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 2pmd_1_B DATA FIRST_RESID 2 DATA SEQUENCE AWPKVQPEVN IGVVGHVDHG KTTLVQAITG IWTSKHSEEL KRGMTIKLGY DATA SEQUENCE AETNIGVcES cKKPEAYVTE PScKScGSDD EPKFLRRISF IDAPGHEVLM DATA SEQUENCE ATMLSGAALM DGAILVVAAN EPFPQPQTRE HFVALGIIGV KNLIIVQNKV DATA SEQUENCE DVVSKEEALS QYRQIKQFTK GTWAENVPII PVSALHKINI DSLIEGIEEY DATA SEQUENCE IKTPYRDLSQ KPVMLVIRSF DVNKPGTQFN ELKGGVIGGS IIQGLFKVDQ DATA SEQUENCE EIKVLPGLRV EKQGKVSYEP IFTKISSIRF GDEEFKEAKP GGLVAIGTYL DATA SEQUENCE DPSLTKADNL LGSIITLADA EVPVLWNIRI KYNLLERVVG AKEMLKVDPI DATA SEQUENCE RAKETLMLSV GSSTTLGIVT SVKKDEIEVE LRRPVAVWSN NIRTVISRQI DATA SEQUENCE AGRWRMIGWG LVEI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.701 177.584 0.195 0.000 1.274 2 A CA 0.000 52.074 52.037 0.061 0.000 0.836 2 A CB 0.000 19.015 19.000 0.025 0.000 0.831 3 W N 1.492 122.739 121.300 -0.088 0.000 2.381 3 W HA 0.600 5.260 4.660 0.000 0.000 0.329 3 W C -1.834 174.510 176.519 -0.292 0.000 1.157 3 W CA -1.799 55.427 57.345 -0.198 0.000 1.240 3 W CB 0.189 29.556 29.460 -0.155 0.000 1.199 3 W HN 0.567 nan 8.180 nan 0.000 0.579 4 P HA 0.110 nan 4.420 nan 0.000 0.276 4 P C -0.763 176.371 177.300 -0.277 0.000 1.230 4 P CA -0.318 62.590 63.100 -0.320 0.000 0.776 4 P CB 1.039 32.488 31.700 -0.419 0.000 0.888 5 K N 3.118 123.447 120.400 -0.118 0.000 2.180 5 K HA 0.290 4.611 4.320 0.001 0.000 0.250 5 K C 0.108 176.743 176.600 0.058 0.000 1.135 5 K CA -0.517 55.747 56.287 -0.038 0.000 1.037 5 K CB -0.161 32.304 32.500 -0.057 0.000 1.624 5 K HN 0.391 nan 8.250 nan 0.000 0.382 6 V N 0.365 120.347 119.914 0.114 0.000 3.166 6 V HA 0.465 4.586 4.120 0.001 0.000 0.317 6 V C -0.451 175.715 176.094 0.120 0.000 1.136 6 V CA -1.108 61.344 62.300 0.254 0.000 1.035 6 V CB 1.481 33.346 31.823 0.070 0.000 1.110 6 V HN 0.697 nan 8.190 nan 0.000 0.450 7 Q N 1.514 121.080 119.800 -0.391 0.000 2.306 7 Q HA 0.576 4.916 4.340 0.001 0.000 0.241 7 Q C -2.507 173.193 176.000 -0.501 0.000 0.948 7 Q CA -1.797 53.413 55.803 -0.988 0.000 0.886 7 Q CB 0.997 28.473 28.738 -2.103 0.000 1.227 7 Q HN 0.645 nan 8.270 nan 0.000 0.457 8 P HA -0.062 nan 4.420 nan 0.000 0.272 8 P C -0.819 176.380 177.300 -0.167 0.000 1.223 8 P CA 0.144 63.156 63.100 -0.147 0.000 0.784 8 P CB 0.588 32.277 31.700 -0.017 0.000 0.923 9 E N 0.254 120.386 120.200 -0.113 0.000 2.583 9 E HA 0.365 4.715 4.350 0.001 0.000 0.213 9 E C 0.028 176.579 176.600 -0.081 0.000 0.989 9 E CA -0.511 55.829 56.400 -0.101 0.000 0.991 9 E CB 0.668 30.312 29.700 -0.093 0.000 1.040 9 E HN 0.164 nan 8.360 nan 0.000 0.481 10 V N 0.775 120.638 119.914 -0.086 0.000 3.204 10 V HA 0.363 4.483 4.120 0.001 0.000 0.298 10 V C -2.178 173.851 176.094 -0.108 0.000 1.328 10 V CA -0.939 61.306 62.300 -0.091 0.000 1.035 10 V CB 2.405 34.161 31.823 -0.111 0.000 1.095 10 V HN 0.221 nan 8.190 nan 0.000 0.442 11 N N 4.316 122.961 118.700 -0.093 0.000 2.491 11 N HA 0.597 5.337 4.740 0.001 0.000 0.274 11 N C -1.181 174.255 175.510 -0.122 0.000 1.023 11 N CA -0.152 52.843 53.050 -0.092 0.000 0.902 11 N CB 1.733 40.217 38.487 -0.005 0.000 1.267 11 N HN 0.548 nan 8.380 nan 0.000 0.503 12 I N 0.603 121.033 120.570 -0.234 0.000 2.385 12 I HA 0.431 4.601 4.170 0.001 0.000 0.294 12 I C 1.231 177.327 176.117 -0.035 0.000 0.988 12 I CA -0.569 60.634 61.300 -0.162 0.000 1.265 12 I CB 1.456 39.297 38.000 -0.265 0.000 1.388 12 I HN 0.404 nan 8.210 nan 0.000 0.480 13 G N 4.898 113.712 108.800 0.022 0.000 2.348 13 G HA2 0.568 4.529 3.960 0.001 0.000 0.312 13 G HA3 0.568 4.529 3.960 0.001 0.000 0.312 13 G C -0.876 174.076 174.900 0.086 0.000 1.126 13 G CA -0.404 44.731 45.100 0.058 0.000 0.865 13 G HN 0.383 nan 8.290 nan 0.000 0.474 14 V N 3.000 122.974 119.914 0.099 0.000 2.293 14 V HA 0.366 4.486 4.120 0.001 0.000 0.275 14 V C -0.028 176.069 176.094 0.005 0.000 1.021 14 V CA -0.739 61.606 62.300 0.076 0.000 0.815 14 V CB 0.956 32.833 31.823 0.090 0.000 1.025 14 V HN 0.561 nan 8.190 nan 0.000 0.448 15 V N 4.794 124.687 119.914 -0.036 0.000 2.459 15 V HA 1.019 5.139 4.120 0.001 0.000 0.295 15 V C 0.190 176.209 176.094 -0.125 0.000 1.029 15 V CA 0.294 62.503 62.300 -0.152 0.000 0.874 15 V CB 1.549 33.221 31.823 -0.251 0.000 0.985 15 V HN 0.919 nan 8.190 nan 0.000 0.438 16 G N 3.580 112.295 108.800 -0.143 0.000 2.766 16 G HA2 0.409 4.369 3.960 0.001 0.000 0.297 16 G HA3 0.409 4.369 3.960 0.001 0.000 0.297 16 G C -1.111 173.788 174.900 -0.001 0.000 1.431 16 G CA -0.728 44.367 45.100 -0.008 0.000 1.042 16 G HN 1.334 nan 8.290 nan 0.000 0.542 17 H N 0.976 119.954 119.070 -0.154 0.000 3.134 17 H HA 0.100 4.656 4.556 0.001 0.000 0.326 17 H C 1.027 176.187 175.328 -0.280 0.000 1.017 17 H CA 0.782 56.653 56.048 -0.294 0.000 1.359 17 H CB 0.911 30.105 29.762 -0.946 0.000 1.300 17 H HN 0.593 nan 8.280 nan 0.000 0.596 18 V N 5.763 125.425 119.914 -0.420 0.000 2.625 18 V HA -0.136 3.984 4.120 0.001 0.000 0.305 18 V C 0.210 176.260 176.094 -0.073 0.000 1.055 18 V CA 1.343 63.457 62.300 -0.310 0.000 1.209 18 V CB -0.313 31.014 31.823 -0.826 0.000 0.877 18 V HN 1.229 nan 8.190 nan 0.000 0.489 19 D N 2.959 123.362 120.400 0.005 0.000 3.006 19 D HA -0.202 4.439 4.640 0.001 0.000 0.205 19 D C 0.812 177.228 176.300 0.194 0.000 1.075 19 D CA 1.607 55.657 54.000 0.083 0.000 1.000 19 D CB -1.385 39.457 40.800 0.071 0.000 1.097 19 D HN 0.973 nan 8.370 nan 0.000 0.426 20 H N -0.364 118.736 119.070 0.050 0.000 2.529 20 H HA 0.193 4.749 4.556 0.001 0.000 0.277 20 H C 1.956 177.272 175.328 -0.019 0.000 0.999 20 H CA 0.929 56.991 56.048 0.024 0.000 1.256 20 H CB 0.567 30.362 29.762 0.054 0.000 1.402 20 H HN 0.413 nan 8.280 nan 0.000 0.566 21 G N 0.367 109.217 108.800 0.083 0.000 2.234 21 G HA2 -0.195 3.765 3.960 0.001 0.000 0.153 21 G HA3 -0.195 3.765 3.960 0.001 0.000 0.153 21 G C 0.933 175.810 174.900 -0.037 0.000 1.013 21 G CA 0.052 45.146 45.100 -0.009 0.000 0.712 21 G HN 0.195 nan 8.290 nan 0.000 0.491 22 K N 0.388 120.782 120.400 -0.009 0.000 1.977 22 K HA -0.267 4.053 4.320 0.001 0.000 0.231 22 K C 2.828 179.383 176.600 -0.076 0.000 1.040 22 K CA 2.832 59.100 56.287 -0.031 0.000 1.029 22 K CB -0.965 31.530 32.500 -0.008 0.000 0.737 22 K HN 0.617 nan 8.250 nan 0.000 0.446 23 T N -0.628 113.884 114.554 -0.069 0.000 2.778 23 T HA -0.182 4.169 4.350 0.001 0.000 0.269 23 T C 2.018 176.604 174.700 -0.191 0.000 1.050 23 T CA 2.252 64.291 62.100 -0.102 0.000 1.137 23 T CB -0.703 68.126 68.868 -0.065 0.000 0.860 23 T HN 0.227 nan 8.240 nan 0.000 0.468 24 T N 1.500 115.930 114.554 -0.207 0.000 2.857 24 T HA 0.235 4.585 4.350 0.001 0.000 0.266 24 T C 1.845 176.400 174.700 -0.241 0.000 1.048 24 T CA 0.757 62.692 62.100 -0.275 0.000 1.139 24 T CB -0.372 68.345 68.868 -0.252 0.000 0.874 24 T HN 0.274 nan 8.240 nan 0.000 0.455 25 L N 1.122 122.228 121.223 -0.195 0.000 2.046 25 L HA -0.111 4.230 4.340 0.001 0.000 0.208 25 L C 2.474 179.175 176.870 -0.282 0.000 1.077 25 L CA 1.263 55.984 54.840 -0.199 0.000 0.747 25 L CB -0.364 41.603 42.059 -0.153 0.000 0.896 25 L HN 0.154 nan 8.230 nan 0.000 0.432 26 V N -0.188 119.540 119.914 -0.311 0.000 2.295 26 V HA -0.343 3.778 4.120 0.001 0.000 0.246 26 V C 2.424 178.310 176.094 -0.347 0.000 1.049 26 V CA 1.935 63.969 62.300 -0.443 0.000 1.024 26 V CB -0.669 30.971 31.823 -0.305 0.000 0.648 26 V HN 0.546 nan 8.190 nan 0.000 0.447 27 Q N -0.017 119.619 119.800 -0.274 0.000 2.135 27 Q HA -0.195 4.145 4.340 0.001 0.000 0.204 27 Q C 2.390 178.265 176.000 -0.209 0.000 0.981 27 Q CA 1.765 57.419 55.803 -0.248 0.000 0.856 27 Q CB -0.465 28.052 28.738 -0.368 0.000 0.902 27 Q HN 0.682 nan 8.270 nan 0.000 0.425 28 A N 0.629 123.318 122.820 -0.217 0.000 1.972 28 A HA -0.143 4.178 4.320 0.001 0.000 0.219 28 A C 1.945 179.445 177.584 -0.140 0.000 1.169 28 A CA 1.122 53.062 52.037 -0.162 0.000 0.635 28 A CB -0.381 18.526 19.000 -0.155 0.000 0.810 28 A HN 0.307 nan 8.150 nan 0.000 0.446 29 I N -0.857 119.589 120.570 -0.206 0.000 2.556 29 I HA -0.098 4.072 4.170 0.001 0.000 0.251 29 I C 2.706 178.754 176.117 -0.114 0.000 1.105 29 I CA 1.601 62.790 61.300 -0.184 0.000 1.436 29 I CB -0.493 37.295 38.000 -0.353 0.000 1.139 29 I HN 0.470 nan 8.210 nan 0.000 0.438 30 T N -2.128 112.331 114.554 -0.158 0.000 2.939 30 T HA 0.245 4.596 4.350 0.001 0.000 0.254 30 T C 1.675 176.368 174.700 -0.012 0.000 1.041 30 T CA 0.892 62.965 62.100 -0.045 0.000 1.142 30 T CB 0.377 69.216 68.868 -0.048 0.000 0.874 30 T HN 0.480 nan 8.240 nan 0.000 0.452 31 G N 1.076 109.848 108.800 -0.047 0.000 2.201 31 G HA2 -0.107 3.854 3.960 0.001 0.000 0.212 31 G HA3 -0.107 3.854 3.960 0.001 0.000 0.212 31 G C -0.182 174.736 174.900 0.029 0.000 0.994 31 G CA -0.188 44.907 45.100 -0.009 0.000 0.644 31 G HN 0.592 nan 8.290 nan 0.000 0.508 32 I N 0.487 121.070 120.570 0.021 0.000 2.353 32 I HA 0.508 4.679 4.170 0.001 0.000 0.293 32 I C 0.123 176.297 176.117 0.095 0.000 0.992 32 I CA -1.117 60.238 61.300 0.093 0.000 1.268 32 I CB 0.817 38.866 38.000 0.082 0.000 1.387 32 I HN 0.116 nan 8.210 nan 0.000 0.478 33 W N 5.337 126.630 121.300 -0.013 0.000 2.724 33 W HA 0.193 4.853 4.660 0.001 0.000 0.347 33 W C 0.806 177.318 176.519 -0.011 0.000 1.338 33 W CA -0.254 57.080 57.345 -0.019 0.000 1.450 33 W CB 0.217 29.665 29.460 -0.021 0.000 1.534 33 W HN 0.506 nan 8.180 nan 0.000 0.508 34 T N 0.121 114.747 114.554 0.120 0.000 3.783 34 T HA 0.283 4.633 4.350 0.001 0.000 0.262 34 T C 0.472 175.237 174.700 0.108 0.000 1.381 34 T CA -0.358 61.803 62.100 0.102 0.000 1.155 34 T CB 0.249 69.144 68.868 0.044 0.000 1.256 34 T HN 0.298 nan 8.240 nan 0.000 0.807 35 S N 0.355 116.145 115.700 0.150 0.000 2.824 35 S HA 0.297 4.767 4.470 0.001 0.000 0.216 35 S C -0.597 174.048 174.600 0.075 0.000 0.755 35 S CA -0.628 57.643 58.200 0.119 0.000 1.122 35 S CB -0.105 63.170 63.200 0.125 0.000 1.416 35 S HN 0.697 nan 8.310 nan 0.000 0.522 36 K N 0.888 121.308 120.400 0.034 0.000 2.617 36 K HA 0.535 4.856 4.320 0.001 0.000 0.293 36 K C -1.834 174.696 176.600 -0.117 0.000 1.034 36 K CA -0.578 55.607 56.287 -0.171 0.000 0.884 36 K CB 0.749 33.110 32.500 -0.231 0.000 1.541 36 K HN 0.313 nan 8.250 nan 0.000 0.409 37 H N -0.823 118.256 119.070 0.015 0.000 2.379 37 H HA 0.595 5.151 4.556 0.001 0.000 0.229 37 H C -0.602 174.716 175.328 -0.016 0.000 1.423 37 H CA -0.601 55.450 56.048 0.006 0.000 1.375 37 H CB 0.916 30.680 29.762 0.003 0.000 1.592 37 H HN 0.381 nan 8.280 nan 0.000 0.507 38 S N -0.146 115.678 115.700 0.206 0.000 3.640 38 S HA -0.003 4.467 4.470 0.001 0.000 0.246 38 S C 1.520 176.149 174.600 0.049 0.000 1.133 38 S CA 0.092 58.365 58.200 0.122 0.000 0.882 38 S CB 0.259 63.526 63.200 0.112 0.000 1.015 38 S HN 0.383 nan 8.310 nan 0.000 0.469 39 E N 1.113 121.326 120.200 0.023 0.000 2.208 39 E HA 0.003 4.353 4.350 0.001 0.000 0.193 39 E C 0.519 177.143 176.600 0.040 0.000 0.988 39 E CA 0.864 57.274 56.400 0.017 0.000 0.828 39 E CB 0.060 29.761 29.700 0.002 0.000 0.763 39 E HN 0.291 nan 8.360 nan 0.000 0.478 40 E N 0.178 120.412 120.200 0.058 0.000 2.411 40 E HA 0.138 4.488 4.350 0.001 0.000 0.204 40 E C 0.934 177.577 176.600 0.071 0.000 1.059 40 E CA -0.122 56.324 56.400 0.075 0.000 1.112 40 E CB -0.076 29.684 29.700 0.099 0.000 1.168 40 E HN 0.138 nan 8.360 nan 0.000 0.445 41 L N -0.557 120.697 121.223 0.051 0.000 2.609 41 L HA 0.207 4.547 4.340 0.001 0.000 0.230 41 L C 1.144 178.010 176.870 -0.007 0.000 1.064 41 L CA 0.246 55.100 54.840 0.023 0.000 0.873 41 L CB 0.322 42.391 42.059 0.018 0.000 1.139 41 L HN -0.002 nan 8.230 nan 0.000 0.490 42 K N -0.229 120.173 120.400 0.003 0.000 2.116 42 K HA 0.010 4.330 4.320 0.001 0.000 0.203 42 K C 1.989 178.591 176.600 0.002 0.000 1.052 42 K CA 0.871 57.155 56.287 -0.005 0.000 0.952 42 K CB 0.068 32.568 32.500 0.001 0.000 0.729 42 K HN 0.077 nan 8.250 nan 0.000 0.446 43 R N 0.034 120.548 120.500 0.023 0.000 2.036 43 R HA 0.161 4.501 4.340 0.001 0.000 0.216 43 R C 1.061 177.384 176.300 0.037 0.000 1.241 43 R CA 1.037 57.161 56.100 0.039 0.000 0.964 43 R CB -1.325 29.014 30.300 0.064 0.000 0.828 43 R HN 0.170 nan 8.270 nan 0.000 0.468 44 G N 1.847 110.682 108.800 0.058 0.000 2.358 44 G HA2 0.173 4.134 3.960 0.001 0.000 0.273 44 G HA3 0.173 4.134 3.960 0.001 0.000 0.273 44 G C 0.981 175.882 174.900 0.002 0.000 1.215 44 G CA -0.435 44.699 45.100 0.057 0.000 0.910 44 G HN 0.004 nan 8.290 nan 0.000 0.467 45 M N 1.190 120.754 119.600 -0.059 0.000 3.138 45 M HA -0.076 4.404 4.480 0.001 0.000 0.280 45 M C 1.255 177.444 176.300 -0.185 0.000 1.053 45 M CA 1.682 56.859 55.300 -0.204 0.000 1.065 45 M CB -0.856 31.470 32.600 -0.457 0.000 1.207 45 M HN 0.540 nan 8.290 nan 0.000 0.551 46 T N 0.718 115.182 114.554 -0.149 0.000 3.393 46 T HA 0.534 4.884 4.350 0.001 0.000 0.359 46 T C -1.576 173.189 174.700 0.109 0.000 1.380 46 T CA -0.711 61.370 62.100 -0.032 0.000 1.132 46 T CB 0.734 69.541 68.868 -0.103 0.000 1.284 46 T HN 0.132 nan 8.240 nan 0.000 0.477 47 I N 4.427 125.052 120.570 0.092 0.000 2.827 47 I HA 0.433 4.604 4.170 0.001 0.000 0.298 47 I C 0.750 176.915 176.117 0.081 0.000 1.235 47 I CA -0.829 60.522 61.300 0.085 0.000 1.021 47 I CB 2.339 40.368 38.000 0.049 0.000 1.259 47 I HN 0.766 nan 8.210 nan 0.000 0.427 48 K N 3.969 124.409 120.400 0.066 0.000 2.262 48 K HA 0.254 4.574 4.320 0.001 0.000 0.200 48 K C 0.015 176.658 176.600 0.072 0.000 1.049 48 K CA 0.493 56.819 56.287 0.065 0.000 0.979 48 K CB 0.447 32.976 32.500 0.049 0.000 0.773 48 K HN 0.466 nan 8.250 nan 0.000 0.474 49 L N 1.933 123.200 121.223 0.074 0.000 2.276 49 L HA 0.284 4.624 4.340 0.001 0.000 0.286 49 L C 0.533 177.487 176.870 0.141 0.000 1.061 49 L CA -0.887 54.009 54.840 0.093 0.000 0.807 49 L CB 1.413 43.521 42.059 0.082 0.000 1.177 49 L HN 0.103 nan 8.230 nan 0.000 0.429 50 G N 2.406 111.286 108.800 0.133 0.000 2.225 50 G HA2 0.044 4.004 3.960 0.001 0.000 0.245 50 G HA3 0.044 4.004 3.960 0.001 0.000 0.245 50 G C -1.175 173.861 174.900 0.228 0.000 1.249 50 G CA 0.262 45.452 45.100 0.151 0.000 0.919 50 G HN 0.592 nan 8.290 nan 0.000 0.486 51 Y N 2.053 122.407 120.300 0.091 0.000 2.396 51 Y HA 0.594 5.144 4.550 0.001 0.000 0.332 51 Y C -0.379 175.599 175.900 0.129 0.000 1.034 51 Y CA -0.687 57.479 58.100 0.109 0.000 1.057 51 Y CB 1.666 40.179 38.460 0.088 0.000 1.220 51 Y HN 0.877 nan 8.280 nan 0.000 0.440 52 A N 5.258 127.787 122.820 -0.485 0.000 2.572 52 A HA 0.778 5.098 4.320 0.001 0.000 0.295 52 A C -1.666 175.710 177.584 -0.347 0.000 1.072 52 A CA -0.890 50.945 52.037 -0.336 0.000 0.691 52 A