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 2plf_1_A 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 0.000 177.721 177.584 0.228 0.000 1.274 2 A CA 0.000 52.090 52.037 0.089 0.000 0.836 2 A CB 0.000 19.024 19.000 0.040 0.000 0.831 3 W N 1.617 122.868 121.300 -0.082 0.000 2.381 3 W HA 0.608 5.268 4.660 0.001 0.000 0.329 3 W C -1.674 174.678 176.519 -0.279 0.000 1.157 3 W CA -1.675 55.548 57.345 -0.204 0.000 1.240 3 W CB 0.063 29.442 29.460 -0.136 0.000 1.199 3 W HN 0.638 nan 8.180 nan 0.000 0.579 4 P HA 0.161 nan 4.420 nan 0.000 0.276 4 P C -0.869 176.327 177.300 -0.173 0.000 1.252 4 P CA -0.488 62.456 63.100 -0.260 0.000 0.802 4 P CB 1.139 32.618 31.700 -0.367 0.000 1.035 5 K N 1.517 121.896 120.400 -0.035 0.000 2.319 5 K HA 0.316 4.636 4.320 0.000 0.000 0.237 5 K C -0.186 176.560 176.600 0.244 0.000 1.113 5 K CA -0.504 55.835 56.287 0.088 0.000 1.072 5 K CB -0.256 32.285 32.500 0.067 0.000 1.734 5 K HN 0.376 nan 8.250 nan 0.000 0.429 6 V N -0.069 119.915 119.914 0.116 0.000 3.096 6 V HA 0.477 4.597 4.120 0.000 0.000 0.319 6 V C -0.339 175.640 176.094 -0.191 0.000 1.103 6 V CA -1.045 61.245 62.300 -0.016 0.000 1.016 6 V CB 1.479 33.246 31.823 -0.094 0.000 1.090 6 V HN 0.654 nan 8.190 nan 0.000 0.449 7 Q N 0.916 120.302 119.800 -0.690 0.000 2.260 7 Q HA 0.617 4.957 4.340 0.000 0.000 0.238 7 Q C -2.669 173.082 176.000 -0.414 0.000 0.948 7 Q CA -1.865 53.437 55.803 -0.835 0.000 0.895 7 Q CB 0.546 28.198 28.738 -1.810 0.000 1.218 7 Q HN 0.558 nan 8.270 nan 0.000 0.470 8 P HA -0.055 nan 4.420 nan 0.000 0.269 8 P C -0.725 176.474 177.300 -0.168 0.000 1.215 8 P CA -0.012 63.017 63.100 -0.118 0.000 0.780 8 P CB 0.498 32.190 31.700 -0.013 0.000 0.898 9 E N 0.288 120.406 120.200 -0.137 0.000 2.511 9 E HA 0.213 4.563 4.350 0.000 0.000 0.209 9 E C -0.041 176.497 176.600 -0.103 0.000 0.986 9 E CA -0.210 56.110 56.400 -0.133 0.000 0.974 9 E CB 0.250 29.872 29.700 -0.129 0.000 1.030 9 E HN 0.189 nan 8.360 nan 0.000 0.490 10 V N -1.001 118.851 119.914 -0.104 0.000 3.087 10 V HA 0.503 4.623 4.120 0.000 0.000 0.306 10 V C -1.348 174.683 176.094 -0.105 0.000 1.187 10 V CA -1.271 60.970 62.300 -0.098 0.000 0.999 10 V CB 1.957 33.708 31.823 -0.119 0.000 1.049 10 V HN 0.015 nan 8.190 nan 0.000 0.431 11 N N 2.138 120.793 118.700 -0.074 0.000 2.372 11 N HA 0.696 5.437 4.740 0.000 0.000 0.285 11 N C -1.213 174.242 175.510 -0.091 0.000 1.008 11 N CA -0.238 52.777 53.050 -0.058 0.000 0.880 11 N CB 2.405 40.910 38.487 0.030 0.000 1.239 11 N HN 0.757 nan 8.380 nan 0.000 0.484 12 I N 0.687 121.158 120.570 -0.165 0.000 2.389 12 I HA 0.351 4.521 4.170 0.000 0.000 0.288 12 I C 0.889 177.040 176.117 0.056 0.000 0.999 12 I CA -0.968 60.272 61.300 -0.100 0.000 1.129 12 I CB 1.871 39.729 38.000 -0.236 0.000 1.288 12 I HN 0.356 nan 8.210 nan 0.000 0.444 13 G N 5.542 114.388 108.800 0.077 0.000 2.353 13 G HA2 0.476 4.436 3.960 0.000 0.000 0.284 13 G HA3 0.476 4.436 3.960 0.000 0.000 0.284 13 G C -0.491 174.484 174.900 0.125 0.000 1.172 13 G CA -0.256 44.906 45.100 0.104 0.000 0.854 13 G HN 0.367 nan 8.290 nan 0.000 0.485 14 V N 3.577 123.571 119.914 0.133 0.000 2.311 14 V HA 0.185 4.305 4.120 0.000 0.000 0.275 14 V C 0.012 176.118 176.094 0.019 0.000 1.022 14 V CA -0.575 61.779 62.300 0.089 0.000 0.830 14 V CB 1.230 33.098 31.823 0.075 0.000 1.012 14 V HN 0.500 nan 8.190 nan 0.000 0.452 15 V N 5.088 124.989 119.914 -0.021 0.000 2.318 15 V HA 0.653 4.773 4.120 0.000 0.000 0.271 15 V C 0.906 176.910 176.094 -0.150 0.000 1.030 15 V CA -0.139 62.080 62.300 -0.135 0.000 0.844 15 V CB 1.018 32.733 31.823 -0.179 0.000 1.015 15 V HN 0.847 nan 8.190 nan 0.000 0.460 16 G N 1.308 110.034 108.800 -0.124 0.000 2.491 16 G HA2 0.340 4.300 3.960 0.000 0.000 0.327 16 G HA3 0.340 4.300 3.960 0.000 0.000 0.327 16 G C 0.530 175.467 174.900 0.061 0.000 1.189 16 G CA -0.347 44.740 45.100 -0.021 0.000 0.956 16 G HN 0.787 nan 8.290 nan 0.000 0.491 17 H N -0.931 118.169 119.070 0.049 0.000 2.276 17 H HA 0.099 4.656 4.556 0.001 0.000 0.301 17 H C 0.734 176.164 175.328 0.170 0.000 1.073 17 H CA 1.799 57.931 56.048 0.141 0.000 1.311 17 H CB 0.290 30.108 29.762 0.095 0.000 1.379 17 H HN 0.410 nan 8.280 nan 0.000 0.494 18 V N -1.874 118.050 119.914 0.017 0.000 3.278 18 V HA 0.174 4.294 4.120 0.000 0.000 0.288 18 V C -0.590 175.438 176.094 -0.109 0.000 1.514 18 V CA -0.584 61.690 62.300 -0.043 0.000 1.051 18 V CB 1.775 33.485 31.823 -0.189 0.000 1.163 18 V HN 0.854 nan 8.190 nan 0.000 0.458 19 D N 1.442 121.771 120.400 -0.120 0.000 3.555 19 D HA -0.321 4.320 4.640 0.000 0.000 0.255 19 D C 0.086 176.321 176.300 -0.109 0.000 1.942 19 D CA 1.450 55.336 54.000 -0.190 0.000 1.112 19 D CB -0.799 39.701 40.800 -0.500 0.000 0.856 19 D HN 1.354 nan 8.370 nan 0.000 1.027 20 H N -0.123 118.963 119.070 0.027 0.000 2.842 20 H HA 0.477 5.034 4.556 0.000 0.000 0.312 20 H C 1.157 176.543 175.328 0.096 0.000 1.137 20 H CA 0.311 56.421 56.048 0.104 0.000 1.176 20 H CB -0.884 29.043 29.762 0.274 0.000 1.361 20 H HN 0.550 nan 8.280 nan 0.000 0.557 21 G N 1.285 110.064 108.800 -0.034 0.000 4.291 21 G HA2 0.294 4.254 3.960 0.000 0.000 0.304 21 G HA3 0.294 4.254 3.960 0.000 0.000 0.304 21 G C 0.426 175.332 174.900 0.010 0.000 1.264 21 G CA -0.650 44.438 45.100 -0.020 0.000 1.039 21 G HN 0.448 nan 8.290 nan 0.000 0.578 22 K N -3.107 117.313 120.400 0.033 0.000 1.827 22 K HA -0.007 4.313 4.320 0.000 0.000 0.124 22 K C 0.813 177.421 176.600 0.013 0.000 2.052 22 K CA 0.367 56.660 56.287 0.010 0.000 0.965 22 K CB -0.765 31.737 32.500 0.004 0.000 2.147 22 K HN -0.032 nan 8.250 nan 0.000 0.370 23 T N 0.266 114.864 114.554 0.073 0.000 3.040 23 T HA -0.017 4.334 4.350 0.000 0.000 0.252 23 T C 1.480 176.315 174.700 0.225 0.000 1.064 23 T CA 1.304 63.445 62.100 0.070 0.000 1.110 23 T CB 0.243 69.131 68.868 0.033 0.000 0.921 23 T HN 0.503 nan 8.240 nan 0.000 0.480 24 T N -0.072 114.630 114.554 0.247 0.000 3.086 24 T HA 0.233 4.583 4.350 0.000 0.000 0.250 24 T C 1.659 176.392 174.700 0.055 0.000 1.074 24 T CA -0.100 62.124 62.100 0.206 0.000 0.988 24 T CB -0.143 68.815 68.868 0.150 0.000 0.988 24 T HN 0.113 nan 8.240 nan 0.000 0.530 25 L N 1.142 122.367 121.223 0.004 0.000 2.202 25 L HA 0.361 4.701 4.340 0.000 0.000 0.205 25 L C 2.308 179.071 176.870 -0.179 0.000 1.083 25 L CA 1.054 55.850 54.840 -0.073 0.000 0.790 25 L CB -0.481 41.532 42.059 -0.077 0.000 0.942 25 L HN 0.128 nan 8.230 nan 0.000 0.452 26 V N -0.157 119.631 119.914 -0.209 0.000 2.379 26 V HA -0.234 3.886 4.120 0.000 0.000 0.245 26 V C 2.533 178.520 176.094 -0.179 0.000 1.044 26 V CA 1.593 63.658 62.300 -0.391 0.000 1.036 26 V CB -0.615 31.044 31.823 -0.272 0.000 0.664 26 V HN 0.611 nan 8.190 nan 0.000 0.453 27 Q N 1.185 120.980 119.800 -0.007 0.000 2.234 27 Q HA -0.165 4.176 4.340 0.000 0.000 0.206 27 Q C 1.899 177.906 176.000 0.012 0.000 0.980 27 Q CA 2.326 58.176 55.803 0.078 0.000 0.869 27 Q CB -0.394 28.480 28.738 0.227 0.000 0.912 27 Q HN 0.587 nan 8.270 nan 0.000 0.436 28 A N -0.158 122.645 122.820 -0.028 0.000 1.935 28 A HA 0.076 4.397 4.320 0.000 0.000 0.214 28 A C 1.970 179.535 177.584 -0.032 0.000 1.178 28 A CA 0.947 52.967 52.037 -0.030 0.000 0.640 28 A CB -0.280 18.699 19.000 -0.035 0.000 0.825 28 A HN 0.452 nan 8.150 nan 0.000 0.447 29 I N -0.025 120.493 120.570 -0.086 0.000 2.716 29 I HA -0.110 4.060 4.170 0.000 0.000 0.259 29 I C 2.498 178.632 176.117 0.027 0.000 1.172 29 I CA 1.679 62.950 61.300 -0.049 0.000 1.478 29 I CB -0.035 37.870 38.000 -0.160 0.000 1.104 29 I HN 0.524 nan 8.210 nan 0.000 0.439 30 T N -2.918 111.639 114.554 0.005 0.000 3.026 30 T HA 0.298 4.648 4.350 0.000 0.000 0.245 30 T C 1.423 176.159 174.700 0.061 0.000 1.004 30 T CA 0.506 62.647 62.100 0.069 0.000 1.069 30 T CB 0.529 69.446 68.868 0.082 0.000 1.005 30 T HN 0.367 nan 8.240 nan 0.000 0.472 31 G N 1.759 110.584 108.800 0.042 0.000 2.452 31 G HA2 -0.083 3.877 3.960 0.000 0.000 0.275 31 G HA3 -0.083 3.877 3.960 0.000 0.000 0.275 31 G C -0.121 174.814 174.900 0.058 0.000 1.131 31 G CA 0.053 45.179 45.100 0.044 0.000 1.031 31 G HN 1.301 nan 8.290 nan 0.000 0.511 32 I N -1.144 119.477 120.570 0.086 0.000 2.365 32 I HA 0.164 4.335 4.170 0.000 0.000 0.230 32 I C -0.100 176.138 176.117 0.202 0.000 1.392 32 I CA -1.066 60.303 61.300 0.114 0.000 1.262 32 I CB -0.305 37.730 38.000 0.060 0.000 1.681 32 I HN 0.265 nan 8.210 nan 0.000 0.426 33 W N 6.528 127.846 121.300 0.029 0.000 2.601 33 W HA -0.108 4.552 4.660 0.000 0.000 0.333 33 W C 1.541 178.139 176.519 0.131 0.000 1.080 33 W CA 1.618 58.995 57.345 0.053 0.000 1.212 33 W CB 0.562 30.047 29.460 0.042 0.000 1.127 33 W HN 0.687 nan 8.180 nan 0.000 0.558 34 T N 0.206 114.791 114.554 0.051 0.000 2.896 34 T HA 0.005 4.355 4.350 0.000 0.000 0.263 34 T C 0.860 175.480 174.700 -0.132 0.000 1.050 34 T CA 0.682 62.830 62.100 0.081 0.000 1.140 34 T CB -0.197 68.691 68.868 0.032 0.000 0.877 34 T HN 0.243 nan 8.240 nan 0.000 0.457 35 S N 1.819 117.157 115.700 -0.604 0.000 2.452 35 S HA 0.461 4.932 4.470 0.000 0.000 0.284 35 S C -0.098 174.047 174.600 -0.758 0.000 1.171 35 S CA -0.755 57.028 58.200 -0.694 0.000 1.064 35 S CB 0.496 63.218 63.200 -0.797 0.000 0.967 35 S HN 0.512 nan 8.310 nan 0.000 0.484 36 K N 1.240 121.374 120.400 -0.444 0.000 3.167 36 K HA -0.183 4.137 4.320 0.000 0.000 0.272 36 K C -0.657 175.909 176.600 -0.056 0.000 1.137 36 K CA 0.500 56.640 56.287 -0.244 0.000 0.800 36 K CB -1.957 30.445 32.500 -0.163 0.000 1.253 36 K HN 0.937 nan 8.250 nan 0.000 0.497 37 H N -2.021 117.042 119.070 -0.012 0.000 2.690 37 H HA 0.331 4.888 4.556 0.000 0.000 0.314 37 H C 0.814 176.177 175.328 0.058 0.000 1.069 37 H CA -0.407 55.684 56.048 0.072 0.000 1.436 37 H CB 1.864 31.670 29.762 0.074 0.000 1.462 37 H HN 0.046 nan 8.280 nan 0.000 0.511 38 S N 1.869 117.717 115.700 0.247 0.000 2.803 38 S HA -0.072 4.398 4.470 0.000 0.000 0.226 38 S C 1.006 175.714 174.600 0.179 0.000 0.962 38 S CA 0.029 58.327 58.200 0.164 0.000 0.968 38 S CB -0.468 62.797 63.200 0.108 0.000 0.786 38 S HN 0.680 nan 8.310 nan 0.000 0.527 39 E N 0.780 121.156 120.200 0.294 0.000 2.481 39 E HA 0.000 4.350 4.350 0.000 0.000 0.195 39 E C 1.731 178.453 176.600 0.203 0.000 1.047 39 E CA 0.148 56.636 56.400 0.147 0.000 0.867 39 E CB 0.075 29.699 29.700 -0.126 0.000 0.858 39 E HN 0.605 nan 8.360 nan 0.000 0.513 40 E N 0.521 120.892 120.200 0.285 0.000 2.230 40 E HA -0.078 4.272 4.350 0.000 0.000 0.192 40 E C 1.795 