.499 nan 8.150 nan 0.000 0.443 242 G N -1.861 107.062 108.800 0.205 0.000 2.422 242 G HA2 -0.170 4.026 3.960 0.394 0.000 0.218 242 G HA3 -0.170 4.026 3.960 0.394 0.000 0.218 242 G C 1.401 176.397 174.900 0.161 0.000 1.146 242 G CA 0.953 46.148 45.100 0.160 0.000 0.769 242 G HN 0.439 nan 8.290 nan 0.000 0.547 243 F N 0.394 120.402 119.950 0.098 0.000 2.325 243 F HA 0.084 4.847 4.527 0.394 0.000 0.299 243 F C 2.635 178.537 175.800 0.170 0.000 1.090 243 F CA 1.251 59.322 58.000 0.119 0.000 1.392 243 F CB 0.498 39.638 39.000 0.232 0.000 1.053 243 F HN 0.093 nan 8.300 nan 0.000 0.521 244 E N -1.229 119.177 120.200 0.344 0.000 2.399 244 E HA 0.199 4.785 4.350 0.394 0.000 0.206 244 E C 2.146 178.861 176.600 0.191 0.000 0.812 244 E CA 0.740 57.300 56.400 0.268 0.000 1.138 244 E CB -0.565 29.286 29.700 0.252 0.000 1.140 244 E HN 0.206 nan 8.360 nan 0.000 0.536 245 A N 1.573 124.503 122.820 0.182 0.000 1.851 245 A HA -0.162 4.394 4.320 0.394 0.000 0.216 245 A C 2.413 180.081 177.584 0.140 0.000 1.195 245 A CA 2.162 54.294 52.037 0.158 0.000 0.622 245 A CB -0.689 18.416 19.000 0.175 0.000 0.831 245 A HN 0.163 nan 8.150 nan 0.000 0.444 246 S N -0.477 115.301 115.700 0.131 0.000 2.423 246 S HA -0.086 4.621 4.470 0.394 0.000 0.231 246 S C 1.820 176.469 174.600 0.082 0.000 1.014 246 S CA 1.204 59.467 58.200 0.104 0.000 0.965 246 S CB -0.406 62.841 63.200 0.078 0.000 0.785 246 S HN 0.355 nan 8.310 nan 0.000 0.495 247 V N 1.658 121.630 119.914 0.096 0.000 2.295 247 V HA -0.168 4.188 4.120 0.394 0.000 0.246 247 V C 2.407 178.553 176.094 0.087 0.000 1.049 247 V CA 1.924 64.282 62.300 0.096 0.000 1.024 247 V CB -1.094 30.833 31.823 0.174 0.000 0.648 247 V HN 0.426 nan 8.190 nan 0.000 0.447 248 S N 0.395 116.155 115.700 0.101 0.000 2.359 248 S HA -0.217 4.490 4.470 0.394 0.000 0.224 248 S C 1.911 176.583 174.600 0.119 0.000 1.035 248 S CA 1.993 60.257 58.200 0.106 0.000 1.018 248 S CB -0.526 62.745 63.200 0.118 0.000 0.876 248 S HN 0.473 nan 8.310 nan 0.000 0.448 249 L N 2.087 123.379 121.223 0.115 0.000 1.994 249 L HA -0.036 4.540 4.340 0.394 0.000 0.208 249 L C 1.951 178.904 176.870 0.137 0.000 1.071 249 L CA 1.664 56.577 54.840 0.122 0.000 0.745 249 L CB -0.749 41.380 42.059 0.117 0.000 0.892 249 L HN 0.297 nan 8.230 nan 0.000 0.431 250 I N -0.299 120.340 120.570 0.115 0.000 2.179 250 I HA -0.223 4.183 4.170 0.394 0.000 0.242 250 I C 2.507 178.714 176.117 0.150 0.000 1.088 250 I CA 1.408 62.783 61.300 0.125 0.000 1.357 250 I CB -1.240 36.784 38.000 0.041 0.000 1.051 250 I HN 0.451 nan 8.210 nan 0.000 0.409 251 G N 1.111 109.978 108.800 0.111 0.000 2.404 251 G HA2 -0.162 4.034 3.960 0.394 0.000 0.215 251 G HA3 -0.162 4.034 3.960 0.394 0.000 0.215 251 G C 1.712 176.687 174.900 0.126 0.000 1.174 251 G CA 0.552 45.708 45.100 0.094 0.000 0.780 251 G HN 0.300 nan 8.290 nan 0.000 0.537 252 I N 1.273 121.934 120.570 0.150 0.000 2.226 252 I HA -0.075 4.331 4.170 0.394 0.000 0.245 252 I C 3.092 179.372 176.117 0.271 0.000 1.100 252 I CA 0.970 62.414 61.300 0.240 0.000 1.374 252 I CB -0.480 37.699 38.000 0.298 0.000 1.057 252 I HN 0.246 nan 8.210 nan 0.000 0.413 253 G N 0.252 109.187 108.800 0.224 0.000 2.440 253 G HA2 -0.242 3.954 3.960 0.394 0.000 0.218 253 G HA3 -0.242 3.954 3.960 0.394 0.000 0.218 253 G C 1.659 176.716 174.900 0.262 0.000 1.154 253 G CA 1.492 46.724 45.100 0.220 0.000 0.767 253 G HN 0.284 nan 8.290 nan 0.000 0.552 254 T N -0.309 114.427 114.554 0.305 0.000 2.746 254 T HA -0.165 4.421 4.350 0.394 0.000 0.267 254 T C 1.959 176.839 174.700 0.301 0.000 1.039 254 T CA 1.345 63.665 62.100 0.367 0.000 1.142 254 T CB -0.327 68.677 68.868 0.226 0.000 0.866 254 T HN 0.434 nan 8.240 nan 0.000 0.444 255 Y N 1.393 121.760 120.300 0.111 0.000 2.242 255 Y HA -0.004 4.771 4.550 0.375 0.000 0.291 255 Y C 1.914 177.855 175.900 0.068 0.000 1.137 255 Y CA 1.035 59.175 58.100 0.067 0.000 1.181 255 Y CB -0.350 38.122 38.460 0.019 0.000 0.989 255 Y HN 0.118 nan 8.280 nan 0.000 0.527 256 L N -0.496 120.704 121.223 -0.037 0.000 2.044 256 L HA -0.193 4.383 4.340 0.394 0.000 0.205 256 L C 2.384 179.104 176.870 -0.251 0.000 1.075 256 L CA 1.024 55.670 54.840 -0.323 0.000 0.747 256 L CB -0.535 41.126 42.059 -0.662 0.000 0.903 256 L HN 0.279 nan 8.230 nan 0.000 0.435 257 L N -0.941 120.226 121.223 -0.093 0.000 2.093 257 L HA -0.226 4.350 4.340 0.394 0.000 0.208 257 L C 2.513 179.371 176.870 -0.019 0.000 1.085 257 L CA 0.642 55.459 54.840 -0.040 0.000 0.755 257 L CB -0.389 41.526 42.059 -0.241 0.000 0.904 257 L HN 0.236 nan 8.230 nan 0.000 0.435 258 L N -0.034 121.209 121.223 0.034 0.000 2.083 258 L HA -0.165 4.411 4.340 0.394 0.000 0.209 258 L C 2.719 179.523 176.870 -0.110 0.000 1.083 258 L CA 2.328 57.185 54.840 0.029 0.000 0.752 258 L CB -1.005 41.088 42.059 0.057 0.000 0.899 258 L HN 0.422 nan 8.230 nan 0.000 0.433 259 T N -4.485 109.912 114.554 -0.262 0.000 3.113 259 T HA -0.008 4.578 4.350 0.394 0.000 0.256 259 T C 0.695 175.097 174.700 -0.496 0.000 1.131 259 T CA 0.287 62.149 62.100 -0.396 0.000 1.074 259 T CB -0.378 68.120 68.868 -0.617 0.000 0.944 259 T HN 0.303 nan 8.240 nan 0.000 0.516 260 H N 1.073 120.063 119.070 -0.134 0.000 2.348 260 H HA 0.258 5.062 4.556 0.413 0.000 0.232 260 H C -2.220 173.098 175.328 -0.018 0.000 1.419 260 H CA -1.769 54.256 56.048 -0.038 0.000 1.416 260 H CB 1.581 31.389 29.762 0.075 0.000 1.510 260 H HN 0.183 nan 8.280 nan 0.000 0.507 261 P HA -0.239 nan 4.420 nan 0.000 0.216 261 P C 1.200 178.511 177.300 0.019 0.000 1.157 261 P CA 1.877 64.983 63.100 0.009 0.000 0.880 261 P CB 0.343 32.039 31.700 -0.007 0.000 0.791 262 D N -1.026 119.394 120.400 0.033 