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 3iyj_1_A DATA FIRST_RESID 2 DATA SEQUENCE ALWQQGQKLY LPPTPVSKVL CSETYVQRKS IFYHAETERL LTIGHPYYPV DATA SEQUENCE SIGAKTVPKV SANQYRVFKI QLPDPNQFAL PDRTVHNPSK ERLVWAVIGV DATA SEQUENCE QVSRGQPLGG TVTGHPTFNA LLDAENVNRK VTTQTTDDRK QTGLDAKQQQ DATA SEQUENCE ILLLGCTPAE GEYWTTARPC VTDRLENGAC PPLELKNKHI EDGDMMEIGF DATA SEQUENCE GAANFKEINA SKSDLPLDIQ NEICLYPDYL KMAEDAAGNS MFFFARKEQV DATA SEQUENCE YVRHIWTRGG SEKEAPTTDF YLKNNKGDAT LKIPSVHFGS PSGSLVSTDN DATA SEQUENCE QIFNRPYWLF RAQGMNNGIA WNNLLFLTVG DNTRGTNLTI SVASDGTPLT DATA SEQUENCE EYDSSKFNVY HRHMEEYKLA FILELCSVEI TAQTVSHLQG LMPSVLENWE DATA SEQUENCE IGVQPPTSSI LEDTYRYIES PATKCASNVI PAKEDPYAGF KFWNIDLKEK DATA SEQUENCE LSLDLDQFPL GRRFLAQQGA GCSTVRKRRI S 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 0.000 177.620 177.584 0.059 0.000 1.274 2 A CA 0.000 52.045 52.037 0.014 0.000 0.836 2 A CB 0.000 19.034 19.000 0.056 0.000 0.831 3 L N 1.387 122.625 121.223 0.025 0.000 2.643 3 L HA 0.833 5.173 4.340 -0.000 0.000 0.257 3 L C -2.272 174.640 176.870 0.070 0.000 0.922 3 L CA -0.279 54.637 54.840 0.127 0.000 0.909 3 L CB 1.175 43.279 42.059 0.076 0.000 1.424 3 L HN 0.740 nan 8.230 nan 0.000 0.422 4 W N 3.930 125.231 121.300 0.002 0.000 2.496 4 W HA 0.811 5.471 4.660 -0.000 0.000 0.327 4 W C -0.178 176.343 176.519 0.002 0.000 1.086 4 W CA -0.124 57.222 57.345 0.003 0.000 1.222 4 W CB 1.348 30.810 29.460 0.003 0.000 1.304 4 W HN 0.527 nan 8.180 nan 0.000 0.547 5 Q N 0.789 120.702 119.800 0.188 0.000 2.687 5 Q HA 0.456 4.796 4.340 -0.000 0.000 0.305 5 Q C -1.217 174.848 176.000 0.107 0.000 1.006 5 Q CA -1.323 54.550 55.803 0.117 0.000 0.763 5 Q CB 2.094 30.867 28.738 0.058 0.000 1.506 5 Q HN 0.387 nan 8.270 nan 0.000 0.459 6 Q N 0.197 120.040 119.800 0.072 0.000 2.425 6 Q HA 0.338 4.678 4.340 -0.000 0.000 0.254 6 Q C 0.445 176.468 176.000 0.038 0.000 1.032 6 Q CA -0.319 55.520 55.803 0.060 0.000 0.798 6 Q CB 1.362 30.128 28.738 0.048 0.000 1.210 6 Q HN 0.941 nan 8.270 nan 0.000 0.491 7 G N 2.410 111.230 108.800 0.034 0.000 2.394 7 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.215 7 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.215 7 G C 0.438 175.350 174.900 0.019 0.000 1.165 7 G CA 0.736 45.848 45.100 0.021 0.000 0.784 7 G HN 0.458 nan 8.290 nan 0.000 0.535 8 Q N -1.525 118.289 119.800 0.023 0.000 2.501 8 Q HA 0.526 4.866 4.340 -0.000 0.000 0.288 8 Q C -1.476 174.534 176.000 0.017 0.000 1.051 8 Q CA -1.024 54.792 55.803 0.022 0.000 0.788 8 Q CB 2.226 30.981 28.738 0.027 0.000 1.469 8 Q HN 0.046 nan 8.270 nan 0.000 0.416 9 K N 1.489 121.895 120.400 0.011 0.000 2.185 9 K HA 0.641 4.961 4.320 -0.000 0.000 0.269 9 K C -1.687 174.916 176.600 0.005 0.000 0.987 9 K CA -0.118 56.161 56.287 -0.013 0.000 0.865 9 K CB 0.648 33.130 32.500 -0.030 0.000 1.090 9 K HN 0.564 nan 8.250 nan 0.000 0.450 10 L N 4.121 125.339 121.223 -0.009 0.000 2.424 10 L HA 0.382 4.722 4.340 -0.000 0.000 0.258 10 L C -0.890 176.007 176.870 0.044 0.000 0.995 10 L CA -1.108 53.772 54.840 0.067 0.000 0.821 10 L CB 1.907 44.016 42.059 0.082 0.000 1.383 10 L HN 0.679 nan 8.230 nan 0.000 0.410 11 Y N 3.261 123.571 120.300 0.016 0.000 2.623 11 Y HA 0.186 4.736 4.550 -0.000 0.000 0.341 11 Y C 0.838 176.747 175.900 0.016 0.000 1.292 11 Y CA -0.702 57.407 58.100 0.015 0.000 1.840 11 Y CB -0.103 38.366 38.460 0.015 0.000 1.865 11 Y HN 0.315 nan 8.280 nan 0.000 0.440 12 L N 1.193 122.483 121.223 0.113 0.000 2.516 12 L HA 0.212 4.552 4.340 -0.000 0.000 0.288 12 L C -2.070 174.852 176.870 0.087 0.000 1.246 12 L CA -1.942 52.948 54.840 0.083 0.000 0.844 12 L CB -0.105 41.982 42.059 0.047 0.000 1.106 12 L HN 0.187 nan 8.230 nan 0.000 0.509 13 P HA 0.174 nan 4.420 nan 0.000 0.267 13 P C -2.235 175.096 177.300 0.051 0.000 1.209 13 P CA -0.741 62.395 63.100 0.059 0.000 0.763 13 P CB -0.119 31.608 31.700 0.045 0.000 0.816 14 P HA -0.004 nan 4.420 nan 0.000 0.269 14 P C -0.089 177.233 177.300 0.036 0.000 1.211 14 P CA 0.178 63.305 63.100 0.045 0.000 0.781 14 P CB 0.166 31.896 31.700 0.050 0.000 0.877 15 T N -1.140 113.432 114.554 0.031 0.000 2.856 15 T HA 0.438 4.788 4.350 -0.000 0.000 0.292 15 T C -2.202 172.515 174.700 0.028 0.000 0.980 15 T CA -1.634 60.482 62.100 0.027 0.000 1.091 15 T CB -0.278 68.603 68.868 0.022 0.000 0.936 15 T HN 0.217 nan 8.240 nan 0.000 0.503 16 P HA 0.369 nan 4.420 nan 0.000 0.267 16 P C -1.023 176.296 177.300 0.032 0.000 1.201 16 P CA -0.468 62.651 63.100 0.031 0.000 0.775 16 P CB 0.396 32.114 31.700 0.030 0.000 0.854 17 V N 0.062 119.998 119.914 0.036 0.000 3.087 17 V HA 0.288 4.408 4.120 -0.000 0.000 0.306 17 V C -0.066 176.057 176.094 0.048 0.000 1.187 17 V CA -0.927 61.396 62.300 0.037 0.000 0.999 17 V CB 2.000 33.844 31.823 0.035 0.000 1.049 17 V HN 0.596 nan 8.190 nan 0.000 0.431 18 S N 2.680 118.412 115.700 0.052 0.000 2.546 18 S HA 0.211 4.681 4.470 -0.000 0.000 0.290 18 S C -0.138 174.513 174.600 0.084 0.000 1.290 18 S CA -0.058 58.187 58.200 0.075 0.000 1.069 18 S CB -0.207 63.037 63.200 0.074 0.000 0.846 18 S HN 0.776 nan 8.310 nan 0.000 0.495 19 K N 3.660 124.121 120.400 0.102 0.000 2.323 19 K HA 0.554 4.874 4.320 -0.000 0.000 0.259 19 K C -0.536 176.156 176.600 0.153 0.000 0.947 19 K CA -1.001 55.347 56.287 0.102 0.000 0.819 19 K CB 1.626 34.171 32.500 0.076 0.000 1.109 19 K HN 0.355 nan 8.250 nan 0.000 0.429 20 V N 4.634 124.656 119.914 0.180 0.000 2.599 20 V HA 0.011 4.131 4.120 -0.000 0.000 0.300 20 V C -0.426 175.777 176.094 0.182 0.000 1.034 20 V CA -0.356 62.116 62.300 0.287 0.000 1.115 20 V CB 0.412 32.391 31.823 0.260 0.000 0.934 20 V HN 0.717 nan 8.190 nan 0.000 0.485 21 L N 9.422 130.716 121.223 0.117 0.000 2.261 21 L HA 0.453 4.793 4.340 -0.000 0.000 0.289 21 L C 0.444 177.311 176.870 -0.006 0.000 1.059 21 L CA -0.235 54.605 54.840 -0.001 0.000 0.816 21 L CB -0.176 41.826 42.059 -0.096 0.000 1.191 21 L HN 0.959 nan 8.230 nan 0.000 0.431 22 C N 2.276 121.568 119.300 -0.013 0.000 2.568 22 C HA 0.053 4.513 4.460 -0.000 0.000 0.401 22 C C 2.167 177.002 174.990 -0.257 0.000 1.338 22 C CA 0.076 59.065 59.018 -0.049 0.000 1.721 22 C CB -1.056 26.662 27.740 -0.036 0.000 2.624 22 C HN 1.001 nan 8.230 nan 0.000 0.614 23 S N 0.181 115.737 115.700 -0.239 0.000 2.440 23 S HA -0.245 4.225 4.470 -0.000 0.000 0.238 23 S C 1.599 175.826 174.600 -0.622 0.000 1.010 23 S CA 1.566 59.447 58.200 -0.531 0.000 0.972 23 S CB -0.638 62.534 63.200 -0.046 0.000 0.774 23 S HN 0.931 nan 8.310 nan 0.000 0.501 24 E N 1.237 121.234 120.200 -0.339 0.000 2.118 24 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 24 E C 1.664 178.117 176.600 -0.246 0.000 0.992 24 E CA 1.623 57.886 56.400 -0.229 0.000 0.804 24 E CB -0.425 29.196 29.700 -0.133 0.000 0.741 24 E HN 0.650 nan 8.360 nan 0.000 0.458 25 T N 0.116 114.477 114.554 -0.321 0.000 2.746 25 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 25 T C 1.199 175.838 174.700 -0.101 0.000 1.039 25 T CA 1.722 63.704 62.100 -0.197 0.000 1.142 25 T CB -0.327 68.446 68.868 -0.157 0.000 0.866 25 T HN 0.474 nan 8.240 nan 0.000 0.444 26 Y N -0.199 120.123 120.300 0.036 0.000 2.485 26 Y HA 0.656 5.206 4.550 -0.000 0.000 0.260 26 Y C 0.026 175.980 175.900 0.090 0.000 1.173 26 Y CA -1.330 56.805 58.100 0.059 0.000 1.252 26 Y CB -0.639 37.867 38.460 0.077 0.000 1.123 26 Y HN -0.135 nan 8.280 nan 0.000 0.524 27 V N 2.916 122.908 119.914 0.131 0.000 2.384 27 V HA 0.302 4.422 4.120 -0.000 0.000 0.287 27 V C -0.491 175.628 176.094 0.042 0.000 1.020 27 V CA -0.848 61.539 62.300 0.146 0.000 0.850 27 V CB 1.440 33.305 31.823 0.069 0.000 0.987 27 V HN 0.123 nan 8.190 nan 0.000 0.436 28 Q N 4.290 124.122 119.800 0.053 0.000 2.243 28 Q HA 0.469 4.809 4.340 -0.000 0.000 0.252 28 Q C -0.276 175.723 176.000 -0.002 0.000 0.909 28 Q CA -0.182 55.634 55.803 0.022 0.000 0.922 28 Q CB 1.624 30.379 28.738 0.028 0.000 1.215 28 Q HN 0.559 nan 8.270 nan 0.000 0.427 29 R N 2.267 122.761 120.500 -0.010 0.000 2.255 29 R HA 0.343 4.683 4.340 -0.000 0.000 0.326 29 R C 0.176 176.471 176.300 -0.009 0.000 0.986 29 R CA -0.754 55.330 56.100 -0.027 0.000 0.847 29 R CB 1.221 31.500 30.300 -0.035 0.000 1.111 29 R HN 0.266 nan 8.270 nan 0.000 0.452 30 K N 0.889 121.279 120.400 -0.016 0.000 2.155 30 K HA 0.138 4.458 4.320 -0.000 0.000 0.237 30 K C 0.797 177.404 176.600 0.011 0.000 1.040 30 K CA -0.191 56.105 56.287 0.015 0.000 0.912 30 K CB 0.796 33.312 32.500 0.026 0.000 1.137 30 K HN 0.580 nan 8.250 nan 0.000 0.498 31 S N -0.138 115.609 115.700 0.078 0.000 2.506 31 S HA 0.271 4.741 4.470 -0.000 0.000 0.245 31 S C 0.170 174.942 174.600 0.286 0.000 1.088 31 S CA -0.602 57.713 58.200 0.191 0.000 1.099 31 S CB -0.594 62.735 63.200 0.215 0.000 0.805 31 S HN 0.281 nan 8.310 nan 0.000 0.461 32 I N 1.552 122.154 120.570 0.053 0.000 2.525 32 I HA 0.638 4.808 4.170 -0.000 0.000 0.301 32 I C -0.549 175.494 176.117 -0.123 0.000 0.992 32 I CA -0.873 60.523 61.300 0.160 0.000 1.162 32 I CB 0.790 38.924 38.000 0.224 0.000 1.332 32 I HN 0.122 nan 8.210 nan 0.000 0.458 33 F N 4.068 124.003 119.950 -0.026 0.000 2.588 33 F HA 0.666 5.193 4.527 -0.000 0.000 0.314 33 F C -0.685 174.936 175.800 -0.298 0.000 1.069 33 F CA -0.972 56.979 58.000 -0.080 0.000 0.931 33 F CB 1.406 40.252 39.000 -0.256 0.000 1.260 33 F HN 0.184 nan 8.300 nan 0.000 0.465 34 Y N -0.854 119.423 120.300 -0.039 0.000 2.581 34 Y HA 0.461 5.011 4.550 -0.000 0.000 0.345 34 Y C -0.952 174.841 175.900 -0.177 0.000 1.036 34 Y CA -1.170 56.852 58.100 -0.131 0.000 1.042 34 Y CB 2.071 40.342 38.460 -0.315 0.000 1.289 34 Y HN 0.623 nan 8.280 nan 0.000 0.471 35 H N 0.946 119.915 119.070 -0.169 0.000 2.708 35 H HA 0.763 5.319 4.556 -0.000 0.000 0.320 35 H C -1.412 173.677 175.328 -0.398 0.000 0.991 35 H CA -0.604 55.241 56.048 -0.338 0.000 1.243 35 H CB 0.809 30.200 29.762 -0.618 0.000 1.446 35 H HN 0.743 nan 8.280 nan 0.000 0.502 36 A N 5.052 127.471 122.820 -0.669 0.000 2.322 36 A HA 0.268 4.588 4.320 -0.000 0.000 0.327 36 A C -0.312 177.076 177.584 -0.326 0.000 1.394 36 A CA -0.676 51.133 52.037 -0.380 0.000 0.921 36 A CB 0.038 18.872 19.000 -0.278 0.000 1.153 36 A HN 0.835 nan 8.150 nan 0.000 0.523 37 E N 2.885 122.977 120.200 -0.181 0.000 2.113 37 E HA 0.396 4.746 4.350 -0.000 0.000 0.273 37 E C 0.092 176.715 176.600 0.039 0.000 0.924 37 E CA -0.440 55.972 56.400 0.020 0.000 0.764 37 E CB 0.853 30.744 29.700 0.318 0.000 1.104 37 E HN 0.619 nan 8.360 nan 0.000 0.406 38 T N 2.245 116.801 114.554 0.004 0.000 2.897 38 T HA 0.225 4.575 4.350 -0.000 0.000 0.294 38 T C 0.206 174.903 174.700 -0.005 0.000 1.004 38 T CA -0.946 61.139 62.100 -0.026 0.000 1.106 38 T CB 1.215 70.016 68.868 -0.112 0.000 0.949 38 T HN 0.353 nan 8.240 nan 0.000 0.520 39 E N 2.018 122.223 120.200 0.010 0.000 2.366 39 E HA 0.142 4.492 4.350 -0.000 0.000 0.266 39 E C 0.646 177.250 176.600 0.007 0.000 1.051 39 E CA -0.441 55.975 56.400 0.027 0.000 0.884 39 E CB 0.635 30.361 29.700 0.043 0.000 1.006 39 E HN 0.820 nan 8.360 nan 0.000 0.417 40 R N 1.875 122.384 120.500 0.015 0.000 2.500 40 R HA -0.004 4.336 4.340 -0.000 0.000 0.281 40 R C -0.433 175.896 176.300 0.047 0.000 0.953 40 R CA 0.358 56.465 56.100 0.013 0.000 1.108 40 R CB -0.291 30.019 30.300 0.016 0.000 0.901 40 R HN 0.300 nan 8.270 nan 0.000 0.410 41 L N 4.692 125.952 121.223 0.061 0.000 2.296 41 L HA 0.501 4.841 4.340 -0.000 0.000 0.286 41 L C -0.258 176.780 176.870 0.280 0.000 1.023 41 L CA -0.929 54.026 54.840 0.192 0.000 0.812 41 L CB 1.136 43.255 42.059 0.100 0.000 1.223 41 L HN 0.530 nan 8.230 nan 0.000 0.421 42 L N 2.497 123.898 121.223 0.296 0.000 2.341 42 L HA 0.875 5.215 4.340 -0.000 0.000 0.267 42 L C -0.354 176.673 176.870 0.261 0.000 1.009 42 L CA -0.568 54.414 54.840 0.237 0.000 0.819 42 L CB 2.426 44.558 42.059 0.121 0.000 1.323 42 L HN 0.673 nan 8.230 nan 0.000 0.425 43 T N -0.124 114.557 114.554 0.212 0.000 3.012 43 T HA 0.718 5.068 4.350 -0.000 0.000 0.330 43 T C -0.760 174.007 174.700 0.112 0.000 1.321 43 T CA -0.695 61.486 62.100 0.135 0.000 1.067 43 T CB 1.944 70.899 68.868 0.145 0.000 1.235 43 T HN 0.680 nan 8.240 nan 0.000 0.479 44 I N -1.202 119.410 120.570 0.070 0.000 3.074 44 I HA 0.988 5.158 4.170 -0.000 0.000 0.310 44 I C -0.157 175.998 176.117 0.063 0.000 1.153 44 I CA -1.034 60.309 61.300 0.071 0.000 0.993 44 I CB 1.919 39.944 38.000 0.041 0.000 1.237 44 I HN 1.244 nan 8.210 nan 0.000 0.443 45 G N 1.359 110.204 108.800 0.076 0.000 2.343 45 G HA2 0.176 4.136 3.960 -0.000 0.000 0.289 45 G HA3 0.176 4.136 3.960 -0.000 0.000 0.289 45 G C -2.151 172.805 174.900 0.093 0.000 1.295 45 G CA -0.924 44.218 45.100 0.069 0.000 0.869 45 G HN 1.119 nan 8.290 nan 0.000 0.522 46 H N 2.042 121.115 119.070 0.005 0.000 2.723 46 H HA 0.497 5.053 4.556 -0.000 0.000 0.294 46 H C -0.991 174.327 175.328 -0.017 0.000 1.079 46 H CA -1.174 54.890 56.048 0.026 0.000 1.411 46 H CB 1.889 31.617 29.762 -0.056 0.000 1.439 46 H HN 0.185 nan 8.280 nan 0.000 0.474 47 P HA -0.208 nan 4.420 nan 0.000 0.217 47 P C 0.780 177.918 177.300 -0.270 0.000 1.150 47 P CA 1.389 64.269 63.100 -0.366 0.000 0.832 47 P CB 0.165 31.505 31.700 -0.600 0.000 0.787 48 Y N 0.024 120.122 120.300 -0.336 0.000 2.145 48 Y HA -0.109 4.441 4.550 -0.000 0.000 0.286 48 Y C 1.315 177.370 175.900 0.260 0.000 1.145 48 Y CA 1.321 59.422 58.100 0.003 0.000 1.148 48 Y CB -0.699 37.828 38.460 0.112 0.000 0.981 48 Y HN 0.082 nan 8.280 nan 0.000 0.507 49 Y N -4.272 116.327 120.300 0.498 0.000 2.624 49 Y HA 0.516 5.066 4.550 -0.000 0.000 0.334 49 Y C -3.310 172.737 175.900 0.245 0.000 1.155 49 Y CA -3.757 54.513 58.100 0.283 0.000 1.046 49 Y CB 0.423 39.005 38.460 0.202 0.000 1.316 49 Y HN -0.374 nan 8.280 nan 0.000 0.457 50 P HA 0.084 nan 4.420 nan 0.000 0.267 50 P C -0.418 176.984 177.300 0.170 0.000 1.209 50 P CA 0.246 63.446 63.100 0.167 0.000 0.763 50 P CB 1.714 33.495 31.700 0.136 0.000 0.816 51 V N 2.885 122.832 119.914 0.054 0.000 2.973 51 V HA 0.484 4.604 4.120 -0.000 0.000 0.314 51 V C 0.685 176.792 176.094 0.021 0.000 1.066 51 V CA -0.230 62.079 62.300 0.014 0.000 1.021 51 V CB 1.654 33.416 31.823 -0.100 0.000 1.076 51 V HN 0.637 nan 8.190 nan 0.000 0.462 52 S N 2.250 117.958 115.700 0.014 0.000 2.775 52 S HA 0.561 5.031 4.470 -0.000 0.000 0.277 52 S C -0.901 173.698 174.600 -0.002 0.000 1.156 52 S CA -0.576 57.629 58.200 0.009 0.000 1.081 52 S CB 0.449 63.661 63.200 0.021 0.000 1.054 52 S HN 0.655 nan 8.310 nan 0.000 0.482 53 I N 2.448 123.010 120.570 -0.013 0.000 2.362 53 I HA 0.897 5.067 4.170 -0.000 0.000 0.289 53 I C 0.815 176.929 176.117 -0.005 0.000 0.994 53 I CA 0.031 61.324 61.300 -0.012 0.000 1.158 53 I CB 0.943 38.926 38.000 -0.029 0.000 1.315 53 I HN 0.803 nan 8.210 nan 0.000 0.451 54 G N 5.034 113.834 108.800 0.001 0.000 2.561 54 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.289 54 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.289 54 G C 0.496 175.397 174.900 0.002 0.000 1.169 54 G CA 0.541 45.642 45.100 0.002 0.000 0.980 54 G HN 1.628 nan 8.290 nan 0.000 0.550 55 A N -0.039 122.782 122.820 0.001 0.000 2.564 55 A HA 0.647 4.967 4.320 -0.000 0.000 0.279 55 A C 0.703 178.287 177.584 0.000 0.000 1.232 55 A CA 1.035 53.072 52.037 0.001 0.000 0.950 55 A CB 0.212 19.213 19.000 0.001 0.000 1.138 55 A HN 0.578 nan 8.150 nan 0.000 0.526 56 K N -0.301 120.099 120.400 -0.001 0.000 2.313 56 K HA 0.648 4.968 4.320 -0.000 0.000 0.235 56 K C 0.068 176.666 176.600 -0.002 0.000 1.035 56 K CA -0.352 55.934 56.287 -0.003 0.000 0.868 56 K CB 1.547 34.044 32.500 -0.005 0.000 1.232 56 K HN 0.255 nan 8.250 nan 0.000 0.459 57 T N -3.151 111.401 114.554 -0.002 0.000 2.841 57 T HA 0.648 4.998 4.350 -0.000 0.000 0.276 57 T C -0.677 174.021 174.700 -0.004 0.000 1.003 57 T CA -0.768 61.333 62.100 0.002 0.000 0.995 57 T CB 1.122 69.995 68.868 0.008 0.000 1.260 57 T HN 0.172 nan 8.240 nan 0.000 0.581 58 V N 2.327 122.243 119.914 0.003 0.000 2.568 58 V HA 0.377 4.497 4.120 -0.000 0.000 0.276 58 V C -2.581 173.526 176.094 0.022 0.000 1.002 58 V CA -1.609 60.693 62.300 0.003 0.000 0.879 58 V CB 1.173 32.992 31.823 -0.007 0.000 1.040 58 V HN 0.901 nan 8.190 nan 0.000 0.457 59 P HA -0.021 nan 4.420 nan 0.000 0.261 59 P C -0.349 176.975 177.300 0.041 0.000 1.173 59 P CA -0.043 63.069 63.100 0.019 0.000 0.760 59 P CB 0.559 32.252 31.700 -0.011 0.000 0.783 60 K N 2.865 123.299 120.400 0.057 0.000 2.167 60 K HA 0.267 4.587 4.320 -0.000 0.000 0.275 60 K C -0.735 175.875 176.600 0.017 0.000 1.103 60 K CA -0.366 55.960 56.287 0.065 0.000 0.963 60 K CB -0.362 32.208 32.500 0.117 0.000 1.243 60 K HN 0.082 nan 8.250 nan 0.000 0.407 61 V N 3.602 123.515 119.914 -0.001 0.000 2.339 61 V HA 0.164 4.284 4.120 -0.000 0.000 0.261 61 V C 0.129 176.134 176.094 -0.148 0.000 1.058 61 V CA -0.398 61.898 62.300 -0.007 0.000 0.897 61 V CB 0.423 32.289 31.823 0.071 0.000 1.052 61 V HN 0.885 nan 