CB 1.757 20.717 19.000 -0.068 0.000 1.291 52 A HN 0.757 nan 8.150 nan 0.000 0.404 53 E N -0.043 120.056 120.200 -0.170 0.000 2.369 53 E HA 0.805 5.155 4.350 0.001 0.000 0.270 53 E C -0.963 175.694 176.600 0.095 0.000 0.909 53 E CA -0.923 55.458 56.400 -0.033 0.000 0.775 53 E CB 2.335 32.017 29.700 -0.030 0.000 1.270 53 E HN 0.550 nan 8.360 nan 0.000 0.445 54 T N 0.382 115.018 114.554 0.136 0.000 2.886 54 T HA 0.261 4.612 4.350 0.001 0.000 0.330 54 T C -1.533 173.270 174.700 0.172 0.000 1.488 54 T CA -0.839 61.364 62.100 0.173 0.000 1.054 54 T CB 1.232 70.217 68.868 0.194 0.000 1.348 54 T HN 0.471 nan 8.240 nan 0.000 0.489 55 N N 2.474 121.319 118.700 0.241 0.000 2.515 55 N HA 0.488 5.229 4.740 0.001 0.000 0.279 55 N C -0.707 174.884 175.510 0.135 0.000 1.164 55 N CA -0.460 52.741 53.050 0.251 0.000 0.982 55 N CB 0.798 39.593 38.487 0.514 0.000 1.170 55 N HN 0.488 nan 8.380 nan 0.000 0.474 56 I N 0.754 121.235 120.570 -0.149 0.000 2.447 56 I HA 0.445 4.615 4.170 0.001 0.000 0.287 56 I C 0.706 176.657 176.117 -0.278 0.000 1.023 56 I CA -0.510 60.734 61.300 -0.092 0.000 1.083 56 I CB 0.942 38.884 38.000 -0.097 0.000 1.245 56 I HN 0.451 nan 8.210 nan 0.000 0.434 57 G N 4.313 113.154 108.800 0.068 0.000 2.714 57 G HA2 0.715 4.675 3.960 0.001 0.000 0.292 57 G HA3 0.715 4.675 3.960 0.001 0.000 0.292 57 G C -1.729 173.286 174.900 0.191 0.000 1.308 57 G CA -0.654 44.513 45.100 0.112 0.000 0.964 57 G HN 0.352 nan 8.290 nan 0.000 0.484 58 V N -0.950 119.032 119.914 0.112 0.000 2.808 58 V HA 0.451 4.572 4.120 0.001 0.000 0.308 58 V C -0.827 175.255 176.094 -0.019 0.000 1.099 58 V CA -0.753 61.491 62.300 -0.092 0.000 0.920 58 V CB 1.706 33.340 31.823 -0.315 0.000 1.014 58 V HN 0.936 nan 8.190 nan 0.000 0.425 59 c N 5.928 124.488 118.600 -0.066 0.000 2.256 59 c HA 0.350 4.920 4.570 0.001 0.000 0.333 59 c C 1.702 175.758 174.090 -0.057 0.000 1.183 59 c CA -0.644 55.670 56.329 -0.025 0.000 1.692 59 c CB -0.415 42.084 42.510 -0.019 0.000 2.274 59 c HN 0.946 nan 8.230 nan 0.000 0.509 60 E N 1.363 121.546 120.200 -0.028 0.000 2.110 60 E HA -0.122 4.229 4.350 0.001 0.000 0.193 60 E C 1.980 178.564 176.600 -0.027 0.000 0.988 60 E CA 1.313 57.694 56.400 -0.032 0.000 0.804 60 E CB -0.002 29.694 29.700 -0.008 0.000 0.745 60 E HN 0.713 nan 8.360 nan 0.000 0.458 61 S N 0.629 116.319 115.700 -0.017 0.000 2.355 61 S HA -0.090 4.380 4.470 0.001 0.000 0.222 61 S C 1.572 176.160 174.600 -0.019 0.000 1.031 61 S CA 0.444 58.636 58.200 -0.013 0.000 0.993 61 S CB -0.205 62.990 63.200 -0.008 0.000 0.859 61 S HN 0.237 nan 8.310 nan 0.000 0.453 62 c N 2.151 120.736 118.600 -0.026 0.000 2.921 62 c HA 0.317 4.888 4.570 0.001 0.000 0.270 62 c C 0.772 174.842 174.090 -0.034 0.000 1.509 62 c CA -0.606 55.707 56.329 -0.027 0.000 2.019 62 c CB -0.344 42.149 42.510 -0.028 0.000 2.074 62 c HN 0.442 nan 8.230 nan 0.000 0.665 63 K N 0.508 120.893 120.400 -0.025 0.000 2.422 63 K HA 0.337 4.657 4.320 0.001 0.000 0.251 63 K C -1.127 175.471 176.600 -0.002 0.000 0.933 63 K CA -0.349 55.928 56.287 -0.016 0.000 0.798 63 K CB 1.093 33.592 32.500 -0.001 0.000 1.238 63 K HN 0.629 nan 8.250 nan 0.000 0.428 64 K N 3.656 124.063 120.400 0.012 0.000 2.295 64 K HA 0.103 4.423 4.320 0.001 0.000 0.270 64 K C -1.620 175.039 176.600 0.098 0.000 1.011 64 K CA -1.477 54.862 56.287 0.087 0.000 0.953 64 K CB 0.706 33.291 32.500 0.141 0.000 0.956 64 K HN 0.404 nan 8.250 nan 0.000 0.477 65 P HA -0.109 nan 4.420 nan 0.000 0.235 65 P C 0.266 177.708 177.300 0.236 0.000 1.177 65 P CA 0.824 64.070 63.100 0.244 0.000 0.785 65 P CB 0.316 32.112 31.700 0.160 0.000 0.885 66 E N 1.364 121.636 120.200 0.121 0.000 2.253 66 E HA -0.208 4.142 4.350 0.001 0.000 0.202 66 E C 1.884 178.525 176.600 0.068 0.000 1.014 66 E CA 1.606 58.058 56.400 0.086 0.000 0.823 66 E CB -1.369 28.359 29.700 0.048 0.000 0.736 66 E HN 0.274 nan 8.360 nan 0.000 0.478 67 A N 0.648 123.477 122.820 0.015 0.000 2.121 67 A HA -0.081 4.239 4.320 0.001 0.000 0.218 67 A C 0.561 178.057 177.584 -0.146 0.000 1.154 67 A CA 0.378 52.359 52.037 -0.093 0.000 0.679 67 A CB -0.545 18.342 19.000 -0.189 0.000 0.795 67 A HN 0.176 nan 8.150 nan 0.000 0.458 68 Y N -0.472 119.857 120.300 0.050 0.000 2.346 68 Y HA 0.396 4.946 4.550 0.001 0.000 0.330 68 Y C 0.517 176.469 175.900 0.086 0.000 1.178 68 Y CA 0.113 58.252 58.100 0.064 0.000 1.331 68 Y CB 1.048 39.535 38.460 0.046 0.000 1.253 68 Y HN 0.188 nan 8.280 nan 0.000 0.529 69 V N -1.179 118.901 119.914 0.277 0.000 3.159 69 V HA 0.628 4.748 4.120 0.001 0.000 0.308 69 V C -0.015 176.264 176.094 0.309 0.000 1.190 69 V CA -0.501 61.944 62.300 0.242 0.000 1.037 69 V CB 1.781 33.724 31.823 0.199 0.000 1.060 69 V HN 0.771 nan 8.190 nan 0.000 0.437 70 T N -2.247 112.462 114.554 0.257 0.000 3.145 70 T HA 0.541 4.892 4.350 0.001 0.000 0.281 70 T C -0.029 174.865 174.700 0.323 0.000 1.003 70 T CA 0.038 62.314 62.100 0.293 0.000 0.901 70 T CB -0.188 68.791 68.868 0.186 0.000 1.112 70 T HN 0.774 nan 8.240 nan 0.000 0.535 71 E N 1.971 122.303 120.200 0.221 0.000 2.383 71 E HA 0.426 4.776 4.350 0.001 0.000 0.275 71 E C -2.978 173.368 176.600 -0.425 0.000 0.918 71 E CA -2.300 54.096 56.400 -0.006 0.000 0.764 71 E CB 2.172 31.857 29.700 -0.025 0.000 1.252 71 E HN -0.110 nan 8.360 nan 0.000 0.449 72 P HA 0.078 nan 4.420 nan 0.000 0.237 72 P C -0.967 175.994 177.300 -0.566 0.000 1.788 72 P CA 0.126 62.454 63.100 -1.286 0.000 1.061 72 P CB -0.015 30.899 31.700 -1.309 0.000 1.967 73 S N 1.131 116.625 115.700 -0.342 0.000 2.548 73 S HA 0.284 4.754 4.470 0.001 0.000 0.278 73 S C -0.221 174.326 174.600 -0.087 0.000 1.150 73 S CA -0.458 57.638 58.200 -0.174 0.000 0.907 73 S CB 0.535 63.658 63.200 -0.129 0.000 1.108 73 S HN 0.252 nan 8.310 nan 0.000 0.459 74 c N 5.318 123.883 118.600 -0.058 0.000 2.647 74 c HA 0.394 4.964 4.570 0.001 0.000 0.296 74 c C 1.924 176.002 174.090 -0.019 0.000 1.403 74 c CA -0.607 55.707 56.329 -0.024 0.000 1.781 74 c CB -1.001 41.501 42.510 -0.013 0.000 2.464 74 c HN 0.763 nan 8.230 nan 0.000 0.559 75 K N 1.948 122.334 120.400 -0.025 0.000 2.001 75 K HA -0.094 4.226 4.320 0.001 0.000 0.208 75 K C 2.190 178.785 176.600 -0.008 0.000 1.048 75 K CA 1.805 58.081 56.287 -0.018 0.000 0.932 75 K CB -0.862 31.625 32.500 -0.021 0.000 0.715 75 K HN 0.632 nan 8.250 nan 0.000 0.437 76 S N 1.192 116.890 115.700 -0.004 0.000 2.408 76 S HA -0.255 4.216 4.470 0.001 0.000 0.241 76 S C 2.084 176.688 174.600 0.006 0.000 1.080 76 S CA 1.565 59.768 58.200 0.005 0.000 1.109 76 S CB -1.359 61.850 63.200 0.014 0.000 0.966 76 S HN 0.507 nan 8.310 nan 0.000 0.449 77 c N -0.372 118.230 118.600 0.004 0.000 3.319 77 c HA 0.914 5.484 4.570 0.001 0.000 0.344 77 c C 2.381 176.470 174.090 -0.002 0.000 3.068 77 c CA -0.540 55.790 56.329 0.003 0.000 1.790 77 c CB 0.311 42.823 42.510 0.004 0.000 3.186 77 c HN 0.581 nan 8.230 nan 0.000 0.483 78 G N 0.675 109.472 108.800 -0.004 0.000 3.869 78 G HA2 0.082 4.042 3.960 0.001 0.000 0.260 78 G HA3 0.082 4.042 3.960 0.001 0.000 0.260 78 G C 0.311 175.207 174.900 -0.007 0.000 0.870 78 G CA 1.916 47.012 45.100 -0.006 0.000 0.731 78 G HN 1.720 nan 8.290 nan 0.000 1.403 79 S N -1.914 113.780 115.700 -0.009 0.000 2.735 79 S HA 0.318 4.788 4.470 0.001 0.000 0.279 79 S C -0.311 174.280 174.600 -0.014 0.000 0.989 79 S CA 0.259 58.452 58.200 -0.012 0.000 0.883 79 S CB 0.540 63.734 63.200 -0.010 0.000 1.117 79 S HN 0.696 nan 8.310 nan 0.000 0.458 80 D N 0.398 120.786 120.400 -0.020 0.000 3.044 80 D HA -0.204 4.437 4.640 0.001 0.000 0.196 80 D C -0.191 176.094 176.300 -0.024 0.000 1.210 80 D CA 1.721 55.706 54.000 -0.025 0.000 0.852 80 D CB -0.622 40.166 40.800 -0.019 0.000 0.951 80 D HN 0.427 nan 8.370 nan 0.000 0.365 81 D N 0.800 121.190 120.400 -0.017 0.000 2.225 81 D HA 0.153 4.793 4.640 0.001 0.000 0.249 81 D C 0.521 176.811 176.300 -0.018 0.000 1.052 81 D CA -0.277 53.717 54.000 -0.010 0.000 0.909 81 D CB 1.032 41.835 40.800 0.005 0.000 1.186 81 D HN 0.124 nan 8.370 nan 0.000 0.431 82 E N 2.526 122.714 120.200 -0.020 0.000 2.480 82 E HA 0.044 4.394 4.350 0.001 0.000 0.258 82 E C -2.023 174.607 176.600 0.051 0.000 0.984 82 E CA -1.186 55.188 56.400 -0.044 0.000 0.930 82 E CB 0.560 30.237 29.700 -0.039 0.000 0.936 82 E HN 0.125 nan 8.360 nan 0.000 0.466 83 P HA 0.002 nan 4.420 nan 0.000 0.272 83 P C -1.003 176.603 177.300 0.510 0.000 1.240 83 P CA -0.169 63.078 63.100 0.244 0.000 0.791 83 P CB 0.610 32.466 31.700 0.259 0.000 0.978 84 K N 1.395 122.004 120.400 0.348 0.000 2.297 84 K HA 0.162 4.482 4.320 0.001 0.000 0.286 84 K C -0.556 176.143 176.600 0.165 0.000 1.053 84 K CA -0.540 55.903 56.287 0.261 0.000 0.940 84 K CB -0.110 32.446 32.500 0.094 0.000 1.019 84 K HN 0.286 nan 8.250 nan 0.000 0.475 85 F N 6.220 126.026 119.950 -0.239 0.000 2.472 85 F HA 0.103 4.631 4.527 0.000 0.000 0.364 85 F C 0.343 175.895 175.800 -0.414 0.000 1.090 85 F CA -0.170 57.324 58.000 -0.844 0.000 1.188 85 F CB 0.403 38.726 39.000 -1.128 0.000 1.105 85 F HN 0.568 nan 8.300 nan 0.000 0.536 86 L N 5.335 125.969 121.223 -0.981 0.000 2.189 86 L HA 0.253 4.594 4.340 0.001 0.000 0.199 86 L C 0.452 176.768 176.870 -0.922 0.000 1.074 86 L CA 0.342 54.781 54.840 -0.669 0.000 0.783 86 L CB -0.186 41.654 42.059 -0.364 0.000 0.955 86 L HN 0.683 nan 8.230 nan 0.000 0.460 87 R N -1.116 118.592 120.500 -1.320 0.000 2.829 87 R HA 0.382 4.722 4.340 0.001 0.000 0.284 87 R C -1.173 174.759 176.300 -0.612 0.000 1.006 87 R CA -0.910 54.649 56.100 -0.902 0.000 0.844 87 R CB 1.223 31.294 30.300 -0.382 0.000 1.309 87 R HN -0.174 nan 8.270 nan 0.000 0.494 88 R N 1.523 121.947 120.500 -0.127 0.000 2.445 88 R HA 0.634 4.974 4.340 0.001 0.000 0.308 88 R C -0.498 175.767 176.300 -0.058 0.000 0.961 88 R CA -0.703 55.414 56.100 0.029 0.000 0.862 88 R CB 1.170 31.571 30.300 0.170 0.000 1.144 88 R HN 0.663 nan 8.270 nan 0.000 0.447 89 I N -0.338 120.193 120.570 -0.065 0.000 3.206 89 I HA 0.688 4.858 4.170 0.001 0.000 0.313 89 I C -1.023 174.985 176.117 -0.182 0.000 1.103 89 I CA -0.931 60.274 61.300 -0.159 0.000 0.985 89 I CB 2.519 40.361 38.000 -0.262 0.000 1.240 89 I HN 0.678 nan 8.210 nan 0.000 0.464 90 S N 1.120 116.627 115.700 -0.321 0.000 2.546 90 S HA 0.744 5.214 4.470 0.001 0.000 0.274 90 S C -1.293 173.009 174.600 -0.496 0.000 1.121 90 S CA -0.595 57.426 58.200 -0.298 0.000 0.887 90 S CB 1.378 64.542 63.200 -0.060 0.000 1.094 90 S HN 0.523 nan 8.310 nan 0.000 0.474 91 F N 1.029 120.892 119.950 -0.144 0.000 2.522 91 F HA 0.741 5.268 4.527 0.000 0.000 0.324 91 F C -0.074 175.726 175.800 0.001 0.000 1.077 91 F CA -1.014 56.950 58.000 -0.059 0.000 0.944 91 F CB 1.749 40.706 39.000 -0.072 0.000 1.175 91 F HN 0.528 nan 8.300 nan 0.000 0.468 92 I N 2.557 123.266 120.570 0.232 0.000 2.569 92 I HA 0.396 4.567 4.170 0.001 0.000 0.290 92 I C -1.572 174.635 176.117 0.151 0.000 1.088 92 I CA -0.722 60.710 61.300 0.220 0.000 1.047 92 I CB 2.167 40.285 38.000 0.197 0.000 1.237 92 I HN 0.546 nan 8.210 nan 0.000 0.421 93 D N 4.847 125.324 120.400 0.128 0.000 2.602 93 D HA 0.523 5.163 4.640 0.001 0.000 0.236 93 D C -0.997 175.346 176.300 0.070 0.000 1.209 93 D CA -0.735 53.313 54.000 0.079 0.000 0.831 93 D CB 2.231 43.066 40.800 0.059 0.000 1.478 93 D HN 0.524 nan 8.370 nan 0.000 0.438 94 A N 1.664 124.513 122.820 0.049 0.000 2.347 94 A HA 0.504 4.824 4.320 0.001 0.000 0.287 94 A C -2.254 175.369 177.584 0.064 0.000 1.199 94 A CA -1.133 50.939 52.037 0.058 0.000 0.851 94 A CB -0.369 18.666 19.000 0.058 0.000 1.118 94 A HN 0.381 nan 8.150 nan 0.000 0.525 95 P HA -0.069 nan 4.420 nan 0.000 0.257 95 P C 0.998 178.348 177.300 0.084 0.000 1.144 95 P CA 1.423 64.566 63.100 0.073 0.000 0.761 95 P CB 0.287 32.029 31.700 0.070 0.000 0.734 96 G N 4.057 112.904 108.800 0.077 0.000 2.759 96 G HA2 -0.235 3.725 3.960 0.001 0.000 0.325 96 G HA3 -0.235 3.725 3.960 0.001 0.000 0.325 96 G C 0.213 175.214 174.900 0.169 0.000 0.312 96 G CA 0.759 45.913 45.100 0.089 0.000 1.249 96 G HN 0.967 nan 8.290 nan 0.000 0.331 97 H N -1.174 117.905 119.070 0.016 0.000 3.461 97 H HA -0.139 4.418 4.556 0.001 0.000 0.376 97 H C 0.453 175.792 175.328 0.018 0.000 1.351 97 H CA 0.527 56.578 56.048 0.006 0.000 1.394 97 H CB -0.673 29.089 29.762 -0.001 0.000 1.455 97 H HN 0.654 nan 8.280 nan 0.000 0.466 98 E N -0.213 120.067 120.200 0.132 0.000 3.423 98 E HA 0.186 4.536 4.350 0.001 0.000 0.222 98 E C 0.449 177.088 176.600 0.066 0.000 1.236 98 E CA 0.869 57.302 56.400 0.054 0.000 1.137 98 E CB 0.416 30.147 29.700 0.052 0.000 3.049 98 E HN 0.459 nan 8.360 nan 0.000 0.608 99 V N 1.748 121.706 119.914 0.072 0.000 5.562 99 V HA -0.226 3.895 4.120 0.001 0.000 0.232 99 V C -0.082 176.051 176.094 0.066 0.000 0.694 99 V CA 0.548 62.893 62.300 0.075 0.000 0.574 99 V CB -2.112 29.774 31.823 0.106 0.000 0.230 99 V HN 0.277 nan 8.190 nan 0.000 0.568 100 L N 2.772 124.022 121.223 0.045 0.000 2.752 100 L HA 0.204 4.544 4.340 0.001 0.000 0.251 100 L C 1.762 178.658 176.870 0.042 0.000 1.436 100 L CA 1.314 56.178 54.840 0.040 0.000 1.181 100 L CB -0.457 41.619 42.059 0.028 0.000 1.414 100 L HN 0.682 nan 8.230 nan 0.000 0.448 101 M N -0.097 119.537 119.600 0.056 0.000 2.696 101 M HA -0.414 4.066 4.480 0.001 0.000 0.116 101 M C 1.356 177.670 176.300 0.024 0.000 0.731 101 M CA 1.953 57.286 55.300 0.055 0.000 0.412 101 M CB -0.458 32.190 32.600 0.080 0.000 1.566 101 M HN 0.611 nan 8.290 nan 0.000 0.314 102 A N -1.089 121.733 122.820 0.005 0.000 2.379 102 A HA 0.220 4.540 4.320 0.001 0.000 0.236 102 A C 1.426 179.003 177.584 -0.011 0.000 1.272 102 A CA 0.932 52.954 52.037 -0.024 0.000 0.886 102 A CB -0.368 18.604 19.000 -0.047 0.000 0.962 102 A HN 0.688 nan 8.150 nan 0.000 0.504 103 T N -5.406 109.154 114.554 0.010 0.000 2.954 103 T HA 0.158 4.509 4.350 0.001 0.000 0.252 103 T C 1.693 176.408 174.700 0.023 0.000 0.983 103 T CA 0.270 62.378 62.100 0.013 0.000 0.941 103 T CB -0.166 68.715 68.868 0.022 0.000 1.141 103 T HN 0.061 nan 8.240 nan 0.000 0.500 104 M N 1.348 120.971 119.600 0.037 0.000 2.134 104 M HA 0.258 4.738 4.480 0.001 0.000 0.262 104 M C 1.917 178.237 176.300 0.032 0.000 1.076 104 M CA 1.084 56.412 55.300 0.047 0.000 1.143 104 M CB -0.642 32.005 32.600 0.078 0.000 1.346 104 M HN 0.225 nan 8.290 nan 0.000 0.421 105 L N -1.071 120.169 121.223 0.029 0.000 2.072 105 L HA -0.078 4.262 4.340 0.001 0.000 0.205 105 L C 2.177 179.051 176.870 0.007 0.000 1.079 105 L CA 1.336 56.187 54.840 0.019 0.000 0.752 105 L CB -1.692 40.378 42.059 0.019 0.000 0.906 105 