0.000 2.106 262 D HA -0.240 4.636 4.640 0.394 0.000 0.191 262 D C 1.854 178.161 176.300 0.010 0.000 0.997 262 D CA 1.192 55.205 54.000 0.021 0.000 0.834 262 D CB -1.169 39.648 40.800 0.027 0.000 0.956 262 D HN 0.096 nan 8.370 nan 0.000 0.448 263 Q N -0.289 119.538 119.800 0.044 0.000 2.084 263 Q HA -0.077 4.499 4.340 0.394 0.000 0.202 263 Q C 2.353 178.336 176.000 -0.028 0.000 0.978 263 Q CA 0.649 56.451 55.803 -0.002 0.000 0.844 263 Q CB -0.634 28.145 28.738 0.067 0.000 0.898 263 Q HN 0.387 nan 8.270 nan 0.000 0.426 264 L N 0.909 122.117 121.223 -0.025 0.000 1.994 264 L HA -0.091 4.485 4.340 0.394 0.000 0.208 264 L C 2.174 178.982 176.870 -0.103 0.000 1.071 264 L CA 2.332 57.091 54.840 -0.135 0.000 0.745 264 L CB -1.188 40.763 42.059 -0.179 0.000 0.892 264 L HN 0.135 nan 8.230 nan 0.000 0.431 265 A N -0.380 122.409 122.820 -0.052 0.000 1.948 265 A HA -0.224 4.332 4.320 0.394 0.000 0.220 265 A C 2.299 179.862 177.584 -0.034 0.000 1.177 265 A CA 2.201 54.219 52.037 -0.031 0.000 0.636 265 A CB -1.030 17.961 19.000 -0.015 0.000 0.815 265 A HN 0.570 nan 8.150 nan 0.000 0.449 266 L N -0.593 120.604 121.223 -0.042 0.000 2.083 266 L HA -0.179 4.397 4.340 0.394 0.000 0.209 266 L C 2.507 179.352 176.870 -0.043 0.000 1.083 266 L CA 1.244 56.058 54.840 -0.043 0.000 0.752 266 L CB -0.645 41.379 42.059 -0.057 0.000 0.899 266 L HN 0.288 nan 8.230 nan 0.000 0.433 267 V N -0.464 119.415 119.914 -0.058 0.000 2.307 267 V HA -0.226 4.130 4.120 0.394 0.000 0.245 267 V C 2.574 178.651 176.094 -0.029 0.000 1.045 267 V CA 1.541 63.810 62.300 -0.051 0.000 1.024 267 V CB -0.698 31.073 31.823 -0.087 0.000 0.651 267 V HN 0.385 nan 8.190 nan 0.000 0.449 268 R N 0.405 120.884 120.500 -0.034 0.000 2.091 268 R HA -0.176 4.400 4.340 0.394 0.000 0.238 268 R C 2.435 178.737 176.300 0.002 0.000 1.136 268 R CA 1.691 57.789 56.100 -0.003 0.000 0.959 268 R CB -0.640 29.662 30.300 0.003 0.000 0.856 268 R HN 0.555 nan 8.270 nan 0.000 0.437 269 A N 0.515 123.331 122.820 -0.006 0.000 1.897 269 A HA -0.102 4.454 4.320 0.394 0.000 0.215 269 A C 0.645 178.228 177.584 -0.003 0.000 1.181 269 A CA 0.967 53.001 52.037 -0.004 0.000 0.620 269 A CB 0.100 19.095 19.000 -0.008 0.000 0.821 269 A HN 0.132 nan 8.150 nan 0.000 0.443 270 D N -1.538 118.858 120.400 -0.007 0.000 2.454 270 D HA 0.316 5.192 4.640 0.394 0.000 0.247 270 D C -1.906 174.395 176.300 0.001 0.000 1.129 270 D CA -2.075 51.923 54.000 -0.004 0.000 0.877 270 D CB 1.693 42.488 40.800 -0.009 0.000 1.082 270 D HN 0.034 nan 8.370 nan 0.000 0.537 271 P HA -0.135 nan 4.420 nan 0.000 0.219 271 P C 1.089 178.401 177.300 0.021 0.000 1.150 271 P CA 0.697 63.809 63.100 0.020 0.000 0.814 271 P CB 0.239 31.953 31.700 0.024 0.000 0.787 272 S N -0.270 115.438 115.700 0.015 0.000 2.507 272 S HA 0.051 4.757 4.470 0.394 0.000 0.235 272 S C 2.103 176.710 174.600 0.013 0.000 0.988 272 S CA 0.768 58.978 58.200 0.016 0.000 0.944 272 S CB -1.057 62.150 63.200 0.011 0.000 0.762 272 S HN 0.139 nan 8.310 nan 0.000 0.526 273 A N 1.368 124.191 122.820 0.005 0.000 2.067 273 A HA 0.262 4.818 4.320 0.394 0.000 0.217 273 A C 2.011 179.596 177.584 0.002 0.000 1.156 273 A CA 0.758 52.792 52.037 -0.006 0.000 0.683 273 A CB -0.634 18.353 19.000 -0.022 0.000 0.808 273 A HN 0.478 nan 8.150 nan 0.000 0.455 274 L N 0.545 121.779 121.223 0.018 0.000 2.013 274 L HA -0.090 4.486 4.340 0.394 0.000 0.212 274 L C -0.723 176.181 176.870 0.056 0.000 1.073 274 L CA 2.395 57.258 54.840 0.038 0.000 0.753 274 L CB -1.136 40.958 42.059 0.058 0.000 0.890 274 L HN 0.152 nan 8.230 nan 0.000 0.432 275 P HA -0.176 nan 4.420 nan 0.000 0.216 275 P C 1.145 178.493 177.300 0.081 0.000 1.153 275 P CA 1.809 64.954 63.100 0.075 0.000 0.858 275 P CB -0.090 31.648 31.700 0.064 0.000 0.789 276 N N -1.250 117.481 118.700 0.052 0.000 2.457 276 N HA -0.023 4.953 4.740 0.394 0.000 0.180 276 N C 1.495 177.016 175.510 0.018 0.000 1.050 276 N CA 0.754 53.831 53.050 0.044 0.000 0.906 276 N CB -0.481 38.016 38.487 0.016 0.000 0.968 276 N HN -0.072 nan 8.380 nan 0.000 0.445 277 A N -0.299 122.527 122.820 0.010 0.000 1.898 277 A HA -0.034 4.522 4.320 0.394 0.000 0.216 277 A C 2.199 179.824 177.584 0.068 0.000 1.181 277 A CA 1.212 53.244 52.037 -0.008 0.000 0.620 277 A CB -0.697 18.307 19.000 0.006 0.000 0.819 277 A HN 0.156 nan 8.150 nan 0.000 0.442 278 V N 0.389 120.364 119.914 0.103 0.000 2.427 278 V HA -0.204 4.152 4.120 0.394 0.000 0.248 278 V C 2.499 178.670 176.094 0.128 0.000 1.051 278 V CA 2.010 64.393 62.300 0.138 0.000 1.048 278 V CB -0.707 31.210 31.823 0.157 0.000 0.666 278 V HN 0.517 nan 8.190 nan 0.000 0.456 279 E N 0.063 120.348 120.200 0.140 0.000 2.110 279 E HA -0.251 4.335 4.350 0.394 0.000 0.193 279 E C 2.234 178.873 176.600 0.066 0.000 0.988 279 E CA 1.470 57.977 56.400 0.180 0.000 0.804 279 E CB -0.109 29.738 29.700 0.245 0.000 0.745 279 E HN 0.674 nan 8.360 nan 0.000 0.458 280 E N 1.094 121.311 120.200 0.028 0.000 2.106 280 E HA -0.096 4.490 4.350 0.394 0.000 0.192 280 E C 2.036 178.695 176.600 0.098 0.000 0.984 280 E CA 0.671 57.050 56.400 -0.036 0.000 0.806 280 E CB -0.295 29.261 29.700 -0.240 0.000 0.750 280 E HN 0.217 nan 8.360 nan 0.000 0.458 281 I N 0.171 120.866 120.570 0.208 0.000 2.208 281 I HA -0.276 4.130 4.170 0.394 0.000 0.245 281 I C 2.294 178.485 176.117 0.124 0.000 1.097 281 I CA 0.965 62.439 61.300 0.291 0.000 1.363 281 I CB -0.242 37.904 38.000 0.245 0.000 1.051 281 I HN 0.161 nan 8.210 nan 0.000 0.413 282 L N 0.119 121.326 121.223 -0.027 0.000 2.083 282 L HA -0.203 4.373 4.340 0.394 0.000 0.209 282 L C 2.785 179.466 176.870 -0.315 0.000 1.083 282 L CA 1.235 55.949 54.840 -0.211 0.000 