8.190 nan 0.000 0.480 62 S N 4.087 119.679 115.700 -0.181 0.000 2.745 62 S HA 0.725 5.195 4.470 -0.000 0.000 0.292 62 S C 1.099 175.526 174.600 -0.288 0.000 1.133 62 S CA 0.129 58.110 58.200 -0.364 0.000 0.998 62 S CB 1.923 64.968 63.200 -0.259 0.000 1.087 62 S HN 0.803 nan 8.310 nan 0.000 0.551 63 A N 1.302 123.924 122.820 -0.329 0.000 2.308 63 A HA 0.347 4.667 4.320 -0.000 0.000 0.217 63 A C 0.496 178.024 177.584 -0.093 0.000 1.216 63 A CA -0.189 51.790 52.037 -0.097 0.000 0.864 63 A CB -0.415 18.577 19.000 -0.014 0.000 0.902 63 A HN 0.795 nan 8.150 nan 0.000 0.499 64 N N 1.350 119.967 118.700 -0.138 0.000 2.818 64 N HA 0.208 4.948 4.740 -0.000 0.000 0.301 64 N C -1.319 174.097 175.510 -0.156 0.000 1.821 64 N CA -0.000 52.961 53.050 -0.149 0.000 0.930 64 N CB 0.663 39.074 38.487 -0.126 0.000 1.263 64 N HN 0.483 nan 8.380 nan 0.000 0.487 65 Q N 0.751 120.454 119.800 -0.162 0.000 2.284 65 Q HA 0.236 4.576 4.340 -0.000 0.000 0.269 65 Q C -1.269 174.651 176.000 -0.134 0.000 1.026 65 Q CA -0.691 55.055 55.803 -0.096 0.000 0.831 65 Q CB 1.777 30.515 28.738 0.001 0.000 1.322 65 Q HN 0.312 nan 8.270 nan 0.000 0.419 66 Y N 1.743 122.011 120.300 -0.053 0.000 2.730 66 Y HA 0.045 4.595 4.550 -0.000 0.000 0.354 66 Y C 0.503 176.301 175.900 -0.170 0.000 1.139 66 Y CA -0.396 57.641 58.100 -0.106 0.000 1.516 66 Y CB 0.190 38.572 38.460 -0.129 0.000 1.204 66 Y HN 0.164 nan 8.280 nan 0.000 0.520 67 R N 2.844 123.245 120.500 -0.165 0.000 2.404 67 R HA 0.128 4.468 4.340 -0.000 0.000 0.315 67 R C -0.830 175.065 176.300 -0.675 0.000 1.032 67 R CA -0.260 55.588 56.100 -0.420 0.000 0.992 67 R CB 0.142 29.964 30.300 -0.796 0.000 0.959 67 R HN 0.360 nan 8.270 nan 0.000 0.428 68 V N 6.550 126.190 119.914 -0.456 0.000 2.313 68 V HA 0.322 4.442 4.120 -0.000 0.000 0.278 68 V C -0.040 175.831 176.094 -0.372 0.000 1.017 68 V CA -0.555 61.473 62.300 -0.453 0.000 0.823 68 V CB 0.482 32.131 31.823 -0.290 0.000 1.010 68 V HN 0.493 nan 8.190 nan 0.000 0.443 69 F N 3.562 123.409 119.950 -0.172 0.000 2.384 69 F HA 0.466 4.993 4.527 -0.000 0.000 0.338 69 F C 0.580 176.178 175.800 -0.337 0.000 1.103 69 F CA -0.530 57.352 58.000 -0.196 0.000 1.157 69 F CB 1.087 39.921 39.000 -0.276 0.000 1.167 69 F HN 0.268 nan 8.300 nan 0.000 0.529 70 K N 3.876 124.246 120.400 -0.050 0.000 2.389 70 K HA 0.448 4.768 4.320 -0.000 0.000 0.261 70 K C -1.375 175.095 176.600 -0.217 0.000 1.014 70 K CA -0.718 55.345 56.287 -0.375 0.000 0.920 70 K CB 0.547 32.961 32.500 -0.142 0.000 1.149 70 K HN 0.484 nan 8.250 nan 0.000 0.444 71 I N 4.215 124.610 120.570 -0.291 0.000 2.281 71 I HA 0.113 4.283 4.170 -0.000 0.000 0.293 71 I C 0.268 176.237 176.117 -0.246 0.000 1.085 71 I CA 0.007 61.145 61.300 -0.270 0.000 1.257 71 I CB 1.057 38.804 38.000 -0.420 0.000 1.430 71 I HN 0.547 nan 8.210 nan 0.000 0.489 72 Q N 6.019 125.724 119.800 -0.159 0.000 2.279 72 Q HA 0.499 4.839 4.340 -0.000 0.000 0.256 72 Q C -0.841 175.109 176.000 -0.083 0.000 0.937 72 Q CA -0.440 55.305 55.803 -0.097 0.000 0.933 72 Q CB 0.939 29.653 28.738 -0.039 0.000 1.189 72 Q HN 0.592 nan 8.270 nan 0.000 0.417 73 L N 5.001 126.198 121.223 -0.043 0.000 2.431 73 L HA 0.536 4.876 4.340 -0.000 0.000 0.260 73 L C -2.082 174.855 176.870 0.112 0.000 1.098 73 L CA -2.392 52.449 54.840 0.002 0.000 0.800 73 L CB 0.881 42.988 42.059 0.079 0.000 1.210 73 L HN 0.611 nan 8.230 nan 0.000 0.465 74 P HA 0.100 nan 4.420 nan 0.000 0.293 74 P C -1.154 176.327 177.300 0.302 0.000 1.300 74 P CA -0.511 62.759 63.100 0.283 0.000 0.792 74 P CB 0.651 32.553 31.700 0.337 0.000 0.925 75 D N 5.558 126.113 120.400 0.258 0.000 2.487 75 D HA -0.027 4.613 4.640 -0.000 0.000 0.243 75 D C -1.383 174.924 176.300 0.011 0.000 1.154 75 D CA -1.169 52.909 54.000 0.130 0.000 0.876 75 D CB 0.899 41.792 40.800 0.155 0.000 1.161 75 D HN 0.223 nan 8.370 nan 0.000 0.478 76 P HA -0.011 nan 4.420 nan 0.000 0.240 76 P C 0.846 177.986 177.300 -0.267 0.000 1.190 76 P CA 0.363 63.016 63.100 -0.745 0.000 0.781 76 P CB 0.190 31.034 31.700 -1.426 0.000 0.931 77 N N 0.144 118.834 118.700 -0.017 0.000 2.422 77 N HA -0.019 4.721 4.740 -0.000 0.000 0.181 77 N C 1.199 176.834 175.510 0.208 0.000 1.080 77 N CA 0.247 53.380 53.050 0.137 0.000 0.893 77 N CB 0.197 38.809 38.487 0.207 0.000 0.973 77 N HN 0.148 nan 8.380 nan 0.000 0.456 78 Q N -0.326 119.636 119.800 0.270 0.000 2.198 78 Q HA 0.146 4.486 4.340 -0.000 0.000 0.209 78 Q C -0.843 175.268 176.000 0.184 0.000 0.848 78 Q CA -0.216 55.711 55.803 0.206 0.000 0.974 78 Q CB 0.515 29.340 28.738 0.146 0.000 1.115 78 Q HN 0.151 nan 8.270 nan 0.000 0.494 79 F N 0.968 120.931 119.950 0.022 0.000 2.370 79 F HA 0.384 4.911 4.527 -0.000 0.000 0.319 79 F C 0.707 176.517 175.800 0.016 0.000 1.129 79 F CA -1.332 56.682 58.000 0.024 0.000 1.109 79 F CB 0.596 39.609 39.000 0.022 0.000 1.262 79 F HN -0.076 nan 8.300 nan 0.000 0.534 80 A N 3.538 126.425 122.820 0.113 0.000 2.476 80 A HA 0.359 4.679 4.320 -0.000 0.000 0.275 80 A C -0.517 177.120 177.584 0.089 0.000 1.133 80 A CA -0.236 51.841 52.037 0.068 0.000 0.797 80 A CB -1.025 17.997 19.000 0.037 0.000 1.081 80 A HN 0.655 nan 8.150 nan 0.000 0.510 81 L N 4.762 126.007 121.223 0.037 0.000 2.314 81 L HA 0.276 4.616 4.340 -0.000 0.000 0.275 81 L C -1.831 175.044 176.870 0.008 0.000 1.068 81 L CA -1.394 53.452 54.840 0.010 0.000 0.894 81 L CB 0.903 42.928 42.059 -0.057 0.000 1.275 81 L HN 0.492 nan 8.230 nan 0.000 0.432 82 P HA 0.082 nan 4.420 nan 0.000 0.252 82 P C -0.553 176.755 177.300 0.014 0.000 1.265 82 P CA 0.712 63.826 63.100 0.023 0.000 0.775 82 P CB 0.215 31.937 31.700 0.037 0.000 1.128 83 D N -2.278 118.124 120.400 0.004 0.000 2.812 83 D HA 0.264 4.904 4.640 -0.000 0.000 0.318 83 D C 0.930 177.221 176.300 -0.015 0.000 1.234 83 D CA -0.557 53.443 54.000 0.000 0.000 0.989 83 D CB 1.005 41.812 40.800 0.011 0.000 1.442 83 D HN -0.343 nan 8.370 nan 0.000 0.537 84 R N -0.504 119.990 120.500 -0.010 0.000 2.195 84 R HA 0.152 4.492 4.340 -0.000 0.000 0.197 84 R C 1.579 177.871 176.300 -0.013 0.000 0.990 84 R CA 0.566 56.656 56.100 -0.015 0.000 1.048 84 R CB -0.676 29.619 30.300 -0.007 0.000 0.997 84 R HN 0.377 nan 8.270 nan 0.000 0.502 85 T N 1.254 115.808 114.554 -0.000 0.000 3.051 85 T HA 0.038 4.388 4.350 -0.000 0.000 0.269 85 T C 1.020 175.728 174.700 0.012 0.000 1.127 85 T CA 0.320 62.427 62.100 0.012 0.000 1.107 85 T CB -0.020 68.862 68.868 0.022 0.000 0.898 85 T HN -0.141 nan 8.240 nan 0.000 0.517 86 V N 3.763 123.667 119.914 -0.016 0.000 2.843 86 V HA 0.016 4.136 4.120 -0.000 0.000 0.305 86 V C 0.975 177.010 176.094 -0.099 0.000 1.065 86 V CA -0.945 61.323 62.300 -0.053 0.000 1.116 86 V CB 0.160 31.910 31.823 -0.121 0.000 0.968 86 V HN 0.630 nan 8.190 nan 0.000 0.487 87 H N 3.428 122.498 119.070 0.000 0.000 3.064 87 H HA -0.011 4.545 4.556 -0.000 0.000 0.329 87 H C 0.277 175.596 175.328 -0.016 0.000 1.020 87 H CA -0.022 56.020 56.048 -0.011 0.000 1.402 87 H CB -0.041 29.708 29.762 -0.021 0.000 1.379 87 H HN 0.770 nan 8.280 nan 0.000 0.594 88 N N 3.434 122.172 118.700 0.063 0.000 2.441 88 N HA -0.045 4.695 4.740 -0.000 0.000 0.251 88 N C -1.432 174.105 175.510 0.044 0.000 1.242 88 N CA -1.364 51.695 53.050 0.015 0.000 0.898 88 N CB 0.789 39.286 38.487 0.017 0.000 1.100 88 N HN 0.416 nan 8.380 nan 0.000 0.443 89 P HA -0.062 nan 4.420 nan 0.000 0.216 89 P C 0.263 177.567 177.300 0.007 0.000 1.150 89 P CA 1.317 64.423 63.100 0.009 0.000 0.837 89 P CB 0.318 32.009 31.700 -0.015 0.000 0.786 90 S N -1.787 113.905 115.700 -0.012 0.000 2.512 90 S HA 0.142 4.612 4.470 -0.000 0.000 0.216 90 S C 1.454 176.019 174.600 -0.058 0.000 1.006 90 S CA -0.052 58.123 58.200 -0.042 0.000 0.915 90 S CB -0.050 63.126 63.200 -0.040 0.000 0.824 90 S HN 0.181 nan 8.310 nan 0.000 0.497 91 K N 1.424 121.805 120.400 -0.031 0.000 2.057 91 K HA -0.017 4.303 4.320 -0.000 0.000 0.206 91 K C 0.830 177.384 176.600 -0.076 0.000 1.050 91 K CA 1.053 57.317 56.287 -0.038 0.000 0.935 91 K CB 0.109 32.606 32.500 -0.005 0.000 0.715 91 K HN 0.451 nan 8.250 nan 0.000 0.439 92 E N -0.176 119.971 120.200 -0.087 0.000 2.437 92 E HA 0.302 4.652 4.350 -0.000 0.000 0.280 92 E C -1.142 175.265 176.600 -0.322 0.000 1.044 92 E CA -0.909 55.380 56.400 -0.185 0.000 0.826 92 E CB 1.337 30.967 29.700 -0.117 0.000 1.358 92 E HN -0.202 nan 8.360 nan 0.000 0.459 93 R N 0.703 120.950 120.500 -0.422 0.000 2.750 93 R HA 0.593 4.933 4.340 -0.000 0.000 0.281 93 R C -0.230 175.941 176.300 -0.215 0.000 0.972 93 R CA -0.899 54.950 56.100 -0.417 0.000 0.912 93 R CB 1.367 31.276 30.300 -0.651 0.000 1.187 93 R HN 0.548 nan 8.270 nan 0.000 0.464 94 L N 1.812 122.865 121.223 -0.284 0.000 2.379 94 L HA 0.664 5.004 4.340 -0.000 0.000 0.269 94 L C 0.655 177.434 176.870 -0.152 0.000 1.084 94 L CA -0.831 53.864 54.840 -0.242 0.000 0.802 94 L CB 1.365 43.232 42.059 -0.319 0.000 1.175 94 L HN 0.440 nan 8.230 nan 0.000 0.448 95 V N -2.406 117.339 119.914 -0.282 0.000 3.065 95 V HA 0.553 4.673 4.120 -0.000 0.000 0.312 95 V C -1.674 174.113 176.094 -0.512 0.000 1.412 95 V CA -1.097 60.989 62.300 -0.358 0.000 1.039 95 V CB 1.667 33.415 31.823 -0.125 0.000 1.077 95 V HN 0.766 nan 8.190 nan 0.000 0.473 96 W N -0.470 120.727 121.300 -0.173 0.000 2.706 96 W HA 0.871 5.531 4.660 -0.000 0.000 0.346 96 W C -0.285 176.097 176.519 -0.228 0.000 1.071 96 W CA -0.425 56.797 57.345 -0.205 0.000 1.206 96 W CB 2.347 31.688 29.460 -0.199 0.000 1.413 96 W HN 0.965 nan 8.180 nan 0.000 0.542 97 A N 1.946 124.842 122.820 0.127 0.000 2.402 97 A HA 0.607 4.927 4.320 -0.000 0.000 0.291 97 A C -0.842 176.704 177.584 -0.063 0.000 1.051 97 A CA -0.730 51.262 52.037 -0.074 0.000 0.716 97 A CB 0.393 19.313 19.000 -0.132 0.000 1.223 97 A HN 0.576 nan 8.150 nan 0.000 0.425 98 V N 1.441 121.313 119.914 -0.071 0.000 2.686 98 V HA 0.486 4.606 4.120 -0.000 0.000 0.295 98 V C 0.705 176.794 176.094 -0.009 0.000 1.055 98 V CA 0.036 62.349 62.300 0.022 0.000 1.050 98 V CB 0.468 32.400 31.823 0.181 0.000 0.984 98 V HN 0.797 nan 8.190 nan 0.000 0.482 99 I N 1.995 122.606 120.570 0.068 0.000 4.197 99 I HA 0.471 4.641 4.170 -0.000 0.000 0.307 99 I C 1.182 177.416 176.117 0.195 0.000 1.236 99 I CA 0.762 62.113 61.300 0.085 0.000 1.321 99 I CB 0.649 38.771 38.000 0.204 0.000 1.309 99 I HN 0.819 nan 8.210 nan 0.000 0.450 100 G N 1.041 109.983 108.800 0.238 0.000 2.638 100 G HA2 0.657 4.617 3.960 -0.000 0.000 0.302 100 G HA3 0.657 4.617 3.960 -0.000 0.000 0.302 100 G C -1.539 173.305 174.900 -0.092 0.000 1.365 100 G CA -0.289 44.868 45.100 0.095 0.000 0.987 100 G HN -0.183 nan 8.290 nan 0.000 0.495 101 V N 1.173 120.939 119.914 -0.248 0.000 2.760 101 V HA 0.629 4.749 4.120 -0.000 0.000 0.309 101 V C -0.577 175.324 176.094 -0.322 0.000 1.077 101 V CA -0.775 61.327 62.300 -0.329 0.000 0.910 101 V CB 1.997 33.773 31.823 -0.079 0.000 1.008 101 V HN 0.769 nan 8.190 nan 0.000 0.424 102 Q N 2.962 122.539 119.800 -0.372 0.000 2.444 102 Q HA 0.437 4.777 4.340 -0.000 0.000 0.251 102 Q C -1.853 174.052 176.000 -0.157 0.000 0.939 102 Q CA -0.271 55.377 55.803 -0.257 0.000 0.740 102 Q CB 2.224 30.802 28.738 -0.266 0.000 1.308 102 Q HN 0.646 nan 8.270 nan 0.000 0.461 103 V N 2.442 122.358 119.914 0.003 0.000 2.455 103 V HA 0.241 4.361 4.120 -0.000 0.000 0.273 103 V C 0.245 176.452 176.094 0.189 0.000 1.045 103 V CA 0.020 62.402 62.300 0.137 0.000 0.976 103 V CB 1.324 33.364 31.823 0.362 0.000 0.993 103 V HN 0.615 nan 8.190 nan 0.000 0.475 104 S N 5.836 121.586 115.700 0.083 0.000 2.437 104 S HA 0.532 5.002 4.470 -0.000 0.000 0.305 104 S C -0.217 174.367 174.600 -0.028 0.000 1.109 104 S CA -0.845 57.379 58.200 0.040 0.000 1.099 104 S CB 0.446 63.646 63.200 0.000 0.000 1.004 104 S HN 0.691 nan 8.310 nan 0.000 0.475 105 R N 3.165 123.597 120.500 -0.112 0.000 2.275 105 R HA 0.353 4.693 4.340 -0.000 0.000 0.326 105 R C 0.109 176.283 176.300 -0.211 0.000 0.973 105 R CA -0.444 55.488 56.100 -0.279 0.000 0.854 105 R CB 1.379 31.396 30.300 -0.471 0.000 1.156 105 R HN 0.676 nan 8.270 nan 0.000 0.487 106 G N 2.922 111.598 108.800 -0.207 0.000 2.607 106 G HA2 0.327 4.287 3.960 -0.000 0.000 0.332 106 G HA3 0.327 4.287 3.960 -0.000 0.000 0.332 106 G C -0.350 174.456 174.900 -0.157 0.000 1.046 106 G CA -0.075 44.938 45.100 -0.145 0.000 1.099 106 G HN 0.305 nan 8.290 nan 0.000 0.451 107 Q N 0.694 120.409 119.800 -0.143 0.000 2.776 107 Q HA 0.276 4.616 4.340 -0.000 0.000 0.289 107 Q C -2.868 173.070 176.000 -0.104 0.000 0.912 107 Q CA -1.112 54.610 55.803 -0.136 0.000 0.789 107 Q CB 2.008 30.637 28.738 -0.182 0.000 1.498 107 Q HN 0.332 nan 8.270 nan 0.000 0.408 108 P HA 0.251 nan 4.420 nan 0.000 0.276 108 P C -0.372 176.892 177.300 -0.059 0.000 1.235 108 P CA -0.642 62.420 63.100 -0.063 0.000 0.772 108 P CB 0.352 32.020 31.700 -0.055 0.000 0.871 109 L N 2.756 123.955 121.223 -0.040 0.000 2.482 109 L HA 0.532 4.872 4.340 -0.000 0.000 0.273 109 L C 0.710 177.570 176.870 -0.017 0.000 1.228 109 L CA 1.436 56.261 54.840 -0.026 0.000 0.827 109 L CB -0.324 41.730 42.059 -0.009 0.000 1.099 109 L HN 0.731 nan 8.230 nan 0.000 0.494 110 G N 1.312 110.109 108.800 -0.005 0.000 2.313 110 G HA2 0.470 4.430 3.960 -0.000 0.000 0.296 110 G HA3 0.470 4.430 3.960 -0.000 0.000 0.296 110 G C -1.092 173.819 174.900 0.019 0.000 1.356 110 G CA -0.411 44.693 45.100 0.007 0.000 0.833 110 G HN 0.915 nan 8.290 nan 0.000 0.552 111 G N -0.857 107.961 108.800 0.030 0.000 2.410 111 G HA2 0.590 4.550 3.960 -0.000 0.000 0.330 111 G HA3 0.590 4.550 3.960 -0.000 0.000 0.330 111 G C -0.326 174.599 174.900 0.043 0.000 1.142 111 G CA -0.129 44.995 45.100 0.040 0.000 0.902 111 G HN 0.650 nan 8.290 nan 0.000 0.491 112 T N 0.695 115.272 114.554 0.040 0.000 2.799 112 T HA 0.503 4.853 4.350 -0.000 0.000 0.286 112 T C 0.032 174.753 174.700 0.035 0.000 0.973 112 T CA -0.159 61.962 62.100 0.034 0.000 1.035 112 T CB 1.462 70.336 68.868 0.010 0.000 0.932 112 T HN 0.285 nan 8.240 nan 0.000 0.469 113 V N 2.327 122.268 119.914 0.045 0.000 2.960 113 V HA 0.875 4.995 4.120 -0.000 0.000 0.315 113 V C 0.159 176.285 176.094 0.053 0.000 1.087 113 V CA -0.706 61.632 62.300 0.064 0.000 0.982 113 V CB 2.283 34.164 31.823 0.097 0.000 1.039 113 V HN 0.945 nan 8.190 nan 0.000 0.437 114 T N 1.036 115.640 114.554 0.084 0.000 2.932 114 T HA 0.773 5.123 4.350 -0.000 0.000 0.318 114 T C -0.316 174.501 174.700 0.194 0.000 1.265 114 T CA 0.376 62.551 62.100 0.124 0.000 1.036 114 T CB 1.693 70.585 68.868 0.040 0.000 1.209 114 T HN 1.189 nan 8.240 nan 0.000 0.484 115 G N 1.740 110.722 108.800 0.303 0.000 2.976 115 G HA2 0.663 4.623 3.960 -0.000 0.000 0.276 115 G HA3 0.663 4.623 3.960 -0.000 0.000 0.276 115 G C -1.544 173.541 174.900 0.309 0.000 1.207 115 G CA -0.362 44.873 45.100 0.225 0.000 0.803 115 G HN 0.943 nan 8.290 nan 0.000 0.572 116 H N -0.169 118.973 119.070 0.119 0.000 3.140 116 H HA 0.241 4.797 4.556 -0.000 0.000 0.336 116 H C -2.112 173.272 175.328 0.094 0.000 1.142 116 H CA -0.718 55.414 56.048 0.140 0.000 1.308 116 H CB 2.775 32.696 29.762 0.265 0.000 1.970 116 H HN 0.289 nan 8.280 nan 0.000 0.521 117 P HA -0.118 nan 4.420 nan 0.000 0.213 117 P C 0.487 177.867 177.300 0.133 0.000 1.170 117 P CA 1.624 64.650 63.100 -0.123 0.000 0.902 117 P CB 0.112 31.659 31.700 -0.256 0.000 0.789 118 T N -3.533 111.245 114.554 0.375 0.000 3.064 118 T HA 0.470 4.820 4.350 -0.000 0.000 0.367 118 T C -0.636 174.280 174.700 0.360 0.000 1.202 118 T CA -0.895 61.414 62.100 0.349 0.000 1.133 118 T CB -0.464 68.513 68.868 0.182 0.000 1.074 118 T HN -0.190 nan 8.240 nan 0.000 0.519 119 F N 3.016 123.028 119.950 0.105 0.000 2.368 119 F HA 0.599 5.126 4.527 -0.000 0.000 0.315 119 F C 0.540 176.295 175.800 -0.074 0.000 1.145 119 F CA -1.011 56.942 58.000 -0.078 0.000 1.095 119 F CB 1.210 40.198 39.000 -0.020 0.000 1.286 119 F HN 0.608 nan 8.300 nan 0.000 0.530 120 N N 2.299 120.558 118.700 -0.736 0.000 2.817 120 N HA 0.498 5.238 4.740 -0.000 0.000 0.234 120 N C -1.883 173.511 175.510 -0.194 0.000 1.066 120 N CA -0.171 52.631 53.050 -0.414 0.000 0.926 120 N CB 0.467 38.676 38.487 -0.463 0.000 1.176 120 N HN 0.684 nan 8.380 nan 0.000 0.506 121 A N 3.759 126.580 122.820 0.002 0.000 2.457 121 A HA 0.373 4.693 4.320 -0.000 0.000 0.283 121 A C 0.687 178.252 177.584 -0.032 0.000 1.166 121 A CA -0.594 51.484 52.037 0.068 0.000 0.740 121 A CB 0.334 19.326 19.000 -0.014 0.000 1.181 121 A HN 0.579 nan 8.150 nan 0.000 0.446 122 L N 1.584 122.804 121.223 -0.005 0.000 2.056 122 L HA 0.113 4.453 4.340 -0.000 0.000 0.207 122 L C 0.277 177.131 176.870 -0.026 0.000 1.078 122 L CA 1.343 56.169 54.840 -0.023 0.000 0.749 122 L CB -0.309 41.741 42.059 -0.015 0.000 0.901 122 L HN 0.612 nan 8.230 nan 0.000 0.433 123 L N -1.892 119.330 121.223 -0.001 0.000 2.838 123 L HA 0.312 4.652 4.340 -0.000 0.000 0.266 123 L C -1.849 175.067 176.870 0.078 0.000 1.040 123 L CA -0.988 53.860 54.840 0.014 0.000 0.906 123 L