L HN 0.318 nan 8.230 nan 0.000 0.436 106 S N -0.382 115.316 115.700 -0.002 0.000 2.786 106 S HA 0.121 4.591 4.470 0.001 0.000 0.223 106 S C 1.365 175.957 174.600 -0.014 0.000 0.956 106 S CA 0.545 58.736 58.200 -0.014 0.000 0.961 106 S CB -0.279 62.904 63.200 -0.028 0.000 0.784 106 S HN 0.519 nan 8.310 nan 0.000 0.519 107 G N -0.437 108.362 108.800 -0.002 0.000 2.597 107 G HA2 0.395 4.356 3.960 0.001 0.000 0.196 107 G HA3 0.395 4.356 3.960 0.001 0.000 0.196 107 G C 1.075 175.977 174.900 0.003 0.000 1.176 107 G CA 0.395 45.496 45.100 0.002 0.000 0.747 107 G HN 0.480 nan 8.290 nan 0.000 0.821 108 A N 0.936 123.758 122.820 0.004 0.000 2.238 108 A HA 0.637 4.957 4.320 0.001 0.000 0.208 108 A C 2.327 179.906 177.584 -0.009 0.000 1.177 108 A CA 1.364 53.399 52.037 -0.004 0.000 0.804 108 A CB -0.232 18.764 19.000 -0.008 0.000 0.823 108 A HN 0.660 nan 8.150 nan 0.000 0.482 109 A N -0.150 122.671 122.820 0.001 0.000 2.066 109 A HA 0.220 4.540 4.320 0.001 0.000 0.218 109 A C 1.143 178.730 177.584 0.005 0.000 1.157 109 A CA 1.224 53.270 52.037 0.015 0.000 0.670 109 A CB -0.380 18.637 19.000 0.029 0.000 0.804 109 A HN 0.904 nan 8.150 nan 0.000 0.453 110 L N -3.424 117.793 121.223 -0.010 0.000 3.186 110 L HA 0.617 4.957 4.340 0.001 0.000 0.292 110 L C -0.421 176.442 176.870 -0.012 0.000 1.303 110 L CA 0.090 54.920 54.840 -0.017 0.000 0.940 110 L CB -0.130 41.909 42.059 -0.033 0.000 1.358 110 L HN 0.043 nan 8.230 nan 0.000 0.581 111 M N 0.600 120.191 119.600 -0.014 0.000 2.078 111 M HA 0.365 4.845 4.480 0.001 0.000 0.320 111 M C 0.051 176.334 176.300 -0.028 0.000 0.969 111 M CA -0.068 55.221 55.300 -0.018 0.000 0.929 111 M CB 1.815 34.406 32.600 -0.014 0.000 1.504 111 M HN 0.202 nan 8.290 nan 0.000 0.419 112 D N 1.965 122.345 120.400 -0.034 0.000 2.347 112 D HA 0.107 4.748 4.640 0.001 0.000 0.215 112 D C 0.767 177.048 176.300 -0.030 0.000 0.976 112 D CA 0.478 54.458 54.000 -0.034 0.000 0.884 112 D CB 0.675 41.450 40.800 -0.041 0.000 0.915 112 D HN 0.790 nan 8.370 nan 0.000 0.526 113 G N -0.336 108.445 108.800 -0.031 0.000 2.506 113 G HA2 0.541 4.501 3.960 0.001 0.000 0.292 113 G HA3 0.541 4.501 3.960 0.001 0.000 0.292 113 G C -1.992 172.905 174.900 -0.005 0.000 1.425 113 G CA -0.155 44.937 45.100 -0.014 0.000 0.788 113 G HN 0.199 nan 8.290 nan 0.000 0.490 114 A N -0.661 122.171 122.820 0.019 0.000 2.594 114 A HA 0.867 5.187 4.320 0.001 0.000 0.291 114 A C -1.386 176.229 177.584 0.051 0.000 1.105 114 A CA -0.620 51.437 52.037 0.033 0.000 0.694 114 A CB 1.386 20.402 19.000 0.027 0.000 1.291 114 A HN 0.900 nan 8.150 nan 0.000 0.410 115 I N 1.814 122.421 120.570 0.062 0.000 2.418 115 I HA 0.307 4.477 4.170 0.001 0.000 0.287 115 I C -0.862 175.281 176.117 0.045 0.000 1.008 115 I CA -0.521 60.815 61.300 0.059 0.000 1.104 115 I CB 1.673 39.724 38.000 0.084 0.000 1.264 115 I HN 0.510 nan 8.210 nan 0.000 0.438 116 L N 8.150 129.401 121.223 0.047 0.000 2.272 116 L HA 0.548 4.889 4.340 0.001 0.000 0.289 116 L C -0.772 176.128 176.870 0.050 0.000 1.032 116 L CA -0.469 54.408 54.840 0.062 0.000 0.810 116 L CB 1.637 43.766 42.059 0.117 0.000 1.205 116 L HN 0.270 nan 8.230 nan 0.000 0.422 117 V N 5.920 125.877 119.914 0.071 0.000 2.427 117 V HA 0.449 4.569 4.120 0.001 0.000 0.286 117 V C 0.001 176.222 176.094 0.210 0.000 1.034 117 V CA -0.610 61.742 62.300 0.087 0.000 0.893 117 V CB 1.714 33.587 31.823 0.084 0.000 0.982 117 V HN 0.553 nan 8.190 nan 0.000 0.452 118 V N 3.013 122.976 119.914 0.081 0.000 2.531 118 V HA 0.708 4.828 4.120 0.001 0.000 0.301 118 V C 0.337 176.244 176.094 -0.312 0.000 1.034 118 V CA -0.934 61.373 62.300 0.011 0.000 0.865 118 V CB 1.634 33.388 31.823 -0.114 0.000 0.995 118 V HN 0.962 nan 8.190 nan 0.000 0.424 119 A N 3.246 125.546 122.820 -0.866 0.000 2.396 119 A HA 0.644 4.965 4.320 0.001 0.000 0.279 119 A C 1.462 178.837 177.584 -0.349 0.000 1.165 119 A CA 0.331 52.010 52.037 -0.596 0.000 0.824 119 A CB 0.556 19.114 19.000 -0.737 0.000 1.100 119 A HN 1.500 nan 8.150 nan 0.000 0.516 120 A N 3.121 125.814 122.820 -0.212 0.000 2.019 120 A HA -0.144 4.177 4.320 0.001 0.000 0.219 120 A C 1.605 179.125 177.584 -0.106 0.000 1.164 120 A CA 1.518 53.471 52.037 -0.140 0.000 0.644 120 A CB -0.436 18.505 19.000 -0.099 0.000 0.805 120 A HN 0.956 nan 8.150 nan 0.000 0.449 121 N N 0.230 118.863 118.700 -0.110 0.000 2.362 121 N HA 0.036 4.776 4.740 0.001 0.000 0.211 121 N C -0.446 175.020 175.510 -0.075 0.000 1.170 121 N CA 0.178 53.184 53.050 -0.074 0.000 0.828 121 N CB -0.047 38.404 38.487 -0.060 0.000 1.034 121 N HN 0.587 nan 8.380 nan 0.000 0.475 122 E N 0.650 120.792 120.200 -0.096 0.000 2.356 122 E HA 0.327 4.677 4.350 0.001 0.000 0.275 122 E C -2.852 173.723 176.600 -0.042 0.000 0.904 122 E CA -2.108 54.247 56.400 -0.075 0.000 0.757 122 E CB 2.373 32.010 29.700 -0.104 0.000 1.232 122 E HN 0.104 nan 8.360 nan 0.000 0.442 123 P HA -0.031 nan 4.420 nan 0.000 0.263 123 P C -1.027 176.284 177.300 0.018 0.000 1.195 123 P CA 0.341 63.441 63.100 -0.001 0.000 0.762 123 P CB 0.089 31.776 31.700 -0.022 0.000 0.799 124 F N 6.658 126.541 119.950 -0.111 0.000 2.469 124 F HA 0.610 5.137 4.527 0.000 0.000 0.332 124 F C -2.352 173.362 175.800 -0.144 0.000 1.103 124 F CA -2.726 55.181 58.000 -0.154 0.000 0.979 124 F CB 1.809 40.697 39.000 -0.187 0.000 1.137 124 F HN 0.185 nan 8.300 nan 0.000 0.463 125 P HA 0.212 nan 4.420 nan 0.000 0.296 125 P C -1.250 175.785 177.300 -0.442 0.000 1.306 125 P CA -0.483 61.863 63.100 -1.256 0.000 0.818 125 P CB 1.659 32.297 31.700 -1.771 0.000 0.969 126 Q N 3.413 123.077 119.800 -0.226 0.000 2.651 126 Q HA 0.042 4.382 4.340 0.001 0.000 0.224 126 Q C -1.238 174.720 176.000 -0.071 0.000 1.094 126 Q CA -0.964 54.748 55.803 -0.153 0.000 1.018 126 Q CB -0.177 28.370 28.738 -0.319 0.000 1.292 126 Q HN 0.407 nan 8.270 nan 0.000 0.588 127 P HA -0.207 nan 4.420 nan 0.000 0.211 127 P C 0.905 178.244 177.300 0.065 0.000 1.179 127 P CA 1.652 64.781 63.100 0.047 0.000 0.910 127 P CB 0.167 31.909 31.700 0.070 0.000 0.785 128 Q N -0.257 119.628 119.800 0.141 0.000 2.030 128 Q HA -0.141 4.199 4.340 0.001 0.000 0.204 128 Q C 2.419 178.424 176.000 0.009 0.000 0.986 128 Q CA 2.689 58.474 55.803 -0.031 0.000 0.843 128 Q CB -1.099 27.495 28.738 -0.240 0.000 0.904 128 Q HN 0.413 nan 8.270 nan 0.000 0.420 129 T N -0.989 113.685 114.554 0.199 0.000 2.849 129 T HA -0.228 4.122 4.350 0.001 0.000 0.270 129 T C 1.692 176.501 174.700 0.181 0.000 1.066 129 T CA 1.375 63.607 62.100 0.221 0.000 1.130 129 T CB -0.202 68.774 68.868 0.179 0.000 0.864 129 T HN 0.240 nan 8.240 nan 0.000 0.481 130 R N 1.223 121.777 120.500 0.090 0.000 2.066 130 R HA -0.061 4.280 4.340 0.001 0.000 0.232 130 R C 2.467 178.945 176.300 0.297 0.000 1.131 130 R CA 1.527 57.744 56.100 0.195 0.000 0.955 130 R CB -0.148 30.227 30.300 0.124 0.000 0.851 130 R HN 0.591 nan 8.270 nan 0.000 0.432 131 E N -0.611 119.682 120.200 0.155 0.000 2.017 131 E HA -0.223 4.128 4.350 0.001 0.000 0.193 131 E C 1.982 178.709 176.600 0.212 0.000 0.997 131 E CA 1.764 58.237 56.400 0.123 0.000 0.804 131 E CB -0.302 29.376 29.700 -0.037 0.000 0.757 131 E HN 0.583 nan 8.360 nan 0.000 0.448 132 H N -0.850 118.335 119.070 0.192 0.000 2.394 132 H HA -0.195 4.362 4.556 0.000 0.000 0.297 132 H C 1.928 177.405 175.328 0.249 0.000 1.113 132 H CA 1.281 57.438 56.048 0.181 0.000 1.277 132 H CB -0.098 29.753 29.762 0.149 0.000 1.370 132 H HN 0.138 nan 8.280 nan 0.000 0.506 133 F N 0.556 120.702 119.950 0.326 0.000 2.102 133 F HA -0.209 4.318 4.527 0.001 0.000 0.298 133 F C 2.210 178.281 175.800 0.453 0.000 1.105 133 F CA 0.991 59.194 58.000 0.338 0.000 1.239 133 F CB -0.471 38.738 39.000 0.349 0.000 0.991 133 F HN -0.113 nan 8.300 nan 0.000 0.474 134 V N 0.517 120.726 119.914 0.491 0.000 2.237 134 V HA -0.322 3.798 4.120 0.001 0.000 0.245 134 V C 2.729 178.979 176.094 0.259 0.000 1.046 134 V CA 1.942 64.479 62.300 0.396 0.000 1.007 134 V CB -1.632 30.374 31.823 0.306 0.000 0.638 134 V HN 0.446 nan 8.190 nan 0.000 0.445 135 A N -0.652 122.299 122.820 0.217 0.000 2.084 135 A HA -0.166 4.154 4.320 0.001 0.000 0.221 135 A C 2.167 179.797 177.584 0.076 0.000 1.161 135 A CA 1.690 53.815 52.037 0.147 0.000 0.653 135 A CB -0.573 18.539 19.000 0.186 0.000 0.802 135 A HN 0.551 nan 8.150 nan 0.000 0.457 136 L N -1.486 119.796 121.223 0.100 0.000 2.313 136 L HA 0.003 4.343 4.340 0.001 0.000 0.214 136 L C 2.604 179.314 176.870 -0.267 0.000 1.119 136 L CA 0.672 55.517 54.840 0.008 0.000 0.809 136 L CB -0.312 41.817 42.059 0.117 0.000 0.933 136 L HN 0.491 nan 8.230 nan 0.000 0.449 137 G N -0.087 108.464 108.800 -0.416 0.000 2.411 137 G HA2 -0.087 3.874 3.960 0.001 0.000 0.213 137 G HA3 -0.087 3.874 3.960 0.001 0.000 0.213 137 G C 1.569 176.075 174.900 -0.657 0.000 1.166 137 G CA 0.049 44.476 45.100 -1.122 0.000 0.802 137 G HN 0.137 nan 8.290 nan 0.000 0.533 138 I N 1.813 122.197 120.570 -0.309 0.000 2.118 138 I HA -0.224 3.947 4.170 0.001 0.000 0.241 138 I C 2.699 178.645 176.117 -0.286 0.000 1.070 138 I CA 1.628 62.807 61.300 -0.202 0.000 1.327 138 I CB -0.252 37.763 38.000 0.024 0.000 1.034 138 I HN 0.322 nan 8.210 nan 0.000 0.405 139 I N -0.615 119.832 120.570 -0.205 0.000 3.176 139 I HA 0.139 4.310 4.170 0.001 0.000 0.275 139 I C 1.248 177.195 176.117 -0.284 0.000 1.298 139 I CA 0.671 61.867 61.300 -0.173 0.000 1.445 139 I CB -1.044 36.901 38.000 -0.092 0.000 1.075 139 I HN 0.330 nan 8.210 nan 0.000 0.482 140 G N 2.134 110.660 108.800 -0.456 0.000 2.359 140 G HA2 -0.205 3.756 3.960 0.001 0.000 0.298 140 G HA3 -0.205 3.756 3.960 0.001 0.000 0.298 140 G C -0.123 174.560 174.900 -0.361 0.000 1.030 140 G CA 0.324 45.102 45.100 -0.536 0.000 1.149 140 G HN 0.352 nan 8.290 nan 0.000 0.512 141 V N 1.597 121.328 119.914 -0.304 0.000 2.257 141 V HA 0.229 4.350 4.120 0.001 0.000 0.269 141 V C 1.481 177.487 176.094 -0.147 0.000 1.040 141 V CA 0.155 62.352 62.300 -0.172 0.000 0.813 141 V CB 0.923 32.690 31.823 -0.094 0.000 1.065 141 V HN 0.790 nan 8.190 nan 0.000 0.457 142 K N 2.980 123.288 120.400 -0.153 0.000 2.026 142 K HA -0.049 4.272 4.320 0.001 0.000 0.208 142 K C 0.720 177.353 176.600 0.055 0.000 1.048 142 K CA 1.131 57.380 56.287 -0.063 0.000 0.929 142 K CB -0.132 32.325 32.500 -0.073 0.000 0.713 142 K HN 0.453 nan 8.250 nan 0.000 0.439 143 N N 1.863 120.582 118.700 0.032 0.000 2.394 143 N HA 0.043 4.783 4.740 0.001 0.000 0.288 143 N C -1.010 174.540 175.510 0.066 0.000 1.272 143 N CA 0.298 53.385 53.050 0.062 0.000 1.004 143 N CB 0.213 38.726 38.487 0.043 0.000 1.393 143 N HN 0.226 nan 8.380 nan 0.000 0.488 144 L N 2.898 124.170 121.223 0.081 0.000 2.354 144 L HA 0.675 5.015 4.340 0.001 0.000 0.269 144 L C -0.945 175.927 176.870 0.004 0.000 1.005 144 L CA -0.668 54.210 54.840 0.064 0.000 0.819 144 L CB 1.794 43.921 42.059 0.114 0.000 1.311 144 L HN 0.272 nan 8.230 nan 0.000 0.423 145 I N 4.577 125.148 120.570 0.001 0.000 2.582 145 I HA 0.424 4.594 4.170 0.001 0.000 0.292 145 I C -0.999 175.097 176.117 -0.034 0.000 1.066 145 I CA -0.537 60.732 61.300 -0.052 0.000 1.053 145 I CB 2.234 40.227 38.000 -0.012 0.000 1.241 145 I HN 0.483 nan 8.210 nan 0.000 0.421 146 I N 6.129 126.651 120.570 -0.079 0.000 2.339 146 I HA 0.322 4.493 4.170 0.001 0.000 0.290 146 I C -0.520 175.545 176.117 -0.087 0.000 0.994 146 I CA -0.783 60.470 61.300 -0.078 0.000 1.191 146 I CB 1.757 39.676 38.000 -0.135 0.000 1.343 146 I HN 0.143 nan 8.210 nan 0.000 0.458 147 V N 6.536 126.415 119.914 -0.059 0.000 2.350 147 V HA 0.174 4.295 4.120 0.001 0.000 0.276 147 V C 0.223 176.268 176.094 -0.080 0.000 1.028 147 V CA -0.515 61.751 62.300 -0.057 0.000 0.860 147 V CB 1.370 33.173 31.823 -0.033 0.000 0.990 147 V HN 0.727 nan 8.190 nan 0.000 0.453 148 Q N 4.514 124.258 119.800 -0.092 0.000 2.472 148 Q HA 0.208 4.549 4.340 0.001 0.000 0.227 148 Q C 0.079 176.026 176.000 -0.090 0.000 1.156 148 Q CA -0.260 55.474 55.803 -0.115 0.000 0.924 148 Q CB 0.229 28.905 28.738 -0.103 0.000 1.354 148 Q HN 0.792 nan 8.270 nan 0.000 0.525 149 N N 2.287 120.926 118.700 -0.101 0.000 2.424 149 N HA 0.055 4.795 4.740 0.001 0.000 0.257 149 N C -0.554 174.897 175.510 -0.099 0.000 1.250 149 N CA 0.235 53.231 53.050 -0.091 0.000 0.946 149 N CB 0.535 38.971 38.487 -0.085 0.000 1.175 149 N HN 0.581 nan 8.380 nan 0.000 0.477 150 K N -1.026 119.327 120.400 -0.078 0.000 3.281 150 K HA -0.179 4.141 4.320 0.001 0.000 0.295 150 K C 0.699 177.273 176.600 -0.044 0.000 1.233 150 K CA 0.567 56.816 56.287 -0.062 0.000 0.866 150 K CB -2.150 30.301 32.500 -0.082 0.000 1.265 150 K HN 0.317 nan 8.250 nan 0.000 0.482 151 V N 2.389 122.279 119.914 -0.040 0.000 2.688 151 V HA -0.230 3.890 4.120 0.001 0.000 0.256 151 V C 1.942 178.028 176.094 -0.014 0.000 1.084 151 V CA 2.621 64.903 62.300 -0.030 0.000 1.103 151 V CB -0.255 31.552 31.823 -0.026 0.000 0.688 151 V HN 0.471 nan 8.190 nan 0.000 0.480 152 D N -0.930 119.472 120.400 0.004 0.000 2.349 152 D HA -0.042 4.598 4.640 0.001 0.000 0.224 152 D C 1.401 177.712 176.300 0.017 0.000 1.029 152 D CA 0.677 54.688 54.000 0.018 0.000 0.879 152 D CB 0.164 40.998 40.800 0.057 0.000 0.906 152 D HN 0.439 nan 8.370 nan 0.000 0.528 153 V N 0.193 120.111 119.914 0.006 0.000 3.621 153 V HA 0.101 4.221 4.120 0.001 0.000 0.285 153 V C 0.833 176.920 176.094 -0.010 0.000 1.346 153 V CA 0.338 62.639 62.300 0.002 0.000 1.104 153 V CB 0.419 32.239 31.823 -0.005 0.000 0.913 153 V HN 0.311 nan 8.190 nan 0.000 0.432 154 V N -2.917 116.988 119.914 -0.015 0.000 3.130 154 V HA 0.783 4.903 4.120 0.001 0.000 0.310 154 V C -0.069 176.015 176.094 -0.017 0.000 1.158 154 V CA -0.721 61.568 62.300 -0.018 0.000 1.029 154 V CB 1.745 33.554 31.823 -0.024 0.000 1.057 154 V HN 0.168 nan 8.190 nan 0.000 0.436 155 S N 0.579 116.269 115.700 -0.016 0.000 2.584 155 S HA 0.212 4.682 4.470 0.001 0.000 0.270 155 S C 0.909 175.497 174.600 -0.020 0.000 1.346 155 S CA 0.263 58.453 58.200 -0.017 0.000 1.018 155 S CB 0.750 63.941 63.200 -0.015 0.000 0.899 155 S HN 1.087 nan 8.310 nan 0.000 0.542 156 K N 1.124 121.510 120.400 -0.022 0.000 2.211 156 K HA -0.193 4.127 4.320 0.001 0.000 0.204 156 K C 2.015 178.596 176.600 -0.030 0.000 1.047 156 K CA 1.730 58.000 56.287 -0.029 0.000 0.935 156 K CB -0.134 32.347 32.500 -0.032 0.000 0.728 156 K HN 0.850 nan 8.250 nan 0.000 0.452 157 E N 0.396 120.582 120.200 -0.024 0.000 2.060 157 E HA -0.220 4.130 4.350 0.001 0.000 0.189 157 E C 1.773 178.365 176.600 -0.013 0.000 0.974 157 E CA 0.970 57.357 56.400 -0.021 