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_D 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 0.000 177.651 177.584 0.112 0.000 1.274 2 A CA 0.000 52.069 52.037 0.053 0.000 0.836 2 A CB 0.000 19.029 19.000 0.049 0.000 0.831 3 L N -1.176 120.106 121.223 0.098 0.000 2.591 3 L HA 0.694 5.034 4.340 -0.000 0.000 0.257 3 L C -1.547 175.447 176.870 0.206 0.000 0.935 3 L CA -0.211 54.760 54.840 0.218 0.000 0.873 3 L CB 1.218 43.351 42.059 0.124 0.000 1.397 3 L HN 0.284 nan 8.230 nan 0.000 0.414 4 W N 2.997 124.301 121.300 0.006 0.000 2.520 4 W HA 0.827 5.487 4.660 -0.000 0.000 0.323 4 W C -0.016 176.508 176.519 0.007 0.000 1.062 4 W CA -0.491 56.858 57.345 0.007 0.000 1.215 4 W CB 1.334 30.798 29.460 0.006 0.000 1.340 4 W HN 0.519 nan 8.180 nan 0.000 0.516 5 Q N 0.802 120.725 119.800 0.205 0.000 2.893 5 Q HA 0.414 4.754 4.340 -0.000 0.000 0.331 5 Q C -1.110 174.952 176.000 0.104 0.000 0.893 5 Q CA -0.936 54.944 55.803 0.128 0.000 0.783 5 Q CB 0.911 29.697 28.738 0.080 0.000 1.440 5 Q HN 0.391 nan 8.270 nan 0.000 0.508 6 Q N 0.087 119.929 119.800 0.072 0.000 2.430 6 Q HA 0.731 5.071 4.340 -0.000 0.000 0.245 6 Q C -0.569 175.456 176.000 0.041 0.000 1.021 6 Q CA -0.043 55.795 55.803 0.057 0.000 0.867 6 Q CB 1.234 30.001 28.738 0.048 0.000 1.210 6 Q HN 0.795 nan 8.270 nan 0.000 0.487 7 G N 1.345 110.168 108.800 0.037 0.000 2.667 7 G HA2 0.465 4.425 3.960 -0.000 0.000 0.294 7 G HA3 0.465 4.425 3.960 -0.000 0.000 0.294 7 G C -1.768 173.147 174.900 0.026 0.000 1.467 7 G CA -0.434 44.684 45.100 0.029 0.000 0.852 7 G HN 0.347 nan 8.290 nan 0.000 0.521 8 Q N -0.166 119.652 119.800 0.030 0.000 2.418 8 Q HA 0.501 4.841 4.340 -0.000 0.000 0.282 8 Q C -1.059 174.975 176.000 0.056 0.000 1.044 8 Q CA -1.007 54.817 55.803 0.035 0.000 0.813 8 Q CB 2.098 30.854 28.738 0.031 0.000 1.428 8 Q HN 0.512 nan 8.270 nan 0.000 0.402 9 K N 3.412 123.857 120.400 0.075 0.000 2.257 9 K HA 0.244 4.564 4.320 -0.000 0.000 0.270 9 K C -0.990 175.700 176.600 0.149 0.000 1.098 9 K CA -0.403 55.974 56.287 0.151 0.000 0.943 9 K CB 0.202 32.791 32.500 0.148 0.000 1.316 9 K HN 0.394 nan 8.250 nan 0.000 0.447 10 L N 3.978 125.252 121.223 0.085 0.000 2.423 10 L HA 0.198 4.538 4.340 -0.000 0.000 0.249 10 L C -0.190 176.644 176.870 -0.060 0.000 1.276 10 L CA 0.046 54.892 54.840 0.010 0.000 1.199 10 L CB -1.082 40.951 42.059 -0.044 0.000 1.407 10 L HN 0.506 nan 8.230 nan 0.000 0.410 11 Y N -0.158 120.145 120.300 0.004 0.000 2.696 11 Y HA 0.330 4.880 4.550 -0.000 0.000 0.260 11 Y C 0.706 176.609 175.900 0.006 0.000 1.165 11 Y CA -0.610 57.492 58.100 0.005 0.000 1.189 11 Y CB 0.381 38.843 38.460 0.004 0.000 1.180 11 Y HN 0.239 nan 8.280 nan 0.000 0.538 12 L N 3.748 125.032 121.223 0.101 0.000 2.525 12 L HA 0.064 4.404 4.340 -0.000 0.000 0.278 12 L C -1.592 175.314 176.870 0.060 0.000 1.218 12 L CA -1.634 53.249 54.840 0.071 0.000 0.878 12 L CB -0.025 42.058 42.059 0.041 0.000 1.127 12 L HN 0.096 nan 8.230 nan 0.000 0.492 13 P HA 0.079 nan 4.420 nan 0.000 0.264 13 P C -2.321 174.999 177.300 0.034 0.000 1.183 13 P CA -0.813 62.317 63.100 0.050 0.000 0.763 13 P CB -0.267 31.458 31.700 0.042 0.000 0.807 14 P HA 0.071 nan 4.420 nan 0.000 0.273 14 P C -0.206 177.106 177.300 0.021 0.000 1.250 14 P CA -0.157 62.955 63.100 0.020 0.000 0.793 14 P CB 0.144 31.856 31.700 0.020 0.000 1.011 15 T N -1.278 113.286 114.554 0.017 0.000 2.870 15 T HA 0.257 4.607 4.350 -0.000 0.000 0.300 15 T C -1.899 172.813 174.700 0.020 0.000 0.989 15 T CA -1.372 60.739 62.100 0.017 0.000 1.139 15 T CB -0.644 68.232 68.868 0.014 0.000 0.920 15 T HN 0.334 nan 8.240 nan 0.000 0.537 16 P HA 0.182 nan 4.420 nan 0.000 0.262 16 P C -0.779 176.537 177.300 0.027 0.000 1.182 16 P CA -0.283 62.833 63.100 0.026 0.000 0.761 16 P CB 0.418 32.133 31.700 0.026 0.000 0.795 17 V N 3.234 123.166 119.914 0.030 0.000 2.513 17 V HA 0.204 4.324 4.120 -0.000 0.000 0.299 17 V C 0.775 176.894 176.094 0.041 0.000 1.035 17 V CA -0.677 61.642 62.300 0.031 0.000 0.889 17 V CB 1.599 33.439 31.823 0.029 0.000 0.988 17 V HN 0.736 nan 8.190 nan 0.000 0.440 18 S N 3.881 119.609 115.700 0.046 0.000 2.544 18 S HA 0.116 4.586 4.470 -0.000 0.000 0.290 18 S C -0.106 174.538 174.600 0.074 0.000 1.276 18 S CA -0.424 57.815 58.200 0.065 0.000 1.075 18 S CB -0.236 63.009 63.200 0.076 0.000 0.849 18 S HN 0.842 nan 8.310 nan 0.000 0.494 19 K N 2.387 122.836 120.400 0.081 0.000 2.227 19 K HA 0.491 4.811 4.320 -0.000 0.000 0.280 19 K C -0.295 176.382 176.600 0.128 0.000 1.041 19 K CA -1.032 55.307 56.287 0.086 0.000 0.905 19 K CB 1.432 33.972 32.500 0.066 0.000 1.068 19 K HN 0.436 nan 8.250 nan 0.000 0.470 20 V N 5.900 125.903 119.914 0.148 0.000 2.509 20 V HA -0.017 4.103 4.120 -0.000 0.000 0.297 20 V C 0.095 176.304 176.094 0.193 0.000 1.014 20 V CA -0.251 62.190 62.300 0.234 0.000 1.127 20 V CB -0.212 31.731 31.823 0.200 0.000 0.925 20 V HN 0.641 nan 8.190 nan 0.000 0.480 21 L N 6.940 128.274 121.223 0.185 0.000 2.464 21 L HA 0.272 4.612 4.340 -0.000 0.000 0.264 21 L C 0.541 177.444 176.870 0.054 0.000 1.199 21 L CA 0.164 55.022 54.840 0.030 0.000 0.818 21 L CB 0.497 42.467 42.059 -0.148 0.000 1.102 21 L HN 0.740 nan 8.230 nan 0.000 0.473 22 C N 0.799 120.075 119.300 -0.040 0.000 2.536 22 C HA 0.169 4.629 4.460 -0.000 0.000 0.396 22 C C 2.003 176.826 174.990 -0.278 0.000 1.279 22 C CA -0.357 58.616 59.018 -0.075 0.000 2.148 22 C CB 0.685 28.385 27.740 -0.066 0.000 2.584 22 C HN 0.990 nan 8.230 nan 0.000 0.579 23 S N 1.140 116.699 115.700 -0.234 0.000 2.400 23 S HA -0.236 4.234 4.470 -0.000 0.000 0.232 23 S C 1.575 175.828 174.600 -0.579 0.000 1.025 23 S CA 1.752 59.684 58.200 -0.447 0.000 0.993 23 S CB -0.530 62.626 63.200 -0.074 0.000 0.808 23 S HN 0.893 nan 8.310 nan 0.000 0.478 24 E N 1.184 121.188 120.200 -0.327 0.000 2.118 24 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 24 E C 1.698 178.146 176.600 -0.252 0.000 0.992 24 E CA 1.609 57.871 56.400 -0.229 0.000 0.804 24 E CB -0.422 29.197 29.700 -0.134 0.000 0.741 24 E HN 0.650 nan 8.360 nan 0.000 0.458 25 T N 0.117 114.475 114.554 -0.326 0.000 2.746 25 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 25 T C 1.187 175.820 174.700 -0.113 0.000 1.039 25 T CA 1.736 63.713 62.100 -0.205 0.000 1.142 25 T CB -0.324 68.444 68.868 -0.167 0.000 0.866 25 T HN 0.475 nan 8.240 nan 0.000 0.444 26 Y N -0.263 120.045 120.300 0.013 0.000 2.485 26 Y HA 0.660 5.210 4.550 -0.000 0.000 0.260 26 Y C 0.013 175.941 175.900 0.046 0.000 1.173 26 Y CA -1.330 56.785 58.100 0.027 0.000 1.252 26 Y CB -0.620 37.865 38.460 0.042 0.000 1.123 26 Y HN -0.137 nan 8.280 nan 0.000 0.524 27 V N 2.937 122.910 119.914 0.098 0.000 2.384 27 V HA 0.302 4.422 4.120 -0.000 0.000 0.287 27 V C -0.491 175.608 176.094 0.008 0.000 1.020 27 V CA -0.838 61.524 62.300 0.105 0.000 0.850 27 V CB 1.425 33.272 31.823 0.039 0.000 0.987 27 V HN 0.126 nan 8.190 nan 0.000 0.436 28 Q N 4.312 124.118 119.800 0.009 0.000 2.261 28 Q HA 0.467 4.807 4.340 -0.000 0.000 0.252 28 Q C -0.269 175.712 176.000 -0.033 0.000 0.915 28 Q CA -0.175 55.620 55.803 -0.013 0.000 0.915 28 Q CB 1.606 30.337 28.738 -0.012 0.000 1.204 28 Q HN 0.559 nan 8.270 nan 0.000 0.421 29 R N 2.269 122.750 120.500 -0.031 0.000 2.255 29 R HA 0.342 4.682 4.340 -0.000 0.000 0.326 29 R C 0.180 176.465 176.300 -0.025 0.000 0.986 29 R CA -0.755 55.318 56.100 -0.045 0.000 0.847 29 R CB 1.221 31.494 30.300 -0.046 0.000 1.111 29 R HN 0.265 nan 8.270 nan 0.000 0.452 30 K N 0.892 121.271 120.400 -0.034 0.000 2.155 30 K HA 0.136 4.456 4.320 -0.000 0.000 0.237 30 K C 0.803 177.403 176.600 0.000 0.000 1.040 30 K CA -0.186 56.101 56.287 -0.001 0.000 0.912 30 K CB 0.788 33.293 32.500 0.008 0.000 1.137 30 K HN 0.581 nan 8.250 nan 0.000 0.498 31 S N -0.143 115.598 115.700 0.069 0.000 2.506 31 S HA 0.272 4.742 4.470 -0.000 0.000 0.245 31 S C 0.164 174.929 174.600 0.276 0.000 1.088 31 S CA -0.603 57.708 58.200 0.184 0.000 1.099 31 S CB -0.593 62.734 63.200 0.210 0.000 0.805 31 S HN 0.281 nan 8.310 nan 0.000 0.461 32 I N 1.564 122.160 120.570 0.042 0.000 2.525 32 I HA 0.637 4.807 4.170 -0.000 0.000 0.301 32 I C -0.552 175.485 176.117 -0.134 0.000 0.992 32 I CA -0.867 60.521 61.300 0.147 0.000 1.162 32 I CB 0.791 38.917 38.000 0.210 0.000 1.332 32 I HN 0.123 nan 8.210 nan 0.000 0.458 33 F N 4.122 124.058 119.950 -0.024 0.000 2.577 33 F HA 0.668 5.195 4.527 -0.000 0.000 0.318 33 F C -0.675 174.947 175.800 -0.295 0.000 1.065 33 F CA -0.963 56.992 58.000 -0.075 0.000 0.929 33 F CB 1.412 40.263 39.000 -0.248 0.000 1.237 33 F HN 0.186 nan 8.300 nan 0.000 0.468 34 Y N -0.863 119.422 120.300 -0.025 0.000 2.609 34 Y HA 0.463 5.013 4.550 -0.000 0.000 0.342 34 Y C -0.961 174.847 175.900 -0.153 0.000 1.058 34 Y CA -1.173 56.862 58.100 -0.108 0.000 1.055 34 Y CB 2.071 40.359 38.460 -0.286 0.000 1.292 34 Y HN 0.622 nan 8.280 nan 0.000 0.476 35 H N 0.913 119.896 119.070 -0.145 0.000 2.708 35 H HA 0.765 5.321 4.556 -0.000 0.000 0.320 35 H C -1.429 173.678 175.328 -0.369 0.000 0.991 35 H CA -0.605 55.254 56.048 -0.314 0.000 1.243 35 H CB 0.827 30.231 29.762 -0.596 0.000 1.446 35 H HN 0.744 nan 8.280 nan 0.000 0.502 36 A N 5.048 127.485 122.820 -0.639 0.000 2.322 36 A HA 0.271 4.591 4.320 -0.000 0.000 0.327 36 A C -0.324 177.074 177.584 -0.310 0.000 1.394 36 A CA -0.678 51.145 52.037 -0.356 0.000 0.921 36 A CB 0.054 18.904 19.000 -0.250 0.000 1.153 36 A HN 0.834 nan 8.150 nan 0.000 0.523 37 E N 2.877 122.976 120.200 -0.169 0.000 2.113 37 E HA 0.399 4.749 4.350 -0.000 0.000 0.273 37 E C 0.092 176.721 176.600 0.047 0.000 0.924 37 E CA -0.440 55.977 56.400 0.029 0.000 0.764 37 E CB 0.860 30.755 29.700 0.324 0.000 1.104 37 E HN 0.620 nan 8.360 nan 0.000 0.406 38 T N 2.232 116.793 114.554 0.011 0.000 2.910 38 T HA 0.228 4.578 4.350 -0.000 0.000 0.293 38 T C 0.204 174.904 174.700 -0.001 0.000 1.015 38 T CA -0.949 61.139 62.100 -0.021 0.000 1.094 38 T CB 1.220 70.024 68.868 -0.108 0.000 0.968 38 T HN 0.352 nan 8.240 nan 0.000 0.521 39 E N 2.008 122.216 120.200 0.012 0.000 2.366 39 E HA 0.142 4.492 4.350 -0.000 0.000 0.266 39 E C 0.644 177.249 176.600 0.009 0.000 1.051 39 E CA -0.436 55.982 56.400 0.029 0.000 0.884 39 E CB 0.637 30.364 29.700 0.045 0.000 1.006 39 E HN 0.819 nan 8.360 nan 0.000 0.417 40 R N 1.892 122.402 120.500 0.017 0.000 2.500 40 R HA -0.007 4.333 4.340 -0.000 0.000 0.281 40 R C -0.434 175.894 176.300 0.048 0.000 0.953 40 R CA 0.362 56.471 56.100 0.015 0.000 1.108 40 R CB -0.293 30.018 30.300 0.019 0.000 0.901 40 R HN 0.301 nan 8.270 nan 0.000 0.410 41 L N 4.696 125.956 121.223 0.060 0.000 2.296 41 L HA 0.501 4.841 4.340 -0.000 0.000 0.286 41 L C -0.258 176.782 176.870 0.283 0.000 1.023 41 L CA -0.925 54.030 54.840 0.192 0.000 0.812 41 L CB 1.128 43.243 42.059 0.095 0.000 1.223 41 L HN 0.531 nan 8.230 nan 0.000 0.421 42 L N 2.494 123.896 121.223 0.298 0.000 2.341 42 L HA 0.877 5.217 4.340 -0.000 0.000 0.267 42 L C -0.356 176.669 176.870 0.258 0.000 1.009 42 L CA -0.569 54.414 54.840 0.238 0.000 0.819 42 L CB 2.438 44.571 42.059 0.124 0.000 1.323 42 L HN 0.673 nan 8.230 nan 0.000 0.425 43 T N -0.141 114.538 114.554 0.207 0.000 3.012 43 T HA 0.721 5.071 4.350 -0.000 0.000 0.330 43 T C -0.764 173.999 174.700 0.106 0.000 1.321 43 T CA -0.697 61.478 62.100 0.125 0.000 1.067 43 T CB 1.953 70.895 68.868 0.123 0.000 1.235 43 T HN 0.683 nan 8.240 nan 0.000 0.479 44 I N -1.245 119.365 120.570 0.065 0.000 3.095 44 I HA 0.985 5.155 4.170 -0.000 0.000 0.310 44 I C -0.166 175.982 176.117 0.053 0.000 1.196 44 I CA -1.028 60.314 61.300 0.070 0.000 0.985 44 I CB 1.915 39.945 38.000 0.050 0.000 1.250 44 I HN 1.248 nan 8.210 nan 0.000 0.446 45 G N 1.375 110.213 108.800 0.063 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 -2.151 172.768 174.900 0.031 0.000 1.295 45 G CA -0.923 44.200 45.100 0.039 0.000 0.869 45 G HN 1.122 nan 8.290 nan 0.000 0.522 46 H N 2.046 121.065 119.070 -0.085 0.000 2.723 46 H HA 0.496 5.052 4.556 -0.000 0.000 0.294 46 H C -0.988 174.232 175.328 -0.180 0.000 1.079 46 H CA -1.165 54.796 56.048 -0.145 0.000 1.411 46 H CB 1.882 31.525 29.762 -0.198 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 0.216 47 P C 0.780 177.839 177.300 -0.402 0.000 1.153 47 P CA 1.389 64.172 63.100 -0.528 0.000 0.848 47 P CB 0.165 31.391 31.700 -0.791 0.000 0.787 48 Y N 0.027 120.031 120.300 -0.494 0.000 2.145 48 Y HA -0.109 4.441 4.550 -0.000 0.000 0.286 48 Y C 1.317 177.340 175.900 0.206 0.000 1.145 48 Y CA 1.320 59.370 58.100 -0.084 0.000 1.148 48 Y CB -0.703 37.791 38.460 0.056 0.000 0.981 48 Y HN 0.082 nan 8.280 nan 0.000 0.507 49 Y N -4.264 116.305 120.300 0.448 0.000 2.624 49 Y HA 0.517 5.067 4.550 -0.000 0.000 0.334 49 Y C -3.309 172.717 175.900 0.209 0.000 1.155 49 Y CA -3.755 54.494 58.100 0.248 0.000 1.046 49 Y CB 0.431 39.000 38.460 0.182 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 -0.418 176.971 177.300 0.149 0.000 1.209 50 P CA 0.245 63.430 63.100 0.141 0.000 0.763 50 P CB 1.713 33.481 31.700 0.114 0.000 0.816 51 V N 2.880 122.813 119.914 0.032 0.000 2.973 51 V HA 0.487 4.607 4.120 -0.000 0.000 0.314 51 V C 0.683 176.783 176.094 0.010 0.000 1.066 51 V CA -0.235 62.064 62.300 -0.001 0.000 1.021 51 V CB 1.654 33.407 31.823 -0.118 0.000 1.076 51 V HN 0.637 nan 8.190 nan 0.000 0.462 52 S N 2.230 117.933 115.700 0.006 0.000 2.737 52 S HA 0.562 5.032 4.470 -0.000 0.000 0.269 52 S C -0.904 173.692 174.600 -0.006 0.000 1.150 52 S CA -0.576 57.626 58.200 0.003 0.000 1.077 52 S CB 0.454 63.664 63.200 0.016 0.000 1.075 52 S HN 0.656 nan 8.310 nan 0.000 0.476 53 I N 2.446 123.006 120.570 -0.016 0.000 2.362 53 I HA 0.898 5.068 4.170 -0.000 0.000 0.289 53 I C 0.813 176.926 176.117 -0.007 0.000 0.994 53 I CA 0.030 61.321 61.300 -0.015 0.000 1.158 53 I CB 0.947 38.929 38.000 -0.031 0.000 1.315 53 I HN 0.804 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 -0.267 3.693 3.960 -0.000 0.000 0.289 54 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.289 54 G C 0.495 175.395 174.900 0.000 0.000 1.169 54 G CA 0.542 45.642 45.100 0.001 0.000 0.980 54 G HN 1.629 nan 8.290 nan 0.000 0.550 55 A N -0.042 122.777 122.820 -0.001 0.000 2.564 55 A HA 0.647 4.967 4.320 -0.000 0.000 0.279 55 A C 0.704 178.286 177.584 -0.002 0.000 1.232 55 A CA 1.035 53.071 52.037 -0.001 0.000 0.950 55 A CB 0.214 19.214 19.000 -0.000 0.000 1.138 55 A HN 0.577 nan 8.150 nan 0.000 0.526 56 K N -0.302 120.096 120.400 -0.004 0.000 2.313 56 K HA 0.648 4.968 4.320 -0.000 0.000 0.235 56 K C 0.070 176.665 176.600 -0.008 0.000 1.035 56 K CA -0.348 55.934 56.287 -0.007 0.000 0.868 56 K CB 1.544 34.038 32.500 -0.009 0.000 1.232 56 K HN 0.256 nan 8.250 nan 0.000 0.459 57 T N -3.152 111.396 114.554 -0.009 0.000 2.841 57 T HA 0.648 4.998 4.350 -0.000 0.000 0.276 57 T C -0.681 174.010 174.700 -0.014 0.000 1.003 57 T CA -0.767 61.328 62.100 -0.007 0.000 0.995 57 T CB 1.124 69.991 68.868 -0.002 0.000 1.260 57 T HN 0.172 nan 8.240 nan 0.000 0.581 58 V N 2.328 122.236 119.914 -0.011 0.000 2.568 58 V HA 0.378 4.498 4.120 -0.000 0.000 0.276 58 V C -2.579 173.514 176.094 -0.001 0.000 1.002 58 V CA -1.613 60.678 62.300 -0.014 0.000 0.879 58 V CB 1.174 32.981 31.823 -0.026 0.000 1.040 58 V HN 0.902 nan 8.190 nan 0.000 0.457 59 P HA -0.022 nan 4.420 nan 0.000 0.261 59 P C -0.351 176.952 177.300 0.005 0.000 1.165 59 P CA -0.041 63.054 63.100 -0.007 0.000 0.759 59 P CB 0.560 32.240 31.700 -0.034 0.000 0.772 60 K N 2.874 123.285 120.400 0.018 0.000 2.167 60 K HA 0.268 4.588 4.320 -0.000 0.000 0.275 60 K C -0.740 175.838 176.600 -0.037 0.000 1.103 60 K CA -0.364 55.931 56.287 0.012 0.000 0.963 60 K CB -0.354 32.187 32.500 0.068 0.000 1.243 60 K HN 0.083 nan 8.250 nan 0.000 0.407 61 V N 3.612 123.491 119.914 -0.059 0.000 2.320 61 V HA 0.170 4.290 4.120 -0.000 0.000 0.265 61 V C 0.116 176.084 176.094 -0.210 0.000 1.048 61 V CA -0.401 61.864 62.300 -0.058 0.000 0.865 61 V CB 0.440 32.283 31.823 0.033 0.000 1.043 61 V HN 0.888 nan 8.190 nan 0.000 0.474 62 S N 4.090 119.647 115.700 -0.239 0.000 2.758 62 S HA 0.727 5.197 4.470 -0.000 0.000 0.292 62 S C 1.101 175.501 174.600 -0.335 0.000 1.131 62 S CA 0.132 58.075 58.200 -0.428 0.000 0.997 62 S CB 1.928 64.934 63.200 -0.324 0.000 1.111 62 S HN 0.803 nan 8.310 nan 0.000 0.552 63 A N 1.278 123.874 122.820 -0.375 0.000 2.308 63 A HA 0.346 4.666 4.320 -0.000 0.000 0.217 63 A C 0.504 178.017 177.584 -0.119 0.000 1.216 63 A CA -0.182 51.779 52.037 -0.127 0.000 0.864 63 A CB -0.415 18.561 19.000 -0.040 0.000 0.902 63 A HN 0.795 nan 8.150 nan 0.000 0.499 64 N N 1.345 119.944 118.700 -0.169 0.000 2.818 64 N HA 0.207 4.947 4.740 -0.000 0.000 0.301 