178.414 176.600 0.032 0.000 0.987 40 E CA 0.223 56.709 56.400 0.145 0.000 0.841 40 E CB 0.229 29.962 29.700 0.054 0.000 0.783 40 E HN 0.169 nan 8.360 nan 0.000 0.481 41 L N 1.183 122.431 121.223 0.041 0.000 2.127 41 L HA 0.077 4.417 4.340 0.000 0.000 0.203 41 L C 1.640 178.515 176.870 0.010 0.000 1.080 41 L CA 1.179 56.021 54.840 0.004 0.000 0.768 41 L CB -0.115 41.952 42.059 0.013 0.000 0.924 41 L HN -0.136 nan 8.230 nan 0.000 0.444 42 K N 0.691 121.112 120.400 0.035 0.000 2.403 42 K HA 0.209 4.530 4.320 0.000 0.000 0.235 42 K C -0.794 175.829 176.600 0.039 0.000 1.142 42 K CA -0.431 55.875 56.287 0.031 0.000 1.114 42 K CB -0.247 32.274 32.500 0.035 0.000 1.777 42 K HN 0.085 nan 8.250 nan 0.000 0.424 43 R N 0.749 121.268 120.500 0.031 0.000 2.331 43 R HA -0.180 4.160 4.340 0.000 0.000 0.335 43 R C -0.068 176.274 176.300 0.070 0.000 1.089 43 R CA 0.755 56.882 56.100 0.044 0.000 0.921 43 R CB -1.460 28.867 30.300 0.045 0.000 2.657 43 R HN 0.969 nan 8.270 nan 0.000 0.496 44 G N 2.265 111.112 108.800 0.079 0.000 2.828 44 G HA2 -0.052 3.908 3.960 0.000 0.000 0.226 44 G HA3 -0.052 3.908 3.960 0.000 0.000 0.226 44 G C 0.054 175.038 174.900 0.140 0.000 1.090 44 G CA -0.623 44.551 45.100 0.123 0.000 1.035 44 G HN 0.286 nan 8.290 nan 0.000 0.578 45 M N 2.582 122.217 119.600 0.059 0.000 2.513 45 M HA 0.318 4.799 4.480 0.000 0.000 0.341 45 M C 0.306 176.651 176.300 0.075 0.000 1.689 45 M CA 1.070 56.357 55.300 -0.022 0.000 1.202 45 M CB -0.026 32.367 32.600 -0.345 0.000 1.996 45 M HN 0.381 nan 8.290 nan 0.000 0.458 46 T N 1.751 116.344 114.554 0.066 0.000 3.355 46 T HA 0.459 4.810 4.350 0.000 0.000 0.324 46 T C -0.568 174.135 174.700 0.006 0.000 0.932 46 T CA -0.734 61.402 62.100 0.061 0.000 1.032 46 T CB 0.791 69.715 68.868 0.093 0.000 1.027 46 T HN 0.615 nan 8.240 nan 0.000 0.456 47 I N 3.675 124.242 120.570 -0.004 0.000 2.416 47 I HA 0.278 4.448 4.170 0.000 0.000 0.288 47 I C 0.768 176.870 176.117 -0.024 0.000 1.051 47 I CA 0.140 61.421 61.300 -0.031 0.000 1.375 47 I CB 0.325 38.313 38.000 -0.019 0.000 1.407 47 I HN 0.941 nan 8.210 nan 0.000 0.516 48 K N 3.749 124.121 120.400 -0.047 0.000 3.606 48 K HA -0.216 4.104 4.320 0.000 0.000 0.289 48 K C -0.139 176.453 176.600 -0.014 0.000 1.221 48 K CA 0.906 57.174 56.287 -0.032 0.000 1.028 48 K CB -1.495 31.000 32.500 -0.008 0.000 1.299 48 K HN 0.520 nan 8.250 nan 0.000 0.454 49 L N 2.044 123.270 121.223 0.004 0.000 2.385 49 L HA 0.163 4.504 4.340 0.000 0.000 0.281 49 L C 1.014 177.955 176.870 0.118 0.000 1.106 49 L CA -0.023 54.859 54.840 0.070 0.000 0.856 49 L CB 0.832 42.947 42.059 0.093 0.000 1.186 49 L HN 0.197 nan 8.230 nan 0.000 0.453 50 G N 3.683 112.557 108.800 0.123 0.000 2.621 50 G HA2 0.093 4.053 3.960 0.000 0.000 0.306 50 G HA3 0.093 4.053 3.960 0.000 0.000 0.306 50 G C -0.967 174.101 174.900 0.280 0.000 0.893 50 G CA -0.043 45.156 45.100 0.165 0.000 1.486 50 G HN 0.550 nan 8.290 nan 0.000 0.477 51 Y N 2.801 123.236 120.300 0.225 0.000 2.447 51 Y HA 0.580 5.131 4.550 0.000 0.000 0.325 51 Y C -0.060 175.886 175.900 0.077 0.000 0.976 51 Y CA -0.771 57.421 58.100 0.153 0.000 1.280 51 Y CB 1.129 39.672 38.460 0.138 0.000 1.104 51 Y HN 0.661 nan 8.280 nan 0.000 0.486 52 A N 5.558 128.187 122.820 -0.319 0.000 2.435 52 A HA 0.770 5.090 4.320 0.000 0.000 0.304 52 A C -1.367 176.081 177.584 -0.228 0.000 1.064 52 A CA -0.842 51.057 52.037 -0.229 0.000 0.727 52 A CB 1.464 20.450 19.000 -0.023 0.000 1.284 52 A HN 0.726 nan 8.150 nan 0.000 0.415 53 E N 0.353 120.470 120.200 -0.139 0.000 2.359 53 E HA 0.844 5.194 4.350 0.000 0.000 0.266 53 E C -1.188 175.450 176.600 0.063 0.000 0.920 53 E CA -0.966 55.395 56.400 -0.065 0.000 0.788 53 E CB 2.174 31.820 29.700 -0.090 0.000 1.279 53 E HN 0.431 nan 8.360 nan 0.000 0.438 54 T N 0.291 114.894 114.554 0.083 0.000 2.821 54 T HA 0.337 4.687 4.350 0.000 0.000 0.306 54 T C -0.941 173.839 174.700 0.133 0.000 1.313 54 T CA -0.936 61.248 62.100 0.140 0.000 1.012 54 T CB 1.246 70.226 68.868 0.187 0.000 1.298 54 T HN 0.482 nan 8.240 nan 0.000 0.502 55 N N 0.458 119.288 118.700 0.216 0.000 2.487 55 N HA 0.610 5.350 4.740 0.000 0.000 0.292 55 N C -1.091 174.489 175.510 0.117 0.000 1.108 55 N CA -0.772 52.421 53.050 0.239 0.000 0.956 55 N CB 0.799 39.593 38.487 0.513 0.000 1.176 55 N HN 0.332 nan 8.380 nan 0.000 0.484 56 I N 1.480 121.930 120.570 -0.201 0.000 2.447 56 I HA 0.469 4.639 4.170 0.000 0.000 0.287 56 I C 0.606 176.511 176.117 -0.352 0.000 1.023 56 I CA -0.377 60.834 61.300 -0.149 0.000 1.083 56 I CB 0.764 38.683 38.000 -0.134 0.000 1.245 56 I HN 0.589 nan 8.210 nan 0.000 0.434 57 G N 4.173 112.989 108.800 0.026 0.000 3.042 57 G HA2 0.747 4.707 3.960 0.000 0.000 0.278 57 G HA3 0.747 4.707 3.960 0.000 0.000 0.278 57 G C -1.571 173.447 174.900 0.197 0.000 1.371 57 G CA -0.753 44.409 45.100 0.103 0.000 1.009 57 G HN 0.394 nan 8.290 nan 0.000 0.523 58 V N -1.189 118.819 119.914 0.157 0.000 2.817 58 V HA 0.413 4.533 4.120 0.000 0.000 0.303 58 V C -0.976 175.131 176.094 0.021 0.000 1.151 58 V CA -0.827 61.464 62.300 -0.015 0.000 0.929 58 V CB 1.392 33.102 31.823 -0.189 0.000 1.030 58 V HN 0.939 nan 8.190 nan 0.000 0.427 59 c N 6.364 124.952 118.600 -0.020 0.000 2.289 59 c HA 0.323 4.893 4.570 0.000 0.000 0.340 59 c C 1.753 175.822 174.090 -0.036 0.000 1.152 59 c CA -0.585 55.744 56.329 -0.001 0.000 1.650 59 c CB -0.565 41.944 42.510 -0.002 0.000 2.203 59 c HN 0.949 nan 8.230 nan 0.000 0.511 60 E N 1.689 121.881 120.200 -0.015 0.000 2.160 60 E HA -0.145 4.205 4.350 0.000 0.000 0.195 60 E C 2.099 178.686 176.600 -0.023 0.000 0.991 60 E CA 1.718 58.103 56.400 -0.025 0.000 0.810 60 E CB -0.165 29.534 29.700 -0.003 0.000 0.742 60 E HN 0.869 nan 8.360 nan 0.000 0.466 61 S N -0.423 115.269 115.700 -0.012 0.000 2.481 61 S HA -0.044 4.426 4.470 0.000 0.000 0.231 61 S C 1.282 175.873 174.600 -0.015 0.000 0.996 61 S CA 0.187 58.381 58.200 -0.010 0.000 0.942 61 S CB -0.276 62.922 63.200 -0.003 0.000 0.768 61 S HN 0.083 nan 8.310 nan 0.000 0.520 62 c N 2.260 120.845 118.600 -0.025 0.000 2.401 62 c HA 0.721 5.292 4.570 0.000 0.000 0.356 62 c C 0.375 174.443 174.090 -0.037 0.000 1.192 62 c CA -1.505 54.809 56.329 -0.025 0.000 2.028 62 c CB 1.437 43.934 42.510 -0.020 0.000 2.344 62 c HN 0.599 nan 8.230 nan 0.000 0.525 63 K N 1.084 121.471 120.400 -0.021 0.000 2.126 63 K HA 0.530 4.850 4.320 0.000 0.000 0.257 63 K C -0.712 175.881 176.600 -0.013 0.000 1.007 63 K CA -0.023 56.255 56.287 -0.015 0.000 0.928 63 K CB 0.459 32.961 32.500 0.003 0.000 1.013 63 K HN 0.554 nan 8.250 nan 0.000 0.473 64 K N 1.118 121.521 120.400 0.005 0.000 2.123 64 K HA 0.230 4.550 4.320 0.000 0.000 0.248 64 K C -1.835 174.829 176.600 0.106 0.000 0.969 64 K CA -2.262 54.063 56.287 0.063 0.000 0.882 64 K CB 1.248 33.801 32.500 0.089 0.000 1.080 64 K HN 0.521 nan 8.250 nan 0.000 0.441 65 P HA -0.085 nan 4.420 nan 0.000 0.225 65 P C 0.016 177.487 177.300 0.285 0.000 1.156 65 P CA 1.069 64.347 63.100 0.296 0.000 0.787 65 P CB 0.336 32.156 31.700 0.200 0.000 0.802 66 E N 0.869 121.157 120.200 0.146 0.000 2.393 66 E HA -0.133 4.217 4.350 0.000 0.000 0.201 66 E C 2.064 178.712 176.600 0.080 0.000 1.025 66 E CA 1.296 57.761 56.400 0.108 0.000 0.856 66 E CB -0.934 28.804 29.700 0.063 0.000 0.771 66 E HN 0.315 nan 8.360 nan 0.000 0.526 67 A N -0.093 122.737 122.820 0.016 0.000 2.119 67 A HA -0.055 4.266 4.320 0.000 0.000 0.217 67 A C 0.136 177.638 177.584 -0.137 0.000 1.153 67 A CA 0.357 52.330 52.037 -0.108 0.000 0.692 67 A CB -0.284 18.576 19.000 -0.233 0.000 0.799 67 A HN 0.191 nan 8.150 nan 0.000 0.458 68 Y N -0.239 120.098 120.300 0.060 0.000 2.319 68 Y HA 0.404 4.954 4.550 0.000 0.000 0.328 68 Y C 0.440 176.398 175.900 0.097 0.000 1.133 68 Y CA -0.197 57.948 58.100 0.075 0.000 1.265 68 Y CB 0.978 39.474 38.460 0.060 0.000 1.218 68 Y HN 0.154 nan 8.280 nan 0.000 0.508 69 V N -1.139 118.948 119.914 0.288 0.000 3.007 69 V HA 0.581 4.701 4.120 0.000 0.000 0.311 69 V C 0.108 176.397 176.094 0.325 0.000 1.120 69 V CA -0.549 61.904 62.300 0.254 0.000 0.980 69 V CB 1.720 33.667 31.823 0.207 0.000 1.033 69 V HN 0.806 nan 8.190 nan 0.000 0.429 70 T N -2.014 112.701 114.554 0.269 0.000 3.085 70 T HA 0.450 4.800 4.350 0.000 0.000 0.264 70 T C 0.137 175.047 174.700 0.350 0.000 1.019 70 T CA 0.171 62.453 62.100 0.303 0.000 0.910 70 T CB 0.006 68.996 68.868 0.203 0.000 1.059 70 T HN 0.700 nan 8.240 nan 0.000 0.542 71 E N 2.035 122.375 120.200 0.233 0.000 2.343 71 E HA 0.433 4.783 4.350 0.000 0.000 0.270 71 E C -2.856 173.486 176.600 -0.431 0.000 0.895 71 E CA -2.584 53.809 56.400 -0.011 0.000 0.767 71 E CB 2.302 31.991 29.700 -0.019 0.000 1.248 71 E HN -0.142 nan 8.360 nan 0.000 0.440 72 P HA 0.091 nan 4.420 nan 0.000 0.231 72 P C -0.889 176.110 177.300 -0.502 0.000 1.756 72 P CA 0.157 62.581 63.100 -1.127 0.000 0.990 72 P CB -0.039 31.014 31.700 -1.079 0.000 1.973 73 S N 0.391 115.905 115.700 -0.309 0.000 2.543 73 S HA 0.333 4.803 4.470 0.000 0.000 0.273 73 S C -0.007 174.550 174.600 -0.072 0.000 1.152 73 S CA -0.440 57.668 58.200 -0.154 0.000 0.910 73 S CB 0.671 63.803 63.200 -0.113 0.000 1.105 73 S HN 0.230 nan 8.310 nan 0.000 0.465 74 c N 4.784 123.356 118.600 -0.047 0.000 3.125 74 c HA 0.353 4.923 4.570 0.000 0.000 0.284 74 c C 1.904 175.986 174.090 -0.013 0.000 1.386 74 c CA -0.587 55.733 56.329 -0.015 0.000 1.763 74 c CB -0.643 41.863 42.510 -0.007 0.000 2.377 74 c HN 0.792 nan 8.230 nan 0.000 0.620 75 K N 1.429 121.817 120.400 -0.020 0.000 2.152 75 K HA -0.086 4.234 4.320 0.000 0.000 0.206 75 K C 1.870 178.467 176.600 -0.005 0.000 1.048 75 K CA 0.989 57.267 56.287 -0.014 0.000 0.933 75 K CB -0.658 31.831 32.500 -0.019 0.000 0.721 75 K HN 0.441 nan 8.250 nan 0.000 0.447 76 S N 0.713 116.413 115.700 0.001 0.000 2.428 76 S HA -0.185 4.285 4.470 0.000 0.000 0.240 76 S C 1.545 176.152 174.600 0.011 0.000 1.036 76 S CA 1.518 59.725 58.200 0.011 0.000 1.009 76 S CB -0.532 62.682 63.200 0.023 0.000 0.803 76 S HN 0.565 nan 8.310 nan 0.000 0.486 77 c N -0.562 118.041 118.600 0.006 0.000 3.206 77 c HA 0.749 5.319 4.570 0.000 0.000 0.206 77 c C 1.080 175.170 174.090 0.000 0.000 1.836 77 c CA -0.959 55.372 56.329 0.005 0.000 1.382 77 c CB -0.700 41.814 42.510 0.006 0.000 2.405 77 c HN 0.538 nan 8.230 nan 0.000 0.516 78 G N 1.465 110.264 108.800 -0.001 0.000 2.395 78 G HA2 -0.058 3.903 3.960 0.000 0.000 0.300 78 G HA3 -0.058 3.903 3.960 0.000 0.000 0.300 78 G C -0.079 