CB 2.059 44.135 42.059 0.029 0.000 1.501 123 L HN -0.018 nan 8.230 nan 0.000 0.407 124 D N -0.002 120.453 120.400 0.092 0.000 2.758 124 D HA 0.506 5.146 4.640 -0.000 0.000 0.279 124 D C -0.411 175.957 176.300 0.113 0.000 1.111 124 D CA -0.636 53.470 54.000 0.176 0.000 1.109 124 D CB 1.577 42.517 40.800 0.233 0.000 1.428 124 D HN 0.553 nan 8.370 nan 0.000 0.586 125 A N -0.259 122.626 122.820 0.108 0.000 3.063 125 A HA 0.388 4.708 4.320 -0.000 0.000 0.263 125 A C -0.067 177.550 177.584 0.055 0.000 1.736 125 A CA -0.082 51.986 52.037 0.052 0.000 1.408 125 A CB -1.081 17.933 19.000 0.024 0.000 1.108 125 A HN 0.406 nan 8.150 nan 0.000 0.621 126 E N 0.171 120.401 120.200 0.050 0.000 2.222 126 E HA 0.446 4.796 4.350 -0.000 0.000 0.267 126 E C 0.131 176.748 176.600 0.029 0.000 0.884 126 E CA -0.604 55.822 56.400 0.043 0.000 0.764 126 E CB 0.925 30.653 29.700 0.046 0.000 1.169 126 E HN 0.248 nan 8.360 nan 0.000 0.413 127 N N 2.447 121.162 118.700 0.025 0.000 2.405 127 N HA 0.028 4.768 4.740 -0.000 0.000 0.175 127 N C 0.606 176.127 175.510 0.018 0.000 1.051 127 N CA 0.570 53.632 53.050 0.019 0.000 0.899 127 N CB 0.519 39.016 38.487 0.016 0.000 1.000 127 N HN 0.287 nan 8.380 nan 0.000 0.451 128 V N 1.587 121.513 119.914 0.020 0.000 3.542 128 V HA 0.083 4.203 4.120 -0.000 0.000 0.296 128 V C 0.081 176.185 176.094 0.016 0.000 1.364 128 V CA -0.326 61.984 62.300 0.017 0.000 1.118 128 V CB -1.058 30.775 31.823 0.017 0.000 0.972 128 V HN 0.342 nan 8.190 nan 0.000 0.430 129 N N 1.886 120.597 118.700 0.018 0.000 2.530 129 N HA 0.054 4.794 4.740 -0.000 0.000 0.273 129 N C 0.217 175.735 175.510 0.012 0.000 1.173 129 N CA -0.343 52.716 53.050 0.015 0.000 0.967 129 N CB 0.713 39.210 38.487 0.016 0.000 1.109 129 N HN 0.347 nan 8.380 nan 0.000 0.453 130 R N 0.902 121.407 120.500 0.009 0.000 2.873 130 R HA -0.050 4.290 4.340 -0.000 0.000 0.267 130 R C -0.096 176.209 176.300 0.009 0.000 1.009 130 R CA 0.111 56.215 56.100 0.008 0.000 1.152 130 R CB 0.460 30.763 30.300 0.005 0.000 1.047 130 R HN 0.577 nan 8.270 nan 0.000 0.470 131 K N 1.170 121.576 120.400 0.009 0.000 2.382 131 K HA 0.060 4.380 4.320 -0.000 0.000 0.275 131 K C -0.428 176.175 176.600 0.006 0.000 1.009 131 K CA -0.376 55.917 56.287 0.009 0.000 0.970 131 K CB 0.854 33.361 32.500 0.011 0.000 0.934 131 K HN 0.295 nan 8.250 nan 0.000 0.479 132 V N 3.797 123.715 119.914 0.006 0.000 2.452 132 V HA -0.075 4.045 4.120 -0.000 0.000 0.286 132 V C 0.419 176.511 176.094 -0.004 0.000 0.995 132 V CA 0.429 62.729 62.300 0.001 0.000 1.116 132 V CB -0.321 31.503 31.823 0.002 0.000 0.954 132 V HN 0.733 nan 8.190 nan 0.000 0.473 133 T N 4.569 119.120 114.554 -0.006 0.000 2.919 133 T HA 0.139 4.489 4.350 -0.000 0.000 0.302 133 T C 0.722 175.414 174.700 -0.013 0.000 1.031 133 T CA -0.312 61.783 62.100 -0.008 0.000 1.127 133 T CB 0.468 69.331 68.868 -0.009 0.000 0.952 133 T HN 0.787 nan 8.240 nan 0.000 0.540 134 T N 3.996 118.542 114.554 -0.013 0.000 2.939 134 T HA -0.012 4.338 4.350 -0.000 0.000 0.319 134 T C 0.713 175.401 174.700 -0.020 0.000 1.082 134 T CA -0.029 62.061 62.100 -0.017 0.000 1.133 134 T CB 0.123 68.982 68.868 -0.016 0.000 1.019 134 T HN 0.502 nan 8.240 nan 0.000 0.548 135 Q N 2.002 121.787 119.800 -0.025 0.000 2.274 135 Q HA 0.143 4.483 4.340 -0.000 0.000 0.280 135 Q C 0.709 176.695 176.000 -0.025 0.000 1.047 135 Q CA 0.071 55.858 55.803 -0.027 0.000 0.907 135 Q CB 0.177 28.895 28.738 -0.034 0.000 1.171 135 Q HN 0.575 nan 8.270 nan 0.000 0.381 136 T N 1.273 115.813 114.554 -0.024 0.000 2.771 136 T HA 0.021 4.371 4.350 -0.000 0.000 0.290 136 T C 1.506 176.192 174.700 -0.024 0.000 1.005 136 T CA -0.386 61.701 62.100 -0.021 0.000 0.944 136 T CB 0.567 69.424 68.868 -0.019 0.000 1.147 136 T HN 0.596 nan 8.240 nan 0.000 0.534 137 T N 1.040 115.582 114.554 -0.021 0.000 2.759 137 T HA -0.065 4.285 4.350 -0.000 0.000 0.269 137 T C 0.596 175.280 174.700 -0.026 0.000 1.042 137 T CA 1.291 63.377 62.100 -0.022 0.000 1.140 137 T CB -0.082 68.775 68.868 -0.019 0.000 0.864 137 T HN 0.494 nan 8.240 nan 0.000 0.455 138 D N -0.305 120.081 120.400 -0.024 0.000 2.732 138 D HA 0.243 4.883 4.640 -0.000 0.000 0.229 138 D C -0.900 175.385 176.300 -0.026 0.000 1.152 138 D CA -0.561 53.423 54.000 -0.026 0.000 0.854 138 D CB 1.754 42.542 40.800 -0.019 0.000 1.590 138 D HN 0.003 nan 8.370 nan 0.000 0.468 139 D N 1.277 121.658 120.400 -0.031 0.000 2.516 139 D HA 0.079 4.719 4.640 -0.000 0.000 0.241 139 D C 0.404 176.685 176.300 -0.031 0.000 1.246 139 D CA -0.235 53.745 54.000 -0.033 0.000 0.808 139 D CB 1.050 41.827 40.800 -0.038 0.000 1.147 139 D HN 0.139 nan 8.370 nan 0.000 0.527 140 R N 1.514 122.000 120.500 -0.024 0.000 2.811 140 R HA 0.319 4.659 4.340 -0.000 0.000 0.265 140 R C 0.519 176.826 176.300 0.013 0.000 1.026 140 R CA 0.569 56.668 56.100 -0.002 0.000 1.142 140 R CB 0.672 30.980 30.300 0.014 0.000 1.027 140 R HN -0.033 nan 8.270 nan 0.000 0.465 141 K N 0.586 121.012 120.400 0.042 0.000 2.533 141 K HA 0.169 4.489 4.320 -0.000 0.000 0.284 141 K C -1.177 175.461 176.600 0.062 0.000 1.025 141 K CA -1.048 55.253 56.287 0.023 0.000 0.900 141 K CB 1.359 33.842 32.500 -0.029 0.000 1.519 141 K HN 0.395 nan 8.250 nan 0.000 0.432 142 Q N 1.216 121.036 119.800 0.034 0.000 2.286 142 Q HA 0.200 4.540 4.340 -0.000 0.000 0.257 142 Q C -1.035 174.977 176.000 0.020 0.000 0.941 142 Q CA 0.360 56.193 55.803 0.050 0.000 0.912 142 Q CB 1.027 29.781 28.738 0.026 0.000 1.192 142 Q HN 0.405 nan 8.270 nan 0.000 0.410 143 T N 2.365 116.944 114.554 0.042 0.000 2.812 143 T HA 0.507 4.857 4.350 -0.000 0.000 0.282 143 T C -0.258 174.440 174.700 -0.003 0.000 0.990 143 T CA -0.617 61.450 62.100 -0.055 0.000 0.960 143 T CB 1.443 70.177 68.868 -0.224 0.000 0.948 143 T HN 0.692 nan 8.240 nan 0.000 0.438 144 G N 1.657 110.471 108.800 0.024 0.000 2.400 144 G HA2 0.638 4.598 3.960 -0.000 0.000 0.301 144 G HA3 0.638 4.598 3.960 -0.000 0.000 0.301 144 G C -1.321 173.663 174.900 0.140 0.000 1.154 144 G CA -0.421 44.734 45.100 0.091 0.000 0.852 144 G HN 0.607 nan 8.290 nan 0.000 0.511 145 L N 2.088 123.394 121.223 0.137 0.000 2.680 145 L HA 0.287 4.627 4.340 -0.000 0.000 0.260 145 L C -0.779 176.151 176.870 0.100 0.000 0.975 145 L CA -0.918 54.013 54.840 0.151 0.000 0.920 145 L CB 1.580 43.714 42.059 0.124 0.000 1.234 145 L HN 0.692 nan 8.230 nan 0.000 0.429 146 D N 3.810 124.263 120.400 0.089 0.000 2.389 146 D HA 0.372 5.012 4.640 -0.000 0.000 0.247 146 D C 0.376 176.692 176.300 0.028 0.000 1.128 146 D CA 0.041 54.076 54.000 0.059 0.000 0.884 146 D CB 1.726 42.562 40.800 0.060 0.000 1.194 146 D HN 0.710 nan 8.370 nan 0.000 0.441 147 A N 2.817 125.649 122.820 0.019 0.000 2.536 147 A HA 0.038 4.358 4.320 -0.000 0.000 0.234 147 A C 0.744 178.334 177.584 0.010 0.000 1.076 147 A CA -0.231 51.804 52.037 -0.003 0.000 0.769 147 A CB 0.167 19.164 19.000 -0.006 0.000 1.020 147 A HN 0.640 nan 8.150 nan 0.000 0.508 148 K N 2.168 122.571 120.400 0.004 0.000 2.229 148 K HA 0.102 4.422 4.320 -0.000 0.000 0.247 148 K C 0.051 176.686 176.600 0.057 0.000 1.117 148 K CA -0.094 56.213 56.287 0.033 0.000 1.036 148 K CB -0.099 32.418 32.500 0.028 0.000 1.654 148 K HN 0.830 nan 8.250 nan 0.000 0.405 149 Q N 2.868 122.709 119.800 0.069 0.000 2.304 149 Q HA -0.128 4.212 4.340 -0.000 0.000 0.315 149 Q C -0.920 175.132 176.000 0.086 0.000 1.075 149 Q CA 1.087 56.933 55.803 0.071 0.000 0.988 149 Q CB 0.537 29.321 28.738 0.076 0.000 1.146 149 Q HN 0.683 nan 8.270 nan 0.000 0.383 150 Q N 2.613 122.463 119.800 0.082 0.000 2.575 150 Q HA 0.333 4.673 4.340 -0.000 0.000 0.290 150 Q C -1.946 174.117 176.000 0.105 0.000 0.963 150 Q CA -0.644 55.220 55.803 0.101 0.000 0.783 150 Q CB 1.820 30.628 28.738 0.117 0.000 1.467 150 Q HN 0.725 nan 8.270 nan 0.000 0.402 151 Q N 1.727 121.604 119.800 0.127 0.000 2.284 151 Q HA 0.591 4.931 4.340 -0.000 0.000 0.269 151 Q C -1.287 174.801 176.000 0.147 0.000 1.026 151 Q CA -0.396 55.509 55.803 0.170 0.000 0.831 151 Q CB 2.563 31.433 28.738 0.220 0.000 1.322 151 Q HN 0.530 nan 8.270 nan 0.000 0.419 152 I N 2.896 123.563 120.570 0.161 0.000 2.499 152 I HA 0.469 4.638 4.170 -0.000 0.000 0.288 152 I C -1.490 174.703 176.117 0.126 0.000 1.048 152 I CA -0.982 60.399 61.300 0.135 0.000 1.062 152 I CB 1.886 39.970 38.000 0.139 0.000 1.238 152 I HN 0.388 nan 8.210 nan 0.000 0.426 153 L N 8.709 129.960 121.223 0.045 0.000 2.410 153 L HA 0.782 5.122 4.340 -0.000 0.000 0.270 153 L C -1.574 175.206 176.870 -0.150 0.000 0.983 153 L CA -0.546 54.283 54.840 -0.019 0.000 0.822 153 L CB 1.839 43.860 42.059 -0.064 0.000 1.285 153 L HN 0.518 nan 8.230 nan 0.000 0.409 154 L N 3.481 124.595 121.223 -0.182 0.000 2.588 154 L HA 0.706 5.046 4.340 -0.000 0.000 0.263 154 L C -1.731 174.981 176.870 -0.263 0.000 0.935 154 L CA -0.708 53.945 54.840 -0.312 0.000 0.891 154 L CB 1.647 43.588 42.059 -0.197 0.000 1.318 154 L HN 0.554 nan 8.230 nan 0.000 0.409 155 L N 2.315 123.333 121.223 -0.343 0.000 2.322 155 L HA 1.098 5.438 4.340 -0.000 0.000 0.279 155 L C 0.301 176.876 176.870 -0.492 0.000 1.036 155 L CA 0.641 55.376 54.840 -0.174 0.000 0.807 155 L CB 1.605 43.795 42.059 0.218 0.000 1.226 155 L HN 0.991 nan 8.230 nan 0.000 0.433 156 G N 1.723 110.059 108.800 -0.774 0.000 2.561 156 G HA2 0.237 4.197 3.960 -0.000 0.000 0.310 156 G HA3 0.237 4.197 3.960 -0.000 0.000 0.310 156 G C -0.521 173.863 174.900 -0.861 0.000 1.292 156 G CA 0.185 44.453 45.100 -1.388 0.000 0.811 156 G HN 0.729 nan 8.290 nan 0.000 0.482 157 C N -0.770 118.270 119.300 -0.433 0.000 2.513 157 C HA 0.463 4.923 4.460 -0.000 0.000 0.292 157 C C 1.273 176.249 174.990 -0.024 0.000 1.359 157 C CA 1.638 60.676 59.018 0.032 0.000 1.778 157 C CB -0.527 27.368 27.740 0.259 0.000 2.180 157 C HN 0.730 nan 8.230 nan 0.000 0.509 158 T N 2.925 117.334 114.554 -0.241 0.000 2.925 158 T HA 0.391 4.741 4.350 -0.000 0.000 0.285 158 T C -2.716 171.448 174.700 -0.893 0.000 1.021 158 T CA -0.762 61.023 62.100 -0.524 0.000 1.042 158 T CB 1.391 70.133 68.868 -0.210 0.000 1.037 158 T HN 0.191 nan 8.240 nan 0.000 0.481 159 P HA 0.178 nan 4.420 nan 0.000 0.265 159 P C -0.562 176.466 177.300 -0.454 0.000 1.193 159 P CA -0.251 62.260 63.100 -0.982 0.000 0.765 159 P CB 0.280 31.494 31.700 -0.810 0.000 0.823 160 A N 3.686 126.285 122.820 -0.368 0.000 2.445 160 A HA 0.111 4.431 4.320 -0.000 0.000 0.242 160 A C 0.401 177.798 177.584 -0.311 0.000 1.075 160 A CA -0.086 51.759 52.037 -0.321 0.000 0.777 160 A CB -0.225 18.572 19.000 -0.338 0.000 1.013 160 A HN 0.572 nan 8.150 nan 0.000 0.493 161 E N 0.217 120.224 120.200 -0.322 0.000 2.204 161 E HA 0.528 4.878 4.350 -0.000 0.000 0.276 161 E C 0.276 176.621 176.600 -0.426 0.000 0.974 161 E CA -0.287 55.897 56.400 -0.360 0.000 0.815 161 E CB 1.843 31.353 29.700 -0.316 0.000 1.119 161 E HN 0.802 nan 8.360 nan 0.000 0.393 162 G N 1.641 110.167 108.800 -0.457 0.000 2.600 162 G HA2 0.524 4.484 3.960 -0.000 0.000 0.303 162 G HA3 0.524 4.484 3.960 -0.000 0.000 0.303 162 G C -1.070 173.570 174.900 -0.432 0.000 1.253 162 G CA -0.627 44.199 45.100 -0.456 0.000 0.974 162 G HN 0.565 nan 8.290 nan 0.000 0.483 163 E N -0.966 119.036 120.200 -0.329 0.000 2.336 163 E HA 0.747 5.097 4.350 -0.000 0.000 0.267 163 E C -1.326 175.185 176.600 -0.148 0.000 0.906 163 E CA -1.114 55.121 56.400 -0.275 0.000 0.781 163 E CB 2.459 32.029 29.700 -0.217 0.000 1.261 163 E HN 0.823 nan 8.360 nan 0.000 0.436 164 Y N -2.235 117.831 120.300 -0.390 0.000 2.741 164 Y HA 0.531 5.081 4.550 -0.000 0.000 0.339 164 Y C -1.921 173.671 175.900 -0.513 0.000 1.226 164 Y CA -1.860 56.039 58.100 -0.334 0.000 1.072 164 Y CB 1.099 39.458 38.460 -0.168 0.000 1.331 164 Y HN 0.557 nan 8.280 nan 0.000 0.453 165 W N 1.780 123.072 121.300 -0.015 0.000 2.551 165 W HA 0.673 5.333 4.660 -0.000 0.000 0.330 165 W C -0.272 176.087 176.519 -0.267 0.000 1.063 165 W CA -0.234 57.037 57.345 -0.122 0.000 1.222 165 W CB 2.213 31.669 29.460 -0.006 0.000 1.349 165 W HN 0.750 nan 8.180 nan 0.000 0.536 166 T N -1.814 112.732 114.554 -0.013 0.000 2.696 166 T HA 0.590 4.940 4.350 -0.000 0.000 0.291 166 T C -0.659 174.052 174.700 0.020 0.000 1.095 166 T CA -0.982 61.062 62.100 -0.094 0.000 1.026 166 T CB 1.390 70.090 68.868 -0.279 0.000 1.390 166 T HN 0.107 nan 8.240 nan 0.000 0.513 167 T N 1.773 116.326 114.554 -0.002 0.000 2.744 167 T HA 0.682 5.032 4.350 -0.000 0.000 0.291 167 T C 0.217 174.922 174.700 0.009 0.000 0.957 167 T CA -0.424 61.685 62.100 0.015 0.000 1.002 167 T CB 0.621 69.494 68.868 0.008 0.000 0.919 167 T HN 0.971 nan 8.240 nan 0.000 0.468 168 A N 3.945 126.779 122.820 0.023 0.000 2.331 168 A HA 0.588 4.908 4.320 -0.000 0.000 0.283 168 A C 0.439 178.031 177.584 0.014 0.000 1.142 168 A CA -1.032 51.017 52.037 0.021 0.000 0.812 168 A CB 0.165 19.186 19.000 0.035 0.000 1.074 168 A HN 0.922 nan 8.150 nan 0.000 0.497 169 R N 2.735 123.241 120.500 0.011 0.000 2.566 169 R HA 0.250 4.590 4.340 -0.000 0.000 0.273 169 R C -2.362 173.943 176.300 0.008 0.000 0.981 169 R CA -0.402 55.703 56.100 0.008 0.000 1.091 169 R CB -0.964 29.340 30.300 0.008 0.000 0.924 169 R HN 0.508 nan 8.270 nan 0.000 0.411 170 P HA 0.118 nan 4.420 nan 0.000 0.274 170 P C -0.365 176.937 177.300 0.005 0.000 1.237 170 P CA -0.705 62.398 63.100 0.004 0.000 0.793 170 P CB 0.741 32.442 31.700 0.001 0.000 0.977 171 C N 0.729 120.032 119.300 0.004 0.000 2.656 171 C HA 0.008 4.468 4.460 -0.000 0.000 0.391 171 C C 2.605 177.597 174.990 0.003 0.000 1.300 171 C CA -0.340 58.680 59.018 0.004 0.000 2.302 171 C CB 0.097 27.839 27.740 0.004 0.000 2.655 171 C HN 0.440 nan 8.230 nan 0.000 0.656 172 V N 1.805 121.720 119.914 0.003 0.000 2.407 172 V HA -0.122 3.998 4.120 -0.000 0.000 0.248 172 V C 1.582 177.677 176.094 0.001 0.000 1.055 172 V CA 1.921 64.222 62.300 0.002 0.000 1.049 172 V CB -0.908 30.917 31.823 0.002 0.000 0.662 172 V HN 1.027 nan 8.190 nan 0.000 0.455 173 T N 1.285 115.840 114.554 0.002 0.000 2.867 173 T HA -0.142 4.208 4.350 -0.000 0.000 0.290 173 T C -0.098 174.602 174.700 0.000 0.000 1.025 173 T CA 0.400 62.500 62.100 0.001 0.000 1.146 173 T CB -0.272 68.597 68.868 0.001 0.000 1.024 173 T HN 0.448 nan 8.240 nan 0.000 0.519 174 D N 4.314 124.714 120.400 -0.001 0.000 2.453 174 D HA 0.289 4.929 4.640 -0.000 0.000 0.238 174 D C 0.306 176.605 176.300 -0.002 0.000 1.088 174 D CA -0.638 53.361 54.000 -0.001 0.000 0.854 174 D CB 0.467 41.266 40.800 -0.002 0.000 1.076 174 D HN 0.495 nan 8.370 nan 0.000 0.533 175 R N 3.117 123.615 120.500 -0.003 0.000 2.569 175 R HA 0.237 4.577 4.340 -0.000 0.000 0.422 175 R C 0.244 176.541 176.300 -0.005 0.000 0.980 175 R CA -0.332 55.766 56.100 -0.003 0.000 1.164 175 R CB 0.189 30.487 30.300 -0.003 0.000 1.520 175 R HN 0.410 nan 8.270 nan 0.000 0.567 176 L N 1.147 122.367 121.223 -0.005 0.000 2.473 176 L HA 0.167 4.507 4.340 -0.000 0.000 0.268 176 L C 0.644 177.510 176.870 -0.007 0.000 1.215 176 L CA 0.678 55.514 54.840 -0.006 0.000 0.823 176 L CB 0.336 42.391 42.059 -0.006 0.000 1.099 176 L HN -0.018 nan 8.230 nan 0.000 0.483 177 E N 0.167 120.361 120.200 -0.009 0.000 2.459 177 E HA 0.248 4.598 4.350 -0.000 0.000 0.275 177 E C -0.147 176.446 176.600 -0.012 0.000 0.987 177 E CA -0.881 55.513 56.400 -0.010 0.000 0.828 177 E CB 1.192 30.885 29.700 -0.012 0.000 1.428 177 E HN 0.450 nan 8.360 nan 0.000 0.457 178 N N -0.024 118.668 118.700 -0.013 0.000 2.207 178 N HA -0.035 4.705 4.740 -0.000 0.000 0.182 178 N C 1.382 176.881 175.510 -0.018 0.000 1.020 178 N CA 1.195 54.236 53.050 -0.015 0.000 0.858 178 N CB -0.128 38.350 38.487 -0.015 0.000 0.991 178 N HN 0.555 nan 8.380 nan 0.000 0.427 179 G N -0.485 108.303 108.800 -0.021 0.000 3.141 179 G HA2 0.344 4.304 3.960 -0.000 0.000 0.218 179 G HA3 0.344 4.304 3.960 -0.000 0.000 0.218 179 G C 0.243 175.127 174.900 -0.027 0.000 1.170 179 G CA 0.070 45.154 45.100 -0.026 0.000 0.769 179 G HN 0.406 nan 8.290 nan 0.000 0.546 180 A N -0.180 122.627 122.820 -0.022 0.000 2.511 180 A HA 0.347 4.667 4.320 -0.000 0.000 0.242 180 A C 0.846 178.415 177.584 -0.025 0.000 1.069 180 A CA -0.255 51.769 52.037 -0.022 0.000 0.763 180 A CB -0.080 18.910 19.000 -0.016 0.000 1.001 180 A HN 0.470 nan 8.150 nan 0.000 0.498 181 C N 5.461 124.744 119.300 -0.028 0.000 2.653 181 C HA 0.451 4.911 4.460 -0.000 0.000 0.421 181 C C -1.414 173.559 174.990 -0.028 0.000 1.334 181 C CA -1.376 57.622 59.018 -0.034 0.000 1.885 181 C CB -0.575 27.140 27.740 -0.041 0.000 2.645 181 C HN 0.785 nan 8.230 nan 0.000 0.601 182 P HA 0.372 nan 4.420 nan 0.000 0.275 182 P C -2.661 174.628 177.300 -0.019 0.000 1.228 182 P CA -0.907 62.182 63.100 -0.018 0.000 0.786 182 P CB 0.019 31.710 31.700 -0.015 0.000 0.927 183 P HA 0.386 nan 4.420 nan 0.000 0.276 183 P C -0.502 176.802 177.300 0.008 0.000 1.252 183 P CA -0.225 62.872 63.100 -0.005 0.000 0.802 183 P CB 0.590 32.293 31.700 0.005 0.000 1.035 184 L N 0.463 121.695 121.223 