64 N C -1.312 174.086 175.510 -0.187 0.000 1.821 64 N CA 0.001 52.945 53.050 -0.177 0.000 0.930 64 N CB 0.659 39.053 38.487 -0.155 0.000 1.263 64 N HN 0.485 nan 8.380 nan 0.000 0.487 65 Q N 0.745 120.431 119.800 -0.190 0.000 2.284 65 Q HA 0.238 4.578 4.340 -0.000 0.000 0.269 65 Q C -1.269 174.635 176.000 -0.161 0.000 1.026 65 Q CA -0.692 55.035 55.803 -0.127 0.000 0.831 65 Q CB 1.778 30.497 28.738 -0.032 0.000 1.322 65 Q HN 0.309 nan 8.270 nan 0.000 0.419 66 Y N 1.740 121.993 120.300 -0.079 0.000 2.730 66 Y HA 0.048 4.598 4.550 -0.000 0.000 0.354 66 Y C 0.497 176.281 175.900 -0.193 0.000 1.139 66 Y CA -0.402 57.620 58.100 -0.130 0.000 1.516 66 Y CB 0.199 38.566 38.460 -0.154 0.000 1.204 66 Y HN 0.164 nan 8.280 nan 0.000 0.520 67 R N 2.863 123.250 120.500 -0.188 0.000 2.399 67 R HA 0.132 4.472 4.340 -0.000 0.000 0.324 67 R C -0.834 175.050 176.300 -0.693 0.000 1.030 67 R CA -0.270 55.567 56.100 -0.438 0.000 0.984 67 R CB 0.146 29.961 30.300 -0.809 0.000 0.961 67 R HN 0.361 nan 8.270 nan 0.000 0.433 68 V N 6.534 126.163 119.914 -0.475 0.000 2.313 68 V HA 0.325 4.445 4.120 -0.000 0.000 0.278 68 V C -0.054 175.804 176.094 -0.392 0.000 1.017 68 V CA -0.555 61.459 62.300 -0.476 0.000 0.823 68 V CB 0.494 32.124 31.823 -0.323 0.000 1.010 68 V HN 0.493 nan 8.190 nan 0.000 0.443 69 F N 3.546 123.383 119.950 -0.188 0.000 2.384 69 F HA 0.473 5.000 4.527 -0.000 0.000 0.338 69 F C 0.573 176.165 175.800 -0.347 0.000 1.103 69 F CA -0.541 57.337 58.000 -0.204 0.000 1.157 69 F CB 1.104 39.936 39.000 -0.280 0.000 1.167 69 F HN 0.263 nan 8.300 nan 0.000 0.529 70 K N 3.752 124.121 120.400 -0.051 0.000 2.389 70 K HA 0.447 4.767 4.320 -0.000 0.000 0.261 70 K C -1.352 175.137 176.600 -0.185 0.000 1.014 70 K CA -0.719 55.356 56.287 -0.354 0.000 0.920 70 K CB 0.550 32.988 32.500 -0.104 0.000 1.149 70 K HN 0.477 nan 8.250 nan 0.000 0.444 71 I N 4.228 124.645 120.570 -0.256 0.000 2.281 71 I HA 0.105 4.275 4.170 -0.000 0.000 0.293 71 I C 0.267 176.263 176.117 -0.202 0.000 1.085 71 I CA 0.031 61.188 61.300 -0.238 0.000 1.257 71 I CB 1.057 38.820 38.000 -0.395 0.000 1.430 71 I HN 0.542 nan 8.210 nan 0.000 0.489 72 Q N 6.031 125.761 119.800 -0.117 0.000 2.279 72 Q HA 0.488 4.828 4.340 -0.000 0.000 0.256 72 Q C -0.832 175.140 176.000 -0.047 0.000 0.937 72 Q CA -0.425 55.347 55.803 -0.052 0.000 0.933 72 Q CB 0.913 29.651 28.738 0.000 0.000 1.189 72 Q HN 0.587 nan 8.270 nan 0.000 0.417 73 L N 5.039 126.261 121.223 -0.001 0.000 2.431 73 L HA 0.536 4.876 4.340 -0.000 0.000 0.260 73 L C -2.081 174.876 176.870 0.145 0.000 1.098 73 L CA -2.390 52.477 54.840 0.044 0.000 0.800 73 L CB 0.877 43.017 42.059 0.135 0.000 1.210 73 L HN 0.613 nan 8.230 nan 0.000 0.465 74 P HA 0.100 nan 4.420 nan 0.000 0.293 74 P C -1.175 176.339 177.300 0.356 0.000 1.300 74 P CA -0.516 62.763 63.100 0.298 0.000 0.792 74 P CB 0.661 32.586 31.700 0.375 0.000 0.925 75 D N 5.778 126.317 120.400 0.232 0.000 2.450 75 D HA -0.030 4.610 4.640 -0.000 0.000 0.247 75 D C -1.183 175.168 176.300 0.086 0.000 1.162 75 D CA -1.251 52.829 54.000 0.134 0.000 0.879 75 D CB 0.914 41.785 40.800 0.118 0.000 1.163 75 D HN 0.199 nan 8.370 nan 0.000 0.472 76 P HA -0.112 nan 4.420 nan 0.000 0.217 76 P C 0.912 178.091 177.300 -0.201 0.000 1.151 76 P CA 0.940 63.681 63.100 -0.599 0.000 0.828 76 P CB 0.173 31.193 31.700 -1.134 0.000 0.788 77 N N -0.781 117.906 118.700 -0.022 0.000 2.521 77 N HA -0.071 4.669 4.740 -0.000 0.000 0.188 77 N C 1.333 176.931 175.510 0.148 0.000 1.146 77 N CA 0.022 53.135 53.050 0.105 0.000 0.893 77 N CB -0.014 38.597 38.487 0.206 0.000 0.975 77 N HN 0.172 nan 8.380 nan 0.000 0.451 78 Q N -0.004 119.905 119.800 0.181 0.000 2.182 78 Q HA 0.153 4.493 4.340 -0.000 0.000 0.305 78 Q C -0.889 175.257 176.000 0.243 0.000 0.880 78 Q CA -0.375 55.535 55.803 0.178 0.000 1.131 78 Q CB 0.285 29.108 28.738 0.142 0.000 1.237 78 Q HN 0.103 nan 8.270 nan 0.000 0.447 79 F N 0.161 120.114 119.950 0.006 0.000 2.266 79 F HA 0.642 5.169 4.527 -0.000 0.000 0.306 79 F C 0.412 176.219 175.800 0.012 0.000 1.016 79 F CA -0.742 57.267 58.000 0.015 0.000 1.127 79 F CB 0.587 39.593 39.000 0.010 0.000 1.735 79 F HN 0.054 nan 8.300 nan 0.000 0.540 80 A N 0.983 123.935 122.820 0.220 0.000 2.304 80 A HA 0.705 5.025 4.320 -0.000 0.000 0.323 80 A C -1.489 176.185 177.584 0.150 0.000 1.195 80 A CA -0.482 51.621 52.037 0.110 0.000 0.826 80 A CB 0.158 19.181 19.000 0.038 0.000 1.184 80 A HN 0.577 nan 8.150 nan 0.000 0.496 81 L N 3.721 124.986 121.223 0.070 0.000 2.401 81 L HA 0.353 4.693 4.340 -0.000 0.000 0.263 81 L C -2.010 174.875 176.870 0.026 0.000 1.004 81 L CA -1.444 53.418 54.840 0.037 0.000 0.881 81 L CB 1.770 43.810 42.059 -0.032 0.000 1.219 81 L HN 0.512 nan 8.230 nan 0.000 0.441 82 P HA -0.017 nan 4.420 nan 0.000 0.233 82 P C -0.547 176.765 177.300 0.020 0.000 1.167 82 P CA 0.750 63.869 63.100 0.032 0.000 0.770 82 P CB 0.111 31.838 31.700 0.045 0.000 0.837 83 D N -2.573 117.837 120.400 0.015 0.000 2.497 83 D HA 0.266 4.906 4.640 -0.000 0.000 0.243 83 D C 0.902 177.198 176.300 -0.007 0.000 1.039 83 D CA -0.852 53.153 54.000 0.008 0.000 1.052 83 D CB 0.916 41.727 40.800 0.017 0.000 1.344 83 D HN -0.351 nan 8.370 nan 0.000 0.553 84 R N -0.529 119.968 120.500 -0.005 0.000 2.210 84 R HA 0.088 4.428 4.340 -0.000 0.000 0.203 84 R C 1.490 177.783 176.300 -0.013 0.000 1.010 84 R CA 0.531 56.624 56.100 -0.013 0.000 1.008 84 R CB -0.672 29.624 30.300 -0.006 0.000 0.923 84 R HN 0.551 nan 8.270 nan 0.000 0.469 85 T N 1.138 115.691 114.554 -0.001 0.000 2.833 85 T HA -0.027 4.323 4.350 -0.000 0.000 0.269 85 T C 1.100 175.804 174.700 0.005 0.000 1.054 85 T CA 0.528 62.633 62.100 0.008 0.000 1.135 85 T CB -0.044 68.836 68.868 0.020 0.000 0.869 85 T HN -0.097 nan 8.240 nan 0.000 0.466 86 V N 3.866 123.769 119.914 -0.019 0.000 2.901 86 V HA -0.013 4.107 4.120 -0.000 0.000 0.307 86 V C 0.956 176.983 176.094 -0.113 0.000 1.084 86 V CA -0.692 61.572 62.300 -0.060 0.000 1.184 86 V CB 0.032 31.785 31.823 -0.117 0.000 0.941 86 V HN 0.640 nan 8.190 nan 0.000 0.493 87 H N 3.499 122.555 119.070 -0.024 0.000 3.038 87 H HA -0.011 4.545 4.556 -0.000 0.000 0.338 87 H C 0.308 175.614 175.328 -0.037 0.000 1.041 87 H CA -0.023 56.002 56.048 -0.037 0.000 1.394 87 H CB -0.004 29.722 29.762 -0.061 0.000 1.357 87 H HN 0.776 nan 8.280 nan 0.000 0.600 88 N N 3.360 122.091 118.700 0.052 0.000 2.395 88 N HA -0.047 4.693 4.740 -0.000 0.000 0.246 88 N C -1.435 174.093 175.510 0.030 0.000 1.246 88 N CA -1.314 51.739 53.050 0.006 0.000 0.879 88 N CB 0.773 39.267 38.487 0.010 0.000 1.098 88 N HN 0.405 nan 8.380 nan 0.000 0.444 89 P HA -0.070 nan 4.420 nan 0.000 0.216 89 P C 0.290 177.595 177.300 0.007 0.000 1.150 89 P CA 1.297 64.397 63.100 -0.001 0.000 0.837 89 P CB 0.303 31.994 31.700 -0.016 0.000 0.786 90 S N -1.691 114.004 115.700 -0.009 0.000 2.511 90 S HA 0.136 4.606 4.470 -0.000 0.000 0.214 90 S C 1.487 176.055 174.600 -0.053 0.000 0.997 90 S CA 0.112 58.293 58.200 -0.032 0.000 0.908 90 S CB -0.052 63.132 63.200 -0.027 0.000 0.803 90 S HN 0.200 nan 8.310 nan 0.000 0.504 91 K N 1.200 121.579 120.400 -0.034 0.000 2.044 91 K HA 0.119 4.439 4.320 -0.000 0.000 0.204 91 K C 0.403 176.942 176.600 -0.101 0.000 1.049 91 K CA 0.887 57.143 56.287 -0.051 0.000 0.945 91 K CB 0.169 32.656 32.500 -0.023 0.000 0.724 91 K HN 0.369 nan 8.250 nan 0.000 0.440 92 E N -0.089 120.053 120.200 -0.097 0.000 2.392 92 E HA 0.356 4.706 4.350 -0.000 0.000 0.269 92 E C -0.840 175.511 176.600 -0.414 0.000 0.924 92 E CA -0.950 55.310 56.400 -0.232 0.000 0.784 92 E CB 1.942 31.526 29.700 -0.194 0.000 1.292 92 E HN -0.102 nan 8.360 nan 0.000 0.447 93 R N 1.002 121.122 120.500 -0.633 0.000 2.750 93 R HA 0.567 4.907 4.340 -0.000 0.000 0.281 93 R C -0.853 175.064 176.300 -0.639 0.000 0.972 93 R CA -0.769 54.896 56.100 -0.724 0.000 0.912 93 R CB 1.219 30.821 30.300 -1.164 0.000 1.187 93 R HN 0.464 nan 8.270 nan 0.000 0.464 94 L N 1.545 122.483 121.223 -0.474 0.000 2.334 94 L HA 0.745 5.085 4.340 -0.000 0.000 0.272 94 L C 0.492 177.241 176.870 -0.201 0.000 1.020 94 L CA -1.002 53.632 54.840 -0.344 0.000 0.812 94 L CB 1.743 43.634 42.059 -0.280 0.000 1.264 94 L HN 0.458 nan 8.230 nan 0.000 0.439 95 V N -2.572 117.167 119.914 -0.291 0.000 3.065 95 V HA 0.565 4.685 4.120 -0.000 0.000 0.312 95 V C -1.729 174.084 176.094 -0.469 0.000 1.412 95 V CA -1.050 61.076 62.300 -0.291 0.000 1.039 95 V CB 1.710 33.531 31.823 -0.002 0.000 1.077 95 V HN 0.773 nan 8.190 nan 0.000 0.473 96 W N -0.480 120.755 121.300 -0.109 0.000 2.706 96 W HA 0.872 5.532 4.660 -0.000 0.000 0.346 96 W C -0.290 176.118 176.519 -0.185 0.000 1.071 96 W CA -0.426 56.824 57.345 -0.159 0.000 1.206 96 W CB 2.352 31.725 29.460 -0.145 0.000 1.413 96 W HN 0.965 nan 8.180 nan 0.000 0.542 97 A N 1.915 124.830 122.820 0.157 0.000 2.402 97 A HA 0.610 4.930 4.320 -0.000 0.000 0.291 97 A C -0.847 176.714 177.584 -0.038 0.000 1.051 97 A CA -0.734 51.275 52.037 -0.046 0.000 0.716 97 A CB 0.415 19.346 19.000 -0.115 0.000 1.223 97 A HN 0.583 nan 8.150 nan 0.000 0.425 98 V N 1.448 121.335 119.914 -0.045 0.000 2.686 98 V HA 0.483 4.603 4.120 -0.000 0.000 0.295 98 V C 0.697 176.795 176.094 0.007 0.000 1.055 98 V CA 0.038 62.364 62.300 0.044 0.000 1.050 98 V CB 0.453 32.397 31.823 0.202 0.000 0.984 98 V HN 0.796 nan 8.190 nan 0.000 0.482 99 I N 2.075 122.694 120.570 0.081 0.000 4.197 99 I HA 0.471 4.641 4.170 -0.000 0.000 0.307 99 I C 1.189 177.429 176.117 0.204 0.000 1.236 99 I CA 0.766 62.122 61.300 0.095 0.000 1.321 99 I CB 0.638 38.764 38.000 0.212 0.000 1.309 99 I HN 0.819 nan 8.210 nan 0.000 0.450 100 G N 1.038 109.989 108.800 0.251 0.000 2.638 100 G HA2 0.656 4.616 3.960 -0.000 0.000 0.302 100 G HA3 0.656 4.616 3.960 -0.000 0.000 0.302 100 G C -1.534 173.324 174.900 -0.070 0.000 1.365 100 G CA -0.286 44.882 45.100 0.113 0.000 0.987 100 G HN -0.183 nan 8.290 nan 0.000 0.495 101 V N 1.195 120.979 119.914 -0.215 0.000 2.760 101 V HA 0.630 4.750 4.120 -0.000 0.000 0.309 101 V C -0.566 175.378 176.094 -0.250 0.000 1.077 101 V CA -0.777 61.346 62.300 -0.296 0.000 0.910 101 V CB 1.992 33.775 31.823 -0.067 0.000 1.008 101 V HN 0.768 nan 8.190 nan 0.000 0.424 102 Q N 2.971 122.583 119.800 -0.313 0.000 2.444 102 Q HA 0.437 4.777 4.340 -0.000 0.000 0.251 102 Q C -1.861 174.076 176.000 -0.105 0.000 0.939 102 Q CA -0.268 55.426 55.803 -0.181 0.000 0.740 102 Q CB 2.226 30.836 28.738 -0.212 0.000 1.308 102 Q HN 0.645 nan 8.270 nan 0.000 0.461 103 V N 2.436 122.389 119.914 0.065 0.000 2.455 103 V HA 0.245 4.365 4.120 -0.000 0.000 0.273 103 V C 0.237 176.448 176.094 0.195 0.000 1.045 103 V CA 0.019 62.415 62.300 0.159 0.000 0.976 103 V CB 1.338 33.385 31.823 0.373 0.000 0.993 103 V HN 0.616 nan 8.190 nan 0.000 0.475 104 S N 5.827 121.575 115.700 0.081 0.000 2.437 104 S HA 0.532 5.002 4.470 -0.000 0.000 0.305 104 S C -0.221 174.355 174.600 -0.040 0.000 1.109 104 S CA -0.847 57.376 58.200 0.037 0.000 1.099 104 S CB 0.452 63.656 63.200 0.006 0.000 1.004 104 S HN 0.690 nan 8.310 nan 0.000 0.475 105 R N 3.167 123.594 120.500 -0.122 0.000 2.275 105 R HA 0.351 4.691 4.340 -0.000 0.000 0.326 105 R C 0.112 176.290 176.300 -0.203 0.000 0.973 105 R CA -0.441 55.491 56.100 -0.281 0.000 0.854 105 R CB 1.367 31.391 30.300 -0.461 0.000 1.156 105 R HN 0.676 nan 8.270 nan 0.000 0.487 106 G N 2.919 111.598 108.800 -0.201 0.000 2.607 106 G HA2 0.326 4.286 3.960 -0.000 0.000 0.332 106 G HA3 0.326 4.286 3.960 -0.000 0.000 0.332 106 G C -0.345 174.467 174.900 -0.146 0.000 1.046 106 G CA -0.074 44.944 45.100 -0.136 0.000 1.099 106 G HN 0.305 nan 8.290 nan 0.000 0.451 107 Q N 0.694 120.416 119.800 -0.129 0.000 2.776 107 Q HA 0.276 4.616 4.340 -0.000 0.000 0.289 107 Q C -2.867 173.080 176.000 -0.088 0.000 0.912 107 Q CA -1.115 54.616 55.803 -0.120 0.000 0.789 107 Q CB 1.999 30.638 28.738 -0.165 0.000 1.498 107 Q HN 0.330 nan 8.270 nan 0.000 0.408 108 P HA 0.249 nan 4.420 nan 0.000 0.276 108 P C -0.368 176.906 177.300 -0.043 0.000 1.235 108 P CA -0.637 62.434 63.100 -0.047 0.000 0.772 108 P CB 0.350 32.026 31.700 -0.038 0.000 0.871 109 L N 2.762 123.969 121.223 -0.026 0.000 2.482 109 L HA 0.530 4.870 4.340 -0.000 0.000 0.273 109 L C 0.712 177.580 176.870 -0.004 0.000 1.228 109 L CA 1.442 56.275 54.840 -0.012 0.000 0.827 109 L CB -0.324 41.736 42.059 0.002 0.000 1.099 109 L HN 0.731 nan 8.230 nan 0.000 0.494 110 G N 1.298 110.103 108.800 0.007 0.000 2.313 110 G HA2 0.469 4.429 3.960 -0.000 0.000 0.296 110 G HA3 0.469 4.429 3.960 -0.000 0.000 0.296 110 G C -1.089 173.828 174.900 0.028 0.000 1.356 110 G CA -0.413 44.697 45.100 0.017 0.000 0.833 110 G HN 0.915 nan 8.290 nan 0.000 0.552 111 G N -0.850 107.973 108.800 0.037 0.000 2.410 111 G HA2 0.589 4.549 3.960 -0.000 0.000 0.330 111 G HA3 0.589 4.549 3.960 -0.000 0.000 0.330 111 G C -0.318 174.609 174.900 0.046 0.000 1.142 111 G CA -0.125 45.002 45.100 0.044 0.000 0.902 111 G HN 0.651 nan 8.290 nan 0.000 0.491 112 T N 0.700 115.277 114.554 0.039 0.000 2.799 112 T HA 0.503 4.853 4.350 -0.000 0.000 0.286 112 T C 0.030 174.746 174.700 0.027 0.000 0.973 112 T CA -0.159 61.958 62.100 0.028 0.000 1.035 112 T CB 1.463 70.331 68.868 -0.001 0.000 0.932 112 T HN 0.284 nan 8.240 nan 0.000 0.469 113 V N 2.321 122.255 119.914 0.033 0.000 2.960 113 V HA 0.876 4.996 4.120 -0.000 0.000 0.315 113 V C 0.155 176.271 176.094 0.037 0.000 1.087 113 V CA -0.705 61.628 62.300 0.055 0.000 0.982 113 V CB 2.289 34.169 31.823 0.095 0.000 1.039 113 V HN 0.946 nan 8.190 nan 0.000 0.437 114 T N 1.031 115.631 114.554 0.078 0.000 2.932 114 T HA 0.773 5.123 4.350 -0.000 0.000 0.318 114 T C -0.317 174.508 174.700 0.209 0.000 1.265 114 T CA 0.376 62.548 62.100 0.120 0.000 1.036 114 T CB 1.691 70.574 68.868 0.026 0.000 1.209 114 T HN 1.188 nan 8.240 nan 0.000 0.484 115 G N 1.746 110.747 108.800 0.336 0.000 3.085 115 G HA2 0.665 4.625 3.960 -0.000 0.000 0.264 115 G HA3 0.665 4.625 3.960 -0.000 0.000 0.264 115 G C -1.538 173.571 174.900 0.349 0.000 1.206 115 G CA -0.361 44.896 45.100 0.262 0.000 0.809 115 G HN 0.945 nan 8.290 nan 0.000 0.592 116 H N -0.191 118.976 119.070 0.162 0.000 3.121 116 H HA 0.242 4.798 4.556 -0.000 0.000 0.337 116 H C -2.120 173.288 175.328 0.133 0.000 1.198 116 H CA -0.711 55.445 56.048 0.180 0.000 1.274 116 H CB 2.759 32.696 29.762 0.293 0.000 1.954 116 H HN 0.288 nan 8.280 nan 0.000 0.531 117 P HA -0.116 nan 4.420 nan 0.000 0.213 117 P C 0.484 177.881 177.300 0.161 0.000 1.170 117 P CA 1.617 64.668 63.100 -0.082 0.000 0.898 117 P CB 0.112 31.684 31.700 -0.214 0.000 0.787 118 T N -3.504 111.287 114.554 0.395 0.000 3.064 118 T HA 0.471 4.821 4.350 -0.000 0.000 0.367 118 T C -0.638 174.285 174.700 0.372 0.000 1.202 118 T CA -0.893 61.425 62.100 0.363 0.000 1.133 118 T CB -0.463 68.522 68.868 0.195 0.000 1.074 118 T HN -0.191 nan 8.240 nan 0.000 0.519 119 F N 3.020 123.040 119.950 0.117 0.000 2.368 119 F HA 0.599 5.126 4.527 -0.000 0.000 0.315 119 F C 0.535 176.296 175.800 -0.065 0.000 1.145 119 F CA -1.026 56.935 58.000 -0.065 0.000 1.095 119 F CB 1.220 40.216 39.000 -0.007 0.000 1.286 119 F HN 0.607 nan 8.300 nan 0.000 0.530 120 N N 2.317 120.572 118.700 -0.741 0.000 2.817 120 N HA 0.497 5.237 4.740 -0.000 0.000 0.234 120 N C -1.879 173.515 175.510 -0.194 0.000 1.066 120 N CA -0.168 52.633 53.050 -0.415 0.000 0.926 120 N CB 0.456 38.665 38.487 -0.463 0.000 1.176 120 N HN 0.683 nan 8.380 nan 0.000 0.506 121 A N 3.757 126.579 122.820 0.005 0.000 2.522 121 A HA 0.371 4.691 4.320 -0.000 0.000 0.285 121 A C 0.691 178.257 177.584 -0.029 0.000 1.198 121 A CA -0.593 51.486 52.037 0.070 0.000 0.742 121 A CB 0.325 19.318 19.000 -0.012 0.000 1.176 121 A HN 0.579 nan 8.150 nan 0.000 0.444 122 L N 1.575 122.796 121.223 -0.003 0.000 2.056 122 L HA 0.113 4.453 4.340 -0.000 0.000 0.207 122 L C 0.276 177.131 176.870 -0.024 0.000 1.078 122 L CA 1.344 56.171 54.840 -0.021 0.000 0.749 122 L CB -0.309 41.742 42.059 -0.014 0.000 0.901 122 L HN 0.611 nan 8.230 nan 0.000 0.433 123 L N -1.880 119.343 121.223 0.001 0.000 2.838 123 L HA 0.312 4.652 4.340 -0.000 0.000 0.266 123 L C -1.846 175.071 176.870 0.079 0.000 1.040 123 L CA -0.988 53.861 54.840 0.016 0.000 0.906 123 L CB 2.064 44.141 42.059 0.030 0.000 1.501 123 L HN -0.018 nan 8.230 nan 0.000 0.407 124 D N 0.011 120.467 120.400 0.093 0.000 2.758 124 D HA 0.507 5.147 4.640 -0.000 0.000 0.279 124 D C -0.406 175.962 176.300 0.115 0.000 1.111 124 D CA -0.638 53.468 54.000 0.177 0.000 1.109 124 D CB 1.578 42.518 40.800 0.233 0.000 1.428 124 D HN 0.552 nan 8.370 nan 0.000 0.586 125 A N -0.259 122.627 122.820 0.110 0.000 3.063 125 A HA 0.387 4.707 4.320 -0.000 0.000 0.263 125 A C -0.067 177.551 177.584 0.056 0.000 1.736 125 A CA -0.084 51.985 52.037 0.054 0.000 1.408 125 A CB -1.081 17.934 19.000 0.026 0.000 1.108 125 A HN 0.407 nan 8.150 nan 0.000 0.621 126 E N 0.172 120.402 120.200 0.051 0.000 2.222 126 E HA 0.446 4.796 4.350 -0.000 0.000 0.267 126 E C 0.135 176.752 176.600 0.030 0.000 0.884 126 E CA -0.604 55.822 56.400 0.044 0.000 0.764 126 E CB 0.927 30.655 29.700 0.047 0.000 1.169 126 E HN 0.249 nan 8.360 nan 0.000 0.413 127 N N 2.442 121.157 118.700 0.026 0.000 2.405 127 N HA 0.027 4.767 4.740 -0.000 0.000 0.175 127 N C 0.611 176.132 175.510 0.019 0.000 1.051 127 N CA 0.577 53.639 53.050 0.020 0.000 0.899 127 N CB 0.514 39.011 38.487 0.017 0.000 1.000 127 N HN 0.287 nan 8.380 nan 0.000 0.451 128 V N 1.595 121.521 119.914 0.020 0.000 3.542 128 V HA 0.084 4.204 4.120 -0.000 0.000 0.296 128 V C 0.075 176.179 176.094 0.017 0.000 1.364 128 V CA -0.325 61.986 62.300 0.018 0.000 1.118 128 V CB -1.061 30.773 31.823 0.018 0.000 0.972 128 V HN 0.342 nan 8.190 nan 0.000 0.430 129 N N 1.882 120.593 118.700 0.018 0.000 2.530 129 N HA 0.055 4.795 4.740 -0.000 0.000 0.273 129 N C 0.216 175.734 175.510 0.013 0.000 1.173 129 N CA -0.346 52.714 53.050 0.015 0.000 0.967 129 N CB 0.713 39.211 38.487 0.017 0.000 1.109 129 N HN 0.346 nan 8.380 nan 0.000 0.453 130 R N 0.904 121.410 120.500 0.010 0.000 2.873 130 R HA -0.050 4.290 4.340 -0.000 0.000 0.267 130 R C -0.095 176.211 176.300 0.009 0.000 1.009 130 R CA 0.113 56.219 56.100 0.009 0.000 1.152 130 R CB 0.461 30.764 30.300 0.006 0.000 1.047 130 R HN 0.577 nan 8.270 nan 0.000 0.470 131 K N 1.170 121.575 120.400 0.009 0.000 2.382 131 K HA 0.060 4.380 4.320 -0.000 0.000 0.275 131 K C -0.427 176.177 176.600 0.007 0.000 1.009 131 K CA -0.377 55.916 56.287 0.010 0.000 0.970 131 K CB 0.850 33.357 32.500 0.011 0.000 0.934 131 K HN 0.295 nan 8.250 nan 0.000 0.479 132 V N 3.786 123.704 119.914 0.007 0.000 2.452 132 V HA -0.074 4.046 4.120 -0.000 0.000 0.286 132 V C 0.417 176.510 176.094 -0.002 0.000 0.995 132 V CA 0.425 62.727 62.300 0.002 0.000 1.116 132 V CB -0.315 31.510 31.823 0.003 0.000 0.954 132 V HN 0.733 nan 8.190 nan 0.000 0.473 133 T N 4.564 119.115 114.554 -0.005 0.000 2.919 133 T HA 0.140 4.490 4.350 -0.000 0.000 0.302 133 T C 0.721 175.414 174.700 -0.011 0.000 1.031 133 T CA -0.313 61.783 62.100 -0.007 0.000 1.127 133 T CB 0.471 69.334 68.868 -0.008 0.000 0.952 133 T HN 0.786 nan 8.240 nan 0.000 0.540 134 T N 3.992 118.539 114.554 -0.012 0.000 2.939 134 T HA -0.011 4.339 4.350 -0.000 0.000 0.319 134 T C 0.713 175.402 174.700 -0.018 0.000 1.082 134 T CA -0.032 62.059 62.100 -0.016 0.000 1.133 134 T CB 0.124 68.983 68.868 -0.014 0.000 1.019 134 T HN 0.502 nan 8.240 nan 0.000 0.548 135 Q N 2.002 121.788 119.800 -0.023 0.000 2.274 135 Q HA 0.142 4.482 4.340 -0.000 0.000 0.280 135 Q C 0.706 176.693 176.000 -0.023 0.000 1.047 135 Q CA 0.072 55.860 55.803 -0.025 0.000 0.907 135 Q CB 0.173 28.892 28.738 -0.032 0.000 1.171 135 Q HN 0.574 nan 8.270 nan 0.000 0.381 136 T N 1.282 115.824 114.554 -0.021 0.000 2.771 136 T HA 0.021 4.371 4.350 -0.000 0.000 0.290 136 T C 1.506 176.193 174.700 -0.021 0.000 1.005 136 T CA -0.387 61.702 62.100 -0.019 0.000 0.944 136 T CB 0.573 69.431 68.868 -0.016 0.000 1.147 136 T HN 0.596 nan 8.240 nan 0.000 0.534 137 T N 1.037 115.580 114.554 -0.019 0.000 2.759 137 T HA -0.065 4.285 4.350 -0.000 0.000 0.269 137 T C 0.598 175.285 174.700 -0.022 0.000 1.042 137 T CA 1.291 63.379 62.100 -0.020 0.000 1.140 137 T CB -0.082 68.777 68.868 -0.016 0.000 0.864 137 T HN 0.494 nan 8.240 nan 0.000 0.455 138 D N -0.296 120.092 120.400 -0.020 0.000 2.732 138 D HA 0.244 4.884 4.640 -0.000 0.000 0.229 138 D C -0.889 175.397 176.300 -0.022 0.000 1.152 138 D CA -0.561 53.426 54.000 -0.022 0.000 0.854 138 D CB 1.752 42.543 40.800 -0.015 0.000 1.590 138 D HN 0.004 nan 8.370 nan 0.000 0.468 139 D N 1.285 121.669 120.400 -0.027 0.000 2.516 139 D HA 0.079 4.719 4.640 -0.000 0.000 0.241 139 D C 0.407 176.691 176.300 -0.026 0.000 1.246 139 D CA -0.235 53.748 54.000 -0.028 0.000 0.808 139 D CB 1.050 41.829 40.800 -0.035 0.000 1.147 139 D HN 0.141 nan 8.370 nan 0.000 0.527 140 R N 1.515 122.004 120.500 -0.019 0.000 2.811 140 R HA 0.318 4.658 4.340 -0.000 0.000 0.265 140 R C 0.524 176.836 176.300 0.021 0.000 1.026 140 R CA 0.570 56.672 56.100 0.005 0.000 1.142 140 R CB 0.667 30.980 30.300 0.021 0.000 1.027 140 R HN -0.033 nan 8.270 nan 0.000 0.465 141 K N 0.561 120.993 120.400 0.052 0.000 2.507 141 K HA 0.168 4.488 4.320 -0.000 0.000 0.284 141 K C -1.181 175.464 176.600 0.075 0.000 1.038 141 K CA -1.047 55.260 56.287 0.033 0.000 0.903 141 K CB 1.342 33.830 32.500 -0.021 0.000 1.531 141 K HN 0.395 nan 8.250 nan 0.000 0.430 142 Q N 1.217 121.045 119.800 0.047 0.000 2.286 142 Q HA 0.203 4.543 4.340 -0.000 0.000 0.257 142 Q C -1.040 174.982 176.000 0.036 0.000 0.941 142 Q CA 0.355 56.199 55.803 0.067 0.000 0.912 142 Q CB 1.036 29.800 28.738 0.043 0.000 1.192 142 Q HN 0.404 nan 8.270 nan 0.000 0.410 143 T N 2.346 116.937 114.554 0.062 0.000 2.812 143 T HA 0.509 4.859 4.350 -0.000 0.000 0.282 143 T C -0.265 174.445 174.700 0.016 0.000 0.990 143 T CA -0.617 61.460 62.100 -0.037 0.000 0.960 143 T CB 1.447 70.191 68.868 -0.207 0.000 0.948 143 T HN 0.692 nan 8.240 nan 0.000 0.438 144 G N 1.650 110.473 108.800 0.038 0.000 2.400 144 G HA2 0.637 4.597 3.960 -0.000 0.000 0.301 144 G HA3 0.637 4.597 3.960 -0.000 0.000 0.301 144 G C -1.321 173.670 174.900 0.152 0.000 1.154 144 G CA -0.418 44.745 45.100 0.106 0.000 0.852 144 G HN 0.605 nan 8.290 nan 0.000 0.511 145 L N 2.128 123.440 121.223 0.147 0.000 2.680 145 L HA 0.285 4.625 4.340 -0.000 0.000 0.260 145 L C -0.768 176.164 176.870 0.102 0.000 0.975 145 L CA -0.921 54.013 54.840 0.156 0.000 0.920 145 L CB 1.564 43.702 42.059 0.131 0.000 1.234 145 L HN 0.693 nan 8.230 nan 0.000 0.429 146 D N 3.782 124.236 120.400 0.090 0.000 2.389 146 D HA 0.369 5.009 4.640 -0.000 0.000 0.247 146 D C 0.379 176.694 176.300 0.025 0.000 1.128 146 D CA 0.045 54.080 54.000 0.058 0.000 0.884 146 D CB 1.720 42.556 40.800 0.060 0.000 1.194 146 D HN 0.707 nan 8.370 nan 0.000 0.441 147 A N 2.816 125.644 122.820 0.013 0.000 2.536 147 A HA 0.039 4.359 4.320 -0.000 0.000 0.234 147 A C 0.740 178.327 177.584 0.004 0.000 1.076 147 A CA -0.230 51.801 52.037 -0.010 0.000 0.769 147 A CB 0.168 19.158 19.000 -0.016 0.000 1.020 147 A HN 0.641 nan 8.150 nan 0.000 0.508 148 K N 2.135 122.533 120.400 -0.003 0.000 2.229 148 K HA 0.104 4.424 4.320 -0.000 0.000 0.247 148 K C 0.044 176.675 176.600 0.051 0.000 1.117 148 K CA -0.097 56.206 56.287 0.027 0.000 1.036 148 K CB -0.086 32.426 32.500 0.021 0.000 1.654 148 K HN 0.830 nan 8.250 nan 0.000 0.405 149 Q N 2.881 122.719 119.800 0.064 0.000 2.304 149 Q HA -0.128 4.212 4.340 -0.000 0.000 0.315 149 Q C -0.921 175.127 176.000 0.081 0.000 1.075 149 Q CA 1.088 56.931 55.803 0.067 0.000 0.988 149 Q CB 0.538 29.320 28.738 0.073 0.000 1.146 149 Q HN 0.685 nan 8.270 nan 0.000 0.383 150 Q N 2.614 122.460 119.800 0.076 0.000 2.575 150 Q HA 0.333 4.673 4.340 -0.000 0.000 0.290 150 Q C -1.949 174.109 176.000 0.097 0.000 0.963 150 Q CA -0.643 55.216 55.803 0.094 0.000 0.783 150 Q CB 1.817 30.621 28.738 0.110 0.000 1.467 150 Q HN 0.725 nan 8.270 nan 0.000 0.402 151 Q N 1.719 121.588 119.800 0.116 0.000 2.284 151 Q HA 0.593 4.933 4.340 -0.000 0.000 0.269 151 Q C -1.291 174.787 176.000 0.129 0.000 1.026 151 Q CA -0.395 55.500 55.803 0.153 0.000 0.831 151 Q CB 2.567 31.418 28.738 0.187 0.000 1.322 151 Q HN 0.530 nan 8.270 nan 0.000 0.419 152 I N 3.046 123.703 120.570 0.145 0.000 2.534 152 I HA 0.509 4.679 4.170 -0.000 0.000 0.288 152 I C -1.289 174.895 176.117 0.112 0.000 1.077 152 I CA -0.791 60.581 61.300 0.120 0.000 1.051 152 I CB 1.990 40.066 38.000 0.126 0.000 1.234 152 I HN 0.450 nan 8.210 nan 0.000 0.425 153 L N 8.291 129.531 121.223 0.028 0.000 2.410 153 L HA 0.758 5.098 4.340 -0.000 0.000 0.270 153 L C -1.773 174.989 176.870 -0.180 0.000 0.983 153 L CA -0.605 54.212 54.840 -0.039 0.000 0.822 153 L CB 1.862 43.872 42.059 -0.082 0.000 1.285 153 L HN 0.597 nan 8.230 nan 0.000 0.409 154 L N 3.470 124.568 121.223 -0.207 0.000 2.588 154 L HA 0.635 4.975 4.340 -0.000 0.000 0.263 154 L C -1.721 174.979 176.870 -0.284 0.000 0.935 154 L CA -0.622 54.017 54.840 -0.335 0.000 0.891 154 L CB 1.619 43.551 42.059 -0.212 0.000 1.318 154 L HN 0.507 nan 8.230 nan 0.000 0.409 155 L N 2.328 123.334 121.223 -0.360 0.000 2.322 155 L HA 1.096 5.436 4.340 -0.000 0.000 0.279 155 L C 0.302 176.877 176.870 -0.490 0.000 1.036 155 L CA 0.644 55.375 54.840 -0.180 0.000 0.807 155 L CB 1.590 43.778 42.059 0.215 0.000 1.226 155 L HN 0.991 nan 8.230 nan 0.000 0.433 156 G N 1.735 110.077 108.800 -0.763 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 -0.529 173.868 174.900 -0.839 0.000 1.292 156 G CA 0.190 44.466 45.100 -1.373 0.000 0.811 156 G HN 0.726 nan 8.290 nan 0.000 0.482 157 C N -0.773 118.276 119.300 -0.419 0.000 2.513 157 C HA 0.469 4.929 4.460 -0.000 0.000 0.292 157 C C 1.260 176.245 174.990 -0.010 0.000 1.359 157 C CA 1.631 60.683 59.018 0.057 0.000 1.778 157 C CB -0.505 27.408 27.740 0.290 0.000 2.180 157 C HN 0.730 nan 8.230 nan 0.000 0.509 158 T N 2.947 117.346 114.554 -0.258 0.000 2.925 158 T HA 0.391 4.741 4.350 -0.000 0.000 0.285 158 T C -2.719 171.373 174.700 -1.012 0.000 1.021 158 T CA -0.764 60.980 62.100 -0.593 0.000 1.042 158 T CB 1.392 70.113 68.868 -0.246 0.000 1.037 158 T HN 0.191 nan 8.240 nan 0.000 0.481 159 P HA 0.177 nan 4.420 nan 0.000 0.266 159 P C -0.566 176.395 177.300 -0.565 0.000 1.195 159 P CA -0.251 62.137 63.100 -1.187 0.000 0.768 159 P CB 0.283 31.291 31.700 -1.154 0.000 0.838 160 A N 3.676 126.230 122.820 -0.444 0.000 2.445 160 A HA 0.112 4.432 4.320 -0.000 0.000 0.242 160 A C 0.401 177.774 177.584 -0.351 0.000 1.075 160 A CA -0.092 51.725 52.037 -0.367 0.000 0.777 160 A CB -0.227 18.549 19.000 -0.374 0.000 1.013 160 A HN 0.570 nan 8.150 nan 0.000 0.493 161 E N 0.245 120.238 120.200 -0.345 0.000 2.204 161 E HA 0.527 4.877 4.350 -0.000 0.000 0.276 161 E C 0.283 176.624 176.600 -0.432 0.000 0.974 161 E CA -0.283 55.894 56.400 -0.371 0.000 0.815 161 E CB 1.837 31.346 29.700 -0.318 0.000 1.119 161 E HN 0.801 nan 8.360 nan 0.000 0.393 162 G N 1.647 110.174 108.800 -0.456 0.000 2.600 162 G HA2 0.526 4.486 3.960 -0.000 0.000 0.303 162 G HA3 0.526 4.486 3.960 -0.000 0.000 0.303 162 G C -1.074 173.586 174.900 -0.401 0.000 1.253 162 G CA -0.629 44.201 45.100 -0.450 0.000 0.974 162 G HN 0.565 nan 8.290 nan 0.000 0.483 163 E N -1.043 118.980 120.200 -0.295 0.000 2.336 163 E HA 0.747 5.097 4.350 -0.000 0.000 0.267 163 E C -1.354 175.195 176.600 -0.085 0.000 0.906 163 E CA -1.113 55.159 56.400 -0.212 0.000 0.781 163 E CB 2.448 32.033 29.700 -0.191 0.000 1.261 163 E HN 0.824 nan 8.360 nan 0.000 0.436 164 Y N -2.253 117.814 120.300 -0.389 0.000 2.741 164 Y HA 0.547 5.097 4.550 -0.000 0.000 0.339 164 Y C -1.912 173.685 175.900 -0.505 0.000 1.226 164 Y CA -1.845 56.057 58.100 -0.330 0.000 1.072 164 Y CB 1.111 39.473 38.460 -0.163 0.000 1.331 164 Y HN 0.553 nan 8.280 nan 0.000 0.453 165 W N 1.744 123.016 121.300 -0.046 0.000 2.551 165 W HA 0.679 5.339 4.660 -0.000 0.000 0.330 165 W C -0.275 176.083 176.519 -0.268 0.000 1.063 165 W CA -0.227 57.029 57.345 -0.148 0.000 1.222 165 W CB 2.221 31.671 29.460 -0.018 0.000 1.349 165 W HN 0.754 nan 8.180 nan 0.000 0.536 166 T N -1.828 112.715 114.554 -0.019 0.000 2.696 166 T HA 0.587 4.937 4.350 -0.000 0.000 0.291 166 T C -0.660 174.052 174.700 0.019 0.000 1.095 166 T CA -0.982 61.067 62.100 -0.086 0.000 1.026 166 T CB 1.383 70.091 68.868 -0.266 0.000 1.390 166 T HN 0.107 nan 8.240 nan 0.000 0.513 167 T N 1.775 116.329 114.554 0.000 0.000 2.744 167 T HA 0.682 5.032 4.350 -0.000 0.000 0.291 167 T C 0.220 174.925 174.700 0.007 0.000 0.957 167 T CA -0.421 61.688 62.100 0.014 0.000 1.002 167 T CB 0.618 69.491 68.868 0.010 0.000 0.919 167 T HN 0.971 nan 8.240 nan 0.000 0.468 168 A N 3.904 126.735 122.820 0.019 0.000 2.331 168 A HA 0.577 4.897 4.320 -0.000 0.000 0.283 168 A C 0.415 178.006 177.584 0.011 0.000 1.142 168 A CA -1.039 51.008 52.037 0.016 0.000 0.812 168 A CB 0.148 19.165 19.000 0.029 0.000 1.074 168 A HN 0.920 nan 8.150 nan 0.000 0.497 169 R N 2.812 123.317 120.500 0.008 0.000 2.494 169 R HA 0.227 4.567 4.340 -0.000 0.000 0.291 169 R C -2.410 173.895 176.300 0.007 0.000 0.953 169 R CA -0.403 55.702 56.100 0.007 0.000 1.098 169 R CB -0.964 29.340 30.300 0.007 0.000 0.911 169 R HN 0.488 nan 8.270 nan 0.000 0.407 170 P HA 0.107 nan 4.420 nan 0.000 0.274 170 P C -0.363 176.939 177.300 0.003 0.000 1.231 170 P CA -0.656 62.446 63.100 0.003 0.000 0.790 170 P CB 0.801 32.501 31.700 0.000 0.000 0.951 171 C N 0.990 120.292 119.300 0.003 0.000 2.563 171 C HA 0.049 4.509 4.460 -0.000 0.000 0.358 171 C C 2.624 177.615 174.990 0.002 0.000 1.336 171 C CA -0.422 58.598 59.018 0.003 0.000 2.454 171 C CB 0.342 28.084 27.740 0.004 0.000 2.448 171 C HN 0.463 nan 8.230 nan 0.000 0.670 172 V N 1.157 121.073 119.914 0.002 0.000 2.343 172 V HA -0.126 3.994 4.120 -0.000 0.000 0.247 172 V C 1.548 177.643 176.094 0.001 0.000 1.051 172 V CA 1.964 64.265 62.300 0.002 0.000 1.036 172 V CB -0.923 30.901 31.823 0.002 0.000 0.654 172 V HN 1.023 nan 8.190 nan 0.000 0.451 173 T N 1.317 115.872 114.554 0.001 0.000 2.867 173 T HA -0.143 4.207 4.350 -0.000 0.000 0.290 173 T C -0.102 174.598 174.700 -0.000 0.000 1.025 173 T CA 0.402 62.502 62.100 0.001 0.000 1.146 173 T CB -0.295 68.573 68.868 0.001 0.000 1.024 173 T HN 0.449 nan 8.240 nan 0.000 0.519 174 D N 4.353 124.752 120.400 -0.001 0.000 2.453 174 D HA 0.289 4.929 4.640 -0.000 0.000 0.238 174 D C 0.312 176.611 176.300 -0.002 0.000 1.088 174 D CA -0.638 53.361 54.000 -0.002 0.000 0.854 174 D CB 0.467 41.266 40.800 -0.002 0.000 1.076 174 D HN 0.496 nan 8.370 nan 0.000 0.533 175 R N 3.111 123.609 120.500 -0.003 0.000 2.569 175 R HA 0.237 4.577 4.340 -0.000 0.000 0.422 175 R C 0.248 176.545 176.300 -0.005 0.000 0.980 175 R CA -0.331 55.767 56.100 -0.004 0.000 1.164 175 R CB 0.188 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 0.166 4.506 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 -0.007 0.000 0.823 176 L CB 0.335 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 0.154 120.349 120.200 -0.009 0.000 2.459 177 E HA 0.247 4.597 4.350 -0.000 0.000 0.275 177 E C -0.145 176.448 176.600 -0.012 0.000 0.987 177 E CA -0.880 55.513 56.400 -0.010 0.000 0.828 177 E CB 1.190 30.884 29.700 -0.011 0.000 1.428 177 E HN 0.450 nan 8.360 nan 0.000 0.457 178 N N -0.022 118.670 118.700 -0.013 0.000 2.207 178 N HA -0.036 4.704 4.740 -0.000 0.000 0.182 178 N C 1.378 176.877 175.510 -0.018 0.000 1.020 178 N CA 1.192 54.233 53.050 -0.014 0.000 0.858 178 N CB -0.128 38.351 38.487 -0.014 0.000 0.991 178 N HN 0.554 nan 8.380 nan 0.000 0.427 179 G N -0.486 108.302 108.800 -0.020 0.000 3.141 179 G HA2 0.346 4.306 3.960 -0.000 0.000 0.218 179 G HA3 0.346 4.306 3.960 -0.000 0.000 0.218 179 G C 0.231 175.115 174.900 -0.027 0.000 1.170 179 G CA 0.059 45.143 45.100 -0.026 0.000 0.769 179 G HN 0.404 nan 8.290 nan 0.000 0.546 180 A N -0.175 122.631 122.820 -0.022 0.000 2.511 180 A HA 0.352 4.672 4.320 -0.000 0.000 0.242 180 A C 0.833 178.402 177.584 -0.026 0.000 1.069 180 A CA -0.258 51.766 52.037 -0.022 0.000 0.763 180 A CB -0.077 18.912 19.000 -0.017 0.000 1.001 180 A HN 0.464 nan 8.150 nan 0.000 0.498 181 C N 5.448 124.730 119.300 -0.031 0.000 2.653 181 C HA 0.464 4.924 4.460 -0.000 0.000 0.421 181 C C -1.432 173.540 174.990 -0.030 0.000 1.334 181 C CA -1.395 57.601 59.018 -0.036 0.000 1.885 181 C CB -0.532 27.181 27.740 -0.045 0.000 2.645 181 C HN 0.790 nan 8.230 nan 0.000 0.601 182 P HA 0.359 nan 4.420 nan 0.000 0.275 182 P C -2.643 174.644 177.300 -0.021 0.000 1.228 182 P CA -0.890 62.199 63.100 -0.020 0.000 0.786 182 P CB -0.042 31.649 31.700 -0.015 0.000 0.927 183 P HA 0.349 nan 4.420 nan 0.000 0.274 183 P C -0.469 176.833 177.300 0.003 0.000 1.246 183 P CA -0.144 62.951 63.100 -0.009 0.000 0.795 183 P CB 0.535 32.237 31.700 0.002 0.000 1.006 184 L N 0.471 121.699 121.223 0.009 0.000 2.309 184 L HA 0.678 5.018 4.340 -0.000 0.000 0.261 184 L C -0.028 176.943 176.870 0.169 0.000 1.021 184 L CA -0.570 54.308 54.840 0.063 0.000 0.823 184 L CB 2.152 44.191 42.059 -0.034 0.000 1.366 184 L HN 0.428 nan 8.230 nan 0.000 0.423 185 E N 1.047 121.454 120.200 0.345 0.000 2.380 185 E HA 0.325 4.675 4.350 -0.000 0.000 0.281 185 E C -2.004 174.753 176.600 0.262 0.000 0.999 185 E CA -0.795 55.823 56.400 0.364 0.000 