0.000 0.808 157 E CB -0.436 29.254 29.700 -0.017 0.000 0.768 157 E HN 0.429 nan 8.360 nan 0.000 0.453 158 E N 1.171 121.363 120.200 -0.012 0.000 2.160 158 E HA -0.187 4.163 4.350 0.001 0.000 0.195 158 E C 2.013 178.608 176.600 -0.008 0.000 0.991 158 E CA 1.300 57.695 56.400 -0.009 0.000 0.810 158 E CB -0.077 29.616 29.700 -0.013 0.000 0.742 158 E HN 0.357 nan 8.360 nan 0.000 0.466 159 A N 0.917 123.730 122.820 -0.012 0.000 1.855 159 A HA -0.116 4.204 4.320 0.001 0.000 0.215 159 A C 2.169 179.765 177.584 0.020 0.000 1.191 159 A CA 1.019 53.052 52.037 -0.007 0.000 0.613 159 A CB -0.651 18.339 19.000 -0.016 0.000 0.829 159 A HN 0.288 nan 8.150 nan 0.000 0.442 160 L N -0.102 121.119 121.223 -0.003 0.000 2.191 160 L HA -0.157 4.183 4.340 0.001 0.000 0.212 160 L C 2.838 179.740 176.870 0.054 0.000 1.103 160 L CA 1.311 56.146 54.840 -0.009 0.000 0.769 160 L CB -0.634 41.379 42.059 -0.077 0.000 0.908 160 L HN 0.567 nan 8.230 nan 0.000 0.438 161 S N 0.220 115.939 115.700 0.032 0.000 2.349 161 S HA -0.322 4.149 4.470 0.001 0.000 0.216 161 S C 2.023 176.658 174.600 0.057 0.000 1.033 161 S CA 1.920 60.144 58.200 0.039 0.000 1.021 161 S CB -0.285 62.927 63.200 0.021 0.000 0.968 161 S HN 0.525 nan 8.310 nan 0.000 0.426 162 Q N -1.003 118.816 119.800 0.032 0.000 2.173 162 Q HA -0.262 4.079 4.340 0.001 0.000 0.208 162 Q C 1.947 177.921 176.000 -0.044 0.000 0.989 162 Q CA 2.161 57.962 55.803 -0.004 0.000 0.872 162 Q CB -0.546 28.162 28.738 -0.050 0.000 0.909 162 Q HN 0.825 nan 8.270 nan 0.000 0.420 163 Y N 0.828 121.057 120.300 -0.118 0.000 2.114 163 Y HA -0.307 4.244 4.550 0.001 0.000 0.282 163 Y C 2.213 178.052 175.900 -0.102 0.000 1.165 163 Y CA 2.077 60.098 58.100 -0.132 0.000 1.148 163 Y CB -0.020 38.385 38.460 -0.092 0.000 0.972 163 Y HN 0.094 nan 8.280 nan 0.000 0.504 164 R N 0.450 121.081 120.500 0.218 0.000 2.083 164 R HA -0.195 4.146 4.340 0.001 0.000 0.237 164 R C 2.180 178.507 176.300 0.045 0.000 1.137 164 R CA 1.925 58.112 56.100 0.144 0.000 0.951 164 R CB -1.023 29.350 30.300 0.122 0.000 0.851 164 R HN 0.588 nan 8.270 nan 0.000 0.434 165 Q N 0.269 120.103 119.800 0.057 0.000 2.061 165 Q HA -0.122 4.219 4.340 0.001 0.000 0.204 165 Q C 2.315 178.422 176.000 0.178 0.000 0.984 165 Q CA 1.487 57.371 55.803 0.135 0.000 0.846 165 Q CB -0.253 28.617 28.738 0.220 0.000 0.902 165 Q HN 0.346 nan 8.270 nan 0.000 0.421 166 I N 0.531 121.037 120.570 -0.106 0.000 2.208 166 I HA -0.269 3.901 4.170 0.001 0.000 0.245 166 I C 2.198 178.234 176.117 -0.136 0.000 1.097 166 I CA 1.041 62.139 61.300 -0.336 0.000 1.363 166 I CB -0.169 37.344 38.000 -0.812 0.000 1.051 166 I HN 0.046 nan 8.210 nan 0.000 0.413 167 K N 0.305 120.578 120.400 -0.212 0.000 2.442 167 K HA -0.136 4.185 4.320 0.001 0.000 0.198 167 K C 1.954 178.535 176.600 -0.032 0.000 1.042 167 K CA 0.928 57.126 56.287 -0.149 0.000 0.958 167 K CB 0.077 32.490 32.500 -0.145 0.000 0.766 167 K HN 0.216 nan 8.250 nan 0.000 0.474 168 Q N -1.775 118.042 119.800 0.029 0.000 2.373 168 Q HA 0.085 4.425 4.340 0.001 0.000 0.210 168 Q C 1.471 177.497 176.000 0.043 0.000 0.913 168 Q CA 0.464 56.289 55.803 0.037 0.000 0.911 168 Q CB -0.006 28.764 28.738 0.053 0.000 1.040 168 Q HN 0.328 nan 8.270 nan 0.000 0.521 169 F N 1.763 121.683 119.950 -0.051 0.000 2.325 169 F HA -0.098 4.429 4.527 0.000 0.000 0.299 169 F C 1.842 177.479 175.800 -0.271 0.000 1.090 169 F CA 1.718 59.634 58.000 -0.140 0.000 1.392 169 F CB 0.235 39.223 39.000 -0.020 0.000 1.053 169 F HN 0.048 nan 8.300 nan 0.000 0.521 170 T N -2.698 111.838 114.554 -0.030 0.000 3.122 170 T HA 0.118 4.468 4.350 0.001 0.000 0.250 170 T C 1.617 176.257 174.700 -0.100 0.000 1.067 170 T CA 0.273 62.304 62.100 -0.115 0.000 0.966 170 T CB -0.048 68.791 68.868 -0.048 0.000 1.002 170 T HN 0.110 nan 8.240 nan 0.000 0.542 171 K N 2.892 123.236 120.400 -0.094 0.000 2.063 171 K HA -0.207 4.113 4.320 0.001 0.000 0.225 171 K C 1.409 177.983 176.600 -0.044 0.000 0.954 171 K CA 2.478 58.728 56.287 -0.062 0.000 0.988 171 K CB -1.200 31.254 32.500 -0.078 0.000 0.842 171 K HN 0.563 nan 8.250 nan 0.000 0.475 172 G N -0.798 107.972 108.800 -0.050 0.000 4.773 172 G HA2 0.221 4.181 3.960 0.001 0.000 0.269 172 G HA3 0.221 4.181 3.960 0.001 0.000 0.269 172 G C -0.138 174.763 174.900 0.002 0.000 0.992 172 G CA 0.222 45.313 45.100 -0.015 0.000 0.775 172 G HN 0.660 nan 8.290 nan 0.000 0.471 173 T N -2.863 111.679 114.554 -0.020 0.000 2.924 173 T HA 0.299 4.650 4.350 0.001 0.000 0.301 173 T C 1.536 176.295 174.700 0.098 0.000 1.120 173 T CA 0.143 62.260 62.100 0.028 0.000 0.940 173 T CB 0.649 69.485 68.868 -0.053 0.000 1.591 173 T HN 0.493 nan 8.240 nan 0.000 0.578 174 W N 0.613 121.968 121.300 0.091 0.000 2.388 174 W HA 0.286 4.946 4.660 0.001 0.000 0.294 174 W C 1.837 178.397 176.519 0.068 0.000 1.212 174 W CA 0.857 58.230 57.345 0.047 0.000 1.271 174 W CB -0.971 28.485 29.460 -0.008 0.000 1.126 174 W HN 0.624 nan 8.180 nan 0.000 0.535 175 A N 0.824 123.382 122.820 -0.437 0.000 2.291 175 A HA 0.041 4.361 4.320 0.001 0.000 0.220 175 A C 1.816 179.363 177.584 -0.061 0.000 1.262 175 A CA 0.757 52.646 52.037 -0.247 0.000 0.867 175 A CB -1.076 17.738 19.000 -0.310 0.000 0.888 175 A HN 0.548 nan 8.150 nan 0.000 0.487 176 E N 0.568 120.753 120.200 -0.026 0.000 2.136 176 E HA -0.259 4.091 4.350 0.001 0.000 0.202 176 E C 0.746 177.338 176.600 -0.013 0.000 1.019 176 E CA 1.858 58.250 56.400 -0.014 0.000 0.819 176 E CB -0.055 29.654 29.700 0.014 0.000 0.739 176 E HN 0.669 nan 8.360 nan 0.000 0.458 177 N N -0.709 117.994 118.700 0.005 0.000 2.235 177 N HA 0.089 4.830 4.740 0.001 0.000 0.209 177 N C -1.097 174.378 175.510 -0.058 0.000 1.122 177 N CA -0.119 52.930 53.050 -0.002 0.000 0.845 177 N CB 1.137 39.650 38.487 0.042 0.000 1.004 177 N HN -0.104 nan 8.380 nan 0.000 0.499 178 V N 3.578 123.448 119.914 -0.073 0.000 2.599 178 V HA 0.070 4.190 4.120 0.001 0.000 0.300 178 V C -1.737 174.220 176.094 -0.228 0.000 1.034 178 V CA -0.875 61.342 62.300 -0.138 0.000 1.115 178 V CB 0.473 32.259 31.823 -0.062 0.000 0.934 178 V HN 0.174 nan 8.190 nan 0.000 0.485 179 P HA 0.364 nan 4.420 nan 0.000 0.279 179 P C -0.840 176.320 177.300 -0.234 0.000 1.239 179 P CA -0.275 62.611 63.100 -0.356 0.000 0.789 179 P CB 1.108 32.396 31.700 -0.687 0.000 0.933 180 I N 3.853 124.326 120.570 -0.161 0.000 2.339 180 I HA 0.392 4.563 4.170 0.001 0.000 0.290 180 I C 0.342 176.455 176.117 -0.007 0.000 0.994 180 I CA -0.687 60.527 61.300 -0.143 0.000 1.191 180 I CB 1.042 38.850 38.000 -0.320 0.000 1.343 180 I HN 0.111 nan 8.210 nan 0.000 0.458 181 I N 8.479 129.033 120.570 -0.027 0.000 2.382 181 I HA 0.346 4.517 4.170 0.001 0.000 0.286 181 I C -2.383 173.729 176.117 -0.008 0.000 1.002 181 I CA -1.996 59.307 61.300 0.005 0.000 1.135 181 I CB 1.959 39.961 38.000 0.002 0.000 1.288 181 I HN 0.266 nan 8.210 nan 0.000 0.448 182 P HA 0.280 nan 4.420 nan 0.000 0.286 182 P C -0.720 176.571 177.300 -0.015 0.000 1.269 182 P CA -0.098 62.997 63.100 -0.009 0.000 0.787 182 P CB 1.877 33.581 31.700 0.006 0.000 0.920 183 V N -0.249 119.648 119.914 -0.028 0.000 3.181 183 V HA 0.773 4.893 4.120 0.001 0.000 0.307 183 V C -0.893 175.182 176.094 -0.032 0.000 1.310 183 V CA -1.017 61.266 62.300 -0.027 0.000 1.067 183 V CB 1.707 33.509 31.823 -0.035 0.000 1.081 183 V HN 0.497 nan 8.190 nan 0.000 0.453 184 S N -0.177 115.506 115.700 -0.028 0.000 2.524 184 S HA 0.701 5.171 4.470 0.001 0.000 0.227 184 S C 0.806 175.367 174.600 -0.064 0.000 1.304 184 S CA 0.256 58.436 58.200 -0.032 0.000 1.185 184 S CB 0.713 63.929 63.200 0.027 0.000 1.104 184 S HN 1.814 nan 8.310 nan 0.000 0.475 185 A N 4.674 127.433 122.820 -0.101 0.000 1.883 185 A HA -0.007 4.314 4.320 0.001 0.000 0.217 185 A C 1.986 179.466 177.584 -0.173 0.000 1.186 185 A CA 1.329 53.288 52.037 -0.131 0.000 0.624 185 A CB -0.773 18.141 19.000 -0.144 0.000 0.822 185 A HN 0.777 nan 8.150 nan 0.000 0.444 186 L N -1.304 119.775 121.223 -0.241 0.000 2.012 186 L HA -0.218 4.122 4.340 0.001 0.000 0.210 186 L C 1.736 178.378 176.870 -0.380 0.000 1.073 186 L CA 2.007 56.621 54.840 -0.376 0.000 0.748 186 L CB -0.319 41.400 42.059 -0.567 0.000 0.891 186 L HN 0.635 nan 8.230 nan 0.000 0.431 187 H N -1.093 117.946 119.070 -0.052 0.000 2.505 187 H HA 0.117 4.673 4.556 0.001 0.000 0.286 187 H C -0.262 175.044 175.328 -0.036 0.000 1.072 187 H CA -0.497 55.528 56.048 -0.039 0.000 1.141 187 H CB 0.316 30.060 29.762 -0.030 0.000 1.550 187 H HN 0.003 nan 8.280 nan 0.000 0.547 188 K N 1.130 121.542 120.400 0.020 0.000 3.451 188 K HA -0.140 4.180 4.320 0.001 0.000 0.273 188 K C -1.102 175.510 176.600 0.020 0.000 0.944 188 K CA 0.282 56.571 56.287 0.004 0.000 0.734 188 K CB -1.221 31.282 32.500 0.005 0.000 1.437 188 K HN 0.399 nan 8.250 nan 0.000 0.454 189 I N 1.041 121.622 120.570 0.019 0.000 2.354 189 I HA 0.181 4.351 4.170 0.001 0.000 0.292 189 I C 1.104 177.224 176.117 0.005 0.000 0.989 189 I CA -0.480 60.831 61.300 0.018 0.000 1.188 189 I CB 1.293 39.308 38.000 0.024 0.000 1.342 189 I HN 0.549 nan 8.210 nan 0.000 0.457 190 N N 4.801 123.506 118.700 0.009 0.000 2.735 190 N HA -0.184 4.556 4.740 0.001 0.000 0.248 190 N C 0.763 176.277 175.510 0.006 0.000 1.083 190 N CA 0.288 53.344 53.050 0.010 0.000 0.703 190 N CB -0.360 38.130 38.487 0.006 0.000 1.005 190 N HN 0.507 nan 8.380 nan 0.000 0.550 191 I N -0.309 120.264 120.570 0.004 0.000 2.546 191 I HA -0.139 4.031 4.170 0.001 0.000 0.255 191 I C 1.402 177.524 176.117 0.008 0.000 1.163 191 I CA 1.224 62.521 61.300 -0.005 0.000 1.457 191 I CB -0.917 37.076 38.000 -0.012 0.000 1.092 191 I HN 0.282 nan 8.210 nan 0.000 0.434 192 D N 0.580 121.000 120.400 0.032 0.000 2.178 192 D HA -0.122 4.518 4.640 0.001 0.000 0.202 192 D C 2.296 178.608 176.300 0.020 0.000 0.974 192 D CA 1.054 55.090 54.000 0.060 0.000 0.841 192 D CB -0.057 40.808 40.800 0.108 0.000 0.953 192 D HN 0.117 nan 8.370 nan 0.000 0.478 193 S N 0.301 116.012 115.700 0.019 0.000 2.368 193 S HA -0.113 4.358 4.470 0.001 0.000 0.225 193 S C 1.734 176.322 174.600 -0.020 0.000 1.030 193 S CA 0.394 58.599 58.200 0.008 0.000 0.999 193 S CB -0.239 62.974 63.200 0.022 0.000 0.844 193 S HN 0.190 nan 8.310 nan 0.000 0.459 194 L N 1.927 123.140 121.223 -0.017 0.000 2.046 194 L HA 0.030 4.370 4.340 0.001 0.000 0.208 194 L C 1.873 178.716 176.870 -0.044 0.000 1.077 194 L CA 1.585 56.416 54.840 -0.015 0.000 0.747 194 L CB -0.538 41.512 42.059 -0.014 0.000 0.896 194 L HN 0.295 nan 8.230 nan 0.000 0.432 195 I N -0.600 119.921 120.570 -0.082 0.000 2.252 195 I HA -0.265 3.906 4.170 0.001 0.000 0.245 195 I C 2.502 178.377 176.117 -0.404 0.000 1.102 195 I CA 1.570 62.779 61.300 -0.151 0.000 1.385 195 I CB -0.432 37.516 38.000 -0.087 0.000 1.064 195 I HN 0.458 nan 8.210 nan 0.000 0.414 196 E N 1.353 121.221 120.200 -0.554 0.000 2.077 196 E HA -0.200 4.150 4.350 0.001 0.000 0.193 196 E C 2.252 178.659 176.600 -0.321 0.000 0.989 196 E CA 1.431 57.357 56.400 -0.790 0.000 0.800 196 E CB -0.215 29.248 29.700 -0.396 0.000 0.746 196 E HN 0.486 nan 8.360 nan 0.000 0.452 197 G N 1.607 110.338 108.800 -0.115 0.000 2.476 197 G HA2 -0.271 3.689 3.960 0.001 0.000 0.218 197 G HA3 -0.271 3.689 3.960 0.001 0.000 0.218 197 G C 1.613 176.563 174.900 0.083 0.000 1.164 197 G CA 1.091 46.239 45.100 0.079 0.000 0.768 197 G HN 0.296 nan 8.290 nan 0.000 0.560 198 I N 0.531 121.103 120.570 0.003 0.000 2.361 198 I HA -0.120 4.051 4.170 0.001 0.000 0.251 198 I C 2.615 178.702 176.117 -0.051 0.000 1.133 198 I CA 0.946 62.251 61.300 0.009 0.000 1.413 198 I CB -0.121 37.888 38.000 0.016 0.000 1.073 198 I HN 0.144 nan 8.210 nan 0.000 0.424 199 E N 0.750 120.871 120.200 -0.133 0.000 2.216 199 E HA -0.148 4.203 4.350 0.001 0.000 0.192 199 E C 1.909 178.427 176.600 -0.137 0.000 0.988 199 E CA 0.941 57.260 56.400 -0.135 0.000 0.834 199 E CB 0.020 29.617 29.700 -0.171 0.000 0.772 199 E HN 0.618 nan 8.360 nan 0.000 0.479 200 E N -0.694 119.389 120.200 -0.195 0.000 2.140 200 E HA -0.052 4.298 4.350 0.001 0.000 0.191 200 E C 1.097 177.410 176.600 -0.478 0.000 0.973 200 E CA 0.530 56.705 56.400 -0.375 0.000 0.829 200 E CB 0.076 29.430 29.700 -0.576 0.000 0.781 200 E HN 0.261 nan 8.360 nan 0.000 0.466 201 Y N -0.279 120.005 120.300 -0.027 0.000 2.444 201 Y HA 0.323 4.874 4.550 0.001 0.000 0.249 201 Y C 0.696 176.587 175.900 -0.015 0.000 1.134 201 Y CA 0.091 58.183 58.100 -0.012 0.000 1.261 201 Y CB 0.923 39.382 38.460 -0.002 0.000 1.143 201 Y HN -0.128 nan 8.280 nan 0.000 0.523 202 I N 1.055 121.671 120.570 0.076 0.000 2.871 202 I HA 0.185 4.356 4.170 0.001 0.000 0.284 202 I C -0.785 175.319 176.117 -0.022 0.000 1.390 202 I CA -0.457 60.860 61.300 0.029 0.000 0.958 202 I CB 0.528 38.538 38.000 0.015 0.000 1.618 202 I HN -0.142 nan 8.210 nan 0.000 0.595 203 K N 2.101 122.487 120.400 -0.023 0.000 2.185 203 K HA 0.408 4.728 4.320 0.001 0.000 0.271 203 K C 0.196 176.776 176.600 -0.034 0.000 1.013 203 K CA -0.490 55.774 56.287 -0.039 0.000 0.943 203 K CB 0.975 33.453 32.500 -0.035 0.000 0.998 203 K HN 0.223 nan 8.250 nan 0.000 0.468 204 T N 3.957 118.484 114.554 -0.045 0.000 2.928 204 T HA 0.080 4.430 4.350 0.001 0.000 0.305 204 T C -2.049 172.645 174.700 -0.009 0.000 1.035 204 T CA -1.041 61.035 62.100 -0.040 0.000 1.145 204 T CB 0.076 68.913 68.868 -0.052 0.000 0.963 204 T HN 0.342 nan 8.240 nan 0.000 0.545 205 P HA 0.129 nan 4.420 nan 0.000 0.272 205 P C -0.660 176.676 177.300 0.059 0.000 1.230 205 P CA -0.668 62.449 63.100 0.028 0.000 0.788 205 P CB 0.281 31.985 31.700 0.008 0.000 0.949 206 Y N 2.592 122.881 120.300 -0.019 0.000 2.511 206 Y HA 0.147 4.698 4.550 0.001 0.000 0.332 206 Y C 0.050 175.942 175.900 -0.013 0.000 1.177 206 Y CA 0.058 58.149 58.100 -0.016 0.000 1.422 206 Y CB 0.404 38.857 38.460 -0.012 0.000 1.271 206 Y HN 0.187 nan 8.280 nan 0.000 0.550 207 R N 5.337 125.475 120.500 -0.604 0.000 2.388 207 R HA 0.143 4.483 4.340 0.001 0.000 0.314 207 R C -1.225 174.598 176.300 -0.795 0.000 0.959 207 R CA -0.753 55.004 56.100 -0.572 0.000 0.851 207 R CB 0.902 31.050 30.300 -0.254 0.000 1.168 207 R HN 0.736 nan 8.270 nan 0.000 0.472 208 D N 4.952 124.899 120.400 -0.754 0.000 2.435 208 D HA 0.026 4.666 4.640 0.001 0.000 0.230 208 D C 1.004 177.168 176.300 -0.226 0.000 1.215 208 D CA -0.371 53.363 54.000 -0.443 0.000 0.947 208 D CB 0.730 41.394 40.800 -0.227 0.000 1.048 208 D HN 0.261 nan 8.370 nan 0.000 0.512 209 L N 2.866 123.983 121.223 -0.177 0.000 2.450 209 L HA -0.147 4.194 4.340 0.001 0.000 0.225 209 L