174.818 174.900 -0.005 0.000 0.998 78 G CA 0.965 46.062 45.100 -0.003 0.000 1.046 78 G HN 1.413 nan 8.290 nan 0.000 0.513 79 S N -1.172 114.524 115.700 -0.007 0.000 2.548 79 S HA 0.558 5.029 4.470 0.000 0.000 0.276 79 S C -0.180 174.412 174.600 -0.013 0.000 1.129 79 S CA -0.446 57.749 58.200 -0.008 0.000 0.931 79 S CB 1.315 64.512 63.200 -0.005 0.000 1.068 79 S HN 0.116 nan 8.310 nan 0.000 0.480 80 D N 1.883 122.275 120.400 -0.014 0.000 2.427 80 D HA 0.241 4.881 4.640 0.000 0.000 0.224 80 D C -0.836 175.451 176.300 -0.023 0.000 1.157 80 D CA -0.090 53.898 54.000 -0.021 0.000 0.828 80 D CB 0.266 41.054 40.800 -0.019 0.000 0.974 80 D HN 0.410 nan 8.370 nan 0.000 0.498 81 D N 1.431 121.822 120.400 -0.015 0.000 2.277 81 D HA 0.021 4.661 4.640 0.000 0.000 0.249 81 D C 0.475 176.766 176.300 -0.014 0.000 1.134 81 D CA -0.194 53.802 54.000 -0.007 0.000 0.863 81 D CB 0.989 41.794 40.800 0.007 0.000 1.143 81 D HN 0.203 nan 8.370 nan 0.000 0.458 82 E N 3.794 123.980 120.200 -0.023 0.000 2.465 82 E HA 0.022 4.372 4.350 0.000 0.000 0.260 82 E C -2.089 174.539 176.600 0.047 0.000 0.980 82 E CA -1.159 55.209 56.400 -0.054 0.000 0.927 82 E CB 0.617 30.286 29.700 -0.052 0.000 0.934 82 E HN 0.149 nan 8.360 nan 0.000 0.459 83 P HA 0.059 nan 4.420 nan 0.000 0.277 83 P C -0.988 176.601 177.300 0.483 0.000 1.271 83 P CA -0.376 62.866 63.100 0.236 0.000 0.795 83 P CB 0.654 32.505 31.700 0.251 0.000 1.101 84 K N 0.872 121.478 120.400 0.343 0.000 2.322 84 K HA 0.178 4.498 4.320 0.000 0.000 0.283 84 K C -0.628 176.100 176.600 0.212 0.000 1.042 84 K CA -0.490 55.962 56.287 0.274 0.000 0.958 84 K CB 0.019 32.584 32.500 0.107 0.000 0.984 84 K HN 0.359 nan 8.250 nan 0.000 0.473 85 F N 5.546 125.377 119.950 -0.199 0.000 2.396 85 F HA 0.172 4.699 4.527 0.001 0.000 0.343 85 F C 0.283 175.839 175.800 -0.406 0.000 1.104 85 F CA -0.299 57.212 58.000 -0.815 0.000 1.161 85 F CB 0.624 38.898 39.000 -1.209 0.000 1.146 85 F HN 0.517 nan 8.300 nan 0.000 0.522 86 L N 4.634 125.194 121.223 -1.106 0.000 2.445 86 L HA 0.364 4.704 4.340 0.000 0.000 0.207 86 L C 0.048 176.358 176.870 -0.932 0.000 1.053 86 L CA -0.099 54.308 54.840 -0.722 0.000 0.841 86 L CB 0.012 41.830 42.059 -0.402 0.000 1.074 86 L HN 0.712 nan 8.230 nan 0.000 0.479 87 R N -0.562 119.085 120.500 -1.420 0.000 3.012 87 R HA 0.324 4.664 4.340 0.000 0.000 0.287 87 R C -1.298 174.631 176.300 -0.618 0.000 0.990 87 R CA -0.887 54.685 56.100 -0.881 0.000 0.839 87 R CB 1.188 31.253 30.300 -0.392 0.000 1.317 87 R HN -0.155 nan 8.270 nan 0.000 0.518 88 R N 1.963 122.378 120.500 -0.142 0.000 2.393 88 R HA 0.521 4.861 4.340 0.000 0.000 0.315 88 R C -0.494 175.753 176.300 -0.088 0.000 0.952 88 R CA -0.692 55.404 56.100 -0.006 0.000 0.842 88 R CB 1.005 31.391 30.300 0.143 0.000 1.163 88 R HN 0.643 nan 8.270 nan 0.000 0.450 89 I N 0.373 120.871 120.570 -0.120 0.000 2.982 89 I HA 0.655 4.825 4.170 0.000 0.000 0.312 89 I C -0.591 175.379 176.117 -0.245 0.000 1.041 89 I CA -0.809 60.365 61.300 -0.210 0.000 1.053 89 I CB 2.303 40.116 38.000 -0.311 0.000 1.248 89 I HN 0.621 nan 8.210 nan 0.000 0.471 90 S N 2.091 117.587 115.700 -0.339 0.000 2.548 90 S HA 0.720 5.190 4.470 0.000 0.000 0.286 90 S C -1.161 173.157 174.600 -0.470 0.000 1.098 90 S CA -0.608 57.386 58.200 -0.344 0.000 0.930 90 S CB 1.303 64.361 63.200 -0.236 0.000 1.070 90 S HN 0.532 nan 8.310 nan 0.000 0.480 91 F N 1.130 120.993 119.950 -0.145 0.000 2.492 91 F HA 0.718 5.245 4.527 0.000 0.000 0.327 91 F C 0.054 175.846 175.800 -0.014 0.000 1.079 91 F CA -0.932 57.035 58.000 -0.056 0.000 0.967 91 F CB 1.762 40.737 39.000 -0.042 0.000 1.169 91 F HN 0.509 nan 8.300 nan 0.000 0.472 92 I N 2.263 122.979 120.570 0.244 0.000 2.686 92 I HA 0.479 4.650 4.170 0.000 0.000 0.295 92 I C -1.669 174.544 176.117 0.160 0.000 1.114 92 I CA -0.810 60.617 61.300 0.212 0.000 1.038 92 I CB 2.402 40.519 38.000 0.195 0.000 1.238 92 I HN 0.548 nan 8.210 nan 0.000 0.420 93 D N 4.150 124.625 120.400 0.124 0.000 2.685 93 D HA 0.493 5.133 4.640 0.000 0.000 0.236 93 D C -1.451 174.880 176.300 0.052 0.000 1.233 93 D CA -0.573 53.471 54.000 0.074 0.000 0.760 93 D CB 1.780 42.612 40.800 0.053 0.000 1.410 93 D HN 0.607 nan 8.370 nan 0.000 0.439 94 A N 1.442 124.285 122.820 0.038 0.000 2.290 94 A HA 0.651 4.972 4.320 0.000 0.000 0.310 94 A C -2.459 175.133 177.584 0.014 0.000 1.202 94 A CA -1.419 50.636 52.037 0.031 0.000 0.837 94 A CB 0.419 19.449 19.000 0.050 0.000 1.139 94 A HN 0.378 nan 8.150 nan 0.000 0.509 95 P HA 0.102 nan 4.420 nan 0.000 0.262 95 P C 1.407 178.711 177.300 0.007 0.000 1.182 95 P CA 2.222 65.295 63.100 -0.045 0.000 0.761 95 P CB 0.700 32.348 31.700 -0.087 0.000 0.795 96 G N 3.794 112.600 108.800 0.010 0.000 2.690 96 G HA2 -0.377 3.583 3.960 0.000 0.000 0.362 96 G HA3 -0.377 3.583 3.960 0.000 0.000 0.362 96 G C 0.643 175.606 174.900 0.106 0.000 1.132 96 G CA 0.367 45.487 45.100 0.033 0.000 0.922 96 G HN 0.731 nan 8.290 nan 0.000 0.595 97 H N 2.330 121.409 119.070 0.016 0.000 3.001 97 H HA 0.299 4.855 4.556 0.000 0.000 0.248 97 H C 1.542 176.897 175.328 0.046 0.000 1.663 97 H CA 0.066 56.128 56.048 0.024 0.000 1.258 97 H CB -0.106 29.666 29.762 0.016 0.000 1.547 97 H HN 0.605 nan 8.280 nan 0.000 0.557 98 E N -0.237 120.071 120.200 0.180 0.000 3.549 98 E HA -0.363 3.988 4.350 0.000 0.000 0.447 98 E C 0.800 177.460 176.600 0.100 0.000 1.471 98 E CA 2.860 59.339 56.400 0.132 0.000 1.397 98 E CB -0.297 29.517 29.700 0.189 0.000 1.307 98 E HN 0.345 nan 8.360 nan 0.000 0.346 99 V N -2.193 117.778 119.914 0.095 0.000 6.241 99 V HA -0.187 3.933 4.120 0.000 0.000 0.343 99 V C -0.074 176.064 176.094 0.074 0.000 0.346 99 V CA 0.636 62.978 62.300 0.070 0.000 0.717 99 V CB -1.711 30.146 31.823 0.058 0.000 0.362 99 V HN 0.334 nan 8.190 nan 0.000 1.499 100 L N 0.698 121.981 121.223 0.100 0.000 2.672 100 L HA 0.205 4.546 4.340 0.000 0.000 0.238 100 L C 1.695 178.621 176.870 0.094 0.000 1.392 100 L CA -0.037 54.865 54.840 0.105 0.000 1.238 100 L CB -0.003 42.150 42.059 0.157 0.000 1.548 100 L HN 0.417 nan 8.230 nan 0.000 0.423 101 M N 0.259 119.905 119.600 0.076 0.000 2.206 101 M HA 0.115 4.595 4.480 0.000 0.000 0.249 101 M C 1.836 178.177 176.300 0.067 0.000 1.125 101 M CA 1.088 56.435 55.300 0.079 0.000 1.166 101 M CB -0.818 31.836 32.600 0.089 0.000 1.266 101 M HN 0.359 nan 8.290 nan 0.000 0.445 102 A N 0.053 122.901 122.820 0.047 0.000 2.500 102 A HA 0.260 4.581 4.320 0.000 0.000 0.267 102 A C 1.597 179.186 177.584 0.010 0.000 1.290 102 A CA 0.640 52.684 52.037 0.013 0.000 0.928 102 A CB -0.668 18.318 19.000 -0.024 0.000 1.066 102 A HN 0.604 nan 8.150 nan 0.000 0.516 103 T N -4.019 110.552 114.554 0.028 0.000 3.056 103 T HA 0.052 4.402 4.350 0.000 0.000 0.241 103 T C 1.883 176.603 174.700 0.033 0.000 1.006 103 T CA 0.823 62.938 62.100 0.025 0.000 1.115 103 T CB -0.481 68.406 68.868 0.032 0.000 0.939 103 T HN 0.211 nan 8.240 nan 0.000 0.462 104 M N 1.308 120.938 119.600 0.049 0.000 2.229 104 M HA 0.146 4.626 4.480 0.000 0.000 0.264 104 M C 1.875 178.198 176.300 0.039 0.000 1.063 104 M CA 1.376 56.709 55.300 0.055 0.000 1.114 104 M CB -0.554 32.097 32.600 0.084 0.000 1.387 104 M HN 0.252 nan 8.290 nan 0.000 0.420 105 L N -0.262 120.982 121.223 0.035 0.000 2.189 105 L HA -0.221 4.119 4.340 0.000 0.000 0.214 105 L C 2.341 179.222 176.870 0.017 0.000 1.097 105 L CA 1.127 55.981 54.840 0.024 0.000 0.764 105 L CB -1.080 40.991 42.059 0.019 0.000 0.900 105 L HN 0.358 nan 8.230 nan 0.000 0.436 106 S N 0.434 116.142 115.700 0.014 0.000 2.345 106 S HA -0.111 4.360 4.470 0.000 0.000 0.220 106 S C 2.172 176.778 174.600 0.010 0.000 1.031 106 S CA 1.151 59.355 58.200 0.007 0.000 0.996 106 S CB -0.792 62.407 63.200 -0.002 0.000 0.882 106 S HN 0.595 nan 8.310 nan 0.000 0.445 107 G N 1.785 110.595 108.800 0.017 0.000 2.581 107 G HA2 -0.214 3.746 3.960 0.000 0.000 0.223 107 G HA3 -0.214 3.746 3.960 0.000 0.000 0.223 107 G C 1.478 176.382 174.900 0.006 0.000 1.094 107 G CA 1.164 46.275 45.100 0.018 0.000 0.736 107 G HN 0.586 nan 8.290 nan 0.000 0.588 108 A N 1.016 123.837 122.820 0.002 0.000 1.903 108 A HA 0.079 4.399 4.320 0.000 0.000 0.219 108 A C 2.824 180.407 177.584 -0.003 0.000 1.191 108 A CA 2.810 54.840 52.037 -0.012 0.000 0.638 108 A CB -0.847 18.150 19.000 -0.005 0.000 0.823 108 A HN 0.962 nan 8.150 nan 0.000 0.451 109 A N -1.384 121.447 122.820 0.018 0.000 1.903 109 A HA 0.312 4.632 4.320 0.000 0.000 0.213 109 A C 1.119 178.704 177.584 0.002 0.000 1.185 109 A CA 0.835 52.888 52.037 0.026 0.000 0.628 109 A CB -0.285 18.738 19.000 0.037 0.000 0.830 109 A HN 0.391 nan 8.150 nan 0.000 0.446 110 L N -0.115 121.106 121.223 -0.002 0.000 2.727 110 L HA 0.472 4.812 4.340 0.000 0.000 0.237 110 L C -0.117 176.760 176.870 0.012 0.000 1.370 110 L CA 0.891 55.732 54.840 0.002 0.000 1.248 110 L CB -0.617 41.444 42.059 0.004 0.000 1.556 110 L HN 0.387 nan 8.230 nan 0.000 0.420 111 M N -0.524 119.076 119.600 0.001 0.000 2.356 111 M HA 0.154 4.634 4.480 0.000 0.000 0.215 111 M C -0.427 175.864 176.300 -0.015 0.000 0.978 111 M CA -0.164 55.135 55.300 -0.002 0.000 0.972 111 M CB 1.300 33.902 32.600 0.003 0.000 2.529 111 M HN 0.047 nan 8.290 nan 0.000 0.447 112 D N 1.664 122.051 120.400 -0.021 0.000 2.363 112 D HA 0.300 4.940 4.640 0.000 0.000 0.220 112 D C 0.836 177.126 176.300 -0.017 0.000 0.994 112 D CA 0.945 54.930 54.000 -0.024 0.000 0.890 112 D CB 0.531 41.310 40.800 -0.035 0.000 0.906 112 D HN 0.692 nan 8.370 nan 0.000 0.530 113 G N -1.276 107.518 108.800 -0.011 0.000 2.328 113 G HA2 0.607 4.567 3.960 0.000 0.000 0.295 113 G HA3 0.607 4.567 3.960 0.000 0.000 0.295 113 G C -1.792 173.122 174.900 0.022 0.000 1.413 113 G CA -0.225 44.881 45.100 0.010 0.000 0.817 113 G HN 0.203 nan 8.290 nan 0.000 0.546 114 A N -0.900 121.947 122.820 0.046 0.000 2.567 114 A HA 0.913 5.233 4.320 0.000 0.000 0.289 114 A C -1.494 176.136 177.584 0.075 0.000 1.177 114 A CA -0.677 51.397 52.037 0.061 0.000 0.694 114 A CB 1.324 20.356 19.000 0.052 0.000 1.292 114 A HN 1.094 nan 8.150 nan 0.000 0.425 115 I N 0.699 121.318 120.570 0.080 0.000 2.500 115 I HA 0.315 4.485 4.170 0.000 0.000 0.286 115 I C -1.353 174.789 176.117 0.041 0.000 1.063 115 I CA -0.454 60.887 61.300 0.068 0.000 1.062 115 I CB 1.839 39.895 38.000 0.094 0.000 1.223 115 I HN 0.527 nan 8.210 nan 0.000 0.435 116 L N 8.801 130.046 121.223 0.037 0.000 2.262 116 L HA 0.534 4.875 4.340 0.000 0.000 0.288 116 L C -0.582 176.298 