0.800 185 E CB 2.416 32.197 29.700 0.134 0.000 1.228 185 E HN 0.414 nan 8.360 nan 0.000 0.436 186 L N 2.667 123.853 121.223 -0.062 0.000 2.395 186 L HA 0.506 4.846 4.340 -0.000 0.000 0.269 186 L C -0.949 175.743 176.870 -0.297 0.000 1.133 186 L CA 0.381 54.825 54.840 -0.661 0.000 0.812 186 L CB 0.563 42.179 42.059 -0.739 0.000 1.125 186 L HN 0.486 nan 8.230 nan 0.000 0.452 187 K N 2.980 123.246 120.400 -0.222 0.000 2.502 187 K HA 0.426 4.746 4.320 -0.000 0.000 0.257 187 K C -1.329 175.378 176.600 0.178 0.000 0.938 187 K CA -1.014 55.319 56.287 0.077 0.000 0.819 187 K CB 1.808 34.420 32.500 0.187 0.000 1.333 187 K HN 0.521 nan 8.250 nan 0.000 0.434 188 N N 1.488 120.176 118.700 -0.021 0.000 2.477 188 N HA 0.479 5.219 4.740 -0.000 0.000 0.284 188 N C -1.127 174.181 175.510 -0.337 0.000 1.182 188 N CA -0.503 52.416 53.050 -0.219 0.000 0.949 188 N CB 1.345 39.697 38.487 -0.225 0.000 1.204 188 N HN 0.453 nan 8.380 nan 0.000 0.526 189 K N -0.404 119.688 120.400 -0.513 0.000 2.642 189 K HA 0.285 4.605 4.320 -0.000 0.000 0.290 189 K C -1.472 174.724 176.600 -0.674 0.000 1.006 189 K CA -0.601 55.331 56.287 -0.593 0.000 0.869 189 K CB 0.680 32.832 32.500 -0.580 0.000 1.499 189 K HN 0.668 nan 8.250 nan 0.000 0.403 190 H N 0.770 119.578 119.070 -0.436 0.000 2.495 190 H HA 0.407 4.963 4.556 -0.000 0.000 0.350 190 H C -0.219 174.850 175.328 -0.432 0.000 1.202 190 H CA -0.515 55.255 56.048 -0.462 0.000 1.322 190 H CB 0.836 30.271 29.762 -0.545 0.000 1.544 190 H HN 0.254 nan 8.280 nan 0.000 0.565 191 I N 2.060 122.454 120.570 -0.293 0.000 2.312 191 I HA 0.121 4.291 4.170 -0.000 0.000 0.291 191 I C 0.302 176.304 176.117 -0.192 0.000 1.031 191 I CA -0.148 60.955 61.300 -0.330 0.000 1.293 191 I CB 0.559 38.263 38.000 -0.493 0.000 1.403 191 I HN 0.599 nan 8.210 nan 0.000 0.484 192 E N 3.931 124.100 120.200 -0.052 0.000 2.700 192 E HA 0.080 4.430 4.350 -0.000 0.000 0.253 192 E C 0.321 177.005 176.600 0.139 0.000 1.175 192 E CA -0.735 55.772 56.400 0.178 0.000 1.010 192 E CB 0.986 30.817 29.700 0.219 0.000 1.284 192 E HN 0.497 nan 8.360 nan 0.000 0.557 193 D N 0.035 120.583 120.400 0.246 0.000 2.149 193 D HA -0.048 4.592 4.640 -0.000 0.000 0.201 193 D C 0.636 176.995 176.300 0.100 0.000 0.972 193 D CA 0.764 54.863 54.000 0.165 0.000 0.835 193 D CB -0.080 40.851 40.800 0.220 0.000 0.966 193 D HN 0.476 nan 8.370 nan 0.000 0.476 194 G N 1.225 110.078 108.800 0.089 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 -0.569 174.370 174.900 0.065 0.000 1.342 194 G CA -0.507 44.631 45.100 0.063 0.000 1.335 194 G HN -0.012 nan 8.290 nan 0.000 0.609 195 D N 0.608 121.066 120.400 0.096 0.000 2.385 195 D HA 0.417 5.057 4.640 -0.000 0.000 0.254 195 D C 0.439 176.830 176.300 0.151 0.000 1.053 195 D CA -0.452 53.610 54.000 0.103 0.000 0.992 195 D CB 1.329 42.166 40.800 0.062 0.000 1.145 195 D HN -0.035 nan 8.370 nan 0.000 0.523 196 M N 0.929 120.599 119.600 0.117 0.000 2.233 196 M HA 0.270 4.750 4.480 -0.000 0.000 0.355 196 M C 0.118 176.518 176.300 0.166 0.000 1.191 196 M CA -0.720 54.624 55.300 0.073 0.000 1.101 196 M CB 1.292 33.892 32.600 0.001 0.000 1.592 196 M HN 0.377 nan 8.290 nan 0.000 0.461 197 M N 2.502 122.075 119.600 -0.046 0.000 2.202 197 M HA 0.118 4.598 4.480 -0.000 0.000 0.316 197 M C 0.191 176.508 176.300 0.029 0.000 1.138 197 M CA 0.286 55.508 55.300 -0.130 0.000 1.151 197 M CB 0.400 32.816 32.600 -0.306 0.000 1.422 197 M HN 0.498 nan 8.290 nan 0.000 0.471 198 E N 3.842 124.107 120.200 0.109 0.000 2.052 198 E HA 0.204 4.554 4.350 -0.000 0.000 0.283 198 E C -1.380 175.238 176.600 0.031 0.000 1.071 198 E CA -0.109 56.358 56.400 0.112 0.000 0.851 198 E CB -0.309 29.522 29.700 0.218 0.000 1.066 198 E HN 0.658 nan 8.360 nan 0.000 0.396 199 I N 2.904 123.442 120.570 -0.052 0.000 2.395 199 I HA 0.331 4.501 4.170 -0.000 0.000 0.282 199 I C 1.300 177.241 176.117 -0.293 0.000 1.107 199 I CA -0.466 60.745 61.300 -0.149 0.000 1.210 199 I CB 0.538 38.413 38.000 -0.208 0.000 1.456 199 I HN 0.686 nan 8.210 nan 0.000 0.504 200 G N 3.577 112.331 108.800 -0.077 0.000 2.322 200 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.264 200 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.264 200 G C 0.056 175.246 174.900 0.483 0.000 0.992 200 G CA 0.358 45.512 45.100 0.090 0.000 0.624 200 G HN 0.439 nan 8.290 nan 0.000 0.543 201 F N 0.906 120.942 119.950 0.143 0.000 2.556 201 F HA 0.742 5.269 4.527 -0.000 0.000 0.327 201 F C 1.084 177.011 175.800 0.212 0.000 1.059 201 F CA -1.789 56.301 58.000 0.149 0.000 0.953 201 F CB 0.444 39.523 39.000 0.132 0.000 1.227 201 F HN 0.268 nan 8.300 nan 0.000 0.478 202 G N 0.234 109.267 108.800 0.389 0.000 2.647 202 G HA2 0.363 4.323 3.960 -0.000 0.000 0.234 202 G HA3 0.363 4.323 3.960 -0.000 0.000 0.234 202 G C -0.496 174.691 174.900 0.478 0.000 1.252 202 G CA -0.106 45.195 45.100 0.335 0.000 0.846 202 G HN 0.898 nan 8.290 nan 0.000 0.589 203 A N 0.345 123.390 122.820 0.375 0.000 2.309 203 A HA 0.775 5.095 4.320 -0.000 0.000 0.290 203 A C 0.507 178.296 177.584 0.343 0.000 1.206 203 A CA 0.464 52.665 52.037 0.274 0.000 0.850 203 A CB 0.335 19.438 19.000 0.171 0.000 1.118 203 A HN 2.257 nan 8.150 nan 0.000 0.523 204 A N 2.953 125.863 122.820 0.150 0.000 2.597 204 A HA 0.568 4.888 4.320 -0.000 0.000 0.292 204 A C -0.923 176.635 177.584 -0.043 0.000 1.057 204 A CA -0.862 51.300 52.037 0.208 0.000 0.674 204 A CB 0.668 19.977 19.000 0.515 0.000 1.278 204 A HN 1.186 nan 8.150 nan 0.000 0.416 205 N N 1.360 120.111 118.700 0.085 0.000 2.421 205 N HA 0.173 4.913 4.740 -0.000 0.000 0.260 205 N C -0.124 175.519 175.510 0.222 0.000 1.173 205 N CA -0.434 52.666 53.050 0.082 0.000 0.960 205 N CB -0.188 38.356 38.487 0.096 0.000 1.273 205 N HN 0.401 nan 8.380 nan 0.000 0.497 206 F N 1.417 121.423 119.950 0.094 0.000 2.408 206 F HA -0.021 4.506 4.527 -0.000 0.000 0.300 206 F C 1.711 177.542 175.800 0.051 0.000 1.090 206 F CA 0.315 58.360 58.000 0.076 0.000 1.427 206 F CB -0.401 38.657 39.000 0.097 0.000 1.070 206 F HN 0.414 nan 8.300 nan 0.000 0.549 207 K N 0.348 120.890 120.400 0.237 0.000 2.173 207 K HA -0.219 4.101 4.320 -0.000 0.000 0.207 207 K C 1.223 177.884 176.600 0.102 0.000 1.046 207 K CA 1.834 58.206 56.287 0.142 0.000 0.929 207 K CB -0.303 32.259 32.500 0.104 0.000 0.720 207 K HN 0.404 nan 8.250 nan 0.000 0.453 208 E N -0.360 119.902 120.200 0.103 0.000 2.481 208 E HA 0.074 4.424 4.350 -0.000 0.000 0.198 208 E C 1.058 177.686 176.600 0.047 0.000 1.027 208 E CA -0.063 56.373 56.400 0.060 0.000 0.900 208 E CB 0.512 30.240 29.700 0.047 0.000 0.993 208 E HN 0.175 nan 8.360 nan 0.000 0.482 209 I N 0.544 121.154 120.570 0.066 0.000 3.883 209 I HA 0.024 4.194 4.170 -0.000 0.000 0.305 209 I C 0.655 176.733 176.117 -0.066 0.000 1.247 209 I CA 0.339 61.639 61.300 -0.000 0.000 1.350 209 I CB -0.180 37.825 38.000 0.008 0.000 1.194 209 I HN -0.019 nan 8.210 nan 0.000 0.441 210 N N 2.202 120.877 118.700 -0.042 0.000 2.527 210 N HA 0.355 5.095 4.740 -0.000 0.000 0.236 210 N C 0.354 175.842 175.510 -0.037 0.000 0.999 210 N CA 0.063 53.066 53.050 -0.079 0.000 0.935 210 N CB 1.362 39.801 38.487 -0.079 0.000 1.132 210 N HN 0.114 nan 8.380 nan 0.000 0.511 211 A N 2.176 124.964 122.820 -0.054 0.000 2.308 211 A HA 0.181 4.501 4.320 -0.000 0.000 0.217 211 A C 1.339 178.893 177.584 -0.049 0.000 1.216 211 A CA 0.050 52.065 52.037 -0.037 0.000 0.864 211 A CB 0.182 19.161 19.000 -0.036 0.000 0.902 211 A HN 0.553 nan 8.150 nan 0.000 0.499 212 S N -0.464 115.191 115.700 -0.076 0.000 2.497 212 S HA 0.115 4.585 4.470 -0.000 0.000 0.221 212 S C 0.738 175.289 174.600 -0.082 0.000 1.037 212 S CA 0.257 58.403 58.200 -0.090 0.000 0.920 212 S CB 0.254 63.372 63.200 -0.135 0.000 0.800 212 S HN 0.456 nan 8.310 nan 0.000 0.505 213 K N 0.482 120.837 120.400 -0.075 0.000 3.547 213 K HA -0.136 4.184 4.320 -0.000 0.000 0.309 213 K C 0.793 177.326 176.600 -0.112 0.000 1.324 213 K CA 1.330 57.597 56.287 -0.034 0.000 0.988 213 K CB -2.545 29.965 32.500 0.016 0.000 1.261 213 K HN 0.622 nan 8.250 nan 0.000 0.444 214 S N -1.118 114.447 115.700 -0.226 0.000 2.578 214 S HA 0.185 4.655 4.470 -0.000 0.000 0.231 214 S C 0.611 174.817 174.600 -0.657 0.000 0.994 214 S CA -0.105 57.850 58.200 -0.407 0.000 0.956 214 S CB 0.564 63.575 63.200 -0.315 0.000 0.870 214 S HN 0.078 nan 8.310 nan 0.000 0.494 215 D N 1.515 121.635 120.400 -0.466 0.000 2.349 215 D HA 0.415 5.055 4.640 -0.000 0.000 0.214 215 D C 0.029 176.200 176.300 -0.216 0.000 1.063 215 D CA 0.263 53.951 54.000 -0.520 0.000 0.847 215 D CB 0.336 40.880 40.800 -0.427 0.000 0.933 215 D HN 0.430 nan 8.370 nan 0.000 0.513 216 L N -0.735 120.514 121.223 0.043 0.000 2.403 216 L HA 0.516 4.856 4.340 -0.000 0.000 0.253 216 L C -2.596 174.571 176.870 0.496 0.000 1.045 216 L CA -2.439 52.651 54.840 0.416 0.000 0.845 216 L CB 2.194 44.457 42.059 0.340 0.000 1.447 216 L HN -0.408 nan 8.230 nan 0.000 0.411 217 P HA 0.134 nan 4.420 nan 0.000 0.280 217 P C 0.292 177.862 177.300 0.451 0.000 1.244 217 P CA -0.455 62.885 63.100 0.399 0.000 0.784 217 P CB 0.953 32.788 31.700 0.225 0.000 0.913 218 L N 3.973 125.552 121.223 0.594 0.000 2.081 218 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 218 L C 1.560 178.736 176.870 0.510 0.000 1.080 218 L CA 2.232 57.425 54.840 0.588 0.000 0.754 218 L CB -1.141 41.122 42.059 0.341 0.000 0.893 218 L HN 0.389 nan 8.230 nan 0.000 0.433 219 D N -0.979 119.752 120.400 0.551 0.000 2.144 219 D HA -0.247 4.393 4.640 -0.000 0.000 0.199 219 D C 2.154 178.582 176.300 0.213 0.000 0.984 219 D CA 1.562 55.772 54.000 0.351 0.000 0.834 219 D CB -0.660 40.119 40.800 -0.036 0.000 0.955 219 D HN 0.392 nan 8.370 nan 0.000 0.465 220 I N 0.727 121.416 120.570 0.199 0.000 2.400 220 I HA -0.047 4.123 4.170 -0.000 0.000 0.248 220 I C 0.942 177.193 176.117 0.222 0.000 1.109 220 I CA 0.324 61.719 61.300 0.158 0.000 1.425 220 I CB -0.782 37.301 38.000 0.139 0.000 1.094 220 I HN 0.173 nan 8.210 nan 0.000 0.425 221 Q N 1.878 121.856 119.800 0.297 0.000 2.342 221 Q HA -0.270 4.070 4.340 -0.000 0.000 0.330 221 Q C 0.750 176.885 176.000 0.226 0.000 1.117 221 Q CA 1.318 57.301 55.803 0.302 0.000 1.010 221 Q CB 0.092 28.997 28.738 0.278 0.000 1.204 221 Q HN 0.522 nan 8.270 nan 0.000 0.400 222 N N 0.435 119.269 118.700 0.223 0.000 2.863 222 N HA -0.189 4.551 4.740 -0.000 0.000 0.245 222 N C -1.634 173.947 175.510 0.119 0.000 1.001 222 N CA 1.871 55.015 53.050 0.156 0.000 0.901 222 N CB -0.216 38.342 38.487 0.119 0.000 1.124 222 N HN 0.714 nan 8.380 nan 0.000 0.582 223 E N 0.018 120.279 120.200 0.102 0.000 2.336 223 E HA 0.449 4.799 4.350 -0.000 0.000 0.267 223 E C 0.046 176.605 176.600 -0.067 0.000 0.906 223 E CA -0.743 55.680 56.400 0.038 0.000 0.781 223 E CB 1.218 30.947 29.700 0.049 0.000 1.261 223 E HN 0.283 nan 8.360 nan 0.000 0.436 224 I N 1.013 121.546 120.570 -0.061 0.000 2.371 224 I HA 0.146 4.316 4.170 -0.000 0.000 0.290 224 I C 0.094 176.124 176.117 -0.145 0.000 1.028 224 I CA -0.547 60.682 61.300 -0.117 0.000 1.345 224 I CB 0.825 38.828 38.000 0.006 0.000 1.407 224 I HN 0.196 nan 8.210 nan 0.000 0.501 225 C N 7.776 126.918 119.300 -0.265 0.000 2.349 225 C HA 0.411 4.871 4.460 -0.000 0.000 0.348 225 C C 0.649 175.619 174.990 -0.033 0.000 1.223 225 C CA -0.391 58.540 59.018 -0.146 0.000 1.746 225 C CB -0.864 26.736 27.740 -0.233 0.000 2.360 225 C HN 0.610 nan 8.230 nan 0.000 0.533 226 L N 3.366 124.590 121.223 0.002 0.000 2.544 226 L HA 0.651 4.991 4.340 -0.000 0.000 0.256 226 L C -0.581 176.340 176.870 0.086 0.000 1.097 226 L CA -0.699 54.095 54.840 -0.078 0.000 0.812 226 L CB 1.160 43.038 42.059 -0.302 0.000 1.440 226 L HN 0.538 nan 8.230 nan 0.000 0.496 227 Y N -0.501 119.663 120.300 -0.226 0.000 2.656 227 Y HA 0.362 4.912 4.550 -0.000 0.000 0.334 227 Y C -2.646 173.032 175.900 -0.369 0.000 1.179 227 Y CA -2.034 55.955 58.100 -0.186 0.000 1.050 227 Y CB 2.075 40.480 38.460 -0.092 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 -1.094 175.576 177.300 -1.050 0.000 1.307 228 P CA 0.065 62.456 63.100 -1.182 0.000 0.777 228 P CB 0.574 31.245 31.700 -1.716 0.000 0.883 229 D N 2.890 122.902 120.400 -0.647 0.000 2.688 229 D HA 0.016 4.656 4.640 -0.000 0.000 0.228 229 D C 0.636 176.722 176.300 -0.355 0.000 1.116 229 D CA -0.251 53.524 54.000 -0.375 0.000 1.023 229 D CB -0.483 40.155 40.800 -0.269 0.000 1.100 229 D HN 0.306 nan 8.370 nan 0.000 0.487 230 Y N 0.730 120.894 120.300 -0.227 0.000 2.181 230 Y HA -0.272 4.278 4.550 -0.000 0.000 0.284 230 Y C 2.268 178.086 175.900 -0.137 0.000 1.179 230 Y CA 0.748 58.697 58.100 -0.253 0.000 1.179 230 Y CB -0.124 38.185 38.460 -0.252 0.000 0.973 230 Y HN 0.290 nan 8.280 nan 0.000 0.519 231 L N -0.145 121.119 121.223 0.067 0.000 2.012 231 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 231 L C 2.514 179.386 176.870 0.002 0.000 1.073 231 L CA 1.739 56.605 54.840 0.044 0.000 0.748 231 L CB -0.601 41.483 42.059 0.040 0.000 0.891 231 L HN 0.134 nan 8.230 nan 0.000 0.431 232 K N 0.161 120.533 120.400 -0.047 0.000 2.057 232 K HA -0.156 4.164 4.320 -0.000 0.000 0.207 232 K C 2.133 178.700 176.600 -0.054 0.000 1.049 232 K CA 1.436 57.685 56.287 -0.063 0.000 0.931 232 K CB -0.074 32.358 32.500 -0.114 0.000 0.714 232 K HN 0.075 nan 8.250 nan 0.000 0.440 233 M N 0.026 119.580 119.600 -0.077 0.000 2.159 233 M HA -0.046 4.434 4.480 -0.000 0.000 0.263 233 M C 2.147 178.452 176.300 0.008 0.000 1.063 233 M CA 1.739 57.003 55.300 -0.059 0.000 1.110 233 M CB -1.231 31.307 32.600 -0.104 0.000 1.374 233 M HN 0.255 nan 8.290 nan 0.000 0.411 234 A N -0.662 122.177 122.820 0.030 0.000 2.206 234 A HA -0.072 4.248 4.320 -0.000 0.000 0.211 234 A C 2.121 179.736 177.584 0.053 0.000 1.158 234 A CA 1.062 53.137 52.037 0.062 0.000 0.761 234 A CB -0.529 18.517 19.000 0.076 0.000 0.801 234 A HN 0.584 nan 8.150 nan 0.000 0.473 235 E N 0.137 120.357 120.200 0.034 0.000 2.251 235 E HA -0.023 4.327 4.350 -0.000 0.000 0.194 235 E C -0.509 176.113 176.600 0.037 0.000 0.964 235 E CA -0.273 56.147 56.400 0.033 0.000 0.868 235 E CB 0.141 29.854 29.700 0.020 0.000 0.828 235 E HN 0.464 nan 8.360 nan 0.000 0.481 236 D N 1.069 121.488 120.400 0.032 0.000 2.487 236 D HA -0.049 4.591 4.640 -0.000 0.000 0.243 236 D C 0.741 177.082 176.300 0.067 0.000 1.154 236 D CA 0.422 54.446 54.000 0.041 0.000 0.876 236 D CB 1.525 42.345 40.800 0.033 0.000 1.161 236 D HN 0.209 nan 8.370 nan 0.000 0.478 237 A N 3.711 126.574 122.820 0.071 0.000 1.865 237 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 237 A C 2.158 179.815 177.584 0.123 0.000 1.191 237 A CA 2.317 54.410 52.037 0.092 0.000 0.623 237 A CB -0.717 18.337 19.000 0.090 0.000 0.826 237 A HN 0.668 nan 8.150 nan 0.000 0.444 238 A N -1.963 120.937 122.820 0.133 0.000 1.859 238 A HA 0.174 4.494 4.320 -0.000 0.000 0.218 238 A C 2.492 180.191 177.584 0.192 0.000 1.209 238 A CA 2.815 54.963 52.037 0.185 0.000 0.639 238 A CB -1.365 17.743 19.000 0.179 0.000 0.835 238 A HN 2.202 nan 8.150 nan 0.000 0.450 239 G N -2.187 106.707 108.800 0.157 0.000 2.176 239 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.232 239 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.232 239 G C 0.613 175.633 174.900 0.199 0.000 0.986 239 G CA 0.905 46.105 45.100 0.166 0.000 0.643 239 G HN 0.458 nan 8.290 nan 0.000 0.522 240 N N 1.143 119.961 118.700 0.196 0.000 2.192 240 N HA -0.074 4.666 4.740 -0.000 0.000 0.188 240 N C 2.324 177.841 175.510 0.012 0.000 1.013 240 N CA 1.546 54.710 53.050 0.190 0.000 0.863 240 N CB -0.364 38.230 38.487 0.179 0.000 0.990 240 N HN 0.479 nan 8.380 nan 0.000 0.430 241 S N 0.317 116.005 115.700 -0.019 0.000 2.374 241 S HA -0.109 4.361 4.470 -0.000 0.000 0.227 241 S C 0.940 175.440 174.600 -0.167 0.000 1.037 241 S CA 1.345 59.473 58.200 -0.119 0.000 1.024 241 S CB -0.206 62.935 63.200 -0.098 0.000 0.861 241 S HN 0.569 nan 8.310 nan 0.000 0.456 242 M N -1.998 117.559 119.600 -0.072 0.000 2.274 242 M HA 0.430 4.910 4.480 -0.000 0.000 0.272 242 M C -0.798 175.605 176.300 0.173 0.000 1.053 242 M CA -0.558 54.699 55.300 -0.072 0.000 0.978 242 M CB 0.918 33.490 32.600 -0.047 0.000 1.836 242 M HN -0.205 nan 8.290 nan 0.000 0.484 243 F N 2.438 122.475 119.950 0.145 0.000 2.146 243 F HA 0.250 4.777 4.527 0.000 0.000 0.298 243 F C 0.742 176.755 175.800 0.355 0.000 1.096 243 F CA 0.838 58.986 58.000 0.246 0.000 1.275 243 F CB -0.372 38.822 39.000 0.323 0.000 1.008 243 F HN 0.736 nan 8.300 nan 0.000 0.480 244 F N -2.525 117.578 119.950 0.255 0.000 3.052 244 F HA 0.563 5.090 4.527 -0.000 0.000 0.323 244 F C -1.473 174.426 175.800 0.164 0.000 1.178 244 F CA -2.387 55.689 58.000 0.125 0.000 0.892 244 F CB 