0.752 282 L CB -0.517 41.300 42.059 -0.403 0.000 0.899 282 L HN 0.232 nan 8.230 nan 0.000 0.433 283 R N -0.820 119.465 120.500 -0.358 0.000 2.073 283 R HA -0.205 4.371 4.340 0.394 0.000 0.229 283 R C 2.382 178.557 176.300 -0.207 0.000 1.120 283 R CA 1.440 57.317 56.100 -0.372 0.000 0.967 283 R CB -0.406 29.681 30.300 -0.355 0.000 0.862 283 R HN 0.288 nan 8.270 nan 0.000 0.436 284 Y N 0.455 120.634 120.300 -0.201 0.000 2.089 284 Y HA -0.046 4.742 4.550 0.398 0.000 0.282 284 Y C 0.687 176.445 175.900 -0.236 0.000 1.139 284 Y CA 1.367 59.350 58.100 -0.195 0.000 1.123 284 Y CB 0.338 38.801 38.460 0.004 0.000 0.980 284 Y HN -0.030 nan 8.280 nan 0.000 0.493 285 I N 1.208 121.765 120.570 -0.021 0.000 2.623 285 I HA 0.285 4.692 4.170 0.394 0.000 0.275 285 I C -0.558 175.630 176.117 0.120 0.000 1.108 285 I CA -0.746 60.583 61.300 0.049 0.000 1.120 285 I CB 0.910 39.017 38.000 0.178 0.000 1.249 285 I HN 0.061 nan 8.210 nan 0.000 0.500 286 A N 6.985 129.855 122.820 0.084 0.000 2.492 286 A HA 0.342 4.898 4.320 0.394 0.000 0.254 286 A C -1.732 175.907 177.584 0.091 0.000 1.091 286 A CA -0.796 51.258 52.037 0.029 0.000 0.768 286 A CB 0.053 19.051 19.000 -0.003 0.000 1.028 286 A HN 0.420 nan 8.150 nan 0.000 0.498 287 P HA -0.047 nan 4.420 nan 0.000 0.215 287 P C -1.911 175.429 177.300 0.066 0.000 1.157 287 P CA 1.114 64.267 63.100 0.089 0.000 0.863 287 P CB -0.663 31.082 31.700 0.076 0.000 0.787 288 P HA 0.075 nan 4.420 nan 0.000 0.247 288 P C 0.484 177.801 177.300 0.029 0.000 1.756 288 P CA 0.336 63.457 63.100 0.034 0.000 1.117 288 P CB 0.225 31.943 31.700 0.030 0.000 1.869 289 E N 2.301 122.520 120.200 0.032 0.000 2.118 289 E HA -0.121 4.465 4.350 0.394 0.000 0.195 289 E C 0.462 177.055 176.600 -0.012 0.000 0.992 289 E CA 1.267 57.685 56.400 0.031 0.000 0.804 289 E CB 0.243 29.949 29.700 0.010 0.000 0.741 289 E HN 0.463 nan 8.360 nan 0.000 0.458 290 T N -2.100 112.440 114.554 -0.023 0.000 2.903 290 T HA 0.523 5.109 4.350 0.394 0.000 0.299 290 T C -0.401 174.292 174.700 -0.012 0.000 1.093 290 T CA -0.685 61.394 62.100 -0.036 0.000 1.002 290 T CB 1.968 70.797 68.868 -0.065 0.000 1.127 290 T HN 0.044 nan 8.240 nan 0.000 0.488 291 T N -0.580 113.970 114.554 -0.007 0.000 2.916 291 T HA 0.755 5.341 4.350 0.394 0.000 0.292 291 T C -0.501 174.204 174.700 0.007 0.000 1.055 291 T CA -0.814 61.283 62.100 -0.004 0.000 1.009 291 T CB 1.715 70.582 68.868 -0.002 0.000 1.118 291 T HN 0.736 nan 8.240 nan 0.000 0.497 292 T N 2.210 116.764 114.554 -0.001 0.000 2.885 292 T HA 0.787 5.373 4.350 0.394 0.000 0.285 292 T C -0.526 174.185 174.700 0.018 0.000 1.019 292 T CA -1.035 61.088 62.100 0.038 0.000 1.010 292 T CB 1.173 70.077 68.868 0.060 0.000 1.022 292 T HN 0.476 nan 8.240 nan 0.000 0.466 293 R N 0.895 121.451 120.500 0.093 0.000 2.774 293 R HA 0.531 5.107 4.340 0.394 0.000 0.272 293 R C -1.775 174.686 176.300 0.268 0.000 1.000 293 R CA -0.885 55.279 56.100 0.106 0.000 0.906 293 R CB 2.083 32.422 30.300 0.065 0.000 1.227 293 R HN 0.714 nan 8.270 nan 0.000 0.468 294 F N 0.552 120.570 119.950 0.113 0.000 2.493 294 F HA 0.560 5.323 4.527 0.393 0.000 0.329 294 F C -0.254 175.599 175.800 0.088 0.000 1.126 294 F CA -0.705 57.422 58.000 0.213 0.000 0.937 294 F CB 1.693 40.916 39.000 0.372 0.000 1.146 294 F HN 0.674 nan 8.300 nan 0.000 0.442 295 A N 5.061 127.519 122.820 -0.603 0.000 2.544 295 A HA 0.477 5.033 4.320 0.394 0.000 0.301 295 A C 0.984 178.124 177.584 -0.741 0.000 1.368 295 A CA 0.393 52.110 52.037 -0.534 0.000 1.045 295 A CB -0.313 18.416 19.000 -0.452 0.000 1.129 295 A HN 1.123 nan 8.150 nan 0.000 0.540 296 A N 2.609 125.183 122.820 -0.410 0.000 2.066 296 A HA 0.113 4.669 4.320 0.394 0.000 0.218 296 A C 0.848 178.190 177.584 -0.403 0.000 1.157 296 A CA 1.087 52.914 52.037 -0.350 0.000 0.670 296 A CB 0.004 19.023 19.000 0.032 0.000 0.804 296 A HN 0.775 nan 8.150 nan 0.000 0.453 297 E N -1.427 118.564 120.200 -0.349 0.000 2.433 297 E HA 0.349 4.935 4.350 0.394 0.000 0.273 297 E C -1.086 175.323 176.600 -0.319 0.000 0.950 297 E CA -0.836 55.379 56.400 -0.309 0.000 0.796 297 E CB 1.279 30.876 29.700 -0.173 0.000 1.330 297 E HN 0.351 nan 8.360 nan 0.000 0.455 298 E N 1.027 121.063 120.200 -0.274 0.000 2.360 298 E HA 0.235 4.822 4.350 0.394 0.000 0.269 298 E C -1.321 175.153 176.600 -0.210 0.000 1.022 298 E CA -0.149 56.101 56.400 -0.250 0.000 0.887 298 E CB 0.838 30.419 29.700 -0.199 0.000 0.990 298 E HN 0.098 nan 8.360 nan 0.000 0.426 299 V N 4.433 124.209 119.914 -0.230 0.000 2.638 299 V HA 0.194 4.550 4.120 0.394 0.000 0.306 299 V C -0.648 175.324 176.094 -0.204 0.000 1.052 299 V CA -0.743 61.442 62.300 -0.191 0.000 0.885 299 V CB 1.902 33.614 31.823 -0.185 0.000 0.999 299 V HN 0.753 nan 8.190 nan 0.000 0.424 300 E N 4.745 124.854 120.200 -0.153 0.000 2.109 300 E HA 0.482 5.068 4.350 0.394 0.000 0.278 300 E C -1.387 175.141 176.600 -0.120 0.000 0.954 300 E CA -0.530 55.783 56.400 -0.145 0.000 0.779 300 E CB 0.950 30.586 29.700 -0.106 0.000 1.093 300 E HN 0.444 nan 8.360 nan 0.000 0.401 301 I N 3.880 124.371 120.570 -0.132 0.000 2.410 301 I HA 0.261 4.667 4.170 0.394 0.000 0.286 301 I C 0.812 176.894 176.117 -0.059 0.000 1.009 301 I CA -0.346 60.900 61.300 -0.090 0.000 1.111 301 I CB 0.862 38.805 38.000 -0.095 0.000 1.262 301 I HN 0.885 nan 8.210 nan 0.000 0.443 302 G N 4.726 113.506 108.800 -0.034 0.000 2.305 302 G HA2 -0.119 4.077 3.960 0.394 0.000 0.287 302 G HA3 -0.119 4.077 3.960 0.394 0.000 0.287 302 G C 1.031 175.924 174.900 -0.010 0.000 1.036 302 G CA 0.786 45.879 45.100 -0.010 0.000 0.887 302 G HN 1.615 nan 8.290 nan 0.000 0.505 303 G N -3.371 105.413 108.800 -0.026 0.000 