176.870 0.017 0.000 1.035 116 L CA -0.266 54.593 54.840 0.032 0.000 0.820 116 L CB 1.438 43.547 42.059 0.083 0.000 1.204 116 L HN 0.424 nan 8.230 nan 0.000 0.424 117 V N 7.208 127.131 119.914 0.015 0.000 2.394 117 V HA 0.750 4.870 4.120 0.000 0.000 0.282 117 V C -0.705 175.417 176.094 0.047 0.000 1.031 117 V CA -0.190 62.121 62.300 0.018 0.000 0.881 117 V CB 1.727 33.560 31.823 0.016 0.000 0.982 117 V HN 0.698 nan 8.190 nan 0.000 0.451 118 V N 4.507 124.438 119.914 0.029 0.000 2.604 118 V HA 0.963 5.083 4.120 0.000 0.000 0.305 118 V C 0.316 176.441 176.094 0.051 0.000 1.043 118 V CA -0.390 61.939 62.300 0.048 0.000 0.888 118 V CB 1.277 33.117 31.823 0.028 0.000 0.995 118 V HN 1.550 nan 8.190 nan 0.000 0.429 119 A N 3.529 126.409 122.820 0.100 0.000 2.454 119 A HA 0.705 5.025 4.320 0.000 0.000 0.260 119 A C 1.318 178.936 177.584 0.057 0.000 1.106 119 A CA 0.160 52.251 52.037 0.091 0.000 0.780 119 A CB 0.736 19.824 19.000 0.146 0.000 1.044 119 A HN 2.050 nan 8.150 nan 0.000 0.498 120 A N 2.723 125.563 122.820 0.034 0.000 2.167 120 A HA -0.024 4.296 4.320 0.000 0.000 0.214 120 A C 1.281 178.884 177.584 0.032 0.000 1.151 120 A CA 1.096 53.145 52.037 0.020 0.000 0.735 120 A CB -0.339 18.669 19.000 0.013 0.000 0.802 120 A HN 0.927 nan 8.150 nan 0.000 0.467 121 N N -0.099 118.627 118.700 0.043 0.000 2.273 121 N HA 0.110 4.850 4.740 0.000 0.000 0.231 121 N C -0.435 175.106 175.510 0.051 0.000 1.134 121 N CA -0.036 53.039 53.050 0.042 0.000 0.856 121 N CB 0.147 38.658 38.487 0.040 0.000 1.068 121 N HN 0.492 nan 8.380 nan 0.000 0.510 122 E N 0.328 120.566 120.200 0.062 0.000 2.369 122 E HA 0.453 4.804 4.350 0.000 0.000 0.270 122 E C -2.819 173.821 176.600 0.066 0.000 0.909 122 E CA -2.183 54.259 56.400 0.069 0.000 0.775 122 E CB 2.018 31.779 29.700 0.101 0.000 1.270 122 E HN 0.050 nan 8.360 nan 0.000 0.445 123 P HA 0.033 nan 4.420 nan 0.000 0.267 123 P C -1.219 176.109 177.300 0.046 0.000 1.205 123 P CA 0.128 63.257 63.100 0.048 0.000 0.765 123 P CB 0.183 31.895 31.700 0.020 0.000 0.828 124 F N 5.747 125.646 119.950 -0.086 0.000 2.443 124 F HA 0.644 5.172 4.527 0.000 0.000 0.335 124 F C -2.330 173.386 175.800 -0.140 0.000 1.104 124 F CA -2.466 55.444 58.000 -0.149 0.000 1.013 124 F CB 1.426 40.325 39.000 -0.168 0.000 1.136 124 F HN 0.221 nan 8.300 nan 0.000 0.470 125 P HA 0.243 nan 4.420 nan 0.000 0.303 125 P C -1.367 175.586 177.300 -0.579 0.000 1.350 125 P CA -0.589 61.696 63.100 -1.358 0.000 0.880 125 P CB 1.906 32.340 31.700 -2.110 0.000 1.018 126 Q N 2.779 122.329 119.800 -0.417 0.000 2.700 126 Q HA -0.004 4.336 4.340 0.000 0.000 0.232 126 Q C -1.510 174.354 176.000 -0.227 0.000 1.110 126 Q CA -0.677 54.950 55.803 -0.293 0.000 1.026 126 Q CB -0.476 27.989 28.738 -0.455 0.000 1.311 126 Q HN 0.369 nan 8.270 nan 0.000 0.583 127 P HA -0.178 nan 4.420 nan 0.000 0.212 127 P C 1.273 178.523 177.300 -0.084 0.000 1.180 127 P CA 1.378 64.431 63.100 -0.078 0.000 0.906 127 P CB 0.060 31.738 31.700 -0.037 0.000 0.782 128 Q N -0.933 118.832 119.800 -0.058 0.000 2.173 128 Q HA -0.192 4.148 4.340 0.000 0.000 0.208 128 Q C 1.873 177.823 176.000 -0.083 0.000 0.989 128 Q CA 2.305 58.050 55.803 -0.096 0.000 0.872 128 Q CB -0.602 28.191 28.738 0.091 0.000 0.909 128 Q HN 0.203 nan 8.270 nan 0.000 0.420 129 T N -0.194 114.330 114.554 -0.050 0.000 2.737 129 T HA -0.179 4.171 4.350 0.000 0.000 0.265 129 T C 1.616 176.325 174.700 0.015 0.000 1.038 129 T CA 1.437 63.538 62.100 0.003 0.000 1.144 129 T CB -0.247 68.494 68.868 -0.212 0.000 0.866 129 T HN 0.277 nan 8.240 nan 0.000 0.434 130 R N 1.662 122.109 120.500 -0.089 0.000 2.094 130 R HA -0.168 4.172 4.340 0.000 0.000 0.239 130 R C 2.427 178.856 176.300 0.214 0.000 1.137 130 R CA 2.244 58.367 56.100 0.038 0.000 0.943 130 R CB -0.331 29.980 30.300 0.018 0.000 0.850 130 R HN 0.708 nan 8.270 nan 0.000 0.433 131 E N -1.468 118.797 120.200 0.108 0.000 2.107 131 E HA -0.230 4.120 4.350 0.000 0.000 0.191 131 E C 1.621 178.324 176.600 0.172 0.000 0.982 131 E CA 1.040 57.508 56.400 0.114 0.000 0.809 131 E CB -0.481 29.216 29.700 -0.004 0.000 0.756 131 E HN 0.485 nan 8.360 nan 0.000 0.459 132 H N 0.068 119.234 119.070 0.160 0.000 2.352 132 H HA -0.137 4.419 4.556 0.000 0.000 0.299 132 H C 1.832 177.289 175.328 0.215 0.000 1.097 132 H CA 1.595 57.737 56.048 0.156 0.000 1.311 132 H CB -0.549 29.295 29.762 0.136 0.000 1.377 132 H HN 0.294 nan 8.280 nan 0.000 0.504 133 F N 0.670 120.778 119.950 0.264 0.000 2.095 133 F HA -0.201 4.326 4.527 0.000 0.000 0.298 133 F C 2.585 178.639 175.800 0.424 0.000 1.104 133 F CA 1.087 59.250 58.000 0.272 0.000 1.232 133 F CB -0.689 38.425 39.000 0.190 0.000 0.987 133 F HN -0.103 nan 8.300 nan 0.000 0.475 134 V N 0.259 120.416 119.914 0.406 0.000 2.407 134 V HA -0.263 3.858 4.120 0.000 0.000 0.248 134 V C 2.558 178.769 176.094 0.195 0.000 1.055 134 V CA 1.800 64.307 62.300 0.345 0.000 1.049 134 V CB -0.921 31.083 31.823 0.301 0.000 0.662 134 V HN 0.496 nan 8.190 nan 0.000 0.455 135 A N -0.723 122.196 122.820 0.166 0.000 2.015 135 A HA -0.107 4.213 4.320 0.000 0.000 0.219 135 A C 1.875 179.470 177.584 0.018 0.000 1.163 135 A CA 1.444 53.541 52.037 0.100 0.000 0.646 135 A CB -0.404 18.681 19.000 0.143 0.000 0.806 135 A HN 0.481 nan 8.150 nan 0.000 0.448 136 L N -0.565 120.674 121.223 0.026 0.000 2.478 136 L HA 0.087 4.428 4.340 0.000 0.000 0.223 136 L C 2.410 179.039 176.870 -0.403 0.000 1.140 136 L CA 1.267 56.066 54.840 -0.069 0.000 0.842 136 L CB -0.920 41.182 42.059 0.072 0.000 0.953 136 L HN 0.376 nan 8.230 nan 0.000 0.452 137 G N -0.850 107.592 108.800 -0.597 0.000 2.441 137 G HA2 -0.045 3.915 3.960 0.000 0.000 0.212 137 G HA3 -0.045 3.915 3.960 0.000 0.000 0.212 137 G C 1.644 176.130 174.900 -0.690 0.000 1.164 137 G CA 0.145 44.464 45.100 -1.301 0.000 0.811 137 G HN 0.284 nan 8.290 nan 0.000 0.535 138 I N 0.474 120.844 120.570 -0.332 0.000 2.226 138 I HA -0.114 4.057 4.170 0.000 0.000 0.245 138 I C 2.410 178.363 176.117 -0.272 0.000 1.100 138 I CA 0.754 61.939 61.300 -0.192 0.000 1.374 138 I CB -0.156 37.854 38.000 0.017 0.000 1.057 138 I HN 0.050 nan 8.210 nan 0.000 0.413 139 I N 1.048 121.484 120.570 -0.223 0.000 2.756 139 I HA -0.110 4.060 4.170 0.000 0.000 0.262 139 I C 1.682 177.621 176.117 -0.296 0.000 1.225 139 I CA 0.968 62.157 61.300 -0.185 0.000 1.472 139 I CB -0.900 37.033 38.000 -0.111 0.000 1.094 139 I HN 0.406 nan 8.210 nan 0.000 0.454 140 G N 0.605 109.128 108.800 -0.462 0.000 2.221 140 G HA2 -0.233 3.727 3.960 0.000 0.000 0.265 140 G HA3 -0.233 3.727 3.960 0.000 0.000 0.265 140 G C 0.478 175.156 174.900 -0.368 0.000 1.041 140 G CA 0.341 45.119 45.100 -0.536 0.000 0.807 140 G HN 0.276 nan 8.290 nan 0.000 0.502 141 V N 0.753 120.486 119.914 -0.302 0.000 2.637 141 V HA 0.426 4.546 4.120 0.000 0.000 0.296 141 V C 1.548 177.546 176.094 -0.160 0.000 1.046 141 V CA 0.639 62.837 62.300 -0.171 0.000 1.066 141 V CB 0.798 32.568 31.823 -0.088 0.000 0.968 141 V HN 0.672 nan 8.190 nan 0.000 0.483 142 K N 5.501 125.847 120.400 -0.090 0.000 2.780 142 K HA 0.182 4.502 4.320 0.000 0.000 0.169 142 K C 0.310 176.936 176.600 0.043 0.000 1.121 142 K CA -0.409 55.857 56.287 -0.035 0.000 1.272 142 K CB -0.402 32.082 32.500 -0.026 0.000 1.772 142 K HN 0.587 nan 8.250 nan 0.000 0.475 143 N N 1.922 120.656 118.700 0.056 0.000 2.047 143 N HA -0.102 4.638 4.740 0.000 0.000 0.292 143 N C -0.644 174.922 175.510 0.094 0.000 1.356 143 N CA 0.551 53.658 53.050 0.095 0.000 0.836 143 N CB -0.144 38.391 38.487 0.081 0.000 1.113 143 N HN 0.317 nan 8.380 nan 0.000 0.495 144 L N 3.759 125.046 121.223 0.107 0.000 2.401 144 L HA 0.652 4.993 4.340 0.000 0.000 0.266 144 L C -1.022 175.850 176.870 0.004 0.000 0.991 144 L CA -0.646 54.244 54.840 0.083 0.000 0.818 144 L CB 1.744 43.888 42.059 0.142 0.000 1.321 144 L HN 0.401 nan 8.230 nan 0.000 0.413 145 I N 5.031 125.596 120.570 -0.009 0.000 2.582 145 I HA 0.452 4.623 4.170 0.000 0.000 0.292 145 I C -0.805 175.283 176.117 -0.049 0.000 1.066 145 I CA -0.581 60.669 61.300 -0.084 0.000 1.053 145 I CB 2.165 40.133 38.000 -0.055 0.000 1.241 145 I HN 0.493 nan 8.210 nan 0.000 0.421 146 I N 5.478 125.992 120.570 -0.093 0.000 2.437 146 I HA 0.456 4.627 4.170 0.000 0.000 0.298 146 I C -0.673 175.394 176.117 -0.084 0.000 0.984 146 I CA -0.937 60.313 61.300 -0.083 0.000 1.214 146 I CB 2.112 40.026 38.000 -0.144 0.000 1.365 146 I HN 0.156 nan 8.210 nan 0.000 0.469 147 V N 5.408 125.287 119.914 -0.059 0.000 2.409 147 V HA 0.211 4.331 4.120 0.000 0.000 0.290 147 V C -0.255 175.813 176.094 -0.044 0.000 1.017 147 V CA -0.686 61.588 62.300 -0.043 0.000 0.841 147 V CB 1.444 33.256 31.823 -0.019 0.000 1.003 147 V HN 0.684 nan 8.190 nan 0.000 0.426 148 Q N 3.512 123.283 119.800 -0.048 0.000 2.431 148 Q HA 0.173 4.514 4.340 0.000 0.000 0.234 148 Q C 0.003 175.998 176.000 -0.007 0.000 1.203 148 Q CA -0.107 55.673 55.803 -0.040 0.000 0.902 148 Q CB 0.373 29.093 28.738 -0.031 0.000 1.455 148 Q HN 0.663 nan 8.270 nan 0.000 0.515 149 N N 1.940 120.641 118.700 0.002 0.000 2.483 149 N HA 0.024 4.764 4.740 0.000 0.000 0.269 149 N C -0.654 174.870 175.510 0.022 0.000 1.209 149 N CA 0.100 53.158 53.050 0.012 0.000 0.969 149 N CB 0.524 39.020 38.487 0.015 0.000 1.173 149 N HN 0.391 nan 8.380 nan 0.000 0.475 150 K N -0.125 120.293 120.400 0.028 0.000 3.161 150 K HA -0.124 4.196 4.320 0.000 0.000 0.270 150 K C 0.695 177.319 176.600 0.040 0.000 1.115 150 K CA 0.684 56.996 56.287 0.042 0.000 0.789 150 K CB -2.320 30.205 32.500 0.041 0.000 1.256 150 K HN 0.425 nan 8.250 nan 0.000 0.492 151 V N -2.058 117.878 119.914 0.036 0.000 3.129 151 V HA -0.120 4.000 4.120 0.000 0.000 0.259 151 V C 1.848 177.959 176.094 0.029 0.000 1.116 151 V CA 1.467 63.784 62.300 0.028 0.000 1.127 151 V CB -0.134 31.702 31.823 0.023 0.000 0.742 151 V HN 0.409 nan 8.190 nan 0.000 0.474 152 D N 1.995 122.420 120.400 0.042 0.000 2.363 152 D HA -0.077 4.563 4.640 0.000 0.000 0.226 152 D C 1.682 177.999 176.300 0.027 0.000 1.020 152 D CA 1.379 55.400 54.000 0.034 0.000 0.892 152 D CB 0.383 41.213 40.800 0.050 0.000 0.900 152 D HN 0.626 nan 8.370 nan 0.000 0.531 153 V N -1.541 118.396 119.914 0.038 0.000 3.578 153 V HA 0.256 4.376 4.120 0.000 0.000 0.290 153 V C 0.517 176.625 176.094 0.023 0.000 1.376 153 V CA 0.135 62.454 62.300 0.032 0.000 1.083 153 V CB -0.161 31.691 31.823 0.048 0.000 0.911 153 V HN 0.123 nan 8.190 nan 0.000 0.433 154 V N -2.937 116.988 119.914 0.020 