0.015 0.000 2.309 184 L HA 0.680 5.020 4.340 -0.000 0.000 0.261 184 L C -0.047 176.930 176.870 0.180 0.000 1.021 184 L CA -0.569 54.313 54.840 0.071 0.000 0.823 184 L CB 2.164 44.208 42.059 -0.025 0.000 1.366 184 L HN 0.427 nan 8.230 nan 0.000 0.423 185 E N 1.069 121.486 120.200 0.362 0.000 2.380 185 E HA 0.323 4.673 4.350 -0.000 0.000 0.281 185 E C -2.002 174.775 176.600 0.295 0.000 0.999 185 E CA -0.794 55.836 56.400 0.385 0.000 0.800 185 E CB 2.419 32.210 29.700 0.151 0.000 1.228 185 E HN 0.416 nan 8.360 nan 0.000 0.436 186 L N 2.689 123.893 121.223 -0.033 0.000 2.395 186 L HA 0.504 4.844 4.340 -0.000 0.000 0.269 186 L C -0.950 175.773 176.870 -0.245 0.000 1.133 186 L CA 0.385 54.846 54.840 -0.632 0.000 0.812 186 L CB 0.557 42.179 42.059 -0.728 0.000 1.125 186 L HN 0.487 nan 8.230 nan 0.000 0.452 187 K N 2.983 123.304 120.400 -0.132 0.000 2.502 187 K HA 0.424 4.744 4.320 -0.000 0.000 0.257 187 K C -1.327 175.325 176.600 0.086 0.000 0.938 187 K CA -1.011 55.361 56.287 0.142 0.000 0.819 187 K CB 1.803 34.540 32.500 0.395 0.000 1.333 187 K HN 0.522 nan 8.250 nan 0.000 0.434 188 N N 1.489 120.129 118.700 -0.101 0.000 2.477 188 N HA 0.479 5.219 4.740 -0.000 0.000 0.284 188 N C -1.123 174.133 175.510 -0.422 0.000 1.182 188 N CA -0.498 52.372 53.050 -0.300 0.000 0.949 188 N CB 1.331 39.659 38.487 -0.264 0.000 1.204 188 N HN 0.452 nan 8.380 nan 0.000 0.526 189 K N -0.422 119.638 120.400 -0.565 0.000 2.642 189 K HA 0.283 4.603 4.320 -0.000 0.000 0.290 189 K C -1.473 174.721 176.600 -0.677 0.000 1.006 189 K CA -0.601 55.316 56.287 -0.616 0.000 0.869 189 K CB 0.671 32.819 32.500 -0.588 0.000 1.499 189 K HN 0.668 nan 8.250 nan 0.000 0.403 190 H N 0.773 119.587 119.070 -0.426 0.000 2.495 190 H HA 0.407 4.963 4.556 -0.000 0.000 0.350 190 H C -0.219 174.874 175.328 -0.391 0.000 1.202 190 H CA -0.508 55.282 56.048 -0.430 0.000 1.322 190 H CB 0.826 30.295 29.762 -0.489 0.000 1.544 190 H HN 0.254 nan 8.280 nan 0.000 0.565 191 I N 2.051 122.475 120.570 -0.244 0.000 2.312 191 I HA 0.124 4.294 4.170 -0.000 0.000 0.291 191 I C 0.293 176.324 176.117 -0.143 0.000 1.031 191 I CA -0.155 60.973 61.300 -0.286 0.000 1.293 191 I CB 0.562 38.288 38.000 -0.457 0.000 1.403 191 I HN 0.598 nan 8.210 nan 0.000 0.484 192 E N 3.929 124.124 120.200 -0.009 0.000 2.700 192 E HA 0.081 4.431 4.350 -0.000 0.000 0.253 192 E C 0.319 177.023 176.600 0.174 0.000 1.175 192 E CA -0.736 55.797 56.400 0.221 0.000 1.010 192 E CB 1.000 30.860 29.700 0.266 0.000 1.284 192 E HN 0.496 nan 8.360 nan 0.000 0.557 193 D N 0.049 120.618 120.400 0.282 0.000 2.149 193 D HA -0.049 4.591 4.640 -0.000 0.000 0.201 193 D C 0.633 177.012 176.300 0.132 0.000 0.972 193 D CA 0.768 54.887 54.000 0.197 0.000 0.835 193 D CB -0.079 40.872 40.800 0.251 0.000 0.966 193 D HN 0.478 nan 8.370 nan 0.000 0.476 194 G N 1.221 110.093 108.800 0.120 0.000 4.464 194 G HA2 0.221 4.181 3.960 -0.000 0.000 0.297 194 G HA3 0.221 4.181 3.960 -0.000 0.000 0.297 194 G C -0.570 174.388 174.900 0.097 0.000 1.342 194 G CA -0.509 44.648 45.100 0.095 0.000 1.335 194 G HN -0.012 nan 8.290 nan 0.000 0.609 195 D N 0.603 121.080 120.400 0.128 0.000 2.385 195 D HA 0.417 5.057 4.640 -0.000 0.000 0.254 195 D C 0.434 176.846 176.300 0.185 0.000 1.053 195 D CA -0.456 53.625 54.000 0.135 0.000 0.992 195 D CB 1.325 42.181 40.800 0.093 0.000 1.145 195 D HN -0.035 nan 8.370 nan 0.000 0.523 196 M N 0.925 120.615 119.600 0.150 0.000 2.233 196 M HA 0.270 4.750 4.480 -0.000 0.000 0.355 196 M C 0.116 176.537 176.300 0.202 0.000 1.191 196 M CA -0.718 54.646 55.300 0.108 0.000 1.101 196 M CB 1.299 33.920 32.600 0.034 0.000 1.592 196 M HN 0.378 nan 8.290 nan 0.000 0.461 197 M N 2.497 122.088 119.600 -0.014 0.000 2.202 197 M HA 0.120 4.600 4.480 -0.000 0.000 0.316 197 M C 0.188 176.519 176.300 0.052 0.000 1.138 197 M CA 0.283 55.521 55.300 -0.104 0.000 1.151 197 M CB 0.404 32.831 32.600 -0.289 0.000 1.422 197 M HN 0.498 nan 8.290 nan 0.000 0.471 198 E N 3.805 124.081 120.200 0.127 0.000 2.052 198 E HA 0.205 4.555 4.350 -0.000 0.000 0.283 198 E C -1.377 175.250 176.600 0.046 0.000 1.071 198 E CA -0.115 56.362 56.400 0.129 0.000 0.851 198 E CB -0.311 29.528 29.700 0.231 0.000 1.066 198 E HN 0.659 nan 8.360 nan 0.000 0.396 199 I N 2.902 123.451 120.570 -0.036 0.000 2.395 199 I HA 0.332 4.502 4.170 -0.000 0.000 0.282 199 I C 1.301 177.251 176.117 -0.278 0.000 1.107 199 I CA -0.454 60.766 61.300 -0.134 0.000 1.210 199 I CB 0.520 38.404 38.000 -0.192 0.000 1.456 199 I HN 0.686 nan 8.210 nan 0.000 0.504 200 G N 3.590 112.351 108.800 -0.066 0.000 2.382 200 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.259 200 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.259 200 G C 0.062 175.259 174.900 0.495 0.000 1.009 200 G CA 0.340 45.500 45.100 0.099 0.000 0.625 200 G HN 0.438 nan 8.290 nan 0.000 0.541 201 F N 0.920 120.957 119.950 0.145 0.000 2.556 201 F HA 0.744 5.271 4.527 -0.000 0.000 0.327 201 F C 1.092 177.020 175.800 0.214 0.000 1.059 201 F CA -1.798 56.291 58.000 0.148 0.000 0.953 201 F CB 0.400 39.473 39.000 0.120 0.000 1.227 201 F HN 0.270 nan 8.300 nan 0.000 0.478 202 G N 0.202 109.237 108.800 0.391 0.000 2.647 202 G HA2 0.366 4.326 3.960 -0.000 0.000 0.234 202 G HA3 0.366 4.326 3.960 -0.000 0.000 0.234 202 G C -0.497 174.691 174.900 0.479 0.000 1.252 202 G CA -0.108 45.195 45.100 0.339 0.000 0.846 202 G HN 0.896 nan 8.290 nan 0.000 0.589 203 A N 0.358 123.400 122.820 0.371 0.000 2.309 203 A HA 0.774 5.094 4.320 -0.000 0.000 0.290 203 A C 0.511 178.282 177.584 0.312 0.000 1.206 203 A CA 0.468 52.662 52.037 0.262 0.000 0.850 203 A CB 0.338 19.440 19.000 0.169 0.000 1.118 203 A HN 2.262 nan 8.150 nan 0.000 0.523 204 A N 2.946 125.813 122.820 0.078 0.000 2.597 204 A HA 0.565 4.885 4.320 -0.000 0.000 0.292 204 A C -0.920 176.575 177.584 -0.147 0.000 1.057 204 A CA -0.860 51.251 52.037 0.123 0.000 0.674 204 A CB 0.661 19.939 19.000 0.462 0.000 1.278 204 A HN 1.190 nan 8.150 nan 0.000 0.416 205 N N 1.376 120.067 118.700 -0.015 0.000 2.421 205 N HA 0.173 4.913 4.740 -0.000 0.000 0.260 205 N C -0.107 175.503 175.510 0.167 0.000 1.173 205 N CA -0.425 52.633 53.050 0.012 0.000 0.960 205 N CB -0.188 38.313 38.487 0.023 0.000 1.273 205 N HN 0.403 nan 8.380 nan 0.000 0.497 206 F N 1.459 121.456 119.950 0.079 0.000 2.333 206 F HA -0.030 4.497 4.527 -0.000 0.000 0.300 206 F C 1.720 177.545 175.800 0.042 0.000 1.083 206 F CA 0.338 58.377 58.000 0.066 0.000 1.395 206 F CB -0.402 38.653 39.000 0.092 0.000 1.056 206 F HN 0.412 nan 8.300 nan 0.000 0.529 207 K N 0.339 120.874 120.400 0.225 0.000 2.173 207 K HA -0.228 4.092 4.320 -0.000 0.000 0.207 207 K C 1.224 177.881 176.600 0.095 0.000 1.046 207 K CA 1.906 58.273 56.287 0.135 0.000 0.929 207 K CB -0.328 32.229 32.500 0.095 0.000 0.720 207 K HN 0.409 nan 8.250 nan 0.000 0.453 208 E N -0.395 119.862 120.200 0.094 0.000 2.481 208 E HA 0.076 4.426 4.350 -0.000 0.000 0.198 208 E C 1.061 177.687 176.600 0.044 0.000 1.027 208 E CA -0.070 56.362 56.400 0.054 0.000 0.900 208 E CB 0.511 30.234 29.700 0.038 0.000 0.993 208 E HN 0.179 nan 8.360 nan 0.000 0.482 209 I N 0.541 121.151 120.570 0.066 0.000 3.883 209 I HA 0.025 4.195 4.170 -0.000 0.000 0.305 209 I C 0.655 176.736 176.117 -0.060 0.000 1.247 209 I CA 0.337 61.641 61.300 0.006 0.000 1.350 209 I CB -0.175 37.841 38.000 0.026 0.000 1.194 209 I HN -0.018 nan 8.210 nan 0.000 0.441 210 N N 2.212 120.889 118.700 -0.038 0.000 2.527 210 N HA 0.353 5.093 4.740 -0.000 0.000 0.236 210 N C 0.356 175.843 175.510 -0.039 0.000 0.999 210 N CA 0.067 53.069 53.050 -0.080 0.000 0.935 210 N CB 1.371 39.808 38.487 -0.083 0.000 1.132 210 N HN 0.115 nan 8.380 nan 0.000 0.511 211 A N 2.181 124.968 122.820 -0.056 0.000 2.308 211 A HA 0.180 4.500 4.320 -0.000 0.000 0.217 211 A C 1.349 178.901 177.584 -0.052 0.000 1.216 211 A CA 0.052 52.065 52.037 -0.039 0.000 0.864 211 A CB 0.186 19.163 19.000 -0.038 0.000 0.902 211 A HN 0.553 nan 8.150 nan 0.000 0.499 212 S N -0.459 115.193 115.700 -0.080 0.000 2.497 212 S HA 0.113 4.583 4.470 -0.000 0.000 0.221 212 S C 0.741 175.288 174.600 -0.088 0.000 1.037 212 S CA 0.267 58.410 58.200 -0.095 0.000 0.920 212 S CB 0.250 63.366 63.200 -0.140 0.000 0.800 212 S HN 0.456 nan 8.310 nan 0.000 0.505 213 K N 0.473 120.824 120.400 -0.081 0.000 3.553 213 K HA -0.136 4.184 4.320 -0.000 0.000 0.303 213 K C 0.793 177.321 176.600 -0.120 0.000 1.327 213 K CA 1.331 57.593 56.287 -0.041 0.000 0.983 213 K CB -2.543 29.962 32.500 0.009 0.000 1.275 213 K HN 0.622 nan 8.250 nan 0.000 0.453 214 S N -1.117 114.443 115.700 -0.234 0.000 2.578 214 S HA 0.185 4.655 4.470 -0.000 0.000 0.231 214 S C 0.613 174.814 174.600 -0.665 0.000 0.994 214 S CA -0.105 57.846 58.200 -0.416 0.000 0.956 214 S CB 0.565 63.572 63.200 -0.322 0.000 0.870 214 S HN 0.077 nan 8.310 nan 0.000 0.494 215 D N 1.511 121.626 120.400 -0.475 0.000 2.349 215 D HA 0.414 5.054 4.640 -0.000 0.000 0.214 215 D C 0.038 176.198 176.300 -0.232 0.000 1.063 215 D CA 0.264 53.947 54.000 -0.530 0.000 0.847 215 D CB 0.334 40.873 40.800 -0.434 0.000 0.933 215 D HN 0.430 nan 8.370 nan 0.000 0.513 216 L N -0.736 120.501 121.223 0.023 0.000 2.403 216 L HA 0.520 4.860 4.340 -0.000 0.000 0.253 216 L C -2.589 174.567 176.870 0.477 0.000 1.045 216 L CA -2.437 52.636 54.840 0.389 0.000 0.845 216 L CB 2.176 44.421 42.059 0.309 0.000 1.447 216 L HN -0.408 nan 8.230 nan 0.000 0.411 217 P HA 0.136 nan 4.420 nan 0.000 0.279 217 P C 0.283 177.846 177.300 0.440 0.000 1.239 217 P CA -0.459 62.872 63.100 0.386 0.000 0.789 217 P CB 0.961 32.792 31.700 0.218 0.000 0.933 218 L N 3.940 125.509 121.223 0.576 0.000 2.081 218 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 218 L C 1.556 178.731 176.870 0.507 0.000 1.080 218 L CA 2.230 57.413 54.840 0.571 0.000 0.754 218 L CB -1.142 41.107 42.059 0.317 0.000 0.893 218 L HN 0.389 nan 8.230 nan 0.000 0.433 219 D N -0.976 119.758 120.400 0.558 0.000 2.144 219 D HA -0.247 4.393 4.640 -0.000 0.000 0.199 219 D C 2.154 178.596 176.300 0.236 0.000 0.984 219 D CA 1.560 55.785 54.000 0.374 0.000 0.834 219 D CB -0.659 40.143 40.800 0.003 0.000 0.955 219 D HN 0.392 nan 8.370 nan 0.000 0.465 220 I N 0.724 121.424 120.570 0.218 0.000 2.400 220 I HA -0.048 4.122 4.170 -0.000 0.000 0.248 220 I C 0.944 177.208 176.117 0.245 0.000 1.109 220 I CA 0.324 61.733 61.300 0.181 0.000 1.425 220 I CB -0.777 37.320 38.000 0.162 0.000 1.094 220 I HN 0.173 nan 8.210 nan 0.000 0.425 221 Q N 1.880 121.864 119.800 0.307 0.000 2.342 221 Q HA -0.270 4.070 4.340 -0.000 0.000 0.330 221 Q C 0.748 176.888 176.000 0.234 0.000 1.117 221 Q CA 1.316 57.302 55.803 0.306 0.000 1.010 221 Q CB 0.091 28.993 28.738 0.274 0.000 1.204 221 Q HN 0.523 nan 8.270 nan 0.000 0.400 222 N N 0.416 119.253 118.700 0.229 0.000 2.863 222 N HA -0.227 4.513 4.740 -0.000 0.000 0.245 222 N C -1.540 174.047 175.510 0.128 0.000 1.001 222 N CA 2.001 55.147 53.050 0.161 0.000 0.901 222 N CB -0.471 38.090 38.487 0.123 0.000 1.124 222 N HN 0.778 nan 8.380 nan 0.000 0.582 223 E N -0.278 119.993 120.200 0.118 0.000 2.299 223 E HA 0.549 4.899 4.350 -0.000 0.000 0.260 223 E C -0.171 176.397 176.600 -0.053 0.000 0.944 223 E CA -0.961 55.471 56.400 0.053 0.000 0.815 223 E CB 1.315 31.055 29.700 0.067 0.000 1.252 223 E HN 0.192 nan 8.360 nan 0.000 0.418 224 I N 1.300 121.842 120.570 -0.046 0.000 2.328 224 I HA 0.197 4.367 4.170 -0.000 0.000 0.287 224 I C -0.490 175.561 176.117 -0.110 0.000 1.012 224 I CA -0.709 60.538 61.300 -0.088 0.000 1.195 224 I CB 1.001 39.021 38.000 0.034 0.000 1.350 224 I HN 0.364 nan 8.210 nan 0.000 0.464 225 C N 7.675 126.826 119.300 -0.248 0.000 2.442 225 C HA 0.379 4.839 4.460 -0.000 0.000 0.362 225 C C 0.726 175.710 174.990 -0.010 0.000 1.242 225 C CA -0.274 58.669 59.018 -0.125 0.000 1.741 225 C CB -0.879 26.731 27.740 -0.216 0.000 2.378 225 C HN 0.620 nan 8.230 nan 0.000 0.549 226 L N 3.480 124.721 121.223 0.030 0.000 2.544 226 L HA 0.648 4.988 4.340 -0.000 0.000 0.256 226 L C -0.550 176.381 176.870 0.102 0.000 1.097 226 L CA -0.708 54.100 54.840 -0.053 0.000 0.812 226 L CB 1.154 43.048 42.059 -0.275 0.000 1.440 226 L HN 0.539 nan 8.230 nan 0.000 0.496 227 Y N -0.483 119.687 120.300 -0.216 0.000 2.656 227 Y HA 0.363 4.913 4.550 -0.000 0.000 0.334 227 Y C -2.647 173.036 175.900 -0.361 0.000 1.179 227 Y CA -2.038 55.956 58.100 -0.177 0.000 1.050 227 Y CB 2.081 40.489 38.460 -0.087 0.000 1.308 227 Y HN 0.200 nan 8.280 nan 0.000 0.456 228 P HA 0.159 nan 4.420 nan 0.000 0.287 228 P C -1.092 175.577 177.300 -1.052 0.000 1.307 228 P CA 0.065 62.455 63.100 -1.182 0.000 0.777 228 P CB 0.573 31.242 31.700 -1.717 0.000 0.883 229 D N 2.888 122.900 120.400 -0.646 0.000 2.688 229 D HA 0.016 4.656 4.640 -0.000 0.000 0.228 229 D C 0.640 176.728 176.300 -0.353 0.000 1.116 229 D CA -0.254 53.522 54.000 -0.374 0.000 1.023 229 D CB -0.484 40.152 40.800 -0.273 0.000 1.100 229 D HN 0.306 nan 8.370 nan 0.000 0.487 230 Y N 0.713 120.878 120.300 -0.225 0.000 2.181 230 Y HA -0.275 4.275 4.550 -0.000 0.000 0.284 230 Y C 2.267 178.085 175.900 -0.136 0.000 1.179 230 Y CA 0.748 58.697 58.100 -0.250 0.000 1.179 230 Y CB -0.126 38.185 38.460 -0.248 0.000 0.973 230 Y HN 0.291 nan 8.280 nan 0.000 0.519 231 L N -0.146 121.118 121.223 0.068 0.000 2.012 231 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 231 L C 2.518 179.389 176.870 0.001 0.000 1.073 231 L CA 1.747 56.613 54.840 0.043 0.000 0.748 231 L CB -0.607 41.476 42.059 0.040 0.000 0.891 231 L HN 0.133 nan 8.230 nan 0.000 0.431 232 K N 0.162 120.533 120.400 -0.048 0.000 2.057 232 K HA -0.159 4.161 4.320 -0.000 0.000 0.207 232 K C 2.132 178.698 176.600 -0.056 0.000 1.049 232 K CA 1.454 57.701 56.287 -0.066 0.000 0.931 232 K CB -0.077 32.352 32.500 -0.118 0.000 0.714 232 K HN 0.076 nan 8.250 nan 0.000 0.440 233 M N 0.016 119.570 119.600 -0.077 0.000 2.159 233 M HA -0.043 4.437 4.480 -0.000 0.000 0.263 233 M C 2.154 178.458 176.300 0.007 0.000 1.063 233 M CA 1.739 57.004 55.300 -0.059 0.000 1.110 233 M CB -1.234 31.305 32.600 -0.102 0.000 1.374 233 M HN 0.255 nan 8.290 nan 0.000 0.411 234 A N -0.657 122.180 122.820 0.029 0.000 2.206 234 A HA -0.074 4.246 4.320 -0.000 0.000 0.211 234 A C 2.122 179.736 177.584 0.050 0.000 1.158 234 A CA 1.078 53.152 52.037 0.061 0.000 0.761 234 A CB -0.532 18.513 19.000 0.074 0.000 0.801 234 A HN 0.584 nan 8.150 nan 0.000 0.473 235 E N 0.132 120.351 120.200 0.031 0.000 2.251 235 E HA -0.022 4.328 4.350 -0.000 0.000 0.194 235 E C -0.511 176.110 176.600 0.034 0.000 0.964 235 E CA -0.273 56.145 56.400 0.031 0.000 0.868 235 E CB 0.143 29.854 29.700 0.018 0.000 0.828 235 E HN 0.464 nan 8.360 nan 0.000 0.481 236 D N 1.069 121.486 120.400 0.028 0.000 2.487 236 D HA -0.048 4.592 4.640 -0.000 0.000 0.243 236 D C 0.744 177.081 176.300 0.062 0.000 1.154 236 D CA 0.419 54.441 54.000 0.036 0.000 0.876 236 D CB 1.526 42.343 40.800 0.028 0.000 1.161 236 D HN 0.207 nan 8.370 nan 0.000 0.478 237 A N 3.719 126.578 122.820 0.066 0.000 1.873 237 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 237 A C 2.158 179.812 177.584 0.117 0.000 1.193 237 A CA 2.332 54.422 52.037 0.087 0.000 0.629 237 A CB -0.726 18.326 19.000 0.086 0.000 0.826 237 A HN 0.668 nan 8.150 nan 0.000 0.447 238 A N -1.974 120.921 122.820 0.125 0.000 1.859 238 A HA 0.172 4.492 4.320 -0.000 0.000 0.218 238 A C 2.496 180.188 177.584 0.181 0.000 1.209 238 A CA 2.826 54.968 52.037 0.175 0.000 0.639 238 A CB -1.367 17.733 19.000 0.167 0.000 0.835 238 A HN 2.209 nan 8.150 nan 0.000 0.450 239 G N -2.192 106.697 108.800 0.147 0.000 2.176 239 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.232 239 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.232 239 G C 0.613 175.627 174.900 0.190 0.000 0.986 239 G CA 0.906 46.100 45.100 0.157 0.000 0.643 239 G HN 0.459 nan 8.290 nan 0.000 0.522 240 N N 1.139 119.950 118.700 0.185 0.000 2.192 240 N HA -0.074 4.666 4.740 -0.000 0.000 0.188 240 N C 2.323 177.840 175.510 0.012 0.000 1.013 240 N CA 1.542 54.699 53.050 0.180 0.000 0.863 240 N CB -0.363 38.224 38.487 0.166 0.000 0.990 240 N HN 0.479 nan 8.380 nan 0.000 0.430 241 S N 0.319 116.008 115.700 -0.017 0.000 2.374 241 S HA -0.110 4.360 4.470 -0.000 0.000 0.227 241 S C 0.941 175.447 174.600 -0.157 0.000 1.037 241 S CA 1.349 59.483 58.200 -0.110 0.000 1.024 241 S CB -0.204 62.941 63.200 -0.091 0.000 0.861 241 S HN 0.569 nan 8.310 nan 0.000 0.456 242 M N -1.992 117.567 119.600 -0.068 0.000 2.274 242 M HA 0.431 4.911 4.480 -0.000 0.000 0.272 242 M C -0.794 175.608 176.300 0.170 0.000 1.053 242 M CA -0.559 54.699 55.300 -0.070 0.000 0.978 242 M CB 0.924 33.498 32.600 -0.043 0.000 1.836 242 M HN -0.204 nan 8.290 nan 0.000 0.484 243 F N 2.434 122.469 119.950 0.141 0.000 2.146 243 F HA 0.248 4.775 4.527 -0.000 0.000 0.298 243 F C 0.744 176.753 175.800 0.349 0.000 1.096 243 F CA 0.843 