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 1elx_1_B DATA FIRST_RESID 1 DATA SEQUENCE TPEMPVLENR AAQGDITAPG GARRLTGDQT AALRDSLSDK PAKNIILLIG DATA SEQUENCE DGMGDSEITA ARNYAEGAGG FFKGIDALPL TGQYTHYALN KKTGKPDYVT DATA SEQUENCE DAAASATAWS TGVKTYNGAL GVDIHEKDHP TILEMAKAAG LATGNVSTAE DATA SEQUENCE LQDATPAALV AHVTSRKcYG PSATSEKcPG NALEKGGKGS ITEQLLNARA DATA SEQUENCE DVTLGGGAKT FAETATAGEW QGKTLREQAQ ARGYQLVSDA ASLNSVTEAN DATA SEQUENCE QQKPLLGLFA DGNMPVRWLG PKATYHGNID KPAVTcTPNP QRNDSVPTLA DATA SEQUENCE QMTDKAIELL SKNEKGFFLQ VEGASIDKQD HAANPcGQIG ETVDLDEAVQ DATA SEQUENCE RALEFAKKEG NTLVIVTADH AHASQIVAPD TKAPGLTQAL NTKDGAVMVM DATA SEQUENCE SYGNSEEDSQ EHTGSQLRIA AYGPHAANVV GLTDQTDLFY TMKAALGLK 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.691 174.700 -0.015 0.000 1.109 1 T CA 0.000 62.090 62.100 -0.017 0.000 1.349 1 T CB 0.000 68.854 68.868 -0.023 0.000 0.612 2 P HA 0.464 nan 4.420 nan 0.000 0.263 2 P C -0.623 176.670 177.300 -0.013 0.000 1.247 2 P CA 0.062 63.153 63.100 -0.016 0.000 0.876 2 P CB 0.023 31.709 31.700 -0.022 0.000 0.928 3 E N 2.723 122.923 120.200 0.001 0.000 2.344 3 E HA 0.166 4.517 4.350 0.001 0.000 0.270 3 E C -0.047 176.573 176.600 0.034 0.000 1.021 3 E CA 0.329 56.742 56.400 0.021 0.000 0.887 3 E CB 0.287 30.005 29.700 0.029 0.000 0.997 3 E HN 0.378 nan 8.360 nan 0.000 0.429 4 M N 5.600 125.234 119.600 0.056 0.000 2.144 4 M HA 0.309 4.789 4.480 0.001 0.000 0.356 4 M C -2.077 174.355 176.300 0.221 0.000 1.217 4 M CA -1.932 53.410 55.300 0.071 0.000 1.087 4 M CB 1.148 33.703 32.600 -0.076 0.000 1.609 4 M HN 0.212 nan 8.290 nan 0.000 0.467 5 P HA 0.094 nan 4.420 nan 0.000 0.271 5 P C -1.160 176.267 177.300 0.211 0.000 1.218 5 P CA -0.426 62.761 63.100 0.145 0.000 0.780 5 P CB 0.694 32.441 31.700 0.078 0.000 0.901 6 V N 5.364 125.319 119.914 0.068 0.000 2.376 6 V HA 0.246 4.366 4.120 0.001 0.000 0.287 6 V C -0.317 175.782 176.094 0.008 0.000 1.015 6 V CA -0.975 61.293 62.300 -0.053 0.000 0.834 6 V CB 0.115 31.726 31.823 -0.353 0.000 1.001 6 V HN 0.358 nan 8.190 nan 0.000 0.428 7 L N 5.599 126.860 121.223 0.062 0.000 2.927 7 L HA -0.135 4.205 4.340 0.001 0.000 0.292 7 L C 1.403 178.323 176.870 0.083 0.000 1.088 7 L CA 0.562 55.448 54.840 0.077 0.000 0.969 7 L CB -0.280 41.872 42.059 0.155 0.000 1.399 7 L HN 0.779 nan 8.230 nan 0.000 0.458 8 E N 2.055 122.243 120.200 -0.021 0.000 2.122 8 E HA -0.048 4.303 4.350 0.001 0.000 0.190 8 E C 0.426 176.891 176.600 -0.225 0.000 0.977 8 E CA 0.720 57.095 56.400 -0.042 0.000 0.820 8 E CB 0.289 29.962 29.700 -0.044 0.000 0.770 8 E HN 0.628 nan 8.360 nan 0.000 0.462 9 N N -0.381 118.052 118.700 -0.445 0.000 2.629 9 N HA 0.132 4.873 4.740 0.001 0.000 0.277 9 N C -0.758 174.263 175.510 -0.815 0.000 1.188 9 N CA -0.203 52.386 53.050 -0.768 0.000 0.835 9 N CB 0.592 38.859 38.487 -0.366 0.000 1.420 9 N HN -0.190 nan 8.380 nan 0.000 0.542 10 R N 1.303 120.928 120.500 -1.459 0.000 2.468 10 R HA 0.377 4.718 4.340 0.001 0.000 0.280 10 R C 0.139 176.278 176.300 -0.270 0.000 0.963 10 R CA -0.194 55.576 56.100 -0.550 0.000 1.083 10 R CB 0.190 30.429 30.300 -0.101 0.000 1.200 10 R HN 0.517 nan 8.270 nan 0.000 0.541 11 A N 1.123 123.736 122.820 -0.344 0.000 2.386 11 A HA 0.516 4.837 4.320 0.001 0.000 0.246 11 A C 0.387 177.925 177.584 -0.076 0.000 1.089 11 A CA -0.053 51.942 52.037 -0.070 0.000 0.790 11 A CB 0.236 19.209 19.000 -0.045 0.000 1.042 11 A HN 0.333 nan 8.150 nan 0.000 0.497 12 A N 0.090 122.889 122.820 -0.034 0.000 2.520 12 A HA 0.283 4.604 4.320 0.001 0.000 0.235 12 A C 0.954 178.511 177.584 -0.044 0.000 1.065 12 A CA 0.018 52.035 52.037 -0.033 0.000 0.764 12 A CB 0.084 19.071 19.000 -0.021 0.000 1.002 12 A HN 0.795 nan 8.150 nan 0.000 0.502 13 Q N 0.598 120.373 119.800 -0.041 0.000 2.378 13 Q HA 0.156 4.496 4.340 0.001 0.000 0.205 13 Q C 1.127 177.108 176.000 -0.033 0.000 0.954 13 Q CA 1.329 57.107 55.803 -0.042 0.000 0.901 13 Q CB 0.167 28.882 28.738 -0.038 0.000 0.981 13 Q HN 1.030 nan 8.270 nan 0.000 0.483 14 G N -0.291 108.493 108.800 -0.027 0.000 3.074 14 G HA2 -0.046 3.914 3.960 0.001 0.000 0.127 14 G HA3 -0.046 3.914 3.960 0.001 0.000 0.127 14 G C -1.466 173.422 174.900 -0.019 0.000 1.216 14 G CA -0.348 44.738 45.100 -0.022 0.000 1.390 14 G HN 0.103 nan 8.290 nan 0.000 0.676 15 D N 1.925 122.315 120.400 -0.017 0.000 2.344 15 D HA 0.189 4.830 4.640 0.001 0.000 0.253 15 D C 2.008 178.299 176.300 -0.014 0.000 1.255 15 D CA -0.346 53.645 54.000 -0.015 0.000 0.894 15 D CB 0.447 41.239 40.800 -0.013 0.000 1.067 15 D HN 0.498 nan 8.370 nan 0.000 0.492 16 I N 1.512 122.073 120.570 -0.014 0.000 2.850 16 I HA -0.158 4.012 4.170 0.001 0.000 0.266 16 I C 1.327 177.437 176.117 -0.011 0.000 1.257 16 I CA 1.306 62.598 61.300 -0.013 0.000 1.465 16 I CB -0.431 37.561 38.000 -0.013 0.000 1.091 16 I HN 0.307 nan 8.210 nan 0.000 0.467 17 T N -1.312 113.236 114.554 -0.010 0.000 3.065 17 T HA 0.488 4.839 4.350 0.001 0.000 0.252 17 T C 0.858 175.553 174.700 -0.008 0.000 1.099 17 T CA 0.173 62.268 62.100 -0.009 0.000 1.063 17 T CB -0.151 68.712 68.868 -0.009 0.000 0.948 17 T HN 0.418 nan 8.240 nan 0.000 0.506 18 A N 2.172 124.986 122.820 -0.009 0.000 2.295 18 A HA 0.703 5.024 4.320 0.001 0.000 0.318 18 A C -2.715 174.864 177.584 -0.009 0.000 1.134 18 A CA -2.145 49.886 52.037 -0.009 0.000 0.827 18 A CB 0.282 19.276 19.000 -0.010 0.000 1.136 18 A HN 0.185 nan 8.150 nan 0.000 0.493 19 P HA 0.262 nan 4.420 nan 0.000 0.262 19 P C 0.939 178.233 177.300 -0.009 0.000 1.199 19 P CA 1.969 65.065 63.100 -0.008 0.000 0.763 19 P CB 0.555 32.251 31.700 -0.007 0.000 0.790 20 G N 3.154 111.948 108.800 -0.010 0.000 2.184 20 G HA2 -0.284 3.676 3.960 0.001 0.000 0.264 20 G HA3 -0.284 3.676 3.960 0.001 0.000 0.264 20 G C 1.205 176.097 174.900 -0.014 0.000 0.975 20 G CA 0.274 45.367 45.100 -0.012 0.000 0.642 20 G HN 0.696 nan 8.290 nan 0.000 0.536 21 G N 0.098 108.890 108.800 -0.014 0.000 2.464 21 G HA2 0.355 4.316 3.960 0.001 0.000 0.217 21 G HA3 0.355 4.316 3.960 0.001 0.000 0.217 21 G C 1.611 176.501 174.900 -0.017 0.000 1.138 21 G CA 1.758 46.848 45.100 -0.016 0.000 0.793 21 G HN 1.531 nan 8.290 nan 0.000 0.539 22 A N -0.003 122.808 122.820 -0.014 0.000 2.275 22 A HA 0.406 4.727 4.320 0.001 0.000 0.212 22 A C 1.251 178.826 177.584 -0.014 0.000 1.201 22 A CA -0.432 51.597 52.037 -0.013 0.000 0.843 22 A CB -0.024 18.971 19.000 -0.009 0.000 0.873 22 A HN 0.289 nan 8.150 nan 0.000 0.492 23 R N -0.058 120.432 120.500 -0.017 0.000 2.623 23 R HA 0.232 4.572 4.340 0.001 0.000 0.271 23 R C 0.818 177.100 176.300 -0.029 0.000 1.043 23 R CA 0.051 56.140 56.100 -0.019 0.000 1.083 23 R CB 0.452 30.739 30.300 -0.020 0.000 0.974 23 R HN 0.366 nan 8.270 nan 0.000 0.436 24 R N 1.703 122.187 120.500 -0.027 0.000 2.206 24 R HA 0.175 4.516 4.340 0.001 0.000 0.198 24 R C 0.348 176.611 176.300 -0.062 0.000 0.986 24 R CA 0.275 56.348 56.100 -0.045 0.000 1.029 24 R CB 0.240 30.530 30.300 -0.016 0.000 0.966 24 R HN 0.396 nan 8.270 nan 0.000 0.487 25 L N 0.682 121.882 121.223 -0.040 0.000 2.418 25 L HA 0.155 4.496 4.340 0.001 0.000 0.265 25 L C 1.405 178.250 176.870 -0.041 0.000 1.143 25 L CA 0.039 54.856 54.840 -0.039 0.000 0.809 25 L CB 1.508 43.555 42.059 -0.021 0.000 1.124 25 L HN 0.196 nan 8.230 nan 0.000 0.456 26 T N -2.828 111.701 114.554 -0.042 0.000 2.987 26 T HA 0.353 4.703 4.350 0.001 0.000 0.248 26 T C 0.508 175.192 174.700 -0.027 0.000 0.997 26 T CA 0.285 62.362 62.100 -0.038 0.000 1.013 26 T CB 0.828 69.668 68.868 -0.046 0.000 1.077 26 T HN 0.713 nan 8.240 nan 0.000 0.483 27 G N 0.112 108.897 108.800 -0.024 0.000 2.782 27 G HA2 0.459 4.420 3.960 0.001 0.000 0.304 27 G HA3 0.459 4.420 3.960 0.001 0.000 0.304 27 G C -2.041 172.852 174.900 -0.013 0.000 1.315 27 G CA -0.602 44.487 45.100 -0.017 0.000 0.791 27 G HN 0.126 nan 8.290 nan 0.000 0.519 28 D N -0.500 119.894 120.400 -0.009 0.000 2.390 28 D HA 0.182 4.823 4.640 0.001 0.000 0.249 28 D C 0.717 177.015 176.300 -0.003 0.000 1.144 28 D CA -0.049 53.948 54.000 -0.005 0.000 0.880 28 D CB 1.862 42.659 40.800 -0.004 0.000 1.182 28 D HN 0.215 nan 8.370 nan 0.000 0.451 29 Q N 1.133 120.932 119.800 -0.000 0.000 2.212 29 Q HA -0.044 4.296 4.340 0.001 0.000 0.199 29 Q C 1.900 177.902 176.000 0.004 0.000 0.950 29 Q CA 0.788 56.593 55.803 0.003 0.000 0.863 29 Q CB -0.132 28.611 28.738 0.008 0.000 0.944 29 Q HN 0.570 nan 8.270 nan 0.000 0.465 30 T N 0.475 115.031 114.554 0.003 0.000 2.668 30 T HA -0.354 3.997 4.350 0.001 0.000 0.265 30 T C 1.666 176.367 174.700 0.001 0.000 1.041 30 T CA 1.838 63.939 62.100 0.002 0.000 1.160 30 T CB -0.498 68.370 68.868 0.001 0.000 0.857 30 T HN 0.474 nan 8.240 nan 0.000 0.455 31 A N 1.102 123.922 122.820 0.000 0.000 1.854 31 A HA 0.348 4.669 4.320 0.001 0.000 0.214 31 A C 2.714 180.299 177.584 0.002 0.000 1.192 31 A CA 1.686 53.723 52.037 -0.001 0.000 0.611 31 A CB -1.212 17.787 19.000 -0.002 0.000 0.832 31 A HN 0.534 nan 8.150 nan 0.000 0.442 32 A N -0.592 122.230 122.820 0.005 0.000 1.917 32 A HA -0.132 4.188 4.320 0.001 0.000 0.219 32 A C 2.153 179.746 177.584 0.016 0.000 1.182 32 A CA 1.894 53.938 52.037 0.011 0.000 0.633 32 A CB -0.620 18.387 19.000 0.012 0.000 0.819 32 A HN 0.489 nan 8.150 nan 0.000 0.448 33 L N -0.807 120.423 121.223 0.013 0.000 2.072 33 L HA -0.043 4.298 4.340 0.001 0.000 0.205 33 L C 2.560 179.432 176.870 0.003 0.000 1.079 33 L CA 1.890 56.738 54.840 0.013 0.000 0.752 33 L CB -0.434 41.632 42.059 0.012 0.000 0.906 33 L HN 0.434 nan 8.230 nan 0.000 0.436 34 R N -0.515 119.984 120.500 -0.001 0.000 2.127 34 R HA -0.180 4.161 4.340 0.001 0.000 0.238 34 R C 1.105 177.397 176.300 -0.014 0.000 1.134 34 R CA 1.674 57.769 56.100 -0.009 0.000 0.975 34 R CB -0.173 30.123 30.300 -0.008 0.000 0.865 34 R HN 0.382 nan 8.270 nan 0.000 0.447 35 D N -0.814 119.582 120.400 -0.007 0.000 2.349 35 D HA 0.009 4.649 4.640 0.001 0.000 0.224 35 D C 1.007 177.298 176.300 -0.015 0.000 1.029 35 D CA 0.598 54.593 54.000 -0.009 0.000 0.879 35 D CB 0.463 41.264 40.800 0.002 0.000 0.906 35 D HN 0.123 nan 8.370 nan 0.000 0.528 36 S N -0.379 115.312 115.700 -0.016 0.000 2.503 36 S HA 0.166 4.636 4.470 0.001 0.000 0.215 36 S C 1.009 175.563 174.600 -0.077 0.000 1.003 36 S CA -0.258 57.921 58.200 -0.035 0.000 0.910 36 S CB 0.730 63.934 63.200 0.006 0.000 0.790 36 S HN 0.186 nan 8.310 nan 0.000 0.514 37 L N 2.789 123.976 121.223 -0.060 0.000 2.407 37 L HA 0.355 4.695 4.340 0.001 0.000 0.282 37 L C 0.171 176.982 176.870 -0.099 0.000 1.110 37 L CA -0.158 54.638 54.840 -0.075 0.000 0.863 37 L CB 0.584 42.612 42.059 -0.051 0.000 1.207 37 L HN 0.079 nan 8.230 nan 0.000 0.454 38 S N 1.387 117.002 115.700 -0.141 0.000 2.548 38 S HA 0.360 4.831 4.470 0.001 0.000 0.276 38 S C -0.299 174.130 174.600 -0.286 0.000 1.129 38 S CA -0.853 57.244 58.200 -0.172 0.000 0.931 38 S CB 1.532 64.638 63.200 -0.158 0.000 1.068 38 S HN 0.666 nan 8.310 nan 0.000 0.480 39 D N 2.666 122.890 120.400 -0.294 0.000 2.463 39 D HA 0.223 4.863 4.640 0.001 0.000 0.224 39 D C 0.291 176.373 176.300 -0.364 0.000 1.174 39 D CA -0.322 53.378 54.000 -0.501 0.000 0.829 39 D CB 0.016 40.643 40.800 -0.288 0.000 0.993 39 D HN 0.399 nan 8.370 nan 0.000 0.497 40 K N 1.204 121.469 120.400 -0.225 0.000 2.286 40 K HA 0.191 4.511 4.320 0.001 0.000 0.256 40 K C -2.281 174.339 176.600 0.034 0.000 0.999 40 K CA -1.227 55.014 56.287 -0.076 0.000 0.908 40 K CB 0.491 32.951 32.500 -0.067 0.000 0.981 40 K HN 0.081 nan 8.250 nan 0.000 0.500 41 P HA 0.164 nan 4.420 nan 0.000 0.290 41 P C -1.571 175.784 177.300 0.092 0.000 1.275 41 P CA -0.540 62.666 63.100 0.176 0.000 0.841 41 P CB 1.570 33.322 31.700 0.087 0.000 1.042 42 A N 3.160 126.028 122.820 0.081 0.000 2.401 42 A HA 0.166 4.486 4.320 0.001 0.000 0.259 42 A C 1.408 178.976 177.584 -0.026 0.000 1.103 42 A CA -0.247 51.800 52.037 0.018 0.000 0.789 42 A CB 0.050 19.053 19.000 0.004 0.000 1.035 42 A HN 0.567 nan 8.150 nan 0.000 0.491 43 K N 1.108 121.479 120.400 -0.048 0.000 2.098 43 K HA -0.012 4.308 4.320 0.001 0.000 0.203 43 K C 0.145 176.653 176.600 -0.152 0.000 1.051 43 K CA 0.986 57.231 56.287 -0.070 0.000 0.957 43 K CB -0.003 32.463 32.500 -0.057 0.000 0.738 43 K HN 0.903 nan 8.250 nan 0.000 0.447 44 N N -0.507 118.056 118.700 -0.230 0.000 2.761 44 N HA 0.432 5.173 4.740 0.001 0.000 0.283 44 N C -0.760 174.620 175.510 -0.216 0.000 1.377 44 N CA -0.637 52.143 53.050 -0.450 0.000 0.791 44 N CB 1.999 39.781 38.487 -1.175 0.000 1.540 44 N HN -0.126 nan 8.380 nan 0.000 0.539 45 I N 0.829 121.282 120.570 -0.196 0.000 2.743 45 I HA 0.368 4.539 4.170 0.001 0.000 0.292 45 I C -1.411 174.640 176.117 -0.110 0.000 1.343 45 I CA -0.497 60.765 61.300 -0.062 0.000 1.038 45 I CB 2.504 40.537 38.000 0.056 0.000 1.311 45 I HN 0.350 nan 8.210 nan 0.000 0.426 46 I N 6.400 126.920 120.570 -0.083 0.000 2.466 46 I HA 0.411 4.581 4.170 0.001 0.000 0.289 46 I C -1.223 174.803 176.117 -0.151 0.000 1.026 46 I CA -0.755 60.465 61.300 -0.133 0.000 1.078 46 I CB 2.184 40.162 38.000 -0.036 0.000 1.249 46 I HN 0.237 nan 8.210 nan 0.000 0.429 47 L N 7.908 128.994 121.223 -0.228 0.000 2.319 47 L HA 0.550 4.891 4.340 0.001 0.000 0.281 47 L C -1.408 175.336 176.870 -0.210 0.000 1.005 47 L CA -0.374 54.345 54.840 -0.202 0.000 0.828 47 L CB 1.292 43.239 42.059 -0.187 0.000 1.227 47 L HN 0.399 nan 8.230 nan 0.000 0.415 48 L N 6.692 127.793 121.223 -0.202 0.000 2.276 48 L HA 0.418 4.758 4.340 0.001 0.000 0.286 48 L C -0.410 176.317 176.870 -0.237 0.000 1.024 48 L CA -0.379 54.345 54.840 -0.193 0.000 0.826 48 L CB 1.411 43.372 42.059 -0.163 0.000 1.211 48 L HN 0.516 nan 8.230 nan 0.000 0.422 49 I N 3.050 123.482 120.570 -0.230 0.000 2.304 49 I HA 0.267 4.438 4.170 0.001 0.000 0.291 49 I C 0.979 176.995 176.117 -0.167 0.000 1.018 49 I CA -0.214 60.939 61.300 -0.245 0.000 1.260 49 I CB 1.406 39.270 38.000 -0.226 0.000 1.390 49 I HN 0.551 nan 8.210 nan 0.000 0.475 50 G N 5.351 114.046 108.800 -0.176 0.000 2.696 50 G HA2 0.066 4.026 3.960 0.001 0.000 0.329 50 G HA3 0.066 4.026 3.960 0.001 0.000 0.329 50 G C 0.074 174.891 174.900 -0.139 0.000 0.973 50 G CA -0.373 44.637 45.100 -0.151 0.000 1.257 50 G HN 0.609 nan 8.290 nan 0.000 0.456 51 D N 2.341 122.682 120.400 -0.098 0.000 2.536 51 D HA 0.163 4.803 4.640 0.001 0.000 0.260 51 D C 1.561 177.795 176.300 -0.110 0.000 1.270 51 D CA 1.692 55.637 54.000 -0.092 0.000 0.934 51 D CB 0.187 40.996 40.800 0.016 0.000 1.129 51 D HN 0.805 nan 8.370 nan 0.000 0.533 52 G N 4.225 112.843 108.800 -0.303 0.000 2.143 52 G HA2 -0.304 3.656 3.960 0.001 0.000 0.248 52 G HA3 -0.304 3.656 3.960 0.001 0.000 0.248 52 G C 0.666 175.535 174.900 -0.051 0.000 0.991 52 G CA 0.339 45.327 45.100 -0.187 0.000 0.689 52 G HN 0.581 nan 8.290 nan 0.000 0.522 53 M N 1.975 121.511 119.600 -0.106 0.000 3.422 53 M HA 0.448 4.929 4.480 0.001 0.000 0.248 53 M C 1.020 177.285 176.300 -0.057 0.000 1.433 53 M CA 0.443 55.696 55.300 -0.077 0.000 1.592 53 M CB -0.702 31.829 32.600 -0.115 0.000 1.078 53 M HN 0.269 nan 8.290 nan 0.000 0.578 54 G N 1.529 110.324 108.800 -0.009 0.000 2.588 54 G HA2 0.135 4.095 3.960 0.001 0.000 0.281 54 G HA3 0.135 4.095 3.960 0.001 0.000 0.281 54 G C -0.016 174.900 174.900 0.026 0.000 1.236 54 G CA -0.434 44.679 45.100 0.022 0.000 0.969 54 G HN 0.671 nan 8.290 nan 0.000 0.504 55 D N -0.720 119.704 120.400 0.041 0.000 2.158 55 D HA -0.160 4.481 4.640 0.001 0.000 0.197 55 D C 2.457 178.783 176.300 0.043 0.000 0.995 55 D CA 1.765 55.789 54.000 0.041 0.000 0.846 55 D CB 0.083 40.912 40.800 0.048 0.000 0.941 55 D HN 0.270 nan 8.370 nan 0.000 0.456 56 S N -0.346 115.379 115.700 0.042 0.000 2.368 56 S HA -0.168 4.303 4.470 0.001 0.000 0.224 56 S C 1.768 176.386 174.600 0.029 0.000 1.029 56 S CA 0.964 59.182 