2.179 303 G HA2 -0.022 4.174 3.960 0.394 0.000 0.260 303 G HA3 -0.022 4.174 3.960 0.394 0.000 0.260 303 G C 0.345 175.223 174.900 -0.036 0.000 0.977 303 G CA 0.559 45.645 45.100 -0.024 0.000 0.641 303 G HN 1.707 nan 8.290 nan 0.000 0.533 304 V N 0.926 120.802 119.914 -0.063 0.000 2.459 304 V HA 0.791 5.147 4.120 0.394 0.000 0.295 304 V C 0.624 176.593 176.094 -0.209 0.000 1.029 304 V CA -0.403 61.835 62.300 -0.104 0.000 0.874 304 V CB 1.661 33.436 31.823 -0.079 0.000 0.985 304 V HN 1.104 nan 8.190 nan 0.000 0.438 305 A N 6.272 128.961 122.820 -0.217 0.000 2.302 305 A HA 0.696 5.252 4.320 0.394 0.000 0.295 305 A C -0.280 177.027 177.584 -0.462 0.000 1.235 305 A CA -0.278 51.602 52.037 -0.262 0.000 0.876 305 A CB -0.096 18.804 19.000 -0.167 0.000 1.133 305 A HN 0.797 nan 8.150 nan 0.000 0.533 306 I N 5.738 125.971 120.570 -0.562 0.000 2.312 306 I HA 0.231 4.637 4.170 0.394 0.000 0.291 306 I C -1.795 174.031 176.117 -0.485 0.000 1.031 306 I CA -2.045 58.748 61.300 -0.846 0.000 1.293 306 I CB 1.539 39.046 38.000 -0.821 0.000 1.403 306 I HN 0.510 nan 8.210 nan 0.000 0.484 307 P HA -0.085 nan 4.420 nan 0.000 0.267 307 P C -0.555 176.598 177.300 -0.245 0.000 1.200 307 P CA -0.123 62.865 63.100 -0.188 0.000 0.772 307 P CB 0.635 32.319 31.700 -0.028 0.000 0.855 308 Q N 1.413 121.033 119.800 -0.301 0.000 2.428 308 Q HA -0.088 4.488 4.340 0.394 0.000 0.276 308 Q C -0.352 175.367 176.000 -0.470 0.000 1.059 308 Q CA 0.170 55.654 55.803 -0.532 0.000 0.923 308 Q CB -0.125 28.195 28.738 -0.697 0.000 1.283 308 Q HN 0.397 nan 8.270 nan 0.000 0.447 309 Y N -0.566 119.446 120.300 -0.480 0.000 4.490 309 Y HA -0.264 4.522 4.550 0.393 0.000 0.233 309 Y C -0.098 175.589 175.900 -0.356 0.000 1.101 309 Y CA 0.774 58.561 58.100 -0.523 0.000 2.010 309 Y CB -2.244 36.176 38.460 -0.067 0.000 1.622 309 Y HN 0.344 nan 8.280 nan 0.000 0.675 310 S N -0.452 115.080 115.700 -0.279 0.000 2.646 310 S HA 0.650 5.356 4.470 0.394 0.000 0.276 310 S C 0.610 175.248 174.600 0.062 0.000 1.222 310 S CA -0.526 57.686 58.200 0.020 0.000 1.014 310 S CB 1.627 64.882 63.200 0.091 0.000 0.991 310 S HN 0.185 nan 8.310 nan 0.000 0.533 311 T N 2.126 116.855 114.554 0.292 0.000 2.771 311 T HA 0.487 5.073 4.350 0.394 0.000 0.281 311 T C -0.582 174.304 174.700 0.309 0.000 0.982 311 T CA -0.432 61.899 62.100 0.385 0.000 0.978 311 T CB 0.810 69.900 68.868 0.370 0.000 0.930 311 T HN 0.303 nan 8.240 nan 0.000 0.447 312 V N 5.218 125.283 119.914 0.252 0.000 2.459 312 V HA 0.456 4.812 4.120 0.394 0.000 0.295 312 V C -0.213 175.974 176.094 0.156 0.000 1.029 312 V CA -0.852 61.568 62.300 0.200 0.000 0.874 312 V CB 1.523 33.413 31.823 0.111 0.000 0.985 312 V HN 0.739 nan 8.190 nan 0.000 0.438 313 L N 5.332 126.631 121.223 0.126 0.000 2.313 313 L HA 0.444 5.020 4.340 0.394 0.000 0.273 313 L C -0.436 176.447 176.870 0.023 0.000 1.028 313 L CA -0.603 54.276 54.840 0.064 0.000 0.871 313 L CB 1.573 43.647 42.059 0.025 0.000 1.242 313 L HN 0.392 nan 8.230 nan 0.000 0.434 314 V N 2.960 122.883 119.914 0.014 0.000 2.439 314 V HA 0.172 4.528 4.120 0.394 0.000 0.271 314 V C 0.971 177.038 176.094 -0.045 0.000 1.040 314 V CA -0.265 62.029 62.300 -0.011 0.000 1.002 314 V CB 1.171 32.991 31.823 -0.005 0.000 1.000 314 V HN 0.812 nan 8.190 nan 0.000 0.477 315 A N 4.380 127.144 122.820 -0.093 0.000 2.922 315 A HA 0.285 4.841 4.320 0.394 0.000 0.298 315 A C 1.197 178.714 177.584 -0.111 0.000 1.588 315 A CA -0.450 51.486 52.037 -0.168 0.000 1.288 315 A CB -0.744 18.021 19.000 -0.392 0.000 1.130 315 A HN 0.901 nan 8.150 nan 0.000 0.557 316 N N 1.939 120.615 118.700 -0.040 0.000 2.091 316 N HA -0.189 4.787 4.740 0.394 0.000 0.193 316 N C 1.840 177.375 175.510 0.041 0.000 1.021 316 N CA 2.158 55.215 53.050 0.013 0.000 0.862 316 N CB -0.114 38.389 38.487 0.027 0.000 1.018 316 N HN 0.646 nan 8.380 nan 0.000 0.429 317 G N -0.261 108.570 108.800 0.052 0.000 2.422 317 G HA2 -0.075 4.122 3.960 0.394 0.000 0.218 317 G HA3 -0.075 4.122 3.960 0.394 0.000 0.218 317 G C 1.526 176.578 174.900 0.253 0.000 1.140 317 G CA 0.800 46.011 45.100 0.184 0.000 0.775 317 G HN 0.448 nan 8.290 nan 0.000 0.545 318 A N 1.139 123.963 122.820 0.007 0.000 1.929 318 A HA 0.412 4.968 4.320 0.394 0.000 0.216 318 A C 2.774 180.415 177.584 0.094 0.000 1.176 318 A CA 1.824 53.855 52.037 -0.010 0.000 0.628 318 A CB -0.669 18.042 19.000 -0.480 0.000 0.816 318 A HN 0.674 nan 8.150 nan 0.000 0.444 319 A N 0.458 123.331 122.820 0.089 0.000 1.978 319 A HA -0.195 4.361 4.320 0.394 0.000 0.220 319 A C 1.740 179.566 177.584 0.403 0.000 1.170 319 A CA 1.798 53.975 52.037 0.232 0.000 0.636 319 A CB -0.591 18.500 19.000 0.152 0.000 0.810 319 A HN 0.510 nan 8.150 nan 0.000 0.448 320 N N -0.423 118.407 118.700 0.216 0.000 2.512 320 N HA -0.029 4.947 4.740 0.394 0.000 0.183 320 N C 0.808 176.244 175.510 -0.124 0.000 1.073 320 N CA 0.536 53.586 53.050 0.001 0.000 0.911 320 N CB -0.017 38.372 38.487 -0.163 0.000 0.964 320 N HN 0.366 nan 8.380 nan 0.000 0.447 321 R N 0.300 120.810 120.500 0.016 0.000 2.613 321 R HA 0.144 4.720 4.340 0.394 0.000 0.361 321 R C -0.545 175.831 176.300 0.128 0.000 1.072 321 R CA -0.256 55.813 56.100 -0.051 0.000 1.089 321 R CB 0.160 30.287 30.300 -0.288 0.000 1.343 321 R HN 0.042 nan 8.270 nan 0.000 0.571 322 D N 2.294 122.846 120.400 0.254 0.000 2.316 322 D HA 0.118 4.994 4.640 0.394 0.000 0.245 322 D C -1.286 175.122 176.300 0.179 0.000 1.171 322 D CA -2.255 51.876 54.000 0.218 0.000 0.856 322 D CB 1.818 42.770 40.800 0.254 0.000 1.090 322 D HN -0.056 nan 8.370 nan 0.000 0.476 323 P HA -0.146 nan 4.420 nan 0.000 0.217 323 P C 1.164 178.474 177.300 0.017 0.000 1.148 