58.987 58.000 0.240 0.000 1.275 243 F CB -0.377 38.813 39.000 0.317 0.000 1.008 243 F HN 0.737 nan 8.300 nan 0.000 0.480 244 F N -2.541 117.561 119.950 0.253 0.000 3.052 244 F HA 0.565 5.092 4.527 -0.000 0.000 0.323 244 F C -1.467 174.433 175.800 0.166 0.000 1.178 244 F CA -2.389 55.683 58.000 0.119 0.000 0.892 244 F CB 1.675 40.672 39.000 -0.005 0.000 1.416 244 F HN -0.162 nan 8.300 nan 0.000 0.488 245 F N -0.264 119.389 119.950 -0.495 0.000 2.793 245 F HA 0.836 5.363 4.527 -0.000 0.000 0.316 245 F C -1.925 173.680 175.800 -0.325 0.000 1.147 245 F CA -0.983 56.672 58.000 -0.576 0.000 0.930 245 F CB 0.743 39.565 39.000 -0.295 0.000 1.277 245 F HN 1.161 nan 8.300 nan 0.000 0.443 246 A N 2.491 125.188 122.820 -0.204 0.000 2.475 246 A HA 0.988 5.308 4.320 -0.000 0.000 0.301 246 A C -1.295 176.321 177.584 0.054 0.000 1.059 246 A CA -0.828 51.084 52.037 -0.208 0.000 0.710 246 A CB 2.047 20.869 19.000 -0.297 0.000 1.288 246 A HN 1.337 nan 8.150 nan 0.000 0.408 247 R N 0.896 121.426 120.500 0.049 0.000 2.566 247 R HA 0.747 5.087 4.340 -0.000 0.000 0.271 247 R C -1.745 174.593 176.300 0.062 0.000 1.071 247 R CA -0.810 55.352 56.100 0.103 0.000 0.915 247 R CB 1.638 32.046 30.300 0.181 0.000 1.228 247 R HN 0.481 nan 8.270 nan 0.000 0.449 248 K N 2.187 122.633 120.400 0.076 0.000 2.565 248 K HA 0.227 4.547 4.320 -0.000 0.000 0.249 248 K C -1.631 175.025 176.600 0.094 0.000 0.958 248 K CA -0.688 55.641 56.287 0.070 0.000 0.806 248 K CB 2.322 34.855 32.500 0.055 0.000 1.194 248 K HN 0.836 nan 8.250 nan 0.000 0.434 249 E N 3.081 123.339 120.200 0.098 0.000 2.343 249 E HA 0.248 4.598 4.350 -0.000 0.000 0.286 249 E C -1.440 175.222 176.600 0.104 0.000 0.915 249 E CA -0.897 55.570 56.400 0.111 0.000 0.784 249 E CB 1.767 31.553 29.700 0.144 0.000 1.251 249 E HN 0.397 nan 8.360 nan 0.000 0.407 250 Q N 1.255 121.116 119.800 0.101 0.000 2.377 250 Q HA 0.805 5.145 4.340 -0.000 0.000 0.271 250 Q C -1.230 174.856 176.000 0.142 0.000 1.077 250 Q CA -1.075 54.790 55.803 0.103 0.000 0.820 250 Q CB 3.179 31.961 28.738 0.074 0.000 1.347 250 Q HN 0.452 nan 8.270 nan 0.000 0.444 251 V N 1.687 121.709 119.914 0.181 0.000 3.282 251 V HA 0.773 4.893 4.120 -0.000 0.000 0.295 251 V C -2.254 174.054 176.094 0.357 0.000 1.451 251 V CA -0.536 61.912 62.300 0.247 0.000 1.062 251 V CB 2.364 34.270 31.823 0.139 0.000 1.128 251 V HN 0.866 nan 8.190 nan 0.000 0.456 252 Y N 1.637 121.943 120.300 0.010 0.000 2.717 252 Y HA 0.685 5.235 4.550 -0.000 0.000 0.345 252 Y C -0.810 175.075 175.900 -0.026 0.000 1.187 252 Y CA -0.862 57.235 58.100 -0.005 0.000 1.128 252 Y CB 0.831 39.284 38.460 -0.012 0.000 1.360 252 Y HN 1.022 nan 8.280 nan 0.000 0.467 253 V N 0.733 120.512 119.914 -0.225 0.000 2.843 253 V HA 0.462 4.582 4.120 -0.000 0.000 0.305 253 V C 0.574 176.348 176.094 -0.533 0.000 1.065 253 V CA 0.382 62.485 62.300 -0.328 0.000 1.116 253 V CB 1.467 33.191 31.823 -0.164 0.000 0.968 253 V HN 1.109 nan 8.190 nan 0.000 0.487 254 R N 0.844 121.028 120.500 -0.526 0.000 2.507 254 R HA 0.338 4.678 4.340 -0.000 0.000 0.230 254 R C 0.257 176.197 176.300 -0.600 0.000 0.897 254 R CA -0.140 55.627 56.100 -0.554 0.000 1.006 254 R CB 0.522 30.469 30.300 -0.588 0.000 1.341 254 R HN 0.957 nan 8.270 nan 0.000 0.604 255 H N -0.893 117.982 119.070 -0.326 0.000 2.981 255 H HA 0.417 4.973 4.556 -0.000 0.000 0.327 255 H C -1.194 173.800 175.328 -0.558 0.000 1.342 255 H CA -0.609 55.255 56.048 -0.307 0.000 1.123 255 H CB 1.720 31.351 29.762 -0.218 0.000 1.851 255 H HN -0.048 nan 8.280 nan 0.000 0.531 256 I N 1.240 121.632 120.570 -0.296 0.000 2.512 256 I HA 0.199 4.369 4.170 -0.000 0.000 0.287 256 I C -0.919 175.079 176.117 -0.198 0.000 1.069 256 I CA -0.606 60.464 61.300 -0.383 0.000 1.056 256 I CB 1.797 39.704 38.000 -0.154 0.000 1.229 256 I HN 0.159 nan 8.210 nan 0.000 0.429 257 W N 3.165 124.185 121.300 -0.468 0.000 2.958 257 W HA 0.698 5.358 4.660 -0.000 0.000 0.339 257 W C -0.110 176.189 176.519 -0.367 0.000 1.174 257 W CA -1.041 56.054 57.345 -0.417 0.000 1.064 257 W CB 1.180 30.397 29.460 -0.405 0.000 1.471 257 W HN 0.359 nan 8.180 nan 0.000 0.599 258 T N -0.459 114.192 114.554 0.162 0.000 2.881 258 T HA 0.542 4.892 4.350 -0.000 0.000 0.290 258 T C 0.001 174.802 174.700 0.169 0.000 1.000 258 T CA -0.955 61.198 62.100 0.089 0.000 0.978 258 T CB 2.167 71.049 68.868 0.024 0.000 0.997 258 T HN 0.101 nan 8.240 nan 0.000 0.443 259 R N 1.468 122.054 120.500 0.143 0.000 2.893 259 R HA 0.461 4.801 4.340 -0.000 0.000 0.279 259 R C 1.347 177.629 176.300 -0.030 0.000 1.076 259 R CA -0.066 56.058 56.100 0.040 0.000 1.203 259 R CB -0.192 30.078 30.300 -0.051 0.000 1.137 259 R HN 1.019 nan 8.270 nan 0.000 0.541 260 G N -0.792 107.963 108.800 -0.075 0.000 4.100 260 G HA2 0.255 4.215 3.960 -0.000 0.000 0.294 260 G HA3 0.255 4.215 3.960 -0.000 0.000 0.294 260 G C 0.243 175.096 174.900 -0.080 0.000 1.040 260 G CA 0.060 45.117 45.100 -0.071 0.000 0.829 260 G HN 0.602 nan 8.290 nan 0.000 0.505 261 G N 0.057 108.803 108.800 -0.089 0.000 2.425 261 G HA2 0.427 4.387 3.960 -0.000 0.000 0.302 261 G HA3 0.427 4.387 3.960 -0.000 0.000 0.302 261 G C 0.091 174.947 174.900 -0.072 0.000 1.159 261 G CA -0.138 44.911 45.100 -0.085 0.000 0.865 261 G HN 0.225 nan 8.290 nan 0.000 0.515 262 S N -0.224 115.438 115.700 -0.063 0.000 2.572 262 S HA 0.141 4.611 4.470 -0.000 0.000 0.279 262 S C 0.256 174.821 174.600 -0.057 0.000 1.341 262 S CA -0.156 58.011 58.200 -0.055 0.000 1.043 262 S CB 0.284 63.456 63.200 -0.047 0.000 0.887 262 S HN 0.499 nan 8.310 nan 0.000 0.516 263 E N 2.607 122.775 120.200 -0.053 0.000 2.197 263 E HA 0.243 4.593 4.350 -0.000 0.000 0.281 263 E C 0.088 176.664 176.600 -0.040 0.000 0.995 263 E CA -0.801 55.568 56.400 -0.052 0.000 0.808 263 E CB 1.018 30.685 29.700 -0.055 0.000 1.093 263 E HN 0.467 nan 8.360 nan 0.000 0.394 264 K N 1.799 122.175 120.400 -0.038 0.000 2.374 264 K HA 0.043 4.363 4.320 -0.000 0.000 0.196 264 K C -0.307 176.280 176.600 -0.022 0.000 1.023 264 K CA 0.401 56.670 56.287 -0.029 0.000 1.103 264 K CB 0.349 32.830 32.500 -0.031 0.000 0.848 264 K HN 0.616 nan 8.250 nan 0.000 0.528 265 E N -0.305 119.881 120.200 -0.023 0.000 2.466 265 E HA 0.506 4.856 4.350 -0.000 0.000 0.308 265 E C -1.287 175.307 176.600 -0.010 0.000 0.933 265 E CA -0.565 55.828 56.400 -0.011 0.000 0.800 265 E CB 1.164 30.857 29.700 -0.012 0.000 1.434 265 E HN -0.049 nan 8.360 nan 0.000 0.389 266 A N 3.755 126.576 122.820 0.002 0.000 2.269 266 A HA 0.780 5.100 4.320 -0.000 0.000 0.327 266 A C -2.187 175.429 177.584 0.053 0.000 1.112 266 A CA -1.519 50.520 52.037 0.003 0.000 0.865 266 A CB 0.184 19.174 19.000 -0.017 0.000 1.227 266 A HN 0.610 nan 8.150 nan 0.000 0.498 267 P HA 0.184 nan 4.420 nan 0.000 0.271 267 P C -0.102 177.344 177.300 0.243 0.000 1.226 267 P CA 0.187 63.403 63.100 0.192 0.000 0.765 267 P CB 0.244 32.049 31.700 0.176 0.000 0.835 268 T N 1.963 116.669 114.554 0.253 0.000 2.791 268 T HA -0.000 4.350 4.350 -0.000 0.000 0.323 268 T C 1.868 176.660 174.700 0.153 0.000 1.082 268 T CA 0.788 62.979 62.100 0.151 0.000 1.084 268 T CB -0.044 68.864 68.868 0.067 0.000 0.992 268 T HN 0.600 nan 8.240 nan 0.000 0.547 269 T N -0.626 113.982 114.554 0.090 0.000 2.996 269 T HA -0.165 4.185 4.350 -0.000 0.000 0.271 269 T C 1.356 176.038 174.700 -0.031 0.000 1.126 269 T CA 1.286 63.418 62.100 0.054 0.000 1.103 269 T CB -0.352 68.524 68.868 0.014 0.000 0.870 269 T HN 0.758 nan 8.240 nan 0.000 0.528 270 D N -0.345 119.987 120.400 -0.114 0.000 2.347 270 D HA -0.010 4.630 4.640 -0.000 0.000 0.215 270 D C 1.194 177.299 176.300 -0.325 0.000 0.976 270 D CA 0.272 54.114 54.000 -0.262 0.000 0.884 270 D CB -0.428 40.135 40.800 -0.396 0.000 0.915 270 D HN 0.492 nan 8.370 nan 0.000 0.526 271 F N -0.401 119.575 119.950 0.043 0.000 2.537 271 F HA 0.215 4.742 4.527 -0.000 0.000 0.277 271 F C 0.356 176.210 175.800 0.091 0.000 1.013 271 F CA -0.599 57.437 58.000 0.059 0.000 1.332 271 F CB -0.402 38.643 39.000 0.075 0.000 1.108 271 F HN -0.175 nan 8.300 nan 0.000 0.679 272 Y N 2.171 122.593 120.300 0.203 0.000 2.367 272 Y HA 0.547 5.097 4.550 -0.000 0.000 0.342 272 Y C -0.823 175.117 175.900 0.066 0.000 0.979 272 Y CA -2.002 56.167 58.100 0.115 0.000 1.161 272 Y CB 0.717 39.235 38.460 0.096 0.000 1.155 272 Y HN -0.042 nan 8.280 nan 0.000 0.503 273 L N 7.409 128.265 121.223 -0.611 0.000 2.265 273 L HA 0.380 4.720 4.340 -0.000 0.000 0.288 273 L C -0.061 176.254 176.870 -0.925 0.000 1.058 273 L CA -0.317 54.164 54.840 -0.597 0.000 0.809 273 L CB 0.345 42.257 42.059 -0.245 0.000 1.179 273 L HN 0.749 nan 8.230 nan 0.000 0.429 274 K N 4.280 124.216 120.400 -0.774 0.000 2.286 274 K HA 0.162 4.482 4.320 -0.000 0.000 0.256 274 K C -0.310 176.207 176.600 -0.139 0.000 0.999 274 K CA -0.158 55.894 56.287 -0.392 0.000 0.908 274 K CB 0.457 32.877 32.500 -0.134 0.000 0.981 274 K HN 0.940 nan 8.250 nan 0.000 0.500 275 N N 1.138 119.841 118.700 0.005 0.000 2.629 275 N HA 0.100 4.840 4.740 -0.000 0.000 0.279 275 N C -1.096 174.430 175.510 0.026 0.000 1.344 275 N CA -0.789 52.270 53.050 0.015 0.000 0.789 275 N CB 0.478 38.992 38.487 0.045 0.000 1.508 275 N HN 0.452 nan 8.380 nan 0.000 0.516 276 N N 0.742 119.453 118.700 0.018 0.000 2.412 276 N HA -0.091 4.649 4.740 -0.000 0.000 0.258 276 N C 0.559 176.084 175.510 0.025 0.000 1.236 276 N CA 0.771 53.831 53.050 0.017 0.000 0.882 276 N CB 0.258 38.752 38.487 0.012 0.000 1.066 276 N HN 0.798 nan 8.380 nan 0.000 0.465 277 K N -0.243 120.171 120.400 0.023 0.000 3.426 277 K HA -0.196 4.124 4.320 -0.000 0.000 0.315 277 K C 0.589 177.210 176.600 0.035 0.000 1.293 277 K CA 1.178 57.480 56.287 0.024 0.000 0.955 277 K CB -1.303 31.209 32.500 0.020 0.000 1.238 277 K HN 0.726 nan 8.250 nan 0.000 0.441 278 G N 0.125 108.954 108.800 0.050 0.000 2.508 278 G HA2 0.279 4.239 3.960 -0.000 0.000 0.278 278 G HA3 0.279 4.239 3.960 -0.000 0.000 0.278 278 G C -0.547 174.397 174.900 0.075 0.000 1.389 278 G CA -0.145 45.000 45.100 0.075 0.000 1.050 278 G HN 0.283 nan 8.290 nan 0.000 0.522 279 D N -0.825 119.633 120.400 0.098 0.000 2.248 279 D HA 0.462 5.102 4.640 -0.000 0.000 0.246 279 D C 1.203 177.581 176.300 0.129 0.000 1.027 279 D CA 0.012 54.059 54.000 0.079 0.000 0.853 279 D CB 1.921 42.744 40.800 0.037 0.000 1.243 279 D HN 0.326 nan 8.370 nan 0.000 0.462 280 A N 2.038 124.916 122.820 0.096 0.000 1.892 280 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 280 A C 1.074 178.754 177.584 0.160 0.000 1.188 280 A CA 1.412 53.517 52.037 0.113 0.000 0.631 280 A CB -0.268 18.770 19.000 0.064 0.000 0.822 280 A HN 0.523 nan 8.150 nan 0.000 0.447 281 T N -0.558 114.050 114.554 0.089 0.000 2.912 281 T HA 0.570 4.920 4.350 -0.000 0.000 0.288 281 T C -0.326 174.338 174.700 -0.059 0.000 1.030 281 T CA -0.553 61.576 62.100 0.049 0.000 1.020 281 T CB 1.470 70.353 68.868 0.025 0.000 1.056 281 T HN 0.227 nan 8.240 nan 0.000 0.480 282 L N 2.534 123.652 121.223 -0.175 0.000 2.380 282 L HA 0.324 4.664 4.340 -0.000 0.000 0.273 282 L C 1.290 178.077 176.870 -0.138 0.000 1.138 282 L CA 0.023 54.699 54.840 -0.274 0.000 0.832 282 L CB 0.770 42.595 42.059 -0.390 0.000 1.124 282 L HN 0.700 nan 8.230 nan 0.000 0.454 283 K N 2.593 122.923 120.400 -0.117 0.000 2.387 283 K HA 0.287 4.607 4.320 -0.000 0.000 0.197 283 K C 0.190 176.747 176.600 -0.072 0.000 1.127 283 K CA -0.129 56.113 56.287 -0.076 0.000 0.950 283 K CB 0.626 33.093 32.500 -0.055 0.000 1.017 283 K HN 0.360 nan 8.250 nan 0.000 0.519 284 I N 5.182 125.706 120.570 -0.077 0.000 2.533 284 I HA 0.062 4.232 4.170 -0.000 0.000 0.284 284 I C -2.068 174.005 176.117 -0.073 0.000 1.109 284 I CA -2.390 58.871 61.300 -0.064 0.000 1.412 284 I CB 0.193 38.162 38.000 -0.052 0.000 1.396 284 I HN -0.002 nan 8.210 nan 0.000 0.543 285 P HA -0.008 nan 4.420 nan 0.000 0.266 285 P C -0.337 176.889 177.300 -0.124 0.000 1.193 285 P CA -0.079 62.966 63.100 -0.093 0.000 0.770 285 P CB 0.480 32.125 31.700 -0.092 0.000 0.836 286 S N 1.054 116.665 115.700 -0.148 0.000 2.080 286 S HA 0.399 4.869 4.470 -0.000 0.000 0.162 286 S C -0.401 173.980 174.600 -0.364 0.000 1.618 286 S CA -0.685 57.382 58.200 -0.222 0.000 1.200 286 S CB -0.392 62.785 63.200 -0.039 0.000 1.135 286 S HN 0.177 nan 8.310 nan 0.000 0.455 287 V N 3.813 123.443 119.914 -0.473 0.000 2.409 287 V HA 0.449 4.569 4.120 -0.000 0.000 0.291 287 V C -0.609 175.177 176.094 -0.515 0.000 1.020 287 V CA -0.571 61.521 62.300 -0.346 0.000 0.848 287 V CB 1.084 32.826 31.823 -0.134 0.000 0.990 287 V HN 0.740 nan 8.190 nan 0.000 0.430 288 H N 5.866 124.943 119.070 0.012 0.000 2.697 288 H HA 0.337 4.893 4.556 -0.000 0.000 0.270 288 H C -0.579 174.705 175.328 -0.072 0.000 1.188 288 H CA -0.308 55.707 56.048 -0.055 0.000 1.322 288 H CB 0.801 30.521 29.762 -0.070 0.000 1.405 288 H HN 0.642 nan 8.280 nan 0.000 0.502 289 F N 0.225 120.168 119.950 -0.011 0.000 2.422 289 F HA 0.718 5.245 4.527 -0.000 0.000 0.333 289 F C 0.442 176.167 175.800 -0.124 0.000 1.095 289 F CA -1.193 56.757 58.000 -0.084 0.000 1.038 289 F CB 1.091 39.987 39.000 -0.174 0.000 1.156 289 F HN 0.287 nan 8.300 nan 0.000 0.483 290 G N 1.091 109.750 108.800 -0.235 0.000 2.477 290 G HA2 0.460 4.420 3.960 -0.000 0.000 0.304 290 G HA3 0.460 4.420 3.960 -0.000 0.000 0.304 290 G C -0.992 173.747 174.900 -0.268 0.000 1.175 290 G CA -0.677 44.184 45.100 -0.398 0.000 0.907 290 G HN 1.015 nan 8.290 nan 0.000 0.509 291 S N 1.532 116.913 115.700 -0.531 0.000 2.499 291 S HA 0.552 5.022 4.470 -0.000 0.000 0.279 291 S C -2.317 172.179 174.600 -0.173 0.000 1.219 291 S CA -1.276 56.726 58.200 -0.330 0.000 1.062 291 S CB 1.821 64.623 63.200 -0.664 0.000 0.978 291 S HN 0.463 nan 8.310 nan 0.000 0.489 292 P HA 0.196 nan 4.420 nan 0.000 0.271 292 P C -0.628 176.589 177.300 -0.139 0.000 1.216 292 P CA -0.194 62.881 63.100 -0.043 0.000 0.771 292 P CB 1.035 32.756 31.700 0.035 0.000 0.864 293 S N 1.875 117.426 115.700 -0.248 0.000 2.519 293 S HA 0.646 5.116 4.470 -0.000 0.000 0.309 293 S C -0.103 174.511 174.600 0.024 0.000 1.100 293 S CA -0.666 57.365 58.200 -0.283 0.000 1.059 293 S CB 0.475 63.060 63.200 -1.025 0.000 1.008 293 S HN 0.529 nan 8.310 nan 0.000 0.478 294 G N 2.606 111.465 108.800 0.098 0.000 2.319 294 G HA2 0.468 4.428 3.960 -0.000 0.000 0.308 294 G HA3 0.468 4.428 3.960 -0.000 0.000 0.308 294 G C -0.005 175.020 174.900 0.208 0.000 1.117 294 G CA -0.397 44.791 45.100 0.147 0.000 0.903 294 G HN 0.710 nan 8.290 nan 0.000 0.436 295 S N 1.118 116.949 115.700 0.219 0.000 2.624 295 S HA 0.383 4.853 4.470 -0.000 0.000 0.263 295 S C 0.754 175.397 174.600 0.072 0.000 1.287 295 S CA -0.772 57.504 58.200 0.126 0.000 0.990 295 S CB 0.116 63.316 63.200 0.000 0.000 0.950 295 S HN 0.901 nan 8.310 nan 0.000 0.561 296 L N 2.290 123.535 121.223 0.036 0.000 2.525 296 L HA 0.505 4.845 4.340 -0.000 0.000 0.278 296 L C 0.165 177.054 176.870 0.031 0.000 1.218 296 L CA -0.008 54.851 54.840 0.032 0.000 0.878 296 L CB -0.634 41.434 42.059 0.016 0.000 1.127 296 L HN 0.294 nan 8.230 nan 0.000 0.492 297 V N 3.587 123.522 119.914 0.036 0.000 2.617 297 V HA 0.831 4.951 4.120 -0.000 0.000 0.298 297 V C 0.409 176.522 176.094 0.031 0.000 1.048 297 V CA 0.453 62.777 62.300 0.039 0.000 0.964 297 V CB 1.741 33.590 31.823 0.044 0.000 1.004 297 V HN 1.343 nan 8.190 nan 0.000 0.466 298 S N 2.725 118.445 115.700 0.034 0.000 2.715 298 S HA 0.433 4.903 4.470 -0.000 0.000 0.307 298 S C 0.777 175.396 174.600 0.032 0.000 1.119 298 S CA 0.102 58.318 58.200 0.027 0.000 0.937 298 S CB 1.529 64.742 63.200 0.022 0.000 1.150 298 S HN 0.949 nan 8.310 nan 0.000 0.521 299 T N -1.271 113.297 114.554 0.024 0.000 3.088 299 T HA 0.031 4.381 4.350 -0.000 0.000 0.259 299 T C 0.956 175.673 174.700 0.029 0.000 1.122 299 T CA 1.010 63.125 62.100 0.025 0.000 1.095 299 T CB -0.556 68.320 68.868 0.015 0.000 0.930 299 T HN 0.802 nan 8.240 nan 0.000 0.508 300 D N 0.292 120.708 120.400 0.027 0.000 2.431 300 D HA 0.003 4.643 4.640 -0.000 0.000 0.227 300 D C 1.742 178.062 176.300 0.033 0.000 1.030 300 D CA -0.077 53.938 54.000 0.025 0.000 0.897 300 D CB -0.464 40.346 40.800 0.016 0.000 1.058 300 D HN 0.156 nan 8.370 nan 0.000 0.500 301 N N 1.309 120.032 118.700 0.039 0.000 2.188 301 N HA -0.090 4.650 4.740 -0.000 0.000 0.184 301 N C 0.586 176.137 175.510 0.068 0.000 1.018 301 N CA 0.434 53.511 53.050 0.046 0.000 0.858 301 N CB 0.098 38.613 38.487 0.046 0.000 0.989 301 N HN 0.526 nan 8.380 nan 0.000 0.426 302 Q N 1.616 121.474 119.800 0.097 0.000 2.300 302 Q HA 0.043 4.383 4.340 -0.000 0.000 0.280 302 Q C 0.336 176.422 176.000 0.143 0.000 1.033 302 Q CA 0.125 56.032 55.803 0.173 0.000 0.903 302 Q CB 0.050 28.918 28.738 0.216 0.000 1.195 302 Q HN 0.331 nan 8.270 nan 0.000 0.386 303 I N 0.292 120.892 120.570 0.049 0.000 2.206 303 I HA 0.451 4.621 4.170 -0.000 0.000 0.292 303 I C -1.341 174.378 176.117 -0.663 0.000 1.156 303 I CA -0.378 