C 2.229 179.042 176.870 -0.095 0.000 1.145 209 L CA 1.169 55.939 54.840 -0.117 0.000 0.801 209 L CB -1.611 40.400 42.059 -0.080 0.000 0.924 209 L HN 0.336 nan 8.230 nan 0.000 0.447 210 S N -2.431 113.221 115.700 -0.080 0.000 2.483 210 S HA 0.057 4.527 4.470 0.001 0.000 0.221 210 S C 0.998 175.556 174.600 -0.070 0.000 1.030 210 S CA -0.457 57.705 58.200 -0.064 0.000 0.925 210 S CB -0.353 62.827 63.200 -0.033 0.000 0.795 210 S HN 0.519 nan 8.310 nan 0.000 0.511 211 Q N 2.466 122.224 119.800 -0.069 0.000 2.380 211 Q HA -0.052 4.289 4.340 0.001 0.000 0.338 211 Q C 0.036 175.989 176.000 -0.078 0.000 1.193 211 Q CA 0.521 56.292 55.803 -0.053 0.000 1.023 211 Q CB 0.269 28.977 28.738 -0.050 0.000 1.252 211 Q HN 0.616 nan 8.270 nan 0.000 0.422 212 K N 1.863 122.232 120.400 -0.051 0.000 2.484 212 K HA 0.159 4.479 4.320 0.001 0.000 0.280 212 K C -2.614 173.900 176.600 -0.144 0.000 1.013 212 K CA -1.365 54.873 56.287 -0.080 0.000 1.029 212 K CB 0.077 32.566 32.500 -0.018 0.000 0.902 212 K HN 0.131 nan 8.250 nan 0.000 0.481 213 P HA 0.047 nan 4.420 nan 0.000 0.271 213 P C -1.125 176.092 177.300 -0.138 0.000 1.226 213 P CA -0.316 62.480 63.100 -0.507 0.000 0.765 213 P CB 0.977 31.861 31.700 -1.360 0.000 0.835 214 V N 4.631 124.577 119.914 0.054 0.000 2.808 214 V HA 0.527 4.647 4.120 0.001 0.000 0.308 214 V C -0.340 175.740 176.094 -0.023 0.000 1.099 214 V CA -0.544 61.752 62.300 -0.007 0.000 0.920 214 V CB 2.151 33.706 31.823 -0.447 0.000 1.014 214 V HN 0.543 nan 8.190 nan 0.000 0.425 215 M N 4.930 124.431 119.600 -0.166 0.000 2.530 215 M HA 0.688 5.168 4.480 0.001 0.000 0.307 215 M C -2.082 174.010 176.300 -0.346 0.000 1.161 215 M CA -0.752 54.370 55.300 -0.296 0.000 0.903 215 M CB 2.235 34.542 32.600 -0.489 0.000 1.711 215 M HN 0.576 nan 8.290 nan 0.000 0.451 216 L N 4.757 125.794 121.223 -0.310 0.000 2.277 216 L HA 0.424 4.764 4.340 0.001 0.000 0.284 216 L C -0.731 175.997 176.870 -0.236 0.000 1.028 216 L CA -1.055 53.620 54.840 -0.274 0.000 0.835 216 L CB 1.337 43.258 42.059 -0.230 0.000 1.215 216 L HN 0.450 nan 8.230 nan 0.000 0.425 217 V N 5.140 124.917 119.914 -0.230 0.000 2.450 217 V HA -0.003 4.117 4.120 0.001 0.000 0.281 217 V C 1.231 177.212 176.094 -0.189 0.000 1.019 217 V CA 0.327 62.491 62.300 -0.226 0.000 1.062 217 V CB 0.746 32.439 31.823 -0.217 0.000 0.979 217 V HN 0.752 nan 8.190 nan 0.000 0.477 218 I N 0.995 121.449 120.570 -0.194 0.000 4.288 218 I HA 0.504 4.675 4.170 0.001 0.000 0.331 218 I C 0.745 176.768 176.117 -0.157 0.000 1.322 218 I CA 0.188 61.397 61.300 -0.152 0.000 1.149 218 I CB 0.372 38.290 38.000 -0.136 0.000 1.112 218 I HN 0.395 nan 8.210 nan 0.000 0.403 219 R N 1.594 121.958 120.500 -0.226 0.000 2.680 219 R HA 0.625 4.965 4.340 0.001 0.000 0.269 219 R C -1.403 174.592 176.300 -0.508 0.000 1.026 219 R CA -0.021 55.908 56.100 -0.284 0.000 0.889 219 R CB 2.481 32.650 30.300 -0.217 0.000 1.241 219 R HN 0.385 nan 8.270 nan 0.000 0.463 220 S N 1.083 116.375 115.700 -0.680 0.000 2.558 220 S HA 0.822 5.292 4.470 0.001 0.000 0.277 220 S C -1.401 172.751 174.600 -0.747 0.000 1.143 220 S CA -0.797 56.909 58.200 -0.823 0.000 0.865 220 S CB 1.490 64.459 63.200 -0.386 0.000 1.102 220 S HN 0.464 nan 8.310 nan 0.000 0.454 221 F N -0.952 118.960 119.950 -0.063 0.000 2.799 221 F HA 0.630 5.157 4.527 0.000 0.000 0.316 221 F C -1.381 174.389 175.800 -0.051 0.000 1.155 221 F CA -1.247 56.723 58.000 -0.050 0.000 0.916 221 F CB -0.026 38.946 39.000 -0.047 0.000 1.294 221 F HN 0.593 nan 8.300 nan 0.000 0.447 222 D N 1.022 121.562 120.400 0.234 0.000 2.339 222 D HA 0.266 4.907 4.640 0.001 0.000 0.241 222 D C 0.278 176.624 176.300 0.076 0.000 1.183 222 D CA 0.230 54.296 54.000 0.110 0.000 0.859 222 D CB 1.834 42.669 40.800 0.058 0.000 1.067 222 D HN 0.532 nan 8.370 nan 0.000 0.484 223 V N 4.106 124.054 119.914 0.057 0.000 3.649 223 V HA 0.053 4.173 4.120 0.001 0.000 0.275 223 V C 0.211 176.277 176.094 -0.048 0.000 1.281 223 V CA 0.099 62.383 62.300 -0.028 0.000 1.143 223 V CB -0.759 31.059 31.823 -0.008 0.000 0.892 223 V HN 0.442 nan 8.190 nan 0.000 0.441 224 N N 1.516 120.197 118.700 -0.032 0.000 2.513 224 N HA 0.144 4.884 4.740 0.001 0.000 0.268 224 N C -0.226 175.264 175.510 -0.033 0.000 1.180 224 N CA -0.074 52.954 53.050 -0.036 0.000 0.948 224 N CB 0.510 38.976 38.487 -0.035 0.000 1.083 224 N HN 0.129 nan 8.380 nan 0.000 0.455 225 K N 2.124 122.504 120.400 -0.034 0.000 2.107 225 K HA 0.370 4.690 4.320 0.001 0.000 0.251 225 K C -2.265 174.325 176.600 -0.017 0.000 1.012 225 K CA -1.747 54.522 56.287 -0.031 0.000 0.920 225 K CB -0.080 32.401 32.500 -0.032 0.000 1.033 225 K HN 0.336 nan 8.250 nan 0.000 0.478 226 P HA 0.118 nan 4.420 nan 0.000 0.271 226 P C 0.454 177.755 177.300 0.001 0.000 1.218 226 P CA 0.417 63.515 63.100 -0.003 0.000 0.780 226 P CB 0.471 32.167 31.700 -0.006 0.000 0.901 227 G N 0.881 109.687 108.800 0.011 0.000 2.176 227 G HA2 -0.219 3.741 3.960 0.001 0.000 0.253 227 G HA3 -0.219 3.741 3.960 0.001 0.000 0.253 227 G C 0.347 175.258 174.900 0.018 0.000 0.979 227 G CA 0.044 45.153 45.100 0.014 0.000 0.641 227 G HN 0.609 nan 8.290 nan 0.000 0.530 228 T N 2.432 116.996 114.554 0.017 0.000 2.930 228 T HA 0.426 4.776 4.350 0.001 0.000 0.306 228 T C 0.470 175.195 174.700 0.040 0.000 1.045 228 T CA 0.037 62.145 62.100 0.014 0.000 1.134 228 T CB 1.129 69.994 68.868 -0.005 0.000 0.961 228 T HN 0.274 nan 8.240 nan 0.000 0.545 229 Q N 1.828 121.652 119.800 0.039 0.000 2.327 229 Q HA 0.208 4.548 4.340 0.001 0.000 0.254 229 Q C 0.881 176.942 176.000 0.103 0.000 0.952 229 Q CA -0.389 55.460 55.803 0.076 0.000 0.884 229 Q CB 0.337 29.110 28.738 0.058 0.000 1.224 229 Q HN 0.689 nan 8.270 nan 0.000 0.422 230 F N 3.291 123.244 119.950 0.004 0.000 2.154 230 F HA -0.301 4.227 4.527 0.001 0.000 0.301 230 F C 1.458 177.263 175.800 0.009 0.000 1.087 230 F CA 2.213 60.217 58.000 0.007 0.000 1.274 230 F CB 0.009 39.013 39.000 0.008 0.000 1.009 230 F HN 0.748 nan 8.300 nan 0.000 0.485 231 N N -1.109 117.663 118.700 0.120 0.000 2.515 231 N HA -0.096 4.645 4.740 0.001 0.000 0.185 231 N C 0.871 176.368 175.510 -0.022 0.000 1.109 231 N CA 0.919 53.995 53.050 0.043 0.000 0.903 231 N CB -0.288 38.247 38.487 0.080 0.000 0.969 231 N HN 0.205 nan 8.380 nan 0.000 0.450 232 E N -0.037 120.141 120.200 -0.036 0.000 2.548 232 E HA 0.143 4.493 4.350 0.001 0.000 0.206 232 E C -0.153 176.395 176.600 -0.086 0.000 1.005 232 E CA -0.301 56.072 56.400 -0.045 0.000 0.951 232 E CB 0.405 30.094 29.700 -0.018 0.000 1.035 232 E HN 0.293 nan 8.360 nan 0.000 0.470 233 L N 1.377 122.504 121.223 -0.160 0.000 2.467 233 L HA 0.142 4.482 4.340 0.001 0.000 0.270 233 L C 0.675 177.451 176.870 -0.156 0.000 1.205 233 L CA 0.720 55.445 54.840 -0.193 0.000 0.828 233 L CB 0.306 42.146 42.059 -0.366 0.000 1.101 233 L HN -0.199 nan 8.230 nan 0.000 0.479 234 K N 1.241 121.564 120.400 -0.128 0.000 2.316 234 K HA 0.440 4.760 4.320 0.001 0.000 0.251 234 K C -0.000 176.530 176.600 -0.116 0.000 0.934 234 K CA -0.644 55.571 56.287 -0.121 0.000 0.802 234 K CB 2.022 34.465 32.500 -0.095 0.000 1.171 234 K HN 0.759 nan 8.250 nan 0.000 0.426 235 G N 0.649 109.362 108.800 -0.145 0.000 2.690 235 G HA2 0.201 4.161 3.960 0.001 0.000 0.239 235 G HA3 0.201 4.161 3.960 0.001 0.000 0.239 235 G C 0.309 175.162 174.900 -0.078 0.000 1.233 235 G CA -0.285 44.745 45.100 -0.116 0.000 0.847 235 G HN 0.572 nan 8.290 nan 0.000 0.588 236 G N -1.721 107.049 108.800 -0.049 0.000 2.630 236 G HA2 0.407 4.368 3.960 0.001 0.000 0.236 236 G HA3 0.407 4.368 3.960 0.001 0.000 0.236 236 G C -0.383 174.485 174.900 -0.052 0.000 1.248 236 G CA -0.186 44.894 45.100 -0.032 0.000 0.844 236 G HN 0.714 nan 8.290 nan 0.000 0.588 237 V N 1.832 121.728 119.914 -0.031 0.000 2.555 237 V HA 0.466 4.587 4.120 0.001 0.000 0.302 237 V C 0.003 175.925 176.094 -0.287 0.000 1.038 237 V CA -0.527 61.728 62.300 -0.074 0.000 0.887 237 V CB 1.716 33.613 31.823 0.122 0.000 0.991 237 V HN 0.591 nan 8.190 nan 0.000 0.434 238 I N 3.354 123.751 120.570 -0.289 0.000 2.410 238 I HA 0.627 4.798 4.170 0.001 0.000 0.286 238 I C 0.545 176.442 176.117 -0.367 0.000 1.009 238 I CA -0.273 60.806 61.300 -0.369 0.000 1.111 238 I CB 1.904 39.732 38.000 -0.286 0.000 1.262 238 I HN 0.739 nan 8.210 nan 0.000 0.443 239 G N 3.618 112.158 108.800 -0.433 0.000 2.372 239 G HA2 0.756 4.717 3.960 0.001 0.000 0.323 239 G HA3 0.756 4.717 3.960 0.001 0.000 0.323 239 G C -0.346 174.367 174.900 -0.313 0.000 1.152 239 G CA -0.445 44.451 45.100 -0.340 0.000 0.906 239 G HN 0.821 nan 8.290 nan 0.000 0.460 240 G N -0.534 108.081 108.800 -0.308 0.000 2.753 240 G HA2 0.603 4.563 3.960 0.001 0.000 0.303 240 G HA3 0.603 4.563 3.960 0.001 0.000 0.303 240 G C -1.288 173.457 174.900 -0.258 0.000 1.242 240 G CA -0.088 44.847 45.100 -0.274 0.000 0.810 240 G HN 1.047 nan 8.290 nan 0.000 0.515 241 S N -0.796 114.775 115.700 -0.216 0.000 2.557 241 S HA 0.621 5.091 4.470 0.001 0.000 0.291 241 S C -0.611 173.899 174.600 -0.150 0.000 1.116 241 S CA -0.621 57.485 58.200 -0.157 0.000 0.992 241 S CB 0.870 64.004 63.200 -0.110 0.000 1.028 241 S HN 0.484 nan 8.310 nan 0.000 0.484 242 I N 6.154 126.671 120.570 -0.088 0.000 2.396 242 I HA 0.140 4.310 4.170 0.001 0.000 0.289 242 I C 0.914 177.004 176.117 -0.045 0.000 1.056 242 I CA -0.516 60.762 61.300 -0.037 0.000 1.365 242 I CB 0.768 38.818 38.000 0.083 0.000 1.407 242 I HN 0.673 nan 8.210 nan 0.000 0.509 243 I N 4.815 125.326 120.570 -0.099 0.000 2.277 243 I HA -0.099 4.071 4.170 0.001 0.000 0.243 243 I C 1.055 177.136 176.117 -0.060 0.000 1.094 243 I CA 1.402 62.641 61.300 -0.101 0.000 1.393 243 I CB -0.839 37.039 38.000 -0.204 0.000 1.078 243 I HN 0.715 nan 8.210 nan 0.000 0.417 244 Q N -1.129 118.632 119.800 -0.064 0.000 2.707 244 Q HA 0.540 4.881 4.340 0.001 0.000 0.307 244 Q C 0.187 176.140 176.000 -0.079 0.000 0.934 244 Q CA -0.405 55.361 55.803 -0.063 0.000 0.753 244 Q CB 1.820 30.530 28.738 -0.046 0.000 1.478 244 Q HN 0.224 nan 8.270 nan 0.000 0.458 245 G N 0.232 108.963 108.800 -0.115 0.000 2.569 245 G HA2 -0.012 3.949 3.960 0.001 0.000 0.259 245 G HA3 -0.012 3.949 3.960 0.001 0.000 0.259 245 G C -0.898 173.902 174.900 -0.168 0.000 1.263 245 G CA 0.324 45.317 45.100 -0.179 0.000 0.928 245 G HN 1.689 nan 8.290 nan 0.000 0.572 246 L N -3.404 117.645 121.223 -0.291 0.000 2.591 246 L HA 0.869 5.210 4.340 0.001 0.000 0.257 246 L C -1.093 175.597 176.870 -0.300 0.000 0.935 246 L CA -1.339 53.413 54.840 -0.147 0.000 0.873 246 L CB 1.208 43.228 42.059 -0.065 0.000 1.397 246 L HN 0.796 nan 8.230 nan 0.000 0.414 247 F N 1.084 121.025 119.950 -0.014 0.000 2.523 247 F HA 0.858 5.386 4.527 0.001 0.000 0.329 247 F C 0.217 176.028 175.800 0.018 0.000 1.061 247 F CA -0.415 57.579 58.000 -0.009 0.000 0.967 247 F CB 2.157 41.140 39.000 -0.029 0.000 1.218 247 F HN 0.454 nan 8.300 nan 0.000 0.480 248 K N 0.409 120.933 120.400 0.206 0.000 2.477 248 K HA 0.591 4.911 4.320 0.001 0.000 0.255 248 K C -1.409 175.273 176.600 0.136 0.000 0.952 248 K CA -1.114 55.258 56.287 0.142 0.000 0.826 248 K CB 2.614 35.167 32.500 0.089 0.000 1.331 248 K HN 0.247 nan 8.250 nan 0.000 0.437 249 V N 2.574 122.559 119.914 0.118 0.000 2.901 249 V HA -0.117 4.003 4.120 0.001 0.000 0.307 249 V C 0.560 176.718 176.094 0.107 0.000 1.084 249 V CA 0.928 63.293 62.300 0.108 0.000 1.184 249 V CB 0.085 31.966 31.823 0.097 0.000 0.941 249 V HN 0.923 nan 8.190 nan 0.000 0.493 250 D N 0.636 121.112 120.400 0.127 0.000 3.046 250 D HA -0.182 4.459 4.640 0.001 0.000 0.210 250 D C 0.613 176.971 176.300 0.097 0.000 1.124 250 D CA 1.317 55.389 54.000 0.120 0.000 0.986 250 D CB -0.626 40.227 40.800 0.089 0.000 1.118 250 D HN 0.826 nan 8.370 nan 0.000 0.416 251 Q N 0.018 119.884 119.800 0.110 0.000 2.394 251 Q HA 0.147 4.488 4.340 0.001 0.000 0.248 251 Q C 0.063 176.129 176.000 0.111 0.000 0.992 251 Q CA -0.007 55.859 55.803 0.105 0.000 0.888 251 Q CB 0.734 29.552 28.738 0.133 0.000 1.257 251 Q HN -0.046 nan 8.270 nan 0.000 0.462 252 E N 2.871 123.130 120.200 0.099 0.000 2.167 252 E HA 0.288 4.639 4.350 0.001 0.000 0.284 252 E C -0.490 176.182 176.600 0.119 0.000 1.016 252 E CA -0.077 56.391 56.400 0.113 0.000 0.817 252 E CB 0.462 30.229 29.700 0.111 0.000 1.080 252 E HN 0.472 nan 8.360 nan 0.000 0.397 253 I N -0.669 119.963 120.570 0.103 0.000 3.239 253 I HA 0.640 4.810 4.170 0.001 0.000 0.314 253 I C -0.669 175.377 176.117 -0.119 0.000 1.126 253 I CA -1.223 60.099 61.300 0.036 0.000 0.973 253 I CB 2.328 40.358 38.000 0.049 0.000 1.252 253 I HN 0.195 nan 8.210 nan 0.000 0.463 254 K N 1.199 121.452 120.400 -0.245 0.000 2.527 254 K HA 0.700 5.020 4.320 0.001 0.000 0.260 254 K C -1.944 174.487 176.600 -0.282 0.000 0.937 254 K CA -0.894 55.101 56.287 -0.486 0.000 0.826 254 K CB 2.523 34.441 32.500 -0.969 0.000 1.359 254 K HN 0.448 nan 8.250 nan 0.000 0.434 255 V N 3.646 123.415 119.914 -0.242 0.000 2.370 255 V HA 0.356 4.477 4.120 0.001 0.000 0.279 255 V C -0.315 175.701 176.094 -0.130 0.000 1.029 255 V CA -0.681 61.523 62.300 -0.160 0.000 0.870 255 V CB 0.682 32.433 31.823 -0.120 0.000 0.984 255 V HN 0.582 nan 8.190 nan 0.000 0.451 256 L N 6.341 127.495 121.223 -0.115 0.000 2.334 256 L HA 0.457 4.798 4.340 0.001 0.000 0.273 256 L C -1.708 175.095 176.870 -0.111 0.000 1.013 256 L CA -1.834 52.952 54.840 -0.090 0.000 0.816 256 L CB 2.237 44.257 42.059 -0.065 0.000 1.278 256 L HN 0.338 nan 8.230 nan 0.000 0.431 257 P HA -0.063 nan 4.420 nan 0.000 0.221 257 P C 0.664 177.964 177.300 0.000 0.000 1.145 257 P CA 1.094 64.092 63.100 -0.169 0.000 0.795 257 P CB 0.288 31.689 31.700 -0.499 0.000 0.775 258 G N -1.283 107.533 108.800 0.028 0.000 2.384 258 G HA2 -0.122 3.839 3.960 0.001 0.000 0.200 258 G HA3 -0.122 3.839 3.960 0.001 0.000 0.200 258 G C -1.523 173.500 174.900 0.206 0.000 1.205 258 G CA -0.467 44.690 45.100 0.095 0.000 1.116 258 G HN 0.358 nan 8.290 nan 0.000 0.547 259 L N 1.203 122.521 121.223 0.158 0.000 2.305 259 L HA 0.773 5.113 4.340 0.001 0.000 0.281 259 L C 0.875 177.716 176.870 -0.048 0.000 1.085 259 L CA -0.357 54.534 54.840 0.086 0.000 0.813 259 L CB 1.105 43.193 42.059 0.048 0.000 1.157 259 L HN 0.799 nan 8.230 nan 0.000 0.436 260 R N 4.742 125.105 120.500 -0.227 0.000 2.265 260 R HA 0.593 4.934 4.340 0.001 0.000 0.314 260 R C -1.285 174.823 176.300 -0.320 0.000 1.053 260 R CA -0.464 55.223 56.100 -0.687 0.000 0.931 260 R CB 0.808 30.723 30.300 -0.641 0.000 1.024 260 R HN 0.659 nan 8.270 nan 0.000 0.457 261 V N 1.708 121.449 