58.200 0.031 0.000 0.988 56 S CB -0.098 63.115 63.200 0.021 0.000 0.838 56 S HN 0.047 nan 8.310 nan 0.000 0.462 57 E N 1.179 121.395 120.200 0.026 0.000 2.110 57 E HA -0.025 4.325 4.350 0.001 0.000 0.193 57 E C 1.864 178.487 176.600 0.040 0.000 0.988 57 E CA 1.227 57.637 56.400 0.017 0.000 0.804 57 E CB -0.280 29.418 29.700 -0.003 0.000 0.745 57 E HN 0.598 nan 8.360 nan 0.000 0.458 58 I N 0.201 120.802 120.570 0.051 0.000 2.202 58 I HA -0.258 3.912 4.170 0.001 0.000 0.242 58 I C 2.048 178.264 176.117 0.164 0.000 1.091 58 I CA 1.356 62.723 61.300 0.113 0.000 1.368 58 I CB -0.502 37.548 38.000 0.084 0.000 1.058 58 I HN 0.121 nan 8.210 nan 0.000 0.410 59 T N 1.019 115.631 114.554 0.096 0.000 2.684 59 T HA -0.181 4.169 4.350 0.001 0.000 0.267 59 T C 2.072 176.820 174.700 0.080 0.000 1.036 59 T CA 1.544 63.687 62.100 0.073 0.000 1.148 59 T CB -0.422 68.474 68.868 0.047 0.000 0.863 59 T HN 0.471 nan 8.240 nan 0.000 0.436 60 A N 1.305 124.172 122.820 0.078 0.000 1.978 60 A HA 0.140 4.460 4.320 0.001 0.000 0.220 60 A C 2.583 180.256 177.584 0.148 0.000 1.170 60 A CA 1.843 53.935 52.037 0.092 0.000 0.636 60 A CB -0.964 18.070 19.000 0.056 0.000 0.810 60 A HN 0.528 nan 8.150 nan 0.000 0.448 61 A N -0.534 122.391 122.820 0.175 0.000 1.872 61 A HA -0.069 4.252 4.320 0.001 0.000 0.214 61 A C 2.251 180.024 177.584 0.314 0.000 1.187 61 A CA 1.430 53.633 52.037 0.277 0.000 0.614 61 A CB -0.479 18.697 19.000 0.294 0.000 0.826 61 A HN 0.511 nan 8.150 nan 0.000 0.442 62 R N -0.275 120.300 120.500 0.125 0.000 2.070 62 R HA -0.188 4.153 4.340 0.001 0.000 0.233 62 R C 1.973 178.194 176.300 -0.133 0.000 1.137 62 R CA 1.886 57.751 56.100 -0.393 0.000 0.945 62 R CB -0.404 29.634 30.300 -0.438 0.000 0.845 62 R HN 0.504 nan 8.270 nan 0.000 0.430 63 N N -0.081 118.613 118.700 -0.010 0.000 2.037 63 N HA -0.247 4.493 4.740 0.001 0.000 0.196 63 N C 1.488 177.041 175.510 0.072 0.000 1.034 63 N CA 1.755 54.820 53.050 0.025 0.000 0.861 63 N CB -0.666 37.856 38.487 0.058 0.000 1.039 63 N HN 0.332 nan 8.380 nan 0.000 0.427 64 Y N 0.573 120.902 120.300 0.048 0.000 2.184 64 Y HA 0.033 4.584 4.550 0.001 0.000 0.290 64 Y C 2.147 178.110 175.900 0.104 0.000 1.129 64 Y CA 1.695 59.848 58.100 0.089 0.000 1.144 64 Y CB -0.483 38.066 38.460 0.149 0.000 0.995 64 Y HN 0.079 nan 8.280 nan 0.000 0.513 65 A N -0.030 122.997 122.820 0.346 0.000 1.855 65 A HA -0.022 4.298 4.320 0.001 0.000 0.213 65 A C 1.809 179.411 177.584 0.030 0.000 1.195 65 A CA 1.530 53.726 52.037 0.264 0.000 0.610 65 A CB -0.315 18.959 19.000 0.456 0.000 0.837 65 A HN 0.469 nan 8.150 nan 0.000 0.444 66 E N -0.636 119.518 120.200 -0.076 0.000 2.498 66 E HA 0.344 4.695 4.350 0.001 0.000 0.203 66 E C 0.717 177.252 176.600 -0.107 0.000 1.013 66 E CA 0.552 56.882 56.400 -0.118 0.000 0.927 66 E CB 0.184 29.739 29.700 -0.241 0.000 1.012 66 E HN 0.735 nan 8.360 nan 0.000 0.482 67 G N 1.067 109.808 108.800 -0.099 0.000 2.730 67 G HA2 -0.188 3.773 3.960 0.001 0.000 0.686 67 G HA3 -0.188 3.773 3.960 0.001 0.000 0.686 67 G C 0.772 175.632 174.900 -0.068 0.000 1.343 67 G CA -0.270 44.785 45.100 -0.076 0.000 0.826 67 G HN 0.206 nan 8.290 nan 0.000 0.582 68 A N 0.014 122.808 122.820 -0.043 0.000 1.972 68 A HA 0.301 4.621 4.320 0.001 0.000 0.219 68 A C 2.592 180.160 177.584 -0.027 0.000 1.169 68 A CA 2.537 54.556 52.037 -0.030 0.000 0.635 68 A CB -0.489 18.503 19.000 -0.014 0.000 0.810 68 A HN 2.370 nan 8.150 nan 0.000 0.446 69 G N -0.882 107.902 108.800 -0.026 0.000 3.189 69 G HA2 0.414 4.374 3.960 0.001 0.000 0.225 69 G HA3 0.414 4.374 3.960 0.001 0.000 0.225 69 G C 0.747 175.642 174.900 -0.007 0.000 1.159 69 G CA 0.554 45.645 45.100 -0.014 0.000 0.763 69 G HN 0.713 nan 8.290 nan 0.000 0.549 70 G N -0.254 108.528 108.800 -0.029 0.000 2.570 70 G HA2 0.432 4.392 3.960 0.001 0.000 0.276 70 G HA3 0.432 4.392 3.960 0.001 0.000 0.276 70 G C -0.968 173.959 174.900 0.045 0.000 1.346 70 G CA -0.530 44.556 45.100 -0.023 0.000 1.034 70 G HN 0.420 nan 8.290 nan 0.000 0.512 71 F N -1.226 118.620 119.950 -0.173 0.000 2.623 71 F HA 0.543 5.071 4.527 0.001 0.000 0.323 71 F C -1.713 174.025 175.800 -0.103 0.000 1.158 71 F CA -1.507 56.413 58.000 -0.133 0.000 1.030 71 F CB 1.193 40.163 39.000 -0.051 0.000 1.280 71 F HN 0.285 nan 8.300 nan 0.000 0.474 72 F N 6.106 125.648 119.950 -0.679 0.000 2.472 72 F HA 0.350 4.878 4.527 0.001 0.000 0.364 72 F C 1.430 176.605 175.800 -1.042 0.000 1.090 72 F CA -0.298 57.349 58.000 -0.589 0.000 1.188 72 F CB 1.235 40.014 39.000 -0.367 0.000 1.105 72 F HN 0.544 nan 8.300 nan 0.000 0.536 73 K N 2.017 122.223 120.400 -0.323 0.000 2.362 73 K HA -0.051 4.270 4.320 0.001 0.000 0.200 73 K C 1.695 178.219 176.600 -0.126 0.000 1.046 73 K CA 0.992 57.186 56.287 -0.155 0.000 0.952 73 K CB 0.051 32.593 32.500 0.072 0.000 0.753 73 K HN 0.874 nan 8.250 nan 0.000 0.466 74 G N 1.139 109.846 108.800 -0.154 0.000 2.598 74 G HA2 0.001 3.961 3.960 0.001 0.000 0.225 74 G HA3 0.001 3.961 3.960 0.001 0.000 0.225 74 G C 1.370 176.173 174.900 -0.162 0.000 1.631 74 G CA -0.288 44.730 45.100 -0.137 0.000 0.821 74 G HN -0.009 nan 8.290 nan 0.000 0.610 75 I N 1.811 122.257 120.570 -0.206 0.000 2.113 75 I HA -0.252 3.919 4.170 0.001 0.000 0.242 75 I C 1.973 178.028 176.117 -0.103 0.000 1.057 75 I CA 1.769 62.960 61.300 -0.182 0.000 1.314 75 I CB -0.129 37.697 38.000 -0.290 0.000 1.022 75 I HN 0.131 nan 8.210 nan 0.000 0.408 76 D N 0.578 120.897 120.400 -0.136 0.000 2.317 76 D HA 0.005 4.645 4.640 0.001 0.000 0.211 76 D C 2.053 178.361 176.300 0.013 0.000 0.966 76 D CA 1.090 55.023 54.000 -0.113 0.000 0.876 76 D CB 0.038 40.692 40.800 -0.245 0.000 0.927 76 D HN 0.396 nan 8.370 nan 0.000 0.519 77 A N 0.339 123.130 122.820 -0.048 0.000 2.167 77 A HA 0.033 4.354 4.320 0.001 0.000 0.214 77 A C 0.934 178.571 177.584 0.088 0.000 1.151 77 A CA 0.032 52.163 52.037 0.157 0.000 0.735 77 A CB -0.265 18.825 19.000 0.150 0.000 0.802 77 A HN 0.093 nan 8.150 nan 0.000 0.467 78 L N 1.317 122.567 121.223 0.045 0.000 2.418 78 L HA 0.151 4.491 4.340 0.001 0.000 0.274 78 L C -0.847 176.088 176.870 0.108 0.000 1.135 78 L CA -1.063 53.822 54.840 0.076 0.000 0.870 78 L CB 0.259 42.354 42.059 0.061 0.000 1.154 78 L HN 0.142 nan 8.230 nan 0.000 0.462 79 P HA -0.166 nan 4.420 nan 0.000 0.215 79 P C 0.208 177.558 177.300 0.084 0.000 1.157 79 P CA 1.184 64.359 63.100 0.124 0.000 0.868 79 P CB 0.274 32.068 31.700 0.157 0.000 0.788 80 L N 0.670 121.938 121.223 0.076 0.000 2.276 80 L HA 0.338 4.678 4.340 0.001 0.000 0.286 80 L C 0.891 177.777 176.870 0.028 0.000 1.061 80 L CA -0.142 54.723 54.840 0.042 0.000 0.807 80 L CB 1.273 43.348 42.059 0.027 0.000 1.177 80 L HN 0.025 nan 8.230 nan 0.000 0.429 81 T N -0.381 114.186 114.554 0.021 0.000 2.916 81 T HA 0.980 5.330 4.350 0.001 0.000 0.292 81 T C -0.158 174.545 174.700 0.006 0.000 1.064 81 T CA -0.510 61.595 62.100 0.007 0.000 1.011 81 T CB 2.262 71.140 68.868 0.016 0.000 1.152 81 T HN 0.771 nan 8.240 nan 0.000 0.510 82 G N -0.155 108.640 108.800 -0.008 0.000 2.548 82 G HA2 0.556 4.516 3.960 0.001 0.000 0.301 82 G HA3 0.556 4.516 3.960 0.001 0.000 0.301 82 G C -2.281 172.623 174.900 0.007 0.000 1.349 82 G CA -0.902 44.204 45.100 0.010 0.000 0.792 82 G HN 0.760 nan 8.290 nan 0.000 0.481 83 Q N -0.224 119.609 119.800 0.055 0.000 2.304 83 Q HA 0.572 4.912 4.340 0.001 0.000 0.270 83 Q C -1.204 174.925 176.000 0.215 0.000 1.035 83 Q CA -0.836 55.030 55.803 0.105 0.000 0.781 83 Q CB 2.378 31.181 28.738 0.108 0.000 1.261 83 Q HN 0.707 nan 8.270 nan 0.000 0.444 84 Y N -0.838 119.524 120.300 0.104 0.000 2.549 84 Y HA 0.859 5.410 4.550 0.001 0.000 0.339 84 Y C -0.431 175.559 175.900 0.150 0.000 1.053 84 Y CA -1.890 56.282 58.100 0.120 0.000 1.105 84 Y CB 0.370 38.899 38.460 0.115 0.000 1.258 84 Y HN 0.523 nan 8.280 nan 0.000 0.478 85 T N -0.014 114.610 114.554 0.116 0.000 2.875 85 T HA 0.473 4.823 4.350 0.001 0.000 0.284 85 T C -0.589 173.949 174.700 -0.270 0.000 0.995 85 T CA -0.315 61.757 62.100 -0.047 0.000 1.060 85 T CB 0.746 69.685 68.868 0.118 0.000 0.967 85 T HN 0.967 nan 8.240 nan 0.000 0.476 86 H N -0.988 117.977 119.070 -0.174 0.000 2.777 86 H HA 0.302 4.859 4.556 0.001 0.000 0.244 86 H C -0.399 174.830 175.328 -0.164 0.000 1.185 86 H CA -1.213 54.669 56.048 -0.278 0.000 0.945 86 H CB -1.242 28.403 29.762 -0.196 0.000 1.994 86 H HN 0.706 nan 8.280 nan 0.000 0.638 87 Y N 0.490 120.748 120.300 -0.070 0.000 2.683 87 Y HA 0.515 5.065 4.550 0.001 0.000 0.340 87 Y C 0.551 176.438 175.900 -0.022 0.000 1.245 87 Y CA -0.688 57.396 58.100 -0.027 0.000 1.485 87 Y CB 0.345 38.776 38.460 -0.047 0.000 1.328 87 Y HN 0.329 nan 8.280 nan 0.000 0.603 88 A N 4.035 126.928 122.820 0.121 0.000 2.717 88 A HA 0.820 5.141 4.320 0.001 0.000 0.262 88 A C -0.838 176.793 177.584 0.079 0.000 1.483 88 A CA -1.028 51.035 52.037 0.043 0.000 0.889 88 A CB 0.460 19.480 19.000 0.033 0.000 1.604 88 A HN 0.824 nan 8.150 nan 0.000 0.523 89 L N 0.259 121.508 121.223 0.044 0.000 2.388 89 L HA 0.356 4.697 4.340 0.001 0.000 0.264 89 L C -0.197 176.699 176.870 0.042 0.000 0.998 89 L CA -0.793 54.068 54.840 0.036 0.000 0.817 89 L CB 1.869 43.954 42.059 0.044 0.000 1.338 89 L HN 0.795 nan 8.230 nan 0.000 0.414 90 N N 2.297 120.995 118.700 -0.003 0.000 2.458 90 N HA 0.038 4.778 4.740 0.001 0.000 0.270 90 N C 0.523 176.031 175.510 -0.003 0.000 1.102 90 N CA 0.040 53.088 53.050 -0.004 0.000 0.967 90 N CB 1.624 40.090 38.487 -0.035 0.000 1.078 90 N HN 0.676 nan 8.380 nan 0.000 0.471 91 K N 4.178 124.563 120.400 -0.025 0.000 2.009 91 K HA -0.166 4.154 4.320 0.001 0.000 0.210 91 K C 1.477 178.015 176.600 -0.104 0.000 1.049 91 K CA 1.427 57.632 56.287 -0.138 0.000 0.929 91 K CB 0.128 32.382 32.500 -0.410 0.000 0.714 91 K HN 0.503 nan 8.250 nan 0.000 0.440 92 K N -0.480 119.870 120.400 -0.083 0.000 2.009 92 K HA -0.111 4.210 4.320 0.001 0.000 0.210 92 K C 1.983 178.569 176.600 -0.025 0.000 1.049 92 K CA 2.243 58.499 56.287 -0.053 0.000 0.929 92 K CB -0.108 32.365 32.500 -0.045 0.000 0.714 92 K HN 0.403 nan 8.250 nan 0.000 0.440 93 T N -2.622 111.919 114.554 -0.021 0.000 3.065 93 T HA 0.167 4.517 4.350 0.001 0.000 0.252 93 T C 1.265 175.962 174.700 -0.005 0.000 1.099 93 T CA 0.328 62.422 62.100 -0.010 0.000 1.063 93 T CB 0.493 69.352 68.868 -0.014 0.000 0.948 93 T HN 0.373 nan 8.240 nan 0.000 0.506 94 G N 1.987 110.780 108.800 -0.011 0.000 2.179 94 G HA2 -0.258 3.702 3.960 0.001 0.000 0.257 94 G HA3 -0.258 3.702 3.960 0.001 0.000 0.257 94 G C -0.013 174.877 174.900 -0.016 0.000 1.010 94 G CA 0.102 45.198 45.100 -0.008 0.000 0.736 94 G HN 0.547 nan 8.290 nan 0.000 0.513 95 K N 0.232 120.612 120.400 -0.035 0.000 2.087 95 K HA 0.429 4.749 4.320 0.001 0.000 0.255 95 K C -2.483 174.040 176.600 -0.128 0.000 0.988 95 K CA -1.901 54.345 56.287 -0.068 0.000 0.915 95 K CB 1.188 33.649 32.500 -0.065 0.000 1.043 95 K HN -0.011 nan 8.250 nan 0.000 0.457 96 P HA 0.000 nan 4.420 nan 0.000 0.271 96 P C -0.925 176.034 177.300 -0.569 0.000 1.216 96 P CA 0.040 62.915 63.100 -0.376 0.000 0.771 96 P CB 0.442 31.757 31.700 -0.643 0.000 0.864 97 D N 2.211 122.406 120.400 -0.342 0.000 2.454 97 D HA 0.115 4.756 4.640 0.001 0.000 0.225 97 D C 0.417 176.580 176.300 -0.228 0.000 1.081 97 D CA -0.503 53.340 54.000 -0.262 0.000 0.864 97 D CB 0.316 41.076 40.800 -0.066 0.000 1.040 97 D HN 0.248 nan 8.370 nan 0.000 0.517 98 Y N 1.436 121.773 120.300 0.063 0.000 2.446 98 Y HA -0.104 4.446 4.550 0.001 0.000 0.287 98 Y C 1.025 176.986 175.900 0.101 0.000 1.159 98 Y CA 0.507 58.648 58.100 0.068 0.000 1.297 98 Y CB -0.023 38.450 38.460 0.021 0.000 0.974 98 Y HN 0.137 nan 8.280 nan 0.000 0.557 99 V N 0.062 120.089 119.914 0.189 0.000 2.357 99 V HA 0.196 4.316 4.120 0.001 0.000 0.281 99 V C 0.235 176.409 176.094 0.133 0.000 1.015 99 V CA -1.047 61.359 62.300 0.176 0.000 0.827 99 V CB 1.151 33.060 31.823 0.142 0.000 1.018 99 V HN 0.022 nan 8.190 nan 0.000 0.432 100 T N 3.380 118.035 114.554 0.168 0.000 2.828 100 T HA 0.296 4.646 4.350 0.001 0.000 0.290 100 T C -0.130 174.640 174.700 0.117 0.000 1.019 100 T CA -0.213 61.963 62.100 0.127 0.000 1.031 100 T CB 0.814 69.767 68.868 0.142 0.000 1.001 100 T HN 0.947 nan 8.240 nan 0.000 0.531 101 D N 0.594 121.065 120.400 0.118 0.000 2.616 101 D HA 0.478 5.118 4.640 0.001 0.000 0.260 101 D C 1.158 177.574 176.300 0.192 0.000 1.158 101 D CA -0.284 53.828 54.000 0.186 0.000 1.085 101 D CB 0.902 41.769 40.800 0.112 0.000 1.222 101 D HN 0.522 nan 8.370 nan 0.000 0.626 102 A N -0.020 122.937 122.820 0.228 0.000 1.930 102 A HA 0.112 4.433 4.320 0.001 0.000 0.217 102 A C 2.134 179.727 177.584 0.014 0.000 1.175 102 A CA 2.424 54.560 52.037 0.165 0.000 0.627 102 A CB -1.151 17.958 19.000 0.180 0.000 0.815 102 A HN 0.673 nan 8.150 nan 0.000 0.443 103 A N 0.144 122.952 122.820 -0.021 0.000 1.835 103 A HA 0.139 4.460 4.320 0.001 0.000 0.215 103 A C 2.573 180.034 177.584 -0.205 0.000 1.199 103 A CA 2.367 54.330 52.037 -0.123 0.000 0.615 103 A CB -1.338 17.590 19.000 -0.121 0.000 0.838 103 A HN 1.120 nan 8.150 nan 0.000 0.444 104 A N 0.187 122.900 122.820 -0.179 0.000 1.883 104 A HA -0.155 4.165 4.320 0.001 0.000 0.217 104 A C 2.509 179.954 177.584 -0.231 0.000 1.186 104 A CA 2.824 54.733 52.037 -0.213 0.000 0.624 104 A CB -1.187 17.723 19.000 -0.151 0.000 0.822 104 A HN 0.934 nan 8.150 nan 0.000 0.444 105 S N 0.612 116.212 115.700 -0.168 0.000 2.359 105 S HA -0.062 4.408 4.470 0.001 0.000 0.224 105 S C 2.192 176.451 174.600 -0.569 0.000 1.035 105 S CA 1.500 59.598 58.200 -0.171 0.000 1.018 105 S CB -1.002 62.224 63.200 0.043 0.000 0.876 105 S HN 0.971 nan 8.310 nan 0.000 0.448 106 A N 2.154 124.477 122.820 -0.829 0.000 1.865 106 A HA -0.111 4.209 4.320 0.001 0.000 0.217 106 A C 2.458 179.316 177.584 -1.210 0.000 1.191 106 A CA 2.321 53.390 52.037 -1.612 0.000 0.623 106 A CB -1.865 16.666 19.000 -0.783 0.000 0.826 106 A HN 0.544 nan 8.150 nan 0.000 0.444 107 T N 0.481 114.641 114.554 -0.657 0.000 2.699 107 T HA -0.140 4.210 4.350 0.001 0.000 0.268 107 T C 2.166 176.590 174.700 -0.460 0.000 1.036 107 T CA 1.903 63.715 62.100 -0.480 0.000 1.147 107 T CB -0.618 68.037 68.868 -0.354 0.000 0.862 107 T HN 0.669 nan 8.240 nan 0.000 0.446 108 A N 1.657 124.228 122.820 -0.415 0.000 1.849 108 A HA -0.154 4.166 4.320 0.001 0.000 0.217 108 A C 2.157 179.651 177.584 -0.150 0.000 1.202 108 A CA 2.160 54.040 52.037 -0.262 0.000 0.629 108 A CB -1.294 17.594 19.000 -0.187 0.000 0.834 108 A HN 0.873 nan 8.150 nan 0.000 0.447 109 W N 1.101 122.396 121.300 -0.008 0.000 2.595 109 W HA 0.049 4.709 4.660 0.001 0.000 0.257 109 W C 1.880 178.491 176.519 0.153 0.000 1.267 109 W CA 1.312 58.720 57.345 0.105 0.000 1.300 109 W CB -0.951 28.596 29.460 0.145 0.000 1.120 109 W HN 0.365 nan 8.180 nan 0.000 0.618 110 S N -0.393 115.179 115.700 -0.214 0.000 2.470 110 S HA -0.025 4.446 4.470 0.001 0.000 0.222 110 S C 1.645 176.062 174.600 -0.306 0.000 1.024 110 S CA 1.061 59.228 58.200 -0.055 0.000 0.931 110 S CB -0.905 62.178 63.200 -0.194 0.000 0.791 110 S HN 0.376 nan 8.310 nan 0.000 0.513 111 T N -3.506 110.650 114.554 -0.664 0.000 2.971 111 T HA 0.511 4.862 4.350 0.001 0.000 0.252 111 T C 1.579 175.309 174.700 -1.617 0.000 1.022 111 T CA 0.825 62.308 62.100 -1.028 0.000 0.980 111 T CB 0.055 68.634 68.868 -0.481 0.000 1.044 111 T HN 1.224 nan 8.240 nan 0.000 0.501 112 G N 0.708 108.835 108.800 -1.122 0.000 2.159 112 G HA2 -0.162 3.798 3.960 0.001 0.000 0.256 112 G HA3 -0.162 3.798 3.960 0.001 0.000 0.256 112 G C 0.054 174.885 174.900 -0.114 0.000 0.977 112 G CA 0.154 44.974 45.100 -0.466 0.000 0.652 112 G HN 1.271 nan 8.290 nan 0.000 0.531 113 V N 0.377 120.116 119.914 -0.292 0.000 2.656 113 V HA 0.720 4.841 4.120 0.001 0.000 0.307 113 V