0.000 3.078 154 V HA 0.748 4.868 4.120 0.000 0.000 0.311 154 V C 0.007 176.107 176.094 0.009 0.000 1.138 154 V CA -0.128 62.181 62.300 0.015 0.000 1.007 154 V CB 1.359 33.193 31.823 0.018 0.000 1.045 154 V HN 0.278 nan 8.190 nan 0.000 0.432 155 S N 1.319 117.023 115.700 0.006 0.000 2.560 155 S HA 0.118 4.589 4.470 0.000 0.000 0.284 155 S C 1.182 175.781 174.600 -0.001 0.000 1.327 155 S CA 0.548 58.749 58.200 0.001 0.000 1.055 155 S CB 0.532 63.732 63.200 0.001 0.000 0.868 155 S HN 1.115 nan 8.310 nan 0.000 0.506 156 K N 2.803 123.199 120.400 -0.007 0.000 2.160 156 K HA -0.206 4.114 4.320 0.000 0.000 0.206 156 K C 1.856 178.446 176.600 -0.018 0.000 1.047 156 K CA 2.101 58.380 56.287 -0.014 0.000 0.930 156 K CB -0.217 32.271 32.500 -0.020 0.000 0.720 156 K HN 0.903 nan 8.250 nan 0.000 0.450 157 E N 0.090 120.283 120.200 -0.012 0.000 2.076 157 E HA -0.213 4.138 4.350 0.000 0.000 0.190 157 E C 1.957 178.556 176.600 -0.002 0.000 0.979 157 E CA 0.908 57.301 56.400 -0.011 0.000 0.807 157 E CB -0.313 29.382 29.700 -0.008 0.000 0.761 157 E HN 0.446 nan 8.360 nan 0.000 0.454 158 E N 1.110 121.312 120.200 0.003 0.000 2.110 158 E HA -0.173 4.177 4.350 0.000 0.000 0.193 158 E C 2.054 178.661 176.600 0.012 0.000 0.988 158 E CA 1.060 57.466 56.400 0.010 0.000 0.804 158 E CB -0.098 29.609 29.700 0.012 0.000 0.745 158 E HN 0.363 nan 8.360 nan 0.000 0.458 159 A N 1.091 123.917 122.820 0.009 0.000 1.873 159 A HA -0.137 4.184 4.320 0.000 0.000 0.215 159 A C 2.118 179.718 177.584 0.027 0.000 1.186 159 A CA 1.169 53.214 52.037 0.014 0.000 0.616 159 A CB -0.604 18.402 19.000 0.009 0.000 0.823 159 A HN 0.380 nan 8.150 nan 0.000 0.442 160 L N -0.186 121.040 121.223 0.004 0.000 2.093 160 L HA -0.069 4.271 4.340 0.000 0.000 0.208 160 L C 2.553 179.447 176.870 0.041 0.000 1.085 160 L CA 2.451 57.284 54.840 -0.012 0.000 0.755 160 L CB -0.763 41.257 42.059 -0.065 0.000 0.904 160 L HN 0.357 nan 8.230 nan 0.000 0.435 161 S N -1.031 114.685 115.700 0.027 0.000 2.353 161 S HA -0.315 4.155 4.470 0.000 0.000 0.222 161 S C 2.095 176.719 174.600 0.040 0.000 1.035 161 S CA 1.817 60.037 58.200 0.033 0.000 1.025 161 S CB -0.413 62.801 63.200 0.023 0.000 0.902 161 S HN 0.704 nan 8.310 nan 0.000 0.440 162 Q N -1.029 118.784 119.800 0.022 0.000 2.084 162 Q HA -0.212 4.128 4.340 0.000 0.000 0.202 162 Q C 1.940 177.877 176.000 -0.104 0.000 0.978 162 Q CA 1.907 57.689 55.803 -0.035 0.000 0.844 162 Q CB -0.446 28.259 28.738 -0.054 0.000 0.898 162 Q HN 0.808 nan 8.270 nan 0.000 0.426 163 Y N 1.199 121.401 120.300 -0.163 0.000 2.102 163 Y HA -0.364 4.186 4.550 0.000 0.000 0.280 163 Y C 2.228 178.028 175.900 -0.168 0.000 1.178 163 Y CA 2.195 60.188 58.100 -0.180 0.000 1.146 163 Y CB -0.039 38.353 38.460 -0.113 0.000 0.968 163 Y HN 0.110 nan 8.280 nan 0.000 0.504 164 R N 0.343 120.945 120.500 0.170 0.000 2.083 164 R HA -0.222 4.118 4.340 0.000 0.000 0.237 164 R C 2.129 178.428 176.300 -0.001 0.000 1.137 164 R CA 2.130 58.292 56.100 0.104 0.000 0.951 164 R CB -1.109 29.246 30.300 0.092 0.000 0.851 164 R HN 0.588 nan 8.270 nan 0.000 0.434 165 Q N 0.258 120.050 119.800 -0.013 0.000 2.096 165 Q HA -0.082 4.259 4.340 0.000 0.000 0.204 165 Q C 2.306 178.322 176.000 0.027 0.000 0.982 165 Q CA 1.385 57.227 55.803 0.065 0.000 0.850 165 Q CB -0.247 28.596 28.738 0.175 0.000 0.901 165 Q HN 0.366 nan 8.270 nan 0.000 0.422 166 I N 0.574 120.901 120.570 -0.405 0.000 2.142 166 I HA -0.267 3.904 4.170 0.000 0.000 0.240 166 I C 2.309 178.278 176.117 -0.246 0.000 1.078 166 I CA 0.936 61.847 61.300 -0.648 0.000 1.343 166 I CB -0.345 37.054 38.000 -1.001 0.000 1.046 166 I HN 0.065 nan 8.210 nan 0.000 0.405 167 K N 0.627 120.854 120.400 -0.288 0.000 2.209 167 K HA -0.207 4.113 4.320 0.000 0.000 0.204 167 K C 1.936 178.512 176.600 -0.040 0.000 1.048 167 K CA 1.242 57.427 56.287 -0.170 0.000 0.940 167 K CB -0.257 32.158 32.500 -0.142 0.000 0.729 167 K HN 0.229 nan 8.250 nan 0.000 0.451 168 Q N -0.841 118.965 119.800 0.009 0.000 2.365 168 Q HA 0.036 4.376 4.340 0.000 0.000 0.203 168 Q C 0.946 176.998 176.000 0.088 0.000 0.929 168 Q CA 0.277 56.106 55.803 0.044 0.000 0.948 168 Q CB -0.005 28.766 28.738 0.055 0.000 1.043 168 Q HN 0.203 nan 8.270 nan 0.000 0.505 169 F N -1.703 118.203 119.950 -0.072 0.000 2.619 169 F HA 0.140 4.667 4.527 0.000 0.000 0.281 169 F C 1.863 177.522 175.800 -0.234 0.000 1.065 169 F CA 1.281 59.208 58.000 -0.122 0.000 1.304 169 F CB -0.148 38.845 39.000 -0.011 0.000 1.059 169 F HN 0.126 nan 8.300 nan 0.000 0.648 170 T N -1.336 113.270 114.554 0.087 0.000 3.072 170 T HA -0.096 4.254 4.350 0.000 0.000 0.266 170 T C 1.107 175.766 174.700 -0.069 0.000 1.127 170 T CA 0.166 62.242 62.100 -0.038 0.000 1.107 170 T CB -0.580 68.260 68.868 -0.046 0.000 0.910 170 T HN 0.136 nan 8.240 nan 0.000 0.513 171 K N 1.431 121.795 120.400 -0.059 0.000 2.382 171 K HA 0.313 4.633 4.320 0.000 0.000 0.286 171 K C 1.245 177.800 176.600 -0.074 0.000 1.062 171 K CA 0.760 57.017 56.287 -0.050 0.000 1.000 171 K CB -0.530 31.949 32.500 -0.035 0.000 0.954 171 K HN 0.473 nan 8.250 nan 0.000 0.470 172 G N 2.533 111.308 108.800 -0.041 0.000 2.339 172 G HA2 -0.283 3.677 3.960 0.000 0.000 0.209 172 G HA3 -0.283 3.677 3.960 0.000 0.000 0.209 172 G C 0.297 175.195 174.900 -0.002 0.000 1.015 172 G CA 0.152 45.234 45.100 -0.031 0.000 0.635 172 G HN 0.771 nan 8.290 nan 0.000 0.499 173 T N -1.662 112.875 114.554 -0.029 0.000 2.852 173 T HA 0.450 4.801 4.350 0.000 0.000 0.281 173 T C 1.393 176.135 174.700 0.069 0.000 0.993 173 T CA 0.556 62.670 62.100 0.023 0.000 0.933 173 T CB 0.865 69.689 68.868 -0.073 0.000 1.187 173 T HN 1.229 nan 8.240 nan 0.000 0.559 174 W N 0.418 121.797 121.300 0.132 0.000 2.350 174 W HA 0.152 4.812 4.660 -0.000 0.000 0.289 174 W C 1.719 178.300 176.519 0.103 0.000 1.215 174 W CA 0.791 58.183 57.345 0.079 0.000 1.236 174 W CB -1.010 28.460 29.460 0.017 0.000 1.130 174 W HN 0.651 nan 8.180 nan 0.000 0.541 175 A N 0.961 123.530 122.820 -0.419 0.000 2.310 175 A HA 0.072 4.392 4.320 0.000 0.000 0.230 175 A C 1.657 179.217 177.584 -0.040 0.000 1.294 175 A CA 0.878 52.813 52.037 -0.170 0.000 0.898 175 A CB -1.051 17.838 19.000 -0.185 0.000 0.917 175 A HN 0.367 nan 8.150 nan 0.000 0.491 176 E N 1.470 121.667 120.200 -0.004 0.000 2.164 176 E HA -0.240 4.110 4.350 0.000 0.000 0.206 176 E C 0.877 177.480 176.600 0.005 0.000 1.032 176 E CA 2.282 58.686 56.400 0.007 0.000 0.832 176 E CB -0.247 29.476 29.700 0.039 0.000 0.742 176 E HN 0.806 nan 8.360 nan 0.000 0.460 177 N N -0.522 118.194 118.700 0.026 0.000 2.351 177 N HA 0.136 4.876 4.740 0.000 0.000 0.254 177 N C -1.038 174.463 175.510 -0.015 0.000 1.241 177 N CA 0.046 53.108 53.050 0.021 0.000 0.883 177 N CB 1.484 40.011 38.487 0.067 0.000 1.202 177 N HN -0.014 nan 8.380 nan 0.000 0.512 178 V N 0.219 120.106 119.914 -0.045 0.000 2.599 178 V HA 0.261 4.382 4.120 0.000 0.000 0.300 178 V C -1.966 173.988 176.094 -0.233 0.000 1.034 178 V CA -1.552 60.679 62.300 -0.115 0.000 1.115 178 V CB 0.090 31.885 31.823 -0.046 0.000 0.934 178 V HN 0.060 nan 8.190 nan 0.000 0.485 179 P HA 0.408 nan 4.420 nan 0.000 0.274 179 P C -0.651 176.484 177.300 -0.274 0.000 1.231 179 P CA -0.260 62.592 63.100 -0.412 0.000 0.790 179 P CB 1.114 32.330 31.700 -0.807 0.000 0.951 180 I N 3.051 123.505 120.570 -0.194 0.000 2.382 180 I HA 0.374 4.544 4.170 0.000 0.000 0.285 180 I C 0.256 176.358 176.117 -0.025 0.000 1.007 180 I CA -0.659 60.531 61.300 -0.182 0.000 1.142 180 I CB 1.062 38.807 38.000 -0.425 0.000 1.289 180 I HN 0.109 nan 8.210 nan 0.000 0.453 181 I N 8.602 129.150 120.570 -0.037 0.000 2.362 181 I HA 0.361 4.531 4.170 0.000 0.000 0.289 181 I C -2.330 173.794 176.117 0.010 0.000 0.994 181 I CA -1.949 59.356 61.300 0.008 0.000 1.158 181 I CB 1.960 39.958 38.000 -0.002 0.000 1.315 181 I HN 0.257 nan 8.210 nan 0.000 0.451 182 P HA 0.314 nan 4.420 nan 0.000 0.292 182 P C -0.819 176.493 177.300 0.020 0.000 1.287 182 P CA -0.164 62.951 63.100 0.026 0.000 0.800 182 P CB 1.886 33.610 31.700 0.040 0.000 0.945 183 V N -0.242 119.681 119.914 0.016 0.000 3.203 183 V HA 0.799 4.919 4.120 0.000 0.000 0.305 183 V C -0.990 175.118 176.094 0.023 0.000 1.361 183 V CA -1.060 61.251 62.300 0.018 0.000 1.066 183 V CB 1.665 33.494 31.823 0.009 0.000 1.085 183 V HN 0.520 nan 8.190 nan 0.000 0.456 184 S N -0.373 115.343 115.700 0.028 0.000 2.789 184 S HA 0.736 5.206 4.470 0.000 0.000 0.286 184 S C 0.624 175.229 174.600 0.009 0.000 1.153 184 S CA 0.199 58.421 58.200 0.037 0.000 1.084 184 S CB 1.082 64.333 63.200 0.086 0.000 1.036 184 S HN 1.793 nan 8.310 nan 0.000 0.484 185 A N 5.005 127.815 122.820 -0.017 0.000 1.968 185 A HA 0.138 4.459 4.320 0.000 0.000 0.217 185 A C 1.836 179.375 177.584 -0.074 0.000 1.169 185 A CA 0.700 52.717 52.037 -0.034 0.000 0.638 185 A CB -0.472 18.513 19.000 -0.026 0.000 0.812 185 A HN 0.785 nan 8.150 nan 0.000 0.446 186 L N -1.218 119.916 121.223 -0.147 0.000 2.023 186 L HA -0.129 4.211 4.340 0.000 0.000 0.205 186 L C 1.810 178.452 176.870 -0.380 0.000 1.073 186 L CA 1.649 56.298 54.840 -0.318 0.000 0.745 186 L CB -0.248 41.504 42.059 -0.511 0.000 0.900 186 L HN 0.605 nan 8.230 nan 0.000 0.435 187 H N -0.501 118.569 119.070 -0.001 0.000 2.517 187 H HA 0.172 4.728 4.556 0.000 0.000 0.282 187 H C -0.340 174.988 175.328 -0.000 0.000 1.023 187 H CA -0.342 55.704 56.048 -0.003 0.000 1.169 187 H CB 0.163 29.924 29.762 -0.001 0.000 1.454 187 H HN 0.093 nan 8.280 nan 0.000 0.556 188 K N 1.304 121.736 120.400 0.052 0.000 4.387 188 K HA -0.142 4.178 4.320 0.000 0.000 0.290 188 K C -1.059 175.572 176.600 0.052 0.000 0.936 188 K CA 0.159 56.470 56.287 0.039 0.000 0.890 188 K CB -1.012 31.506 32.500 0.030 0.000 1.617 188 K HN 0.352 nan 8.250 nan 0.000 0.437 189 I N 2.040 122.640 120.570 0.051 0.000 2.362 189 I HA 0.132 4.302 4.170 0.000 0.000 0.289 189 I C 1.314 177.452 176.117 0.035 0.000 0.994 189 I CA -0.026 61.301 61.300 0.046 0.000 1.158 189 I CB 1.239 39.270 38.000 0.053 0.000 1.315 189 I HN 0.653 nan 8.210 nan 0.000 0.451 190 N N 4.512 123.232 118.700 0.034 0.000 2.741 190 N HA -0.155 4.585 4.740 0.000 0.000 0.250 190 N C 0.863 176.391 175.510 0.030 0.000 1.115 190 N CA -0.034 53.036 53.050 0.033 0.000 0.724 190 N CB -0.069 38.434 38.487 0.028 0.000 1.090 190 N HN 0.439 nan 8.380 nan 0.000 0.558 191 I N 0.498 121.087 120.570 0.031 0.000 2.756 191 I HA -0.144 4.027 4.170 0.000 0.000 0.262 191 I C 1.896 178.031 176.117 0.031 