1.669 40.674 39.000 0.009 0.000 1.416 244 F HN -0.162 nan 8.300 nan 0.000 0.488 245 F N -0.261 119.391 119.950 -0.496 0.000 2.793 245 F HA 0.836 5.363 4.527 -0.000 0.000 0.316 245 F C -1.934 173.677 175.800 -0.314 0.000 1.147 245 F CA -0.985 56.665 58.000 -0.584 0.000 0.930 245 F CB 0.748 39.566 39.000 -0.303 0.000 1.277 245 F HN 1.165 nan 8.300 nan 0.000 0.443 246 A N 2.483 125.177 122.820 -0.210 0.000 2.475 246 A HA 0.984 5.304 4.320 -0.000 0.000 0.301 246 A C -1.299 176.316 177.584 0.051 0.000 1.059 246 A CA -0.826 51.092 52.037 -0.199 0.000 0.710 246 A CB 2.037 20.875 19.000 -0.270 0.000 1.288 246 A HN 1.334 nan 8.150 nan 0.000 0.408 247 R N 0.921 121.452 120.500 0.052 0.000 2.566 247 R HA 0.751 5.091 4.340 -0.000 0.000 0.271 247 R C -1.737 174.598 176.300 0.058 0.000 1.071 247 R CA -0.813 55.346 56.100 0.099 0.000 0.915 247 R CB 1.648 32.053 30.300 0.175 0.000 1.228 247 R HN 0.481 nan 8.270 nan 0.000 0.449 248 K N 2.179 122.619 120.400 0.067 0.000 2.565 248 K HA 0.223 4.543 4.320 -0.000 0.000 0.249 248 K C -1.639 175.013 176.600 0.086 0.000 0.958 248 K CA -0.684 55.640 56.287 0.062 0.000 0.806 248 K CB 2.321 34.847 32.500 0.043 0.000 1.194 248 K HN 0.836 nan 8.250 nan 0.000 0.434 249 E N 3.229 123.484 120.200 0.092 0.000 2.311 249 E HA 0.245 4.595 4.350 -0.000 0.000 0.281 249 E C -1.383 175.277 176.600 0.099 0.000 0.905 249 E CA -0.870 55.593 56.400 0.106 0.000 0.778 249 E CB 1.877 31.659 29.700 0.138 0.000 1.240 249 E HN 0.382 nan 8.360 nan 0.000 0.410 250 Q N 1.390 121.248 119.800 0.096 0.000 2.377 250 Q HA 0.765 5.105 4.340 -0.000 0.000 0.271 250 Q C -1.347 174.736 176.000 0.138 0.000 1.077 250 Q CA -1.097 54.766 55.803 0.099 0.000 0.820 250 Q CB 3.041 31.820 28.738 0.070 0.000 1.347 250 Q HN 0.471 nan 8.270 nan 0.000 0.444 251 V N 2.014 122.034 119.914 0.178 0.000 3.282 251 V HA 0.750 4.870 4.120 -0.000 0.000 0.295 251 V C -2.277 174.030 176.094 0.355 0.000 1.451 251 V CA -0.474 61.973 62.300 0.244 0.000 1.062 251 V CB 2.464 34.368 31.823 0.136 0.000 1.128 251 V HN 0.869 nan 8.190 nan 0.000 0.456 252 Y N 1.600 121.906 120.300 0.009 0.000 2.717 252 Y HA 0.681 5.231 4.550 -0.000 0.000 0.345 252 Y C -0.812 175.072 175.900 -0.027 0.000 1.187 252 Y CA -0.862 57.234 58.100 -0.006 0.000 1.128 252 Y CB 0.818 39.270 38.460 -0.013 0.000 1.360 252 Y HN 1.014 nan 8.280 nan 0.000 0.467 253 V N 0.736 120.517 119.914 -0.222 0.000 2.843 253 V HA 0.460 4.580 4.120 -0.000 0.000 0.305 253 V C 0.575 176.351 176.094 -0.530 0.000 1.065 253 V CA 0.391 62.495 62.300 -0.326 0.000 1.116 253 V CB 1.467 33.193 31.823 -0.162 0.000 0.968 253 V HN 1.110 nan 8.190 nan 0.000 0.487 254 R N 0.851 121.038 120.500 -0.523 0.000 2.507 254 R HA 0.337 4.677 4.340 -0.000 0.000 0.230 254 R C 0.263 176.208 176.300 -0.591 0.000 0.897 254 R CA -0.139 55.631 56.100 -0.551 0.000 1.006 254 R CB 0.523 30.472 30.300 -0.585 0.000 1.341 254 R HN 0.956 nan 8.270 nan 0.000 0.604 255 H N -0.891 117.985 119.070 -0.324 0.000 2.990 255 H HA 0.419 4.975 4.556 -0.000 0.000 0.336 255 H C -1.192 173.803 175.328 -0.554 0.000 1.306 255 H CA -0.610 55.255 56.048 -0.305 0.000 1.118 255 H CB 1.733 31.366 29.762 -0.217 0.000 1.856 255 H HN -0.047 nan 8.280 nan 0.000 0.538 256 I N 1.243 121.639 120.570 -0.291 0.000 2.512 256 I HA 0.198 4.368 4.170 -0.000 0.000 0.287 256 I C -0.915 175.088 176.117 -0.190 0.000 1.069 256 I CA -0.608 60.466 61.300 -0.377 0.000 1.056 256 I CB 1.789 39.698 38.000 -0.151 0.000 1.229 256 I HN 0.157 nan 8.210 nan 0.000 0.429 257 W N 3.168 124.188 121.300 -0.466 0.000 2.869 257 W HA 0.697 5.357 4.660 -0.000 0.000 0.345 257 W C -0.103 176.197 176.519 -0.366 0.000 1.191 257 W CA -1.043 56.051 57.345 -0.417 0.000 1.104 257 W CB 1.185 30.398 29.460 -0.412 0.000 1.471 257 W HN 0.359 nan 8.180 nan 0.000 0.612 258 T N -0.453 114.197 114.554 0.160 0.000 2.881 258 T HA 0.540 4.890 4.350 -0.000 0.000 0.290 258 T C 0.005 174.807 174.700 0.169 0.000 1.000 258 T CA -0.953 61.201 62.100 0.089 0.000 0.978 258 T CB 2.148 71.030 68.868 0.023 0.000 0.997 258 T HN 0.102 nan 8.240 nan 0.000 0.443 259 R N 1.496 122.083 120.500 0.145 0.000 2.893 259 R HA 0.456 4.796 4.340 -0.000 0.000 0.279 259 R C 1.350 177.633 176.300 -0.028 0.000 1.076 259 R CA -0.053 56.072 56.100 0.041 0.000 1.203 259 R CB -0.201 30.070 30.300 -0.049 0.000 1.137 259 R HN 1.019 nan 8.270 nan 0.000 0.541 260 G N -0.794 107.962 108.800 -0.073 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 0.245 175.099 174.900 -0.078 0.000 1.040 260 G CA 0.065 45.123 45.100 -0.069 0.000 0.829 260 G HN 0.603 nan 8.290 nan 0.000 0.505 261 G N 0.064 108.812 108.800 -0.087 0.000 2.425 261 G HA2 0.426 4.386 3.960 -0.000 0.000 0.302 261 G HA3 0.426 4.386 3.960 -0.000 0.000 0.302 261 G C 0.097 174.954 174.900 -0.071 0.000 1.159 261 G CA -0.133 44.917 45.100 -0.083 0.000 0.865 261 G HN 0.227 nan 8.290 nan 0.000 0.515 262 S N -0.224 115.439 115.700 -0.062 0.000 2.572 262 S HA 0.141 4.611 4.470 -0.000 0.000 0.279 262 S C 0.256 174.823 174.600 -0.056 0.000 1.341 262 S CA -0.159 58.008 58.200 -0.054 0.000 1.043 262 S CB 0.289 63.461 63.200 -0.046 0.000 0.887 262 S HN 0.500 nan 8.310 nan 0.000 0.516 263 E N 2.580 122.748 120.200 -0.053 0.000 2.197 263 E HA 0.244 4.594 4.350 -0.000 0.000 0.281 263 E C 0.087 176.663 176.600 -0.040 0.000 0.995 263 E CA -0.802 55.567 56.400 -0.051 0.000 0.808 263 E CB 1.020 30.688 29.700 -0.054 0.000 1.093 263 E HN 0.466 nan 8.360 nan 0.000 0.394 264 K N 1.786 122.163 120.400 -0.038 0.000 2.374 264 K HA 0.043 4.363 4.320 -0.000 0.000 0.196 264 K C -0.304 176.282 176.600 -0.022 0.000 1.023 264 K CA 0.404 56.673 56.287 -0.029 0.000 1.103 264 K CB 0.356 32.838 32.500 -0.031 0.000 0.848 264 K HN 0.616 nan 8.250 nan 0.000 0.528 265 E N -0.298 119.888 120.200 -0.024 0.000 2.466 265 E HA 0.510 4.860 4.350 -0.000 0.000 0.308 265 E C -1.293 175.301 176.600 -0.010 0.000 0.933 265 E CA -0.572 55.822 56.400 -0.011 0.000 0.800 265 E CB 1.191 30.883 29.700 -0.013 0.000 1.434 265 E HN -0.049 nan 8.360 nan 0.000 0.389 266 A N 3.763 126.584 122.820 0.002 0.000 2.269 266 A HA 0.780 5.100 4.320 -0.000 0.000 0.327 266 A C -2.192 175.423 177.584 0.053 0.000 1.112 266 A CA -1.525 50.514 52.037 0.003 0.000 0.865 266 A CB 0.200 19.190 19.000 -0.017 0.000 1.227 266 A HN 0.612 nan 8.150 nan 0.000 0.498 267 P HA 0.184 nan 4.420 nan 0.000 0.271 267 P C -0.095 177.352 177.300 0.244 0.000 1.226 267 P CA 0.191 63.407 63.100 0.192 0.000 0.765 267 P CB 0.245 32.051 31.700 0.176 0.000 0.835 268 T N 1.958 116.665 114.554 0.254 0.000 2.791 268 T HA 0.001 4.351 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 0.786 62.977 62.100 0.152 0.000 1.084 268 T CB -0.043 68.865 68.868 0.067 0.000 0.992 268 T HN 0.600 nan 8.240 nan 0.000 0.547 269 T N -0.625 113.983 114.554 0.090 0.000 2.996 269 T HA -0.164 4.186 4.350 -0.000 0.000 0.271 269 T C 1.359 176.040 174.700 -0.031 0.000 1.126 269 T CA 1.284 63.416 62.100 0.054 0.000 1.103 269 T CB -0.353 68.524 68.868 0.014 0.000 0.870 269 T HN 0.757 nan 8.240 nan 0.000 0.528 270 D N -0.332 120.000 120.400 -0.114 0.000 2.347 270 D HA -0.012 4.628 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 0.279 54.121 54.000 -0.262 0.000 0.884 270 D CB -0.428 40.133 40.800 -0.397 0.000 0.915 270 D HN 0.492 nan 8.370 nan 0.000 0.526 271 F N -0.402 119.574 119.950 0.042 0.000 2.537 271 F HA 0.215 4.742 4.527 -0.000 0.000 0.277 271 F C 0.360 176.214 175.800 0.090 0.000 1.013 271 F CA -0.596 57.439 58.000 0.059 0.000 1.332 271 F CB -0.411 38.633 39.000 0.074 0.000 1.108 271 F HN -0.175 nan 8.300 nan 0.000 0.679 272 Y N 2.172 122.594 120.300 0.202 0.000 2.367 272 Y HA 0.546 5.096 4.550 -0.000 0.000 0.342 272 Y C -0.815 175.124 175.900 0.066 0.000 0.979 272 Y CA -1.995 56.174 58.100 0.115 0.000 1.161 272 Y CB 0.709 39.227 38.460 0.096 0.000 1.155 272 Y HN -0.042 nan 8.280 nan 0.000 0.503 273 L N 7.412 128.273 121.223 -0.604 0.000 2.260 273 L HA 0.376 4.716 4.340 -0.000 0.000 0.289 273 L C -0.049 176.270 176.870 -0.919 0.000 1.057 273 L CA -0.305 54.179 54.840 -0.593 0.000 0.811 273 L CB 0.330 42.243 42.059 -0.243 0.000 1.184 273 L HN 0.747 nan 8.230 nan 0.000 0.429 274 K N 4.283 124.222 120.400 -0.768 0.000 2.286 274 K HA 0.156 4.476 4.320 -0.000 0.000 0.256 274 K C -0.306 176.211 176.600 -0.138 0.000 0.999 274 K CA -0.146 55.907 56.287 -0.389 0.000 0.908 274 K CB 0.453 32.874 32.500 -0.132 0.000 0.981 274 K HN 0.940 nan 8.250 nan 0.000 0.500 275 N N 1.139 119.842 118.700 0.004 0.000 2.629 275 N HA 0.100 4.840 4.740 -0.000 0.000 0.279 275 N C -1.095 174.431 175.510 0.026 0.000 1.344 275 N CA -0.788 52.270 53.050 0.015 0.000 0.789 275 N CB 0.485 38.999 38.487 0.045 0.000 1.508 275 N HN 0.452 nan 8.380 nan 0.000 0.516 276 N N 0.740 119.451 118.700 0.018 0.000 2.412 276 N HA -0.092 4.648 4.740 -0.000 0.000 0.258 276 N C 0.563 176.089 175.510 0.025 0.000 1.236 276 N CA 0.771 53.831 53.050 0.017 0.000 0.882 276 N CB 0.262 38.756 38.487 0.012 0.000 1.066 276 N HN 0.799 nan 8.380 nan 0.000 0.465 277 K N -0.266 120.148 120.400 0.023 0.000 3.426 277 K HA -0.198 4.122 4.320 -0.000 0.000 0.315 277 K C 0.591 177.212 176.600 0.035 0.000 1.293 277 K CA 1.184 57.486 56.287 0.025 0.000 0.955 277 K CB -1.300 31.212 32.500 0.020 0.000 1.238 277 K HN 0.727 nan 8.250 nan 0.000 0.441 278 G N 0.120 108.950 108.800 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 -0.545 174.400 174.900 0.075 0.000 1.389 278 G CA -0.145 45.000 45.100 0.075 0.000 1.050 278 G HN 0.282 nan 8.290 nan 0.000 0.522 279 D N -0.839 119.620 120.400 0.098 0.000 2.248 279 D HA 0.463 5.103 4.640 -0.000 0.000 0.246 279 D C 1.204 177.581 176.300 0.129 0.000 1.027 279 D CA 0.012 54.059 54.000 0.079 0.000 0.853 279 D CB 1.925 42.748 40.800 0.037 0.000 1.243 279 D HN 0.326 nan 8.370 nan 0.000 0.462 280 A N 2.016 124.894 122.820 0.096 0.000 1.892 280 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 280 A C 1.073 178.752 177.584 0.160 0.000 1.188 280 A CA 1.413 53.517 52.037 0.113 0.000 0.631 280 A CB -0.267 18.771 19.000 0.064 0.000 0.822 280 A HN 0.523 nan 8.150 nan 0.000 0.447 281 T N -0.553 114.055 114.554 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 -0.060 0.000 1.030 281 T CA -0.554 61.575 62.100 0.049 0.000 1.020 281 T CB 1.471 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 2.549 123.666 121.223 -0.176 0.000 2.380 282 L HA 0.321 4.661 4.340 -0.000 0.000 0.273 282 L C 1.293 178.080 176.870 -0.139 0.000 1.138 282 L CA 0.025 54.700 54.840 -0.275 0.000 0.832 282 L CB 0.767 42.591 42.059 -0.392 0.000 1.124 282 L HN 0.700 nan 8.230 nan 0.000 0.454 283 K N 2.608 122.938 120.400 -0.117 0.000 2.387 283 K HA 0.286 4.606 4.320 -0.000 0.000 0.197 283 K C 0.194 176.751 176.600 -0.071 0.000 1.127 283 K CA -0.124 56.118 56.287 -0.075 0.000 0.950 283 K CB 0.622 33.090 32.500 -0.054 0.000 1.017 283 K HN 0.361 nan 8.250 nan 0.000 0.519 284 I N 5.177 125.702 120.570 -0.076 0.000 2.533 284 I HA 0.062 4.232 4.170 -0.000 0.000 0.284 284 I C -2.065 174.008 176.117 -0.072 0.000 1.109 284 I CA -2.398 58.864 61.300 -0.063 0.000 1.412 284 I CB 0.190 38.160 38.000 -0.050 0.000 1.396 284 I HN -0.001 nan 8.210 nan 0.000 0.543 285 P HA -0.008 nan 4.420 nan 0.000 0.266 285 P C -0.336 176.890 177.300 -0.122 0.000 1.193 285 P CA -0.077 62.968 63.100 -0.091 0.000 0.770 285 P CB 0.479 32.124 31.700 -0.091 0.000 0.836 286 S N 1.048 116.661 115.700 -0.146 0.000 2.060 286 S HA 0.399 4.869 4.470 -0.000 0.000 0.156 286 S C -0.402 173.983 174.600 -0.358 0.000 1.690 286 S CA -0.684 57.384 58.200 -0.219 0.000 1.238 286 S CB -0.390 62.788 63.200 -0.037 0.000 1.150 286 S HN 0.177 nan 8.310 nan 0.000 0.437 287 V N 3.804 123.437 119.914 -0.468 0.000 2.409 287 V HA 0.450 4.570 4.120 -0.000 0.000 0.291 287 V C -0.611 175.175 176.094 -0.513 0.000 1.020 287 V CA -0.570 61.524 62.300 -0.343 0.000 0.848 287 V CB 1.093 32.836 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 0.013 0.000 2.697 288 H HA 0.336 4.892 4.556 -0.000 0.000 0.270 288 H C -0.580 174.706 175.328 -0.070 0.000 1.188 288 H CA -0.305 55.710 56.048 -0.053 0.000 1.322 288 H CB 0.804 30.525 29.762 -0.069 0.000 1.405 288 H HN 0.642 nan 8.280 nan 0.000 0.502 289 F N 0.227 120.171 119.950 -0.010 0.000 2.422 289 F HA 0.719 5.246 4.527 -0.000 0.000 0.333 289 F C 0.443 176.171 175.800 -0.120 0.000 1.095 289 F CA -1.188 56.763 58.000 -0.081 0.000 1.038 289 F CB 1.091 39.989 39.000 -0.170 0.000 1.156 289 F HN 0.287 nan 8.300 nan 0.000 0.483 290 G N 1.079 109.742 108.800 -0.228 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 -0.996 173.743 174.900 -0.267 0.000 1.175 290 G CA -0.680 44.183 45.100 -0.395 0.000 0.907 290 G HN 1.014 nan 8.290 nan 0.000 0.509 291 S N 1.517 116.898 115.700 -0.532 0.000 2.499 291 S HA 0.550 5.020 4.470 -0.000 0.000 0.279 291 S C -2.316 172.180 174.600 -0.173 0.000 1.219 291 S CA -1.275 56.726 58.200 -0.332 0.000 1.062 291 S CB 1.814 64.613 63.200 -0.669 0.000 0.978 291 S HN 0.462 nan 8.310 nan 0.000 0.489 292 P HA 0.197 nan 4.420 nan 0.000 0.271 292 P C -0.621 176.595 177.300 -0.140 0.000 1.216 292 P CA -0.190 62.883 63.100 -0.045 0.000 0.771 292 P CB 1.038 32.757 31.700 0.032 0.000 0.864 293 S N 1.909 117.459 115.700 -0.249 0.000 2.502 293 S HA 0.635 5.105 4.470 -0.000 0.000 0.304 293 S C 0.002 174.615 174.600 0.022 0.000 1.097 293 S CA -0.674 57.357 58.200 -0.282 0.000 1.045 293 S CB 0.506 63.102 63.200 -1.006 0.000 1.019 293 S HN 0.533 nan 8.310 nan 0.000 0.481 294 G N 2.505 111.362 108.800 0.096 0.000 2.353 294 G HA2 0.430 4.390 3.960 -0.000 0.000 0.284 294 G HA3 0.430 4.390 3.960 -0.000 0.000 0.284 294 G C 0.044 175.071 174.900 0.211 0.000 1.172 294 G CA -0.374 44.812 45.100 0.143 0.000 0.854 294 G HN 0.725 nan 8.290 nan 0.000 0.485 295 S N 0.810 116.618 115.700 0.180 0.000 2.593 295 S HA 0.299 4.769 4.470 -0.000 0.000 0.269 295 S C 0.714 175.355 174.600 0.068 0.000 1.334 295 S CA -0.829 57.432 58.200 0.102 0.000 1.015 295 S CB 0.051 63.275 63.200 0.041 0.000 0.912 295 S HN 0.853 nan 8.310 nan 0.000 0.541 296 L N 3.460 124.703 121.223 0.034 0.000 2.490 296 L HA 0.524 4.864 4.340 -0.000 0.000 0.274 296 L C 0.159 177.047 176.870 0.031 0.000 1.201 296 L CA -0.019 54.839 54.840 0.031 0.000 0.869 296 L CB -0.525 41.541 42.059 0.013 0.000 1.123 296 L HN 0.312 nan 8.230 nan 0.000 0.484 297 V N 3.522 123.458 119.914 0.037 0.000 2.612 297 V HA 0.839 4.959 4.120 -0.000 0.000 0.301 297 V C 0.372 176.485 176.094 0.032 0.000 1.046 297 V CA 0.448 62.772 62.300 0.040 0.000 0.946 297 V CB 1.767 33.618 31.823 0.047 0.000 1.003 297 V HN 1.340 nan 8.190 nan 0.000 0.459 298 S N 2.756 118.476 115.700 0.034 0.000 2.715 298 S HA 0.436 4.906 4.470 -0.000 0.000 0.307 298 S C 0.784 175.404 174.600 0.032 0.000 1.119 298 S CA 0.105 58.321 58.200 0.027 0.000 0.937 298 S CB 1.537 64.749 63.200 0.020 0.000 1.150 298 S HN 0.948 nan 8.310 nan 0.000 0.521 299 T N -1.286 113.283 114.554 0.024 0.000 3.088 299 T HA 0.031 4.381 4.350 -0.000 0.000 0.259 299 T C 0.960 175.676 174.700 0.026 0.000 1.122 299 T CA 1.004 63.119 62.100 0.025 0.000 1.095 299 T CB -0.555 68.323 68.868 0.016 0.000 0.930 299 T HN 0.802 nan 8.240 nan 0.000 0.508 300 D N 0.304 120.718 120.400 0.023 0.000 2.431 300 D HA 0.002 4.642 4.640 -0.000 0.000 0.227 300 D C 1.742 178.056 176.300 0.023 0.000 1.030 300 D CA -0.072 53.938 54.000 0.018 0.000 0.897 300 D CB -0.462 40.343 40.800 0.010 0.000 1.058 300 D HN 0.157 nan 8.370 nan 0.000 0.500 301 N N 1.309 120.027 118.700 0.030 0.000 2.188 301 N HA -0.090 4.650 4.740 -0.000 0.000 0.184 301 N C 0.584 176.124 175.510 0.051 0.000 1.018 301 N CA 0.431 53.502 53.050 0.035 0.000 0.858 301 N CB 0.100 38.610 38.487 0.038 0.000 0.989 301 N HN 0.527 nan 8.380 nan 0.000 0.426 302 Q N 1.610 121.458 119.800 0.080 0.000 2.300 302 Q HA 0.045 4.385 4.340 -0.000 0.000 0.280 302 Q C 0.340 176.394 176.000 0.089 0.000 1.033 302 Q CA 0.121 56.011 55.803 0.144 0.000 0.903 302 Q CB 0.055 28.919 28.738 0.211 0.000 1.195 302 Q HN 0.330 nan 8.270 nan 0.000 0.386 303 I N 0.316 120.857 120.570 -0.048 0.000 2.206 303 I HA 0.448 4.618 4.170 -0.000 0.000 0.292 303 I C -1.332 174.343 176.117 -0.736 0.000 1.156 303 I CA -0.366 60.764 61.300 -0.282 0.000 1.356 303 I CB -0.689 37.138 38.000 -0.288 0.000 1.494 303 I HN 0.462 nan 8.210 nan 0.000 0.601 304 F N 2.173 122.163 119.950 0.066 0.000 2.741 304 F HA 0.352 4.879 4.527 -0.000 0.000 0.313 304 F C 0.710 176.488 175.800 -0.037 0.000 1.153 304 F CA -0.998 57.028 58.000 0.043 0.000 0.931 304 F CB 1.210 40.245 39.000 0.058 0.000 1.335 304 F HN 0.432 nan 8.300 nan 0.000 0.460 305 N N -0.709 118.101 118.700 0.184 0.000 2.863 305 N HA -0.235 4.505 4.740 -0.000 0.000 0.245 305 N C -0.659 174.800 175.510 -0.085 0.000 1.001 305 N CA 0.558 53.631 53.050 0.039 0.000 0.901 305 N CB -0.886 37.630 38.487 0.048 0.000 1.124 305 N HN 0.440 nan 8.380 nan 0.000 0.582 306 R N 1.434 121.811 120.500 -0.205 0.000 2.247 306 R HA 0.287 4.627 4.340 -0.000 0.000 0.329 306 R C -2.511 173.371 176.300 -0.696 0.000 1.014 306 R CA -1.628 54.228 56.100 -0.407 0.000 0.907 306 R CB 0.728 30.741 30.300 -0.478 0.000 1.146 306 R HN 0.057 nan 8.270 nan 0.000 0.499 307 P HA -0.148 nan 4.420 nan 0.000 0.261 307 P C -1.075 175.579 177.300 -1.077 0.000 1.183 307 P CA 0.546 63.178 63.100 -0.781 0.000 0.761 307 P CB 0.379 31.633 31.700 -0.743 0.000 0.785 308 Y N 2.170 122.036 120.300 -0.722 0.000 2.434 308 Y HA 0.247 4.797 4.550 -0.000 0.000 0.341 308 Y C 0.396 175.897 175.900 -0.664 0.000 0.965 308 Y CA -0.545 57.194 58.100 -0.601 0.000 1.205 308 Y CB 0.626 38.837 38.460 -0.415 0.000 1.121 308 Y HN 0.372 nan 8.280 nan 0.000 0.507 309 W N 5.915 127.232 121.300 0.028 0.000 2.358 309 W HA 0.372 5.032 4.660 0.000 0.000 0.307 309 W C -0.612 175.856 176.519 -0.085 0.000 1.203 309 W CA -0.841 56.491 57.345 -0.021 0.000 1.279 309 W CB 0.634 30.219 29.460 0.209 0.000 1.264 309 W HN 0.298 nan 8.180 nan 0.000 0.474 310 L N 5.035 126.222 121.223 -0.060 0.000 2.268 310 L HA 0.312 4.652 4.340 -0.000 0.000 0.289 310 L C -0.317 176.447 176.870 -0.176 0.000 1.064 310 L CA 0.179 54.930 54.840 -0.149 0.000 0.824 310 L CB -0.101 41.824 42.059 -0.223 0.000 1.202 310 L HN 0.476 nan 8.230 nan 0.000 0.433 311 F N 3.388 123.345 119.950 0.012 0.000 2.622 311 F HA 0.371 4.898 4.527 -0.000 0.000 0.288 311 F C 0.723 176.520 175.800 -0.004 0.000 1.120 311 F CA -0.049 57.959 58.000 0.013 0.000 1.423 311 F CB 0.257 39.264 39.000 0.012 0.000 1.127 311 F HN 0.301 nan 8.300 nan 0.000 0.588 312 R N -0.009 120.582 120.500 0.152 0.000 2.515 312 R HA 0.575 4.915 4.340 -0.000 0.000 0.278 312 R C -0.499 175.847 176.300 0.078 0.000 1.107 312 R CA -0.539 55.612 56.100 0.084 0.000 0.945 312 R CB 1.168 31.521 30.300 0.089 0.000 1.219 312 R HN 0.020 nan 8.270 nan 0.000 0.434 313 A N 1.838 124.693 122.820 0.057 0.000 2.251 313 A HA 0.193 4.513 4.320 -0.000 0.000 0.278 313 A C 0.777 178.435 177.584 0.122 0.000 1.206 313 A CA -0.157 51.949 52.037 0.115 0.000 0.822 313 A CB 0.355 19.416 19.000 0.101 0.000 1.187 313 A HN 0.724 nan 8.150 nan 0.000 0.504 314 Q N -0.788 119.108 119.800 0.161 0.000 2.204 314 Q HA 0.440 4.780 4.340 -0.000 0.000 0.209 314 Q C 0.345 176.420 176.000 0.126 0.000 0.861 314 Q CA 0.204 56.090 55.803 0.138 0.000 0.971 314 Q CB 0.133 28.968 28.738 0.162 0.000 1.095 314 Q HN 0.776 nan 8.270 nan 0.000 0.486 315 G N 0.124 108.999 108.800 0.124 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 -0.480 174.481 174.900 0.102 0.000 1.392 315 G CA -0.910 44.264 45.100 0.123 0.000 0.810 315 G HN 0.064 nan 8.290 nan 0.000 0.508 316 M N 0.675 120.342 119.600 0.112 0.000 2.628 316 M HA 0.212 4.692 4.480 -0.000 0.000 0.232 316 M C 0.808 177.160 176.300 0.087 0.000 1.128 316 M CA -0.070 55.285 55.300 0.092 0.000 1.040 316 M CB -0.405 32.265 32.600 0.117 0.000 1.608 316 M HN 0.523 nan 8.290 nan 0.000 0.507 317 N N 1.257 120.017 118.700 0.101 0.000 2.800 317 N HA 0.123 4.863 4.740 -0.000 0.000 0.240 317 N C -0.707 174.757 175.510 -0.078 0.000 1.096 317 N CA -0.176 52.904 53.050 0.049 0.000 0.877 317 N CB 0.344 38.925 38.487 0.157 0.000 1.138 317 N HN 0.388 nan 8.380 nan 0.000 0.509 318 N N 2.578 121.198 118.700 -0.133 0.000 3.027 318 N HA 0.104 4.844 4.740 -0.000 0.000 0.309 318 N C 0.438 175.720 175.510 -0.380 0.000 1.222 318 N CA -0.233 52.705 53.050 -0.186 0.000 1.187 318 N CB 0.116 38.533 38.487 -0.117 0.000 1.458 318 N HN 0.569 nan 8.380 nan 0.000 0.535 319 G N 1.254 109.603 108.800 -0.752 0.000 2.289 319 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.280 319 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.280 319 G C -0.295 174.141 174.900 -0.774 0.000 1.089 319 G CA -0.521 43.842 45.100 -1.229 0.000 0.939 319 G HN 0.499 nan 8.290 nan 0.000 0.499 320 I N 0.842 121.004 120.570 -0.680 0.000 2.312 320 I HA 0.521 4.691 4.170 -0.000 0.000 0.290 320 I C 1.045 176.912 176.117 -0.416 0.000 1.008 320 I CA -1.058 59.869 61.300 -0.622 0.000 1.226 320 I CB 1.055 38.410 38.000 -1.074 0.000 1.371 320 I HN 0.450 nan 8.210 nan 0.000 0.468 321 A N 7.842 130.577 122.820 -0.142 0.000 2.981 321 A HA 0.118 4.438 4.320 -0.000 0.000 0.280 321 A C -0.129 177.551 177.584 0.160 0.000 1.743 321 A CA -0.455 51.650 52.037 0.113 0.000 1.430 321 A CB -0.780 18.340 19.000 0.200 0.000 1.085 321 A HN 0.722 nan 8.150 nan 0.000 0.597 322 W N 1.303 122.704 121.300 0.168 0.000 2.210 322 W HA 0.167 4.827 4.660 -0.000 0.000 0.330 322 W C 0.809 177.356 176.519 0.047 0.000 1.334 322 W CA -0.379 57.018 57.345 0.086 0.000 1.227 322 W CB 0.339 29.857 29.460 0.096 0.000 1.178 322 W HN 0.787 nan 8.180 nan 0.000 0.560 323 N N 1.800 120.640 118.700 0.233 0.000 2.850 323 N HA -0.283 4.457 4.740 -0.000 0.000 0.249 323 N C -0.539 175.043 175.510 0.119 0.000 1.060 323 N CA 1.434 54.536 53.050 0.086 0.000 0.825 323 N CB -1.864 36.701 38.487 0.130 0.000 1.132 323 N HN 0.758 nan 8.380 nan 0.000 0.564 324 N N -1.007 117.784 118.700 0.152 0.000 2.686 324 N HA -0.240 4.500 4.740 -0.000 0.000 0.261 324 N C -1.131 174.472 175.510 0.156 0.000 1.001 324 N CA 0.769 53.923 53.050 0.174 0.000 0.764 324 N CB -0.441 38.127 38.487 0.135 0.000 0.898 324 N HN 0.296 nan 8.380 nan 0.000 0.544 325 L N 0.665 121.992 121.223 0.173 0.000 2.506 325 L HA 0.643 4.983 4.340 -0.000 0.000 0.257 325 L C -1.313 175.643 176.870 0.143 0.000 0.964 325 L CA -0.552 54.371 54.840 0.138 0.000 0.836 325 L CB 2.093 44.286 42.059 0.223 0.000 1.384 325 L HN 0.097 nan 8.230 nan 0.000 0.410 326 L N 2.654 123.879 121.223 0.003 0.000 2.371 326 L HA 0.579 4.919 4.340 -0.000 0.000 0.262 326 L C -1.568 175.211 176.870 -0.152 0.000 1.006 326 L CA -0.546 54.294 54.840 -0.001 0.000 0.818 326 L CB 2.437 44.428 42.059 -0.112 0.000 1.354 326 L HN 0.418 nan 8.230 nan 0.000 0.415 327 F N 2.667 122.510 119.950 -0.179 0.000 2.499 327 F HA 0.439 4.966 4.527 -0.000 0.000 0.333 327 F C -0.562 175.123 175.800 -0.193 0.000 1.138 327 F CA -0.460 57.395 58.000 -0.242 0.000 0.945 327 F CB 1.839 40.622 39.000 -0.362 0.000 1.181 327 F HN 0.078 nan 8.300 nan 0.000 0.435 328 L N 3.948 125.155 121.223 -0.028 0.000 2.294 328 L HA 0.550 4.890 4.340 -0.000 0.000 0.283 328 L C -0.317 176.487 176.870 -0.109 0.000 1.015 328 L CA -0.110 54.749 54.840 0.030 0.000 0.831 328 L CB 1.187 43.393 42.059 0.246 0.000 1.217 328 L HN 0.495 nan 8.230 nan 0.000 0.420 329 T N 4.615 119.092 114.554 -0.127 0.000 2.853 329 T HA 0.533 4.883 4.350 -0.000 0.000 0.317 329 T C -0.404 174.246 174.700 -0.083 0.000 1.059 329 T CA -0.335 61.666 62.100 -0.165 0.000 0.954 329 T CB 0.590 69.350 68.868 -0.180 0.000 0.994 329 T HN 0.254 nan 8.240 nan 0.000 0.479 330 V N 2.723 122.565 119.914 -0.121 0.000 2.444 330 V HA 0.856 4.976 4.120 -0.000 0.000 0.294 330 V C 0.409 176.504 176.094 0.003 0.000 1.022 330 V CA -0.666 61.650 62.300 0.026 0.000 0.850 330 V CB 1.853 33.756 31.823 0.133 0.000 0.992 330 V HN 0.958 nan 8.190 nan 0.000 0.426 331 G N 3.648 112.497 108.800 0.083 0.000 2.701 331 G HA2 0.779 4.739 3.960 -0.000 0.000 0.300 331 G HA3 0.779 4.739 3.960 -0.000 0.000 0.300 331 G C -1.770 173.164 174.900 0.058 0.000 1.410 331 G CA -0.420 44.663 45.100 -0.028 0.000 1.014 331 G HN 0.740 nan 8.290 nan 0.000 0.509 332 D N 0.814 121.238 120.400 0.040 0.000 2.836 332 D HA 0.071 4.711 4.640 -0.000 0.000 0.215 332 D C -0.481 175.832 176.300 0.020 0.000 1.255 332 D CA -0.729 53.319 54.000 0.079 0.000 0.822 332 D CB 1.480 42.413 40.800 0.223 0.000 1.656 332 D HN 0.371 nan 8.370 nan 0.000 0.511 333 N N 0.776 119.485 118.700 0.015 0.000 2.270 333 N HA -0.015 4.725 4.740 -0.000 0.000 0.198 333 N C 0.789 176.314 175.510 0.026 0.000 1.117 333 N CA -0.030 53.022 53.050 0.003 0.000 0.845 333 N CB 0.218 38.695 38.487 -0.017 0.000 0.980 333 N HN 0.305 nan 8.380 nan 0.000 0.486 334 T N 1.037 115.618 114.554 0.045 0.000 2.668 334 T HA -0.026 4.324 4.350 -0.000 0.000 0.262 334 T C 1.747 176.458 174.700 0.018 0.000 1.045 334 T CA 0.962 63.092 62.100 0.048 0.000 1.152 334 T CB 0.090 69.012 68.868 0.089 0.000 0.864 334 T HN 0.131 nan 8.240 nan 0.000 0.419 335 R N 1.248 121.737 120.500 -0.019 0.000 2.083 335 R HA 0.035 4.375 4.340 -0.000 0.000 0.237 335 R C 1.715 177.987 176.300 -0.047 0.000 1.137 335 R CA 0.604 56.669 56.100 -0.059 0.000 0.951 335 R CB -1.468 28.747 30.300 -0.141 0.000 0.851 335 R HN 0.447 nan 8.270 nan 0.000 0.434 336 G N 0.751 109.545 108.800 -0.009 0.000 2.305 336 G HA2 0.148 4.108 3.960 -0.000 0.000 0.243 336 G HA3 0.148 4.108 3.960 -0.000 0.000 0.243 336 G C -0.677 174.262 174.900 0.064 0.000 1.288 336 G CA 0.280 45.413 45.100 0.056 0.000 0.901 336 G HN 0.125 nan 8.290 nan 0.000 0.516 337 T N 2.282 116.854 114.554 0.030 0.000 2.993 337 T HA 0.247 4.597 4.350 -0.000 0.000 0.312 337 T C 0.043 174.799 174.700 0.094 0.000 1.115 337 T CA -0.662 61.474 62.100 0.060 0.000 1.027 337 T CB 1.144 70.024 68.868 0.020 0.000 1.116 337 T HN 0.638 nan 8.240 nan 0.000 0.464 338 N N 1.233 120.036 118.700 0.173 0.000 2.467 338 N HA 0.495 5.235 4.740 -0.000 0.000 0.262 338 N C -1.043 174.571 175.510 0.174 0.000 1.234 338 N CA -0.748 52.437 53.050 0.226 0.000 0.952 338 N CB 0.677 39.325 38.487 0.267 0.000 1.158 338 N HN 0.192 nan 8.380 nan 0.000 0.463 339 L N 1.306 122.652 121.223 0.205 0.000 2.349 339 L HA 0.339 4.679 4.340 -0.000 0.000 0.278 339 L C -0.056 176.943 176.870 0.215 0.000 0.996 339 L CA -0.395 54.540 54.840 0.158 0.000 0.825 339 L CB 1.059 43.176 42.059 0.096 0.000 1.243 339 L HN 0.658 nan 8.230 nan 0.000 0.412 340 T N 3.081 117.717 114.554 0.137 0.000 2.902 340 T HA 0.829 5.179 4.350 -0.000 0.000 0.280 340 T C 0.144 174.910 174.700 0.110 0.000 0.992 340 T CA -0.577 61.579 62.100 0.093 0.000 1.015 340 T CB 1.280 70.165 68.868 0.029 0.000 1.044 340 T HN 0.491 nan 8.240 nan 0.000 0.520 341 I N 0.305 120.948 120.570 0.122 0.000 3.181 341 I HA 0.531 4.701 4.170 -0.000 0.000 0.311 341 I C -0.950 175.225 176.117 0.097 0.000 1.287 341 I CA -1.193 60.184 61.300 0.128 0.000 0.958 341 I CB 2.737 40.857 38.000 0.201 0.000 1.294 341 I HN 0.928 nan 8.210 nan 0.000 0.467 342 S N 1.854 117.598 115.700 0.074 0.000 2.609 342 S HA 0.616 5.086 4.470 -0.000 0.000 0.250 342 S C -1.138 173.486 174.600 0.040 0.000 1.112 342 S CA -0.667 57.572 58.200 0.064 0.000 1.102 342 S CB 0.845 64.109 63.200 0.108 0.000 1.124 342 S HN 0.301 nan 8.310 nan 0.000 0.460 343 V N 2.263 122.161 119.914 -0.027 0.000 2.532 343 V HA 0.856 4.976 4.120 -0.000 0.000 0.295 343 V C 0.956 177.053 176.094 0.005 0.000 1.041 343 V CA -0.655 61.642 62.300 -0.005 0.000 0.926 343 V CB 1.372 33.188 31.823 -0.012 0.000 0.992 343 V HN 1.140 nan 8.190 nan 0.000 0.457 344 A N 2.639 125.477 122.820 0.030 0.000 2.440 344 A HA 0.385 4.705 4.320 -0.000 0.000 0.251 344 A C 1.343 178.932 177.584 0.008 0.000 1.089 344 A CA 0.330 52.389 52.037 0.038 0.000 0.779 344 A CB 0.271 19.293 19.000 0.036 0.000 1.022 344 A HN 1.305 nan 8.150 nan 0.000 0.492 345 S N 0.568 116.265 115.700 -0.005 0.000 2.595 345 S HA -0.044 4.426 4.470 -0.000 0.000 0.235 345 S C 0.200 174.796 174.600 -0.007 0.000 0.974 345 S CA 1.434 59.620 58.200 -0.024 0.000 0.942 345 S CB -0.124 63.048 63.200 -0.047 0.000 0.766 345 S HN 0.689 nan 8.310 nan 0.000 0.536 346 D N -0.272 120.130 120.400 0.004 0.000 2.502 346 D HA 0.329 4.969 4.640 -0.000 0.000 0.232 346 D C 1.387 177.695 176.300 0.014 0.000 1.137 346 D CA 0.778 54.782 54.000 0.008 0.000 0.827 346 D CB 0.719 41.522 40.800 0.006 0.000 1.141 346 D HN 0.442 nan 8.370 nan 0.000 0.517 347 G N 0.120 108.931 108.800 0.018 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 0.456 175.368 174.900 0.020 0.000 0.987 347 G CA 0.362 45.475 45.100 0.022 0.000 0.635 347 G HN 0.270 nan 8.290 nan 0.000 0.520 348 T N 3.570 118.135 114.554 0.018 0.000 2.807 348 T HA 0.607 4.957 4.350 -0.000 0.000 0.279 348 T C -2.200 172.512 174.700 0.020 0.000 0.993 348 T CA -0.737 61.373 62.100 0.017 0.000 0.970 348 T CB 2.589 71.465 68.868 0.014 0.000 0.950 348 T HN 0.221 nan 8.240 nan 0.000 0.441 349 P HA 0.042 nan 4.420 nan 0.000 0.263 349 P C -0.476 176.838 177.300 0.022 0.000 1.175 349 P CA -0.131 62.981 63.100 0.019 0.000 0.761 349 P CB 0.461 32.170 31.700 0.014 0.000 0.794 350 L N 2.844 124.085 121.223 0.030 0.000 2.462 350 L HA 0.048 4.388 4.340 -0.000 0.000 0.272 350 L C 1.805 178.695 176.870 0.035 0.000 1.166 350 L CA -0.048 54.814 54.840 0.036 0.000 0.880 350 L CB -0.367 41.725 42.059 0.055 0.000 1.142 350 L HN 0.392 nan 8.230 nan 0.000 0.473 351 T N 0.856 115.428 114.554 0.030 0.000 3.014 351 T HA -0.033 4.317 4.350 -0.000 0.000 0.263 351 T C 0.617 175.342 174.700 0.040 0.000 1.078 351 T CA 0.914 63.031 62.100 0.028 0.000 1.135 351 T CB 0.070 68.951 68.868 0.021 0.000 0.895 351 T HN 0.608 nan 8.240 nan 0.000 0.480 352 E N -0.519 119.711 120.200 0.050 0.000 2.359 352 E HA 0.404 4.754 4.350 -0.000 0.000 0.266 352 E C -1.802 174.866 176.600 0.113 0.000 0.920 352 E CA -0.996 55.447 56.400 0.073 0.000 0.788 352 E CB 1.294 31.024 29.700 0.050 0.000 1.279 352 E HN 0.165 nan 8.360 nan 0.000 0.438 353 Y N 2.543 122.855 120.300 0.020 0.000 2.477 353 Y HA 0.281 4.831 4.550 -0.000 0.000 0.349 353 Y C -1.087 174.865 175.900 0.086 0.000 0.977 353 Y CA -0.293 57.829 58.100 0.038 0.000 1.214 353 Y CB 0.436 38.900 38.460 0.007 0.000 1.124 353 Y HN 0.374 nan 8.280 nan 0.000 0.521 354 D N 2.430 122.568 120.400 -0.436 0.000 2.299 354 D HA 0.188 4.828 4.640 -0.000 0.000 0.243 354 D C 0.478 176.513 176.300 -0.441 0.000 0.982 354 D CA -0.212 53.577 54.000 -0.352 0.000 0.924 354 D CB 2.186 42.895 40.800 -0.151 0.000 1.238 354 D HN 0.606 nan 8.370 nan 0.000 0.484 355 S N -0.842 114.671 115.700 -0.312 0.000 2.527 355 S HA -0.089 4.381 4.470 -0.000 0.000 0.222 355 S C 1.597 175.959 174.600 -0.396 0.000 0.985 355 S CA 0.272 58.291 58.200 -0.301 0.000 0.921 355 S CB -0.019 63.086 63.200 -0.158 0.000 0.772 355 S HN 0.470 nan 8.310 nan 0.000 0.529 356 S N 1.291 116.824 115.700 -0.278 0.000 2.497 356 S HA 0.220 4.690 4.470 -0.000 0.000 0.221 356 S C 1.659 176.128 174.600 -0.218 0.000 1.037 356 S CA -0.366 57.690 58.200 -0.241 0.000 0.920 356 S CB -0.092 63.021 63.200 -0.145 0.000 0.800 356 S HN 0.141 nan 8.310 nan 0.000 0.505 357 K N 2.001 122.315 120.400 -0.144 0.000 2.057 357 K HA 0.075 4.395 4.320 -0.000 0.000 0.206 357 K C 0.597 177.205 176.600 0.014 0.000 1.050 357 K CA 0.656 56.920 56.287 -0.037 0.000 0.935 357 K CB -0.690 31.828 32.500 0.030 0.000 0.715 357 K HN 0.742 nan 8.250 nan 0.000 0.439 358 F N 1.349 121.230 119.950 -0.116 0.000 2.411 358 F HA 0.369 4.896 4.527 -0.000 0.000 0.355 358 F C -0.470 175.248 175.800 -0.136 0.000 1.117 358 F CA -1.202 56.736 58.000 -0.102 0.000 1.139 358 F CB 0.157 39.125 39.000 -0.053 0.000 1.120 358 F HN -0.189 nan 8.300 nan 0.000 0.493 359 N N 3.314 121.920 118.700 -0.158 0.000 2.419 359 N HA 0.352 5.092 4.740 -0.000 0.000 0.264 359 N C -1.119 174.176 175.510 -0.358 0.000 1.031 359 N CA -0.843 52.008 53.050 -0.333 0.000 0.951 359 N CB 1.968 40.182 38.487 -0.455 0.000 1.101 359 N HN 0.453 nan 8.380 nan 0.000 0.488 360 V N 3.610 123.384 119.914 -0.234 0.000 2.455 360 V HA 0.104 4.224 4.120 -0.000 0.000 0.273 360 V C -0.196 175.891 176.094 -0.013 0.000 1.045 360 V CA 0.049 62.298 62.300 -0.085 0.000 0.976 360 V CB -0.561 31.253 31.823 -0.015 0.000 0.993 360 V HN 0.607 nan 8.190 nan 0.000 0.475 361 Y N 3.242 123.584 120.300 0.071 0.000 2.568 361 Y HA 0.531 5.081 4.550 -0.000 0.000 0.327 361 Y C 0.262 176.272 175.900 0.183 0.000 1.163 361 Y CA -1.061 57.106 58.100 0.111 0.000 1.219 361 Y CB 2.033 40.553 38.460 0.100 0.000 1.308 361 Y HN 0.555 nan 8.280 nan 0.000 0.503 362 H N 2.047 121.308 119.070 0.317 0.000 3.177 362 H HA 0.371 4.927 4.556 -0.000 0.000 0.314 362 H C -1.225 174.224 175.328 0.201 0.000 1.059 362 H CA -0.997 55.207 56.048 0.259 0.000 1.515 362 H CB 0.497 30.458 29.762 0.333 0.000 1.672 362 H HN 0.459 nan 8.280 nan 0.000 0.514 363 R N 2.603 123.285 120.500 0.302 0.000 2.686 363 R HA 0.276 4.616 4.340 -0.000 0.000 0.283 363 R C -1.249 175.156 176.300 0.175 0.000 0.978 363 R CA -0.825 55.377 56.100 0.170 0.000 0.897 363 R CB 1.828 32.203 30.300 0.125 0.000 1.192 363 R HN 0.741 nan 8.270 nan 0.000 0.457 364 H N 1.298 120.364 119.070 -0.006 0.000 2.895 364 H HA 0.706 5.262 4.556 -0.000 0.000 0.373 364 H C -1.212 174.105 175.328 -0.018 0.000 1.174 364 H CA -0.711 