C 0.100 176.067 176.094 -0.213 0.000 1.051 113 V CA -1.298 60.853 62.300 -0.248 0.000 0.893 113 V CB 1.634 33.190 31.823 -0.445 0.000 0.999 113 V HN 0.172 nan 8.190 nan 0.000 0.426 114 K N 3.014 123.322 120.400 -0.152 0.000 2.258 114 K HA 0.477 4.798 4.320 0.001 0.000 0.264 114 K C -0.087 176.439 176.600 -0.123 0.000 1.007 114 K CA 0.098 56.302 56.287 -0.138 0.000 0.941 114 K CB 1.408 33.856 32.500 -0.088 0.000 0.966 114 K HN 0.905 nan 8.250 nan 0.000 0.480 115 T N 0.227 114.712 114.554 -0.116 0.000 2.711 115 T HA 0.403 4.753 4.350 0.001 0.000 0.302 115 T C -1.530 173.136 174.700 -0.056 0.000 1.373 115 T CA -0.757 61.286 62.100 -0.095 0.000 1.000 115 T CB 0.354 69.100 68.868 -0.203 0.000 1.483 115 T HN 0.405 nan 8.240 nan 0.000 0.499 116 Y N 0.951 121.214 120.300 -0.062 0.000 2.307 116 Y HA 0.671 5.221 4.550 0.001 0.000 0.324 116 Y C 0.415 176.293 175.900 -0.035 0.000 1.238 116 Y CA -1.360 56.714 58.100 -0.044 0.000 1.280 116 Y CB -0.045 38.393 38.460 -0.037 0.000 1.248 116 Y HN 0.368 nan 8.280 nan 0.000 0.508 117 N N 1.543 120.270 118.700 0.044 0.000 2.411 117 N HA 0.264 5.005 4.740 0.001 0.000 0.261 117 N C 1.025 176.520 175.510 -0.025 0.000 1.248 117 N CA 1.446 54.492 53.050 -0.007 0.000 0.885 117 N CB 0.672 39.189 38.487 0.050 0.000 1.062 117 N HN 1.104 nan 8.380 nan 0.000 0.471 118 G N -0.024 108.712 108.800 -0.106 0.000 2.195 118 G HA2 -0.166 3.794 3.960 0.001 0.000 0.224 118 G HA3 -0.166 3.794 3.960 0.001 0.000 0.224 118 G C 0.147 174.935 174.900 -0.186 0.000 0.990 118 G CA 0.092 45.147 45.100 -0.076 0.000 0.639 118 G HN 0.884 nan 8.290 nan 0.000 0.514 119 A N 0.096 122.641 122.820 -0.459 0.000 2.327 119 A HA 0.836 5.157 4.320 0.001 0.000 0.283 119 A C -0.110 177.285 177.584 -0.314 0.000 1.127 119 A CA -0.151 51.579 52.037 -0.510 0.000 0.810 119 A CB 0.669 19.037 19.000 -1.052 0.000 1.066 119 A HN 0.920 nan 8.150 nan 0.000 0.492 120 L N 2.004 123.096 121.223 -0.218 0.000 2.377 120 L HA 0.577 4.917 4.340 0.001 0.000 0.270 120 L C 1.021 177.760 176.870 -0.218 0.000 0.991 120 L CA 0.282 54.990 54.840 -0.220 0.000 0.851 120 L CB 1.578 43.524 42.059 -0.190 0.000 1.218 120 L HN 1.224 nan 8.230 nan 0.000 0.420 121 G N 2.320 110.978 108.800 -0.238 0.000 2.159 121 G HA2 -0.216 3.744 3.960 0.001 0.000 0.256 121 G HA3 -0.216 3.744 3.960 0.001 0.000 0.256 121 G C -0.026 174.946 174.900 0.119 0.000 0.977 121 G CA 0.235 45.238 45.100 -0.161 0.000 0.652 121 G HN 0.719 nan 8.290 nan 0.000 0.531 122 V N -1.278 118.656 119.914 0.034 0.000 2.769 122 V HA 0.840 4.961 4.120 0.001 0.000 0.312 122 V C 0.164 176.319 176.094 0.102 0.000 1.061 122 V CA -0.409 61.955 62.300 0.105 0.000 0.931 122 V CB 2.008 33.885 31.823 0.090 0.000 1.010 122 V HN 0.409 nan 8.190 nan 0.000 0.433 123 D N 3.421 123.957 120.400 0.225 0.000 2.433 123 D HA 0.181 4.822 4.640 0.001 0.000 0.255 123 D C 1.472 177.838 176.300 0.110 0.000 1.226 123 D CA -0.149 53.917 54.000 0.110 0.000 1.015 123 D CB 0.661 41.555 40.800 0.156 0.000 1.091 123 D HN 0.803 nan 8.370 nan 0.000 0.527 124 I N -2.775 117.801 120.570 0.010 0.000 2.700 124 I HA -0.197 3.974 4.170 0.001 0.000 0.261 124 I C 0.920 177.048 176.117 0.018 0.000 1.219 124 I CA 1.046 62.397 61.300 0.084 0.000 1.463 124 I CB -0.607 37.360 38.000 -0.055 0.000 1.092 124 I HN 0.197 nan 8.210 nan 0.000 0.452 125 H N 2.064 121.205 119.070 0.117 0.000 2.547 125 H HA 0.151 4.708 4.556 0.001 0.000 0.266 125 H C 0.521 175.888 175.328 0.065 0.000 0.988 125 H CA 0.373 56.461 56.048 0.066 0.000 1.147 125 H CB -0.329 29.469 29.762 0.059 0.000 1.365 125 H HN 0.560 nan 8.280 nan 0.000 0.589 126 E N -0.251 120.069 120.200 0.200 0.000 3.286 126 E HA -0.168 4.182 4.350 0.001 0.000 0.292 126 E C -0.296 176.361 176.600 0.095 0.000 0.928 126 E CA 0.373 56.869 56.400 0.160 0.000 0.982 126 E CB -0.617 29.155 29.700 0.120 0.000 1.500 126 E HN 0.304 nan 8.360 nan 0.000 0.441 127 K N 1.704 122.158 120.400 0.090 0.000 2.218 127 K HA 0.229 4.550 4.320 0.001 0.000 0.276 127 K C -0.047 176.433 176.600 -0.200 0.000 1.022 127 K CA -0.343 55.917 56.287 -0.046 0.000 0.946 127 K CB 0.701 33.176 32.500 -0.042 0.000 1.000 127 K HN -0.018 nan 8.250 nan 0.000 0.468 128 D N 1.673 121.914 120.400 -0.265 0.000 2.362 128 D HA 0.147 4.788 4.640 0.001 0.000 0.242 128 D C -0.112 175.824 176.300 -0.605 0.000 1.132 128 D CA 0.501 54.318 54.000 -0.304 0.000 0.907 128 D CB 0.492 41.086 40.800 -0.342 0.000 1.195 128 D HN 0.261 nan 8.370 nan 0.000 0.429 129 H N 0.573 119.628 119.070 -0.025 0.000 2.865 129 H HA 0.298 4.855 4.556 0.001 0.000 0.362 129 H C -2.376 172.962 175.328 0.016 0.000 1.114 129 H CA -1.469 54.554 56.048 -0.041 0.000 1.208 129 H CB 2.025 31.738 29.762 -0.082 0.000 1.727 129 H HN 0.243 nan 8.280 nan 0.000 0.534 130 P HA 0.012 nan 4.420 nan 0.000 0.271 130 P C 0.197 177.521 177.300 0.041 0.000 1.218 130 P CA -0.220 62.926 63.100 0.076 0.000 0.780 130 P CB 0.921 32.644 31.700 0.037 0.000 0.901 131 T N -0.584 113.999 114.554 0.049 0.000 2.918 131 T HA 0.205 4.556 4.350 0.001 0.000 0.283 131 T C 1.289 175.982 174.700 -0.011 0.000 1.001 131 T CA -0.691 61.391 62.100 -0.030 0.000 1.041 131 T CB 0.594 69.421 68.868 -0.069 0.000 1.028 131 T HN 0.197 nan 8.240 nan 0.000 0.511 132 I N 1.666 122.240 120.570 0.007 0.000 2.335 132 I HA -0.072 4.098 4.170 0.001 0.000 0.251 132 I C 2.025 177.905 176.117 -0.394 0.000 1.129 132 I CA 1.229 62.471 61.300 -0.098 0.000 1.402 132 I CB -0.424 37.505 38.000 -0.118 0.000 1.069 132 I HN 0.799 nan 8.210 nan 0.000 0.424 133 L N -0.048 120.932 121.223 -0.406 0.000 2.005 133 L HA -0.222 4.119 4.340 0.001 0.000 0.207 133 L C 2.416 179.205 176.870 -0.136 0.000 1.072 133 L CA 1.633 56.253 54.840 -0.366 0.000 0.744 133 L CB -0.512 41.466 42.059 -0.136 0.000 0.895 133 L HN 0.250 nan 8.230 nan 0.000 0.433 134 E N -0.133 120.032 120.200 -0.058 0.000 2.049 134 E HA -0.321 4.029 4.350 0.001 0.000 0.198 134 E C 2.202 178.795 176.600 -0.012 0.000 1.007 134 E CA 2.126 58.524 56.400 -0.003 0.000 0.809 134 E CB -0.308 29.412 29.700 0.034 0.000 0.749 134 E HN 0.542 nan 8.360 nan 0.000 0.450 135 M N 0.537 120.124 119.600 -0.022 0.000 2.082 135 M HA -0.245 4.235 4.480 0.001 0.000 0.258 135 M C 2.587 178.871 176.300 -0.027 0.000 1.069 135 M CA 1.654 56.945 55.300 -0.015 0.000 1.102 135 M CB -0.534 32.061 32.600 -0.010 0.000 1.336 135 M HN 0.176 nan 8.290 nan 0.000 0.404 136 A N 0.618 123.401 122.820 -0.061 0.000 1.865 136 A HA -0.243 4.077 4.320 0.001 0.000 0.217 136 A C 2.142 179.739 177.584 0.021 0.000 1.191 136 A CA 2.282 54.305 52.037 -0.025 0.000 0.623 136 A CB -0.797 18.177 19.000 -0.042 0.000 0.826 136 A HN 0.471 nan 8.150 nan 0.000 0.444 137 K N -0.368 120.047 120.400 0.025 0.000 2.074 137 K HA -0.177 4.144 4.320 0.001 0.000 0.209 137 K C 2.074 178.694 176.600 0.034 0.000 1.048 137 K CA 1.659 57.972 56.287 0.044 0.000 0.926 137 K CB -0.376 32.151 32.500 0.045 0.000 0.713 137 K HN 0.395 nan 8.250 nan 0.000 0.444 138 A N 0.774 123.607 122.820 0.022 0.000 1.873 138 A HA -0.041 4.280 4.320 0.001 0.000 0.215 138 A C 2.303 179.899 177.584 0.020 0.000 1.186 138 A CA 1.712 53.761 52.037 0.020 0.000 0.616 138 A CB -0.925 18.084 19.000 0.015 0.000 0.823 138 A HN 0.475 nan 8.150 nan 0.000 0.442 139 A N -1.770 121.060 122.820 0.017 0.000 2.234 139 A HA 0.305 4.626 4.320 0.001 0.000 0.216 139 A C 1.931 179.531 177.584 0.026 0.000 1.167 139 A CA 1.581 53.629 52.037 0.017 0.000 0.698 139 A CB -1.109 17.896 19.000 0.010 0.000 0.779 139 A HN 2.012 nan 8.150 nan 0.000 0.475 140 G N -2.134 106.687 108.800 0.034 0.000 2.157 140 G HA2 -0.193 3.767 3.960 0.001 0.000 0.239 140 G HA3 -0.193 3.767 3.960 0.001 0.000 0.239 140 G C 0.063 174.998 174.900 0.058 0.000 0.982 140 G CA 0.156 45.281 45.100 0.041 0.000 0.650 140 G HN 0.473 nan 8.290 nan 0.000 0.527 141 L N 0.741 122.005 121.223 0.068 0.000 2.418 141 L HA 0.696 5.036 4.340 0.001 0.000 0.265 141 L C 1.171 178.122 176.870 0.134 0.000 1.143 141 L CA -0.367 54.534 54.840 0.102 0.000 0.809 141 L CB 1.111 43.233 42.059 0.105 0.000 1.124 141 L HN 0.289 nan 8.230 nan 0.000 0.456 142 A N 1.440 124.370 122.820 0.183 0.000 2.371 142 A HA 0.565 4.885 4.320 0.001 0.000 0.257 142 A C 0.162 177.893 177.584 0.245 0.000 1.089 142 A CA -0.217 51.932 52.037 0.187 0.000 0.794 142 A CB 0.284 19.397 19.000 0.188 0.000 1.029 142 A HN 0.763 nan 8.150 nan 0.000 0.488 143 T N -0.716 113.957 114.554 0.198 0.000 2.893 143 T HA 0.777 5.127 4.350 0.001 0.000 0.291 143 T C -0.174 174.627 174.700 0.169 0.000 1.028 143 T CA -0.086 62.174 62.100 0.266 0.000 0.995 143 T CB 1.929 70.939 68.868 0.237 0.000 1.051 143 T HN 1.508 nan 8.240 nan 0.000 0.470 144 G N 0.740 109.642 108.800 0.171 0.000 2.706 144 G HA2 0.575 4.535 3.960 0.001 0.000 0.297 144 G HA3 0.575 4.535 3.960 0.001 0.000 0.297 144 G C -1.790 173.148 174.900 0.064 0.000 1.403 144 G CA -0.902 44.225 45.100 0.044 0.000 0.954 144 G HN 0.839 nan 8.290 nan 0.000 0.500 145 N N 0.607 119.336 118.700 0.048 0.000 2.549 145 N HA 0.505 5.246 4.740 0.001 0.000 0.290 145 N C -1.340 174.184 175.510 0.024 0.000 1.122 145 N CA -0.300 52.788 53.050 0.064 0.000 0.885 145 N CB 2.064 40.618 38.487 0.112 0.000 1.455 145 N HN 0.349 nan 8.380 nan 0.000 0.521 146 V N 1.530 121.447 119.914 0.004 0.000 2.769 146 V HA 0.894 5.015 4.120 0.001 0.000 0.312 146 V C -0.253 175.846 176.094 0.009 0.000 1.061 146 V CA -0.590 61.711 62.300 0.002 0.000 0.931 146 V CB 1.651 33.455 31.823 -0.031 0.000 1.010 146 V HN 0.771 nan 8.190 nan 0.000 0.433 147 S N 1.222 116.936 115.700 0.023 0.000 2.597 147 S HA 0.304 4.775 4.470 0.001 0.000 0.274 147 S C 0.408 175.029 174.600 0.035 0.000 1.132 147 S CA 0.213 58.426 58.200 0.021 0.000 0.835 147 S CB 1.823 65.043 63.200 0.032 0.000 1.092 147 S HN 1.090 nan 8.310 nan 0.000 0.457 148 T N 0.543 115.109 114.554 0.020 0.000 3.081 148 T HA 0.561 4.911 4.350 0.001 0.000 0.250 148 T C 0.898 175.622 174.700 0.041 0.000 1.100 148 T CA 0.557 62.672 62.100 0.024 0.000 1.038 148 T CB -0.110 68.754 68.868 -0.008 0.000 0.962 148 T HN 1.041 nan 8.240 nan 0.000 0.516 149 A N 2.069 124.916 122.820 0.045 0.000 2.239 149 A HA 0.546 4.866 4.320 0.001 0.000 0.303 149 A C 0.292 177.911 177.584 0.057 0.000 1.114 149 A CA -0.964 51.106 52.037 0.056 0.000 0.871 149 A CB 0.422 19.460 19.000 0.062 0.000 1.201 149 A HN 0.600 nan 8.150 nan 0.000 0.506 150 E N 0.156 120.398 120.200 0.069 0.000 2.414 150 E HA 0.090 4.441 4.350 0.001 0.000 0.263 150 E C -0.107 176.497 176.600 0.006 0.000 1.000 150 E CA -0.291 56.147 56.400 0.063 0.000 0.914 150 E CB 0.330 30.102 29.700 0.119 0.000 0.948 150 E HN 0.512 nan 8.360 nan 0.000 0.444 151 L N 1.747 122.970 121.223 -0.000 0.000 2.447 151 L HA -0.233 4.107 4.340 0.001 0.000 0.225 151 L C 2.044 178.833 176.870 -0.134 0.000 1.148 151 L CA 1.166 55.987 54.840 -0.032 0.000 0.808 151 L CB -0.413 41.652 42.059 0.010 0.000 0.928 151 L HN 0.544 nan 8.230 nan 0.000 0.448 152 Q N -0.931 118.708 119.800 -0.269 0.000 2.302 152 Q HA -0.013 4.327 4.340 0.001 0.000 0.202 152 Q C 0.594 176.263 176.000 -0.550 0.000 0.936 152 Q CA 0.237 55.671 55.803 -0.616 0.000 0.886 152 Q CB 0.000 27.937 28.738 -1.336 0.000 0.986 152 Q HN 0.277 nan 8.270 nan 0.000 0.487 153 D N -0.478 119.772 120.400 -0.250 0.000 2.449 153 D HA 0.068 4.708 4.640 0.001 0.000 0.236 153 D C 0.941 177.213 176.300 -0.046 0.000 1.149 153 D CA 0.630 54.608 54.000 -0.038 0.000 0.878 153 D CB 0.809 41.649 40.800 0.068 0.000 1.198 153 D HN 0.161 nan 8.370 nan 0.000 0.446 154 A N 2.814 125.634 122.820 0.001 0.000 1.873 154 A HA -0.329 3.992 4.320 0.001 0.000 0.219 154 A C 2.169 179.733 177.584 -0.034 0.000 1.269 154 A CA 3.102 55.123 52.037 -0.026 0.000 0.671 154 A CB -1.496 17.503 19.000 -0.001 0.000 0.842 154 A HN 0.754 nan 8.150 nan 0.000 0.460 155 T N 0.576 115.150 114.554 0.032 0.000 2.624 155 T HA -0.145 4.206 4.350 0.001 0.000 0.268 155 T C -0.096 174.659 174.700 0.093 0.000 1.041 155 T CA 2.069 64.228 62.100 0.099 0.000 1.159 155 T CB -1.399 67.580 68.868 0.184 0.000 0.863 155 T HN 0.622 nan 8.240 nan 0.000 0.434 156 P HA 0.160 nan 4.420 nan 0.000 0.219 156 P C 1.523 178.819 177.300 -0.008 0.000 1.154 156 P CA 1.215 64.343 63.100 0.047 0.000 0.826 156 P CB -0.209 31.507 31.700 0.027 0.000 0.795 157 A N 0.965 123.744 122.820 -0.067 0.000 2.024 157 A HA -0.070 4.250 4.320 0.001 0.000 0.220 157 A C 2.426 179.923 177.584 -0.145 0.000 1.164 157 A CA 1.907 53.872 52.037 -0.119 0.000 0.643 157 A CB -1.561 17.337 19.000 -0.170 0.000 0.806 157 A HN 0.219 nan 8.150 nan 0.000 0.451 158 A N -0.899 121.833 122.820 -0.147 0.000 2.131 158 A HA 0.052 4.373 4.320 0.001 0.000 0.220 158 A C 1.665 179.119 177.584 -0.217 0.000 1.158 158 A CA 1.453 53.357 52.037 -0.222 0.000 0.665 158 A CB -0.388 18.443 19.000 -0.280 0.000 0.795 158 A HN 0.427 nan 8.150 nan 0.000 0.460 159 L N -1.155 120.000 121.223 -0.112 0.000 2.592 159 L HA 0.079 4.420 4.340 0.001 0.000 0.227 159 L C 1.580 178.398 176.870 -0.086 0.000 1.127 159 L CA 0.922 55.720 54.840 -0.070 0.000 0.884 159 L CB 0.644 42.744 42.059 0.067 0.000 1.065 159 L HN 0.375 nan 8.230 nan 0.000 0.457 160 V N -5.838 113.999 119.914 -0.129 0.000 3.359 160 V HA 0.639 4.760 4.120 0.001 0.000 0.270 160 V C 0.608 176.633 176.094 -0.115 0.000 1.583 160 V CA 0.090 62.341 62.300 -0.081 0.000 1.019 160 V CB -0.037 31.768 31.823 -0.028 0.000 0.831 160 V HN 0.009 nan 8.190 nan 0.000 0.426 161 A N 0.428 123.105 122.820 -0.239 0.000 2.340 161 A HA 0.855 5.175 4.320 0.001 0.000 0.331 161 A C -0.814 176.509 177.584 -0.435 0.000 1.140 161 A CA -0.464 51.450 52.037 -0.204 0.000 0.801 161 A CB 0.763 19.676 19.000 -0.146 0.000 1.234 161 A HN 0.558 nan 8.150 nan 0.000 0.469 162 H N 1.388 120.424 119.070 -0.057 0.000 2.991 162 H HA 0.493 5.049 4.556 0.001 0.000 0.304 162 H C -0.927 174.377 175.328 -0.040 0.000 1.040 162 H CA -0.268 55.747 56.048 -0.055 0.000 1.410 162 H CB 1.215 30.947 29.762 -0.050 0.000 1.529 162 H HN 0.666 nan 8.280 nan 0.000 0.509 163 V N -0.094 119.835 119.914 0.024 0.000 3.114 163 V HA 0.367 4.488 4.120 0.001 0.000 0.308 163 V C 1.225 177.337 176.094 0.031 0.000 1.168 163 V CA -0.655 61.661 62.300 0.027 0.000 1.015 163 V CB 1.787 33.613 31.823 0.005 0.000 1.050 163 V HN 0.679 nan 8.190 nan 0.000 0.433 164 T N -1.772 112.824 114.554 0.069 0.000 2.985 164 T HA 0.136 4.486 4.350 0.001 0.000 0.266 164 T C 0.864 175.649 174.700 0.142 0.000 1.076 164 T CA 1.156 63.340 62.100 0.140 0.000 1.135 164 T CB -0.017 68.931 68.868 0.134 0.000 0.890 164 T HN 1.280 nan 8.240 nan 0.000 0.480 165 S N 0.229 115.974 115.700 0.076 0.000 2.570 165 S HA 0.470 4.941 4.470 0.001 0.000 0.286 165 S C 0.902 175.523 174.600 0.035 0.000 1.099 165 S CA -1.047 57.192 58.200 0.065 0.000 0.913 165 S CB 1.747 64.990 63.200 0.070 0.000 1.085 165 S HN 0.479 nan 8.310 nan 0.000 0.480 166 R N 1.927 122.448 120.500 0.034 0.000 2.200 166 R HA 0.164 4.505 4.340 0.001 0.000 0.208 166 R C 1.027 177.430 176.300 0.172 0.000 1.033 166 R CA 0.565 56.702 56.100 0.061 0.000 1.000 166 R CB -0.411 29.916 30.300 0.045 0.000 0.906 166 R HN 0.517 nan 8.270 nan 0.000 0.462 167 K N 0.717 121.190 120.400 0.121 0.000 2.574 167 K HA 0.032 4.353 4.320 0.001 0.000 0.193 167 K C 0.256 176.951 176.600 0.159 0.000 1.035 167 K CA 0.393 56.739 56.287 0.098 0.000 0.982 167 K CB 0.023 32.517 32.500 -0.010 0.000 0.795 167 K HN 0.142 nan 8.250 nan 0.000 0.491 168 c N 2.333 121.034 118.600 0.169 0.000 3.093 168 c HA 0.140 4.710 4.570 0.001 0.000 0.515 168 c C 1.279 175.461 174.090 0.153 0.000 1.253 168 c CA -0.994 55.408 56.329 0.122 0.000 1.476 168 c CB -2.336 40.208 42.510 0.058 0.000 1.873 168 c HN 0.352 nan 8.230 nan 0.000 0.632 169 Y N 1.938 122.202 120.300 -0.060 0.000 1.978 169 Y HA -0.033 4.518 4.550 0.001 