323 P CA 0.747 63.901 63.100 0.090 0.000 0.828 323 P CB 0.370 32.121 31.700 0.085 0.000 0.783 324 S N -0.267 115.435 115.700 0.003 0.000 2.399 324 S HA -0.184 4.523 4.470 0.394 0.000 0.231 324 S C 2.104 176.598 174.600 -0.177 0.000 1.022 324 S CA 1.611 59.782 58.200 -0.049 0.000 0.983 324 S CB -0.492 62.704 63.200 -0.007 0.000 0.803 324 S HN 0.224 nan 8.310 nan 0.000 0.480 325 Q N -0.247 119.367 119.800 -0.309 0.000 2.304 325 Q HA 0.257 4.834 4.340 0.394 0.000 0.204 325 Q C -0.623 174.836 176.000 -0.902 0.000 0.936 325 Q CA 0.768 56.101 55.803 -0.783 0.000 0.878 325 Q CB 0.292 28.187 28.738 -1.405 0.000 0.983 325 Q HN 0.434 nan 8.270 nan 0.000 0.516 326 F N 2.691 122.566 119.950 -0.124 0.000 2.430 326 F HA 0.458 5.232 4.527 0.412 0.000 0.362 326 F C -2.191 173.594 175.800 -0.025 0.000 1.103 326 F CA -2.808 55.151 58.000 -0.068 0.000 1.045 326 F CB 1.550 40.522 39.000 -0.048 0.000 1.276 326 F HN -0.041 nan 8.300 nan 0.000 0.444 327 P HA -0.013 nan 4.420 nan 0.000 0.267 327 P C -0.058 177.300 177.300 0.097 0.000 1.205 327 P CA 0.321 63.462 63.100 0.069 0.000 0.765 327 P CB 1.038 32.755 31.700 0.029 0.000 0.828 328 D N 3.479 123.939 120.400 0.100 0.000 2.705 328 D HA -0.129 4.747 4.640 0.394 0.000 0.240 328 D C -1.030 175.361 176.300 0.152 0.000 1.137 328 D CA 0.388 54.456 54.000 0.114 0.000 0.677 328 D CB -0.763 40.082 40.800 0.076 0.000 1.049 328 D HN 0.321 nan 8.370 nan 0.000 0.427 329 P HA -0.200 nan 4.420 nan 0.000 0.217 329 P C 1.038 178.392 177.300 0.090 0.000 1.148 329 P CA 1.390 64.561 63.100 0.119 0.000 0.828 329 P CB -0.108 31.650 31.700 0.095 0.000 0.783 330 H N -1.057 118.063 119.070 0.082 0.000 2.562 330 H HA 0.105 4.899 4.556 0.397 0.000 0.272 330 H C 1.142 176.644 175.328 0.290 0.000 1.019 330 H CA 0.224 56.361 56.048 0.147 0.000 1.160 330 H CB -0.585 29.211 29.762 0.057 0.000 1.334 330 H HN 0.103 nan 8.280 nan 0.000 0.611 331 R N 0.955 121.615 120.500 0.267 0.000 2.215 331 R HA 0.106 4.682 4.340 0.394 0.000 0.336 331 R C -1.135 175.111 176.300 -0.090 0.000 0.996 331 R CA -0.801 55.361 56.100 0.103 0.000 0.847 331 R CB -0.097 30.236 30.300 0.055 0.000 1.127 331 R HN 0.043 nan 8.270 nan 0.000 0.465 332 F N 4.857 124.470 119.950 -0.562 0.000 2.462 332 F HA 0.196 4.736 4.527 0.022 0.000 0.360 332 F C -0.790 174.721 175.800 -0.481 0.000 1.134 332 F CA -0.171 57.290 58.000 -0.898 0.000 1.148 332 F CB 0.523 38.611 39.000 -1.521 0.000 1.147 332 F HN 0.540 nan 8.300 nan 0.000 0.550 333 D N 5.190 125.139 120.400 -0.751 0.000 2.542 333 D HA 0.193 5.069 4.640 0.394 0.000 0.252 333 D C 0.377 176.323 176.300 -0.590 0.000 1.222 333 D CA -0.385 53.278 54.000 -0.561 0.000 0.895 333 D CB 1.794 42.436 40.800 -0.264 0.000 1.207 333 D HN 0.323 nan 8.370 nan 0.000 0.558 334 V N 2.985 122.526 119.914 -0.622 0.000 2.913 334 V HA -0.138 4.218 4.120 0.394 0.000 0.260 334 V C 2.224 178.183 176.094 -0.225 0.000 1.098 334 V CA 2.433 64.477 62.300 -0.427 0.000 1.121 334 V CB -0.551 31.069 31.823 -0.337 0.000 0.714 334 V HN 0.801 nan 8.190 nan 0.000 0.487 335 T N -1.915 112.525 114.554 -0.191 0.000 3.051 335 T HA 0.013 4.599 4.350 0.394 0.000 0.255 335 T C 1.176 175.828 174.700 -0.080 0.000 1.085 335 T CA -0.167 61.867 62.100 -0.110 0.000 1.109 335 T CB -0.098 68.716 68.868 -0.091 0.000 0.921 335 T HN 0.503 nan 8.240 nan 0.000 0.488 336 R N 1.734 122.175 120.500 -0.098 0.000 2.802 336 R HA -0.049 4.527 4.340 0.394 0.000 0.264 336 R C -0.707 175.595 176.300 0.003 0.000 0.996 336 R CA 0.142 56.216 56.100 -0.044 0.000 1.123 336 R CB -0.072 30.196 30.300 -0.054 0.000 0.996 336 R HN 0.093 nan 8.270 nan 0.000 0.444 337 D N 1.989 122.415 120.400 0.042 0.000 2.422 337 D HA 0.016 4.892 4.640 0.394 0.000 0.227 337 D C 0.514 176.903 176.300 0.148 0.000 1.190 337 D CA -0.076 53.964 54.000 0.067 0.000 0.905 337 D CB 1.004 41.830 40.800 0.045 0.000 1.034 337 D HN 0.610 nan 8.370 nan 0.000 0.507 338 T N 0.766 115.411 114.554 0.151 0.000 3.129 338 T HA 0.112 4.698 4.350 0.394 0.000 0.251 338 T C 1.004 175.862 174.700 0.264 0.000 1.117 338 T CA -0.325 61.923 62.100 0.246 0.000 1.034 338 T CB -0.097 68.917 68.868 0.243 0.000 0.968 338 T HN 0.199 nan 8.240 nan 0.000 0.526 339 R N 0.924 121.522 120.500 0.163 0.000 2.583 339 R HA 0.366 4.942 4.340 0.394 0.000 0.274 339 R C 1.574 177.963 176.300 0.147 0.000 0.998 339 R CA 1.137 57.293 56.100 0.093 0.000 1.081 339 R CB -0.151 30.179 30.300 0.050 0.000 0.940 339 R HN 0.493 nan 8.270 nan 0.000 0.413 340 G N 1.269 110.131 108.800 0.103 0.000 2.176 340 G HA2 -0.306 3.890 3.960 0.394 0.000 0.253 340 G HA3 -0.306 3.890 3.960 0.394 0.000 0.253 340 G C -0.027 175.148 174.900 0.459 0.000 0.979 340 G CA 0.585 45.823 45.100 0.230 0.000 0.641 340 G HN 0.946 nan 8.290 nan 0.000 0.530 341 H N -0.377 118.982 119.070 0.482 0.000 2.836 341 H HA 0.533 5.332 4.556 0.405 0.000 0.368 341 H C 1.234 176.769 175.328 0.345 0.000 1.164 341 H CA -0.431 55.863 56.048 0.409 0.000 1.425 341 H CB 0.365 30.175 29.762 0.080 0.000 1.414 341 H HN 0.147 nan 8.280 nan 0.000 0.614 342 L N 1.436 122.967 121.223 0.514 0.000 2.741 342 L HA 0.171 4.747 4.340 0.394 0.000 0.237 342 L C 1.304 178.312 176.870 0.230 0.000 1.178 342 L CA 0.009 55.053 54.840 0.339 0.000 0.973 342 L CB 0.020 42.200 42.059 0.201 0.000 1.255 342 L HN 0.623 nan 8.230 nan 0.000 0.498 343 S N -0.001 115.819 115.700 0.200 0.000 2.447 343 S HA 0.009 4.715 4.470 0.394 0.000 0.233 343 S C 1.315 175.819 174.600 -0.160 0.000 1.006 343 S CA 1.206 59.343 58.200 -0.105 0.000 0.957 343 S CB -0.096 62.851 63.200 -0.420 0.000 0.773 343 S HN 0.424 nan 8.310 nan 0.000 0.507 344 F N 1.096 121.089 119.950 0.072 0.000 2.639 344 F