0.000 1.225 191 I CA 1.087 62.402 61.300 0.025 0.000 1.472 191 I CB -0.789 37.225 38.000 0.023 0.000 1.094 191 I HN 0.260 nan 8.210 nan 0.000 0.454 192 D N 0.627 121.056 120.400 0.049 0.000 2.123 192 D HA -0.091 4.549 4.640 0.000 0.000 0.200 192 D C 2.214 178.526 176.300 0.020 0.000 0.976 192 D CA 1.096 55.138 54.000 0.071 0.000 0.831 192 D CB 0.131 41.003 40.800 0.120 0.000 0.974 192 D HN 0.189 nan 8.370 nan 0.000 0.469 193 S N 0.877 116.593 115.700 0.027 0.000 2.399 193 S HA -0.077 4.394 4.470 0.000 0.000 0.231 193 S C 1.874 176.459 174.600 -0.025 0.000 1.022 193 S CA 0.222 58.428 58.200 0.010 0.000 0.983 193 S CB -0.071 63.150 63.200 0.034 0.000 0.803 193 S HN 0.266 nan 8.310 nan 0.000 0.480 194 L N 1.157 122.370 121.223 -0.016 0.000 2.109 194 L HA 0.036 4.376 4.340 0.000 0.000 0.207 194 L C 1.899 178.745 176.870 -0.040 0.000 1.086 194 L CA 1.514 56.348 54.840 -0.010 0.000 0.760 194 L CB -0.524 41.537 42.059 0.004 0.000 0.910 194 L HN 0.350 nan 8.230 nan 0.000 0.437 195 I N -0.149 120.370 120.570 -0.085 0.000 2.315 195 I HA -0.290 3.880 4.170 0.000 0.000 0.248 195 I C 2.464 178.338 176.117 -0.405 0.000 1.117 195 I CA 1.085 62.295 61.300 -0.149 0.000 1.404 195 I CB -0.154 37.791 38.000 -0.093 0.000 1.071 195 I HN 0.364 nan 8.210 nan 0.000 0.419 196 E N 1.165 121.004 120.200 -0.602 0.000 2.150 196 E HA -0.165 4.185 4.350 0.000 0.000 0.193 196 E C 2.230 178.677 176.600 -0.254 0.000 0.985 196 E CA 1.198 57.118 56.400 -0.799 0.000 0.814 196 E CB -0.086 29.308 29.700 -0.510 0.000 0.752 196 E HN 0.488 nan 8.360 nan 0.000 0.466 197 G N 1.297 110.047 108.800 -0.083 0.000 2.402 197 G HA2 -0.204 3.756 3.960 0.000 0.000 0.216 197 G HA3 -0.204 3.756 3.960 0.000 0.000 0.216 197 G C 1.589 176.571 174.900 0.137 0.000 1.162 197 G CA 0.572 45.743 45.100 0.120 0.000 0.777 197 G HN 0.237 nan 8.290 nan 0.000 0.539 198 I N 0.499 121.091 120.570 0.037 0.000 2.361 198 I HA -0.102 4.069 4.170 0.000 0.000 0.251 198 I C 2.657 178.769 176.117 -0.008 0.000 1.133 198 I CA 0.809 62.133 61.300 0.040 0.000 1.413 198 I CB -0.020 38.002 38.000 0.038 0.000 1.073 198 I HN 0.112 nan 8.210 nan 0.000 0.424 199 E N 0.721 120.878 120.200 -0.070 0.000 2.107 199 E HA -0.168 4.182 4.350 0.000 0.000 0.191 199 E C 1.978 178.536 176.600 -0.071 0.000 0.982 199 E CA 1.123 57.475 56.400 -0.079 0.000 0.809 199 E CB -0.001 29.640 29.700 -0.099 0.000 0.756 199 E HN 0.580 nan 8.360 nan 0.000 0.459 200 E N -0.860 119.285 120.200 -0.091 0.000 2.140 200 E HA -0.061 4.289 4.350 0.000 0.000 0.191 200 E C 1.442 177.844 176.600 -0.330 0.000 0.973 200 E CA 0.484 56.748 56.400 -0.226 0.000 0.829 200 E CB 0.064 29.567 29.700 -0.328 0.000 0.781 200 E HN 0.268 nan 8.360 nan 0.000 0.466 201 Y N -0.294 119.997 120.300 -0.014 0.000 2.497 201 Y HA 0.250 4.800 4.550 0.000 0.000 0.265 201 Y C 1.010 176.908 175.900 -0.003 0.000 1.111 201 Y CA 0.266 58.365 58.100 -0.000 0.000 1.288 201 Y CB 0.814 39.279 38.460 0.009 0.000 1.082 201 Y HN -0.114 nan 8.280 nan 0.000 0.536 202 I N 0.880 121.512 120.570 0.103 0.000 2.934 202 I HA 0.160 4.330 4.170 0.000 0.000 0.312 202 I C -0.417 175.695 176.117 -0.009 0.000 1.342 202 I CA -0.575 60.752 61.300 0.045 0.000 0.946 202 I CB 0.068 38.085 38.000 0.029 0.000 2.034 202 I HN -0.205 nan 8.210 nan 0.000 0.604 203 K N 1.689 122.080 120.400 -0.014 0.000 2.319 203 K HA 0.241 4.561 4.320 0.000 0.000 0.265 203 K C 0.301 176.881 176.600 -0.034 0.000 1.000 203 K CA -0.047 56.219 56.287 -0.035 0.000 0.943 203 K CB 0.756 33.237 32.500 -0.032 0.000 0.950 203 K HN 0.182 nan 8.250 nan 0.000 0.485 204 T N 4.917 119.442 114.554 -0.048 0.000 2.834 204 T HA 0.125 4.475 4.350 0.000 0.000 0.298 204 T C -1.767 172.921 174.700 -0.020 0.000 0.966 204 T CA -0.942 61.129 62.100 -0.049 0.000 1.141 204 T CB 0.370 69.198 68.868 -0.067 0.000 0.905 204 T HN 0.394 nan 8.240 nan 0.000 0.535 205 P HA 0.080 nan 4.420 nan 0.000 0.272 205 P C -0.550 176.773 177.300 0.038 0.000 1.230 205 P CA -0.637 62.475 63.100 0.020 0.000 0.788 205 P CB 0.496 32.200 31.700 0.008 0.000 0.949 206 Y N 2.658 122.942 120.300 -0.026 0.000 2.610 206 Y HA 0.063 4.614 4.550 0.001 0.000 0.332 206 Y C 0.385 176.272 175.900 -0.023 0.000 1.201 206 Y CA 0.320 58.405 58.100 -0.025 0.000 1.465 206 Y CB 0.434 38.882 38.460 -0.020 0.000 1.283 206 Y HN 0.240 nan 8.280 nan 0.000 0.563 207 R N 4.882 124.884 120.500 -0.831 0.000 2.561 207 R HA 0.208 4.548 4.340 0.000 0.000 0.297 207 R C -1.519 174.230 176.300 -0.918 0.000 0.969 207 R CA -1.002 54.682 56.100 -0.693 0.000 0.879 207 R CB 1.537 31.639 30.300 -0.330 0.000 1.178 207 R HN 0.605 nan 8.270 nan 0.000 0.445 208 D N 3.942 123.971 120.400 -0.617 0.000 2.467 208 D HA 0.100 4.740 4.640 0.000 0.000 0.220 208 D C 0.515 176.701 176.300 -0.190 0.000 1.103 208 D CA -0.540 53.258 54.000 -0.337 0.000 0.886 208 D CB 1.042 41.761 40.800 -0.136 0.000 1.025 208 D HN 0.327 nan 8.370 nan 0.000 0.514 209 L N 2.790 123.916 121.223 -0.162 0.000 2.642 209 L HA -0.075 4.265 4.340 0.000 0.000 0.236 209 L C 2.042 178.852 176.870 -0.100 0.000 1.169 209 L CA 0.882 55.648 54.840 -0.123 0.000 0.851 209 L CB -0.489 41.508 42.059 -0.102 0.000 0.968 209 L HN 0.386 nan 8.230 nan 0.000 0.453 210 S N -3.719 111.933 115.700 -0.079 0.000 2.540 210 S HA 0.115 4.585 4.470 0.000 0.000 0.222 210 S C 0.892 175.455 174.600 -0.062 0.000 1.008 210 S CA -0.477 57.686 58.200 -0.063 0.000 0.939 210 S CB -0.038 63.143 63.200 -0.033 0.000 0.865 210 S HN 0.379 nan 8.310 nan 0.000 0.499 211 Q N 2.112 121.874 119.800 -0.064 0.000 2.432 211 Q HA 0.121 4.462 4.340 0.000 0.000 0.264 211 Q C -0.122 175.836 176.000 -0.072 0.000 1.035 211 Q CA 0.083 55.859 55.803 -0.045 0.000 0.908 211 Q CB 0.474 29.190 28.738 -0.036 0.000 1.280 211 Q HN 0.310 nan 8.270 nan 0.000 0.455 212 K N 4.177 124.554 120.400 -0.040 0.000 2.437 212 K HA -0.003 4.317 4.320 0.000 0.000 0.277 212 K C -2.204 174.326 176.600 -0.116 0.000 1.073 212 K CA -0.969 55.285 56.287 -0.056 0.000 1.105 212 K CB 0.270 32.778 32.500 0.013 0.000 0.881 212 K HN 0.348 nan 8.250 nan 0.000 0.475 213 P HA 0.020 nan 4.420 nan 0.000 0.271 213 P C -0.928 176.272 177.300 -0.167 0.000 1.220 213 P CA -0.160 62.647 63.100 -0.488 0.000 0.768 213 P CB 0.937 31.913 31.700 -1.208 0.000 0.848 214 V N 4.739 124.675 119.914 0.037 0.000 2.841 214 V HA 0.562 4.682 4.120 0.000 0.000 0.310 214 V C -0.054 176.092 176.094 0.088 0.000 1.090 214 V CA -0.663 61.666 62.300 0.049 0.000 0.930 214 V CB 2.376 33.985 31.823 -0.357 0.000 1.014 214 V HN 0.614 nan 8.190 nan 0.000 0.425 215 M N 4.621 124.164 119.600 -0.095 0.000 2.386 215 M HA 0.597 5.077 4.480 0.000 0.000 0.293 215 M C -2.299 173.813 176.300 -0.314 0.000 1.120 215 M CA -0.705 54.456 55.300 -0.230 0.000 0.909 215 M CB 1.910 34.249 32.600 -0.434 0.000 1.661 215 M HN 0.444 nan 8.290 nan 0.000 0.452 216 L N 4.932 125.978 121.223 -0.295 0.000 2.275 216 L HA 0.444 4.784 4.340 0.000 0.000 0.288 216 L C -0.269 176.470 176.870 -0.220 0.000 1.046 216 L CA -0.465 54.213 54.840 -0.271 0.000 0.805 216 L CB 1.028 42.945 42.059 -0.237 0.000 1.193 216 L HN 0.597 nan 8.230 nan 0.000 0.426 217 V N 6.584 126.377 119.914 -0.202 0.000 2.385 217 V HA 0.274 4.394 4.120 0.000 0.000 0.269 217 V C 1.031 177.036 176.094 -0.149 0.000 1.043 217 V CA -0.135 62.050 62.300 -0.191 0.000 0.906 217 V CB 0.933 32.642 31.823 -0.192 0.000 0.995 217 V HN 0.724 nan 8.190 nan 0.000 0.467 218 I N 3.851 124.334 120.570 -0.144 0.000 4.070 218 I HA 0.499 4.669 4.170 0.000 0.000 0.328 218 I C 0.725 176.791 176.117 -0.085 0.000 1.298 218 I CA -0.120 61.118 61.300 -0.103 0.000 1.173 218 I CB 0.038 37.981 38.000 -0.094 0.000 1.051 218 I HN 0.506 nan 8.210 nan 0.000 0.409 219 R N 1.135 121.564 120.500 -0.117 0.000 2.692 219 R HA 0.611 4.951 4.340 0.000 0.000 0.269 219 R C -1.292 174.870 176.300 -0.230 0.000 1.030 219 R CA -0.310 55.737 56.100 -0.089 0.000 0.882 219 R CB 2.195 32.503 30.300 0.012 0.000 1.250 219 R HN 0.332 nan 8.270 nan 0.000 0.465 220 S N 0.644 116.198 115.700 -0.244 0.000 2.552 220 S HA 0.835 5.305 4.470 0.000 0.000 0.272 220 S C -1.192 173.207 174.600 -0.335 0.000 1.150 220 S CA -0.938 56.976 58.200 -0.476 0.000 0.849 220 S CB 1.628 64.670 63.200 -0.264 0.000 1.113 220 S HN 0.589 nan 8.310 nan 0.000 0.458 221 F N -1.248 118.669 119.950 -0.056 0.000 2.799 221 F HA 0.618 5.146 4.527 0.000 0.000 0.316 221 F C -1.528 174.247 175.800 -0.043 0.000 1.155 221 F CA -1.107 56.867 58.000 -0.044 0.000 0.916 221 F CB 0.211 39.186 39.000 -0.041 0.000 1.294 221 F HN 0.588 nan 8.300 nan 0.000 0.447 222 D N 1.442 122.008 120.400 0.276 0.000 2.352 222 D HA 0.184 4.825 4.640 0.000 0.000 0.245 222 D C 0.622 177.039 176.300 0.196 0.000 1.224 222 D CA 0.286 54.382 54.000 0.160 0.000 0.879 222 D CB 1.794 42.647 40.800 0.088 0.000 1.057 222 D HN 0.554 nan 8.370 nan 0.000 0.491 223 V N 4.265 124.309 119.914 0.215 0.000 2.970 223 V HA -0.088 4.032 4.120 0.000 0.000 0.260 223 V C 0.462 176.578 176.094 0.038 0.000 1.100 223 V CA 0.581 62.970 62.300 0.149 0.000 1.122 223 V CB -0.635 31.296 31.823 0.180 0.000 0.721 223 V HN 0.478 nan 8.190 nan 0.000 0.483 224 N N 0.976 119.693 118.700 0.029 0.000 2.454 224 N HA 0.103 4.843 4.740 0.000 0.000 0.254 224 N C -0.251 175.259 175.510 0.001 0.000 1.228 224 N CA 0.127 53.181 53.050 0.006 0.000 0.900 224 N CB 0.403 38.892 38.487 0.004 0.000 1.089 224 N HN 0.141 nan 8.380 nan 0.000 0.449 225 K N 1.729 122.126 120.400 -0.005 0.000 2.106 225 K HA 0.481 4.801 4.320 0.000 0.000 0.246 225 K C -2.265 174.336 176.600 0.003 0.000 0.987 225 K CA -1.990 54.293 56.287 -0.007 0.000 0.904 225 K CB 0.155 32.647 32.500 -0.012 0.000 1.071 225 K HN 0.311 nan 8.250 nan 0.000 0.453 226 P HA 0.053 nan 4.420 nan 0.000 0.269 226 P C 0.525 177.833 177.300 0.013 0.000 1.217 226 P CA 0.614 63.720 63.100 0.010 0.000 0.783 226 P CB 0.328 32.031 31.700 0.005 0.000 0.898 227 G N 0.488 109.300 108.800 0.020 0.000 2.189 227 G HA2 -0.259 3.701 3.960 0.000 0.000 0.267 227 G HA3 -0.259 3.701 3.960 0.000 0.000 0.267 227 G C 0.375 175.291 174.900 0.027 0.000 0.975 227 G CA 0.447 45.560 45.100 0.022 0.000 0.644 227 G HN 0.639 nan 8.290 nan 0.000 0.537 228 T N 2.463 117.034 114.554 0.028 0.000 2.902 228 T HA 0.353 4.704 4.350 0.000 0.000 0.301 228 T C 0.541 175.270 174.700 0.049 0.000 1.012 228 T CA 0.109 62.224 62.100 0.025 0.000 1.151 228 T CB 0.960 69.836 68.868 0.013 0.000 0.946 228 T HN 0.273 nan 8.240 nan 0.000 0.542 229 Q N 2.460 122.286 119.800 