0.000 0.247 169 Y C 2.006 177.836 175.900 -0.117 0.000 1.102 169 Y CA 2.169 60.218 58.100 -0.085 0.000 1.069 169 Y CB -1.022 37.392 38.460 -0.077 0.000 0.954 169 Y HN 0.458 nan 8.280 nan 0.000 0.488 170 G N -2.762 106.080 108.800 0.070 0.000 3.119 170 G HA2 0.353 4.314 3.960 0.001 0.000 0.206 170 G HA3 0.353 4.314 3.960 0.001 0.000 0.206 170 G C -2.031 172.857 174.900 -0.020 0.000 1.313 170 G CA -0.763 44.307 45.100 -0.050 0.000 1.010 170 G HN -0.008 nan 8.290 nan 0.000 0.578 171 P HA -0.223 nan 4.420 nan 0.000 0.206 171 P C 2.505 179.804 177.300 -0.003 0.000 1.142 171 P CA 3.200 66.293 63.100 -0.012 0.000 0.946 171 P CB -0.169 31.524 31.700 -0.012 0.000 0.777 172 S N -0.232 115.465 115.700 -0.004 0.000 2.380 172 S HA -0.311 4.160 4.470 0.001 0.000 0.229 172 S C 2.136 176.733 174.600 -0.005 0.000 1.050 172 S CA 1.972 60.169 58.200 -0.005 0.000 1.100 172 S CB -1.853 61.341 63.200 -0.010 0.000 0.984 172 S HN 0.238 nan 8.310 nan 0.000 0.434 173 A N 1.729 124.546 122.820 -0.005 0.000 1.902 173 A HA -0.046 4.275 4.320 0.001 0.000 0.217 173 A C 2.465 180.054 177.584 0.008 0.000 1.181 173 A CA 2.126 54.159 52.037 -0.006 0.000 0.623 173 A CB -1.693 17.300 19.000 -0.012 0.000 0.818 173 A HN 0.591 nan 8.150 nan 0.000 0.443 174 T N 0.132 114.696 114.554 0.016 0.000 2.720 174 T HA -0.122 4.228 4.350 0.001 0.000 0.268 174 T C 2.238 176.945 174.700 0.012 0.000 1.037 174 T CA 1.701 63.812 62.100 0.018 0.000 1.144 174 T CB -0.334 68.542 68.868 0.014 0.000 0.864 174 T HN 0.487 nan 8.240 nan 0.000 0.444 175 S N 1.645 117.350 115.700 0.007 0.000 2.370 175 S HA -0.135 4.336 4.470 0.001 0.000 0.226 175 S C 1.655 176.258 174.600 0.004 0.000 1.033 175 S CA 1.354 59.557 58.200 0.006 0.000 1.011 175 S CB -0.270 62.932 63.200 0.004 0.000 0.852 175 S HN 0.840 nan 8.310 nan 0.000 0.457 176 E N -0.066 120.135 120.200 0.002 0.000 2.423 176 E HA 0.336 4.687 4.350 0.001 0.000 0.198 176 E C 0.698 177.299 176.600 0.001 0.000 1.038 176 E CA -0.085 56.314 56.400 -0.001 0.000 1.011 176 E CB 0.283 29.980 29.700 -0.005 0.000 1.118 176 E HN 0.219 nan 8.360 nan 0.000 0.451 177 K N -0.759 119.646 120.400 0.007 0.000 2.614 177 K HA 0.211 4.531 4.320 0.001 0.000 0.183 177 K C -0.537 176.076 176.600 0.022 0.000 1.792 177 K CA 0.127 56.421 56.287 0.012 0.000 1.211 177 K CB 1.169 33.676 32.500 0.012 0.000 1.735 177 K HN 0.135 nan 8.250 nan 0.000 0.587 178 c N 2.251 120.864 118.600 0.022 0.000 3.359 178 c HA 0.289 4.859 4.570 0.001 0.000 0.194 178 c C -2.006 172.097 174.090 0.021 0.000 1.659 178 c CA -1.220 55.126 56.329 0.028 0.000 1.338 178 c CB 0.349 42.879 42.510 0.033 0.000 2.109 178 c HN 0.222 nan 8.230 nan 0.000 0.518 179 P HA -0.148 nan 4.420 nan 0.000 0.216 179 P C 1.798 179.105 177.300 0.012 0.000 1.157 179 P CA 2.093 65.199 63.100 0.011 0.000 0.880 179 P CB 0.110 31.814 31.700 0.007 0.000 0.791 180 G N -1.414 107.394 108.800 0.014 0.000 2.479 180 G HA2 -0.256 3.705 3.960 0.001 0.000 0.220 180 G HA3 -0.256 3.705 3.960 0.001 0.000 0.220 180 G C 1.241 176.150 174.900 0.014 0.000 1.115 180 G CA 1.037 46.144 45.100 0.013 0.000 0.757 180 G HN 0.364 nan 8.290 nan 0.000 0.560 181 N N 0.192 118.903 118.700 0.019 0.000 2.432 181 N HA 0.295 5.035 4.740 0.001 0.000 0.174 181 N C 1.227 176.748 175.510 0.017 0.000 1.037 181 N CA 0.162 53.224 53.050 0.020 0.000 0.892 181 N CB 0.144 38.647 38.487 0.027 0.000 1.049 181 N HN 0.274 nan 8.380 nan 0.000 0.442 182 A N 1.161 123.990 122.820 0.015 0.000 2.608 182 A HA -0.108 4.212 4.320 0.001 0.000 0.239 182 A C 1.257 178.850 177.584 0.016 0.000 1.018 182 A CA 0.060 52.105 52.037 0.014 0.000 0.766 182 A CB -0.015 18.992 19.000 0.011 0.000 0.928 182 A HN 0.323 nan 8.150 nan 0.000 0.512 183 L N 2.051 123.286 121.223 0.020 0.000 1.989 183 L HA -0.178 4.162 4.340 0.001 0.000 0.211 183 L C 2.747 179.630 176.870 0.021 0.000 1.071 183 L CA 2.769 57.624 54.840 0.026 0.000 0.749 183 L CB -0.616 41.466 42.059 0.039 0.000 0.890 183 L HN 0.923 nan 8.230 nan 0.000 0.431 184 E N 0.168 120.379 120.200 0.018 0.000 2.118 184 E HA -0.299 4.051 4.350 0.001 0.000 0.195 184 E C 1.747 178.352 176.600 0.008 0.000 0.992 184 E CA 1.654 58.061 56.400 0.013 0.000 0.804 184 E CB -0.617 29.090 29.700 0.011 0.000 0.741 184 E HN 0.501 nan 8.360 nan 0.000 0.458 185 K N 0.064 120.469 120.400 0.008 0.000 2.569 185 K HA 0.144 4.464 4.320 0.001 0.000 0.193 185 K C 0.886 177.489 176.600 0.005 0.000 1.026 185 K CA 0.506 56.796 56.287 0.005 0.000 1.093 185 K CB -0.013 32.490 32.500 0.005 0.000 0.849 185 K HN 0.425 nan 8.250 nan 0.000 0.509 186 G N 0.070 108.874 108.800 0.006 0.000 2.175 186 G HA2 -0.240 3.720 3.960 0.001 0.000 0.244 186 G HA3 -0.240 3.720 3.960 0.001 0.000 0.244 186 G C 0.437 175.341 174.900 0.006 0.000 0.982 186 G CA -0.209 44.894 45.100 0.004 0.000 0.641 186 G HN 0.525 nan 8.290 nan 0.000 0.527 187 G N -0.731 108.075 108.800 0.009 0.000 2.557 187 G HA2 0.535 4.496 3.960 0.001 0.000 0.292 187 G HA3 0.535 4.496 3.960 0.001 0.000 0.292 187 G C 0.837 175.747 174.900 0.016 0.000 1.237 187 G CA 0.319 45.424 45.100 0.010 0.000 0.978 187 G HN 0.277 nan 8.290 nan 0.000 0.498 188 K N -0.662 119.747 120.400 0.016 0.000 2.148 188 K HA 0.249 4.569 4.320 0.001 0.000 0.204 188 K C 1.275 177.894 176.600 0.031 0.000 1.050 188 K CA 1.235 57.536 56.287 0.024 0.000 0.942 188 K CB -0.108 32.406 32.500 0.023 0.000 0.724 188 K HN 0.978 nan 8.250 nan 0.000 0.446 189 G N -0.162 108.653 108.800 0.024 0.000 2.384 189 G HA2 -0.149 3.811 3.960 0.001 0.000 0.668 189 G HA3 -0.149 3.811 3.960 0.001 0.000 0.668 189 G C -0.623 174.279 174.900 0.003 0.000 1.280 189 G CA -0.514 44.595 45.100 0.016 0.000 0.992 189 G HN 0.207 nan 8.290 nan 0.000 0.512 190 S N -0.926 114.766 115.700 -0.014 0.000 2.587 190 S HA 0.455 4.925 4.470 0.001 0.000 0.260 190 S C 1.786 176.348 174.600 -0.064 0.000 1.353 190 S CA 0.291 58.472 58.200 -0.032 0.000 0.995 190 S CB 0.812 63.985 63.200 -0.045 0.000 0.912 190 S HN 0.909 nan 8.310 nan 0.000 0.568 191 I N 1.061 121.577 120.570 -0.091 0.000 2.142 191 I HA -0.198 3.972 4.170 0.001 0.000 0.240 191 I C 2.788 178.797 176.117 -0.180 0.000 1.078 191 I CA 1.734 62.950 61.300 -0.141 0.000 1.343 191 I CB -1.050 36.822 38.000 -0.213 0.000 1.046 191 I HN 0.761 nan 8.210 nan 0.000 0.405 192 T N 0.159 114.563 114.554 -0.249 0.000 2.607 192 T HA -0.236 4.115 4.350 0.001 0.000 0.267 192 T C 1.753 176.299 174.700 -0.256 0.000 1.049 192 T CA 1.706 63.590 62.100 -0.360 0.000 1.162 192 T CB -0.414 68.107 68.868 -0.577 0.000 0.863 192 T HN 0.406 nan 8.240 nan 0.000 0.424 193 E N 1.045 121.131 120.200 -0.190 0.000 2.049 193 E HA -0.219 4.131 4.350 0.001 0.000 0.198 193 E C 2.564 179.123 176.600 -0.069 0.000 1.007 193 E CA 1.314 57.646 56.400 -0.113 0.000 0.809 193 E CB -0.229 29.439 29.700 -0.055 0.000 0.749 193 E HN 0.562 nan 8.360 nan 0.000 0.450 194 Q N 0.352 120.122 119.800 -0.050 0.000 2.181 194 Q HA -0.180 4.161 4.340 0.001 0.000 0.205 194 Q C 2.390 178.379 176.000 -0.018 0.000 0.980 194 Q CA 0.895 56.692 55.803 -0.011 0.000 0.862 194 Q CB -0.160 28.580 28.738 0.003 0.000 0.905 194 Q HN 0.347 nan 8.270 nan 0.000 0.429 195 L N 0.254 121.440 121.223 -0.061 0.000 2.027 195 L HA -0.168 4.172 4.340 0.001 0.000 0.206 195 L C 2.065 178.914 176.870 -0.034 0.000 1.074 195 L CA 1.058 55.867 54.840 -0.051 0.000 0.745 195 L CB -0.128 41.884 42.059 -0.079 0.000 0.898 195 L HN 0.207 nan 8.230 nan 0.000 0.433 196 L N 0.272 121.453 121.223 -0.072 0.000 2.191 196 L HA -0.211 4.130 4.340 0.001 0.000 0.212 196 L C 2.150 179.067 176.870 0.079 0.000 1.103 196 L CA 0.825 55.629 54.840 -0.060 0.000 0.769 196 L CB -0.737 41.253 42.059 -0.114 0.000 0.908 196 L HN 0.419 nan 8.230 nan 0.000 0.438 197 N N 0.173 118.898 118.700 0.040 0.000 2.250 197 N HA -0.063 4.678 4.740 0.001 0.000 0.181 197 N C 1.953 177.516 175.510 0.088 0.000 1.017 197 N CA 1.254 54.346 53.050 0.070 0.000 0.866 197 N CB -0.265 38.261 38.487 0.065 0.000 0.985 197 N HN 0.244 nan 8.380 nan 0.000 0.429 198 A N 0.954 123.820 122.820 0.077 0.000 1.892 198 A HA -0.148 4.173 4.320 0.001 0.000 0.218 198 A C 1.025 178.671 177.584 0.104 0.000 1.188 198 A CA 1.257 53.341 52.037 0.079 0.000 0.631 198 A CB -0.533 18.502 19.000 0.058 0.000 0.822 198 A HN 0.420 nan 8.150 nan 0.000 0.447 199 R N -1.828 118.769 120.500 0.162 0.000 3.152 199 R HA -0.153 4.188 4.340 0.001 0.000 0.252 199 R C -0.070 176.319 176.300 0.147 0.000 0.930 199 R CA 0.154 56.380 56.100 0.210 0.000 0.642 199 R CB -1.863 28.510 30.300 0.121 0.000 1.205 199 R HN 0.935 nan 8.270 nan 0.000 0.452 200 A N 1.129 124.039 122.820 0.149 0.000 2.316 200 A HA 0.242 4.562 4.320 0.001 0.000 0.284 200 A C 1.091 178.748 177.584 0.122 0.000 1.115 200 A CA -0.229 51.881 52.037 0.121 0.000 0.812 200 A CB 0.461 19.532 19.000 0.117 0.000 1.064 200 A HN 0.550 nan 8.150 nan 0.000 0.489 201 D N 0.197 120.650 120.400 0.088 0.000 2.133 201 D HA -0.103 4.538 4.640 0.001 0.000 0.195 201 D C 0.188 176.518 176.300 0.050 0.000 0.997 201 D CA 1.722 55.757 54.000 0.058 0.000 0.840 201 D CB -0.088 40.734 40.800 0.037 0.000 0.947 201 D HN 0.243 nan 8.370 nan 0.000 0.452 202 V N 0.592 120.527 119.914 0.036 0.000 2.531 202 V HA 0.332 4.452 4.120 0.001 0.000 0.301 202 V C -0.387 175.718 176.094 0.018 0.000 1.034 202 V CA -0.510 61.797 62.300 0.011 0.000 0.865 202 V CB 2.192 33.991 31.823 -0.040 0.000 0.995 202 V HN -0.092 nan 8.190 nan 0.000 0.424 203 T N 6.361 120.918 114.554 0.005 0.000 3.078 203 T HA 0.644 4.994 4.350 0.001 0.000 0.328 203 T C -0.752 173.923 174.700 -0.043 0.000 0.987 203 T CA -0.296 61.797 62.100 -0.012 0.000 1.049 203 T CB 0.685 69.536 68.868 -0.029 0.000 1.011 203 T HN 0.364 nan 8.240 nan 0.000 0.463 204 L N 2.232 123.456 121.223 0.003 0.000 2.381 204 L HA 0.969 5.309 4.340 0.001 0.000 0.268 204 L C 0.648 177.576 176.870 0.097 0.000 0.997 204 L CA -0.536 54.338 54.840 0.057 0.000 0.818 204 L CB 2.207 44.397 42.059 0.220 0.000 1.310 204 L HN 0.873 nan 8.230 nan 0.000 0.416 205 G N 0.685 109.557 108.800 0.120 0.000 2.367 205 G HA2 0.422 4.382 3.960 0.001 0.000 0.272 205 G HA3 0.422 4.382 3.960 0.001 0.000 0.272 205 G C -0.716 174.242 174.900 0.097 0.000 1.271 205 G CA -0.084 45.102 45.100 0.143 0.000 0.893 205 G HN 0.841 nan 8.290 nan 0.000 0.485 206 G N -1.701 107.145 108.800 0.076 0.000 2.882 206 G HA2 0.604 4.565 3.960 0.001 0.000 0.164 206 G HA3 0.604 4.565 3.960 0.001 0.000 0.164 206 G C 1.193 176.119 174.900 0.043 0.000 1.429 206 G CA 0.785 45.919 45.100 0.057 0.000 1.059 206 G HN 2.438 nan 8.290 nan 0.000 0.581 207 G N -1.514 107.333 108.800 0.079 0.000 2.248 207 G HA2 0.152 4.113 3.960 0.001 0.000 0.263 207 G HA3 0.152 4.113 3.960 0.001 0.000 0.263 207 G C 1.019 176.041 174.900 0.203 0.000 1.082 207 G CA 1.022 46.201 45.100 0.132 0.000 0.863 207 G HN 1.477 nan 8.290 nan 0.000 0.495 208 A N 0.688 123.578 122.820 0.117 0.000 1.872 208 A HA 0.075 4.396 4.320 0.001 0.000 0.214 208 A C 2.441 180.152 177.584 0.211 0.000 1.187 208 A CA 2.261 54.363 52.037 0.109 0.000 0.614 208 A CB -0.299 18.699 19.000 -0.004 0.000 0.826 208 A HN 1.084 nan 8.150 nan 0.000 0.442 209 K N 0.392 120.876 120.400 0.140 0.000 2.113 209 K HA -0.168 4.153 4.320 0.001 0.000 0.208 209 K C 1.351 178.018 176.600 0.112 0.000 1.047 209 K CA 2.392 58.746 56.287 0.113 0.000 0.928 209 K CB -1.858 30.687 32.500 0.074 0.000 0.716 209 K HN 0.311 nan 8.250 nan 0.000 0.446 210 T N 0.804 115.426 114.554 0.114 0.000 3.051 210 T HA 0.020 4.370 4.350 0.001 0.000 0.269 210 T C 1.154 175.759 174.700 -0.158 0.000 1.127 210 T CA 0.780 62.875 62.100 -0.009 0.000 1.107 210 T CB -0.323 68.523 68.868 -0.036 0.000 0.898 210 T HN 0.184 nan 8.240 nan 0.000 0.517 211 F N 1.110 121.044 119.950 -0.028 0.000 2.748 211 F HA 0.314 4.842 4.527 0.001 0.000 0.299 211 F C 2.276 178.056 175.800 -0.032 0.000 1.154 211 F CA -0.162 57.807 58.000 -0.051 0.000 1.446 211 F CB -0.304 38.647 39.000 -0.082 0.000 1.112 211 F HN 0.137 nan 8.300 nan 0.000 0.584 212 A N -0.607 122.275 122.820 0.102 0.000 2.119 212 A HA -0.015 4.305 4.320 0.001 0.000 0.216 212 A C 0.966 178.569 177.584 0.032 0.000 1.152 212 A CA 0.183 52.259 52.037 0.064 0.000 0.708 212 A CB -0.513 18.518 19.000 0.051 0.000 0.805 212 A HN 0.277 nan 8.150 nan 0.000 0.460 213 E N 0.883 121.087 120.200 0.005 0.000 2.390 213 E HA 0.312 4.662 4.350 0.001 0.000 0.261 213 E C -0.025 176.576 176.600 0.001 0.000 1.076 213 E CA 0.284 56.681 56.400 -0.006 0.000 0.905 213 E CB 0.616 30.299 29.700 -0.028 0.000 0.984 213 E HN 0.430 nan 8.360 nan 0.000 0.427 214 T N -0.865 113.697 114.554 0.013 0.000 2.867 214 T HA 0.615 4.966 4.350 0.001 0.000 0.282 214 T C 0.038 174.756 174.700 0.030 0.000 1.000 214 T CA -1.135 60.983 62.100 0.029 0.000 1.042 214 T CB 1.596 70.485 68.868 0.036 0.000 0.973 214 T HN 0.481 nan 8.240 nan 0.000 0.465 215 A N 2.349 125.200 122.820 0.052 0.000 2.425 215 A HA 0.511 4.832 4.320 0.001 0.000 0.242 215 A C 1.519 179.137 177.584 0.057 0.000 1.077 215 A CA 0.044 52.118 52.037 0.062 0.000 0.781 215 A CB -0.067 19.003 19.000 0.117 0.000 1.020 215 A HN 1.133 nan 8.150 nan 0.000 0.494 216 T N -0.772 113.809 114.554 0.046 0.000 3.053 216 T HA 0.486 4.837 4.350 0.001 0.000 0.236 216 T C 1.078 175.799 174.700 0.034 0.000 0.996 216 T CA 0.874 62.995 62.100 0.034 0.000 1.185 216 T CB -0.531 68.350 68.868 0.022 0.000 0.892 216 T HN 1.191 nan 8.240 nan 0.000 0.432 217 A N 0.941 123.784 122.820 0.038 0.000 2.717 217 A HA 0.786 5.107 4.320 0.001 0.000 0.262 217 A C 1.115 178.729 177.584 0.050 0.000 1.483 217 A CA -0.078 51.978 52.037 0.031 0.000 0.889 217 A CB -0.439 18.576 19.000 0.026 0.000 1.604 217 A HN 1.713 nan 8.150 nan 0.000 0.523 218 G N -1.580 107.240 108.800 0.034 0.000 2.888 218 G HA2 -0.149 3.812 3.960 0.001 0.000 0.441 218 G HA3 -0.149 3.812 3.960 0.001 0.000 0.441 218 G C 0.516 175.384 174.900 -0.055 0.000 1.461 218 G CA 0.357 45.477 45.100 0.033 0.000 0.897 218 G HN 0.822 nan 8.290 nan 0.000 0.547 219 E N -0.548 119.517 120.200 -0.225 0.000 2.097 219 E HA -0.111 4.240 4.350 0.001 0.000 0.196 219 E C 1.641 177.928 176.600 -0.522 0.000 1.000 219 E CA 2.029 58.074 56.400 -0.592 0.000 0.804 219 E CB -0.077 28.820 29.700 -1.338 0.000 0.740 219 E HN 0.623 nan 8.360 nan 0.000 0.454 220 W N 2.391 123.700 121.300 0.016 0.000 3.269 220 W HA 0.093 4.753 4.660 0.001 0.000 0.413 220 W C 0.103 176.631 176.519 0.014 0.000 1.057 220 W CA -0.498 56.858 57.345 0.019 0.000 1.953 220 W CB -0.594 28.883 29.460 0.029 0.000 1.053 220 W HN 0.095 nan 8.180 nan 0.000 0.753 221 Q N -0.137 119.745 119.800 0.137 0.000 2.304 221 Q HA 0.321 4.662 4.340 0.001 0.000 0.301 221 Q C 1.193 177.242 176.000 0.082 0.000 1.063 221 Q CA 1.644 57.502 55.803 0.092 0.000 0.947 221 Q CB 0.580 29.342 28.738 0.039 0.000 1.201 221 Q HN 0.251 nan 8.270 nan 0.000 0.389 222 G N 1.979 110.822 108.800 0.072 0.000 2.399 222 G HA2 -0.278 3.682 3.960 0.001 0.000 0.216 222 G HA3 -0.278 3.682 3.960 0.001 0.000 0.216 222 G C -0.090 174.852 174.900 0.069 0.000 1.096 222 G CA 0.062 45.197 45.100 0.059 0.000 0.650 222 G HN 0.602 nan 8.290 nan 0.000 0.512 223 K N 2.167 122.627 120.400 0.101 0.000 2.144 223 K HA 0.520 4.841 4.320 0.001 0.000 0.270 223 K C 0.925 177.575 176.600 0.083 0.000 1.005 223 K CA 0.238 56.585 56.287 0.099 0.000 0.932 223 K CB 1.019 33.602 32.500 0.137 0.000 1.021 223 K HN 0.446 nan 8.250 nan 0.000 0.462 224 T N -0.374 114.217 114.554 0.063 0.000 2.937 224 T HA 0.021 4.372 4.350 0.001 0.000 0.316 224 T C 1.559 176.289 174.700 0.049 0.000 1.079 224 T CA -0.327 61.803 62.100 0.051 0.000 1.131 224 T CB 0.275 69.176 68.868 0.055 0.000 1.000 224 T HN 0.476 nan 8.240 nan 0.000 0.549 225 L N 0.660 121.901 121.223 0.029 0.000 2.263 225 L HA -0.121 4.219 4.340 0.001 0.000 0.216 