119.914 -0.288 0.000 2.407 261 V HA 0.380 4.501 4.120 0.001 0.000 0.291 261 V C 0.030 176.063 176.094 -0.102 0.000 1.018 261 V CA -0.566 61.656 62.300 -0.130 0.000 0.842 261 V CB 1.692 33.474 31.823 -0.069 0.000 0.996 261 V HN 0.958 nan 8.190 nan 0.000 0.426 262 E N 2.414 122.573 120.200 -0.067 0.000 2.476 262 E HA 0.104 4.454 4.350 0.001 0.000 0.191 262 E C 0.790 177.375 176.600 -0.025 0.000 1.064 262 E CA -0.222 56.155 56.400 -0.038 0.000 0.866 262 E CB 0.369 30.054 29.700 -0.024 0.000 0.952 262 E HN 0.739 nan 8.360 nan 0.000 0.492 263 K N 1.390 121.775 120.400 -0.026 0.000 2.518 263 K HA -0.146 4.174 4.320 0.001 0.000 0.276 263 K C 0.147 176.737 176.600 -0.016 0.000 0.974 263 K CA 0.620 56.897 56.287 -0.017 0.000 0.986 263 K CB 0.450 32.942 32.500 -0.014 0.000 0.901 263 K HN -0.024 nan 8.250 nan 0.000 0.497 264 Q N 0.269 120.061 119.800 -0.013 0.000 2.460 264 Q HA -0.251 4.090 4.340 0.001 0.000 0.248 264 Q C 0.781 176.771 176.000 -0.017 0.000 0.847 264 Q CA 1.492 57.286 55.803 -0.014 0.000 1.214 264 Q CB -2.288 26.440 28.738 -0.016 0.000 1.523 264 Q HN 1.164 nan 8.270 nan 0.000 0.602 265 G N -1.132 107.659 108.800 -0.015 0.000 2.900 265 G HA2 -0.377 3.584 3.960 0.001 0.000 0.223 265 G HA3 -0.377 3.584 3.960 0.001 0.000 0.223 265 G C 0.266 175.157 174.900 -0.016 0.000 1.293 265 G CA 0.659 45.751 45.100 -0.014 0.000 0.792 265 G HN 0.355 nan 8.290 nan 0.000 0.527 266 K N 0.713 121.098 120.400 -0.026 0.000 2.090 266 K HA 0.650 4.970 4.320 0.001 0.000 0.250 266 K C 0.413 176.999 176.600 -0.024 0.000 1.004 266 K CA 0.061 56.327 56.287 -0.035 0.000 0.919 266 K CB 1.922 34.382 32.500 -0.066 0.000 1.045 266 K HN 1.094 nan 8.250 nan 0.000 0.471 267 V N -1.470 118.440 119.914 -0.008 0.000 2.513 267 V HA 0.835 4.956 4.120 0.001 0.000 0.299 267 V C -0.486 175.667 176.094 0.097 0.000 1.035 267 V CA -0.482 61.835 62.300 0.027 0.000 0.889 267 V CB 1.360 33.229 31.823 0.077 0.000 0.988 267 V HN 0.844 nan 8.190 nan 0.000 0.440 268 S N 3.419 119.171 115.700 0.086 0.000 2.685 268 S HA 0.823 5.293 4.470 0.001 0.000 0.282 268 S C -1.501 173.172 174.600 0.121 0.000 1.159 268 S CA -0.786 57.585 58.200 0.284 0.000 0.833 268 S CB 1.712 65.004 63.200 0.153 0.000 1.151 268 S HN 0.768 nan 8.310 nan 0.000 0.485 269 Y N 0.401 120.871 120.300 0.283 0.000 2.350 269 Y HA 0.529 5.080 4.550 0.001 0.000 0.338 269 Y C -0.325 175.645 175.900 0.115 0.000 0.961 269 Y CA -0.614 57.573 58.100 0.146 0.000 1.100 269 Y CB 1.732 40.228 38.460 0.060 0.000 1.179 269 Y HN 0.567 nan 8.280 nan 0.000 0.454 270 E N 5.560 125.864 120.200 0.174 0.000 2.109 270 E HA 0.290 4.641 4.350 0.001 0.000 0.278 270 E C -2.661 174.035 176.600 0.160 0.000 0.954 270 E CA -2.724 53.770 56.400 0.157 0.000 0.779 270 E CB 0.984 30.750 29.700 0.111 0.000 1.093 270 E HN 0.293 nan 8.360 nan 0.000 0.401 271 P HA 0.091 nan 4.420 nan 0.000 0.267 271 P C -0.043 177.304 177.300 0.079 0.000 1.200 271 P CA 0.082 63.220 63.100 0.062 0.000 0.772 271 P CB 0.824 32.520 31.700 -0.007 0.000 0.855 272 I N 2.540 123.092 120.570 -0.030 0.000 2.336 272 I HA 0.284 4.454 4.170 0.001 0.000 0.292 272 I C 0.351 176.412 176.117 -0.093 0.000 0.991 272 I CA -0.600 60.718 61.300 0.029 0.000 1.227 272 I CB 0.298 38.304 38.000 0.011 0.000 1.366 272 I HN 0.146 nan 8.210 nan 0.000 0.466 273 F N 3.892 123.856 119.950 0.024 0.000 2.425 273 F HA 0.705 5.232 4.527 0.000 0.000 0.331 273 F C 0.607 176.423 175.800 0.028 0.000 1.085 273 F CA -0.230 57.785 58.000 0.024 0.000 1.028 273 F CB 2.008 41.021 39.000 0.021 0.000 1.177 273 F HN 0.400 nan 8.300 nan 0.000 0.487 274 T N 1.336 116.008 114.554 0.195 0.000 2.654 274 T HA 0.322 4.672 4.350 0.001 0.000 0.303 274 T C -1.996 172.791 174.700 0.145 0.000 1.656 274 T CA -0.871 61.323 62.100 0.157 0.000 0.971 274 T CB 1.411 70.355 68.868 0.128 0.000 1.811 274 T HN 0.645 nan 8.240 nan 0.000 0.483 275 K N 1.195 121.710 120.400 0.193 0.000 2.426 275 K HA 0.699 5.019 4.320 0.001 0.000 0.251 275 K C -0.808 175.953 176.600 0.268 0.000 0.941 275 K CA -0.860 55.543 56.287 0.194 0.000 0.808 275 K CB 1.358 33.914 32.500 0.093 0.000 1.265 275 K HN 0.567 nan 8.250 nan 0.000 0.432 276 I N 3.434 124.111 120.570 0.178 0.000 2.452 276 I HA -0.046 4.124 4.170 0.001 0.000 0.287 276 I C 1.267 177.476 176.117 0.154 0.000 1.079 276 I CA 0.160 61.529 61.300 0.115 0.000 1.387 276 I CB 1.291 39.344 38.000 0.088 0.000 1.404 276 I HN 0.785 nan 8.210 nan 0.000 0.522 277 S N 3.241 118.960 115.700 0.031 0.000 2.475 277 S HA 0.133 4.603 4.470 0.001 0.000 0.224 277 S C 0.572 175.160 174.600 -0.019 0.000 1.042 277 S CA 0.191 58.370 58.200 -0.035 0.000 0.935 277 S CB 0.237 63.181 63.200 -0.426 0.000 0.801 277 S HN 0.701 nan 8.310 nan 0.000 0.509 278 S N 0.013 115.695 115.700 -0.030 0.000 2.550 278 S HA 0.740 5.210 4.470 0.001 0.000 0.270 278 S C -1.323 173.277 174.600 0.001 0.000 1.145 278 S CA -1.016 57.183 58.200 -0.001 0.000 0.852 278 S CB 1.147 64.335 63.200 -0.019 0.000 1.119 278 S HN 0.317 nan 8.310 nan 0.000 0.465 279 I N 1.383 121.982 120.570 0.048 0.000 2.466 279 I HA 0.579 4.750 4.170 0.001 0.000 0.289 279 I C -0.255 175.927 176.117 0.108 0.000 1.026 279 I CA -0.507 60.817 61.300 0.039 0.000 1.078 279 I CB 2.095 40.162 38.000 0.112 0.000 1.249 279 I HN 0.672 nan 8.210 nan 0.000 0.429 280 R N 5.208 125.707 120.500 -0.001 0.000 2.621 280 R HA 0.506 4.846 4.340 0.001 0.000 0.284 280 R C -1.668 174.598 176.300 -0.058 0.000 0.998 280 R CA -0.529 55.634 56.100 0.104 0.000 0.895 280 R CB 1.721 32.064 30.300 0.071 0.000 1.195 280 R HN 0.464 nan 8.270 nan 0.000 0.450 281 F N 3.635 123.692 119.950 0.178 0.000 2.664 281 F HA 0.355 4.882 4.527 0.001 0.000 0.322 281 F C 0.960 176.871 175.800 0.185 0.000 1.324 281 F CA 0.733 58.797 58.000 0.106 0.000 1.154 281 F CB 1.485 40.460 39.000 -0.043 0.000 1.236 281 F HN 0.972 nan 8.300 nan 0.000 0.532 282 G N 1.300 110.249 108.800 0.249 0.000 2.952 282 G HA2 -0.275 3.686 3.960 0.001 0.000 0.226 282 G HA3 -0.275 3.686 3.960 0.001 0.000 0.226 282 G C 0.709 175.715 174.900 0.177 0.000 1.462 282 G CA 0.164 45.401 45.100 0.227 0.000 1.157 282 G HN 0.336 nan 8.290 nan 0.000 0.544 283 D N 1.803 122.309 120.400 0.178 0.000 2.388 283 D HA 0.092 4.733 4.640 0.001 0.000 0.208 283 D C 0.770 177.151 176.300 0.135 0.000 1.035 283 D CA 0.935 55.010 54.000 0.125 0.000 0.875 283 D CB -0.193 40.666 40.800 0.098 0.000 0.984 283 D HN 0.788 nan 8.370 nan 0.000 0.508 284 E N 1.416 121.742 120.200 0.211 0.000 2.290 284 E HA 0.249 4.599 4.350 0.001 0.000 0.277 284 E C -0.448 176.336 176.600 0.308 0.000 1.035 284 E CA -0.338 56.185 56.400 0.204 0.000 0.873 284 E CB 1.104 31.012 29.700 0.347 0.000 1.029 284 E HN 0.176 nan 8.360 nan 0.000 0.419 285 E N 3.579 123.830 120.200 0.084 0.000 2.158 285 E HA 0.325 4.675 4.350 0.001 0.000 0.271 285 E C -1.421 175.201 176.600 0.037 0.000 0.911 285 E CA -0.632 55.873 56.400 0.175 0.000 0.767 285 E CB 0.686 30.433 29.700 0.078 0.000 1.120 285 E HN 0.377 nan 8.360 nan 0.000 0.405 286 F N 2.233 122.267 119.950 0.141 0.000 2.572 286 F HA 0.429 4.956 4.527 0.000 0.000 0.342 286 F C 1.259 177.120 175.800 0.100 0.000 1.064 286 F CA -0.857 57.219 58.000 0.125 0.000 1.008 286 F CB 1.161 40.269 39.000 0.180 0.000 1.303 286 F HN 0.446 nan 8.300 nan 0.000 0.492 287 K N -0.389 120.182 120.400 0.284 0.000 2.284 287 K HA 0.081 4.402 4.320 0.001 0.000 0.198 287 K C -0.378 176.335 176.600 0.189 0.000 1.048 287 K CA 0.578 56.972 56.287 0.178 0.000 0.987 287 K CB 0.373 32.945 32.500 0.119 0.000 0.800 287 K HN 0.705 nan 8.250 nan 0.000 0.486 288 E N -0.297 120.045 120.200 0.237 0.000 2.390 288 E HA 0.620 4.970 4.350 0.001 0.000 0.277 288 E C -1.700 175.032 176.600 0.221 0.000 0.939 288 E CA -1.229 55.289 56.400 0.196 0.000 0.769 288 E CB 1.968 31.749 29.700 0.135 0.000 1.251 288 E HN -0.043 nan 8.360 nan 0.000 0.450 289 A N 1.867 124.820 122.820 0.223 0.000 2.355 289 A HA 0.689 5.009 4.320 0.001 0.000 0.317 289 A C -0.992 176.718 177.584 0.209 0.000 1.094 289 A CA -0.777 51.426 52.037 0.277 0.000 0.764 289 A CB 1.202 20.345 19.000 0.239 0.000 1.230 289 A HN 0.504 nan 8.150 nan 0.000 0.448 290 K N 1.436 121.924 120.400 0.146 0.000 2.312 290 K HA 0.704 5.024 4.320 0.001 0.000 0.236 290 K C -2.897 173.755 176.600 0.087 0.000 1.079 290 K CA -1.926 54.403 56.287 0.070 0.000 0.900 290 K CB 0.441 32.930 32.500 -0.019 0.000 1.297 290 K HN 0.360 nan 8.250 nan 0.000 0.498 291 P HA 0.272 nan 4.420 nan 0.000 0.272 291 P C -0.836 176.473 177.300 0.016 0.000 1.240 291 P CA 0.153 63.265 63.100 0.019 0.000 0.791 291 P CB 0.591 32.279 31.700 -0.021 0.000 0.978 292 G N -0.298 108.521 108.800 0.032 0.000 2.788 292 G HA2 0.434 4.395 3.960 0.001 0.000 0.686 292 G HA3 0.434 4.395 3.960 0.001 0.000 0.686 292 G C -0.020 174.970 174.900 0.150 0.000 1.147 292 G CA -0.127 44.994 45.100 0.035 0.000 0.755 292 G HN 0.891 nan 8.290 nan 0.000 0.634 293 G N -0.442 108.466 108.800 0.180 0.000 2.894 293 G HA2 0.163 4.123 3.960 0.001 0.000 0.247 293 G HA3 0.163 4.123 3.960 0.001 0.000 0.247 293 G C 0.028 175.049 174.900 0.202 0.000 1.442 293 G CA 0.025 45.337 45.100 0.354 0.000 0.897 293 G HN 1.674 nan 8.290 nan 0.000 0.550 294 L N -0.111 121.122 121.223 0.017 0.000 2.296 294 L HA 0.557 4.898 4.340 0.001 0.000 0.286 294 L C 0.575 177.170 176.870 -0.459 0.000 1.023 294 L CA -1.174 53.475 54.840 -0.319 0.000 0.812 294 L CB 1.609 43.267 42.059 -0.668 0.000 1.223 294 L HN 0.496 nan 8.230 nan 0.000 0.421 295 V N 1.538 121.116 119.914 -0.561 0.000 2.617 295 V HA 0.716 4.836 4.120 0.001 0.000 0.298 295 V C 0.320 176.134 176.094 -0.467 0.000 1.048 295 V CA -0.677 61.149 62.300 -0.789 0.000 0.964 295 V CB 1.556 32.952 31.823 -0.712 0.000 1.004 295 V HN 0.846 nan 8.190 nan 0.000 0.466 296 A N 4.860 127.446 122.820 -0.391 0.000 2.291 296 A HA 0.788 5.108 4.320 0.001 0.000 0.311 296 A C -0.763 176.703 177.584 -0.198 0.000 1.224 296 A CA -0.458 51.450 52.037 -0.215 0.000 0.821 296 A CB 0.429 19.375 19.000 -0.090 0.000 1.172 296 A HN 0.601 nan 8.150 nan 0.000 0.494 297 I N 2.851 123.298 120.570 -0.204 0.000 2.339 297 I HA 0.356 4.526 4.170 0.001 0.000 0.290 297 I C 0.933 176.971 176.117 -0.131 0.000 0.994 297 I CA -0.202 60.992 61.300 -0.176 0.000 1.191 297 I CB 0.952 38.814 38.000 -0.230 0.000 1.343 297 I HN 0.695 nan 8.210 nan 0.000 0.458 298 G N 4.600 113.338 108.800 -0.103 0.000 2.370 298 G HA2 0.523 4.483 3.960 0.001 0.000 0.272 298 G HA3 0.523 4.483 3.960 0.001 0.000 0.272 298 G C 0.172 174.989 174.900 -0.137 0.000 1.208 298 G CA -0.055 44.975 45.100 -0.117 0.000 0.856 298 G HN 0.706 nan 8.290 nan 0.000 0.500 299 T N -0.911 113.552 114.554 -0.151 0.000 2.773 299 T HA 0.445 4.795 4.350 0.001 0.000 0.278 299 T C -0.085 174.501 174.700 -0.191 0.000 1.011 299 T CA -0.739 61.305 62.100 -0.093 0.000 1.014 299 T CB 1.344 70.194 68.868 -0.031 0.000 1.293 299 T HN 0.328 nan 8.240 nan 0.000 0.554 300 Y N -0.063 120.230 120.300 -0.012 0.000 2.658 300 Y HA 0.477 5.027 4.550 0.000 0.000 0.276 300 Y C 0.373 176.269 175.900 -0.007 0.000 1.167 300 Y CA -0.692 57.403 58.100 -0.008 0.000 1.230 300 Y CB 0.036 38.499 38.460 0.005 0.000 1.144 300 Y HN 0.250 nan 8.280 nan 0.000 0.529 301 L N 0.623 121.892 121.223 0.078 0.000 2.417 301 L HA 0.096 4.436 4.340 0.001 0.000 0.268 301 L C 0.526 177.410 176.870 0.023 0.000 1.158 301 L CA -0.435 54.436 54.840 0.050 0.000 0.819 301 L CB 0.470 42.540 42.059 0.018 0.000 1.112 301 L HN 0.139 nan 8.230 nan 0.000 0.458 302 D N 4.669 125.088 120.400 0.032 0.000 2.434 302 D HA -0.007 4.634 4.640 0.001 0.000 0.252 302 D C -1.441 174.865 176.300 0.011 0.000 1.185 302 D CA -1.466 52.548 54.000 0.023 0.000 0.886 302 D CB 1.329 42.153 40.800 0.040 0.000 1.148 302 D HN 0.264 nan 8.370 nan 0.000 0.483 303 P HA -0.155 nan 4.420 nan 0.000 0.220 303 P C 1.248 178.558 177.300 0.016 0.000 1.144 303 P CA 0.679 63.781 63.100 0.004 0.000 0.800 303 P CB 0.285 31.983 31.700 -0.002 0.000 0.772 304 S N -0.164 115.550 115.700 0.022 0.000 2.383 304 S HA -0.119 4.352 4.470 0.001 0.000 0.229 304 S C 1.832 176.442 174.600 0.017 0.000 1.030 304 S CA 1.034 59.249 58.200 0.026 0.000 1.002 304 S CB -0.779 62.441 63.200 0.032 0.000 0.829 304 S HN 0.078 nan 8.310 nan 0.000 0.467 305 L N 1.417 122.647 121.223 0.012 0.000 2.141 305 L HA -0.035 4.306 4.340 0.001 0.000 0.209 305 L C 2.612 179.472 176.870 -0.017 0.000 1.094 305 L CA 1.810 56.651 54.840 0.002 0.000 0.763 305 L CB -1.443 40.619 42.059 0.005 0.000 0.908 305 L HN 0.531 nan 8.230 nan 0.000 0.437 306 T N -4.350 110.191 114.554 -0.022 0.000 3.023 306 T HA 0.042 4.393 4.350 0.001 0.000 0.249 306 T C 1.004 175.695 174.700 -0.015 0.000 1.050 306 T CA -0.310 61.758 62.100 -0.053 0.000 1.088 306 T CB -0.084 68.734 68.868 -0.082 0.000 0.946 306 T HN 0.011 nan 8.240 nan 0.000 0.480 307 K N 2.959 123.373 120.400 0.024 0.000 2.510 307 K HA 0.149 4.469 4.320 0.001 0.000 0.272 307 K C 0.564 177.196 176.600 0.053 0.000 1.025 307 K CA 0.914 57.234 56.287 0.055 0.000 1.134 307 K CB -1.029 31.494 32.500 0.039 0.000 0.827 307 K HN 0.771 nan 8.250 nan 0.000 0.485 308 A N 5.011 127.889 122.820 0.096 0.000 2.251 308 A HA -0.173 4.147 4.320 0.001 0.000 0.283 308 A C 0.101 177.709 177.584 0.040 0.000 1.415 308 A CA 1.013 53.099 52.037 0.082 0.000 0.742 308 A CB -2.002 17.028 19.000 0.051 0.000 1.151 308 A HN 1.005 nan 8.150 nan 0.000 0.354 309 D N -1.061 119.349 120.400 0.017 0.000 2.737 309 D HA -0.242 4.398 4.640 0.001 0.000 0.233 309 D C 0.898 177.167 176.300 -0.051 0.000 1.155 309 D CA 1.444 55.414 54.000 -0.050 0.000 0.667 309 D CB -1.535 39.252 40.800 -0.022 0.000 1.060 309 D HN 0.942 nan 8.370 nan 0.000 0.427 310 N N -0.244 118.429 118.700 -0.045 0.000 2.166 310 N HA -0.128 4.613 4.740 0.001 0.000 0.186 310 N C 1.436 176.919 175.510 -0.045 0.000 1.019 310 N CA 0.607 53.638 53.050 -0.031 0.000 0.856 310 N CB 0.040 38.516 38.487 -0.018 0.000 0.993 310 N HN 0.325 nan 8.380 nan 0.000 0.426 311 L N 1.648 122.823 121.223 -0.080 0.000 2.629 311 L HA 0.183 4.523 4.340 0.001 0.000 0.230 311 L C 0.169 176.971 176.870 -0.113 0.000 1.151 311 L CA -0.567 54.218 54.840 -0.091 0.000 0.924 311 L CB -0.059 41.932 42.059 -0.113 0.000 1.137 311 L HN 0.216 nan 8.230 nan 0.000 0.457 312 L N 1.305 122.464 121.223 -0.107 0.000 2.540 312 L HA 0.259 4.600 4.340 0.001 0.000 0.276 312 L C 1.165 177.974 176.870 -0.102 0.000 1.212 312 L CA 1.402 56.176 54.840 -0.110 0.000 0.893 312 L CB 0.374 42.381 42.059 -0.087 0.000 1.138 312 L HN 0.346 nan 8.230 nan 0.000 0.491 313 G N 