0.043 0.000 2.311 229 Q HA 0.121 4.461 4.340 0.000 0.000 0.272 229 Q C 0.971 177.029 176.000 0.097 0.000 1.012 229 Q CA -0.253 55.595 55.803 0.075 0.000 0.891 229 Q CB 0.187 28.957 28.738 0.053 0.000 1.201 229 Q HN 0.698 nan 8.270 nan 0.000 0.391 230 F N 4.236 124.188 119.950 0.003 0.000 2.063 230 F HA -0.337 4.191 4.527 0.000 0.000 0.298 230 F C 1.531 177.333 175.800 0.004 0.000 1.105 230 F CA 2.523 60.525 58.000 0.004 0.000 1.215 230 F CB -0.161 38.842 39.000 0.005 0.000 0.972 230 F HN 0.816 nan 8.300 nan 0.000 0.483 231 N N -0.979 117.707 118.700 -0.024 0.000 2.627 231 N HA -0.103 4.637 4.740 0.000 0.000 0.196 231 N C 0.530 175.963 175.510 -0.129 0.000 1.268 231 N CA 0.658 53.637 53.050 -0.118 0.000 0.904 231 N CB -0.163 38.332 38.487 0.015 0.000 1.016 231 N HN 0.329 nan 8.380 nan 0.000 0.448 232 E N 0.407 120.530 120.200 -0.129 0.000 2.693 232 E HA 0.214 4.564 4.350 0.000 0.000 0.214 232 E C -0.002 176.529 176.600 -0.116 0.000 0.990 232 E CA -0.251 56.093 56.400 -0.094 0.000 1.047 232 E CB 0.676 30.350 29.700 -0.044 0.000 1.039 232 E HN 0.416 nan 8.360 nan 0.000 0.475 233 L N 1.201 122.310 121.223 -0.191 0.000 2.453 233 L HA 0.203 4.543 4.340 0.000 0.000 0.261 233 L C 0.620 177.401 176.870 -0.147 0.000 1.179 233 L CA 0.005 54.746 54.840 -0.165 0.000 0.813 233 L CB 0.444 42.368 42.059 -0.225 0.000 1.110 233 L HN -0.303 nan 8.230 nan 0.000 0.466 234 K N 0.830 121.163 120.400 -0.112 0.000 2.259 234 K HA 0.455 4.775 4.320 0.000 0.000 0.249 234 K C -0.039 176.488 176.600 -0.121 0.000 0.942 234 K CA -0.564 55.650 56.287 -0.122 0.000 0.816 234 K CB 1.757 34.203 32.500 -0.090 0.000 1.155 234 K HN 0.688 nan 8.250 nan 0.000 0.428 235 G N 0.108 108.805 108.800 -0.171 0.000 2.667 235 G HA2 0.306 4.266 3.960 0.000 0.000 0.250 235 G HA3 0.306 4.266 3.960 0.000 0.000 0.250 235 G C 0.195 175.032 174.900 -0.106 0.000 1.212 235 G CA -0.305 44.708 45.100 -0.144 0.000 0.874 235 G HN 0.503 nan 8.290 nan 0.000 0.561 236 G N -1.688 107.062 108.800 -0.082 0.000 2.484 236 G HA2 0.397 4.357 3.960 0.000 0.000 0.235 236 G HA3 0.397 4.357 3.960 0.000 0.000 0.235 236 G C -0.245 174.564 174.900 -0.152 0.000 1.282 236 G CA -0.197 44.848 45.100 -0.091 0.000 0.857 236 G HN 0.652 nan 8.290 nan 0.000 0.571 237 V N 3.274 123.051 119.914 -0.228 0.000 2.483 237 V HA 0.370 4.490 4.120 0.000 0.000 0.295 237 V C -0.057 175.715 176.094 -0.537 0.000 1.035 237 V CA -0.844 61.252 62.300 -0.339 0.000 0.896 237 V CB 1.578 33.220 31.823 -0.301 0.000 0.986 237 V HN 0.490 nan 8.190 nan 0.000 0.447 238 I N 3.545 123.865 120.570 -0.415 0.000 2.404 238 I HA 0.598 4.768 4.170 0.000 0.000 0.293 238 I C 0.619 176.493 176.117 -0.405 0.000 0.992 238 I CA -0.068 60.986 61.300 -0.410 0.000 1.149 238 I CB 1.493 39.310 38.000 -0.306 0.000 1.315 238 I HN 0.737 nan 8.210 nan 0.000 0.446 239 G N 3.179 111.737 108.800 -0.403 0.000 2.416 239 G HA2 0.764 4.724 3.960 0.000 0.000 0.324 239 G HA3 0.764 4.724 3.960 0.000 0.000 0.324 239 G C -0.320 174.424 174.900 -0.261 0.000 1.194 239 G CA -0.519 44.397 45.100 -0.307 0.000 0.922 239 G HN 0.952 nan 8.290 nan 0.000 0.467 240 G N -0.701 107.940 108.800 -0.266 0.000 2.340 240 G HA2 0.504 4.465 3.960 0.000 0.000 0.299 240 G HA3 0.504 4.465 3.960 0.000 0.000 0.299 240 G C -1.429 173.339 174.900 -0.220 0.000 1.291 240 G CA -0.147 44.815 45.100 -0.231 0.000 0.841 240 G HN 1.017 nan 8.290 nan 0.000 0.500 241 S N -0.528 115.070 115.700 -0.169 0.000 2.519 241 S HA 0.551 5.021 4.470 0.000 0.000 0.309 241 S C -0.230 174.311 174.600 -0.098 0.000 1.100 241 S CA -0.585 57.552 58.200 -0.104 0.000 1.059 241 S CB 0.760 63.924 63.200 -0.060 0.000 1.008 241 S HN 1.428 nan 8.310 nan 0.000 0.478 242 I N 5.670 126.220 120.570 -0.033 0.000 2.471 242 I HA 0.354 4.525 4.170 0.000 0.000 0.286 242 I C 0.768 176.886 176.117 0.002 0.000 1.079 242 I CA 0.014 61.325 61.300 0.017 0.000 1.398 242 I CB 0.678 38.793 38.000 0.193 0.000 1.403 242 I HN 0.700 nan 8.210 nan 0.000 0.530 243 I N 5.750 126.283 120.570 -0.062 0.000 2.296 243 I HA 0.090 4.260 4.170 0.000 0.000 0.242 243 I C 0.844 176.931 176.117 -0.051 0.000 1.087 243 I CA 1.211 62.466 61.300 -0.076 0.000 1.393 243 I CB -0.410 37.502 38.000 -0.148 0.000 1.093 243 I HN 0.877 nan 8.210 nan 0.000 0.421 244 Q N -0.528 119.236 119.800 -0.061 0.000 2.496 244 Q HA 0.609 4.949 4.340 0.000 0.000 0.286 244 Q C 0.204 176.151 176.000 -0.088 0.000 1.103 244 Q CA -0.626 55.142 55.803 -0.059 0.000 0.813 244 Q CB 1.603 30.325 28.738 -0.026 0.000 1.444 244 Q HN 0.510 nan 8.270 nan 0.000 0.443 245 G N 0.136 108.863 108.800 -0.122 0.000 2.642 245 G HA2 -0.171 3.789 3.960 0.000 0.000 0.231 245 G HA3 -0.171 3.789 3.960 0.000 0.000 0.231 245 G C -1.320 173.459 174.900 -0.202 0.000 1.338 245 G CA -0.152 44.830 45.100 -0.195 0.000 0.883 245 G HN 1.028 nan 8.290 nan 0.000 0.570 246 L N -1.526 119.502 121.223 -0.325 0.000 2.472 246 L HA 0.830 5.170 4.340 0.000 0.000 0.260 246 L C -1.410 175.231 176.870 -0.382 0.000 0.963 246 L CA -1.092 53.618 54.840 -0.217 0.000 0.829 246 L CB 1.780 43.761 42.059 -0.130 0.000 1.348 246 L HN 0.642 nan 8.230 nan 0.000 0.408 247 F N 3.025 122.976 119.950 0.000 0.000 2.518 247 F HA 0.552 5.079 4.527 0.001 0.000 0.323 247 F C -0.276 175.545 175.800 0.034 0.000 1.129 247 F CA -0.572 57.434 58.000 0.009 0.000 0.920 247 F CB 2.104 41.105 39.000 0.001 0.000 1.160 247 F HN 0.223 nan 8.300 nan 0.000 0.440 248 K N 2.084 122.599 120.400 0.192 0.000 2.203 248 K HA 0.557 4.877 4.320 0.000 0.000 0.251 248 K C -0.832 175.855 176.600 0.145 0.000 0.944 248 K CA -1.117 55.254 56.287 0.140 0.000 0.829 248 K CB 2.851 35.400 32.500 0.082 0.000 1.125 248 K HN 0.446 nan 8.250 nan 0.000 0.430 249 V N 2.765 122.756 119.914 0.128 0.000 2.872 249 V HA -0.059 4.062 4.120 0.000 0.000 0.307 249 V C 0.228 176.383 176.094 0.103 0.000 1.072 249 V CA 1.198 63.566 62.300 0.114 0.000 1.148 249 V CB 0.140 32.024 31.823 0.101 0.000 0.954 249 V HN 0.954 nan 8.190 nan 0.000 0.490 250 D N 1.948 122.415 120.400 0.111 0.000 2.981 250 D HA -0.142 4.498 4.640 0.000 0.000 0.203 250 D C 0.376 176.719 176.300 0.072 0.000 1.049 250 D CA 1.123 55.178 54.000 0.091 0.000 1.003 250 D CB -0.696 40.145 40.800 0.068 0.000 1.085 250 D HN 0.873 nan 8.370 nan 0.000 0.432 251 Q N 0.395 120.253 119.800 0.095 0.000 2.306 251 Q HA 0.251 4.591 4.340 0.000 0.000 0.241 251 Q C 0.272 176.328 176.000 0.093 0.000 0.948 251 Q CA -0.219 55.641 55.803 0.094 0.000 0.886 251 Q CB 1.030 29.847 28.738 0.133 0.000 1.227 251 Q HN 0.021 nan 8.270 nan 0.000 0.457 252 E N 2.572 122.823 120.200 0.085 0.000 2.194 252 E HA 0.285 4.636 4.350 0.000 0.000 0.284 252 E C -0.293 176.382 176.600 0.125 0.000 1.035 252 E CA -0.062 56.397 56.400 0.099 0.000 0.836 252 E CB 0.526 30.284 29.700 0.096 0.000 1.070 252 E HN 0.448 nan 8.360 nan 0.000 0.401 253 I N -0.934 119.704 120.570 0.114 0.000 3.145 253 I HA 0.609 4.779 4.170 0.000 0.000 0.313 253 I C -0.410 175.685 176.117 -0.038 0.000 1.122 253 I CA -1.255 60.088 61.300 0.071 0.000 0.987 253 I CB 2.253 40.284 38.000 0.053 0.000 1.236 253 I HN 0.234 nan 8.210 nan 0.000 0.453 254 K N 1.421 121.719 120.400 -0.171 0.000 2.480 254 K HA 0.811 5.131 4.320 0.000 0.000 0.258 254 K C -1.773 174.662 176.600 -0.276 0.000 0.990 254 K CA -0.929 55.095 56.287 -0.439 0.000 0.857 254 K CB 2.565 34.546 32.500 -0.864 0.000 1.384 254 K HN 0.455 nan 8.250 nan 0.000 0.446 255 V N 2.356 122.105 119.914 -0.275 0.000 2.448 255 V HA 0.432 4.552 4.120 0.000 0.000 0.295 255 V C -0.600 175.412 176.094 -0.137 0.000 1.025 255 V CA -0.822 61.376 62.300 -0.169 0.000 0.859 255 V CB 0.949 32.698 31.823 -0.124 0.000 0.988 255 V HN 0.588 nan 8.190 nan 0.000 0.431 256 L N 5.373 126.531 121.223 -0.108 0.000 2.362 256 L HA 0.491 4.832 4.340 0.000 0.000 0.271 256 L C -1.940 174.874 176.870 -0.093 0.000 1.002 256 L CA -1.825 52.965 54.840 -0.082 0.000 0.818 256 L CB 2.418 44.442 42.059 -0.059 0.000 1.298 256 L HN 0.312 nan 8.230 nan 0.000 0.420 257 P HA -0.064 nan 4.420 nan 0.000 0.218 257 P C 0.740 178.055 177.300 0.026 0.000 1.149 257 P CA 1.237 64.242 63.100 -0.158 0.000 0.817 257 P CB 0.323 31.721 31.700 -0.504 0.000 0.785 258 G N -1.375 107.466 108.800 0.067 0.000 2.408 258 G HA2 -0.129 3.831 3.960 0.000 0.000 0.204 258 G HA3 -0.129 3.831 3.960 0.000 0.000 0.204 258 G C -1.540 173.479 174.900 0.197 0.000 1.186 258 G CA -0.445 44.721 45.100 0.110 0.000 1.139 258 G HN 0.348 nan 8.290 nan 0.000 0.563 259 L N 1.602 122.901 121.223 0.128 0.000 2.290 259 L HA 0.728 5.068 4.340 0.000 0.000 0.284 259 L C 1.005 177.779 176.870 -0.160 0.000 1.078 259 L CA -0.451 54.406 54.840 0.028 0.000 0.815 259 L CB 1.146 43.216 42.059 0.018 0.000 1.162 259 L HN 0.731 nan 8.230 nan 0.000 0.435 260 R N 4.550 124.842 120.500 -0.347 0.000 2.267 260 R HA 0.488 4.829 4.340 0.000 0.000 0.319 260 R C -1.474 174.615 176.300 -0.351 0.000 1.067 260 R CA -0.396 55.248 56.100 -0.760 0.000 0.936 260 R CB 0.517 30.476 30.300 -0.568 0.000 1.006 260 R HN 0.613 nan 8.270 nan 0.000 0.452 261 V N 4.521 124.252 119.914 -0.305 0.000 2.581 261 V HA 0.227 4.347 4.120 0.000 0.000 0.303 261 V C 0.164 176.205 176.094 -0.088 0.000 1.041 261 V CA -0.536 61.687 62.300 -0.129 0.000 0.907 261 V CB 1.838 33.621 31.823 -0.065 0.000 0.994 261 V HN 0.878 nan 8.190 nan 0.000 0.442 262 E N 1.447 121.616 120.200 -0.051 0.000 2.734 262 E HA 0.134 4.484 4.350 0.000 0.000 0.211 262 E C 0.017 176.606 176.600 -0.017 0.000 0.991 262 E CA -0.349 56.035 56.400 -0.028 0.000 1.065 262 E CB 0.577 30.264 29.700 -0.022 0.000 1.047 262 E HN 0.746 nan 8.360 nan 0.000 0.470 263 K N 0.636 121.026 120.400 -0.016 0.000 2.414 263 K HA 0.094 4.414 4.320 0.000 0.000 0.272 263 K C 0.019 176.613 176.600 -0.011 0.000 0.993 263 K CA -0.252 56.029 56.287 -0.010 0.000 0.964 263 K CB 0.570 33.066 32.500 -0.007 0.000 0.925 263 K HN -0.232 nan 8.250 nan 0.000 0.487 264 Q N 0.681 120.475 119.800 -0.010 0.000 2.502 264 Q HA -0.194 4.146 4.340 0.000 0.000 0.273 264 Q C 0.840 176.832 176.000 -0.013 0.000 1.127 264 Q CA 1.359 57.155 55.803 -0.011 0.000 0.952 264 Q CB -1.925 26.805 28.738 -0.014 0.000 1.333 264 Q HN 1.250 nan 8.270 nan 0.000 0.494 265 G N -0.835 107.959 108.800 -0.011 0.000 2.413 265 G HA2 -0.448 3.512 3.960 0.000 0.000 0.259 265 G HA3 -0.448 3.512 3.960 0.000 0.000 0.259 265 G C 0.108 175.001 174.900 -0.012 0.000 1.003 265 G CA 1.163 46.258 45.100 -0.009 0.000 0.629 265 G HN 0.616 nan 8.290 nan 0.000 0.548 266 K N 