225 L C 3.058 180.006 176.870 0.129 0.000 1.111 225 L CA 1.478 56.323 54.840 0.008 0.000 0.773 225 L CB -0.749 41.224 42.059 -0.143 0.000 0.906 225 L HN 0.786 nan 8.230 nan 0.000 0.439 226 R N 0.861 121.467 120.500 0.176 0.000 2.075 226 R HA -0.175 4.165 4.340 0.001 0.000 0.230 226 R C 2.379 178.703 176.300 0.040 0.000 1.140 226 R CA 1.895 58.072 56.100 0.129 0.000 0.928 226 R CB -0.151 30.190 30.300 0.069 0.000 0.834 226 R HN 0.495 nan 8.270 nan 0.000 0.429 227 E N 0.445 120.666 120.200 0.036 0.000 2.097 227 E HA -0.349 4.001 4.350 0.001 0.000 0.196 227 E C 2.003 178.599 176.600 -0.006 0.000 1.000 227 E CA 1.534 57.950 56.400 0.027 0.000 0.804 227 E CB -0.536 29.194 29.700 0.050 0.000 0.740 227 E HN 0.541 nan 8.360 nan 0.000 0.454 228 Q N 1.351 121.115 119.800 -0.060 0.000 2.112 228 Q HA -0.242 4.098 4.340 0.001 0.000 0.206 228 Q C 2.190 178.041 176.000 -0.247 0.000 0.987 228 Q CA 1.837 57.461 55.803 -0.298 0.000 0.858 228 Q CB -0.216 28.266 28.738 -0.427 0.000 0.905 228 Q HN 0.358 nan 8.270 nan 0.000 0.420 229 A N 0.885 123.665 122.820 -0.067 0.000 1.829 229 A HA -0.308 4.012 4.320 0.001 0.000 0.216 229 A C 1.960 179.645 177.584 0.167 0.000 1.207 229 A CA 1.932 54.037 52.037 0.113 0.000 0.622 229 A CB -1.038 17.942 19.000 -0.033 0.000 0.846 229 A HN 0.621 nan 8.150 nan 0.000 0.447 230 Q N -0.647 119.196 119.800 0.071 0.000 2.065 230 Q HA -0.303 4.038 4.340 0.001 0.000 0.213 230 Q C 2.336 178.353 176.000 0.029 0.000 1.012 230 Q CA 1.966 57.795 55.803 0.044 0.000 0.876 230 Q CB -0.664 28.085 28.738 0.018 0.000 0.954 230 Q HN 0.701 nan 8.270 nan 0.000 0.413 231 A N 1.076 123.913 122.820 0.028 0.000 2.042 231 A HA -0.221 4.100 4.320 0.001 0.000 0.222 231 A C 1.793 179.411 177.584 0.057 0.000 1.167 231 A CA 1.661 53.736 52.037 0.063 0.000 0.649 231 A CB -0.400 18.672 19.000 0.121 0.000 0.809 231 A HN 0.274 nan 8.150 nan 0.000 0.457 232 R N -2.010 118.481 120.500 -0.015 0.000 2.427 232 R HA 0.305 4.646 4.340 0.001 0.000 0.262 232 R C 1.226 177.428 176.300 -0.163 0.000 0.943 232 R CA 0.526 56.595 56.100 -0.052 0.000 1.081 232 R CB 0.168 30.390 30.300 -0.130 0.000 1.166 232 R HN 0.648 nan 8.270 nan 0.000 0.534 233 G N -0.107 108.611 108.800 -0.137 0.000 2.259 233 G HA2 -0.282 3.679 3.960 0.001 0.000 0.217 233 G HA3 -0.282 3.679 3.960 0.001 0.000 0.217 233 G C -0.228 174.526 174.900 -0.243 0.000 1.001 233 G CA -0.633 44.347 45.100 -0.201 0.000 0.627 233 G HN 0.216 nan 8.290 nan 0.000 0.501 234 Y N 2.637 122.902 120.300 -0.058 0.000 2.721 234 Y HA 0.360 4.910 4.550 0.001 0.000 0.329 234 Y C 1.337 177.190 175.900 -0.077 0.000 1.211 234 Y CA 0.580 58.636 58.100 -0.073 0.000 1.512 234 Y CB 0.368 38.769 38.460 -0.099 0.000 1.249 234 Y HN 0.325 nan 8.280 nan 0.000 0.549 235 Q N 3.599 123.445 119.800 0.076 0.000 2.267 235 Q HA 0.352 4.693 4.340 0.001 0.000 0.255 235 Q C -1.067 174.927 176.000 -0.010 0.000 0.923 235 Q CA -0.569 55.244 55.803 0.017 0.000 0.925 235 Q CB 1.043 29.782 28.738 0.001 0.000 1.195 235 Q HN 0.392 nan 8.270 nan 0.000 0.417 236 L N 3.816 125.007 121.223 -0.053 0.000 2.287 236 L HA 0.526 4.867 4.340 0.001 0.000 0.287 236 L C -0.314 176.480 176.870 -0.127 0.000 1.022 236 L CA -0.629 54.132 54.840 -0.131 0.000 0.814 236 L CB 1.259 43.227 42.059 -0.152 0.000 1.217 236 L HN 0.484 nan 8.230 nan 0.000 0.420 237 V N 0.807 120.610 119.914 -0.184 0.000 2.823 237 V HA 0.756 4.877 4.120 0.001 0.000 0.312 237 V C 0.369 176.316 176.094 -0.246 0.000 1.072 237 V CA -0.471 61.754 62.300 -0.125 0.000 0.937 237 V CB 1.802 33.616 31.823 -0.015 0.000 1.013 237 V HN 0.796 nan 8.190 nan 0.000 0.430 238 S N 0.206 115.864 115.700 -0.071 0.000 2.780 238 S HA 0.440 4.911 4.470 0.001 0.000 0.248 238 S C -0.160 174.627 174.600 0.311 0.000 1.036 238 S CA 0.227 58.409 58.200 -0.030 0.000 1.061 238 S CB -0.608 62.565 63.200 -0.045 0.000 1.037 238 S HN 1.265 nan 8.310 nan 0.000 0.584 239 D N -1.078 119.569 120.400 0.411 0.000 2.671 239 D HA 0.664 5.305 4.640 0.001 0.000 0.273 239 D C 0.899 177.271 176.300 0.120 0.000 1.264 239 D CA -0.362 53.792 54.000 0.256 0.000 0.788 239 D CB 0.712 41.579 40.800 0.111 0.000 1.324 239 D HN -0.041 nan 8.370 nan 0.000 0.424 240 A N 0.677 123.468 122.820 -0.047 0.000 1.903 240 A HA 0.004 4.325 4.320 0.001 0.000 0.219 240 A C 2.252 179.825 177.584 -0.019 0.000 1.191 240 A CA 3.229 55.211 52.037 -0.091 0.000 0.638 240 A CB -1.549 17.394 19.000 -0.096 0.000 0.823 240 A HN 0.906 nan 8.150 nan 0.000 0.451 241 A N 0.153 122.975 122.820 0.004 0.000 1.851 241 A HA -0.155 4.165 4.320 0.001 0.000 0.216 241 A C 2.560 180.160 177.584 0.026 0.000 1.195 241 A CA 2.923 54.967 52.037 0.011 0.000 0.622 241 A CB -1.200 17.807 19.000 0.012 0.000 0.831 241 A HN 1.137 nan 8.150 nan 0.000 0.444 242 S N -0.407 115.322 115.700 0.048 0.000 2.402 242 S HA -0.113 4.357 4.470 0.001 0.000 0.229 242 S C 1.811 176.452 174.600 0.067 0.000 1.021 242 S CA 1.327 59.558 58.200 0.051 0.000 0.974 242 S CB -0.609 62.621 63.200 0.050 0.000 0.800 242 S HN 0.511 nan 8.310 nan 0.000 0.484 243 L N 2.494 123.783 121.223 0.110 0.000 2.083 243 L HA 0.065 4.406 4.340 0.001 0.000 0.209 243 L C 1.737 178.634 176.870 0.044 0.000 1.083 243 L CA 1.755 56.667 54.840 0.120 0.000 0.752 243 L CB -1.152 40.998 42.059 0.152 0.000 0.899 243 L HN 0.159 nan 8.230 nan 0.000 0.433 244 N N -0.871 117.840 118.700 0.018 0.000 2.459 244 N HA -0.050 4.690 4.740 0.001 0.000 0.181 244 N C 1.690 177.203 175.510 0.005 0.000 1.046 244 N CA 1.047 54.098 53.050 0.002 0.000 0.904 244 N CB 0.021 38.503 38.487 -0.008 0.000 0.964 244 N HN 0.346 nan 8.380 nan 0.000 0.444 245 S N -0.060 115.646 115.700 0.011 0.000 2.522 245 S HA 0.054 4.525 4.470 0.001 0.000 0.227 245 S C 0.828 175.431 174.600 0.006 0.000 0.986 245 S CA -0.078 58.127 58.200 0.008 0.000 0.929 245 S CB 0.256 63.462 63.200 0.009 0.000 0.769 245 S HN 0.017 nan 8.310 nan 0.000 0.529 246 V N 2.303 122.222 119.914 0.008 0.000 2.811 246 V HA 0.255 4.376 4.120 0.001 0.000 0.302 246 V C 1.313 177.406 176.094 -0.001 0.000 1.063 246 V CA 0.481 62.783 62.300 0.004 0.000 1.088 246 V CB 0.979 32.806 31.823 0.006 0.000 0.982 246 V HN 0.486 nan 8.190 nan 0.000 0.485 247 T N -0.585 113.967 114.554 -0.003 0.000 3.105 247 T HA 0.243 4.593 4.350 0.001 0.000 0.257 247 T C 0.280 174.977 174.700 -0.005 0.000 0.949 247 T CA -0.042 62.056 62.100 -0.003 0.000 0.959 247 T CB 0.267 69.135 68.868 -0.000 0.000 1.205 247 T HN 0.543 nan 8.240 nan 0.000 0.496 248 E N 0.823 121.020 120.200 -0.005 0.000 2.235 248 E HA 0.747 5.098 4.350 0.001 0.000 0.265 248 E C -1.479 175.115 176.600 -0.010 0.000 0.940 248 E CA -0.590 55.806 56.400 -0.006 0.000 0.819 248 E CB 1.978 31.675 29.700 -0.005 0.000 1.206 248 E HN 0.581 nan 8.360 nan 0.000 0.409 249 A N 3.666 126.480 122.820 -0.011 0.000 2.483 249 A HA 0.491 4.811 4.320 0.001 0.000 0.298 249 A C -1.674 175.905 177.584 -0.009 0.000 1.052 249 A CA -0.889 51.141 52.037 -0.012 0.000 0.978 249 A CB -0.058 18.932 19.000 -0.016 0.000 1.506 249 A HN 0.649 nan 8.150 nan 0.000 0.388 250 N N 0.699 119.392 118.700 -0.011 0.000 3.106 250 N HA 0.263 5.003 4.740 0.001 0.000 0.253 250 N C 0.342 175.838 175.510 -0.023 0.000 1.506 250 N CA -0.713 52.334 53.050 -0.006 0.000 0.876 250 N CB 0.313 38.800 38.487 -0.001 0.000 1.452 250 N HN 0.085 nan 8.380 nan 0.000 0.542 251 Q N -0.434 119.357 119.800 -0.015 0.000 2.325 251 Q HA -0.158 4.183 4.340 0.001 0.000 0.211 251 Q C 0.950 176.908 176.000 -0.070 0.000 0.988 251 Q CA 1.754 57.537 55.803 -0.033 0.000 0.887 251 Q CB -0.160 28.571 28.738 -0.011 0.000 0.915 251 Q HN 0.742 nan 8.270 nan 0.000 0.440 252 Q N -0.777 118.988 119.800 -0.059 0.000 2.396 252 Q HA 0.097 4.437 4.340 0.001 0.000 0.220 252 Q C 0.319 176.263 176.000 -0.093 0.000 0.900 252 Q CA 0.465 56.225 55.803 -0.071 0.000 0.925 252 Q CB 0.344 29.058 28.738 -0.040 0.000 1.065 252 Q HN 0.118 nan 8.270 nan 0.000 0.535 253 K N 1.608 121.962 120.400 -0.076 0.000 3.163 253 K HA 0.391 4.712 4.320 0.001 0.000 0.186 253 K C -2.662 173.901 176.600 -0.061 0.000 1.111 253 K CA -1.751 54.494 56.287 -0.071 0.000 0.918 253 K CB 1.447 33.924 32.500 -0.038 0.000 1.059 253 K HN 0.031 nan 8.250 nan 0.000 0.558 254 P HA -0.036 nan 4.420 nan 0.000 0.268 254 P C -0.932 176.421 177.300 0.088 0.000 1.205 254 P CA -0.442 62.648 63.100 -0.017 0.000 0.771 254 P CB 0.568 32.204 31.700 -0.107 0.000 0.858 255 L N 4.783 126.060 121.223 0.091 0.000 2.282 255 L HA 0.521 4.861 4.340 0.001 0.000 0.288 255 L C -1.212 175.679 176.870 0.035 0.000 1.033 255 L CA -0.515 54.359 54.840 0.057 0.000 0.807 255 L CB 0.823 42.891 42.059 0.015 0.000 1.209 255 L HN 0.149 nan 8.230 nan 0.000 0.423 256 L N 5.334 126.535 121.223 -0.037 0.000 2.318 256 L HA 0.755 5.095 4.340 0.001 0.000 0.277 256 L C -0.009 176.668 176.870 -0.321 0.000 1.008 256 L CA -0.037 54.682 54.840 -0.201 0.000 0.846 256 L CB 1.248 43.113 42.059 -0.324 0.000 1.220 256 L HN 0.692 nan 8.230 nan 0.000 0.423 257 G N 5.977 114.539 108.800 -0.396 0.000 2.347 257 G HA2 0.563 4.524 3.960 0.001 0.000 0.314 257 G HA3 0.563 4.524 3.960 0.001 0.000 0.314 257 G C -1.015 173.306 174.900 -0.966 0.000 1.126 257 G CA -0.389 44.211 45.100 -0.833 0.000 0.929 257 G HN 0.529 nan 8.290 nan 0.000 0.441 258 L N 3.107 123.752 121.223 -0.964 0.000 2.384 258 L HA 0.332 4.672 4.340 0.001 0.000 0.261 258 L C -0.098 176.466 176.870 -0.510 0.000 1.024 258 L CA -0.640 53.841 54.840 -0.598 0.000 0.899 258 L CB 0.963 42.732 42.059 -0.483 0.000 1.243 258 L HN 0.541 nan 8.230 nan 0.000 0.449 259 F N 1.392 121.304 119.950 -0.062 0.000 2.765 259 F HA 0.454 4.982 4.527 0.001 0.000 0.302 259 F C 1.122 176.907 175.800 -0.024 0.000 1.111 259 F CA -0.302 57.673 58.000 -0.042 0.000 1.359 259 F CB 0.300 39.277 39.000 -0.038 0.000 1.097 259 F HN 0.409 nan 8.300 nan 0.000 0.577 260 A N -0.712 122.165 122.820 0.096 0.000 2.604 260 A HA 0.407 4.727 4.320 0.001 0.000 0.295 260 A C 0.200 177.812 177.584 0.047 0.000 1.067 260 A CA -0.669 51.412 52.037 0.073 0.000 0.683 260 A CB 0.594 19.643 19.000 0.083 0.000 1.281 260 A HN -0.058 nan 8.150 nan 0.000 0.407 261 D N 0.797 121.224 120.400 0.046 0.000 2.092 261 D HA -0.044 4.597 4.640 0.001 0.000 0.193 261 D C 1.438 177.781 176.300 0.071 0.000 0.994 261 D CA 2.554 56.584 54.000 0.051 0.000 0.828 261 D CB 0.036 40.862 40.800 0.044 0.000 0.963 261 D HN 0.698 nan 8.370 nan 0.000 0.450 262 G N 0.042 108.882 108.800 0.068 0.000 3.410 262 G HA2 0.126 4.087 3.960 0.001 0.000 0.189 262 G HA3 0.126 4.087 3.960 0.001 0.000 0.189 262 G C 0.175 175.122 174.900 0.078 0.000 1.404 262 G CA -0.388 44.761 45.100 0.083 0.000 0.898 262 G HN 0.038 nan 8.290 nan 0.000 0.650 263 N N 0.708 119.450 118.700 0.071 0.000 2.508 263 N HA 0.159 4.900 4.740 0.001 0.000 0.264 263 N C 0.032 175.576 175.510 0.056 0.000 1.216 263 N CA 0.209 53.297 53.050 0.063 0.000 0.943 263 N CB 0.920 39.441 38.487 0.056 0.000 1.113 263 N HN 0.252 nan 8.380 nan 0.000 0.447 264 M N 2.294 121.927 119.600 0.055 0.000 2.238 264 M HA 0.144 4.625 4.480 0.001 0.000 0.347 264 M C -1.701 174.615 176.300 0.027 0.000 1.173 264 M CA -1.201 54.128 55.300 0.048 0.000 1.147 264 M CB 0.130 32.759 32.600 0.048 0.000 1.547 264 M HN 0.285 nan 8.290 nan 0.000 0.455 265 P HA 0.018 nan 4.420 nan 0.000 0.266 265 P C -0.540 176.766 177.300 0.009 0.000 1.193 265 P CA -0.205 62.907 63.100 0.020 0.000 0.770 265 P CB 0.446 32.160 31.700 0.023 0.000 0.836 266 V N 3.819 123.739 119.914 0.010 0.000 2.811 266 V HA -0.001 4.120 4.120 0.001 0.000 0.302 266 V C 2.421 178.527 176.094 0.021 0.000 1.063 266 V CA 0.142 62.440 62.300 -0.003 0.000 1.088 266 V CB 0.333 32.155 31.823 -0.002 0.000 0.982 266 V HN 0.660 nan 8.190 nan 0.000 0.485 267 R N 2.930 123.422 120.500 -0.014 0.000 2.070 267 R HA -0.083 4.257 4.340 0.001 0.000 0.232 267 R C -0.093 176.391 176.300 0.307 0.000 1.138 267 R CA 1.461 57.594 56.100 0.055 0.000 0.936 267 R CB 0.121 30.328 30.300 -0.154 0.000 0.839 267 R HN 0.639 nan 8.270 nan 0.000 0.429 268 W N -0.158 121.130 121.300 -0.021 0.000 2.706 268 W HA 0.435 5.095 4.660 0.001 0.000 0.346 268 W C -0.672 175.832 176.519 -0.025 0.000 1.071 268 W CA -1.412 55.921 57.345 -0.021 0.000 1.206 268 W CB 0.244 29.686 29.460 -0.030 0.000 1.413 268 W HN -0.043 nan 8.180 nan 0.000 0.542 269 L N 1.361 122.718 121.223 0.224 0.000 2.352 269 L HA 0.932 5.273 4.340 0.001 0.000 0.269 269 L C 0.233 177.163 176.870 0.099 0.000 1.034 269 L CA -0.137 54.772 54.840 0.115 0.000 0.806 269 L CB 1.658 43.756 42.059 0.066 0.000 1.244 269 L HN 0.555 nan 8.230 nan 0.000 0.447 270 G N 2.520 111.358 108.800 0.064 0.000 2.433 270 G HA2 0.380 4.340 3.960 0.001 0.000 0.306 270 G HA3 0.380 4.340 3.960 0.001 0.000 0.306 270 G C -3.191 171.728 174.900 0.031 0.000 1.627 270 G CA -0.700 44.429 45.100 0.049 0.000 0.893 270 G HN 0.472 nan 8.290 nan 0.000 0.648 271 P HA 0.199 nan 4.420 nan 0.000 0.271 271 P C -0.512 176.792 177.300 0.007 0.000 1.244 271 P CA -0.231 62.879 63.100 0.017 0.000 0.793 271 P CB 1.143 32.856 31.700 0.022 0.000 0.984 272 K N 0.637 121.033 120.400 -0.007 0.000 2.143 272 K HA 0.438 4.759 4.320 0.001 0.000 0.272 272 K C -0.189 176.400 176.600 -0.019 0.000 1.001 272 K CA -0.625 55.638 56.287 -0.039 0.000 0.915 272 K CB 0.894 33.362 32.500 -0.053 0.000 1.047 272 K HN 0.529 nan 8.250 nan 0.000 0.458 273 A N 2.512 125.309 122.820 -0.038 0.000 2.531 273 A HA 0.174 4.495 4.320 0.001 0.000 0.236 273 A C 0.136 177.748 177.584 0.047 0.000 1.062 273 A CA 0.402 52.462 52.037 0.039 0.000 0.760 273 A CB -0.186 18.876 19.000 0.103 0.000 0.995 273 A HN 0.872 nan 8.150 nan 0.000 0.501 274 T N -0.699 113.905 114.554 0.084 0.000 2.887 274 T HA 0.495 4.846 4.350 0.001 0.000 0.292 274 T C -0.481 174.301 174.700 0.136 0.000 1.087 274 T CA -0.590 61.569 62.100 0.099 0.000 1.009 274 T CB 0.688 69.607 68.868 0.085 0.000 1.203 274 T HN 0.661 nan 8.240 nan 0.000 0.518 275 Y N 1.880 122.179 120.300 -0.002 0.000 2.650 275 Y HA 0.117 4.667 4.550 0.001 0.000 0.331 275 Y C 1.412 177.308 175.900 -0.006 0.000 1.165 275 Y CA 0.780 58.837 58.100 -0.072 0.000 1.473 275 Y CB -0.983 37.383 38.460 -0.157 0.000 1.224 275 Y HN 1.025 nan 8.280 nan 0.000 0.533 276 H N 1.464 120.285 119.070 -0.415 0.000 3.179 276 H HA -0.249 4.307 4.556 0.001 0.000 0.250 276 H C 1.616 176.876 175.328 -0.114 0.000 1.142 276 H CA 0.148 55.997 56.048 -0.331 0.000 1.165 276 H CB -1.150 28.354 29.762 -0.430 0.000 1.253 276 H HN 0.927 nan 8.280 nan 0.000 0.325 277 G N 1.310 110.151 108.800 0.068 0.000 2.485 277 G HA2 -0.349 3.612 3.960 0.001 0.000 0.221 277 G HA3 -0.349 3.612 3.960 0.001 0.000 0.221 277 G C 1.620 176.550 174.900 0.050 0.000 1.115 277 G CA 1.056 46.195 45.100 0.065 0.000 0.751 277 G HN 0.741 nan 8.290 nan 0.000 0.567 278 N N 1.259 119.986 118.700 0.044 0.000 2.396 278 N HA -0.060 4.680 4.740 0.001 0.000 0.180 278 N C 2.144 177.659 175.510 0.009 0.000 1.028 278 N CA 1.502 54.571 53.050 0.032 0.000 0.893 278 N CB -0.269 38.236 38.487 0.030 0.000 0.967 278 N HN 0.623 nan 8.380 nan 0.000 0.440 279 I N -3.005 117.559 120.570 -0.010 0.000 3.300 279 I HA 0.228 4.398 4.170 0.001 0.000 0.279 279 I C 0.746 176.852 176.117 -0.018 0.000 1.172 279 I CA 0.376 61.655 61.300 -0.035 0.000 1.431 279 I CB -0.040 37.901 38.000 -0.099 0.000 1.240 279 I HN -0.314 nan 8.210 nan 0.000 0.453 280 D N 1.966 122.368 120.400 0.003 0.000 2.277 280 D HA 0.101 4.741 4.640 0.001 0.000 0.208 280 D C 0.301 176.617 176.300 0.026 0.000 0.962 280 D CA 0.974 54.986 54.000 0.020 0.000 0.865 280 D CB 0.267 41.097 40.800 0.051 0.000 0.939 280 D HN 0.464 nan 8.370 nan 0.000 0.510 281 K N 0.498 120.916 120.400 0.029 0.000 2.350 281 K HA 0.414 4.734 4.320 0.001 0.000 0.241 281 K C -2.446 174.170 176.600 0.027 0.000 0.994 281 K CA -1.786 