60.796 61.300 -0.209 0.000 1.356 303 I CB -0.680 37.172 38.000 -0.247 0.000 1.494 303 I HN 0.453 nan 8.210 nan 0.000 0.601 304 F N 2.183 122.160 119.950 0.046 0.000 2.741 304 F HA 0.353 4.880 4.527 -0.000 0.000 0.313 304 F C 0.704 176.467 175.800 -0.062 0.000 1.153 304 F CA -0.997 57.010 58.000 0.011 0.000 0.931 304 F CB 1.170 40.191 39.000 0.035 0.000 1.335 304 F HN 0.441 nan 8.300 nan 0.000 0.460 305 N N -0.734 118.053 118.700 0.145 0.000 2.863 305 N HA -0.235 4.505 4.740 -0.000 0.000 0.245 305 N C -0.654 174.792 175.510 -0.108 0.000 1.001 305 N CA 0.562 53.619 53.050 0.013 0.000 0.901 305 N CB -0.884 37.623 38.487 0.033 0.000 1.124 305 N HN 0.444 nan 8.380 nan 0.000 0.582 306 R N 1.437 121.798 120.500 -0.232 0.000 2.247 306 R HA 0.286 4.626 4.340 -0.000 0.000 0.329 306 R C -2.508 173.357 176.300 -0.724 0.000 1.014 306 R CA -1.621 54.232 56.100 -0.411 0.000 0.907 306 R CB 0.711 30.750 30.300 -0.436 0.000 1.146 306 R HN 0.059 nan 8.270 nan 0.000 0.499 307 P HA -0.153 nan 4.420 nan 0.000 0.260 307 P C -1.041 175.571 177.300 -1.147 0.000 1.172 307 P CA 0.584 63.180 63.100 -0.840 0.000 0.760 307 P CB 0.395 31.629 31.700 -0.776 0.000 0.773 308 Y N 2.168 122.026 120.300 -0.736 0.000 2.434 308 Y HA 0.232 4.782 4.550 -0.000 0.000 0.341 308 Y C 0.396 175.886 175.900 -0.684 0.000 0.965 308 Y CA -0.717 57.014 58.100 -0.615 0.000 1.205 308 Y CB 0.677 38.873 38.460 -0.440 0.000 1.121 308 Y HN 0.376 nan 8.280 nan 0.000 0.507 309 W N 6.101 127.422 121.300 0.034 0.000 2.358 309 W HA 0.359 5.019 4.660 0.000 0.000 0.307 309 W C -0.643 175.824 176.519 -0.086 0.000 1.203 309 W CA -0.848 56.484 57.345 -0.022 0.000 1.279 309 W CB 0.615 30.204 29.460 0.215 0.000 1.264 309 W HN 0.296 nan 8.180 nan 0.000 0.474 310 L N 5.017 126.200 121.223 -0.066 0.000 2.268 310 L HA 0.312 4.652 4.340 -0.000 0.000 0.289 310 L C -0.313 176.448 176.870 -0.182 0.000 1.064 310 L CA 0.186 54.932 54.840 -0.157 0.000 0.824 310 L CB -0.097 41.823 42.059 -0.232 0.000 1.202 310 L HN 0.476 nan 8.230 nan 0.000 0.433 311 F N 3.396 123.349 119.950 0.005 0.000 2.622 311 F HA 0.371 4.898 4.527 -0.000 0.000 0.288 311 F C 0.723 176.517 175.800 -0.010 0.000 1.120 311 F CA -0.048 57.957 58.000 0.008 0.000 1.423 311 F CB 0.254 39.259 39.000 0.008 0.000 1.127 311 F HN 0.302 nan 8.300 nan 0.000 0.588 312 R N -0.008 120.580 120.500 0.145 0.000 2.515 312 R HA 0.576 4.916 4.340 -0.000 0.000 0.278 312 R C -0.495 175.846 176.300 0.069 0.000 1.107 312 R CA -0.537 55.610 56.100 0.078 0.000 0.945 312 R CB 1.175 31.525 30.300 0.082 0.000 1.219 312 R HN 0.020 nan 8.270 nan 0.000 0.434 313 A N 1.843 124.693 122.820 0.049 0.000 2.251 313 A HA 0.192 4.512 4.320 -0.000 0.000 0.278 313 A C 0.774 178.426 177.584 0.113 0.000 1.206 313 A CA -0.158 51.943 52.037 0.106 0.000 0.822 313 A CB 0.355 19.409 19.000 0.091 0.000 1.187 313 A HN 0.724 nan 8.150 nan 0.000 0.504 314 Q N -0.786 119.105 119.800 0.152 0.000 2.204 314 Q HA 0.441 4.781 4.340 -0.000 0.000 0.209 314 Q C 0.341 176.412 176.000 0.119 0.000 0.861 314 Q CA 0.201 56.081 55.803 0.130 0.000 0.971 314 Q CB 0.134 28.964 28.738 0.154 0.000 1.095 314 Q HN 0.778 nan 8.270 nan 0.000 0.486 315 G N 0.126 108.996 108.800 0.116 0.000 2.788 315 G HA2 0.429 4.389 3.960 -0.000 0.000 0.293 315 G HA3 0.429 4.389 3.960 -0.000 0.000 0.293 315 G C -0.484 174.473 174.900 0.095 0.000 1.392 315 G CA -0.908 44.261 45.100 0.116 0.000 0.810 315 G HN 0.065 nan 8.290 nan 0.000 0.508 316 M N 0.679 120.342 119.600 0.105 0.000 2.628 316 M HA 0.214 4.694 4.480 -0.000 0.000 0.232 316 M C 0.805 177.152 176.300 0.078 0.000 1.128 316 M CA -0.070 55.281 55.300 0.085 0.000 1.040 316 M CB -0.397 32.270 32.600 0.112 0.000 1.608 316 M HN 0.522 nan 8.290 nan 0.000 0.507 317 N N 1.256 120.009 118.700 0.089 0.000 2.800 317 N HA 0.123 4.863 4.740 -0.000 0.000 0.240 317 N C -0.709 174.745 175.510 -0.093 0.000 1.096 317 N CA -0.176 52.893 53.050 0.033 0.000 0.877 317 N CB 0.346 38.913 38.487 0.133 0.000 1.138 317 N HN 0.387 nan 8.380 nan 0.000 0.509 318 N N 2.585 121.198 118.700 -0.144 0.000 3.027 318 N HA 0.104 4.844 4.740 -0.000 0.000 0.309 318 N C 0.441 175.717 175.510 -0.391 0.000 1.222 318 N CA -0.231 52.702 53.050 -0.195 0.000 1.187 318 N CB 0.112 38.525 38.487 -0.125 0.000 1.458 318 N HN 0.571 nan 8.380 nan 0.000 0.535 319 G N 1.253 109.596 108.800 -0.762 0.000 2.289 319 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.280 319 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.280 319 G C -0.293 174.123 174.900 -0.806 0.000 1.089 319 G CA -0.522 43.830 45.100 -1.247 0.000 0.939 319 G HN 0.499 nan 8.290 nan 0.000 0.499 320 I N 0.864 121.003 120.570 -0.719 0.000 2.304 320 I HA 0.518 4.688 4.170 -0.000 0.000 0.291 320 I C 1.053 176.877 176.117 -0.489 0.000 1.018 320 I CA -1.067 59.826 61.300 -0.679 0.000 1.260 320 I CB 1.027 38.338 38.000 -1.147 0.000 1.390 320 I HN 0.452 nan 8.210 nan 0.000 0.475 321 A N 7.858 130.548 122.820 -0.217 0.000 2.981 321 A HA 0.113 4.433 4.320 -0.000 0.000 0.280 321 A C -0.116 177.493 177.584 0.041 0.000 1.743 321 A CA -0.454 51.600 52.037 0.030 0.000 1.430 321 A CB -0.790 18.285 19.000 0.125 0.000 1.085 321 A HN 0.721 nan 8.150 nan 0.000 0.597 322 W N 1.293 122.618 121.300 0.041 0.000 2.210 322 W HA 0.165 4.825 4.660 -0.000 0.000 0.330 322 W C 0.808 177.284 176.519 -0.073 0.000 1.334 322 W CA -0.389 56.908 57.345 -0.081 0.000 1.227 322 W CB 0.335 29.775 29.460 -0.034 0.000 1.178 322 W HN 0.786 nan 8.180 nan 0.000 0.560 323 N N 1.816 120.581 118.700 0.108 0.000 2.850 323 N HA -0.284 4.456 4.740 -0.000 0.000 0.249 323 N C -0.532 175.016 175.510 0.064 0.000 1.060 323 N CA 1.442 54.517 53.050 0.041 0.000 0.825 323 N CB -1.863 36.695 38.487 0.119 0.000 1.132 323 N HN 0.757 nan 8.380 nan 0.000 0.564 324 N N -1.030 117.707 118.700 0.062 0.000 2.686 324 N HA -0.241 4.499 4.740 -0.000 0.000 0.261 324 N C -1.131 174.433 175.510 0.088 0.000 1.001 324 N CA 0.762 53.869 53.050 0.096 0.000 0.764 324 N CB -0.440 38.092 38.487 0.075 0.000 0.898 324 N HN 0.294 nan 8.380 nan 0.000 0.544 325 L N 0.667 121.948 121.223 0.096 0.000 2.506 325 L HA 0.643 4.983 4.340 -0.000 0.000 0.257 325 L C -1.297 175.611 176.870 0.064 0.000 0.964 325 L CA -0.552 54.319 54.840 0.051 0.000 0.836 325 L CB 2.093 44.213 42.059 0.102 0.000 1.384 325 L HN 0.095 nan 8.230 nan 0.000 0.410 326 L N 2.658 123.840 121.223 -0.069 0.000 2.371 326 L HA 0.580 4.920 4.340 -0.000 0.000 0.262 326 L C -1.564 175.189 176.870 -0.194 0.000 1.006 326 L CA -0.548 54.261 54.840 -0.051 0.000 0.818 326 L CB 2.434 44.405 42.059 -0.146 0.000 1.354 326 L HN 0.418 nan 8.230 nan 0.000 0.415 327 F N 2.659 122.489 119.950 -0.200 0.000 2.499 327 F HA 0.439 4.966 4.527 -0.000 0.000 0.333 327 F C -0.568 175.121 175.800 -0.185 0.000 1.138 327 F CA -0.458 57.396 58.000 -0.243 0.000 0.945 327 F CB 1.837 40.633 39.000 -0.340 0.000 1.181 327 F HN 0.076 nan 8.300 nan 0.000 0.435 328 L N 3.950 125.162 121.223 -0.019 0.000 2.294 328 L HA 0.551 4.891 4.340 -0.000 0.000 0.283 328 L C -0.325 176.489 176.870 -0.094 0.000 1.015 328 L CA -0.117 54.747 54.840 0.040 0.000 0.831 328 L CB 1.197 43.406 42.059 0.251 0.000 1.217 328 L HN 0.494 nan 8.230 nan 0.000 0.420 329 T N 4.605 119.094 114.554 -0.108 0.000 2.853 329 T HA 0.534 4.884 4.350 -0.000 0.000 0.317 329 T C -0.402 174.260 174.700 -0.064 0.000 1.059 329 T CA -0.336 61.678 62.100 -0.143 0.000 0.954 329 T CB 0.602 69.377 68.868 -0.154 0.000 0.994 329 T HN 0.255 nan 8.240 nan 0.000 0.479 330 V N 2.755 122.607 119.914 -0.103 0.000 2.444 330 V HA 0.843 4.963 4.120 -0.000 0.000 0.294 330 V C 0.407 176.516 176.094 0.026 0.000 1.022 330 V CA -0.681 61.647 62.300 0.047 0.000 0.850 330 V CB 1.849 33.769 31.823 0.162 0.000 0.992 330 V HN 0.959 nan 8.190 nan 0.000 0.426 331 G N 3.733 112.592 108.800 0.098 0.000 2.687 331 G HA2 0.770 4.730 3.960 -0.000 0.000 0.301 331 G HA3 0.770 4.730 3.960 -0.000 0.000 0.301 331 G C -1.712 173.223 174.900 0.058 0.000 1.416 331 G CA -0.415 44.672 45.100 -0.022 0.000 1.005 331 G HN 0.730 nan 8.290 nan 0.000 0.509 332 D N 0.986 121.411 120.400 0.041 0.000 2.886 332 D HA 0.080 4.720 4.640 -0.000 0.000 0.216 332 D C -0.435 175.873 176.300 0.014 0.000 1.256 332 D CA -0.752 53.290 54.000 0.071 0.000 0.844 332 D CB 1.583 42.494 40.800 0.185 0.000 1.669 332 D HN 0.365 nan 8.370 nan 0.000 0.513 333 N N 0.826 119.533 118.700 0.012 0.000 2.270 333 N HA -0.019 4.721 4.740 -0.000 0.000 0.198 333 N C 0.790 176.313 175.510 0.021 0.000 1.117 333 N CA -0.038 53.014 53.050 0.004 0.000 0.845 333 N CB 0.205 38.686 38.487 -0.010 0.000 0.980 333 N HN 0.302 nan 8.380 nan 0.000 0.486 334 T N 1.055 115.629 114.554 0.032 0.000 2.668 334 T HA -0.029 4.321 4.350 -0.000 0.000 0.262 334 T C 1.748 176.448 174.700 0.000 0.000 1.045 334 T CA 0.973 63.093 62.100 0.034 0.000 1.152 334 T CB 0.087 68.997 68.868 0.069 0.000 0.864 334 T HN 0.133 nan 8.240 nan 0.000 0.419 335 R N 1.245 121.720 120.500 -0.043 0.000 2.083 335 R HA 0.035 4.375 4.340 -0.000 0.000 0.237 335 R C 1.716 177.978 176.300 -0.064 0.000 1.137 335 R CA 0.605 56.657 56.100 -0.081 0.000 0.951 335 R CB -1.470 28.730 30.300 -0.167 0.000 0.851 335 R HN 0.447 nan 8.270 nan 0.000 0.434 336 G N 0.761 109.548 108.800 -0.023 0.000 2.305 336 G HA2 0.146 4.106 3.960 -0.000 0.000 0.243 336 G HA3 0.146 4.106 3.960 -0.000 0.000 0.243 336 G C -0.677 174.253 174.900 0.051 0.000 1.288 336 G CA 0.282 45.409 45.100 0.045 0.000 0.901 336 G HN 0.125 nan 8.290 nan 0.000 0.516 337 T N 2.303 116.861 114.554 0.006 0.000 2.993 337 T HA 0.246 4.596 4.350 -0.000 0.000 0.312 337 T C 0.047 174.766 174.700 0.032 0.000 1.115 337 T CA -0.662 61.455 62.100 0.028 0.000 1.027 337 T CB 1.139 69.999 68.868 -0.012 0.000 1.116 337 T HN 0.638 nan 8.240 nan 0.000 0.464 338 N N 1.238 119.992 118.700 0.090 0.000 2.467 338 N HA 0.493 5.233 4.740 -0.000 0.000 0.262 338 N C -1.039 174.432 175.510 -0.066 0.000 1.234 338 N CA -0.747 52.322 53.050 0.032 0.000 0.952 338 N CB 0.674 39.180 38.487 0.032 0.000 1.158 338 N HN 0.193 nan 8.380 nan 0.000 0.463 339 L N 1.298 122.423 121.223 -0.162 0.000 2.349 339 L HA 0.339 4.679 4.340 -0.000 0.000 0.278 339 L C -0.060 176.752 176.870 -0.097 0.000 0.996 339 L CA -0.397 54.382 54.840 -0.102 0.000 0.825 339 L CB 1.061 43.071 42.059 -0.082 0.000 1.243 339 L HN 0.657 nan 8.230 nan 0.000 0.412 340 T N 3.085 117.648 114.554 0.015 0.000 2.902 340 T HA 0.828 5.178 4.350 -0.000 0.000 0.280 340 T C 0.146 174.914 174.700 0.113 0.000 0.992 340 T CA -0.575 61.591 62.100 0.110 0.000 1.015 340 T CB 1.274 70.230 68.868 0.146 0.000 1.044 340 T HN 0.492 nan 8.240 nan 0.000 0.520 341 I N 0.317 120.986 120.570 0.165 0.000 3.181 341 I HA 0.532 4.702 4.170 -0.000 0.000 0.311 341 I C -0.947 175.253 176.117 0.138 0.000 1.287 341 I CA -1.193 60.197 61.300 0.150 0.000 0.958 341 I CB 2.737 40.858 38.000 0.201 0.000 1.294 341 I HN 0.929 nan 8.210 nan 0.000 0.467 342 S N 1.852 117.612 115.700 0.100 0.000 2.609 342 S HA 0.613 5.083 4.470 -0.000 0.000 0.250 342 S C -1.138 173.496 174.600 0.057 0.000 1.112 342 S CA -0.669 57.587 58.200 0.093 0.000 1.102 342 S CB 0.838 64.122 63.200 0.140 0.000 1.124 342 S HN 0.299 nan 8.310 nan 0.000 0.460 343 V N 2.264 122.171 119.914 -0.012 0.000 2.532 343 V HA 0.856 4.976 4.120 -0.000 0.000 0.295 343 V C 0.958 177.061 176.094 0.015 0.000 1.041 343 V CA -0.649 61.654 62.300 0.005 0.000 0.926 343 V CB 1.372 33.193 31.823 -0.004 0.000 0.992 343 V HN 1.140 nan 8.190 nan 0.000 0.457 344 A N 2.632 125.475 122.820 0.038 0.000 2.440 344 A HA 0.387 4.707 4.320 -0.000 0.000 0.251 344 A C 1.341 178.934 177.584 0.014 0.000 1.089 344 A CA 0.327 52.391 52.037 0.045 0.000 0.779 344 A CB 0.278 19.303 19.000 0.042 0.000 1.022 344 A HN 1.303 nan 8.150 nan 0.000 0.492 345 S N 0.549 116.250 115.700 0.001 0.000 2.595 345 S HA -0.043 4.427 4.470 -0.000 0.000 0.235 345 S C 0.199 174.797 174.600 -0.003 0.000 0.974 345 S CA 1.431 59.620 58.200 -0.018 0.000 0.942 345 S CB -0.123 63.052 63.200 -0.042 0.000 0.766 345 S HN 0.688 nan 8.310 nan 0.000 0.536 346 D N -0.263 120.141 120.400 0.008 0.000 2.498 346 D HA 0.330 4.970 4.640 -0.000 0.000 0.223 346 D C 1.388 177.698 176.300 0.016 0.000 1.125 346 D CA 0.779 54.785 54.000 0.010 0.000 0.835 346 D CB 0.718 41.523 40.800 0.008 0.000 1.086 346 D HN 0.442 nan 8.370 nan 0.000 0.510 347 G N 0.117 108.929 108.800 0.021 0.000 2.194 347 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.236 347 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.236 347 G C 0.457 175.370 174.900 0.023 0.000 0.987 347 G CA 0.362 45.476 45.100 0.024 0.000 0.635 347 G HN 0.270 nan 8.290 nan 0.000 0.520 348 T N 3.565 118.131 114.554 0.021 0.000 2.807 348 T HA 0.607 4.957 4.350 -0.000 0.000 0.279 348 T C -2.203 172.510 174.700 0.023 0.000 0.993 348 T CA -0.739 61.373 62.100 0.020 0.000 0.970 348 T CB 2.591 71.468 68.868 0.016 0.000 0.950 348 T HN 0.220 nan 8.240 nan 0.000 0.441 349 P HA 0.044 nan 4.420 nan 0.000 0.263 349 P C -0.479 176.837 177.300 0.026 0.000 1.175 349 P CA -0.135 62.979 63.100 0.023 0.000 0.761 349 P CB 0.461 32.171 31.700 0.017 0.000 0.794 350 L N 2.833 124.076 121.223 0.034 0.000 2.462 350 L HA 0.049 4.389 4.340 -0.000 0.000 0.272 350 L C 1.799 178.693 176.870 0.039 0.000 1.166 350 L CA -0.048 54.816 54.840 0.041 0.000 0.880 350 L CB -0.366 41.729 42.059 0.060 0.000 1.142 350 L HN 0.391 nan 8.230 nan 0.000 0.473 351 T N 0.859 115.434 114.554 0.034 0.000 3.014 351 T HA -0.032 4.318 4.350 -0.000 0.000 0.263 351 T C 0.616 175.342 174.700 0.044 0.000 1.078 351 T CA 0.910 63.029 62.100 0.032 0.000 1.135 351 T CB 0.071 68.954 68.868 0.024 0.000 0.895 351 T HN 0.609 nan 8.240 nan 0.000 0.480 352 E N -0.518 119.714 120.200 0.054 0.000 2.359 352 E HA 0.404 4.754 4.350 -0.000 0.000 0.266 352 E C -1.805 174.866 176.600 0.117 0.000 0.920 352 E CA -0.996 55.450 56.400 0.077 0.000 0.788 352 E CB 1.298 31.030 29.700 0.053 0.000 1.279 352 E HN 0.164 nan 8.360 nan 0.000 0.438 353 Y N 2.536 122.851 120.300 0.025 0.000 2.454 353 Y HA 0.282 4.832 4.550 -0.000 0.000 0.345 353 Y C -1.091 174.864 175.900 0.092 0.000 0.970 353 Y CA -0.295 57.831 58.100 0.044 0.000 1.204 353 Y CB 0.441 38.909 38.460 0.014 0.000 1.122 353 Y HN 0.374 nan 8.280 nan 0.000 0.514 354 D N 2.436 122.577 120.400 -0.431 0.000 2.299 354 D HA 0.188 4.828 4.640 -0.000 0.000 0.243 354 D C 0.478 176.518 176.300 -0.434 0.000 0.982 354 D CA -0.213 53.579 54.000 -0.347 0.000 0.924 354 D CB 2.186 42.900 40.800 -0.145 0.000 1.238 354 D HN 0.607 nan 8.370 nan 0.000 0.484 355 S N -0.834 114.683 115.700 -0.305 0.000 2.527 355 S HA -0.089 4.381 4.470 -0.000 0.000 0.222 355 S C 1.596 175.964 174.600 -0.386 0.000 0.985 355 S CA 0.273 58.297 58.200 -0.293 0.000 0.921 355 S CB -0.020 63.089 63.200 -0.152 0.000 0.772 355 S HN 0.470 nan 8.310 nan 0.000 0.529 356 S N 1.287 116.825 115.700 -0.270 0.000 2.497 356 S HA 0.220 4.690 4.470 -0.000 0.000 0.221 356 S C 1.658 176.131 174.600 -0.211 0.000 1.037 356 S CA -0.368 57.692 58.200 -0.234 0.000 0.920 356 S CB -0.092 63.024 63.200 -0.141 0.000 0.800 356 S HN 0.141 nan 8.310 nan 0.000 0.505 357 K N 1.999 122.317 120.400 -0.137 0.000 2.057 357 K HA 0.074 4.394 4.320 -0.000 0.000 0.207 357 K C 0.594 177.208 176.600 0.024 0.000 1.049 357 K CA 0.658 56.927 56.287 -0.029 0.000 0.931 357 K CB -0.686 31.836 32.500 0.037 0.000 0.714 357 K HN 0.742 nan 8.250 nan 0.000 0.440 358 F N 1.339 121.227 119.950 -0.104 0.000 2.405 358 F HA 0.370 4.897 4.527 -0.000 0.000 0.355 358 F C -0.470 175.259 175.800 -0.118 0.000 1.121 358 F CA -1.205 56.743 58.000 -0.087 0.000 1.112 358 F CB 0.163 39.142 39.000 -0.035 0.000 1.126 358 F HN -0.190 nan 8.300 nan 0.000 0.481 359 N N 3.294 121.910 118.700 -0.141 0.000 2.419 359 N HA 0.353 5.093 4.740 -0.000 0.000 0.264 359 N C -1.121 174.193 175.510 -0.326 0.000 1.031 359 N CA -0.844 52.018 53.050 -0.313 0.000 0.951 359 N CB 1.977 40.200 38.487 -0.440 0.000 1.101 359 N HN 0.453 nan 8.380 nan 0.000 0.488 360 V N 3.619 123.417 119.914 -0.193 0.000 2.455 360 V HA 0.102 4.222 4.120 -0.000 0.000 0.273 360 V C -0.211 175.918 176.094 0.059 0.000 1.045 360 V CA 0.037 62.329 62.300 -0.014 0.000 0.976 360 V CB -0.560 31.313 31.823 0.083 0.000 0.993 360 V HN 0.605 nan 8.190 nan 0.000 0.475 361 Y N 3.022 123.411 120.300 0.148 0.000 2.534 361 Y HA 0.541 5.091 4.550 -0.000 0.000 0.329 361 Y C 0.001 176.050 175.900 0.250 0.000 1.154 361 Y CA -1.074 57.120 58.100 0.158 0.000 1.192 361 Y CB 2.068 40.596 38.460 0.114 0.000 1.275 361 Y HN 0.575 nan 8.280 nan 0.000 0.491 362 H N 1.955 121.218 119.070 0.323 0.000 2.658 362 H HA 0.480 5.036 4.556 -0.000 0.000 0.337 362 H C -1.293 174.149 175.328 0.190 0.000 1.009 362 H CA -0.889 55.315 56.048 0.260 0.000 1.231 362 H CB 0.581 30.559 29.762 0.360 0.000 1.508 362 H HN 0.413 nan 8.280 nan 0.000 0.517 363 R N 3.025 123.492 120.500 -0.055 0.000 2.533 