55.321 56.048 -0.026 0.000 1.144 364 H CB 1.706 31.410 29.762 -0.097 0.000 1.793 364 H HN 0.445 nan 8.280 nan 0.000 0.551 365 M N 3.204 122.601 119.600 -0.338 0.000 2.324 365 M HA 0.355 4.835 4.480 -0.000 0.000 0.288 365 M C -1.469 174.708 176.300 -0.204 0.000 1.097 365 M CA -0.785 54.442 55.300 -0.121 0.000 0.928 365 M CB 2.660 35.219 32.600 -0.068 0.000 1.648 365 M HN 0.461 nan 8.290 nan 0.000 0.460 366 E N 2.214 122.410 120.200 -0.006 0.000 2.199 366 E HA 0.474 4.824 4.350 -0.000 0.000 0.269 366 E C -1.430 175.138 176.600 -0.054 0.000 0.899 366 E CA -0.507 55.865 56.400 -0.046 0.000 0.772 366 E CB 2.944 32.727 29.700 0.138 0.000 1.155 366 E HN 0.709 nan 8.360 nan 0.000 0.408 367 E N 2.693 122.715 120.200 -0.296 0.000 2.234 367 E HA 0.424 4.774 4.350 -0.000 0.000 0.266 367 E C -1.369 174.918 176.600 -0.522 0.000 0.877 367 E CA -0.429 55.831 56.400 -0.233 0.000 0.758 367 E CB 1.026 30.652 29.700 -0.123 0.000 1.170 367 E HN 0.340 nan 8.360 nan 0.000 0.415 368 Y N 1.956 122.234 120.300 -0.036 0.000 2.659 368 Y HA 0.576 5.126 4.550 -0.000 0.000 0.333 368 Y C -0.126 175.682 175.900 -0.153 0.000 1.064 368 Y CA -0.973 57.065 58.100 -0.103 0.000 1.141 368 Y CB 1.921 40.322 38.460 -0.099 0.000 1.316 368 Y HN 0.432 nan 8.280 nan 0.000 0.509 369 K N 0.851 121.259 120.400 0.014 0.000 2.546 369 K HA 0.687 5.007 4.320 -0.000 0.000 0.264 369 K C -2.381 174.156 176.600 -0.106 0.000 0.937 369 K CA -0.538 55.709 56.287 -0.067 0.000 0.833 369 K CB 1.801 34.284 32.500 -0.028 0.000 1.378 369 K HN 0.697 nan 8.250 nan 0.000 0.432 370 L N 2.157 123.294 121.223 -0.143 0.000 2.410 370 L HA 0.789 5.129 4.340 -0.000 0.000 0.270 370 L C -1.011 175.754 176.870 -0.174 0.000 0.983 370 L CA -0.984 53.756 54.840 -0.168 0.000 0.822 370 L CB 2.140 44.151 42.059 -0.079 0.000 1.285 370 L HN 0.797 nan 8.230 nan 0.000 0.409 371 A N 3.011 125.571 122.820 -0.433 0.000 2.381 371 A HA 0.886 5.206 4.320 -0.000 0.000 0.299 371 A C -1.474 175.678 177.584 -0.719 0.000 1.049 371 A CA -0.293 51.512 52.037 -0.388 0.000 0.715 371 A CB 0.987 19.884 19.000 -0.172 0.000 1.222 371 A HN 0.461 nan 8.150 nan 0.000 0.428 372 F N 1.842 121.600 119.950 -0.319 0.000 2.563 372 F HA 0.605 5.132 4.527 -0.000 0.000 0.316 372 F C 0.098 175.736 175.800 -0.270 0.000 1.076 372 F CA -1.041 56.822 58.000 -0.229 0.000 0.921 372 F CB 1.952 40.828 39.000 -0.207 0.000 1.209 372 F HN 0.277 nan 8.300 nan 0.000 0.462 373 I N 4.703 125.322 120.570 0.081 0.000 2.557 373 I HA 0.276 4.446 4.170 -0.000 0.000 0.277 373 I C -0.522 175.632 176.117 0.062 0.000 1.106 373 I CA -0.233 61.112 61.300 0.076 0.000 1.180 373 I CB 0.152 38.307 38.000 0.259 0.000 1.392 373 I HN 0.419 nan 8.210 nan 0.000 0.506 374 L N 5.103 126.281 121.223 -0.074 0.000 2.421 374 L HA 0.515 4.855 4.340 -0.000 0.000 0.263 374 L C 0.555 177.356 176.870 -0.115 0.000 1.122 374 L CA -0.549 54.193 54.840 -0.162 0.000 0.804 374 L CB 0.782 42.512 42.059 -0.549 0.000 1.150 374 L HN 0.523 nan 8.230 nan 0.000 0.457 375 E N 0.959 121.123 120.200 -0.061 0.000 2.369 375 E HA 0.566 4.916 4.350 -0.000 0.000 0.270 375 E C -1.468 175.239 176.600 0.178 0.000 0.909 375 E CA -1.045 55.268 56.400 -0.146 0.000 0.775 375 E CB 2.170 31.537 29.700 -0.554 0.000 1.270 375 E HN 0.250 nan 8.360 nan 0.000 0.445 376 L N 1.680 122.984 121.223 0.134 0.000 2.371 376 L HA 0.460 4.800 4.340 -0.000 0.000 0.272 376 L C -0.978 175.849 176.870 -0.071 0.000 1.124 376 L CA -0.120 54.744 54.840 0.039 0.000 0.816 376 L CB 0.794 42.871 42.059 0.031 0.000 1.129 376 L HN 0.883 nan 8.230 nan 0.000 0.448 377 C N 1.295 120.517 119.300 -0.130 0.000 2.716 377 C HA 0.669 5.129 4.460 -0.000 0.000 0.366 377 C C -0.199 174.709 174.990 -0.136 0.000 1.073 377 C CA -1.017 57.934 59.018 -0.111 0.000 1.260 377 C CB 0.260 27.939 27.740 -0.102 0.000 1.755 377 C HN 0.858 nan 8.230 nan 0.000 0.475 378 S N 1.937 117.562 115.700 -0.125 0.000 2.452 378 S HA 0.631 5.101 4.470 -0.000 0.000 0.284 378 S C -0.017 174.523 174.600 -0.100 0.000 1.171 378 S CA -0.420 57.668 58.200 -0.188 0.000 1.064 378 S CB 0.912 63.992 63.200 -0.200 0.000 0.967 378 S HN 2.107 nan 8.310 nan 0.000 0.484 379 V N 1.037 120.900 119.914 -0.085 0.000 2.509 379 V HA 0.525 4.645 4.120 -0.000 0.000 0.284 379 V C 0.059 176.102 176.094 -0.086 0.000 1.047 379 V CA -0.744 61.575 62.300 0.033 0.000 0.952 379 V CB 0.519 32.447 31.823 0.176 0.000 0.988 379 V HN 0.911 nan 8.190 nan 0.000 0.469 380 E N 4.067 124.254 120.200 -0.022 0.000 2.392 380 E HA 0.365 4.715 4.350 -0.000 0.000 0.259 380 E C -0.615 175.925 176.600 -0.101 0.000 1.108 380 E CA -0.479 55.886 56.400 -0.058 0.000 0.916 380 E CB 1.086 30.783 29.700 -0.005 0.000 0.989 380 E HN 0.615 nan 8.360 nan 0.000 0.432 381 I N 2.711 123.211 120.570 -0.118 0.000 2.833 381 I HA 0.138 4.308 4.170 -0.000 0.000 0.286 381 I C -0.364 175.703 176.117 -0.084 0.000 1.287 381 I CA -0.130 61.085 61.300 -0.141 0.000 1.046 381 I CB 0.182 38.059 38.000 -0.205 0.000 1.612 381 I HN 0.323 nan 8.210 nan 0.000 0.585 382 T N 1.998 116.519 114.554 -0.055 0.000 2.928 382 T HA 0.462 4.812 4.350 -0.000 0.000 0.284 382 T C 1.604 176.287 174.700 -0.028 0.000 1.008 382 T CA -0.031 62.050 62.100 -0.031 0.000 1.057 382 T CB 2.316 71.178 68.868 -0.011 0.000 1.018 382 T HN 0.527 nan 8.240 nan 0.000 0.493 383 A N 1.789 124.597 122.820 -0.020 0.000 1.915 383 A HA -0.276 4.044 4.320 -0.000 0.000 0.220 383 A C 2.241 179.822 177.584 -0.006 0.000 1.198 383 A CA 2.502 54.531 52.037 -0.014 0.000 0.647 383 A CB -0.988 18.007 19.000 -0.008 0.000 0.825 383 A HN 0.942 nan 8.150 nan 0.000 0.456 384 Q N -0.584 119.218 119.800 0.004 0.000 2.020 384 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 384 Q C 2.155 178.175 176.000 0.033 0.000 0.982 384 Q CA 2.988 58.803 55.803 0.021 0.000 0.838 384 Q CB -0.509 28.243 28.738 0.024 0.000 0.899 384 Q HN 0.762 nan 8.270 nan 0.000 0.423 385 T N -1.813 112.747 114.554 0.011 0.000 2.777 385 T HA -0.079 4.271 4.350 -0.000 0.000 0.266 385 T C 1.931 176.600 174.700 -0.051 0.000 1.040 385 T CA 1.253 63.343 62.100 -0.017 0.000 1.141 385 T CB -0.757 68.092 68.868 -0.033 0.000 0.868 385 T HN 0.145 nan 8.240 nan 0.000 0.444 386 V N 2.187 122.068 119.914 -0.055 0.000 2.231 386 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 386 V C 3.102 179.171 176.094 -0.041 0.000 1.054 386 V CA 2.283 64.546 62.300 -0.062 0.000 1.015 386 V CB -1.442 30.350 31.823 -0.052 0.000 0.638 386 V HN 0.734 nan 8.190 nan 0.000 0.444 387 S N -0.226 115.464 115.700 -0.017 0.000 2.377 387 S HA -0.428 4.042 4.470 -0.000 0.000 0.224 387 S C 2.066 176.651 174.600 -0.025 0.000 1.042 387 S CA 2.634 60.826 58.200 -0.013 0.000 1.086 387 S CB -0.768 62.438 63.200 0.010 0.000 0.995 387 S HN 0.818 nan 8.310 nan 0.000 0.428 388 H N 1.160 120.192 119.070 -0.065 0.000 2.375 388 H HA -0.165 4.391 4.556 -0.000 0.000 0.289 388 H C 1.828 177.100 175.328 -0.092 0.000 1.121 388 H CA 2.464 58.476 56.048 -0.060 0.000 1.207 388 H CB -0.774 28.955 29.762 -0.055 0.000 1.355 388 H HN 0.473 nan 8.280 nan 0.000 0.486 389 L N 0.164 121.221 121.223 -0.275 0.000 2.353 389 L HA -0.178 4.162 4.340 -0.000 0.000 0.220 389 L C 2.562 179.264 176.870 -0.280 0.000 1.133 389 L CA 0.751 55.389 54.840 -0.337 0.000 0.798 389 L CB -0.390 41.501 42.059 -0.279 0.000 0.922 389 L HN 0.380 nan 8.230 nan 0.000 0.445 390 Q N -0.008 119.669 119.800 -0.205 0.000 2.077 390 Q HA -0.183 4.157 4.340 -0.000 0.000 0.206 390 Q C 2.274 178.178 176.000 -0.160 0.000 0.989 390 Q CA 1.966 57.679 55.803 -0.150 0.000 0.853 390 Q CB -0.591 28.086 28.738 -0.102 0.000 0.907 390 Q HN 0.579 nan 8.270 nan 0.000 0.418 391 G N -0.043 108.638 108.800 -0.198 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 1.444 176.241 174.900 -0.172 0.000 1.140 391 G CA 0.200 45.203 45.100 -0.162 0.000 0.800 391 G HN 0.266 nan 8.290 nan 0.000 0.533 392 L N 0.674 121.738 121.223 -0.264 0.000 2.027 392 L HA 0.388 4.728 4.340 -0.000 0.000 0.206 392 L C 1.067 177.851 176.870 -0.143 0.000 1.074 392 L CA 1.476 56.209 54.840 -0.179 0.000 0.745 392 L CB -0.141 41.796 42.059 -0.203 0.000 0.898 392 L HN 0.365 nan 8.230 nan 0.000 0.433 393 M N -3.638 115.840 119.600 -0.204 0.000 2.365 393 M HA 0.383 4.863 4.480 -0.000 0.000 0.288 393 M C -2.423 173.767 176.300 -0.184 0.000 1.152 393 M CA -1.338 53.853 55.300 -0.181 0.000 0.948 393 M CB 1.478 33.943 32.600 -0.225 0.000 1.729 393 M HN -0.360 nan 8.290 nan 0.000 0.487 394 P HA -0.076 nan 4.420 nan 0.000 0.217 394 P C 1.092 178.306 177.300 -0.143 0.000 1.151 394 P CA 1.930 64.956 63.100 -0.124 0.000 0.828 394 P CB 0.100 31.744 31.700 -0.095 0.000 0.788 395 S N -0.099 115.507 115.700 -0.156 0.000 2.377 395 S HA -0.052 4.418 4.470 -0.000 0.000 0.223 395 S C 2.179 176.634 174.600 -0.242 0.000 1.030 395 S CA 0.720 58.821 58.200 -0.166 0.000 0.970 395 S CB -1.750 61.369 63.200 -0.134 0.000 0.830 395 S HN 0.008 nan 8.310 nan 0.000 0.473 396 V N 2.131 121.850 119.914 -0.325 0.000 2.867 396 V HA -0.001 4.119 4.120 -0.000 0.000 0.260 396 V C 1.962 177.612 176.094 -0.739 0.000 1.099 396 V CA 1.197 63.174 62.300 -0.538 0.000 1.122 396 V CB -0.776 30.679 31.823 -0.613 0.000 0.708 396 V HN 0.543 nan 8.190 nan 0.000 0.490 397 L N -0.174 120.808 121.223 -0.402 0.000 2.093 397 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 397 L C 2.535 179.335 176.870 -0.116 0.000 1.085 397 L CA 2.105 56.842 54.840 -0.172 0.000 0.755 397 L CB -0.657 41.370 42.059 -0.053 0.000 0.904 397 L HN 0.433 nan 8.230 nan 0.000 0.435 398 E N 0.652 120.755 120.200 -0.161 0.000 2.110 398 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 398 E C 1.829 178.369 176.600 -0.099 0.000 0.988 398 E CA 1.367 57.709 56.400 -0.097 0.000 0.804 398 E CB 0.129 29.767 29.700 -0.102 0.000 0.745 398 E HN 0.456 nan 8.360 nan 0.000 0.458 399 N N 0.238 118.791 118.700 -0.244 0.000 2.166 399 N HA -0.175 4.565 4.740 -0.000 0.000 0.186 399 N C 1.320 176.825 175.510 -0.009 0.000 1.019 399 N CA 1.272 54.184 53.050 -0.231 0.000 0.856 399 N CB -0.599 37.595 38.487 -0.488 0.000 0.993 399 N HN 0.412 nan 8.380 nan 0.000 0.426 400 W N 1.348 122.629 121.300 -0.031 0.000 2.363 400 W HA -0.098 4.562 4.660 0.000 0.000 0.296 400 W C 0.363 176.868 176.519 -0.024 0.000 1.212 400 W CA 0.024 57.350 57.345 -0.033 0.000 1.260 400 W CB 0.051 29.477 29.460 -0.057 0.000 1.131 400 W HN -0.014 nan 8.180 nan 0.000 0.530 401 E N -0.723 119.601 120.200 0.208 0.000 2.476 401 E HA -0.243 4.107 4.350 -0.000 0.000 0.251 401 E C 0.161 176.823 176.600 0.104 0.000 1.130 401 E CA 1.260 57.728 56.400 0.114 0.000 0.736 401 E CB -2.096 27.661 29.700 0.096 0.000 1.298 401 E HN 0.514 nan 8.360 nan 0.000 0.400 402 I N -1.212 119.436 120.570 0.130 0.000 4.338 402 I HA 0.119 4.289 4.170 -0.000 0.000 0.329 402 I C 1.365 177.521 176.117 0.065 0.000 1.378 402 I CA 0.083 61.432 61.300 0.082 0.000 1.170 402 I CB 0.817 38.855 38.000 0.064 0.000 1.206 402 I HN 0.109 nan 8.210 nan 0.000 0.432 403 G N 1.794 110.633 108.800 0.065 0.000 2.432 403 G HA2 0.306 4.266 3.960 -0.000 0.000 0.239 403 G HA3 0.306 4.266 3.960 -0.000 0.000 0.239 403 G C -0.275 174.632 174.900 0.012 0.000 1.291 403 G CA 0.105 45.224 45.100 0.031 0.000 0.863 403 G HN -0.008 nan 8.290 nan 0.000 0.560 404 V N 3.402 123.317 119.914 0.001 0.000 2.275 404 V HA 0.391 4.511 4.120 -0.000 0.000 0.272 404 V C 0.095 176.183 176.094 -0.009 0.000 1.028 404 V CA -0.231 62.066 62.300 -0.004 0.000 0.810 404 V CB 0.298 32.117 31.823 -0.007 0.000 1.043 404 V HN 0.853 nan 8.190 nan 0.000 0.453 405 Q N 4.131 123.926 119.800 -0.008 0.000 2.456 405 Q HA 0.523 4.863 4.340 -0.000 0.000 0.284 405 Q C -2.592 173.403 176.000 -0.009 0.000 1.061 405 Q CA -1.699 54.098 55.803 -0.011 0.000 0.799 405 Q CB 2.901 31.631 28.738 -0.013 0.000 1.445 405 Q HN 0.526 nan 8.270 nan 0.000 0.411 406 P HA 0.108 nan 4.420 nan 0.000 0.268 406 P C -2.465 174.830 177.300 -0.008 0.000 1.204 406 P CA -0.688 62.407 63.100 -0.008 0.000 0.768 406 P CB -0.025 31.669 31.700 -0.009 0.000 0.842 407 P HA 0.072 nan 4.420 nan 0.000 0.274 407 P C 0.804 178.100 177.300 -0.007 0.000 1.237 407 P CA -0.202 62.894 63.100 -0.006 0.000 0.793 407 P CB 0.528 32.225 31.700 -0.005 0.000 0.977 408 T N 0.337 114.887 114.554 -0.007 0.000 2.803 408 T HA -0.160 4.190 4.350 -0.000 0.000 0.269 408 T C 1.867 176.562 174.700 -0.007 0.000 1.052 408 T CA 2.107 64.203 62.100 -0.007 0.000 1.136 408 T CB -0.792 68.072 68.868 -0.006 0.000 0.864 408 T HN 0.687 nan 8.240 nan 0.000 0.467 409 S N 2.186 117.882 115.700 -0.007 0.000 2.440 409 S HA -0.138 4.332 4.470 -0.000 0.000 0.240 409 S C 1.851 176.445 174.600 -0.009 0.000 1.014 409 S CA 1.253 59.448 58.200 -0.008 0.000 0.980 409 S CB -0.707 62.488 63.200 -0.008 0.000 0.775 409 S HN 0.619 nan 8.310 nan 0.000 0.499 410 S N 0.689 116.384 115.700 -0.009 0.000 2.679 410 S HA 0.453 4.923 4.470 -0.000 0.000 0.233 410 S C 0.128 174.722 174.600 -0.009 0.000 0.951 410 S CA -0.779 57.416 58.200 -0.009 0.000 0.973 410 S CB -0.814 62.380 63.200 -0.008 0.000 0.778 410 S HN 0.555 nan 8.310 nan 0.000 0.477 411 I N 1.309 121.873 120.570 -0.010 0.000 2.433 411 I HA 0.382 4.552 4.170 -0.000 0.000 0.292 411 I C -0.514 175.596 176.117 -0.011 0.000 1.001 411 I CA -0.947 60.347 61.300 -0.009 0.000 1.119 411 I CB 1.991 39.986 38.000 -0.008 0.000 1.289 411 I HN 0.064 nan 8.210 nan 0.000 0.438 412 L N 6.382 127.597 121.223 -0.012 0.000 2.278 412 L HA 0.333 4.673 4.340 -0.000 0.000 0.287 412 L C 0.001 176.862 176.870 -0.015 0.000 1.072 412 L CA -0.048 54.782 54.840 -0.017 0.000 0.819 412 L CB 0.443 42.490 42.059 -0.020 0.000 1.176 412 L HN 0.607 nan 8.230 nan 0.000 0.435 413 E N 2.316 122.506 120.200 -0.017 0.000 2.191 413 E HA 0.270 4.620 4.350 -0.000 0.000 0.274 413 E C -1.277 175.306 176.600 -0.028 0.000 0.948 413 E CA -0.945 55.449 56.400 -0.010 0.000 0.802 413 E CB 1.775 31.474 29.700 -0.001 0.000 1.137 413 E HN 0.413 nan 8.360 nan 0.000 0.397 414 D N 2.003 122.391 120.400 -0.020 0.000 2.225 414 D HA 0.253 4.893 4.640 -0.000 0.000 0.248 414 D C -0.299 175.965 176.300 -0.061 0.000 1.096 414 D CA -0.121 53.822 54.000 -0.096 0.000 0.863 414 D CB 1.509 42.247 40.800 -0.102 0.000 1.156 414 D HN 0.205 nan 8.370 nan 0.000 0.450 415 T N 0.737 115.179 114.554 -0.187 0.000 2.905 415 T HA 0.620 4.970 4.350 -0.000 0.000 0.283 415 T C -0.813 173.750 174.700 -0.228 0.000 1.031 415 T CA -0.655 61.416 62.100 -0.047 0.000 1.002 415 T CB 0.827 69.666 68.868 -0.050 0.000 1.200 415 T HN 0.219 nan 8.240 nan 0.000 0.560 416 Y N -0.194 120.084 120.300 -0.037 0.000 2.399 416 Y HA 0.403 4.953 4.550 -0.000 0.000 0.327 416 Y C 1.241 177.084 175.900 -0.096 0.000 1.111 416 Y CA -1.146 56.934 58.100 -0.033 0.000 1.047 416 Y CB 1.498 39.957 38.460 -0.002 0.000 1.259 416 Y HN 0.401 nan 8.280 nan 0.000 0.434 417 R N 1.285 121.793 120.500 0.013 0.000 2.133 417 R HA -0.178 4.162 4.340 -0.000 0.000 0.245 417 R C -0.628 175.316 176.300 -0.594 0.000 1.137 417 R CA 1.827 57.785 56.100 -0.238 0.000 0.947 417 R CB -0.173 30.080 30.300 -0.079 0.000 0.865 417 R HN 0.624 nan 8.270 nan 0.000 0.437 418 Y N -2.069 118.296 120.300 0.108 0.000 2.602 418 Y HA 0.253 4.803 4.550 -0.000 0.000 0.342 418 Y C 1.009 176.943 175.900 0.057 0.000 1.029 418 Y CA -0.902 57.238 58.100 0.067 0.000 1.080 418 Y CB 1.325 39.808 38.460 0.039 0.000 1.284 418 Y HN -0.099 nan 8.280 nan 0.000 0.485 419 I N -3.216 117.433 120.570 0.131 0.000 4.916 419 I HA 0.327 4.497 4.170 -0.000 0.000 0.335 419 I C 0.905 177.011 176.117 -0.017 0.000 1.274 419 I CA 0.273 61.558 61.300 -0.026 0.000 1.365 419 I CB 0.535 38.482 38.000 -0.089 0.000 1.395 419 I HN 0.372 nan 8.210 nan 0.000 0.485 420 E N 2.014 122.241 120.200 0.045 0.000 2.160 420 E HA -0.069 4.281 4.350 -0.000 0.000 0.195 420 E C 1.236 177.840 176.600 0.005 0.000 0.991 420 E CA 0.909 57.323 56.400 0.024 0.000 0.810 420 E CB -0.408 29.321 29.700 0.048 0.000 0.742 420 E HN 0.511 nan 8.360 nan 0.000 0.466 421 S N 0.968 116.679 115.700 0.019 0.000 2.571 421 S HA -0.060 4.410 4.470 -0.000 0.000 0.298 421 S C -1.524 173.064 174.600 -0.020 0.000 1.280 421 S CA -0.691 57.507 58.200 -0.003 0.000 1.052 421 S CB 0.595 63.801 63.200 0.011 0.000 0.799 421 S HN 0.011 nan 8.310 nan 0.000 0.501 422 P HA 0.082 nan 4.420 nan 0.000 0.237 422 P C 0.378 177.665 177.300 -0.022 0.000 1.178 422 P CA 0.639 63.726 63.100 -0.022 0.000 0.766 422 P CB -0.027 31.663 31.700 -0.018 0.000 0.876 423 A N -0.916 121.894 122.820 -0.017 0.000 2.345 423 A HA 0.288 4.608 4.320 -0.000 0.000 0.225 423 A C 0.685 178.258 177.584 -0.019 0.000 1.243 423 A CA 0.397 52.429 52.037 -0.009 0.000 0.875 423 A CB -0.246 18.757 19.000 0.005 0.000 0.929 423 A HN 0.120 nan 8.150 