2.145 110.878 108.800 -0.111 0.000 2.194 313 G HA2 -0.256 3.704 3.960 0.001 0.000 0.236 313 G HA3 -0.256 3.704 3.960 0.001 0.000 0.236 313 G C 0.508 175.340 174.900 -0.113 0.000 0.987 313 G CA 0.233 45.271 45.100 -0.103 0.000 0.635 313 G HN 0.884 nan 8.290 nan 0.000 0.520 314 S N -0.038 115.586 115.700 -0.127 0.000 2.661 314 S HA 0.775 5.246 4.470 0.001 0.000 0.265 314 S C 0.370 174.881 174.600 -0.150 0.000 1.225 314 S CA 0.393 58.514 58.200 -0.132 0.000 0.986 314 S CB 1.024 64.147 63.200 -0.129 0.000 1.008 314 S HN 1.298 nan 8.310 nan 0.000 0.565 315 I N -1.747 118.733 120.570 -0.150 0.000 2.828 315 I HA 0.636 4.806 4.170 0.001 0.000 0.302 315 I C -1.398 174.610 176.117 -0.181 0.000 1.101 315 I CA -0.933 60.249 61.300 -0.196 0.000 1.031 315 I CB 1.465 39.347 38.000 -0.197 0.000 1.231 315 I HN 0.316 nan 8.210 nan 0.000 0.427 316 I N 3.750 124.193 120.570 -0.212 0.000 2.433 316 I HA 0.560 4.730 4.170 0.001 0.000 0.292 316 I C 0.086 176.192 176.117 -0.018 0.000 1.001 316 I CA -0.118 61.074 61.300 -0.179 0.000 1.119 316 I CB 1.747 39.543 38.000 -0.340 0.000 1.289 316 I HN 0.961 nan 8.210 nan 0.000 0.438 317 T N 3.509 118.092 114.554 0.047 0.000 2.838 317 T HA 0.663 5.013 4.350 0.001 0.000 0.292 317 T C -0.217 174.568 174.700 0.140 0.000 1.113 317 T CA -0.891 61.293 62.100 0.141 0.000 1.008 317 T CB 1.426 70.315 68.868 0.036 0.000 1.259 317 T HN 0.294 nan 8.240 nan 0.000 0.520 318 L N 1.554 122.825 121.223 0.080 0.000 2.461 318 L HA 0.403 4.744 4.340 0.001 0.000 0.272 318 L C 2.231 179.121 176.870 0.034 0.000 1.197 318 L CA -0.281 54.593 54.840 0.056 0.000 0.836 318 L CB 0.213 42.263 42.059 -0.015 0.000 1.105 318 L HN 1.060 nan 8.230 nan 0.000 0.477 319 A N 2.204 125.060 122.820 0.060 0.000 1.903 319 A HA -0.240 4.080 4.320 0.001 0.000 0.219 319 A C 1.646 179.323 177.584 0.154 0.000 1.191 319 A CA 2.139 54.239 52.037 0.106 0.000 0.638 319 A CB -0.646 18.532 19.000 0.297 0.000 0.823 319 A HN 0.946 nan 8.150 nan 0.000 0.451 320 D N 0.210 120.683 120.400 0.122 0.000 2.363 320 D HA 0.266 4.906 4.640 0.001 0.000 0.226 320 D C 0.800 177.139 176.300 0.065 0.000 1.020 320 D CA 0.595 54.654 54.000 0.099 0.000 0.892 320 D CB -0.522 40.319 40.800 0.069 0.000 0.900 320 D HN 0.461 nan 8.370 nan 0.000 0.531 321 A N 0.982 123.830 122.820 0.046 0.000 2.507 321 A HA 0.058 4.378 4.320 0.001 0.000 0.235 321 A C 0.223 177.835 177.584 0.047 0.000 1.070 321 A CA -0.063 51.994 52.037 0.034 0.000 0.768 321 A CB 0.204 19.218 19.000 0.023 0.000 1.011 321 A HN 0.112 nan 8.150 nan 0.000 0.502 322 E N 1.093 121.321 120.200 0.046 0.000 2.261 322 E HA 0.469 4.819 4.350 0.001 0.000 0.239 322 E C -1.300 175.333 176.600 0.056 0.000 0.991 322 E CA -0.068 56.361 56.400 0.050 0.000 0.847 322 E CB 0.444 30.169 29.700 0.042 0.000 1.223 322 E HN 0.350 nan 8.360 nan 0.000 0.446 323 V N 4.625 124.574 119.914 0.060 0.000 2.495 323 V HA 0.489 4.609 4.120 0.001 0.000 0.298 323 V C -2.155 173.971 176.094 0.054 0.000 1.031 323 V CA -2.063 60.280 62.300 0.071 0.000 0.871 323 V CB 1.652 33.531 31.823 0.094 0.000 0.988 323 V HN 0.537 nan 8.190 nan 0.000 0.432 324 P HA 0.354 nan 4.420 nan 0.000 0.282 324 P C -0.856 176.451 177.300 0.013 0.000 1.262 324 P CA -0.245 62.873 63.100 0.030 0.000 0.773 324 P CB 0.983 32.691 31.700 0.014 0.000 0.879 325 V N 5.285 125.209 119.914 0.016 0.000 2.328 325 V HA 0.255 4.375 4.120 0.001 0.000 0.278 325 V C -0.030 176.053 176.094 -0.018 0.000 1.021 325 V CA -0.429 61.847 62.300 -0.040 0.000 0.838 325 V CB 0.751 32.551 31.823 -0.038 0.000 0.999 325 V HN 0.342 nan 8.190 nan 0.000 0.447 326 L N 3.920 125.100 121.223 -0.071 0.000 2.330 326 L HA 0.554 4.894 4.340 0.001 0.000 0.271 326 L C 0.043 176.879 176.870 -0.057 0.000 1.013 326 L CA -0.073 54.776 54.840 0.015 0.000 0.816 326 L CB 1.619 43.686 42.059 0.013 0.000 1.287 326 L HN 0.655 nan 8.230 nan 0.000 0.435 327 W N -0.009 121.279 121.300 -0.020 0.000 2.998 327 W HA 0.297 4.956 4.660 -0.000 0.000 0.336 327 W C -0.142 176.367 176.519 -0.018 0.000 1.112 327 W CA -0.112 57.222 57.345 -0.018 0.000 1.682 327 W CB 0.353 29.815 29.460 0.004 0.000 1.065 327 W HN 0.441 nan 8.180 nan 0.000 0.570 328 N N 0.822 119.632 118.700 0.183 0.000 2.336 328 N HA 0.558 5.298 4.740 0.001 0.000 0.290 328 N C -1.106 174.433 175.510 0.048 0.000 1.058 328 N CA -0.629 52.481 53.050 0.100 0.000 0.865 328 N CB 2.362 40.902 38.487 0.089 0.000 1.581 328 N HN -0.103 nan 8.380 nan 0.000 0.480 329 I N -2.461 118.120 120.570 0.019 0.000 2.894 329 I HA 0.621 4.792 4.170 0.001 0.000 0.302 329 I C -0.965 175.148 176.117 -0.007 0.000 1.188 329 I CA -1.064 60.233 61.300 -0.005 0.000 1.014 329 I CB 2.555 40.537 38.000 -0.030 0.000 1.242 329 I HN 0.276 nan 8.210 nan 0.000 0.430 330 R N 4.745 125.238 120.500 -0.011 0.000 2.294 330 R HA 0.758 5.099 4.340 0.001 0.000 0.319 330 R C -1.509 174.786 176.300 -0.008 0.000 0.984 330 R CA -0.492 55.606 56.100 -0.004 0.000 0.861 330 R CB 1.208 31.506 30.300 -0.003 0.000 1.104 330 R HN 0.750 nan 8.270 nan 0.000 0.451 331 I N 3.739 124.316 120.570 0.012 0.000 2.465 331 I HA 0.268 4.439 4.170 0.001 0.000 0.291 331 I C -0.301 175.853 176.117 0.061 0.000 1.014 331 I CA -0.821 60.491 61.300 0.020 0.000 1.093 331 I CB 2.092 40.105 38.000 0.021 0.000 1.267 331 I HN 0.445 nan 8.210 nan 0.000 0.431 332 K N 7.427 127.815 120.400 -0.019 0.000 2.231 332 K HA 0.268 4.589 4.320 0.001 0.000 0.275 332 K C -0.760 175.708 176.600 -0.219 0.000 1.105 332 K CA -0.443 55.778 56.287 -0.111 0.000 0.931 332 K CB 0.297 32.713 32.500 -0.139 0.000 1.296 332 K HN 0.524 nan 8.250 nan 0.000 0.446 333 Y N 0.921 121.062 120.300 -0.265 0.000 2.436 333 Y HA 0.531 5.081 4.550 0.001 0.000 0.336 333 Y C -0.367 175.240 175.900 -0.489 0.000 1.318 333 Y CA -1.070 56.802 58.100 -0.381 0.000 1.493 333 Y CB 0.878 39.197 38.460 -0.236 0.000 1.547 333 Y HN 0.274 nan 8.280 nan 0.000 0.549 334 N N 0.989 119.409 118.700 -0.467 0.000 2.752 334 N HA 0.231 4.971 4.740 0.001 0.000 0.268 334 N C -1.900 173.528 175.510 -0.137 0.000 1.190 334 N CA -0.356 52.428 53.050 -0.443 0.000 0.897 334 N CB 1.895 39.927 38.487 -0.758 0.000 1.515 334 N HN 0.535 nan 8.380 nan 0.000 0.567 335 L N 1.195 122.453 121.223 0.058 0.000 2.472 335 L HA 0.577 4.917 4.340 0.001 0.000 0.256 335 L C 0.318 177.251 176.870 0.104 0.000 1.111 335 L CA -0.376 54.527 54.840 0.104 0.000 0.800 335 L CB 0.578 42.710 42.059 0.123 0.000 1.286 335 L HN 0.322 nan 8.230 nan 0.000 0.479 336 L N -0.132 121.157 121.223 0.110 0.000 2.352 336 L HA 0.335 4.676 4.340 0.001 0.000 0.269 336 L C 0.578 177.498 176.870 0.082 0.000 1.034 336 L CA -0.614 54.293 54.840 0.111 0.000 0.806 336 L CB 1.357 43.489 42.059 0.122 0.000 1.244 336 L HN 0.561 nan 8.230 nan 0.000 0.447 337 E N 0.583 120.828 120.200 0.075 0.000 2.190 337 E HA 0.038 4.389 4.350 0.001 0.000 0.191 337 E C -0.197 176.432 176.600 0.049 0.000 0.978 337 E CA 0.484 56.917 56.400 0.056 0.000 0.839 337 E CB 0.187 29.917 29.700 0.050 0.000 0.787 337 E HN 0.366 nan 8.360 nan 0.000 0.473 338 R N -0.731 119.804 120.500 0.057 0.000 2.712 338 R HA 0.583 4.923 4.340 0.001 0.000 0.272 338 R C -1.262 175.076 176.300 0.062 0.000 1.032 338 R CA -0.785 55.344 56.100 0.050 0.000 0.874 338 R CB 0.658 30.982 30.300 0.038 0.000 1.256 338 R HN -0.032 nan 8.270 nan 0.000 0.468 339 V N -1.938 118.009 119.914 0.054 0.000 3.049 339 V HA 0.527 4.648 4.120 0.001 0.000 0.309 339 V C -0.169 175.954 176.094 0.048 0.000 1.148 339 V CA -1.116 61.221 62.300 0.062 0.000 0.990 339 V CB 2.139 34.000 31.823 0.064 0.000 1.039 339 V HN 0.516 nan 8.190 nan 0.000 0.430 340 V N 2.987 122.933 119.914 0.053 0.000 2.393 340 V HA 0.487 4.607 4.120 0.001 0.000 0.257 340 V C 1.163 177.273 176.094 0.027 0.000 1.040 340 V CA 1.242 63.566 62.300 0.039 0.000 1.097 340 V CB -0.246 31.603 31.823 0.043 0.000 1.101 340 V HN 1.227 nan 8.190 nan 0.000 0.479 341 G N 3.428 112.240 108.800 0.019 0.000 2.938 341 G HA2 0.690 4.650 3.960 0.001 0.000 0.308 341 G HA3 0.690 4.650 3.960 0.001 0.000 0.308 341 G C 0.187 175.089 174.900 0.004 0.000 1.422 341 G CA 0.530 45.636 45.100 0.010 0.000 1.071 341 G HN 1.310 nan 8.290 nan 0.000 0.530 342 A N 1.850 124.673 122.820 0.004 0.000 5.570 342 A HA -0.212 4.109 4.320 0.001 0.000 0.277 342 A C 1.059 178.645 177.584 0.005 0.000 2.110 342 A CA 1.259 53.298 52.037 0.003 0.000 0.715 342 A CB -0.986 18.013 19.000 -0.002 0.000 1.145 342 A HN 1.246 nan 8.150 nan 0.000 0.356 343 K N 0.643 121.044 120.400 0.003 0.000 2.765 343 K HA 0.357 4.677 4.320 0.001 0.000 0.246 343 K C 0.167 176.769 176.600 0.002 0.000 1.254 343 K CA 0.543 56.832 56.287 0.003 0.000 1.219 343 K CB -0.210 32.291 32.500 0.002 0.000 1.747 343 K HN 0.508 nan 8.250 nan 0.000 0.372 344 E N 0.484 120.686 120.200 0.004 0.000 2.756 344 E HA -0.047 4.304 4.350 0.001 0.000 0.218 344 E C 0.241 176.846 176.600 0.007 0.000 1.042 344 E CA 0.125 56.527 56.400 0.004 0.000 1.713 344 E CB 0.031 29.732 29.700 0.001 0.000 2.443 344 E HN 0.398 nan 8.360 nan 0.000 1.080 345 M N 1.857 121.463 119.600 0.011 0.000 2.576 345 M HA -0.185 4.295 4.480 0.001 0.000 0.200 345 M C -0.298 176.013 176.300 0.017 0.000 0.487 345 M CA 0.233 55.543 55.300 0.017 0.000 0.553 345 M CB -1.810 30.799 32.600 0.014 0.000 2.042 345 M HN 0.201 nan 8.290 nan 0.000 0.758 346 L N -0.816 120.415 121.223 0.013 0.000 2.503 346 L HA 0.160 4.500 4.340 0.001 0.000 0.287 346 L C 0.426 177.307 176.870 0.018 0.000 1.252 346 L CA -0.002 54.846 54.840 0.012 0.000 0.835 346 L CB 0.192 42.254 42.059 0.005 0.000 1.099 346 L HN 0.351 nan 8.230 nan 0.000 0.516 347 K N 1.603 122.013 120.400 0.016 0.000 2.118 347 K HA 0.472 4.793 4.320 0.001 0.000 0.267 347 K C -0.803 175.810 176.600 0.021 0.000 0.991 347 K CA -0.916 55.384 56.287 0.022 0.000 0.916 347 K CB 2.083 34.595 32.500 0.019 0.000 1.041 347 K HN 0.469 nan 8.250 nan 0.000 0.455 348 V N 3.678 123.610 119.914 0.030 0.000 2.439 348 V HA -0.021 4.100 4.120 0.001 0.000 0.271 348 V C 0.214 176.322 176.094 0.022 0.000 1.040 348 V CA -0.257 62.060 62.300 0.029 0.000 1.002 348 V CB 0.363 32.212 31.823 0.045 0.000 1.000 348 V HN 0.659 nan 8.190 nan 0.000 0.477 349 D N 7.096 127.503 120.400 0.011 0.000 2.362 349 D HA 0.224 4.864 4.640 0.001 0.000 0.242 349 D C -1.925 174.378 176.300 0.005 0.000 1.132 349 D CA -0.749 53.254 54.000 0.006 0.000 0.907 349 D CB 0.955 41.753 40.800 -0.004 0.000 1.195 349 D HN 0.360 nan 8.370 nan 0.000 0.429 350 P HA 0.154 nan 4.420 nan 0.000 0.272 350 P C 0.231 177.513 177.300 -0.031 0.000 1.230 350 P CA -0.355 62.746 63.100 0.002 0.000 0.788 350 P CB 0.925 32.636 31.700 0.019 0.000 0.949 351 I N 1.087 121.610 120.570 -0.079 0.000 2.752 351 I HA 0.041 4.211 4.170 0.001 0.000 0.287 351 I C 1.494 177.566 176.117 -0.075 0.000 1.188 351 I CA 0.438 61.669 61.300 -0.115 0.000 1.427 351 I CB 0.021 37.870 38.000 -0.251 0.000 1.365 351 I HN 0.339 nan 8.210 nan 0.000 0.585 352 R N 5.076 125.543 120.500 -0.055 0.000 2.832 352 R HA 0.734 5.075 4.340 0.001 0.000 0.271 352 R C -0.829 175.452 176.300 -0.032 0.000 0.996 352 R CA -0.726 55.353 56.100 -0.035 0.000 0.977 352 R CB 1.716 32.003 30.300 -0.023 0.000 1.168 352 R HN 0.704 nan 8.270 nan 0.000 0.482 353 A N 2.282 125.089 122.820 -0.022 0.000 2.371 353 A HA 0.265 4.585 4.320 0.001 0.000 0.257 353 A C 0.038 177.617 177.584 -0.007 0.000 1.089 353 A CA -0.137 51.891 52.037 -0.016 0.000 0.794 353 A CB 0.338 19.332 19.000 -0.010 0.000 1.029 353 A HN 0.927 nan 8.150 nan 0.000 0.488 354 K N -0.833 119.566 120.400 -0.002 0.000 3.584 354 K HA -0.180 4.140 4.320 0.001 0.000 0.300 354 K C 0.237 176.844 176.600 0.013 0.000 1.285 354 K CA 1.756 58.047 56.287 0.007 0.000 1.008 354 K CB -1.753 30.750 32.500 0.006 0.000 1.271 354 K HN 0.987 nan 8.250 nan 0.000 0.447 355 E N 1.627 121.830 120.200 0.006 0.000 2.384 355 E HA 0.098 4.448 4.350 0.001 0.000 0.266 355 E C -0.728 175.896 176.600 0.040 0.000 1.012 355 E CA 0.320 56.729 56.400 0.014 0.000 0.901 355 E CB 0.593 30.292 29.700 -0.002 0.000 0.967 355 E HN 0.056 nan 8.360 nan 0.000 0.435 356 T N 5.215 119.814 114.554 0.075 0.000 2.767 356 T HA 0.396 4.747 4.350 0.001 0.000 0.288 356 T C -0.162 174.675 174.700 0.229 0.000 0.963 356 T CA -0.396 61.784 62.100 0.133 0.000 1.019 356 T CB 0.327 69.295 68.868 0.166 0.000 0.923 356 T HN 0.347 nan 8.240 nan 0.000 0.468 357 L N 2.513 123.848 121.223 0.185 0.000 2.256 357 L HA 0.700 5.040 4.340 0.001 0.000 0.261 357 L C -0.315 176.571 176.870 0.026 0.000 1.022 357 L CA -1.206 53.771 54.840 0.228 0.000 0.828 357 L CB 2.069 44.187 42.059 0.098 0.000 1.374 357 L HN 0.476 nan 8.230 nan 0.000 0.436 358 M N 2.173 121.723 119.600 -0.084 0.000 2.134 358 M HA 0.531 5.011 4.480 0.001 0.000 0.310 358 M C -1.905 174.297 176.300 -0.163 0.000 0.966 358 M CA -0.428 54.649 55.300 -0.371 0.000 0.922 358 M CB 1.220 33.290 32.600 -0.884 0.000 1.537 358 M HN 0.395 nan 8.290 nan 0.000 0.424 359 L N 3.063 124.199 121.223 -0.144 0.000 2.329 359 L HA 0.601 4.942 4.340 0.001 0.000 0.279 359 L C -0.222 176.595 176.870 -0.088 0.000 1.014 359 L CA -0.591 54.200 54.840 -0.082 0.000 0.814 359 L CB 2.067 44.086 42.059 -0.066 0.000 1.257 359 L HN 0.630 nan 8.230 nan 0.000 0.424 360 S N 1.870 117.541 115.700 -0.048 0.000 2.478 360 S HA 0.745 5.216 4.470 0.001 0.000 0.312 360 S C -0.752 173.842 174.600 -0.010 0.000 1.094 360 S CA -0.472 57.704 58.200 -0.039 0.000 1.081 360 S CB 1.219 64.404 63.200 -0.025 0.000 1.007 360 S HN 0.302 nan 8.310 nan 0.000 0.475 361 V N 4.753 124.664 119.914 -0.004 0.000 2.531 361 V HA 0.737 4.857 4.120 0.001 0.000 0.301 361 V C 1.127 177.293 176.094 0.120 0.000 1.034 361 V CA 0.127 62.448 62.300 0.035 0.000 0.865 361 V CB 0.751 32.568 31.823 -0.010 0.000 0.995 361 V HN 1.216 nan 8.190 nan 0.000 0.424 362 G N 4.766 113.698 108.800 0.220 0.000 2.634 362 G HA2 -0.338 3.622 3.960 0.001 0.000 0.309 362 G HA3 -0.338 3.622 3.960 0.001 0.000 0.309 362 G C 1.123 176.061 174.900 0.063 0.000 1.265 362 G CA 1.024 46.257 45.100 0.222 0.000 0.998 362 G HN 1.573 nan 8.290 nan 0.000 0.551 363 S N -0.337 115.366 115.700 0.005 0.000 2.558 363 S HA 0.428 4.898 4.470 0.001 0.000 0.217 363 S C 1.192 175.765 174.600 -0.045 0.000 0.975 363 S CA 1.094 59.272 58.200 -0.037 0.000 0.912 363 S CB -0.050 63.103 63.200 -0.078 0.000 0.776 363 S HN 2.045 nan 8.310 nan 0.000 0.526 364 S N 2.204 117.882 115.700 -0.036 0.000 2.554 364 S HA 0.554 5.024 4.470 0.001 0.000 0.278 364 S C -0.136 174.419 174.600 -0.075 0.000 1.242 364 S CA -0.291 57.868 58.200 -0.067 