54.519 56.287 0.030 0.000 0.839 281 K CB 1.865 34.388 32.500 0.038 0.000 1.244 281 K HN -0.159 nan 8.250 nan 0.000 0.443 282 P HA 0.008 nan 4.420 nan 0.000 0.269 282 P C -0.941 176.379 177.300 0.034 0.000 1.215 282 P CA -0.270 62.846 63.100 0.025 0.000 0.780 282 P CB 0.550 32.264 31.700 0.022 0.000 0.898 283 A N 2.342 125.183 122.820 0.035 0.000 2.425 283 A HA 0.348 4.669 4.320 0.001 0.000 0.249 283 A C 0.289 177.907 177.584 0.056 0.000 1.084 283 A CA -0.472 51.594 52.037 0.049 0.000 0.781 283 A CB -0.045 18.982 19.000 0.045 0.000 1.019 283 A HN 0.375 nan 8.150 nan 0.000 0.490 284 V N 2.006 121.965 119.914 0.076 0.000 2.686 284 V HA 0.489 4.609 4.120 0.001 0.000 0.295 284 V C 0.483 176.651 176.094 0.125 0.000 1.057 284 V CA -0.146 62.204 62.300 0.084 0.000 1.012 284 V CB 1.543 33.415 31.823 0.082 0.000 1.006 284 V HN 0.923 nan 8.190 nan 0.000 0.477 285 T N 2.429 117.045 114.554 0.102 0.000 2.840 285 T HA 0.315 4.665 4.350 0.001 0.000 0.287 285 T C -0.207 174.543 174.700 0.083 0.000 0.991 285 T CA -0.358 61.821 62.100 0.133 0.000 0.964 285 T CB 0.924 69.822 68.868 0.051 0.000 0.954 285 T HN 0.756 nan 8.240 nan 0.000 0.438 286 c N 3.134 121.799 118.600 0.108 0.000 2.727 286 c HA 0.577 5.147 4.570 0.001 0.000 0.401 286 c C 1.128 175.105 174.090 -0.188 0.000 1.294 286 c CA -0.305 55.994 56.329 -0.049 0.000 2.134 286 c CB -0.337 42.107 42.510 -0.109 0.000 2.724 286 c HN 0.892 nan 8.230 nan 0.000 0.677 287 T N 2.519 116.964 114.554 -0.182 0.000 2.903 287 T HA 0.445 4.796 4.350 0.001 0.000 0.299 287 T C -2.770 171.826 174.700 -0.173 0.000 1.093 287 T CA -0.660 61.329 62.100 -0.187 0.000 1.002 287 T CB 1.851 70.677 68.868 -0.070 0.000 1.127 287 T HN 0.346 nan 8.240 nan 0.000 0.488 288 P HA 0.185 nan 4.420 nan 0.000 0.270 288 P C -0.559 176.774 177.300 0.055 0.000 1.223 288 P CA -0.498 62.588 63.100 -0.023 0.000 0.785 288 P CB 0.385 32.071 31.700 -0.023 0.000 0.923 289 N N 2.726 121.496 118.700 0.116 0.000 2.402 289 N HA 0.125 4.866 4.740 0.001 0.000 0.252 289 N C -1.704 173.837 175.510 0.051 0.000 1.118 289 N CA -2.147 50.953 53.050 0.083 0.000 0.945 289 N CB -0.084 38.459 38.487 0.093 0.000 1.147 289 N HN 0.150 nan 8.380 nan 0.000 0.495 290 P HA -0.163 nan 4.420 nan 0.000 0.216 290 P C 0.900 178.214 177.300 0.023 0.000 1.150 290 P CA 1.238 64.352 63.100 0.022 0.000 0.843 290 P CB 0.429 32.139 31.700 0.016 0.000 0.787 291 Q N -0.739 119.076 119.800 0.026 0.000 2.050 291 Q HA -0.097 4.244 4.340 0.001 0.000 0.202 291 Q C 1.158 177.172 176.000 0.024 0.000 0.980 291 Q CA 0.928 56.745 55.803 0.023 0.000 0.840 291 Q CB -0.777 27.976 28.738 0.024 0.000 0.898 291 Q HN 0.156 nan 8.270 nan 0.000 0.424 292 R N 2.131 122.648 120.500 0.028 0.000 2.561 292 R HA -0.032 4.308 4.340 0.001 0.000 0.347 292 R C -0.929 175.381 176.300 0.018 0.000 0.916 292 R CA 0.072 56.187 56.100 0.024 0.000 1.063 292 R CB -0.345 29.974 30.300 0.031 0.000 0.916 292 R HN 0.283 nan 8.270 nan 0.000 0.410 293 N N 2.427 121.135 118.700 0.014 0.000 2.453 293 N HA -0.069 4.672 4.740 0.001 0.000 0.253 293 N C 0.315 175.825 175.510 0.001 0.000 1.252 293 N CA -0.338 52.717 53.050 0.009 0.000 0.917 293 N CB 0.669 39.163 38.487 0.012 0.000 1.117 293 N HN 0.539 nan 8.380 nan 0.000 0.442 294 D N -0.010 120.389 120.400 -0.001 0.000 2.350 294 D HA -0.098 4.542 4.640 0.001 0.000 0.216 294 D C 1.169 177.456 176.300 -0.022 0.000 0.968 294 D CA 0.728 54.722 54.000 -0.010 0.000 0.894 294 D CB 0.107 40.903 40.800 -0.006 0.000 0.909 294 D HN 0.586 nan 8.370 nan 0.000 0.520 295 S N -0.783 114.907 115.700 -0.016 0.000 2.527 295 S HA 0.010 4.480 4.470 0.001 0.000 0.222 295 S C 0.952 175.524 174.600 -0.046 0.000 0.985 295 S CA -0.255 57.933 58.200 -0.020 0.000 0.921 295 S CB 0.145 63.347 63.200 0.004 0.000 0.772 295 S HN -0.104 nan 8.310 nan 0.000 0.529 296 V N 4.494 124.377 119.914 -0.051 0.000 2.405 296 V HA 0.309 4.430 4.120 0.001 0.000 0.264 296 V C -2.195 173.786 176.094 -0.188 0.000 1.048 296 V CA -1.834 60.410 62.300 -0.094 0.000 0.966 296 V CB 0.093 31.893 31.823 -0.038 0.000 1.015 296 V HN 0.263 nan 8.190 nan 0.000 0.477 297 P HA 0.166 nan 4.420 nan 0.000 0.269 297 P C 0.121 177.261 177.300 -0.266 0.000 1.217 297 P CA -0.019 62.851 63.100 -0.383 0.000 0.783 297 P CB 0.283 31.560 31.700 -0.706 0.000 0.898 298 T N -0.912 113.528 114.554 -0.189 0.000 2.934 298 T HA 0.225 4.576 4.350 0.001 0.000 0.283 298 T C 1.024 175.644 174.700 -0.135 0.000 1.005 298 T CA -0.734 61.287 62.100 -0.132 0.000 1.041 298 T CB 0.538 69.352 68.868 -0.091 0.000 1.042 298 T HN 0.137 nan 8.240 nan 0.000 0.505 299 L N 2.237 123.394 121.223 -0.110 0.000 1.997 299 L HA -0.072 4.269 4.340 0.001 0.000 0.216 299 L C 2.808 179.617 176.870 -0.102 0.000 1.074 299 L CA 2.750 57.530 54.840 -0.101 0.000 0.763 299 L CB -1.510 40.489 42.059 -0.098 0.000 0.890 299 L HN 0.973 nan 8.230 nan 0.000 0.434 300 A N -1.628 121.134 122.820 -0.096 0.000 1.940 300 A HA -0.281 4.039 4.320 0.001 0.000 0.219 300 A C 2.182 179.714 177.584 -0.087 0.000 1.176 300 A CA 1.948 53.934 52.037 -0.086 0.000 0.631 300 A CB -0.561 18.397 19.000 -0.071 0.000 0.814 300 A HN 0.697 nan 8.150 nan 0.000 0.446 301 Q N -1.026 118.716 119.800 -0.097 0.000 2.046 301 Q HA -0.117 4.223 4.340 0.001 0.000 0.200 301 Q C 2.291 178.223 176.000 -0.114 0.000 0.975 301 Q CA 1.682 57.423 55.803 -0.104 0.000 0.836 301 Q CB -0.271 28.391 28.738 -0.125 0.000 0.896 301 Q HN 0.716 nan 8.270 nan 0.000 0.428 302 M N -0.134 119.386 119.600 -0.134 0.000 2.065 302 M HA -0.185 4.295 4.480 0.001 0.000 0.259 302 M C 2.258 178.502 176.300 -0.094 0.000 1.069 302 M CA 1.593 56.829 55.300 -0.107 0.000 1.110 302 M CB -0.678 31.867 32.600 -0.092 0.000 1.328 302 M HN 0.200 nan 8.290 nan 0.000 0.405 303 T N 0.034 114.526 114.554 -0.103 0.000 2.699 303 T HA -0.198 4.153 4.350 0.001 0.000 0.268 303 T C 1.358 175.976 174.700 -0.136 0.000 1.036 303 T CA 1.907 63.935 62.100 -0.121 0.000 1.147 303 T CB -0.467 68.334 68.868 -0.112 0.000 0.862 303 T HN 0.403 nan 8.240 nan 0.000 0.446 304 D N 0.866 121.202 120.400 -0.107 0.000 2.077 304 D HA -0.104 4.536 4.640 0.001 0.000 0.193 304 D C 2.182 178.417 176.300 -0.108 0.000 0.989 304 D CA 1.333 55.276 54.000 -0.094 0.000 0.831 304 D CB -0.253 40.509 40.800 -0.064 0.000 0.979 304 D HN 0.134 nan 8.370 nan 0.000 0.449 305 K N 0.499 120.844 120.400 -0.093 0.000 2.044 305 K HA -0.085 4.236 4.320 0.001 0.000 0.210 305 K C 1.923 178.447 176.600 -0.127 0.000 1.049 305 K CA 1.744 57.980 56.287 -0.085 0.000 0.927 305 K CB -0.909 31.558 32.500 -0.054 0.000 0.713 305 K HN 0.142 nan 8.250 nan 0.000 0.443 306 A N 1.051 123.781 122.820 -0.149 0.000 1.869 306 A HA -0.225 4.095 4.320 0.001 0.000 0.218 306 A C 2.280 179.650 177.584 -0.358 0.000 1.203 306 A CA 2.240 54.149 52.037 -0.214 0.000 0.638 306 A CB -0.962 17.913 19.000 -0.209 0.000 0.831 306 A HN 0.390 nan 8.150 nan 0.000 0.450 307 I N -0.585 119.743 120.570 -0.403 0.000 2.194 307 I HA -0.299 3.871 4.170 0.001 0.000 0.246 307 I C 2.660 178.534 176.117 -0.404 0.000 1.093 307 I CA 2.010 62.960 61.300 -0.584 0.000 1.355 307 I CB -0.552 37.157 38.000 -0.484 0.000 1.046 307 I HN 0.629 nan 8.210 nan 0.000 0.413 308 E N 1.548 121.622 120.200 -0.209 0.000 2.077 308 E HA -0.209 4.142 4.350 0.001 0.000 0.193 308 E C 2.355 178.897 176.600 -0.097 0.000 0.989 308 E CA 1.167 57.511 56.400 -0.093 0.000 0.800 308 E CB 0.029 29.698 29.700 -0.052 0.000 0.746 308 E HN 0.491 nan 8.360 nan 0.000 0.452 309 L N 0.463 121.603 121.223 -0.138 0.000 2.044 309 L HA -0.122 4.218 4.340 0.001 0.000 0.205 309 L C 2.697 179.480 176.870 -0.145 0.000 1.075 309 L CA 0.650 55.424 54.840 -0.109 0.000 0.747 309 L CB -0.380 41.619 42.059 -0.100 0.000 0.903 309 L HN 0.203 nan 8.230 nan 0.000 0.435 310 L N -0.117 120.919 121.223 -0.312 0.000 2.083 310 L HA -0.175 4.165 4.340 0.001 0.000 0.209 310 L C 2.837 179.590 176.870 -0.195 0.000 1.083 310 L CA 1.466 56.058 54.840 -0.413 0.000 0.752 310 L CB -0.704 40.772 42.059 -0.971 0.000 0.899 310 L HN 0.394 nan 8.230 nan 0.000 0.433 311 S N -0.257 115.333 115.700 -0.183 0.000 2.465 311 S HA -0.205 4.266 4.470 0.001 0.000 0.241 311 S C 1.736 176.466 174.600 0.217 0.000 1.000 311 S CA 0.969 59.333 58.200 0.273 0.000 0.964 311 S CB -0.397 62.995 63.200 0.320 0.000 0.763 311 S HN 0.439 nan 8.310 nan 0.000 0.512 312 K N 1.531 121.995 120.400 0.106 0.000 2.209 312 K HA -0.001 4.319 4.320 0.001 0.000 0.204 312 K C 0.780 177.442 176.600 0.104 0.000 1.048 312 K CA 0.754 57.095 56.287 0.089 0.000 0.940 312 K CB -0.391 32.136 32.500 0.046 0.000 0.729 312 K HN 0.341 nan 8.250 nan 0.000 0.451 313 N N 2.129 120.908 118.700 0.133 0.000 2.427 313 N HA -0.080 4.660 4.740 0.001 0.000 0.269 313 N C 0.605 176.189 175.510 0.124 0.000 1.235 313 N CA 0.386 53.510 53.050 0.125 0.000 0.934 313 N CB 0.847 39.420 38.487 0.143 0.000 1.121 313 N HN 0.023 nan 8.380 nan 0.000 0.480 314 E N 3.470 123.722 120.200 0.087 0.000 2.219 314 E HA -0.205 4.145 4.350 0.001 0.000 0.198 314 E C 0.793 177.430 176.600 0.063 0.000 0.998 314 E CA 1.317 57.758 56.400 0.070 0.000 0.818 314 E CB 0.272 30.003 29.700 0.051 0.000 0.741 314 E HN 0.662 nan 8.360 nan 0.000 0.477 315 K N -0.894 119.545 120.400 0.065 0.000 2.076 315 K HA 0.098 4.419 4.320 0.001 0.000 0.204 315 K C 1.223 177.852 176.600 0.048 0.000 1.051 315 K CA 0.802 57.119 56.287 0.051 0.000 0.949 315 K CB 0.333 32.864 32.500 0.052 0.000 0.726 315 K HN 0.159 nan 8.250 nan 0.000 0.443 316 G N 0.382 109.233 108.800 0.084 0.000 2.302 316 G HA2 0.167 4.128 3.960 0.001 0.000 0.276 316 G HA3 0.167 4.128 3.960 0.001 0.000 0.276 316 G C -1.590 173.416 174.900 0.176 0.000 1.316 316 G CA -0.609 44.520 45.100 0.048 0.000 0.988 316 G HN 0.186 nan 8.290 nan 0.000 0.479 317 F N -2.408 117.590 119.950 0.080 0.000 2.779 317 F HA 0.882 5.409 4.527 0.001 0.000 0.316 317 F C -1.516 174.357 175.800 0.121 0.000 1.164 317 F CA -1.944 56.106 58.000 0.083 0.000 0.924 317 F CB 1.481 40.493 39.000 0.021 0.000 1.348 317 F HN 1.097 nan 8.300 nan 0.000 0.467 318 F N 2.585 122.757 119.950 0.371 0.000 2.569 318 F HA 0.833 5.360 4.527 0.001 0.000 0.312 318 F C -2.301 173.653 175.800 0.257 0.000 1.109 318 F CA -1.232 56.907 58.000 0.232 0.000 0.919 318 F CB 2.054 41.123 39.000 0.116 0.000 1.211 318 F HN 0.749 nan 8.300 nan 0.000 0.446 319 L N 5.665 126.384 121.223 -0.839 0.000 2.528 319 L HA 0.434 4.774 4.340 0.001 0.000 0.267 319 L C -1.579 174.910 176.870 -0.636 0.000 0.961 319 L CA -0.205 54.303 54.840 -0.553 0.000 0.866 319 L CB 1.943 43.852 42.059 -0.250 0.000 1.248 319 L HN 0.786 nan 8.230 nan 0.000 0.404 320 Q N 3.751 123.314 119.800 -0.394 0.000 2.303 320 Q HA 0.696 5.036 4.340 0.001 0.000 0.257 320 Q C -1.714 174.229 176.000 -0.096 0.000 0.941 320 Q CA -0.589 55.110 55.803 -0.174 0.000 0.931 320 Q CB 1.564 30.368 28.738 0.111 0.000 1.215 320 Q HN 0.636 nan 8.270 nan 0.000 0.437 321 V N 4.549 124.394 119.914 -0.114 0.000 2.409 321 V HA 0.380 4.501 4.120 0.001 0.000 0.291 321 V C -0.553 175.494 176.094 -0.079 0.000 1.020 321 V CA -0.626 61.620 62.300 -0.091 0.000 0.848 321 V CB 1.617 33.370 31.823 -0.116 0.000 0.990 321 V HN 0.804 nan 8.190 nan 0.000 0.430 322 E N 3.195 123.368 120.200 -0.046 0.000 2.210 322 E HA 0.590 4.940 4.350 0.001 0.000 0.266 322 E C -0.182 176.390 176.600 -0.048 0.000 0.883 322 E CA -0.644 55.733 56.400 -0.038 0.000 0.761 322 E CB 2.078 31.788 29.700 0.017 0.000 1.156 322 E HN 0.805 nan 8.360 nan 0.000 0.412 323 G N 2.868 111.625 108.800 -0.072 0.000 2.741 323 G HA2 0.416 4.377 3.960 0.001 0.000 0.336 323 G HA3 0.416 4.377 3.960 0.001 0.000 0.336 323 G C 0.538 175.405 174.900 -0.054 0.000 1.022 323 G CA 0.218 45.269 45.100 -0.081 0.000 1.193 323 G HN 0.557 nan 8.290 nan 0.000 0.455 324 A N 2.082 124.890 122.820 -0.019 0.000 1.873 324 A HA 0.028 4.348 4.320 0.001 0.000 0.215 324 A C 2.368 179.970 177.584 0.030 0.000 1.186 324 A CA 1.665 53.714 52.037 0.019 0.000 0.616 324 A CB -0.208 18.817 19.000 0.042 0.000 0.823 324 A HN 0.496 nan 8.150 nan 0.000 0.442 325 S N -0.008 115.696 115.700 0.006 0.000 2.660 325 S HA 0.093 4.563 4.470 0.001 0.000 0.228 325 S C 1.358 175.946 174.600 -0.019 0.000 0.966 325 S CA 0.275 58.480 58.200 0.009 0.000 0.940 325 S CB -0.536 62.661 63.200 -0.005 0.000 0.773 325 S HN 0.508 nan 8.310 nan 0.000 0.535 326 I N 1.483 122.030 120.570 -0.038 0.000 2.252 326 I HA -0.176 3.995 4.170 0.001 0.000 0.245 326 I C 2.570 178.662 176.117 -0.041 0.000 1.102 326 I CA 1.305 62.564 61.300 -0.068 0.000 1.385 326 I CB -0.200 37.749 38.000 -0.084 0.000 1.064 326 I HN 0.355 nan 8.210 nan 0.000 0.414 327 D N 1.278 121.704 120.400 0.043 0.000 2.123 327 D HA -0.184 4.456 4.640 0.001 0.000 0.200 327 D C 2.019 178.452 176.300 0.221 0.000 0.976 327 D CA 1.269 55.371 54.000 0.171 0.000 0.831 327 D CB 0.196 41.189 40.800 0.321 0.000 0.974 327 D HN 0.280 nan 8.370 nan 0.000 0.469 328 K N -0.201 120.325 120.400 0.211 0.000 2.057 328 K HA -0.095 4.226 4.320 0.001 0.000 0.206 328 K C 2.376 179.050 176.600 0.123 0.000 1.050 328 K CA 0.873 57.295 56.287 0.226 0.000 0.935 328 K CB 0.059 32.640 32.500 0.134 0.000 0.715 328 K HN 0.090 nan 8.250 nan 0.000 0.439 329 Q N 0.739 120.552 119.800 0.022 0.000 2.230 329 Q HA -0.114 4.226 4.340 0.001 0.000 0.202 329 Q C 1.593 177.535 176.000 -0.097 0.000 0.963 329 Q CA 1.043 56.824 55.803 -0.037 0.000 0.866 329 Q CB -0.079 28.625 28.738 -0.056 0.000 0.931 329 Q HN 0.332 nan 8.270 nan 0.000 0.452 330 D N -0.143 120.166 120.400 -0.151 0.000 2.144 330 D HA -0.157 4.483 4.640 0.001 0.000 0.200 330 D C 1.639 177.753 176.300 -0.310 0.000 0.978 330 D CA 0.824 54.643 54.000 -0.303 0.000 0.833 330 D CB 0.266 40.611 40.800 -0.759 0.000 0.961 330 D HN 0.329 nan 8.370 nan 0.000 0.470 331 H N 0.018 119.018 119.070 -0.117 0.000 2.357 331 H HA 0.013 4.570 4.556 0.001 0.000 0.301 331 H C 1.729 177.033 175.328 -0.040 0.000 1.082 331 H CA 1.294 57.388 56.048 0.076 0.000 1.342 331 H CB -0.018 29.834 29.762 0.150 0.000 1.389 331 H HN 0.114 nan 8.280 nan 0.000 0.511 332 A N 0.542 123.381 122.820 0.031 0.000 2.239 332 A HA 0.315 4.636 4.320 0.001 0.000 0.209 332 A C 1.494 178.929 177.584 -0.249 0.000 1.171 332 A CA 0.832 52.827 52.037 -0.071 0.000 0.768 332 A CB -0.431 18.542 19.000 -0.046 0.000 0.790 332 A HN 0.452 nan 8.150 nan 0.000 0.478 333 A N -0.269 122.240 122.820 -0.519 0.000 2.687 333 A HA -0.182 4.139 4.320 0.001 0.000 0.299 333 A C 0.180 177.324 177.584 -0.732 0.000 1.497 333 A CA 0.913 52.210 52.037 -1.233 0.000 0.751 333 A CB -2.291 16.215 19.000 -0.823 0.000 1.048 333 A HN 0.654 nan 8.150 nan 0.000 0.464 334 N N -0.521 117.929 118.700 -0.417 0.000 2.682 334 N HA 0.399 5.140 4.740 0.001 0.000 0.252 334 N C -1.850 173.622 175.510 -0.063 0.000 1.081 334 N CA -1.654 51.294 53.050 -0.170 0.000 0.844 334 N CB 1.306 39.731 38.487 -0.103 0.000 1.167 334 N HN 0.043 nan 8.380 nan 0.000 0.523 335 P HA -0.145 nan 4.420 nan 0.000 0.213 335 P C 1.383 178.678 177.300 -0.009 0.000 1.176 335 P CA 1.307 64.450 63.100 0.073 0.000 0.919 335 P CB 0.320 32.080 31.700 0.100 0.000 0.791 336 c N -1.032 117.572 118.600 0.007 0.000 2.398 336 c HA -0.122 4.448 4.570 0.001 0.000 0.276 336 c C 2.935 177.073 174.090 0.080 0.000 1.222 336 c CA 1.670 58.045 56.329 0.077 0.000 1.746 336 c CB -2.089 40.489 42.510 0.113 0.000 2.039 336 c HN 0.357 nan 8.230 nan 0.000 0.470 337 G N -0.881 107.931 108.800 0.019 0.000 2.453 337 G HA2 -0.301 3.659 3.960 0.001 0.000 0.215 337 G HA3 -0.301 3.659 3.960 0.001 0.000 0.215 337 G C 1.499 176.322 174.900 -0.128 0.000 1.201 337 G CA 1.039 46.121 45.100 -0.030 0.000 0.784 337 G HN 0.679 nan 8.290 nan 0.000 0.545 338 Q N 0.061 119.797 119.800 -0.106 0.000 2.014 338 Q HA -0.154 4.186 4.340 0.001 0.000 0.207 338 Q C 2.635 