nan 0.000 0.502 424 T N -0.228 114.292 114.554 -0.057 0.000 2.916 424 T HA 0.351 4.701 4.350 -0.000 0.000 0.292 424 T C -0.335 174.237 174.700 -0.214 0.000 1.055 424 T CA -0.709 61.301 62.100 -0.150 0.000 1.009 424 T CB 1.789 70.550 68.868 -0.178 0.000 1.118 424 T HN 0.335 nan 8.240 nan 0.000 0.497 425 K N 0.708 120.895 120.400 -0.355 0.000 2.448 425 K HA 0.112 4.432 4.320 -0.000 0.000 0.278 425 K C 0.899 177.357 176.600 -0.237 0.000 1.009 425 K CA -0.282 55.843 56.287 -0.271 0.000 0.995 425 K CB 0.117 32.454 32.500 -0.271 0.000 0.917 425 K HN 0.859 nan 8.250 nan 0.000 0.481 426 C N 1.805 121.026 119.300 -0.132 0.000 3.065 426 C HA 0.524 4.984 4.460 -0.000 0.000 0.285 426 C C 0.652 175.604 174.990 -0.064 0.000 1.257 426 C CA -0.598 58.366 59.018 -0.091 0.000 1.691 426 C CB -0.915 26.788 27.740 -0.062 0.000 2.089 426 C HN 0.607 nan 8.230 nan 0.000 0.630 427 A N 1.450 124.236 122.820 -0.057 0.000 2.319 427 A HA 0.667 4.987 4.320 -0.000 0.000 0.310 427 A C 0.554 178.126 177.584 -0.021 0.000 1.152 427 A CA 0.354 52.371 52.037 -0.033 0.000 0.783 427 A CB 0.880 19.864 19.000 -0.025 0.000 1.184 427 A HN 0.721 nan 8.150 nan 0.000 0.474 428 S N 1.687 117.381 115.700 -0.010 0.000 2.629 428 S HA 0.108 4.578 4.470 -0.000 0.000 0.236 428 S C 0.378 174.980 174.600 0.003 0.000 1.010 428 S CA -0.337 57.866 58.200 0.006 0.000 0.981 428 S CB -0.331 62.880 63.200 0.018 0.000 0.919 428 S HN 0.675 nan 8.310 nan 0.000 0.514 429 N N 1.955 120.653 118.700 -0.004 0.000 2.454 429 N HA 0.223 4.963 4.740 -0.000 0.000 0.254 429 N C -0.899 174.608 175.510 -0.005 0.000 1.228 429 N CA 0.226 53.273 53.050 -0.005 0.000 0.900 429 N CB 0.922 39.404 38.487 -0.008 0.000 1.089 429 N HN 0.143 nan 8.380 nan 0.000 0.449 430 V N 4.435 124.345 119.914 -0.006 0.000 2.656 430 V HA 0.384 4.504 4.120 -0.000 0.000 0.307 430 V C 0.332 176.419 176.094 -0.011 0.000 1.051 430 V CA -0.828 61.467 62.300 -0.008 0.000 0.893 430 V CB 1.673 33.492 31.823 -0.007 0.000 0.999 430 V HN 0.527 nan 8.190 nan 0.000 0.426 431 I N 6.987 127.548 120.570 -0.014 0.000 2.329 431 I HA 0.180 4.350 4.170 -0.000 0.000 0.295 431 I C -0.670 175.435 176.117 -0.019 0.000 1.109 431 I CA -1.107 60.182 61.300 -0.017 0.000 1.297 431 I CB 1.113 39.101 38.000 -0.021 0.000 1.433 431 I HN 0.602 nan 8.210 nan 0.000 0.509 432 P HA -0.081 nan 4.420 nan 0.000 0.217 432 P C 0.622 177.909 177.300 -0.022 0.000 1.151 432 P CA 0.537 63.627 63.100 -0.018 0.000 0.828 432 P CB 0.188 31.879 31.700 -0.014 0.000 0.788 433 A N 1.314 124.120 122.820 -0.024 0.000 2.511 433 A HA 0.217 4.537 4.320 -0.000 0.000 0.242 433 A C 0.377 177.940 177.584 -0.035 0.000 1.069 433 A CA 0.324 52.345 52.037 -0.028 0.000 0.763 433 A CB -0.066 18.917 19.000 -0.028 0.000 1.001 433 A HN -0.009 nan 8.150 nan 0.000 0.498 434 K N 2.189 122.565 120.400 -0.039 0.000 2.292 434 K HA 0.260 4.580 4.320 -0.000 0.000 0.257 434 K C -0.097 176.467 176.600 -0.059 0.000 0.940 434 K CA -0.501 55.756 56.287 -0.050 0.000 0.811 434 K CB 1.732 34.203 32.500 -0.049 0.000 1.120 434 K HN 0.907 nan 8.250 nan 0.000 0.428 435 E N 2.742 122.897 120.200 -0.076 0.000 2.452 435 E HA -0.060 4.290 4.350 -0.000 0.000 0.261 435 E C -0.523 176.022 176.600 -0.092 0.000 0.987 435 E CA -0.077 56.267 56.400 -0.093 0.000 0.926 435 E CB 0.629 30.254 29.700 -0.124 0.000 0.934 435 E HN 0.321 nan 8.360 nan 0.000 0.452 436 D N 5.945 126.300 120.400 -0.075 0.000 2.443 436 D HA -0.075 4.565 4.640 -0.000 0.000 0.234 436 D C -1.277 174.966 176.300 -0.096 0.000 1.172 436 D CA -0.805 53.168 54.000 -0.044 0.000 0.878 436 D CB 0.213 41.012 40.800 -0.001 0.000 1.204 436 D HN 0.399 nan 8.370 nan 0.000 0.453 437 P HA -0.212 nan 4.420 nan 0.000 0.218 437 P C 0.192 177.191 177.300 -0.502 0.000 1.154 437 P CA 1.673 64.560 63.100 -0.355 0.000 0.872 437 P CB -0.023 31.425 31.700 -0.419 0.000 0.790 438 Y N -1.490 118.848 120.300 0.064 0.000 2.685 438 Y HA 0.570 5.120 4.550 -0.000 0.000 0.339 438 Y C 1.931 177.741 175.900 -0.150 0.000 0.961 438 Y CA -0.379 57.763 58.100 0.070 0.000 1.330 438 Y CB -0.272 38.425 38.460 0.396 0.000 1.269 438 Y HN -0.058 nan 8.280 nan 0.000 0.566 439 A N 0.059 122.799 122.820 -0.134 0.000 2.014 439 A HA 0.020 4.340 4.320 -0.000 0.000 0.218 439 A C 2.379 179.801 177.584 -0.269 0.000 1.163 439 A CA 1.518 53.452 52.037 -0.172 0.000 0.652 439 A CB -0.745 18.174 19.000 -0.136 0.000 0.808 439 A HN 0.659 nan 8.150 nan 0.000 0.449 440 G N -0.196 108.315 108.800 -0.482 0.000 2.402 440 G HA2 0.078 4.038 3.960 -0.000 0.000 0.216 440 G HA3 0.078 4.038 3.960 -0.000 0.000 0.216 440 G C 0.580 175.231 174.900 -0.416 0.000 1.162 440 G CA 0.436 45.218 45.100 -0.530 0.000 0.777 440 G HN 0.443 nan 8.290 nan 0.000 0.539 441 F N 0.529 120.478 119.950 -0.001 0.000 2.380 441 F HA 0.604 5.131 4.527 -0.000 0.000 0.321 441 F C 0.541 176.209 175.800 -0.220 0.000 1.103 441 F CA -1.103 56.887 58.000 -0.017 0.000 1.067 441 F CB 1.202 40.271 39.000 0.114 0.000 1.265 441 F HN -0.074 nan 8.300 nan 0.000 0.517 442 K N 1.382 121.743 120.400 -0.065 0.000 2.508 442 K HA 0.658 4.978 4.320 -0.000 0.000 0.260 442 K C -1.883 174.563 176.600 -0.256 0.000 0.949 442 K CA -0.655 55.414 56.287 -0.363 0.000 0.834 442 K CB 2.104 34.508 32.500 -0.159 0.000 1.365 442 K HN 0.717 nan 8.250 nan 0.000 0.437 443 F N -1.793 118.216 119.950 0.098 0.000 2.779 443 F HA 0.507 5.034 4.527 -0.000 0.000 0.316 443 F C -0.698 175.198 175.800 0.160 0.000 1.164 443 F CA -1.466 56.593 58.000 0.098 0.000 0.924 443 F CB 0.278 39.324 39.000 0.076 0.000 1.348 443 F HN 0.446 nan 8.300 nan 0.000 0.467 444 W N 3.031 124.491 121.300 0.267 0.000 2.343 444 W HA 0.147 4.807 4.660 0.000 0.000 0.337 444 W C -0.854 175.805 176.519 0.232 0.000 1.320 444 W CA 0.043 57.521 57.345 0.221 0.000 1.290 444 W CB 0.453 30.098 29.460 0.308 0.000 1.206 444 W HN 0.725 nan 8.180 nan 0.000 0.565 445 N N 5.982 125.066 118.700 0.640 0.000 2.476 445 N HA 0.339 5.079 4.740 -0.000 0.000 0.257 445 N C -0.939 174.769 175.510 0.329 0.000 0.970 445 N CA -0.472 52.797 53.050 0.366 0.000 0.938 445 N CB 0.580 39.183 38.487 0.194 0.000 1.144 445 N HN 0.214 nan 8.380 nan 0.000 0.500 446 I N 1.988 122.646 120.570 0.147 0.000 2.328 446 I HA 0.161 4.331 4.170 -0.000 0.000 0.287 446 I C -0.296 175.810 176.117 -0.018 0.000 1.012 446 I CA -0.690 60.614 61.300 0.007 0.000 1.195 446 I CB 1.174 39.048 38.000 -0.210 0.000 1.350 446 I HN 0.422 nan 8.210 nan 0.000 0.464 447 D N 7.204 127.611 120.400 0.012 0.000 2.225 447 D HA 0.269 4.909 4.640 -0.000 0.000 0.248 447 D C 0.136 176.423 176.300 -0.021 0.000 1.096 447 D CA -0.068 53.934 54.000 0.002 0.000 0.863 447 D CB 1.759 42.578 40.800 0.030 0.000 1.156 447 D HN 0.496 nan 8.370 nan 0.000 0.450 448 L N 3.704 124.901 121.223 -0.043 0.000 2.959 448 L HA 0.161 4.501 4.340 -0.000 0.000 0.259 448 L C 2.002 178.864 176.870 -0.014 0.000 1.185 448 L CA -0.200 54.607 54.840 -0.055 0.000 0.998 448 L CB 0.389 42.364 42.059 -0.141 0.000 1.337 448 L HN 0.250 nan 8.230 nan 0.000 0.555 449 K N 0.591 121.005 120.400 0.023 0.000 2.281 449 K HA -0.172 4.148 4.320 -0.000 0.000 0.203 449 K C 1.128 177.777 176.600 0.081 0.000 1.046 449 K CA 1.386 57.714 56.287 0.068 0.000 0.938 449 K CB 0.189 32.732 32.500 0.071 0.000 0.737 449 K HN 0.470 nan 8.250 nan 0.000 0.458 450 E N -0.389 119.848 120.200 0.062 0.000 2.391 450 E HA 0.040 4.390 4.350 -0.000 0.000 0.206 450 E C 0.132 176.781 176.600 0.082 0.000 0.851 450 E CA -0.017 56.427 56.400 0.073 0.000 1.059 450 E CB 0.485 30.220 29.700 0.059 0.000 1.065 450 E HN 0.036 nan 8.360 nan 0.000 0.512 451 K N 1.696 122.133 120.400 0.062 0.000 3.006 451 K HA 0.170 4.490 4.320 -0.000 0.000 0.265 451 K C -0.806 175.819 176.600 0.040 0.000 1.279 451 K CA -0.060 56.270 56.287 0.071 0.000 1.229 451 K CB -0.005 32.529 32.500 0.056 0.000 1.555 451 K HN -0.076 nan 8.250 nan 0.000 0.300 452 L N -0.583 120.685 121.223 0.074 0.000 2.410 452 L HA 0.432 4.772 4.340 -0.000 0.000 0.270 452 L C -0.743 176.235 176.870 0.181 0.000 0.983 452 L CA -0.211 54.667 54.840 0.063 0.000 0.822 452 L CB 2.073 44.159 42.059 0.046 0.000 1.285 452 L HN 0.095 nan 8.230 nan 0.000 0.409 453 S N 2.910 118.716 115.700 0.176 0.000 2.811 453 S HA 0.655 5.125 4.470 -0.000 0.000 0.311 453 S C -0.398 174.306 174.600 0.174 0.000 1.152 453 S CA -0.318 58.032 58.200 0.249 0.000 0.864 453 S CB 1.356 64.748 63.200 0.320 0.000 1.226 453 S HN 0.757 nan 8.310 nan 0.000 0.541 454 L N 1.073 122.330 121.223 0.056 0.000 3.086 454 L HA 0.607 4.947 4.340 -0.000 0.000 0.274 454 L C -1.142 175.675 176.870 -0.089 0.000 1.184 454 L CA 0.313 55.010 54.840 -0.240 0.000 1.002 454 L CB 0.537 42.470 42.059 -0.209 0.000 1.383 454 L HN 0.457 nan 8.230 nan 0.000 0.582 455 D N 0.753 121.201 120.400 0.080 0.000 2.479 455 D HA 0.260 4.900 4.640 -0.000 0.000 0.218 455 D C 1.449 177.832 176.300 0.138 0.000 1.131 455 D CA 0.043 54.093 54.000 0.083 0.000 0.916 455 D CB 0.858 41.705 40.800 0.079 0.000 1.022 455 D HN 0.130 nan 8.370 nan 0.000 0.515 456 L N 0.891 122.137 121.223 0.038 0.000 2.042 456 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 456 L C 1.933 178.847 176.870 0.074 0.000 1.076 456 L CA 1.188 56.051 54.840 0.039 0.000 0.749 456 L CB -0.139 41.861 42.059 -0.098 0.000 0.893 456 L HN 0.313 nan 8.230 nan 0.000 0.432 457 D N -0.538 119.877 120.400 0.024 0.000 2.133 457 D HA -0.227 4.413 4.640 -0.000 0.000 0.195 457 D C 2.203 178.480 176.300 -0.040 0.000 0.997 457 D CA 1.223 55.224 54.000 0.001 0.000 0.840 457 D CB 0.099 40.888 40.800 -0.019 0.000 0.947 457 D HN 0.146 nan 8.370 nan 0.000 0.452 458 Q N -0.479 119.257 119.800 -0.106 0.000 2.062 458 Q HA -0.127 4.213 4.340 -0.000 0.000 0.209 458 Q C 0.725 176.447 176.000 -0.464 0.000 0.996 458 Q CA 0.935 56.530 55.803 -0.346 0.000 0.859 458 Q CB -0.730 27.636 28.738 -0.619 0.000 0.920 458 Q HN 0.369 nan 8.270 nan 0.000 0.415 459 F N 0.806 120.614 119.950 -0.237 0.000 2.375 459 F HA 0.097 4.624 4.527 -0.000 0.000 0.313 459 F C -0.893 174.799 175.800 -0.179 0.000 1.176 459 F CA -1.954 55.850 58.000 -0.326 0.000 1.142 459 F CB -0.607 37.840 39.000 -0.922 0.000 1.275 459 F HN -0.041 nan 8.300 nan 0.000 0.544 460 P HA -0.187 nan 4.420 nan 0.000 0.214 460 P C 1.700 179.087 177.300 0.146 0.000 1.162 460 P CA 1.336 64.493 63.100 0.094 0.000 0.879 460 P CB 0.173 31.930 31.700 0.096 0.000 0.786 461 L N -0.079 121.276 121.223 0.220 0.000 2.549 461 L HA 0.122 4.462 4.340 -0.000 0.000 0.229 461 L C 2.171 179.256 176.870 0.358 0.000 1.158 461 L CA 1.364 56.377 54.840 0.290 0.000 0.842 461 L CB -1.466 40.787 42.059 0.323 0.000 0.952 461 L HN -0.067 nan 8.230 nan 0.000 0.452 462 G N -0.786 108.167 108.800 0.255 0.000 2.425 462 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.213 462 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.213 462 G C 1.709 176.745 174.900 0.225 0.000 1.201 462 G CA 0.379 45.610 45.100 0.218 0.000 0.799 462 G HN 0.326 nan 8.290 nan 0.000 0.534 463 R N -0.298 120.293 120.500 0.152 0.000 2.096 463 R HA -0.022 4.318 4.340 -0.000 0.000 0.240 463 R C 2.702 179.099 176.300 0.162 0.000 1.139 463 R CA 1.004 57.176 56.100 0.119 0.000 0.952 463 R CB -0.242 30.100 30.300 0.071 0.000 0.854 463 R HN 0.048 nan 8.270 nan 0.000 0.436 464 R N 0.015 120.641 120.500 0.210 0.000 2.170 464 R HA -0.152 4.188 4.340 -0.000 0.000 0.242 464 R C 1.867 178.380 176.300 0.354 0.000 1.145 464 R CA 1.363 57.620 56.100 0.261 0.000 0.984 464 R CB -0.475 29.995 30.300 0.283 0.000 0.869 464 R HN 0.269 nan 8.270 nan 0.000 0.455 465 F N 0.439 120.506 119.950 0.195 0.000 2.104 465 F HA -0.041 4.486 4.527 -0.000 0.000 0.288 465 F C 2.127 177.824 175.800 -0.172 0.000 1.107 465 F CA 0.897 58.876 58.000 -0.034 0.000 1.208 465 F CB -0.391 38.631 39.000 0.037 0.000 1.033 465 F HN -0.155 nan 8.300 nan 0.000 0.478 466 L N 0.618 122.038 121.223 0.328 0.000 2.081 466 L HA -0.276 4.064 4.340 -0.000 0.000 0.212 466 L C 2.771 179.617 176.870 -0.040 0.000 1.080 466 L CA 1.090 56.007 54.840 0.129 0.000 0.754 466 L CB -1.439 40.687 42.059 0.111 0.000 0.893 466 L HN 0.358 nan 8.230 nan 0.000 0.433 467 A N -0.071 122.740 122.820 -0.015 0.000 1.859 467 A HA -0.342 3.978 4.320 -0.000 0.000 0.217 467 A C 2.292 179.808 177.584 -0.113 0.000 1.198 467 A CA 2.247 54.262 52.037 -0.038 0.000 0.629 467 A CB -0.785 18.221 19.000 0.010 0.000 0.830 467 A HN 0.503 nan 8.150 nan 0.000 0.446 468 Q N -1.433 118.249 119.800 -0.197 0.000 2.135 468 Q HA -0.296 4.044 4.340 -0.000 0.000 0.204 468 Q C 2.241 178.050 176.000 -0.319 0.000 0.981 468 Q CA 1.991 57.625 55.803 -0.283 0.000 0.856 468 Q CB -0.143 28.314 28.738 -0.468 0.000 0.902 468 Q HN 0.699 nan 8.270 nan 0.000 0.425 469 Q N -0.869 118.698 119.800 -0.388 0.000 2.084 469 Q HA -0.100 4.240 4.340 -0.000 0.000 0.202 469 Q C 1.216 177.114 176.000 -0.170 0.000 0.978 469 Q CA 2.262 57.879 55.803 -0.311 0.000 0.844 469 Q CB -0.172 28.395 28.738 -0.285 0.000 0.898 469 Q HN 0.574 nan 8.270 nan 0.000 0.426 470 G N -2.108 106.617 108.800 -0.125 0.000 2.316 470 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.203 470 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.203 470 G C 0.201 175.065 174.900 -0.060 0.000 0.999 470 G CA -0.010 45.039 45.100 -0.084 0.000 0.649 470 G HN 0.791 nan 8.290 nan 0.000 0.489 471 A N 1.158 123.944 122.820 -0.058 0.000 3.004 471 A HA 0.698 5.018 4.320 -0.000 0.000 0.286 471 A C 0.763 178.333 177.584 -0.024 0.000 1.632 471 A CA 0.891 52.906 52.037 -0.036 0.000 1.339 471 A CB -0.431 18.549 19.000 -0.034 0.000 1.136 471 A HN 1.662 nan 8.150 nan 0.000 0.577 472 G N -0.712 108.074 108.800 -0.024 0.000 2.470 472 G HA2 0.411 4.371 3.960 -0.000 0.000 0.320 472 G HA3 0.411 4.371 3.960 -0.000 0.000 0.320 472 G C 0.200 175.093 174.900 -0.011 0.000 1.245 472 G CA -0.258 44.833 45.100 -0.015 0.000 0.935 472 G HN 0.478 nan 8.290 nan 0.000 0.476 473 C N 1.095 120.392 119.300 -0.005 0.000 2.780 473 C HA 0.557 5.017 4.460 -0.000 0.000 0.267 473 C C 1.350 176.338 174.990 -0.005 0.000 1.266 473 C CA 0.361 59.375 59.018 -0.007 0.000 1.709 473 C CB -0.592 27.143 27.740 -0.008 0.000 1.975 473 C HN 0.680 nan 8.230 nan 0.000 0.582 474 S N 0.478 116.178 115.700 0.000 0.000 2.511 474 S HA 0.301 4.771 4.470 -0.000 0.000 0.233 474 S C -0.591 174.012 174.600 0.005 0.000 1.104 474 S CA -0.179 58.023 58.200 0.003 0.000 1.129 474 S CB 0.489 63.694 63.200 0.009 0.000 1.159 474 S HN 0.341 nan 8.310 nan 0.000 0.451 475 T N 3.412 117.965 114.554 -0.002 0.000 2.869 475 T HA 0.254 4.604 4.350 -0.000 0.000 0.295 475 T C 0.450 175.151 174.700 0.001 0.000 0.987 475 T CA -0.327 61.770 62.100 -0.006 0.000 1.109 475 T CB 1.125 69.984 68.868 -0.014 0.000 0.932 475 T HN 0.492 nan 8.240 nan 0.000 0.518 476 V N 5.993 125.911 119.914 0.006 0.000 2.157 476 V HA 0.243 4.363 4.120 -0.000 0.000 0.241 476 V C 0.517 176.613 176.094 0.004 0.000 1.349 476 V CA 0.258 62.566 62.300 0.013 0.000 1.319 476 V CB -1.286 30.554 31.823 0.028 0.000 1.421 476 V HN 0.561 nan 8.190 nan 0.000 0.501 477 R N 3.841 124.341 120.500 0.000 0.000 2.518 477 R HA 0.346 4.686 4.340 -0.000 0.000 0.287 477 R C -0.438 175.860 176.300 -0.004 0.000 1.135 477 R CA -0.499 55.599 56.100 -0.004 0.000 0.967 477 R CB 2.071 32.367 30.300 -0.008 0.000 1.212 477 R HN 0.718 nan 8.270 nan 0.000 0.422 478 K N 2.174 122.572 120.400 -0.003 0.000 2.842 478 K HA 0.416 4.736 4.320 -0.000 0.000 0.176 478 K C -0.396 176.201 176.600 -0.005 0.000 1.080 478 K CA -0.683 55.601 56.287 -0.004 0.000 0.954 478 K CB 1.165 33.664 32.500 -0.002 0.000 1.203 478 K HN 0.249 nan 8.250 nan 0.000 0.611 479 R N 2.366 122.862 120.500 -0.006 0.000 2.538 479 R HA 0.031 4.371 4.340 -0.000 0.000 0.282 479 R C -0.099 176.197 176.300 -0.006 0.000 1.009 479 R CA 0.212 56.308 56.100 -0.007 0.000 1.063 479 R CB 0.330 30.625 30.300 -0.008 0.000 0.945 479 R HN 0.631 nan 8.270 nan 0.000 0.414 480 R N 2.668 123.165 120.500 -0.006 0.000 2.480 480 R HA 0.447 4.787 4.340 -0.000 0.000 0.306 480 R C -0.765 175.532 176.300 -0.006 0.000 0.958 480 R CA -0.783 55.313 56.100 -0.005 0.000 0.861 480 R CB 1.167 31.465 30.300 -0.005 0.000 1.171 480 R HN 0.305 nan 8.270 nan 0.000 0.445 481 I N 1.591 122.158 120.570 -0.006 0.000 2.562 481 I HA 0.522 4.692 4.170 -0.000 0.000 0.301 481 I C 0.068 176.182 176.117 -0.005 0.000 1.003 481 I CA -0.493 60.804 61.300 -0.006 0.000 1.127 481 I CB 1.749 39.746 38.000 -0.006 0.000 1.304 481 I HN 0.879 nan 8.210 nan 0.000 0.446 482 S N 0.000 115.697 115.700 -0.005 0.000 2.498 482 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 482 S CA 0.000 58.197 58.200 -0.004 0.000 1.107 482 S CB 0.000 63.197 63.200 -0.004 0.000 0.593 482 S HN 0.000 nan 8.310 nan 0.000 0.517