363 R HA 0.256 4.596 4.340 -0.000 0.000 0.288 363 R C -1.392 174.876 176.300 -0.053 0.000 1.039 363 R CA -0.772 55.320 56.100 -0.014 0.000 0.909 363 R CB 1.156 31.467 30.300 0.018 0.000 1.195 363 R HN 0.857 nan 8.270 nan 0.000 0.438 364 H N 1.896 120.893 119.070 -0.123 0.000 2.821 364 H HA 0.757 5.313 4.556 -0.000 0.000 0.373 364 H C -1.093 174.199 175.328 -0.060 0.000 1.165 364 H CA -0.718 55.259 56.048 -0.119 0.000 1.154 364 H CB 1.729 31.401 29.762 -0.151 0.000 1.765 364 H HN 0.451 nan 8.280 nan 0.000 0.549 365 M N 3.169 122.541 119.600 -0.381 0.000 2.324 365 M HA 0.338 4.818 4.480 -0.000 0.000 0.288 365 M C -1.515 174.654 176.300 -0.218 0.000 1.097 365 M CA -0.772 54.442 55.300 -0.143 0.000 0.928 365 M CB 2.664 35.208 32.600 -0.094 0.000 1.648 365 M HN 0.467 nan 8.290 nan 0.000 0.460 366 E N 2.214 122.408 120.200 -0.010 0.000 2.199 366 E HA 0.480 4.830 4.350 -0.000 0.000 0.269 366 E C -1.425 175.141 176.600 -0.057 0.000 0.899 366 E CA -0.512 55.859 56.400 -0.049 0.000 0.772 366 E CB 2.964 32.748 29.700 0.141 0.000 1.155 366 E HN 0.709 nan 8.360 nan 0.000 0.408 367 E N 2.692 122.710 120.200 -0.304 0.000 2.234 367 E HA 0.422 4.772 4.350 -0.000 0.000 0.266 367 E C -1.373 174.912 176.600 -0.525 0.000 0.877 367 E CA -0.428 55.829 56.400 -0.238 0.000 0.758 367 E CB 1.019 30.641 29.700 -0.131 0.000 1.170 367 E HN 0.340 nan 8.360 nan 0.000 0.415 368 Y N 1.968 122.246 120.300 -0.037 0.000 2.659 368 Y HA 0.574 5.124 4.550 -0.000 0.000 0.333 368 Y C -0.125 175.685 175.900 -0.151 0.000 1.064 368 Y CA -0.971 57.069 58.100 -0.099 0.000 1.141 368 Y CB 1.927 40.331 38.460 -0.094 0.000 1.316 368 Y HN 0.429 nan 8.280 nan 0.000 0.509 369 K N 0.868 121.279 120.400 0.019 0.000 2.546 369 K HA 0.689 5.009 4.320 -0.000 0.000 0.264 369 K C -2.376 174.160 176.600 -0.106 0.000 0.937 369 K CA -0.537 55.710 56.287 -0.066 0.000 0.833 369 K CB 1.799 34.281 32.500 -0.030 0.000 1.378 369 K HN 0.697 nan 8.250 nan 0.000 0.432 370 L N 2.149 123.284 121.223 -0.147 0.000 2.410 370 L HA 0.791 5.131 4.340 -0.000 0.000 0.270 370 L C -1.019 175.739 176.870 -0.186 0.000 0.983 370 L CA -0.986 53.749 54.840 -0.176 0.000 0.822 370 L CB 2.146 44.151 42.059 -0.089 0.000 1.285 370 L HN 0.799 nan 8.230 nan 0.000 0.409 371 A N 2.985 125.537 122.820 -0.447 0.000 2.381 371 A HA 0.884 5.204 4.320 -0.000 0.000 0.299 371 A C -1.481 175.669 177.584 -0.725 0.000 1.049 371 A CA -0.293 51.504 52.037 -0.399 0.000 0.715 371 A CB 0.990 19.878 19.000 -0.186 0.000 1.222 371 A HN 0.458 nan 8.150 nan 0.000 0.428 372 F N 1.848 121.596 119.950 -0.337 0.000 2.563 372 F HA 0.607 5.134 4.527 -0.000 0.000 0.316 372 F C 0.100 175.727 175.800 -0.289 0.000 1.076 372 F CA -1.059 56.792 58.000 -0.249 0.000 0.921 372 F CB 1.939 40.802 39.000 -0.228 0.000 1.209 372 F HN 0.277 nan 8.300 nan 0.000 0.462 373 I N 4.694 125.300 120.570 0.060 0.000 2.503 373 I HA 0.278 4.448 4.170 -0.000 0.000 0.277 373 I C -0.523 175.620 176.117 0.043 0.000 1.078 373 I CA -0.241 61.094 61.300 0.058 0.000 1.184 373 I CB 0.167 38.317 38.000 0.250 0.000 1.353 373 I HN 0.419 nan 8.210 nan 0.000 0.490 374 L N 5.170 126.334 121.223 -0.098 0.000 2.421 374 L HA 0.514 4.854 4.340 -0.000 0.000 0.263 374 L C 0.558 177.347 176.870 -0.134 0.000 1.122 374 L CA -0.556 54.172 54.840 -0.187 0.000 0.804 374 L CB 0.793 42.503 42.059 -0.582 0.000 1.150 374 L HN 0.524 nan 8.230 nan 0.000 0.457 375 E N 0.985 121.138 120.200 -0.079 0.000 2.369 375 E HA 0.567 4.917 4.350 -0.000 0.000 0.270 375 E C -1.455 175.251 176.600 0.177 0.000 0.909 375 E CA -1.046 55.261 56.400 -0.156 0.000 0.775 375 E CB 2.174 31.537 29.700 -0.561 0.000 1.270 375 E HN 0.249 nan 8.360 nan 0.000 0.445 376 L N 1.691 123.001 121.223 0.146 0.000 2.371 376 L HA 0.454 4.794 4.340 -0.000 0.000 0.272 376 L C -0.976 175.863 176.870 -0.051 0.000 1.124 376 L CA -0.121 54.757 54.840 0.063 0.000 0.816 376 L CB 0.781 42.879 42.059 0.066 0.000 1.129 376 L HN 0.883 nan 8.230 nan 0.000 0.448 377 C N 1.307 120.544 119.300 -0.105 0.000 2.716 377 C HA 0.672 5.132 4.460 -0.000 0.000 0.366 377 C C -0.204 174.742 174.990 -0.073 0.000 1.073 377 C CA -1.012 57.959 59.018 -0.078 0.000 1.260 377 C CB 0.269 27.960 27.740 -0.082 0.000 1.755 377 C HN 0.858 nan 8.230 nan 0.000 0.475 378 S N 1.937 117.610 115.700 -0.046 0.000 2.452 378 S HA 0.635 5.105 4.470 -0.000 0.000 0.284 378 S C -0.025 174.594 174.600 0.032 0.000 1.171 378 S CA -0.422 57.745 58.200 -0.055 0.000 1.064 378 S CB 0.914 64.071 63.200 -0.072 0.000 0.967 378 S HN 2.108 nan 8.310 nan 0.000 0.484 379 V N 1.024 120.999 119.914 0.100 0.000 2.509 379 V HA 0.527 4.647 4.120 -0.000 0.000 0.284 379 V C 0.056 176.183 176.094 0.055 0.000 1.047 379 V CA -0.746 61.675 62.300 0.201 0.000 0.952 379 V CB 0.526 32.612 31.823 0.437 0.000 0.988 379 V HN 0.911 nan 8.190 nan 0.000 0.469 380 E N 4.060 124.302 120.200 0.071 0.000 2.392 380 E HA 0.366 4.716 4.350 -0.000 0.000 0.259 380 E C -0.617 175.955 176.600 -0.047 0.000 1.108 380 E CA -0.481 55.923 56.400 0.007 0.000 0.916 380 E CB 1.090 30.814 29.700 0.040 0.000 0.989 380 E HN 0.615 nan 8.360 nan 0.000 0.432 381 I N 2.711 123.230 120.570 -0.085 0.000 2.833 381 I HA 0.138 4.308 4.170 -0.000 0.000 0.286 381 I C -0.359 175.713 176.117 -0.076 0.000 1.287 381 I CA -0.131 61.094 61.300 -0.125 0.000 1.046 381 I CB 0.184 38.061 38.000 -0.204 0.000 1.612 381 I HN 0.323 nan 8.210 nan 0.000 0.585 382 T N 2.007 116.536 114.554 -0.043 0.000 2.928 382 T HA 0.460 4.810 4.350 -0.000 0.000 0.284 382 T C 1.606 176.291 174.700 -0.025 0.000 1.008 382 T CA -0.025 62.061 62.100 -0.024 0.000 1.057 382 T CB 2.308 71.176 68.868 -0.000 0.000 1.018 382 T HN 0.529 nan 8.240 nan 0.000 0.493 383 A N 1.782 124.590 122.820 -0.020 0.000 1.915 383 A HA -0.276 4.044 4.320 -0.000 0.000 0.220 383 A C 2.242 179.822 177.584 -0.006 0.000 1.198 383 A CA 2.503 54.530 52.037 -0.017 0.000 0.647 383 A CB -0.988 18.006 19.000 -0.010 0.000 0.825 383 A HN 0.942 nan 8.150 nan 0.000 0.456 384 Q N -0.581 119.223 119.800 0.007 0.000 2.020 384 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 384 Q C 2.152 178.176 176.000 0.040 0.000 0.982 384 Q CA 2.977 58.795 55.803 0.025 0.000 0.838 384 Q CB -0.511 28.244 28.738 0.029 0.000 0.899 384 Q HN 0.761 nan 8.270 nan 0.000 0.423 385 T N -1.805 112.762 114.554 0.022 0.000 2.777 385 T HA -0.078 4.272 4.350 -0.000 0.000 0.266 385 T C 1.932 176.611 174.700 -0.035 0.000 1.040 385 T CA 1.252 63.351 62.100 -0.000 0.000 1.141 385 T CB -0.760 68.105 68.868 -0.006 0.000 0.868 385 T HN 0.145 nan 8.240 nan 0.000 0.444 386 V N 2.200 122.087 119.914 -0.046 0.000 2.219 386 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 386 V C 3.103 179.169 176.094 -0.046 0.000 1.053 386 V CA 2.293 64.553 62.300 -0.065 0.000 1.009 386 V CB -1.448 30.335 31.823 -0.068 0.000 0.636 386 V HN 0.735 nan 8.190 nan 0.000 0.445 387 S N -0.230 115.458 115.700 -0.020 0.000 2.377 387 S HA -0.429 4.041 4.470 -0.000 0.000 0.224 387 S C 2.064 176.650 174.600 -0.023 0.000 1.042 387 S CA 2.642 60.833 58.200 -0.015 0.000 1.086 387 S CB -0.772 62.434 63.200 0.009 0.000 0.995 387 S HN 0.818 nan 8.310 nan 0.000 0.428 388 H N 1.168 120.202 119.070 -0.060 0.000 2.337 388 H HA -0.166 4.390 4.556 -0.000 0.000 0.288 388 H C 1.830 177.107 175.328 -0.086 0.000 1.117 388 H CA 2.469 58.484 56.048 -0.055 0.000 1.205 388 H CB -0.781 28.953 29.762 -0.047 0.000 1.353 388 H HN 0.473 nan 8.280 nan 0.000 0.480 389 L N 0.171 121.235 121.223 -0.266 0.000 2.353 389 L HA -0.180 4.160 4.340 -0.000 0.000 0.220 389 L C 2.564 179.272 176.870 -0.271 0.000 1.133 389 L CA 0.760 55.403 54.840 -0.329 0.000 0.798 389 L CB -0.392 41.508 42.059 -0.265 0.000 0.922 389 L HN 0.382 nan 8.230 nan 0.000 0.445 390 Q N -0.016 119.665 119.800 -0.198 0.000 2.112 390 Q HA -0.183 4.157 4.340 -0.000 0.000 0.206 390 Q C 2.273 178.183 176.000 -0.151 0.000 0.987 390 Q CA 1.964 57.682 55.803 -0.141 0.000 0.858 390 Q CB -0.586 28.094 28.738 -0.097 0.000 0.905 390 Q HN 0.580 nan 8.270 nan 0.000 0.420 391 G N -0.046 108.639 108.800 -0.192 0.000 2.603 391 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.214 391 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.214 391 G C 1.443 176.242 174.900 -0.169 0.000 1.140 391 G CA 0.196 45.202 45.100 -0.157 0.000 0.800 391 G HN 0.266 nan 8.290 nan 0.000 0.533 392 L N 0.673 121.740 121.223 -0.260 0.000 2.027 392 L HA 0.389 4.729 4.340 -0.000 0.000 0.206 392 L C 1.067 177.852 176.870 -0.142 0.000 1.074 392 L CA 1.472 56.205 54.840 -0.179 0.000 0.745 392 L CB -0.141 41.795 42.059 -0.206 0.000 0.898 392 L HN 0.364 nan 8.230 nan 0.000 0.433 393 M N -3.634 115.848 119.600 -0.197 0.000 2.365 393 M HA 0.383 4.863 4.480 -0.000 0.000 0.288 393 M C -2.424 173.783 176.300 -0.154 0.000 1.152 393 M CA -1.343 53.857 55.300 -0.166 0.000 0.948 393 M CB 1.487 33.958 32.600 -0.214 0.000 1.729 393 M HN -0.361 nan 8.290 nan 0.000 0.487 394 P HA -0.077 nan 4.420 nan 0.000 0.217 394 P C 1.086 178.341 177.300 -0.076 0.000 1.151 394 P CA 1.932 64.982 63.100 -0.082 0.000 0.828 394 P CB 0.101 31.765 31.700 -0.061 0.000 0.788 395 S N -0.129 115.524 115.700 -0.078 0.000 2.377 395 S HA -0.051 4.419 4.470 -0.000 0.000 0.223 395 S C 2.188 176.742 174.600 -0.077 0.000 1.030 395 S CA 0.720 58.885 58.200 -0.058 0.000 0.970 395 S CB -1.744 61.436 63.200 -0.034 0.000 0.830 395 S HN 0.007 nan 8.310 nan 0.000 0.473 396 V N 1.891 121.709 119.914 -0.160 0.000 2.720 396 V HA 0.049 4.169 4.120 -0.000 0.000 0.256 396 V C 1.883 177.903 176.094 -0.123 0.000 1.082 396 V CA 1.301 63.441 62.300 -0.266 0.000 1.101 396 V CB -0.658 30.834 31.823 -0.551 0.000 0.693 396 V HN 0.559 nan 8.190 nan 0.000 0.479 397 L N -0.450 120.754 121.223 -0.032 0.000 2.395 397 L HA -0.015 4.325 4.340 -0.000 0.000 0.218 397 L C 2.318 179.255 176.870 0.112 0.000 1.130 397 L CA 1.337 56.240 54.840 0.106 0.000 0.826 397 L CB -0.281 41.785 42.059 0.012 0.000 0.941 397 L HN 0.430 nan 8.230 nan 0.000 0.451 398 E N 0.427 120.662 120.200 0.058 0.000 2.024 398 E HA -0.133 4.217 4.350 -0.000 0.000 0.190 398 E C 1.873 178.528 176.600 0.091 0.000 0.974 398 E CA 0.647 57.080 56.400 0.055 0.000 0.810 398 E CB 0.247 29.959 29.700 0.020 0.000 0.775 398 E HN 0.357 nan 8.360 nan 0.000 0.453 399 N N 0.430 119.178 118.700 0.080 0.000 2.149 399 N HA -0.191 4.549 4.740 -0.000 0.000 0.188 399 N C 1.420 177.046 175.510 0.193 0.000 1.019 399 N CA 0.792 53.899 53.050 0.095 0.000 0.857 399 N CB -0.432 38.086 38.487 0.050 0.000 0.997 399 N HN 0.364 nan 8.380 nan 0.000 0.426 400 W N 1.457 122.751 121.300 -0.011 0.000 2.424 400 W HA -0.113 4.547 4.660 -0.000 0.000 0.264 400 W C 0.474 176.984 176.519 -0.014 0.000 1.229 400 W CA 0.924 58.260 57.345 -0.015 0.000 1.208 400 W CB -0.400 29.036 29.460 -0.040 0.000 1.127 400 W HN 0.296 nan 8.180 nan 0.000 0.588 401 E N -1.932 118.381 120.200 0.188 0.000 3.547 401 E HA -0.298 4.052 4.350 -0.000 0.000 0.309 401 E C 1.159 177.767 176.600 0.012 0.000 0.855 401 E CA 0.683 57.126 56.400 0.071 0.000 1.122 401 E CB -2.188 27.541 29.700 0.048 0.000 1.569 401 E HN 0.481 nan 8.360 nan 0.000 0.429 402 I N -2.482 118.097 120.570 0.015 0.000 2.286 402 I HA 0.062 4.232 4.170 -0.000 0.000 0.245 402 I C 1.155 177.254 176.117 -0.030 0.000 1.104 402 I CA 1.543 62.813 61.300 -0.050 0.000 1.397 402 I CB 0.150 38.110 38.000 -0.067 0.000 1.072 402 I HN 0.048 nan 8.210 nan 0.000 0.417 403 G N 1.442 110.240 108.800 -0.004 0.000 2.760 403 G HA2 0.629 4.589 3.960 -0.000 0.000 0.285 403 G HA3 0.629 4.589 3.960 -0.000 0.000 0.285 403 G C -1.245 173.655 174.900 0.000 0.000 1.496 403 G CA -0.258 44.837 45.100 -0.009 0.000 1.026 403 G HN 0.088 nan 8.290 nan 0.000 0.536 404 V N 1.945 121.858 119.914 -0.002 0.000 3.167 404 V HA 0.198 4.318 4.120 -0.000 0.000 0.293 404 V C 0.438 176.531 176.094 -0.002 0.000 1.379 404 V CA -0.763 61.537 62.300 0.001 0.000 1.019 404 V CB 1.999 33.827 31.823 0.009 0.000 1.115 404 V HN 0.646 nan 8.190 nan 0.000 0.442 405 Q N 1.493 121.292 119.800 -0.002 0.000 2.084 405 Q HA 0.111 4.451 4.340 -0.000 0.000 0.202 405 Q C -1.645 174.353 176.000 -0.003 0.000 0.978 405 Q CA 1.769 57.570 55.803 -0.003 0.000 0.844 405 Q CB -0.477 28.259 28.738 -0.003 0.000 0.898 405 Q HN 0.749 nan 8.270 nan 0.000 0.426 406 P HA 0.327 nan 4.420 nan 0.000 0.357 406 P C -2.935 174.367 177.300 0.003 0.000 1.392 406 P CA -1.886 61.214 63.100 0.000 0.000 1.388 406 P CB 2.240 33.940 31.700 -0.000 0.000 2.484 407 P HA 0.019 nan 4.420 nan 0.000 0.268 407 P C 0.938 178.243 177.300 0.009 0.000 1.205 407 P CA 0.285 63.390 63.100 0.008 0.000 0.771 407 P CB 0.618 32.322 31.700 0.005 0.000 0.858 408 T N 1.120 115.683 114.554 0.014 0.000 2.788 408 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 408 T C 1.955 176.661 174.700 0.010 0.000 1.044 408 T CA 2.102 64.210 62.100 0.013 0.000 1.139 408 T CB -0.413 68.466 68.868 0.019 0.000 0.867 408 T HN 0.467 nan 8.240 nan 0.000 0.454 409 S N 0.120 115.826 115.700 0.011 0.000 2.374 409 S HA -0.162 4.308 4.470 -0.000 0.000 0.227 409 S C 2.326 176.927 174.600 0.001 0.000 1.037 409 S CA 2.245 60.449 58.200 0.006 0.000 1.024 409 S CB -0.971 62.234 63.200 0.007 0.000 0.861 409 S HN 0.627 nan 8.310 nan 0.000 0.456 410 S N 0.276 115.977 115.700 0.001 0.000 2.382 410 S HA 0.036 4.506 4.470 -0.000 0.000 0.228 410 S C 0.750 175.348 174.600 -0.003 0.000 1.027 410 S CA 0.634 58.833 58.200 -0.002 0.000 0.991 410 S CB -0.659 62.541 63.200 -0.001 0.000 0.823 410 S HN 0.558 nan 8.310 nan 0.000 0.469 411 I N 2.291 122.860 120.570 -0.001 0.000 2.710 411 I HA 0.075 4.245 4.170 -0.000 0.000 0.286 411 I C -0.309 175.804 176.117 -0.006 0.000 1.181 411 I CA -0.271 61.027 61.300 -0.003 0.000 1.430 411 I CB 0.497 38.497 38.000 0.000 0.000 1.367 411 I HN 0.196 nan 8.210 nan 0.000 0.577 412 L N 7.704 128.921 121.223 -0.009 0.000 2.276 412 L HA 0.318 4.658 4.340 -0.000 0.000 0.286 412 L C -0.112 176.749 176.870 -0.015 0.000 1.024 412 L CA -0.018 54.813 54.840 -0.016 0.000 0.826 412 L CB 0.677 42.724 42.059 -0.019 0.000 1.211 412 L HN 0.622 nan 8.230 nan 0.000 0.422 413 E N 2.132 122.322 120.200 -0.016 0.000 2.221 413 E HA 0.486 4.836 4.350 -0.000 0.000 0.268 413 E C -1.181 175.402 176.600 -0.028 0.000 0.933 413 E CA -1.047 55.347 56.400 -0.010 0.000 0.809 413 E CB 1.445 31.146 29.700 0.002 0.000 1.190 413 E HN 0.347 nan 8.360 nan 0.000 0.406 414 D N 1.070 121.459 120.400 -0.018 0.000 2.368 414 D HA 0.295 4.935 4.640 -0.000 0.000 0.240 414 D C -0.495 175.771 176.300 -0.056 0.000 1.169 414 D CA 0.216 54.175 54.000 -0.068 0.000 0.906 414 D CB 1.197 42.011 40.800 0.022 0.000 1.187 414 D HN 0.418 nan 8.370 nan 0.000 0.435 415 T N 0.585 115.017 114.554 -0.204 0.000 3.579 415 T HA 0.286 4.636 4.350 -0.000 0.000 0.360 415 T C -1.183 173.334 174.700 -0.305 0.000 1.285 415 T CA -0.598 61.445 62.100 -0.095 0.000 1.127 415 T CB 0.363 69.184 68.868 -0.078 0.000 1.244 415 T HN 0.129 nan 8.240 nan 0.000 0.476 416 Y N 0.998 121.278 120.300 -0.033 0.000 2.654 416 Y HA 0.783 5.333 4.550 -0.000 0.000 0.327 416 Y C 0.639 176.487 175.900 -0.086 0.000 1.122 416 Y CA -1.437 56.636 58.100 -0.046 0.000 1.227 416 Y CB 1.234 39.683 38.460 -0.018 0.000 1.370 416 Y HN 0.425 nan 8.280 nan 0.000 0.528 417 R N 0.258 120.779 120.500 0.035 0.000 2.534 417 R HA 0.348 4.688 4.340 -0.000 0.000 0.301 417 R C -1.661 174.547 176.300 -0.152 0.000 0.961 417 R CA -0.616 55.348 56.100 -0.227 0.000 0.871 417 R CB 0.416 30.439 30.300 -0.462 0.000 1.170 417 R HN 0.841 nan 8.270 nan 0.000 0.446 418 Y N 3.521 123.860 120.300 0.066 0.000 3.233 418 Y HA -0.225 4.325 4.550 -0.000 0.000 0.201 418 Y C 0.763 176.687 175.900 0.039 0.000 1.486 418 Y CA -0.173 57.953 58.100 0.044 0.000 1.326 418 Y CB -1.560 36.923 38.460 0.039 0.000 1.460 418 Y HN 0.680 nan 8.280 nan 0.000 0.512 419 I N 0.039 120.701 120.570 0.154 0.000 3.164 419 I HA -0.201 3.969 4.170 -0.000 0.000 0.278 419 I C 1.391 177.527 176.117 0.031 0.000 1.320 419 I CA 1.078 62.416 61.300 0.063 0.000 1.422 419 I CB -0.104 37.922 38.000 0.043 0.000 1.066 419 I HN 0.358 nan 8.210 nan 0.000 0.503 420 E N 0.136 120.375 120.200 0.065 0.000 2.478 420 E HA 0.043 4.393 4.350 -0.000 0.000 0.194 420 E C 0.975 177.586 176.600 0.018 0.000 1.045 420 E CA 0.005 56.423 56.400 0.031 0.000 0.868 420 E CB 0.023 29.744 29.700 0.034 0.000 0.885 420 E HN 0.169 nan 8.360 nan 0.000 0.505 421 S N 1.120 116.844 115.700 0.039 0.000 2.600 421 S HA 0.103 4.573 4.470 -0.000 0.000 0.265 421 S C -1.585 173.014 174.600 -0.003 0.000 1.325 421 S CA -1.179 57.033 58.200 0.019 0.000 1.002 421 S CB 0.624 63.855 63.200 0.053 0.000 0.921 421 S HN -0.051 nan 8.310 nan 0.000 0.554 422 P HA 0.198 nan 4.420 nan 0.000 0.245 422 P C 0.911 178.203 177.300 -0.013 0.000 1.203 422 P CA 0.433 63.524 63.100 -0.014 0.000 0.792 422 P CB -0.038 31.653 31.700 -0.014 0.000 0.997 423 A N 0.310 123.130 122.820 0.001 0.000 1.898 423 A HA -0.001 4.319 4.320 -0.000 0.000 0.216 423 A C 1.412 178.988 177.584 -0.013 0.000 1.181 423 A CA 1.339 53.382 52.037 0.009 0.000 0.620 423 A CB -1.504 17.519 19.000 0.038 0.000 0.819 423 A HN 0.186 nan 8.150 nan 0.000 0.442 424 T N 0.983 115.518 114.554 -0.033 0.000 2.849 424 T HA 0.406 4.756 4.350 -0.000 0.000 0.284 424 T C 0.298 174.892 174.700 -0.177 0.000 1.004 424 T CA -0.386 61.629 62.100 -0.142 0.000 1.021 424 T CB 0.867 69.633 68.868 -0.170 0.000 1.013 424 T HN 0.579 nan 8.240 nan 0.000 0.527 425 K N -0.036 120.184 120.400 -0.299 0.000 2.219 425 K HA 0.353 4.673 4.320 -0.000 0.000 0.258 425 K C -0.220 176.277 176.600 -0.173 0.000 1.008 425 K CA -0.743 55.414 56.287 -0.216 0.000 0.928 425 K CB 0.133 32.490 32.500 -0.238 0.000 0.983 425 K HN 0.413 nan 8.250 nan 0.000 0.484 426 C N 1.018 120.255 119.300 -0.105 0.000 2.649 426 C HA 0.183 4.643 4.460 -0.000 0.000 0.377 426 C C 2.034 176.987 174.990 -0.061 0.000 1.321 426 C CA 0.269 59.245 59.018 -0.070 0.000 2.368 426 C CB 0.231 27.944 27.740 -0.046 0.000 2.597 426 C HN 0.987 nan 8.230 nan 0.000 0.678 427 A N 1.487 124.285 122.820 -0.037 0.000 2.125 427 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 427 A C 2.179 179.753 177.584 -0.016 0.000 1.156 427 A CA 2.016 54.041 52.037 -0.020 0.000 0.671 427 A CB -0.705 18.290 19.000 -0.009 0.000 0.794 427 A HN 1.075 nan 8.150 nan 0.000 0.459 428 S N 1.065 116.752 115.700 -0.021 0.000 2.370 428 S HA -0.225 4.245 4.470 -0.000 0.000 0.226 428 S C 1.550 176.142 174.600 -0.014 0.000 1.033 428 S CA 1.385 59.575 58.200 -0.018 0.000 1.011 428 S CB -0.750 62.438 63.200 -0.020 0.000 0.852 428 S HN 0.568 nan 8.310 nan 0.000 0.457 429 N N 1.633 120.323 118.700 -0.017 0.000 2.513 429 N HA -0.024 4.716 4.740 -0.000 0.000 0.187 429 N C 1.449 176.964 175.510 0.008 0.000 1.056 429 N CA 0.912 53.958 53.050 -0.006 0.000 0.907 429 N CB -0.737 37.743 38.487 -0.011 0.000 0.954 429 N HN 0.408 nan 8.380 nan 0.000 0.445 430 V N 1.178 121.097 119.914 0.007 0.000 2.720 430 V HA -0.144 3.976 4.120 -0.000 0.000 0.256 430 V C 2.043 178.144 176.094 0.010 0.000 1.082 430 V CA 0.873 63.183 62.300 0.016 0.000 1.101 430 V CB -0.440 31.392 31.823 0.014 0.000 0.693 430 V HN 0.309 nan 8.190 nan 0.000 0.479 431 I N 0.984 121.555 120.570 0.002 0.000 2.567 431 I HA -0.121 4.049 4.170 -0.000 0.000 0.257 431 I C 0.231 176.347 176.117 -0.001 0.000 1.184 431 I CA 0.902 62.200 61.300 -0.004 0.000 1.451 431 I CB -1.518 36.474 38.000 -0.012 0.000 1.089 431 I HN 0.430 nan 8.210 nan 0.000 0.441 432 P HA -0.112 nan 4.420 nan 0.000 0.218 432 P C 0.725 178.031 177.300 0.009 0.000 1.148 432 P CA 1.119 64.223 63.100 0.007 0.000 0.822 432 P CB -0.107 31.602 31.700 0.015 0.000 0.784 433 A N 0.846 123.674 122.820 0.012 0.000 2.466 433 A HA 0.066 4.386 4.320 -0.000 0.000 0.238 433 A C 0.360 177.950 177.584 0.010 0.000 1.074 433 A CA -0.210 51.835 52.037 0.013 0.000 0.774 433 A CB -0.358 18.652 19.000 0.016 0.000 1.015 433 A HN 0.099 nan 8.150 nan 0.000 0.498 434 K N 0.898 121.305 120.400 0.012 0.000 2.511 434 K HA 0.110 4.430 4.320 -0.000 0.000 0.280 434 K C -0.160 176.447 176.600 0.012 0.000 1.008 434 K CA 0.556 56.850 56.287 0.011 0.000 1.050 434 K CB 0.238 32.748 32.500 0.017 0.000 0.889 434 K HN 0.760 nan 8.250 nan 0.000 0.484 435 E N 2.170 122.373 120.200 0.004 0.000 2.151 435 E HA 0.082 4.432 4.350 -0.000 0.000 0.275 435 E C -0.844 175.761 176.600 0.009 0.000 0.936 435 E CA -1.142 55.259 56.400 0.001 0.000 0.777 435 E CB 0.753 30.443 29.700 -0.016 0.000 1.108 435 E HN 0.425 nan 8.360 nan 0.000 0.401 436 D N 3.851 124.269 120.400 0.029 0.000 2.548 436 D HA -0.087 4.553 4.640 -0.000 0.000 0.231 436 D C -1.509 174.817 176.300 0.044 0.000 1.142 436 D CA -1.089 52.956 54.000 0.075 0.000 0.866 436 D CB 0.430 41.286 40.800 0.092 0.000 1.190 436 D HN 0.335 nan 8.370 nan 0.000 0.469 437 P HA -0.107 nan 4.420 nan 0.000 0.217 437 P C 0.632 177.812 177.300 -0.201 0.000 1.154 437 P CA 0.797 63.824 63.100 -0.122 0.000 0.841 437 P CB -0.125 31.426 31.700 -0.249 0.000 0.790 438 Y N 0.222 120.546 120.300 0.039 0.000 2.506 438 Y HA 0.339 4.889 4.550 -0.000 0.000 0.333 438 Y C 2.311 178.119 175.900 -0.154 0.000 1.177 438 Y CA -0.020 58.120 58.100 0.066 0.000 1.292 438 Y CB -1.408 37.248 38.460 0.326 0.000 1.124 438 Y HN -0.011 nan 8.280 nan 0.000 0.507 439 A N 0.102 122.863 122.820 -0.097 0.000 2.015 439 A HA -0.040 4.280 4.320 -0.000 0.000 0.219 439 A C 2.527 179.956 177.584 -0.258 0.000 1.163 439 A CA 1.420 53.368 52.037 -0.148 0.000 0.646 439 A CB -0.959 17.976 19.000 -0.108 0.000 0.806 439 A HN 0.546 nan 8.150 nan 0.000 0.448 440 G N -0.280 108.230 108.800 -0.483 0.000 2.402 440 G HA2 0.081 4.041 3.960 -0.000 0.000 0.216 440 G HA3 0.081 4.041 3.960 -0.000 0.000 0.216 440 G C 0.582 175.236 174.900 -0.411 0.000 1.162 440 G CA 0.455 45.235 45.100 -0.532 0.000 0.777 440 G HN 0.450 nan 8.290 nan 0.000 0.539 441 F N 0.527 120.476 119.950 -0.001 0.000 2.380 441 F HA 0.605 5.132 4.527 -0.000 0.000 0.321 441 F C 0.544 176.235 175.800 -0.182 0.000 1.103 441 F CA -1.102 56.903 58.000 0.008 0.000 1.067 441 F CB 1.197 40.291 39.000 0.157 0.000 1.265 441 F HN -0.072 nan 8.300 nan 0.000 0.517 442 K N 1.354 121.744 120.400 -0.016 0.000 2.508 442 K HA 0.662 4.982 4.320 -0.000 0.000 0.260 442 K C -1.879 174.594 176.600 -0.212 0.000 0.949 442 K CA -0.664 55.426 56.287 -0.329 0.000 0.834 442 K CB 2.105 34.521 32.500 -0.139 0.000 1.365 442 K HN 0.724 nan 8.250 nan 0.000 0.437 443 F N -1.842 118.179 119.950 0.119 0.000 2.779 443 F HA 0.501 5.028 4.527 -0.000 0.000 0.316 443 F C -0.701 175.202 175.800 0.172 0.000 1.164 443 F CA -1.454 56.618 58.000 0.120 0.000 0.924 443 F CB 0.302 39.367 39.000 0.109 0.000 1.348 443 F HN 0.442 nan 8.300 nan 0.000 0.467 444 W N 3.359 124.824 121.300 0.275 0.000 2.343 444 W HA 0.165 4.825 4.660 -0.000 0.000 0.337 444 W C -0.524 176.133 176.519 0.230 0.000 1.320 444 W CA 0.111 57.591 57.345 0.226 0.000 1.290 444 W CB 0.432 30.082 29.460 0.316 0.000 1.206 444 W HN 0.634 nan 8.180 nan 0.000 0.565 445 N N 6.097 125.163 118.700 0.611 0.000 2.444 445 N HA 0.338 5.078 4.740 -0.000 0.000 0.262 445 N C -1.230 174.487 175.510 0.344 0.000 0.974 445 N CA -0.323 52.937 53.050 0.351 0.000 0.933 445 N CB 0.380 38.971 38.487 0.174 0.000 1.137 445 N HN 0.313 nan 8.380 nan 0.000 0.498 446 I N 1.996 122.651 120.570 0.142 0.000 2.354 446 I HA 0.197 4.367 4.170 -0.000 0.000 0.286 446 I C -0.084 176.016 176.117 -0.028 0.000 1.007 446 I CA -0.847 60.457 61.300 0.006 0.000 1.167 446 I CB 1.350 39.226 38.000 -0.206 0.000 1.320 446 I HN 0.359 nan 8.210 nan 0.000 0.458 447 D N 7.158 127.560 120.400 0.003 0.000 2.249 447 D HA 0.280 4.920 4.640 -0.000 0.000 0.246 447 D C 0.123 176.405 176.300 -0.030 0.000 1.114 447 D CA -0.057 53.938 54.000 -0.008 0.000 0.854 447 D CB 1.778 42.592 40.800 0.024 0.000 1.132 447 D HN 0.500 nan 8.370 nan 0.000 0.461 448 L N 3.708 124.898 121.223 -0.055 0.000 2.959 448 L HA 0.161 4.501 4.340 -0.000 0.000 0.259 448 L C 2.002 178.856 176.870 -0.026 0.000 1.185 448 L CA -0.199 54.599 54.840 -0.069 0.000 0.998 448 L CB 0.389 42.352 42.059 -0.161 0.000 1.337 448 L HN 0.250 nan 8.230 nan 0.000 0.555 449 K N 0.592 121.003 120.400 0.019 0.000 2.281 449 K HA -0.173 4.147 4.320 -0.000 0.000 0.203 449 K C 1.130 177.791 176.600 0.102 0.000 1.046 449 K CA 1.391 57.725 56.287 0.078 0.000 0.938 449 K CB 0.189 32.741 32.500 0.088 0.000 0.737 449 K HN 0.470 nan 8.250 nan 0.000 0.458 450 E N -0.393 119.851 120.200 0.074 0.000 2.391 450 E HA 0.040 4.390 4.350 -0.000 0.000 0.206 450 E C 0.132 176.785 176.600 0.088 0.000 0.851 450 E CA -0.018 56.436 56.400 0.090 0.000 1.059 450 E CB 0.485 30.229 29.700 0.074 0.000 1.065 450 E HN 0.036 nan 8.360 nan 0.000 0.512 451 K N 1.697 122.133 120.400 0.060 0.000 3.006 451 K HA 0.168 4.488 4.320 -0.000 0.000 0.265 451 K C -0.804 175.812 176.600 0.026 0.000 1.279 451 K CA -0.058 56.268 56.287 0.065 0.000 1.229 451 K CB -0.009 32.521 32.500 0.050 0.000 1.555 451 K HN -0.076 nan 8.250 nan 0.000 0.300 452 L N -0.575 120.682 121.223 0.056 0.000 2.410 452 L HA 0.431 4.771 4.340 -0.000 0.000 0.270 452 L C -0.743 176.214 176.870 0.145 0.000 0.983 452 L CA -0.210 54.647 54.840 0.029 0.000 0.822 452 L CB 2.070 44.123 42.059 -0.011 0.000 1.285 452 L HN 0.096 nan 8.230 nan 0.000 0.409 453 S N 2.922 118.706 115.700 0.140 0.000 2.811 453 S HA 0.654 5.124 4.470 -0.000 0.000 0.311 453 S C -0.399 174.283 174.600 0.136 0.000 1.152 453 S CA -0.322 58.008 58.200 0.216 0.000 0.864 453 S CB 1.359 64.740 63.200 0.302 0.000 1.226 453 S HN 0.756 nan 8.310 nan 0.000 0.541 454 L N 1.075 122.313 121.223 0.025 0.000 3.086 454 L HA 0.607 4.947 4.340 -0.000 0.000 0.274 454 L C -1.139 175.667 176.870 -0.107 0.000 1.184 454 L CA 0.318 54.998 54.840 -0.268 0.000 1.002 454 L CB 0.534 42.446 42.059 -0.245 0.000 1.383 454 L HN 0.459 nan 8.230 nan 0.000 0.582 455 D N 0.748 121.187 120.400 0.065 0.000 2.479 455 D HA 0.260 4.900 4.640 -0.000 0.000 0.218 455 D C 1.449 177.825 176.300 0.128 0.000 1.131 455 D CA 0.042 54.084 54.000 0.071 0.000 0.916 455 D CB 0.861 41.703 40.800 0.070 0.000 1.022 455 D HN 0.129 nan 8.370 nan 0.000 0.515 456 L N 0.889 122.129 121.223 0.029 0.000 2.042 456 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 456 L C 1.932 178.842 176.870 0.066 0.000 1.076 456 L CA 1.183 56.042 54.840 0.031 0.000 0.749 456 L CB -0.138 41.857 42.059 -0.106 0.000 0.893 456 L HN 0.313 nan 8.230 nan 0.000 0.432 457 D N -0.532 119.878 120.400 0.018 0.000 2.133 457 D HA -0.226 4.414 4.640 -0.000 0.000 0.195 457 D C 2.204 178.477 176.300 -0.045 0.000 0.997 457 D CA 1.221 55.218 54.000 -0.004 0.000 0.840 457 D CB 0.099 40.885 40.800 -0.024 0.000 0.947 457 D HN 0.146 nan 8.370 nan 0.000 0.452 458 Q N -0.475 119.258 119.800 -0.111 0.000 2.062 458 Q HA -0.129 4.211 4.340 -0.000 0.000 0.209 458 Q C 0.737 176.455 176.000 -0.470 0.000 0.996 458 Q CA 0.936 56.528 55.803 -0.352 0.000 0.859 458 Q CB -0.735 27.629 28.738 -0.624 0.000 0.920 458 Q HN 0.369 nan 8.270 nan 0.000 0.415 459 F N 0.810 120.613 119.950 -0.245 0.000 2.375 459 F HA 0.094 4.621 4.527 -0.000 0.000 0.313 459 F C -0.888 174.800 175.800 -0.187 0.000 1.176 459 F CA -1.934 55.865 58.000 -0.336 0.000 1.142 459 F CB -0.616 37.821 39.000 -0.938 0.000 1.275 459 F HN -0.040 nan 8.300 nan 0.000 0.544 460 P HA -0.186 nan 4.420 nan 0.000 0.214 460 P C 1.711 179.093 177.300 0.137 0.000 1.162 460 P CA 1.328 64.480 63.100 0.085 0.000 0.879 460 P CB 0.167 31.919 31.700 0.087 0.000 0.786 461 L N -0.053 121.296 121.223 0.209 0.000 2.549 461 L HA 0.110 4.450 4.340 -0.000 0.000 0.229 461 L C 2.180 179.259 176.870 0.350 0.000 1.158 461 L CA 1.400 56.407 54.840 0.278 0.000 0.842 461 L CB -1.479 40.766 42.059 0.309 0.000 0.952 461 L HN -0.064 nan 8.230 nan 0.000 0.452 462 G N -0.804 108.145 108.800 0.250 0.000 2.425 462 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.213 462 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.213 462 G C 1.711 176.744 174.900 0.220 0.000 1.201 462 G CA 0.385 45.613 45.100 0.214 0.000 0.799 462 G HN 0.326 nan 8.290 nan 0.000 0.534 463 R N -0.301 120.287 120.500 0.147 0.000 2.096 463 R HA -0.022 4.318 4.340 -0.000 0.000 0.240 463 R C 2.701 179.095 176.300 0.157 0.000 1.139 463 R CA 1.004 57.173 56.100 0.114 0.000 0.952 463 R CB -0.241 30.099 30.300 0.066 0.000 0.854 463 R HN 0.049 nan 8.270 nan 0.000 0.436 464 R N 0.005 120.627 120.500 0.204 0.000 2.170 464 R HA -0.151 4.189 4.340 -0.000 0.000 0.242 464 R C 1.864 178.373 176.300 0.348 0.000 1.145 464 R CA 1.356 57.609 56.100 0.255 0.000 0.984 464 R CB -0.468 29.997 30.300 0.275 0.000 0.869 464 R HN 0.270 nan 8.270 nan 0.000 0.455 465 F N 0.425 120.489 119.950 0.189 0.000 2.104 465 F HA -0.039 4.488 4.527 -0.000 0.000 0.288 465 F C 2.123 177.817 175.800 -0.176 0.000 1.107 465 F CA 0.885 58.863 58.000 -0.038 0.000 1.208 465 F CB -0.380 38.639 39.000 0.031 0.000 1.033 465 F HN -0.156 nan 8.300 nan 0.000 0.478 466 L N 0.610 122.024 121.223 0.319 0.000 2.081 466 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 466 L C 2.771 179.616 176.870 -0.042 0.000 1.080 466 L CA 1.084 55.999 54.840 0.125 0.000 0.754 466 L CB -1.432 40.690 42.059 0.106 0.000 0.893 466 L HN 0.355 nan 8.230 nan 0.000 0.433 467 A N -0.066 122.743 122.820 -0.018 0.000 1.859 467 A HA -0.343 3.977 4.320 -0.000 0.000 0.217 467 A C 2.292 179.807 177.584 -0.114 0.000 1.198 467 A CA 2.248 54.261 52.037 -0.040 0.000 0.629 467 A CB -0.787 18.218 19.000 0.007 0.000 0.830 467 A HN 0.502 nan 8.150 nan 0.000 0.446 468 Q N -1.420 118.261 119.800 -0.198 0.000 2.135 468 Q HA -0.297 4.043 4.340 -0.000 0.000 0.204 468 Q C 2.240 178.049 176.000 -0.319 0.000 0.981 468 Q CA 1.995 57.628 55.803 -0.283 0.000 0.856 468 Q CB -0.144 28.312 28.738 -0.469 0.000 0.902 468 Q HN 0.698 nan 8.270 nan 0.000 0.425 469 Q N -0.812 118.756 119.800 -0.386 0.000 2.084 469 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 469 Q C 1.224 177.123 176.000 -0.169 0.000 0.978 469 Q CA 2.290 57.909 55.803 -0.308 0.000 0.844 469 Q CB -0.195 28.376 28.738 -0.279 0.000 0.898 469 Q HN 0.566 nan 8.270 nan 0.000 0.426 470 G N -2.056 106.669 108.800 -0.125 0.000 2.316 470 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.203 470 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.203 470 G C 0.181 175.045 174.900 -0.060 0.000 0.999 470 G CA -0.002 45.048 45.100 -0.084 0.000 0.649 470 G HN 0.812 nan 8.290 nan 0.000 0.489 471 A N 1.116 123.901 122.820 -0.058 0.000 2.922 471 A HA 0.706 5.026 4.320 -0.000 0.000 0.298 471 A C 0.729 178.297 177.584 -0.026 0.000 1.588 471 A CA 0.865 52.880 52.037 -0.038 0.000 1.288 471 A CB -0.348 18.631 19.000 -0.035 0.000 1.130 471 A HN 1.681 nan 8.150 nan 0.000 0.557 472 G N -0.545 108.240 108.800 -0.026 0.000 2.530 472 G HA2 0.417 4.377 3.960 -0.000 0.000 0.316 472 G HA3 0.417 4.377 3.960 -0.000 0.000 0.316 472 G C 0.169 175.061 174.900 -0.013 0.000 1.298 472 G CA -0.259 44.831 45.100 -0.017 0.000 0.948 472 G HN 0.490 nan 8.290 nan 0.000 0.486 473 C N 0.979 120.274 119.300 -0.008 0.000 2.780 473 C HA 0.540 5.000 4.460 -0.000 0.000 0.267 473 C C 1.388 176.374 174.990 -0.007 0.000 1.266 473 C CA 0.415 59.427 59.018 -0.009 0.000 1.709 473 C CB -0.475 27.259 27.740 -0.010 0.000 1.975 473 C HN 0.682 nan 8.230 nan 0.000 0.582 474 S N 0.543 116.241 115.700 -0.002 0.000 2.461 474 S HA 0.310 4.780 4.470 -0.000 0.000 0.216 474 S C -0.579 174.023 174.600 0.003 0.000 1.201 474 S CA -0.172 58.029 58.200 0.001 0.000 1.171 474 S CB 0.469 63.673 63.200 0.007 0.000 1.169 474 S HN 0.341 nan 8.310 nan 0.000 0.456 475 T N 3.391 117.943 114.554 -0.004 0.000 2.869 475 T HA 0.248 4.598 4.350 -0.000 0.000 0.295 475 T C 0.497 175.198 174.700 0.001 0.000 0.987 475 T CA -0.338 61.758 62.100 -0.007 0.000 1.109 475 T CB 1.149 70.008 68.868 -0.015 0.000 0.932 475 T HN 0.489 nan 8.240 nan 0.000 0.518 476 V N 5.830 125.748 119.914 0.006 0.000 2.054 476 V HA 0.213 4.333 4.120 -0.000 0.000 0.243 476 V C 0.567 176.664 176.094 0.004 0.000 1.480 476 V CA 0.273 62.581 62.300 0.012 0.000 1.440 476 V CB -1.322 30.518 31.823 0.028 0.000 1.489 476 V HN 0.548 nan 8.190 nan 0.000 0.502 477 R N 3.708 124.208 120.500 0.000 0.000 2.510 477 R HA 0.373 4.713 4.340 -0.000 0.000 0.294 477 R C -0.273 176.025 176.300 -0.003 0.000 1.056 477 R CA -0.466 55.632 56.100 -0.003 0.000 0.918 477 R CB 2.050 32.346 30.300 -0.007 0.000 1.187 477 R HN 0.692 nan 8.270 nan 0.000 0.437 478 K N 2.221 122.619 120.400 -0.003 0.000 2.954 478 K HA 0.407 4.727 4.320 -0.000 0.000 0.171 478 K C -0.367 176.230 176.600 -0.004 0.000 1.079 478 K CA -0.655 55.630 56.287 -0.003 0.000 0.908 478 K CB 1.141 33.639 32.500 -0.002 0.000 1.142 478 K HN 0.233 nan 8.250 nan 0.000 0.613 479 R N 2.296 122.793 120.500 -0.005 0.000 2.570 479 R HA 0.053 4.393 4.340 -0.000 0.000 0.277 479 R C -0.101 176.196 176.300 -0.005 0.000 1.039 479 R CA 0.154 56.250 56.100 -0.006 0.000 1.065 479 R CB 0.384 30.680 30.300 -0.007 0.000 0.964 479 R HN 0.624 nan 8.270 nan 0.000 0.428 480 R N 2.598 123.095 120.500 -0.005 0.000 2.480 480 R HA 0.437 4.777 4.340 -0.000 0.000 0.306 480 R C -0.767 175.530 176.300 -0.005 0.000 0.958 480 R CA -0.787 55.310 56.100 -0.005 0.000 0.861 480 R CB 1.149 31.446 30.300 -0.004 0.000 1.171 480 R HN 0.305 nan 8.270 nan 0.000 0.445 481 I N 1.631 122.198 120.570 -0.005 0.000 2.525 481 I HA 0.511 4.681 4.170 -0.000 0.000 0.301 481 I C 0.132 176.246 176.117 -0.005 0.000 0.992 481 I CA -0.438 60.859 61.300 -0.005 0.000 1.162 481 I CB 1.710 39.707 38.000 -0.005 0.000 1.332 481 I HN 0.877 nan 8.210 nan 0.000 0.458 482 S N 0.000 115.697 115.700 -0.004 0.000 2.498 482 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 482 S CA 0.000 58.198 58.200 -0.004 0.000 1.107 482 S CB 0.000 63.198 63.200 -0.004 0.000 0.593 482 S HN 0.000 nan 8.310 nan 0.000 0.517