0.000 1.051 364 S CB 1.079 64.229 63.200 -0.083 0.000 0.986 364 S HN 0.468 nan 8.310 nan 0.000 0.502 365 T N 0.667 115.158 114.554 -0.104 0.000 2.815 365 T HA 0.646 4.996 4.350 0.001 0.000 0.289 365 T C -0.472 174.130 174.700 -0.163 0.000 1.000 365 T CA -0.628 61.391 62.100 -0.134 0.000 0.958 365 T CB 0.977 69.753 68.868 -0.153 0.000 0.944 365 T HN 0.637 nan 8.240 nan 0.000 0.442 366 T N 3.662 118.115 114.554 -0.169 0.000 2.908 366 T HA 0.622 4.972 4.350 0.001 0.000 0.290 366 T C -0.533 174.054 174.700 -0.188 0.000 1.034 366 T CA -0.795 61.203 62.100 -0.170 0.000 1.010 366 T CB 1.693 70.465 68.868 -0.159 0.000 1.068 366 T HN 0.581 nan 8.240 nan 0.000 0.481 367 L N 1.857 122.982 121.223 -0.162 0.000 2.334 367 L HA 0.763 5.103 4.340 0.001 0.000 0.277 367 L C 0.405 177.240 176.870 -0.059 0.000 1.075 367 L CA 0.490 55.242 54.840 -0.146 0.000 0.804 367 L CB 0.852 42.851 42.059 -0.101 0.000 1.174 367 L HN 0.943 nan 8.230 nan 0.000 0.438 368 G N 4.132 112.916 108.800 -0.027 0.000 2.698 368 G HA2 0.470 4.430 3.960 0.001 0.000 0.293 368 G HA3 0.470 4.430 3.960 0.001 0.000 0.293 368 G C -2.011 172.910 174.900 0.035 0.000 1.437 368 G CA -0.535 44.571 45.100 0.010 0.000 0.852 368 G HN 0.699 nan 8.290 nan 0.000 0.499 369 I N 1.465 122.058 120.570 0.039 0.000 2.378 369 I HA 0.538 4.708 4.170 0.001 0.000 0.291 369 I C -0.125 176.003 176.117 0.019 0.000 0.992 369 I CA -0.934 60.388 61.300 0.037 0.000 1.154 369 I CB 1.598 39.623 38.000 0.041 0.000 1.315 369 I HN 0.272 nan 8.210 nan 0.000 0.448 370 V N 6.291 126.208 119.914 0.006 0.000 2.599 370 V HA 0.025 4.146 4.120 0.001 0.000 0.300 370 V C 1.320 177.411 176.094 -0.006 0.000 1.034 370 V CA 0.778 63.069 62.300 -0.014 0.000 1.115 370 V CB 0.799 32.600 31.823 -0.037 0.000 0.934 370 V HN 0.926 nan 8.190 nan 0.000 0.485 371 T N -0.556 113.995 114.554 -0.006 0.000 3.084 371 T HA 0.349 4.700 4.350 0.001 0.000 0.270 371 T C 0.271 174.969 174.700 -0.003 0.000 1.008 371 T CA 0.309 62.409 62.100 0.000 0.000 0.900 371 T CB 0.312 69.185 68.868 0.008 0.000 1.084 371 T HN 0.720 nan 8.240 nan 0.000 0.538 372 S N 0.006 115.699 115.700 -0.011 0.000 2.578 372 S HA 0.536 5.006 4.470 0.001 0.000 0.285 372 S C -2.166 172.424 174.600 -0.016 0.000 1.126 372 S CA -0.540 57.656 58.200 -0.007 0.000 0.878 372 S CB 1.476 64.677 63.200 0.002 0.000 1.091 372 S HN 0.290 nan 8.310 nan 0.000 0.450 373 V N 5.206 125.116 119.914 -0.007 0.000 2.462 373 V HA 0.510 4.630 4.120 0.001 0.000 0.288 373 V C -0.009 176.107 176.094 0.037 0.000 1.020 373 V CA -0.633 61.664 62.300 -0.005 0.000 0.857 373 V CB 1.415 33.220 31.823 -0.031 0.000 1.013 373 V HN 0.863 nan 8.190 nan 0.000 0.431 374 K N 2.097 122.548 120.400 0.085 0.000 2.502 374 K HA 0.533 4.853 4.320 0.001 0.000 0.256 374 K C 1.031 177.717 176.600 0.142 0.000 1.053 374 K CA -0.880 55.456 56.287 0.081 0.000 1.002 374 K CB 1.205 33.740 32.500 0.058 0.000 1.384 374 K HN 0.356 nan 8.250 nan 0.000 0.537 375 K N 0.989 121.435 120.400 0.076 0.000 2.137 375 K HA -0.075 4.245 4.320 0.001 0.000 0.202 375 K C 0.106 176.639 176.600 -0.112 0.000 1.052 375 K CA 1.880 58.196 56.287 0.047 0.000 0.961 375 K CB 0.154 32.645 32.500 -0.015 0.000 0.741 375 K HN 0.450 nan 8.250 nan 0.000 0.452 376 D N -0.064 120.226 120.400 -0.183 0.000 2.441 376 D HA 0.103 4.743 4.640 0.001 0.000 0.210 376 D C -0.482 175.609 176.300 -0.348 0.000 1.102 376 D CA 0.104 53.821 54.000 -0.472 0.000 0.840 376 D CB 0.916 41.544 40.800 -0.287 0.000 0.990 376 D HN 0.146 nan 8.370 nan 0.000 0.505 377 E N 0.442 120.708 120.200 0.111 0.000 2.393 377 E HA 0.645 4.995 4.350 0.001 0.000 0.273 377 E C -0.788 176.004 176.600 0.320 0.000 0.918 377 E CA -0.990 55.559 56.400 0.248 0.000 0.773 377 E CB 2.925 32.668 29.700 0.072 0.000 1.275 377 E HN 0.028 nan 8.360 nan 0.000 0.451 378 I N -2.436 118.227 120.570 0.155 0.000 2.913 378 I HA 0.541 4.711 4.170 0.001 0.000 0.302 378 I C -1.187 174.928 176.117 -0.002 0.000 1.246 378 I CA -0.870 60.431 61.300 0.002 0.000 1.010 378 I CB 2.472 40.358 38.000 -0.190 0.000 1.259 378 I HN 0.327 nan 8.210 nan 0.000 0.434 379 E N 3.180 123.372 120.200 -0.013 0.000 2.187 379 E HA 0.683 5.034 4.350 0.001 0.000 0.268 379 E C -1.409 175.185 176.600 -0.010 0.000 0.896 379 E CA -0.909 55.488 56.400 -0.005 0.000 0.766 379 E CB 2.931 32.634 29.700 0.004 0.000 1.142 379 E HN 0.453 nan 8.360 nan 0.000 0.408 380 V N 2.600 122.512 119.914 -0.004 0.000 2.604 380 V HA 0.228 4.348 4.120 0.001 0.000 0.305 380 V C -0.406 175.704 176.094 0.026 0.000 1.043 380 V CA -0.763 61.538 62.300 0.002 0.000 0.888 380 V CB 1.905 33.720 31.823 -0.013 0.000 0.995 380 V HN 0.675 nan 8.190 nan 0.000 0.429 381 E N 4.171 124.393 120.200 0.037 0.000 2.046 381 E HA 0.453 4.803 4.350 0.001 0.000 0.279 381 E C -1.030 175.620 176.600 0.083 0.000 0.989 381 E CA -0.458 55.984 56.400 0.070 0.000 0.798 381 E CB 0.752 30.488 29.700 0.060 0.000 1.086 381 E HN 0.567 nan 8.360 nan 0.000 0.399 382 L N 4.366 125.656 121.223 0.113 0.000 2.371 382 L HA 0.281 4.621 4.340 0.001 0.000 0.272 382 L C 1.572 178.539 176.870 0.162 0.000 1.124 382 L CA -0.348 54.542 54.840 0.082 0.000 0.816 382 L CB 0.810 42.867 42.059 -0.002 0.000 1.129 382 L HN 0.576 nan 8.230 nan 0.000 0.448 383 R N 1.905 122.456 120.500 0.085 0.000 2.148 383 R HA 0.031 4.371 4.340 0.001 0.000 0.227 383 R C 0.544 176.924 176.300 0.133 0.000 1.103 383 R CA 1.148 57.322 56.100 0.123 0.000 0.983 383 R CB 0.180 30.511 30.300 0.051 0.000 0.874 383 R HN 0.569 nan 8.270 nan 0.000 0.451 384 R N 0.338 120.787 120.500 -0.086 0.000 2.584 384 R HA 0.314 4.654 4.340 0.001 0.000 0.276 384 R C -2.887 172.965 176.300 -0.746 0.000 1.046 384 R CA -2.534 53.320 56.100 -0.409 0.000 0.906 384 R CB 1.800 31.922 30.300 -0.297 0.000 1.215 384 R HN -0.037 nan 8.270 nan 0.000 0.449 385 P HA 0.014 nan 4.420 nan 0.000 0.272 385 P C -0.735 176.166 177.300 -0.666 0.000 1.243 385 P CA -0.263 62.083 63.100 -1.256 0.000 0.803 385 P CB 0.726 31.483 31.700 -1.572 0.000 0.974 386 V N -0.042 119.608 119.914 -0.439 0.000 2.655 386 V HA 0.400 4.521 4.120 0.001 0.000 0.301 386 V C -0.112 175.890 176.094 -0.153 0.000 1.082 386 V CA -0.868 61.278 62.300 -0.257 0.000 0.899 386 V CB 1.710 33.418 31.823 -0.191 0.000 1.014 386 V HN 0.779 nan 8.190 nan 0.000 0.429 387 A N 5.003 127.777 122.820 -0.077 0.000 2.451 387 A HA 0.583 4.904 4.320 0.001 0.000 0.266 387 A C -0.215 177.421 177.584 0.086 0.000 1.119 387 A CA -0.058 51.995 52.037 0.028 0.000 0.786 387 A CB 0.371 19.420 19.000 0.082 0.000 1.061 387 A HN 0.854 nan 8.150 nan 0.000 0.503 388 V N 4.901 124.816 119.914 0.002 0.000 2.239 388 V HA 0.070 4.190 4.120 0.001 0.000 0.267 388 V C 0.682 176.718 176.094 -0.098 0.000 1.056 388 V CA -0.446 61.758 62.300 -0.161 0.000 0.830 388 V CB -0.407 31.313 31.823 -0.170 0.000 1.090 388 V HN 1.168 nan 8.190 nan 0.000 0.459 389 W N 2.958 124.241 121.300 -0.029 0.000 2.525 389 W HA 0.230 4.890 4.660 0.000 0.000 0.259 389 W C 0.634 177.145 176.519 -0.014 0.000 1.253 389 W CA 0.520 57.853 57.345 -0.021 0.000 1.262 389 W CB -0.050 29.398 29.460 -0.020 0.000 1.122 389 W HN 0.497 nan 8.180 nan 0.000 0.607 390 S N -0.968 114.515 115.700 -0.361 0.000 2.625 390 S HA 0.263 4.734 4.470 0.001 0.000 0.271 390 S C 0.293 174.740 174.600 -0.255 0.000 1.161 390 S CA -0.335 57.739 58.200 -0.209 0.000 0.820 390 S CB 0.921 64.036 63.200 -0.142 0.000 1.137 390 S HN 0.073 nan 8.310 nan 0.000 0.470 391 N N 1.866 120.482 118.700 -0.140 0.000 2.063 391 N HA 0.082 4.823 4.740 0.001 0.000 0.192 391 N C -0.046 175.375 175.510 -0.147 0.000 1.071 391 N CA 1.319 54.295 53.050 -0.124 0.000 0.858 391 N CB -0.338 38.109 38.487 -0.066 0.000 1.050 391 N HN 0.622 nan 8.380 nan 0.000 0.434 392 N N 1.117 119.759 118.700 -0.097 0.000 2.410 392 N HA 0.083 4.824 4.740 0.001 0.000 0.281 392 N C -0.885 174.561 175.510 -0.107 0.000 1.241 392 N CA 0.413 53.419 53.050 -0.073 0.000 0.998 392 N CB -0.149 38.325 38.487 -0.021 0.000 1.376 392 N HN 0.375 nan 8.380 nan 0.000 0.490 393 I N 1.248 121.719 120.570 -0.165 0.000 2.406 393 I HA 0.254 4.425 4.170 0.001 0.000 0.290 393 I C 0.850 176.918 176.117 -0.082 0.000 0.999 393 I CA -0.806 60.363 61.300 -0.217 0.000 1.124 393 I CB 1.966 39.664 38.000 -0.504 0.000 1.289 393 I HN 0.128 nan 8.210 nan 0.000 0.441 394 R N 3.259 123.756 120.500 -0.006 0.000 2.594 394 R HA 0.367 4.708 4.340 0.001 0.000 0.272 394 R C -0.422 175.913 176.300 0.058 0.000 1.074 394 R CA 0.241 56.389 56.100 0.079 0.000 1.105 394 R CB 1.128 31.465 30.300 0.063 0.000 1.008 394 R HN 0.659 nan 8.270 nan 0.000 0.472 395 T N 2.018 116.640 114.554 0.113 0.000 2.952 395 T HA 0.369 4.720 4.350 0.001 0.000 0.305 395 T C -1.339 173.439 174.700 0.130 0.000 1.064 395 T CA -0.632 61.513 62.100 0.074 0.000 1.008 395 T CB 1.352 70.233 68.868 0.022 0.000 1.078 395 T HN 0.223 nan 8.240 nan 0.000 0.459 396 V N 5.887 125.857 119.914 0.094 0.000 2.370 396 V HA 0.511 4.632 4.120 0.001 0.000 0.279 396 V C -0.176 175.965 176.094 0.078 0.000 1.029 396 V CA -0.761 61.609 62.300 0.117 0.000 0.870 396 V CB 0.976 32.853 31.823 0.090 0.000 0.984 396 V HN 0.781 nan 8.190 nan 0.000 0.451 397 I N 4.236 124.863 120.570 0.094 0.000 2.365 397 I HA 0.434 4.604 4.170 0.001 0.000 0.291 397 I C 0.585 176.765 176.117 0.105 0.000 1.004 397 I CA 0.974 62.315 61.300 0.068 0.000 1.311 397 I CB 1.419 39.443 38.000 0.040 0.000 1.401 397 I HN 0.598 nan 8.210 nan 0.000 0.491 398 S N 5.890 121.671 115.700 0.135 0.000 2.599 398 S HA 0.767 5.237 4.470 0.001 0.000 0.294 398 S C -0.546 174.302 174.600 0.413 0.000 1.094 398 S CA -0.867 57.482 58.200 0.248 0.000 0.931 398 S CB 2.473 65.829 63.200 0.260 0.000 1.093 398 S HN 0.585 nan 8.310 nan 0.000 0.488 399 R N 0.295 121.027 120.500 0.387 0.000 2.836 399 R HA 0.326 4.666 4.340 0.001 0.000 0.269 399 R C -1.162 175.005 176.300 -0.222 0.000 1.010 399 R CA -0.627 55.587 56.100 0.191 0.000 0.930 399 R CB 0.974 31.309 30.300 0.058 0.000 1.218 399 R HN 0.455 nan 8.270 nan 0.000 0.473 400 Q N 2.576 121.988 119.800 -0.647 0.000 3.179 400 Q HA 0.114 4.454 4.340 0.001 0.000 0.328 400 Q C -0.362 175.416 176.000 -0.370 0.000 1.336 400 Q CA -0.117 55.205 55.803 -0.803 0.000 0.939 400 Q CB -0.414 27.817 28.738 -0.845 0.000 1.658 400 Q HN 0.350 nan 8.270 nan 0.000 0.486 401 I N 1.203 121.633 120.570 -0.232 0.000 2.505 401 I HA 0.052 4.222 4.170 0.001 0.000 0.287 401 I C -0.023 176.014 176.117 -0.133 0.000 1.104 401 I CA 0.184 61.405 61.300 -0.133 0.000 1.387 401 I CB 0.163 38.124 38.000 -0.064 0.000 1.404 401 I HN 0.506 nan 8.210 nan 0.000 0.528 402 A N 5.512 128.262 122.820 -0.116 0.000 1.463 402 A HA 0.137 4.458 4.320 0.001 0.000 0.200 402 A C 1.534 179.054 177.584 -0.107 0.000 1.185 402 A CA 1.119 53.098 52.037 -0.095 0.000 0.725 402 A CB -1.632 17.333 19.000 -0.059 0.000 1.108 402 A HN 2.335 nan 8.150 nan 0.000 0.187 403 G N 3.029 111.756 108.800 -0.122 0.000 5.045 403 G HA2 -0.239 3.722 3.960 0.001 0.000 0.229 403 G HA3 -0.239 3.722 3.960 0.001 0.000 0.229 403 G C 0.293 175.102 174.900 -0.152 0.000 1.440 403 G CA 1.190 46.227 45.100 -0.105 0.000 0.936 403 G HN 2.155 nan 8.290 nan 0.000 0.690 404 R N -0.821 119.584 120.500 -0.159 0.000 2.905 404 R HA 0.610 4.951 4.340 0.001 0.000 0.260 404 R C -0.872 175.287 176.300 -0.234 0.000 1.086 404 R CA -1.104 54.892 56.100 -0.174 0.000 0.978 404 R CB 0.670 30.987 30.300 0.027 0.000 1.215 404 R HN 0.316 nan 8.270 nan 0.000 0.480 405 W N 0.991 122.296 121.300 0.008 0.000 2.181 405 W HA 0.329 4.989 4.660 -0.000 0.000 0.335 405 W C 0.331 176.860 176.519 0.016 0.000 1.310 405 W CA -0.115 57.236 57.345 0.011 0.000 1.226 405 W CB 0.416 29.883 29.460 0.011 0.000 1.155 405 W HN 0.225 nan 8.180 nan 0.000 0.565 406 R N 3.464 124.096 120.500 0.220 0.000 2.548 406 R HA 0.336 4.677 4.340 0.001 0.000 0.280 406 R C -0.334 176.059 176.300 0.155 0.000 1.061 406 R CA -1.088 55.101 56.100 0.148 0.000 0.915 406 R CB 1.518 31.865 30.300 0.078 0.000 1.210 406 R HN 0.429 nan 8.270 nan 0.000 0.442 407 M N 4.182 123.868 119.600 0.143 0.000 2.248 407 M HA 0.094 4.574 4.480 0.001 0.000 0.343 407 M C 0.926 177.302 176.300 0.127 0.000 1.243 407 M CA 1.007 56.389 55.300 0.137 0.000 1.025 407 M CB -0.143 32.533 32.600 0.128 0.000 1.759 407 M HN 0.793 nan 8.290 nan 0.000 0.452 408 I N -1.333 119.312 120.570 0.125 0.000 4.338 408 I HA 0.669 4.839 4.170 0.001 0.000 0.329 408 I C 0.321 176.511 176.117 0.122 0.000 1.378 408 I CA -0.194 61.171 61.300 0.108 0.000 1.170 408 I CB 0.704 38.752 38.000 0.080 0.000 1.206 408 I HN 0.850 nan 8.210 nan 0.000 0.432 409 G N 0.941 109.834 108.800 0.155 0.000 2.337 409 G HA2 0.233 4.194 3.960 0.001 0.000 0.298 409 G HA3 0.233 4.194 3.960 0.001 0.000 0.298 409 G C -2.004 173.046 174.900 0.250 0.000 1.335 409 G CA -0.351 44.863 45.100 0.190 0.000 0.875 409 G HN 0.392 nan 8.290 nan 0.000 0.579 410 W N -0.467 120.865 121.300 0.053 0.000 3.505 410 W HA 0.897 5.557 4.660 0.000 0.000 0.338 410 W C 0.224 176.774 176.519 0.052 0.000 1.159 410 W CA -0.900 56.463 57.345 0.029 0.000 0.981 410 W CB 0.975 30.428 29.460 -0.013 0.000 1.575 410 W HN 2.065 nan 8.180 nan 0.000 0.608 411 G N -0.311 108.582 108.800 0.154 0.000 2.320 411 G HA2 0.385 4.345 3.960 0.001 0.000 0.297 411 G HA3 0.385 4.345 3.960 0.001 0.000 0.297 411 G C -2.347 172.609 174.900 0.092 0.000 1.344 411 G CA -1.149 43.830 45.100 -0.201 0.000 0.851 411 G HN 0.581 nan 8.290 nan 0.000 0.567 412 L N -0.514 120.705 121.223 -0.007 0.000 2.313 412 L HA 0.779 5.120 4.340 0.001 0.000 0.268 412 L C -0.116 176.736 176.870 -0.029 0.000 1.010 412 L CA -1.335 53.518 54.840 0.021 0.000 0.814 412 L CB 2.010 44.085 42.059 0.027 0.000 1.304 412 L HN 0.351 nan 8.230 nan 0.000 0.441 413 V N 0.831 120.709 119.914 -0.059 0.000 2.398 413 V HA 0.270 4.390 4.120 0.001 0.000 0.286 413 V C -0.427 175.621 176.094 -0.077 0.000 1.026 413 V CA -0.575 61.679 62.300 -0.077 0.000 0.868 413 V CB 1.625 33.373 31.823 -0.124 0.000 0.982 413 V HN 0.652 nan 8.190 nan 0.000 0.443 414 E N 4.598 124.764 120.200 -0.055 0.000 2.197 414 E HA 0.713 5.063 4.350 0.001 0.000 0.281 414 E C -0.322 176.250 176.600 -0.045 0.000 0.995 414 E CA -0.181 56.191 56.400 -0.047 0.000 0.808 414 E CB 1.658 31.338 29.700 -0.033 0.000 1.093 414 E HN 0.687 nan 8.360 nan 0.000 0.394 415 I N 0.000 120.543 120.570 -0.045 0.000 2.984 415 I HA 0.000 4.170 4.170 0.001 0.000 0.288 415 I CA 0.000 61.279 61.300 -0.036 0.000 1.566 415 I CB 0.000 37.970 38.000 -0.050 0.000 1.214 415 I HN 0.000 nan 8.210 nan 0.000 0.494