HA 0.383 5.150 4.527 0.401 0.000 0.302 344 F C 1.428 176.976 175.800 -0.419 0.000 1.097 344 F CA -0.038 57.816 58.000 -0.244 0.000 1.294 344 F CB 0.517 39.252 39.000 -0.441 0.000 1.027 344 F HN 0.318 nan 8.300 nan 0.000 0.550 345 G N 1.238 110.082 108.800 0.072 0.000 2.582 345 G HA2 0.030 4.226 3.960 0.394 0.000 0.222 345 G HA3 0.030 4.226 3.960 0.394 0.000 0.222 345 G C -1.246 173.842 174.900 0.314 0.000 1.311 345 G CA -0.626 44.548 45.100 0.124 0.000 0.915 345 G HN 0.341 nan 8.290 nan 0.000 0.528 346 Q N -0.807 119.194 119.800 0.335 0.000 2.518 346 Q HA 0.665 5.241 4.340 0.394 0.000 0.254 346 Q C 0.260 176.404 176.000 0.239 0.000 0.962 346 Q CA 1.512 57.509 55.803 0.322 0.000 0.982 346 Q CB 1.072 29.920 28.738 0.183 0.000 1.516 346 Q HN 2.885 nan 8.270 nan 0.000 0.426 347 G N 2.528 111.446 108.800 0.197 0.000 2.508 347 G HA2 -0.233 3.964 3.960 0.394 0.000 0.220 347 G HA3 -0.233 3.964 3.960 0.394 0.000 0.220 347 G C 0.724 175.700 174.900 0.127 0.000 1.287 347 G CA 0.181 45.354 45.100 0.122 0.000 0.916 347 G HN 1.551 nan 8.290 nan 0.000 0.574 348 I N -2.382 118.213 120.570 0.042 0.000 2.567 348 I HA 0.037 4.443 4.170 0.394 0.000 0.257 348 I C 1.569 177.647 176.117 -0.066 0.000 1.184 348 I CA 1.954 63.242 61.300 -0.020 0.000 1.451 348 I CB -0.292 37.628 38.000 -0.134 0.000 1.089 348 I HN 0.451 nan 8.210 nan 0.000 0.441 349 H N 0.736 119.862 119.070 0.094 0.000 2.537 349 H HA 0.234 5.025 4.556 0.393 0.000 0.295 349 H C -0.105 175.337 175.328 0.189 0.000 1.054 349 H CA -0.617 55.487 56.048 0.094 0.000 1.156 349 H CB -0.324 29.428 29.762 -0.016 0.000 1.468 349 H HN 0.323 nan 8.280 nan 0.000 0.551 350 F N 1.738 121.791 119.950 0.172 0.000 2.623 350 F HA -0.097 4.665 4.527 0.393 0.000 0.383 350 F C 0.913 176.810 175.800 0.162 0.000 1.077 350 F CA -0.246 57.850 58.000 0.160 0.000 1.268 350 F CB 0.439 39.502 39.000 0.105 0.000 1.053 350 F HN 0.158 nan 8.300 nan 0.000 0.571 351 C N 9.758 128.851 119.300 -0.346 0.000 2.409 351 C HA -0.025 4.671 4.460 0.394 0.000 0.399 351 C C 1.697 176.654 174.990 -0.054 0.000 1.505 351 C CA -0.147 58.786 59.018 -0.141 0.000 1.435 351 C CB -1.569 26.104 27.740 -0.112 0.000 2.462 351 C HN 0.946 nan 8.230 nan 0.000 0.619 352 M N 4.493 124.154 119.600 0.103 0.000 2.618 352 M HA 0.213 4.929 4.480 0.394 0.000 0.240 352 M C 1.346 177.648 176.300 0.003 0.000 1.123 352 M CA 1.345 56.698 55.300 0.089 0.000 1.060 352 M CB -0.306 32.394 32.600 0.167 0.000 1.535 352 M HN 0.665 nan 8.290 nan 0.000 0.507 353 G N 0.797 109.638 108.800 0.068 0.000 3.233 353 G HA2 0.087 4.283 3.960 0.394 0.000 0.234 353 G HA3 0.087 4.283 3.960 0.394 0.000 0.234 353 G C 1.442 176.309 174.900 -0.055 0.000 1.137 353 G CA -0.337 44.829 45.100 0.110 0.000 0.763 353 G HN 0.512 nan 8.290 nan 0.000 0.549 354 R N 1.012 121.347 120.500 -0.275 0.000 2.113 354 R HA -0.123 4.453 4.340 0.394 0.000 0.244 354 R C -0.420 175.719 176.300 -0.268 0.000 1.142 354 R CA 1.956 57.690 56.100 -0.609 0.000 0.953 354 R CB -0.760 29.023 30.300 -0.863 0.000 0.860 354 R HN 0.254 nan 8.270 nan 0.000 0.438 355 P HA -0.164 nan 4.420 nan 0.000 0.215 355 P C 1.249 178.527 177.300 -0.036 0.000 1.153 355 P CA 0.928 63.964 63.100 -0.107 0.000 0.853 355 P CB -0.087 31.521 31.700 -0.155 0.000 0.788 356 L N -0.327 120.886 121.223 -0.018 0.000 2.027 356 L HA -0.057 4.519 4.340 0.394 0.000 0.206 356 L C 2.235 179.162 176.870 0.095 0.000 1.074 356 L CA 2.000 56.881 54.840 0.068 0.000 0.745 356 L CB -1.643 40.512 42.059 0.159 0.000 0.898 356 L HN -0.129 nan 8.230 nan 0.000 0.433 357 A N -0.573 122.320 122.820 0.121 0.000 1.908 357 A HA -0.213 4.343 4.320 0.394 0.000 0.218 357 A C 2.277 179.975 177.584 0.190 0.000 1.181 357 A CA 1.843 53.994 52.037 0.190 0.000 0.627 357 A CB -0.488 18.707 19.000 0.325 0.000 0.818 357 A HN 0.462 nan 8.150 nan 0.000 0.445 358 K N -0.797 119.705 120.400 0.170 0.000 2.025 358 K HA -0.114 4.442 4.320 0.394 0.000 0.207 358 K C 1.984 178.655 176.600 0.119 0.000 1.049 358 K CA 1.318 57.704 56.287 0.165 0.000 0.933 358 K CB -0.674 31.906 32.500 0.132 0.000 0.714 358 K HN 0.442 nan 8.250 nan 0.000 0.438 359 L N 2.300 123.575 121.223 0.087 0.000 1.970 359 L HA -0.195 4.381 4.340 0.394 0.000 0.212 359 L C 1.998 178.916 176.870 0.079 0.000 1.071 359 L CA 1.882 56.765 54.840 0.073 0.000 0.751 359 L CB -0.556 41.536 42.059 0.055 0.000 0.889 359 L HN 0.165 nan 8.230 nan 0.000 0.432 360 E N -0.515 119.731 120.200 0.077 0.000 2.085 360 E HA -0.177 4.409 4.350 0.394 0.000 0.194 360 E C 2.068 178.715 176.600 0.078 0.000 0.994 360 E CA 1.049 57.485 56.400 0.060 0.000 0.801 360 E CB -0.604 29.122 29.700 0.044 0.000 0.743 360 E HN 0.716 nan 8.360 nan 0.000 0.453 361 G N 1.304 110.169 108.800 0.110 0.000 2.421 361 G HA2 -0.296 3.900 3.960 0.394 0.000 0.216 361 G HA3 -0.296 3.900 3.960 0.394 0.000 0.216 361 G C 1.325 176.315 174.900 0.151 0.000 1.171 361 G CA 0.828 46.009 45.100 0.134 0.000 0.775 361 G HN 0.207 nan 8.290 nan 0.000 0.543 362 E N -0.164 120.119 120.200 0.138 0.000 2.031 362 E HA -0.089 4.497 4.350 0.394 0.000 0.193 362 E C 2.777 179.461 176.600 0.140 0.000 0.994 362 E CA 1.090 57.571 56.400 0.134 0.000 0.800 362 E CB -0.237 29.529 29.700 0.109 0.000 0.752 362 E HN 0.246 nan 8.360 nan 0.000 0.447 363 V N 1.485 121.471 119.914 0.121 0.000 2.332 363 V HA -0.317 4.039 4.120 0.394 0.000 0.248 363 V C 2.294 178.492 176.094 0.173 0.000 1.055 363 V CA 1.964 64.337 62.300 0.122 0.000 1.038 363 V CB -0.788 31.091 31.823 0.094 0.000 0.651 363 V HN 0.346 nan 8.190 nan 0.000 0.450 364 A N -0.183 122.751 122.820 0.190 0.000 1.858 364 A HA -0.146 4.410 4.320 0.394 0.000 0.216 364 A C 2.191 180.013 177.584 