178.513 176.000 -0.203 0.000 0.993 338 Q CA 1.754 57.482 55.803 -0.124 0.000 0.850 338 Q CB -0.300 28.404 28.738 -0.056 0.000 0.916 338 Q HN 0.548 nan 8.270 nan 0.000 0.417 339 I N 0.570 121.015 120.570 -0.208 0.000 2.118 339 I HA -0.264 3.907 4.170 0.001 0.000 0.241 339 I C 2.488 178.234 176.117 -0.618 0.000 1.070 339 I CA 1.334 62.468 61.300 -0.277 0.000 1.327 339 I CB -1.071 36.809 38.000 -0.200 0.000 1.034 339 I HN 0.468 nan 8.210 nan 0.000 0.405 340 G N 0.531 108.678 108.800 -1.089 0.000 2.469 340 G HA2 -0.258 3.703 3.960 0.001 0.000 0.220 340 G HA3 -0.258 3.703 3.960 0.001 0.000 0.220 340 G C 1.530 175.856 174.900 -0.957 0.000 1.136 340 G CA 0.722 44.644 45.100 -1.962 0.000 0.759 340 G HN 0.329 nan 8.290 nan 0.000 0.562 341 E N 0.411 120.277 120.200 -0.557 0.000 2.106 341 E HA -0.074 4.277 4.350 0.001 0.000 0.192 341 E C 2.830 179.246 176.600 -0.307 0.000 0.984 341 E CA 1.386 57.582 56.400 -0.339 0.000 0.806 341 E CB -0.811 28.755 29.700 -0.223 0.000 0.750 341 E HN 0.415 nan 8.360 nan 0.000 0.458 342 T N 0.988 115.353 114.554 -0.316 0.000 2.821 342 T HA -0.072 4.278 4.350 0.001 0.000 0.267 342 T C 2.177 176.646 174.700 -0.384 0.000 1.046 342 T CA 0.991 62.907 62.100 -0.305 0.000 1.139 342 T CB -0.237 68.486 68.868 -0.242 0.000 0.871 342 T HN -0.037 nan 8.240 nan 0.000 0.454 343 V N 1.955 121.649 119.914 -0.367 0.000 2.358 343 V HA -0.169 3.952 4.120 0.001 0.000 0.246 343 V C 2.495 178.447 176.094 -0.238 0.000 1.047 343 V CA 1.889 64.028 62.300 -0.269 0.000 1.035 343 V CB -0.628 31.072 31.823 -0.204 0.000 0.658 343 V HN 0.444 nan 8.190 nan 0.000 0.452 344 D N -0.027 120.215 120.400 -0.264 0.000 2.104 344 D HA -0.201 4.440 4.640 0.001 0.000 0.194 344 D C 1.947 178.138 176.300 -0.182 0.000 0.994 344 D CA 1.501 55.387 54.000 -0.191 0.000 0.830 344 D CB -0.166 40.517 40.800 -0.196 0.000 0.959 344 D HN 0.300 nan 8.370 nan 0.000 0.452 345 L N 0.496 121.586 121.223 -0.222 0.000 2.056 345 L HA -0.064 4.276 4.340 0.001 0.000 0.207 345 L C 1.773 178.498 176.870 -0.243 0.000 1.078 345 L CA 2.085 56.796 54.840 -0.216 0.000 0.749 345 L CB -1.005 40.918 42.059 -0.226 0.000 0.901 345 L HN 0.037 nan 8.230 nan 0.000 0.433 346 D N -0.637 119.561 120.400 -0.337 0.000 2.116 346 D HA -0.267 4.373 4.640 0.001 0.000 0.193 346 D C 1.990 178.168 176.300 -0.203 0.000 0.998 346 D CA 1.764 55.542 54.000 -0.370 0.000 0.836 346 D CB -0.042 40.415 40.800 -0.573 0.000 0.951 346 D HN 0.539 nan 8.370 nan 0.000 0.449 347 E N -0.383 119.726 120.200 -0.152 0.000 2.070 347 E HA -0.240 4.111 4.350 0.001 0.000 0.197 347 E C 2.138 178.685 176.600 -0.089 0.000 1.004 347 E CA 1.168 57.516 56.400 -0.087 0.000 0.805 347 E CB -0.238 29.425 29.700 -0.062 0.000 0.744 347 E HN 0.425 nan 8.360 nan 0.000 0.451 348 A N 0.588 123.341 122.820 -0.111 0.000 1.877 348 A HA -0.155 4.165 4.320 0.001 0.000 0.216 348 A C 2.463 179.987 177.584 -0.099 0.000 1.186 348 A CA 1.320 53.295 52.037 -0.103 0.000 0.620 348 A CB -0.680 18.251 19.000 -0.115 0.000 0.822 348 A HN 0.149 nan 8.150 nan 0.000 0.443 349 V N -0.015 119.827 119.914 -0.121 0.000 2.568 349 V HA -0.324 3.796 4.120 0.001 0.000 0.253 349 V C 2.595 178.638 176.094 -0.085 0.000 1.072 349 V CA 2.234 64.466 62.300 -0.113 0.000 1.084 349 V CB -0.905 30.827 31.823 -0.152 0.000 0.676 349 V HN 0.624 nan 8.190 nan 0.000 0.469 350 Q N -0.577 119.175 119.800 -0.080 0.000 2.016 350 Q HA -0.193 4.148 4.340 0.001 0.000 0.200 350 Q C 2.569 178.552 176.000 -0.028 0.000 0.978 350 Q CA 1.351 57.123 55.803 -0.052 0.000 0.833 350 Q CB -0.156 28.560 28.738 -0.038 0.000 0.895 350 Q HN 0.341 nan 8.270 nan 0.000 0.427 351 R N 0.430 120.912 120.500 -0.029 0.000 2.139 351 R HA -0.129 4.212 4.340 0.001 0.000 0.243 351 R C 1.853 178.164 176.300 0.020 0.000 1.145 351 R CA 1.479 57.574 56.100 -0.009 0.000 0.976 351 R CB -0.765 29.516 30.300 -0.031 0.000 0.866 351 R HN 0.331 nan 8.270 nan 0.000 0.449 352 A N -0.489 122.330 122.820 -0.002 0.000 1.929 352 A HA -0.049 4.271 4.320 0.001 0.000 0.216 352 A C 1.853 179.503 177.584 0.109 0.000 1.176 352 A CA 0.795 52.854 52.037 0.038 0.000 0.628 352 A CB -0.318 18.675 19.000 -0.011 0.000 0.816 352 A HN 0.171 nan 8.150 nan 0.000 0.444 353 L N 0.029 121.268 121.223 0.027 0.000 2.056 353 L HA -0.112 4.228 4.340 0.001 0.000 0.207 353 L C 2.273 179.138 176.870 -0.008 0.000 1.078 353 L CA 1.987 56.804 54.840 -0.039 0.000 0.749 353 L CB -1.108 40.873 42.059 -0.129 0.000 0.901 353 L HN 0.479 nan 8.230 nan 0.000 0.433 354 E N -1.369 118.847 120.200 0.026 0.000 2.070 354 E HA -0.312 4.038 4.350 0.001 0.000 0.197 354 E C 2.070 178.723 176.600 0.088 0.000 1.004 354 E CA 1.924 58.347 56.400 0.040 0.000 0.805 354 E CB -0.295 29.433 29.700 0.048 0.000 0.744 354 E HN 0.427 nan 8.360 nan 0.000 0.451 355 F N 0.856 120.815 119.950 0.015 0.000 2.128 355 F HA -0.071 4.456 4.527 0.001 0.000 0.295 355 F C 2.106 177.950 175.800 0.073 0.000 1.100 355 F CA 1.285 59.315 58.000 0.051 0.000 1.260 355 F CB -0.486 38.559 39.000 0.075 0.000 1.009 355 F HN -0.021 nan 8.300 nan 0.000 0.476 356 A N 0.561 123.560 122.820 0.299 0.000 1.927 356 A HA -0.300 4.021 4.320 0.001 0.000 0.220 356 A C 2.165 179.820 177.584 0.117 0.000 1.185 356 A CA 2.399 54.581 52.037 0.241 0.000 0.639 356 A CB -0.804 18.407 19.000 0.352 0.000 0.820 356 A HN 0.511 nan 8.150 nan 0.000 0.451 357 K N -0.636 119.790 120.400 0.042 0.000 2.155 357 K HA -0.029 4.291 4.320 0.001 0.000 0.203 357 K C 2.183 178.759 176.600 -0.039 0.000 1.052 357 K CA 1.271 57.580 56.287 0.037 0.000 0.948 357 K CB -0.059 32.428 32.500 -0.022 0.000 0.728 357 K HN 0.471 nan 8.250 nan 0.000 0.448 358 K N 0.988 121.315 120.400 -0.120 0.000 2.031 358 K HA -0.148 4.173 4.320 0.001 0.000 0.205 358 K C 2.101 178.575 176.600 -0.210 0.000 1.049 358 K CA 1.204 57.401 56.287 -0.150 0.000 0.939 358 K CB 0.135 32.543 32.500 -0.154 0.000 0.717 358 K HN 0.049 nan 8.250 nan 0.000 0.438 359 E N -0.203 119.757 120.200 -0.401 0.000 2.028 359 E HA -0.148 4.203 4.350 0.001 0.000 0.191 359 E C 1.157 177.644 176.600 -0.187 0.000 0.988 359 E CA 1.625 57.793 56.400 -0.387 0.000 0.799 359 E CB 0.052 29.302 29.700 -0.750 0.000 0.755 359 E HN 0.586 nan 8.360 nan 0.000 0.447 360 G N 0.715 109.431 108.800 -0.139 0.000 2.195 360 G HA2 -0.221 3.740 3.960 0.001 0.000 0.246 360 G HA3 -0.221 3.740 3.960 0.001 0.000 0.246 360 G C 0.459 175.324 174.900 -0.058 0.000 0.984 360 G CA 0.428 45.491 45.100 -0.063 0.000 0.633 360 G HN 0.342 nan 8.290 nan 0.000 0.525 361 N N 0.925 119.590 118.700 -0.057 0.000 2.517 361 N HA 0.202 4.943 4.740 0.001 0.000 0.285 361 N C -0.445 175.049 175.510 -0.026 0.000 1.528 361 N CA 0.255 53.279 53.050 -0.042 0.000 0.892 361 N CB 1.166 39.631 38.487 -0.036 0.000 1.356 361 N HN 0.307 nan 8.380 nan 0.000 0.495 362 T N 1.136 115.692 114.554 0.004 0.000 2.888 362 T HA 0.447 4.798 4.350 0.001 0.000 0.284 362 T C -0.481 174.244 174.700 0.042 0.000 1.017 362 T CA -0.488 61.647 62.100 0.058 0.000 1.022 362 T CB 2.175 71.180 68.868 0.228 0.000 1.013 362 T HN 0.016 nan 8.240 nan 0.000 0.465 363 L N 3.524 124.770 121.223 0.037 0.000 2.325 363 L HA 0.700 5.041 4.340 0.001 0.000 0.281 363 L C -1.171 175.736 176.870 0.062 0.000 1.004 363 L CA -0.607 54.252 54.840 0.031 0.000 0.823 363 L CB 1.056 43.126 42.059 0.018 0.000 1.236 363 L HN 0.444 nan 8.230 nan 0.000 0.415 364 V N 6.530 126.510 119.914 0.111 0.000 2.459 364 V HA 0.571 4.691 4.120 0.001 0.000 0.295 364 V C 0.054 176.174 176.094 0.043 0.000 1.029 364 V CA -0.458 61.898 62.300 0.092 0.000 0.874 364 V CB 1.511 33.425 31.823 0.153 0.000 0.985 364 V HN 0.641 nan 8.190 nan 0.000 0.438 365 I N 4.478 125.031 120.570 -0.027 0.000 2.533 365 I HA 0.601 4.771 4.170 0.001 0.000 0.290 365 I C -1.020 175.021 176.117 -0.126 0.000 1.056 365 I CA -0.860 60.396 61.300 -0.073 0.000 1.057 365 I CB 2.367 40.312 38.000 -0.093 0.000 1.240 365 I HN 0.286 nan 8.210 nan 0.000 0.423 366 V N 4.291 124.122 119.914 -0.138 0.000 2.588 366 V HA 0.773 4.893 4.120 0.001 0.000 0.304 366 V C -0.184 175.782 176.094 -0.213 0.000 1.042 366 V CA -0.288 61.908 62.300 -0.172 0.000 0.877 366 V CB 1.945 33.681 31.823 -0.145 0.000 0.996 366 V HN 0.911 nan 8.190 nan 0.000 0.425 367 T N 2.394 116.797 114.554 -0.252 0.000 2.658 367 T HA 0.773 5.123 4.350 0.001 0.000 0.305 367 T C -1.340 173.220 174.700 -0.233 0.000 1.551 367 T CA 0.425 62.361 62.100 -0.274 0.000 0.985 367 T CB 1.672 70.281 68.868 -0.432 0.000 1.731 367 T HN 1.200 nan 8.240 nan 0.000 0.486 368 A N 0.389 123.108 122.820 -0.169 0.000 2.344 368 A HA 0.717 5.037 4.320 0.001 0.000 0.307 368 A C 0.664 178.181 177.584 -0.111 0.000 1.151 368 A CA 0.184 52.119 52.037 -0.168 0.000 0.842 368 A CB 0.998 19.890 19.000 -0.180 0.000 1.350 368 A HN 0.902 nan 8.150 nan 0.000 0.459 369 D N -0.876 119.383 120.400 -0.235 0.000 2.183 369 D HA 0.110 4.750 4.640 0.001 0.000 0.205 369 D C 0.514 176.607 176.300 -0.345 0.000 0.962 369 D CA 1.907 55.859 54.000 -0.080 0.000 0.849 369 D CB -0.318 40.515 40.800 0.055 0.000 0.978 369 D HN 0.776 nan 8.370 nan 0.000 0.488 370 H N -2.038 116.813 119.070 -0.366 0.000 2.918 370 H HA 0.734 5.291 4.556 0.001 0.000 0.303 370 H C -1.304 173.823 175.328 -0.336 0.000 1.380 370 H CA -0.991 54.612 56.048 -0.741 0.000 1.134 370 H CB 0.715 30.173 29.762 -0.506 0.000 1.842 370 H HN 0.083 nan 8.280 nan 0.000 0.533 371 A N 0.343 123.207 122.820 0.073 0.000 2.286 371 A HA 0.477 4.798 4.320 0.001 0.000 0.286 371 A C -0.444 177.293 177.584 0.256 0.000 1.097 371 A CA -0.242 51.902 52.037 0.179 0.000 0.821 371 A CB 0.340 19.479 19.000 0.233 0.000 1.076 371 A HN 0.758 nan 8.150 nan 0.000 0.490 372 H N -0.340 118.817 119.070 0.145 0.000 3.513 372 H HA 0.672 5.229 4.556 0.001 0.000 0.278 372 H C 1.293 176.680 175.328 0.097 0.000 1.683 372 H CA 0.238 56.370 56.048 0.140 0.000 1.552 372 H CB 1.693 31.512 29.762 0.096 0.000 1.474 372 H HN 0.580 nan 8.280 nan 0.000 0.870 373 A N 0.170 123.311 122.820 0.535 0.000 1.903 373 A HA 0.010 4.331 4.320 0.001 0.000 0.213 373 A C 0.904 178.502 177.584 0.024 0.000 1.185 373 A CA 0.881 53.077 52.037 0.266 0.000 0.628 373 A CB -0.810 18.403 19.000 0.355 0.000 0.830 373 A HN 0.588 nan 8.150 nan 0.000 0.446 374 S N 0.350 115.987 115.700 -0.105 0.000 2.558 374 S HA 0.280 4.750 4.470 0.001 0.000 0.293 374 S C -0.335 174.133 174.600 -0.221 0.000 1.292 374 S CA -0.078 57.880 58.200 -0.403 0.000 1.063 374 S CB 0.250 63.227 63.200 -0.372 0.000 0.831 374 S HN 0.501 nan 8.310 nan 0.000 0.499 375 Q N 1.874 121.512 119.800 -0.270 0.000 2.347 375 Q HA 0.472 4.813 4.340 0.001 0.000 0.271 375 Q C -1.006 174.930 176.000 -0.106 0.000 1.064 375 Q CA -0.564 55.161 55.803 -0.129 0.000 0.800 375 Q CB 2.149 30.837 28.738 -0.083 0.000 1.304 375 Q HN 0.766 nan 8.270 nan 0.000 0.438 376 I N 3.356 123.896 120.570 -0.050 0.000 2.347 376 I HA 0.130 4.300 4.170 0.001 0.000 0.294 376 I C 0.314 176.423 176.117 -0.013 0.000 1.090 376 I CA -0.437 60.850 61.300 -0.022 0.000 1.314 376 I CB -0.066 37.936 38.000 0.002 0.000 1.423 376 I HN 0.308 nan 8.210 nan 0.000 0.503 377 V N 3.182 123.089 119.914 -0.012 0.000 3.267 377 V HA 0.820 4.940 4.120 0.001 0.000 0.317 377 V C 0.542 176.639 176.094 0.005 0.000 1.131 377 V CA -1.111 61.188 62.300 -0.003 0.000 1.031 377 V CB 1.328 33.148 31.823 -0.003 0.000 1.159 377 V HN 0.666 nan 8.190 nan 0.000 0.454 378 A N 0.300 123.122 122.820 0.005 0.000 2.388 378 A HA 0.581 4.902 4.320 0.001 0.000 0.257 378 A C -1.258 176.329 177.584 0.005 0.000 1.095 378 A CA -1.167 50.873 52.037 0.005 0.000 0.791 378 A CB -0.062 18.939 19.000 0.002 0.000 1.029 378 A HN 0.796 nan 8.150 nan 0.000 0.489 379 P HA -0.212 nan 4.420 nan 0.000 0.218 379 P C 0.527 177.825 177.300 -0.003 0.000 1.152 379 P CA 1.960 65.063 63.100 0.006 0.000 0.857 379 P CB 0.115 31.818 31.700 0.004 0.000 0.787 380 D N -3.084 117.310 120.400 -0.009 0.000 2.427 380 D HA 0.018 4.659 4.640 0.001 0.000 0.224 380 D C -0.243 176.042 176.300 -0.025 0.000 1.157 380 D CA 0.057 54.044 54.000 -0.021 0.000 0.828 380 D CB -0.817 39.971 40.800 -0.021 0.000 0.974 380 D HN 0.006 nan 8.370 nan 0.000 0.498 381 T N 1.128 115.674 114.554 -0.013 0.000 2.916 381 T HA 0.028 4.379 4.350 0.001 0.000 0.303 381 T C 0.261 174.949 174.700 -0.021 0.000 1.025 381 T CA 0.038 62.133 62.100 -0.008 0.000 1.142 381 T CB 1.499 70.370 68.868 0.005 0.000 0.947 381 T HN 0.044 nan 8.240 nan 0.000 0.544 382 K N 2.281 122.668 120.400 -0.021 0.000 2.423 382 K HA 0.536 4.856 4.320 0.001 0.000 0.234 382 K C -0.374 176.251 176.600 0.042 0.000 1.051 382 K CA -0.459 55.802 56.287 -0.044 0.000 1.021 382 K CB 0.283 32.736 32.500 -0.078 0.000 1.474 382 K HN 0.723 nan 8.250 nan 0.000 0.474 383 A N 3.159 126.025 122.820 0.077 0.000 2.279 383 A HA 0.469 4.790 4.320 0.001 0.000 0.303 383 A C -1.659 176.011 177.584 0.142 0.000 1.108 383 A CA -1.196 50.900 52.037 0.099 0.000 0.830 383 A CB 0.362 19.409 19.000 0.078 0.000 1.106 383 A HN 0.564 nan 8.150 nan 0.000 0.493 384 P HA 0.074 nan 4.420 nan 0.000 0.230 384 P C 0.912 178.371 177.300 0.266 0.000 1.168 384 P CA 1.219 64.464 63.100 0.242 0.000 0.793 384 P CB 0.304 32.094 31.700 0.150 0.000 0.851 385 G N 0.541 109.459 108.800 0.197 0.000 2.882 385 G HA2 0.513 4.473 3.960 0.001 0.000 0.164 385 G HA3 0.513 4.473 3.960 0.001 0.000 0.164 385 G C -0.628 174.403 174.900 0.218 0.000 1.429 385 G CA -0.609 44.607 45.100 0.194 0.000 1.059 385 G HN 0.051 nan 8.290 nan 0.000 0.581 386 L N 1.310 122.660 121.223 0.210 0.000 2.272 386 L HA 0.507 4.847 4.340 0.001 0.000 0.289 386 L C 0.482 177.501 176.870 0.249 0.000 1.032 386 L CA -0.636 54.331 54.840 0.212 0.000 0.810 386 L CB 1.478 43.651 42.059 0.190 0.000 1.205 386 L HN 0.683 nan 8.230 nan 0.000 0.422 387 T N 0.335 114.996 114.554 0.178 0.000 2.888 387 T HA 0.684 5.035 4.350 0.001 0.000 0.288 387 T C -0.819 173.966 174.700 0.142 0.000 1.063 387 T CA -0.804 61.389 62.100 0.155 0.000 1.010 387 T CB 2.549 71.471 68.868 0.090 0.000 1.214 387 T HN 0.629 nan 8.240 nan 0.000 0.533 388 Q N -0.253 119.621 119.800 0.123 0.000 2.593 388 Q HA 0.511 4.851 4.340 0.001 0.000 0.242 388 Q C -1.929 174.126 176.000 0.093 0.000 0.944 388 Q CA -0.747 55.119 55.803 0.105 0.000 1.041 388 Q CB 1.472 30.282 28.738 0.120 0.000 1.588 388 Q HN 1.223 nan 8.270 nan 0.000 0.464 389 A N 3.723 126.588 122.820 0.075 0.000 2.331 389 A HA 0.748 5.069 4.320 0.001 0.000 0.283 389 A C -1.108 176.533 177.584 0.094 0.000 1.142 389 A CA -0.206 51.875 52.037 0.073 0.000 0.812 389 A CB 0.455 19.486 19.000 0.052 0.000 1.074 389 A HN 0.560 nan 8.150 nan 0.000 0.497 390 L N 1.836 123.131 121.223 0.120 0.000 2.354 390 L HA 0.356 4.697 4.340 0.001 0.000 0.269 390 L C -0.136 176.831 176.870 0.161 0.000 1.005 390 L CA -0.310 54.638 54.840 0.180 0.000 0.819 390 L CB 2.213 44.439 42.059 0.278 0.000 1.311 390 L HN 0.777 nan 8.230 nan 0.000 0.423 391 N N 0.273 119.065 118.700 0.154 0.000 2.414 391 N HA 0.412 5.153 4.740 0.001 0.000 0.256 391 N C -0.397 175.077 175.510 -0.059 0.000 1.029 391 N CA -0.403 52.675 53.050 0.046 0.000 0.948 391 N CB 1.111 39.608 38.487 0.018 0.000 1.102 391 N HN 0.699 nan 8.380 nan 0.000 0.496 392 T N -0.963 113.525 114.554 -0.109 0.000 2.897 392 T HA 0.222 4.572 4.350 0.001 0.000 0.278 392 T C 1.260 175.791 174.700 -0.282 0.000 0.981 392 T CA -0.653 61.279 62.100 -0.281 0.000 0.973 392 T CB 1.410 70.217 68.868 -0.102 0.000 1.092 392 T HN 0.335 nan 8.240 nan 0.000 0.543 393 K N 0.218 120.424 120.400 -0.322 0.000 2.228 393 K HA -0.154 4.166 4.320 0.001 0.000 0.205 393 K C 1.282 177.806 176.600 -0.127 0.000 1.045 393 K CA 1.923 58.083 56.287 -0.212 0.000 0.931 393 K CB -0.561 31.841 32.500 -0.162 0.000 0.727 393 K HN 0.626 nan 8.250 nan 0.000 0.458 394 D N -0.915 119.423 120.400 -0.103 0.000 2.349 