0.398 0.000 1.190 364 A CA 1.874 54.099 52.037 0.313 0.000 0.617 364 A CB -0.590 18.489 19.000 0.132 0.000 0.827 364 A HN 0.493 nan 8.150 nan 0.000 0.443 365 L N -1.175 120.251 121.223 0.339 0.000 2.141 365 L HA -0.152 4.424 4.340 0.394 0.000 0.209 365 L C 2.775 179.903 176.870 0.429 0.000 1.094 365 L CA 1.589 56.692 54.840 0.438 0.000 0.763 365 L CB -0.499 41.818 42.059 0.430 0.000 0.908 365 L HN 0.465 nan 8.230 nan 0.000 0.437 366 R N 0.473 121.140 120.500 0.278 0.000 2.073 366 R HA -0.180 4.396 4.340 0.394 0.000 0.234 366 R C 2.375 178.777 176.300 0.171 0.000 1.134 366 R CA 1.599 57.824 56.100 0.208 0.000 0.952 366 R CB -0.235 30.150 30.300 0.141 0.000 0.850 366 R HN 0.327 nan 8.270 nan 0.000 0.433 367 A N 1.257 124.166 122.820 0.148 0.000 1.873 367 A HA -0.130 4.426 4.320 0.394 0.000 0.215 367 A C 2.199 179.766 177.584 -0.029 0.000 1.186 367 A CA 1.060 53.136 52.037 0.064 0.000 0.616 367 A CB -0.711 18.351 19.000 0.103 0.000 0.823 367 A HN 0.421 nan 8.150 nan 0.000 0.442 368 L N -1.453 119.747 121.223 -0.038 0.000 1.971 368 L HA -0.220 4.356 4.340 0.394 0.000 0.215 368 L C 2.528 179.286 176.870 -0.186 0.000 1.072 368 L CA 2.249 56.940 54.840 -0.248 0.000 0.758 368 L CB -0.485 41.348 42.059 -0.377 0.000 0.889 368 L HN 0.490 nan 8.230 nan 0.000 0.433 369 F N -0.663 119.329 119.950 0.070 0.000 2.259 369 F HA -0.056 4.709 4.527 0.397 0.000 0.298 369 F C 2.408 178.222 175.800 0.023 0.000 1.088 369 F CA 0.932 58.973 58.000 0.068 0.000 1.358 369 F CB -0.729 38.313 39.000 0.071 0.000 1.040 369 F HN 0.128 nan 8.300 nan 0.000 0.505 370 G N -0.421 108.464 108.800 0.142 0.000 2.448 370 G HA2 -0.205 3.991 3.960 0.394 0.000 0.218 370 G HA3 -0.205 3.991 3.960 0.394 0.000 0.218 370 G C 1.632 176.492 174.900 -0.066 0.000 1.135 370 G CA 0.456 45.585 45.100 0.048 0.000 0.784 370 G HN 0.196 nan 8.290 nan 0.000 0.543 371 R N -0.512 119.874 120.500 -0.190 0.000 2.100 371 R HA 0.177 4.753 4.340 0.394 0.000 0.220 371 R C -0.066 175.853 176.300 -0.635 0.000 1.091 371 R CA 0.438 56.255 56.100 -0.473 0.000 0.986 371 R CB -0.223 29.655 30.300 -0.703 0.000 0.888 371 R HN 0.194 nan 8.270 nan 0.000 0.444 372 F N 1.888 121.795 119.950 -0.072 0.000 2.366 372 F HA 0.407 5.166 4.527 0.387 0.000 0.357 372 F C -1.666 174.133 175.800 -0.002 0.000 1.107 372 F CA -2.778 55.182 58.000 -0.066 0.000 1.208 372 F CB 1.889 40.808 39.000 -0.134 0.000 1.464 372 F HN 0.024 nan 8.300 nan 0.000 0.501 373 P HA -0.106 nan 4.420 nan 0.000 0.231 373 P C 0.876 178.252 177.300 0.128 0.000 1.158 373 P CA 0.950 64.124 63.100 0.124 0.000 0.763 373 P CB 0.419 32.161 31.700 0.069 0.000 0.805 374 A N -0.974 121.927 122.820 0.134 0.000 2.469 374 A HA 0.224 4.781 4.320 0.394 0.000 0.245 374 A C 0.639 178.269 177.584 0.076 0.000 1.221 374 A CA -0.346 51.747 52.037 0.094 0.000 0.946 374 A CB -0.520 18.522 19.000 0.070 0.000 1.049 374 A HN 0.127 nan 8.150 nan 0.000 0.529 375 L N 2.369 123.651 121.223 0.097 0.000 2.640 375 L HA 0.224 4.800 4.340 0.394 0.000 0.280 375 L C 0.508 177.397 176.870 0.033 0.000 1.229 375 L CA 1.018 55.865 54.840 0.012 0.000 0.919 375 L CB 0.054 42.099 42.059 -0.023 0.000 1.168 375 L HN 0.442 nan 8.230 nan 0.000 0.496 376 S N 4.576 120.264 115.700 -0.019 0.000 2.661 376 S HA 0.657 5.364 4.470 0.394 0.000 0.285 376 S C -0.786 173.797 174.600 -0.028 0.000 1.138 376 S CA -1.143 57.055 58.200 -0.003 0.000 0.855 376 S CB 1.155 64.352 63.200 -0.005 0.000 1.136 376 S HN 0.546 nan 8.310 nan 0.000 0.484 377 L N 1.969 123.183 121.223 -0.015 0.000 2.380 377 L HA 0.547 5.123 4.340 0.394 0.000 0.273 377 L C 1.429 178.284 176.870 -0.027 0.000 1.138 377 L CA 0.775 55.605 54.840 -0.017 0.000 0.832 377 L CB 0.709 42.770 42.059 0.003 0.000 1.124 377 L HN 1.076 nan 8.230 nan 0.000 0.454 378 G N 5.363 114.138 108.800 -0.042 0.000 2.712 378 G HA2 0.119 4.315 3.960 0.394 0.000 0.212 378 G HA3 0.119 4.315 3.960 0.394 0.000 0.212 378 G C 0.481 175.371 174.900 -0.018 0.000 1.142 378 G CA 0.552 45.629 45.100 -0.039 0.000 0.789 378 G HN 0.614 nan 8.290 nan 0.000 0.535 379 I N -4.114 116.451 120.570 -0.007 0.000 3.294 379 I HA 0.500 4.906 4.170 0.394 0.000 0.311 379 I C -1.274 174.861 176.117 0.030 0.000 1.111 379 I CA -1.319 59.989 61.300 0.014 0.000 0.976 379 I CB 1.668 39.679 38.000 0.019 0.000 1.260 379 I HN -0.341 nan 8.210 nan 0.000 0.474 380 D N 1.353 121.776 120.400 0.040 0.000 2.348 380 D HA 0.277 5.153 4.640 0.394 0.000 0.253 380 D C 1.067 177.419 176.300 0.087 0.000 1.161 380 D CA 0.319 54.349 54.000 0.049 0.000 0.876 380 D CB 2.050 42.877 40.800 0.045 0.000 1.160 380 D HN 0.717 nan 8.370 nan 0.000 0.459 381 A N 4.150 127.032 122.820 0.103 0.000 1.971 381 A HA -0.270 4.286 4.320 0.394 0.000 0.222 381 A C 1.637 179.364 177.584 0.239 0.000 1.182 381 A CA 1.936 54.094 52.037 0.202 0.000 0.649 381 A CB -0.262 18.816 19.000 0.130 0.000 0.818 381 A HN 0.621 nan 8.150 nan 0.000 0.458 382 D N -0.318 120.177 120.400 0.157 0.000 2.269 382 D HA -0.045 4.831 4.640 0.394 0.000 0.208 382 D C 1.046 177.430 176.300 0.140 0.000 0.963 382 D CA 0.993 55.084 54.000 0.152 0.000 0.864 382 D CB -0.084 40.777 40.800 0.101 0.000 0.936 382 D HN 0.457 nan 8.370 nan 0.000 0.505 383 D N 0.166 120.632 120.400 0.109 0.000 2.349 383 D HA -0.000 4.876 4.640 0.394 0.000 0.224 383 D C 0.022 176.358 176.300 0.060 0.000 1.029 383 D CA 0.128 54.177 54.000 0.082 0.000 0.879 383 D CB 0.679 41.516 40.800 0.061 0.000 0.906 383 D HN 0.052 nan 8.370 nan 0.000 0.528 384 V N 2.209 122.153 119.914 0.050 0.000 2.585 384 V HA -0.018 4.338 4.120 0.394 0.000 0.296 384 V C 0.734 176.746 176.094 -0.136 0.000 1.035 384 V CA -0.340 61.892 62.300 -0.113 0.000 1.084 384 V CB 1.284 32.928 31.823 -0.300 0.000 0.953 384 V HN -0.027 nan 8.190 nan 0.000 0.483 385 V N 2.512 122.315 119.914 -0.185 0.000 2.364 385 V HA 0.486 4.842 4.120 0.394 0.000 0.272 385 V C -0.699 175.251 176.094 -0.239 0.000 1.036 385 V CA -0.991 61.252 62.300 -0.095 0.000 0.880 385 V CB 0.430 32.239 31.823 -0.023 0.000 0.991 385 V HN 0.767 nan 8.190 nan 0.000 0.460 386 W N 3.630 124.939 121.300 0.015 0.000 2.351 386 W HA 0.582 5.459 4.660 0.362 0.000 0.311 386 W C 0.879 177.365 176.519 -0.055 0.000 1.168 386 W CA -0.470 56.877 57.345 0.004 0.000 1.200 386 W CB 0.959 30.479 29.460 0.099 0.000 1.221 386 W HN 0.683 nan 8.180 nan 0.000 0.519 387 R N 3.178 123.749 120.500 0.120 0.000 2.522 387 R HA 0.093 4.669 4.340 0.394 0.000 0.284 387 R C 0.226 176.523 176.300 -0.006 0.000 1.032 387 R CA -0.027 56.091 56.100 0.030 0.000 1.049 387 R CB 0.395 30.707 30.300 0.020 0.000 0.956 387 R HN 0.488 nan 8.270 nan 0.000 0.422 388 R N 2.740 123.183 120.500 -0.094 0.000 3.268 388 R HA 0.090 4.666 4.340 0.394 0.000 0.217 388 R C -0.679 175.536 176.300 -0.143 0.000 1.568 388 R CA 0.014 55.954 56.100 -0.266 0.000 1.322 388 R CB 0.550 30.547 30.300 -0.504 0.000 1.280 388 R HN 0.391 nan 8.270 nan 0.000 0.667 389 S N 1.795 117.484 115.700 -0.018 0.000 2.572 389 S HA 0.297 5.003 4.470 0.394 0.000 0.274 389 S C 0.401 175.002 174.600 0.002 0.000 1.150 389 S CA -0.747 57.466 58.200 0.022 0.000 0.944 389 S CB 1.100 64.308 63.200 0.014 0.000 1.071 389 S HN 0.530 nan 8.310 nan 0.000 0.479 390 L N 4.152 125.379 121.223 0.006 0.000 2.567 390 L HA 0.212 4.788 4.340 0.394 0.000 0.225 390 L C 1.705 178.559 176.870 -0.027 0.000 1.119 390 L CA 0.140 54.934 54.840 -0.076 0.000 0.871 390 L CB -0.121 41.829 42.059 -0.182 0.000 1.036 390 L HN 0.584 nan 8.230 nan 0.000 0.459 391 L N -0.153 121.077 121.223 0.011 0.000 2.068 391 L HA 0.098 4.674 4.340 0.394 0.000 0.204 391 L C 0.519 177.408 176.870 0.031 0.000 1.076 391 L CA 1.795 56.645 54.840 0.018 0.000 0.753 391 L CB 0.265 42.335 42.059 0.018 0.000 0.910 391 L HN 0.028 nan 8.230 nan 0.000 0.439 392 L N 0.412 121.659 121.223 0.040 0.000 2.568 392 L HA 0.297 4.874 4.340 0.394 0.000 0.262 392 L C -0.778 176.130 176.870 0.064 0.000 0.980 392 L CA -0.736 54.141 54.840 0.061 0.000 0.882 392 L CB 1.639 43.748 42.059 0.082 0.000 1.198 392 L HN 0.003 nan 8.230 nan 0.000 0.425 393 R N 1.859 122.403 120.500 0.074 0.000 2.643 393 R HA 0.684 5.260 4.340 0.394 0.000 0.270 393 R C 0.008 176.417 176.300 0.182 0.000 1.061 393 R CA 0.638 56.804 56.100 0.109 0.000 1.107 393 R CB 1.118 31.501 30.300 0.138 0.000 0.999 393 R HN 0.706 nan 8.270 nan 0.000 0.460 394 G N 2.056 110.986 108.800 0.216 0.000 2.441 394 G HA2 0.414 4.610 3.960 0.394 0.000 0.294 394 G HA3 0.414 4.610 3.960 0.394 0.000 0.294 394 G C -1.561 173.347 174.900 0.014 0.000 1.393 394 G CA -0.831 44.357 45.100 0.145 0.000 0.796 394 G HN 0.482 nan 8.290 nan 0.000 0.494 395 I N 0.944 121.438 120.570 -0.127 0.000 2.418 395 I HA 0.310 4.716 4.170 0.394 0.000 0.287 395 I C -0.206 175.819 176.117 -0.152 0.000 1.008 395 I CA -0.783 60.352 61.300 -0.275 0.000 1.104 395 I CB 2.252 39.978 38.000 -0.457 0.000 1.264 395 I HN 0.446 nan 8.210 nan 0.000 0.438 396 D N 2.766 123.095 120.400 -0.118 0.000 2.305 396 D HA -0.023 4.853 4.640 0.394 0.000 0.206 396 D C 0.426 176.716 176.300 -0.016 0.000 0.974 396 D CA 1.188 55.139 54.000 -0.081 0.000 0.871 396 D CB 0.466 41.225 40.800 -0.068 0.000 0.947 396 D HN 0.482 nan 8.370 nan 0.000 0.516 397 H N 0.143 119.132 119.070 -0.136 0.000 3.018 397 H HA 0.371 5.165 4.556 0.398 0.000 0.334 397 H C -1.789 173.469 175.328 -0.116 0.000 0.983 397 H CA -0.683 55.302 56.048 -0.105 0.000 1.363 397 H CB 1.452 31.161 29.762 -0.089 0.000 1.668 397 H HN -0.120 nan 8.280 nan 0.000 0.513 398 L N 9.038 129.985 121.223 -0.460 0.000 2.485 398 L HA 0.396 4.972 4.340 0.394 0.000 0.260 398 L C -2.749 173.897 176.870 -0.374 0.000 0.998 398 L CA -1.627 52.979 54.840 -0.391 0.000 0.883 398 L CB 1.626 43.572 42.059 -0.188 0.000 1.196 398 L HN 0.450 nan 8.230 nan 0.000 0.443 399 P HA 0.264 nan 4.420 nan 0.000 0.276 399 P C -0.928 176.280 177.300 -0.154 0.000 1.243 399 P CA -0.036 62.910 63.100 -0.257 0.000 0.768 399 P CB 1.467 33.049 31.700 -0.195 0.000 0.856 400 V N 1.371 121.200 119.914 -0.142 0.000 2.914 400 V HA 0.637 4.993 4.120 0.394 0.000 0.314 400 V C -0.172 175.830 176.094 -0.153 0.000 1.084 400 V CA -1.380 60.839 62.300 -0.136 0.000 0.963 400 V CB 2.416 34.139 31.823 -0.167 0.000 1.025 400 V HN 0.448 nan 8.190 nan 0.000 0.432 401 R N 2.093 122.512 120.500 -0.134 0.000 2.294 401 R HA 0.626 5.202 4.340 0.394 0.000 0.319 401 R C 0.253 176.439 176.300 -0.189 0.000 0.984 401 R CA -0.617 55.403 56.100 -0.133 0.000 0.861 401 R CB 1.456 31.709 30.300 -0.079 0.000 1.104 401 R HN 0.937 nan 8.270 nan 0.000 0.451 402 L N 3.252 124.315 121.223 -0.266 0.000 2.034 402 L HA -0.131 4.445 4.340 0.394 0.000 0.203 402 L C 2.000 178.789 176.870 -0.136 0.000 1.074 402 L CA 1.229 55.829 54.840 -0.400 0.000 0.748 402 L CB -0.462 41.233 42.059 -0.606 0.000 0.905 402 L HN 0.759 nan 8.230 nan 0.000 0.439 403 D N -0.331 120.032 120.400 -0.062 0.000 2.178 403 D HA -0.029 4.847 4.640 0.394 0.000 0.202 403 D C 0.906 177.214 176.300 0.014 0.000 0.974 403 D CA 1.245 55.254 54.000 0.015 0.000 0.841 403 D CB 0.221 41.027 40.800 0.010 0.000 0.953 403 D HN 0.320 nan 8.370 nan 0.000 0.478 404 G N 0.000 108.793 108.800 -0.011 0.000 5.446 404 G HA2 0.000 4.196 3.960 0.394 0.000 0.244 404 G HA3 0.000 4.196 3.960 0.394 0.000 0.244 404 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 404 G HN 0.000 nan 8.290 nan 0.000 0.925