394 D HA 0.075 4.716 4.640 0.001 0.000 0.224 394 D C 0.861 177.126 176.300 -0.058 0.000 1.029 394 D CA 0.985 54.945 54.000 -0.066 0.000 0.879 394 D CB 0.224 40.994 40.800 -0.049 0.000 0.906 394 D HN 0.467 nan 8.370 nan 0.000 0.528 395 G N 0.541 109.298 108.800 -0.071 0.000 2.155 395 G HA2 -0.207 3.753 3.960 0.001 0.000 0.257 395 G HA3 -0.207 3.753 3.960 0.001 0.000 0.257 395 G C 0.438 175.316 174.900 -0.036 0.000 0.983 395 G CA 0.387 45.455 45.100 -0.053 0.000 0.676 395 G HN 0.638 nan 8.290 nan 0.000 0.528 396 A N -0.998 121.802 122.820 -0.034 0.000 2.299 396 A HA 0.888 5.209 4.320 0.001 0.000 0.332 396 A C 0.297 177.880 177.584 -0.002 0.000 1.131 396 A CA -0.169 51.859 52.037 -0.015 0.000 0.844 396 A CB 1.847 20.840 19.000 -0.012 0.000 1.251 396 A HN 1.050 nan 8.150 nan 0.000 0.486 397 V N 1.635 121.555 119.914 0.010 0.000 2.686 397 V HA 0.485 4.606 4.120 0.001 0.000 0.295 397 V C 0.190 176.307 176.094 0.038 0.000 1.057 397 V CA -0.071 62.246 62.300 0.029 0.000 1.012 397 V CB 1.357 33.196 31.823 0.026 0.000 1.006 397 V HN 0.904 nan 8.190 nan 0.000 0.477 398 M N 4.744 124.382 119.600 0.064 0.000 2.267 398 M HA 0.562 5.043 4.480 0.001 0.000 0.289 398 M C -1.861 174.481 176.300 0.071 0.000 1.043 398 M CA -0.470 54.870 55.300 0.066 0.000 0.928 398 M CB 1.848 34.503 32.600 0.092 0.000 1.613 398 M HN 0.389 nan 8.290 nan 0.000 0.450 399 V N 6.066 126.009 119.914 0.048 0.000 2.394 399 V HA 0.477 4.598 4.120 0.001 0.000 0.282 399 V C 0.044 176.155 176.094 0.028 0.000 1.031 399 V CA -0.376 61.950 62.300 0.044 0.000 0.881 399 V CB 1.515 33.356 31.823 0.031 0.000 0.982 399 V HN 0.914 nan 8.190 nan 0.000 0.451 400 M N 3.501 123.123 119.600 0.037 0.000 2.472 400 M HA 0.520 5.000 4.480 0.001 0.000 0.331 400 M C -0.191 176.077 176.300 -0.052 0.000 1.170 400 M CA -0.136 55.151 55.300 -0.022 0.000 1.009 400 M CB 2.009 34.625 32.600 0.026 0.000 1.672 400 M HN 0.648 nan 8.290 nan 0.000 0.453 401 S N 2.153 117.712 115.700 -0.234 0.000 2.557 401 S HA 0.652 5.123 4.470 0.001 0.000 0.291 401 S C -1.876 172.465 174.600 -0.431 0.000 1.116 401 S CA -0.526 57.561 58.200 -0.189 0.000 0.992 401 S CB 0.820 63.979 63.200 -0.068 0.000 1.028 401 S HN 0.527 nan 8.310 nan 0.000 0.484 402 Y N 2.282 122.612 120.300 0.050 0.000 2.447 402 Y HA 0.597 5.147 4.550 0.001 0.000 0.325 402 Y C 0.890 176.829 175.900 0.065 0.000 0.976 402 Y CA -0.711 57.421 58.100 0.055 0.000 1.280 402 Y CB 2.007 40.494 38.460 0.046 0.000 1.104 402 Y HN 0.858 nan 8.280 nan 0.000 0.486 403 G N 2.428 111.319 108.800 0.152 0.000 4.876 403 G HA2 0.039 3.999 3.960 0.001 0.000 0.219 403 G HA3 0.039 3.999 3.960 0.001 0.000 0.219 403 G C -0.330 174.629 174.900 0.100 0.000 0.877 403 G CA -0.663 44.512 45.100 0.126 0.000 0.718 403 G HN 0.552 nan 8.290 nan 0.000 0.518 404 N N -0.790 117.976 118.700 0.111 0.000 2.299 404 N HA 0.280 5.021 4.740 0.001 0.000 0.246 404 N C -0.342 175.220 175.510 0.085 0.000 1.254 404 N CA -0.340 52.764 53.050 0.091 0.000 0.879 404 N CB 1.121 39.665 38.487 0.095 0.000 1.214 404 N HN 0.138 nan 8.380 nan 0.000 0.510 405 S N -0.553 115.199 115.700 0.087 0.000 2.579 405 S HA 0.239 4.709 4.470 0.001 0.000 0.290 405 S C -0.635 174.000 174.600 0.058 0.000 1.123 405 S CA -0.504 57.738 58.200 0.070 0.000 0.894 405 S CB 0.933 64.181 63.200 0.080 0.000 1.095 405 S HN 0.170 nan 8.310 nan 0.000 0.450 406 E N 1.138 121.360 120.200 0.036 0.000 2.415 406 E HA 0.103 4.453 4.350 0.001 0.000 0.197 406 E C -0.154 176.455 176.600 0.014 0.000 1.007 406 E CA -0.077 56.334 56.400 0.018 0.000 0.890 406 E CB 0.236 29.938 29.700 0.003 0.000 0.891 406 E HN 0.559 nan 8.360 nan 0.000 0.496 407 E N 1.979 122.192 120.200 0.021 0.000 2.404 407 E HA -0.080 4.270 4.350 0.001 0.000 0.261 407 E C 0.607 177.220 176.600 0.023 0.000 1.074 407 E CA 0.156 56.565 56.400 0.015 0.000 0.917 407 E CB 0.384 30.094 29.700 0.017 0.000 0.965 407 E HN 0.241 nan 8.360 nan 0.000 0.433 408 D N 0.038 120.446 120.400 0.012 0.000 2.392 408 D HA -0.125 4.516 4.640 0.001 0.000 0.228 408 D C -0.003 176.315 176.300 0.030 0.000 1.003 408 D CA 0.274 54.282 54.000 0.013 0.000 0.917 408 D CB 0.251 41.051 40.800 -0.000 0.000 0.890 408 D HN 0.066 nan 8.370 nan 0.000 0.532 409 S N 0.330 116.062 115.700 0.053 0.000 2.498 409 S HA 0.162 4.632 4.470 0.001 0.000 0.317 409 S C -0.342 174.364 174.600 0.177 0.000 1.090 409 S CA -0.770 57.496 58.200 0.110 0.000 1.089 409 S CB 1.301 64.546 63.200 0.075 0.000 0.997 409 S HN -0.008 nan 8.310 nan 0.000 0.470 410 Q N 3.221 123.152 119.800 0.217 0.000 2.332 410 Q HA 0.234 4.575 4.340 0.001 0.000 0.263 410 Q C 0.160 176.343 176.000 0.305 0.000 0.979 410 Q CA 0.393 56.339 55.803 0.238 0.000 0.885 410 Q CB 0.656 29.540 28.738 0.244 0.000 1.218 410 Q HN 0.705 nan 8.270 nan 0.000 0.405 411 E N 1.259 121.577 120.200 0.198 0.000 2.349 411 E HA 0.138 4.488 4.350 0.001 0.000 0.262 411 E C -0.323 176.256 176.600 -0.035 0.000 1.088 411 E CA -0.370 56.072 56.400 0.069 0.000 0.899 411 E CB 0.705 30.425 29.700 0.034 0.000 1.044 411 E HN 0.484 nan 8.360 nan 0.000 0.420 412 H N -0.106 118.763 119.070 -0.336 0.000 2.730 412 H HA 0.106 4.663 4.556 0.001 0.000 0.376 412 H C 0.347 175.589 175.328 -0.142 0.000 1.299 412 H CA -0.064 55.682 56.048 -0.502 0.000 1.447 412 H CB 0.778 30.174 29.762 -0.611 0.000 1.493 412 H HN 0.463 nan 8.280 nan 0.000 0.619 413 T N -2.072 112.550 114.554 0.113 0.000 2.901 413 T HA 0.371 4.722 4.350 0.001 0.000 0.293 413 T C 1.006 175.837 174.700 0.218 0.000 1.084 413 T CA -0.535 61.652 62.100 0.146 0.000 1.008 413 T CB 1.653 70.603 68.868 0.137 0.000 1.170 413 T HN 0.614 nan 8.240 nan 0.000 0.509 414 G N 0.240 109.161 108.800 0.201 0.000 3.042 414 G HA2 0.225 4.186 3.960 0.001 0.000 0.212 414 G HA3 0.225 4.186 3.960 0.001 0.000 0.212 414 G C 0.621 175.624 174.900 0.172 0.000 1.166 414 G CA 0.028 45.265 45.100 0.229 0.000 0.767 414 G HN 0.884 nan 8.290 nan 0.000 0.546 415 S N 0.526 116.342 115.700 0.194 0.000 2.558 415 S HA 0.141 4.611 4.470 0.001 0.000 0.287 415 S C 0.891 175.644 174.600 0.254 0.000 1.321 415 S CA -0.387 57.914 58.200 0.168 0.000 1.048 415 S CB 0.342 63.634 63.200 0.153 0.000 0.844 415 S HN 0.622 nan 8.310 nan 0.000 0.512 416 Q N 2.785 122.683 119.800 0.162 0.000 2.394 416 Q HA 0.500 4.841 4.340 0.001 0.000 0.248 416 Q C -0.472 175.687 176.000 0.266 0.000 0.992 416 Q CA -0.564 55.365 55.803 0.210 0.000 0.888 416 Q CB 0.407 29.231 28.738 0.143 0.000 1.257 416 Q HN 0.557 nan 8.270 nan 0.000 0.462 417 L N -1.919 119.504 121.223 0.333 0.000 2.409 417 L HA 0.605 4.945 4.340 0.001 0.000 0.255 417 L C -0.442 176.499 176.870 0.119 0.000 1.027 417 L CA -1.393 53.575 54.840 0.213 0.000 0.834 417 L CB 1.697 43.872 42.059 0.193 0.000 1.426 417 L HN 0.756 nan 8.230 nan 0.000 0.411 418 R N 1.198 121.712 120.500 0.023 0.000 2.638 418 R HA 0.434 4.774 4.340 0.001 0.000 0.268 418 R C -0.949 175.230 176.300 -0.202 0.000 1.006 418 R CA 0.285 56.350 56.100 -0.057 0.000 1.088 418 R CB 0.299 30.576 30.300 -0.038 0.000 0.950 418 R HN 0.892 nan 8.270 nan 0.000 0.419 419 I N 3.291 123.732 120.570 -0.217 0.000 2.560 419 I HA 0.402 4.573 4.170 0.001 0.000 0.283 419 I C -1.401 174.620 176.117 -0.159 0.000 1.115 419 I CA -0.353 60.764 61.300 -0.306 0.000 1.066 419 I CB 1.482 39.162 38.000 -0.533 0.000 1.221 419 I HN 0.785 nan 8.210 nan 0.000 0.450 420 A N 5.644 128.390 122.820 -0.123 0.000 2.320 420 A HA 0.997 5.318 4.320 0.001 0.000 0.334 420 A C -0.655 176.905 177.584 -0.040 0.000 1.147 420 A CA -0.104 51.900 52.037 -0.055 0.000 0.820 420 A CB 1.559 20.543 19.000 -0.028 0.000 1.218 420 A HN 1.031 nan 8.150 nan 0.000 0.482 421 A N 0.088 122.914 122.820 0.009 0.000 2.594 421 A HA 0.777 5.097 4.320 0.001 0.000 0.291 421 A C -1.558 176.096 177.584 0.117 0.000 1.105 421 A CA -0.402 51.658 52.037 0.038 0.000 0.694 421 A CB 1.199 20.203 19.000 0.008 0.000 1.291 421 A HN 1.850 nan 8.150 nan 0.000 0.410 422 Y N 0.046 120.342 120.300 -0.005 0.000 2.513 422 Y HA 0.588 5.139 4.550 0.001 0.000 0.340 422 Y C 0.288 176.195 175.900 0.011 0.000 1.055 422 Y CA 0.560 58.663 58.100 0.005 0.000 1.020 422 Y CB 1.588 40.054 38.460 0.010 0.000 1.301 422 Y HN 2.426 nan 8.280 nan 0.000 0.453 423 G N 3.824 112.049 108.800 -0.958 0.000 2.548 423 G HA2 -0.147 3.813 3.960 0.001 0.000 0.208 423 G HA3 -0.147 3.813 3.960 0.001 0.000 0.208 423 G C -3.047 171.679 174.900 -0.289 0.000 1.308 423 G CA -0.878 43.829 45.100 -0.655 0.000 0.924 423 G HN 0.590 nan 8.290 nan 0.000 0.540 424 P HA 0.253 nan 4.420 nan 0.000 0.264 424 P C 0.319 177.643 177.300 0.040 0.000 1.193 424 P CA 1.009 64.062 63.100 -0.079 0.000 0.763 424 P CB -0.028 31.689 31.700 0.028 0.000 0.810 425 H N 0.926 119.954 119.070 -0.070 0.000 3.047 425 H HA -0.235 4.322 4.556 0.001 0.000 0.263 425 H C 1.175 176.478 175.328 -0.043 0.000 1.168 425 H CA 0.780 56.801 56.048 -0.046 0.000 1.152 425 H CB -1.676 28.066 29.762 -0.033 0.000 1.278 425 H HN 0.568 nan 8.280 nan 0.000 0.339 426 A N 0.636 123.455 122.820 -0.001 0.000 2.121 426 A HA 0.201 4.522 4.320 0.001 0.000 0.218 426 A C 2.499 180.085 177.584 0.003 0.000 1.154 426 A CA 1.422 53.455 52.037 -0.007 0.000 0.679 426 A CB -0.361 18.605 19.000 -0.057 0.000 0.795 426 A HN 0.561 nan 8.150 nan 0.000 0.458 427 A N 0.864 123.680 122.820 -0.006 0.000 1.972 427 A HA -0.172 4.149 4.320 0.001 0.000 0.219 427 A C 1.640 179.240 177.584 0.027 0.000 1.169 427 A CA 1.383 53.421 52.037 0.002 0.000 0.635 427 A CB -0.572 18.418 19.000 -0.017 0.000 0.810 427 A HN 0.601 nan 8.150 nan 0.000 0.446 428 N N 0.407 119.137 118.700 0.050 0.000 2.609 428 N HA -0.084 4.657 4.740 0.001 0.000 0.190 428 N C 1.307 176.855 175.510 0.064 0.000 1.157 428 N CA 1.421 54.511 53.050 0.066 0.000 0.918 428 N CB 0.073 38.614 38.487 0.091 0.000 0.978 428 N HN 0.605 nan 8.380 nan 0.000 0.448 429 V N -2.961 116.979 119.914 0.044 0.000 3.660 429 V HA 0.200 4.321 4.120 0.001 0.000 0.276 429 V C 0.815 176.925 176.094 0.028 0.000 1.317 429 V CA -0.160 62.158 62.300 0.031 0.000 1.097 429 V CB -0.190 31.627 31.823 -0.010 0.000 0.863 429 V HN -0.215 nan 8.190 nan 0.000 0.438 430 V N 2.547 122.479 119.914 0.031 0.000 2.775 430 V HA 0.738 4.858 4.120 0.001 0.000 0.299 430 V C 1.308 177.427 176.094 0.041 0.000 1.062 430 V CA 0.808 63.126 62.300 0.030 0.000 1.063 430 V CB -0.160 31.678 31.823 0.024 0.000 0.994 430 V HN 1.024 nan 8.190 nan 0.000 0.483 431 G N 3.168 111.993 108.800 0.042 0.000 2.584 431 G HA2 -0.135 3.825 3.960 0.001 0.000 0.229 431 G HA3 -0.135 3.825 3.960 0.001 0.000 0.229 431 G C -0.842 174.098 174.900 0.068 0.000 1.320 431 G CA 0.064 45.194 45.100 0.050 0.000 0.891 431 G HN 1.254 nan 8.290 nan 0.000 0.573 432 L N 1.642 122.910 121.223 0.075 0.000 2.272 432 L HA 0.767 5.107 4.340 0.001 0.000 0.289 432 L C 0.945 177.884 176.870 0.115 0.000 1.032 432 L CA 0.900 55.800 54.840 0.100 0.000 0.810 432 L CB 1.330 43.443 42.059 0.090 0.000 1.205 432 L HN 1.455 nan 8.230 nan 0.000 0.422 433 T N 0.213 114.862 114.554 0.158 0.000 2.858 433 T HA 0.500 4.850 4.350 0.001 0.000 0.285 433 T C -0.989 173.830 174.700 0.198 0.000 1.052 433 T CA -0.895 61.306 62.100 0.167 0.000 1.009 433 T CB 1.606 70.583 68.868 0.181 0.000 1.241 433 T HN 0.575 nan 8.240 nan 0.000 0.542 434 D N -0.382 120.114 120.400 0.160 0.000 2.350 434 D HA 0.184 4.825 4.640 0.001 0.000 0.245 434 D C 0.767 177.119 176.300 0.086 0.000 1.036 434 D CA -0.480 53.562 54.000 0.070 0.000 0.848 434 D CB 2.514 43.329 40.800 0.026 0.000 1.307 434 D HN 0.755 nan 8.370 nan 0.000 0.469 435 Q N 1.188 120.901 119.800 -0.145 0.000 2.325 435 Q HA -0.198 4.142 4.340 0.001 0.000 0.211 435 Q C 1.461 177.563 176.000 0.170 0.000 0.988 435 Q CA 2.152 57.893 55.803 -0.103 0.000 0.887 435 Q CB 0.123 28.622 28.738 -0.400 0.000 0.915 435 Q HN 0.630 nan 8.270 nan 0.000 0.440 436 T N -2.811 111.817 114.554 0.124 0.000 3.023 436 T HA -0.060 4.290 4.350 0.001 0.000 0.266 436 T C 1.222 176.192 174.700 0.450 0.000 1.093 436 T CA 0.854 63.099 62.100 0.243 0.000 1.129 436 T CB -0.053 68.919 68.868 0.173 0.000 0.899 436 T HN 0.219 nan 8.240 nan 0.000 0.491 437 D N 1.222 121.828 120.400 0.344 0.000 2.117 437 D HA -0.041 4.600 4.640 0.001 0.000 0.198 437 D C 2.062 178.564 176.300 0.337 0.000 0.982 437 D CA 0.717 54.926 54.000 0.349 0.000 0.828 437 D CB -0.227 40.707 40.800 0.223 0.000 0.967 437 D HN 0.219 nan 8.370 nan 0.000 0.464 438 L N 0.988 122.408 121.223 0.329 0.000 2.021 438 L HA -0.231 4.110 4.340 0.001 0.000 0.215 438 L C 2.148 179.161 176.870 0.237 0.000 1.074 438 L CA 1.537 56.548 54.840 0.284 0.000 0.760 438 L CB -1.109 41.170 42.059 0.366 0.000 0.889 438 L HN -0.009 nan 8.230 nan 0.000 0.433 439 F N -0.768 119.278 119.950 0.160 0.000 2.095 439 F HA -0.303 4.224 4.527 0.001 0.000 0.298 439 F C 2.158 177.852 175.800 -0.176 0.000 1.104 439 F CA 1.882 59.863 58.000 -0.031 0.000 1.232 439 F CB -0.797 38.080 39.000 -0.205 0.000 0.987 439 F HN 0.192 nan 8.300 nan 0.000 0.475 440 Y N 0.301 120.486 120.300 -0.192 0.000 2.274 440 Y HA -0.169 4.381 4.550 0.001 0.000 0.290 440 Y C 2.661 178.413 175.900 -0.248 0.000 1.145 440 Y CA 1.817 59.738 58.100 -0.298 0.000 1.203 440 Y CB -1.283 37.166 38.460 -0.019 0.000 0.984 440 Y HN 0.014 nan 8.280 nan 0.000 0.533 441 T N -0.039 114.503 114.554 -0.019 0.000 2.915 441 T HA -0.152 4.199 4.350 0.001 0.000 0.269 441 T C 1.775 176.400 174.700 -0.125 0.000 1.071 441 T CA 1.371 63.454 62.100 -0.029 0.000 1.132 441 T CB -0.219 68.681 68.868 0.054 0.000 0.878 441 T HN 0.333 nan 8.240 nan 0.000 0.479 442 M N 0.291 119.790 119.600 -0.169 0.000 2.248 442 M HA 0.107 4.588 4.480 0.001 0.000 0.265 442 M C 2.398 178.558 176.300 -0.233 0.000 1.079 442 M CA 1.083 56.297 55.300 -0.143 0.000 1.150 442 M CB -0.276 32.294 32.600 -0.050 0.000 1.366 442 M HN 0.036 nan 8.290 nan 0.000 0.433 443 K N 1.121 121.278 120.400 -0.406 0.000 2.032 443 K HA -0.135 4.185 4.320 0.001 0.000 0.209 443 K C 1.975 178.426 176.600 -0.248 0.000 1.048 443 K CA 1.702 57.759 56.287 -0.384 0.000 0.927 443 K CB -0.069 32.066 32.500 -0.608 0.000 0.712 443 K HN 0.267 nan 8.250 nan 0.000 0.441 444 A N 0.605 123.278 122.820 -0.244 0.000 1.929 444 A HA 0.015 4.335 4.320 0.001 0.000 0.216 444 A C 2.229 179.579 177.584 -0.390 0.000 1.176 444 A CA 1.522 53.422 52.037 -0.227 0.000 0.628 444 A CB -0.553 18.352 19.000 -0.158 0.000 0.816 444 A HN 0.467 nan 8.150 nan 0.000 0.444 445 A N -0.328 122.165 122.820 -0.546 0.000 1.897 445 A HA 0.066 4.386 4.320 0.001 0.000 0.215 445 A C 1.989 179.416 177.584 -0.262 0.000 1.181 445 A CA 1.226 52.830 52.037 -0.722 0.000 0.620 445 A CB -0.509 18.205 19.000 -0.476 0.000 0.821 445 A HN 0.429 nan 8.150 nan 0.000 0.443 446 L N -0.598 120.518 121.223 -0.178 0.000 2.551 446 L HA 0.066 4.406 4.340 0.001 0.000 0.228 446 L C 1.538 178.361 176.870 -0.080 0.000 1.153 446 L CA 0.487 55.272 54.840 -0.092 0.000 0.851 446 L CB -0.493 41.530 42.059 -0.060 0.000 0.959 446 L HN 0.612 nan 8.230 nan 0.000 0.451 447 G N 1.056 109.793 108.800 -0.104 0.000 2.295 447 G HA2 -0.280 3.681 3.960 0.001 0.000 0.287 447 G HA3 -0.280 3.681 3.960 0.001 0.000 0.287 447 G C 0.016 174.885 174.900 -0.050 0.000 1.055 447 G CA 0.036 45.097 45.100 -0.065 0.000 0.922 447 G HN 0.264 nan 8.290 nan 0.000 0.503 448 L N -0.891 120.289 121.223 -0.072 0.000 2.360 448 L HA 0.754 5.094 4.340 0.001 0.000 0.271 448 L C 0.534 177.381 176.870 -0.038 0.000 1.057 448 L CA -1.121 53.687 54.840 -0.054 0.000 0.803 448 L CB 1.601 43.615 42.059 -0.075 0.000 1.207 448 L HN 0.311 nan 8.230 nan 0.000 0.445 449 K N 0.000 120.393 120.400 -0.011 0.000 2.780 449 K HA 0.000 4.321 4.320 0.001 0.000 0.191 449 K CA 0.000 56.294 56.287 0.012 0.000 0.838 449 K CB 0.000 32.510 32.500 0.016 0.000 1.064 449 K HN 0.000 nan 8.250 nan 0.000 0.543