0.511 120.900 120.400 -0.019 0.000 2.172 266 K HA 0.650 4.970 4.320 0.000 0.000 0.276 266 K C 0.320 176.908 176.600 -0.021 0.000 1.013 266 K CA -0.485 55.785 56.287 -0.029 0.000 0.913 266 K CB 2.597 35.068 32.500 -0.048 0.000 1.055 266 K HN 0.701 nan 8.250 nan 0.000 0.461 267 V N 0.054 119.963 119.914 -0.008 0.000 2.530 267 V HA 0.436 4.557 4.120 0.000 0.000 0.282 267 V C -0.298 175.840 176.094 0.073 0.000 1.048 267 V CA -0.200 62.123 62.300 0.039 0.000 0.997 267 V CB 0.469 32.364 31.823 0.121 0.000 0.987 267 V HN 0.960 nan 8.190 nan 0.000 0.477 268 S N 3.523 119.283 115.700 0.099 0.000 2.618 268 S HA 0.791 5.261 4.470 0.000 0.000 0.277 268 S C -1.397 173.299 174.600 0.160 0.000 1.138 268 S CA -0.793 57.543 58.200 0.227 0.000 0.844 268 S CB 1.540 64.805 63.200 0.108 0.000 1.127 268 S HN 0.708 nan 8.310 nan 0.000 0.474 269 Y N 0.068 120.538 120.300 0.284 0.000 2.393 269 Y HA 0.636 5.187 4.550 0.001 0.000 0.341 269 Y C -0.158 175.819 175.900 0.128 0.000 0.988 269 Y CA -0.527 57.675 58.100 0.169 0.000 1.078 269 Y CB 2.013 40.540 38.460 0.111 0.000 1.203 269 Y HN 0.722 nan 8.280 nan 0.000 0.453 270 E N 5.845 126.150 120.200 0.175 0.000 2.129 270 E HA 0.344 4.694 4.350 0.000 0.000 0.268 270 E C -2.617 174.077 176.600 0.156 0.000 0.900 270 E CA -2.548 53.947 56.400 0.159 0.000 0.755 270 E CB 1.193 30.960 29.700 0.111 0.000 1.117 270 E HN 0.191 nan 8.360 nan 0.000 0.410 271 P HA 0.019 nan 4.420 nan 0.000 0.266 271 P C -0.413 176.882 177.300 -0.009 0.000 1.195 271 P CA 0.272 63.372 63.100 -0.000 0.000 0.768 271 P CB 0.722 32.362 31.700 -0.100 0.000 0.838 272 I N 3.194 123.695 120.570 -0.114 0.000 2.312 272 I HA 0.262 4.432 4.170 0.000 0.000 0.290 272 I C 0.290 176.323 176.117 -0.141 0.000 1.008 272 I CA -0.604 60.684 61.300 -0.021 0.000 1.226 272 I CB 0.115 38.111 38.000 -0.006 0.000 1.371 272 I HN 0.136 nan 8.210 nan 0.000 0.468 273 F N 4.309 124.272 119.950 0.022 0.000 2.425 273 F HA 0.701 5.228 4.527 0.000 0.000 0.331 273 F C 0.699 176.511 175.800 0.020 0.000 1.085 273 F CA -0.298 57.713 58.000 0.019 0.000 1.028 273 F CB 1.855 40.864 39.000 0.016 0.000 1.177 273 F HN 0.408 nan 8.300 nan 0.000 0.487 274 T N 0.837 115.510 114.554 0.200 0.000 2.676 274 T HA 0.368 4.718 4.350 0.000 0.000 0.299 274 T C -1.956 172.813 174.700 0.115 0.000 1.657 274 T CA -0.782 61.404 62.100 0.143 0.000 0.985 274 T CB 1.276 70.222 68.868 0.130 0.000 1.926 274 T HN 0.615 nan 8.240 nan 0.000 0.456 275 K N 0.744 121.234 120.400 0.149 0.000 2.508 275 K HA 0.671 4.992 4.320 0.000 0.000 0.260 275 K C -1.044 175.702 176.600 0.244 0.000 0.949 275 K CA -0.826 55.536 56.287 0.125 0.000 0.834 275 K CB 1.642 34.099 32.500 -0.072 0.000 1.365 275 K HN 0.543 nan 8.250 nan 0.000 0.437 276 I N 2.783 123.454 120.570 0.167 0.000 2.416 276 I HA -0.011 4.159 4.170 0.000 0.000 0.288 276 I C 1.191 177.427 176.117 0.198 0.000 1.051 276 I CA 0.199 61.580 61.300 0.134 0.000 1.375 276 I CB 1.388 39.444 38.000 0.093 0.000 1.407 276 I HN 0.744 nan 8.210 nan 0.000 0.516 277 S N 2.962 118.738 115.700 0.127 0.000 2.497 277 S HA 0.158 4.628 4.470 0.000 0.000 0.218 277 S C 0.482 175.099 174.600 0.028 0.000 1.023 277 S CA 0.114 58.364 58.200 0.083 0.000 0.913 277 S CB 0.276 63.368 63.200 -0.180 0.000 0.800 277 S HN 0.720 nan 8.310 nan 0.000 0.505 278 S N 0.123 115.828 115.700 0.009 0.000 2.558 278 S HA 0.662 5.132 4.470 0.000 0.000 0.277 278 S C -1.481 173.126 174.600 0.012 0.000 1.143 278 S CA -1.074 57.135 58.200 0.014 0.000 0.865 278 S CB 0.632 63.825 63.200 -0.012 0.000 1.102 278 S HN 0.305 nan 8.310 nan 0.000 0.454 279 I N 1.710 122.317 120.570 0.062 0.000 2.465 279 I HA 0.594 4.764 4.170 0.000 0.000 0.291 279 I C -0.312 175.884 176.117 0.132 0.000 1.014 279 I CA -0.753 60.596 61.300 0.081 0.000 1.093 279 I CB 2.116 40.239 38.000 0.206 0.000 1.267 279 I HN 0.615 nan 8.210 nan 0.000 0.431 280 R N 5.682 126.193 120.500 0.018 0.000 2.510 280 R HA 0.428 4.768 4.340 0.000 0.000 0.294 280 R C -1.640 174.666 176.300 0.011 0.000 1.056 280 R CA -0.562 55.599 56.100 0.102 0.000 0.918 280 R CB 1.871 32.186 30.300 0.026 0.000 1.187 280 R HN 0.386 nan 8.270 nan 0.000 0.437 281 F N 2.625 122.811 119.950 0.394 0.000 2.291 281 F HA 0.403 4.930 4.527 0.001 0.000 0.368 281 F C 1.306 177.299 175.800 0.321 0.000 1.085 281 F CA 0.375 58.577 58.000 0.335 0.000 1.165 281 F CB 1.368 40.538 39.000 0.283 0.000 1.429 281 F HN 0.917 nan 8.300 nan 0.000 0.503 282 G N 3.167 112.150 108.800 0.305 0.000 2.596 282 G HA2 -0.344 3.616 3.960 0.000 0.000 0.258 282 G HA3 -0.344 3.616 3.960 0.000 0.000 0.258 282 G C 0.506 175.500 174.900 0.157 0.000 1.207 282 G CA 0.358 45.605 45.100 0.244 0.000 0.954 282 G HN 0.450 nan 8.290 nan 0.000 0.551 283 D N 1.816 122.295 120.400 0.132 0.000 2.355 283 D HA 0.252 4.892 4.640 0.000 0.000 0.206 283 D C 0.596 176.913 176.300 0.029 0.000 1.010 283 D CA 0.641 54.682 54.000 0.069 0.000 0.875 283 D CB 0.227 41.060 40.800 0.054 0.000 0.966 283 D HN 0.398 nan 8.370 nan 0.000 0.512 284 E N 1.617 121.841 120.200 0.040 0.000 2.283 284 E HA 0.197 4.548 4.350 0.000 0.000 0.278 284 E C 0.042 176.480 176.600 -0.271 0.000 1.027 284 E CA -0.024 56.281 56.400 -0.159 0.000 0.843 284 E CB 1.212 30.769 29.700 -0.237 0.000 1.062 284 E HN 0.247 nan 8.360 nan 0.000 0.401 285 E N 2.469 122.451 120.200 -0.364 0.000 2.197 285 E HA 0.363 4.713 4.350 0.000 0.000 0.281 285 E C -0.485 175.831 176.600 -0.474 0.000 0.995 285 E CA -0.303 55.955 56.400 -0.236 0.000 0.808 285 E CB 0.912 30.547 29.700 -0.108 0.000 1.093 285 E HN 0.258 nan 8.360 nan 0.000 0.394 286 F N 1.270 121.300 119.950 0.133 0.000 2.746 286 F HA 0.296 4.823 4.527 0.001 0.000 0.378 286 F C 1.530 177.392 175.800 0.103 0.000 1.165 286 F CA -0.730 57.344 58.000 0.123 0.000 1.089 286 F CB 0.700 39.807 39.000 0.178 0.000 1.439 286 F HN 0.231 nan 8.300 nan 0.000 0.516 287 K N -0.323 120.269 120.400 0.320 0.000 2.450 287 K HA 0.324 4.645 4.320 0.000 0.000 0.206 287 K C -0.646 176.065 176.600 0.186 0.000 1.148 287 K CA 0.429 56.831 56.287 0.193 0.000 1.014 287 K CB 0.759 33.338 32.500 0.131 0.000 0.966 287 K HN 0.702 nan 8.250 nan 0.000 0.566 288 E N 0.739 121.065 120.200 0.210 0.000 2.314 288 E HA 0.612 4.962 4.350 0.000 0.000 0.272 288 E C -1.539 175.175 176.600 0.191 0.000 0.884 288 E CA -0.964 55.531 56.400 0.158 0.000 0.753 288 E CB 2.406 32.151 29.700 0.075 0.000 1.213 288 E HN 0.218 nan 8.360 nan 0.000 0.432 289 A N 2.950 125.917 122.820 0.244 0.000 2.304 289 A HA 0.553 4.874 4.320 0.000 0.000 0.314 289 A C -0.637 177.075 177.584 0.214 0.000 1.187 289 A CA -0.648 51.604 52.037 0.358 0.000 0.810 289 A CB 0.631 19.872 19.000 0.402 0.000 1.183 289 A HN 0.493 nan 8.150 nan 0.000 0.487 290 K N 2.556 122.996 120.400 0.068 0.000 2.306 290 K HA 0.609 4.929 4.320 0.000 0.000 0.236 290 K C -2.780 173.837 176.600 0.029 0.000 1.013 290 K CA -2.211 54.076 56.287 0.001 0.000 0.857 290 K CB 1.653 34.087 32.500 -0.110 0.000 1.214 290 K HN 0.452 nan 8.250 nan 0.000 0.449 291 P HA -0.001 nan 4.420 nan 0.000 0.268 291 P C -0.134 177.153 177.300 -0.022 0.000 1.204 291 P CA 0.430 63.533 63.100 0.006 0.000 0.768 291 P CB 1.053 32.735 31.700 -0.030 0.000 0.842 292 G N 1.710 110.527 108.800 0.028 0.000 4.081 292 G HA2 0.254 4.214 3.960 0.000 0.000 0.192 292 G HA3 0.254 4.214 3.960 0.000 0.000 0.192 292 G C 0.128 175.084 174.900 0.093 0.000 0.917 292 G CA 0.495 45.594 45.100 -0.001 0.000 0.915 292 G HN 0.836 nan 8.290 nan 0.000 0.330 293 G N -0.533 108.427 108.800 0.266 0.000 3.058 293 G HA2 0.579 4.539 3.960 0.000 0.000 0.282 293 G HA3 0.579 4.539 3.960 0.000 0.000 0.282 293 G C -1.384 173.701 174.900 0.309 0.000 1.248 293 G CA -0.787 44.556 45.100 0.406 0.000 0.822 293 G HN 0.453 nan 8.290 nan 0.000 0.579 294 L N 1.131 122.441 121.223 0.144 0.000 2.264 294 L HA 0.565 4.905 4.340 0.000 0.000 0.289 294 L C -0.279 176.344 176.870 -0.412 0.000 1.044 294 L CA -0.760 53.833 54.840 -0.412 0.000 0.807 294 L CB 1.319 42.643 42.059 -1.225 0.000 1.192 294 L HN 0.225 nan 8.230 nan 0.000 0.425 295 V N 3.746 123.355 119.914 -0.508 0.000 2.483 295 V HA 0.729 4.850 4.120 0.000 0.000 0.295 295 V C 0.049 175.860 176.094 -0.472 0.000 1.035 295 V CA -0.391 61.429 62.300 -0.801 0.000 0.896 295 V CB 1.804 33.052 31.823 -0.959 0.000 0.986 295 V HN 0.827 nan 8.190 nan 0.000 0.447 296 A N 7.837 130.425 122.820 -0.386 0.000 2.249 296 A HA 0.759 5.080 4.320 0.000 0.000 0.314 296 A C -0.544 176.907 177.584 -0.222 0.000 1.290 296 A CA -0.465 51.428 52.037 -0.240 0.000 0.893 296 A CB 0.221 19.157 19.000 -0.108 0.000 1.165 296 A HN 0.802 nan 8.150 nan 0.000 0.530 297 I N 2.840 123.267 120.570 -0.238 0.000 2.362 297 I HA 0.393 4.564 4.170 0.000 0.000 0.289 297 I C 0.953 176.967 176.117 -0.172 0.000 0.994 297 I CA -0.470 60.714 61.300 -0.194 0.000 1.158 297 I CB 1.975 39.838 38.000 -0.229 0.000 1.315 297 I HN 0.728 nan 8.210 nan 0.000 0.451 298 G N 3.752 112.478 108.800 -0.123 0.000 2.444 298 G HA2 0.551 4.511 3.960 0.000 0.000 0.268 298 G HA3 0.551 4.511 3.960 0.000 0.000 0.268 298 G C -0.129 174.695 174.900 -0.127 0.000 1.203 298 G CA -0.045 44.975 45.100 -0.132 0.000 0.835 298 G HN 0.620 nan 8.290 nan 0.000 0.543 299 T N -1.723 112.739 114.554 -0.154 0.000 2.804 299 T HA 0.435 4.785 4.350 0.000 0.000 0.290 299 T C -0.347 174.234 174.700 -0.198 0.000 1.099 299 T CA -0.707 61.347 62.100 -0.077 0.000 1.011 299 T CB 1.368 70.218 68.868 -0.030 0.000 1.291 299 T HN 0.307 nan 8.240 nan 0.000 0.523 300 Y N 0.063 120.348 120.300 -0.024 0.000 2.708 300 Y HA 0.498 5.048 4.550 0.000 0.000 0.287 300 Y C 0.416 176.310 175.900 -0.011 0.000 1.145 300 Y CA -0.794 57.296 58.100 -0.016 0.000 1.249 300 Y CB -0.163 38.296 38.460 -0.003 0.000 1.152 300 Y HN 0.277 nan 8.280 nan 0.000 0.532 301 L N 0.681 121.944 121.223 0.066 0.000 2.395 301 L HA 0.118 4.458 4.340 0.000 0.000 0.269 301 L C 0.544 177.425 176.870 0.018 0.000 1.133 301 L CA -0.480 54.386 54.840 0.043 0.000 0.812 301 L CB 0.552 42.615 42.059 0.007 0.000 1.125 301 L HN 0.121 nan 8.230 nan 0.000 0.452 302 D N 5.151 125.571 120.400 0.033 0.000 2.412 302 D HA -0.015 4.625 4.640 0.000 0.000 0.257 302 D C -1.363 174.946 176.300 0.015 0.000 1.217 302 D CA -1.400 52.618 54.000 0.031 0.000 0.897 302 D CB 1.297 42.124 40.800 0.045 0.000 1.132 302 D HN 0.275 nan 8.370 nan 0.000 0.493 303 P HA -0.240 nan 4.420 nan 0.000 0.218 303 P C 1.424 178.735 177.300 0.019 0.000 1.150 303 P CA 0.984 64.089 63.100 0.007 0.000 0.841 303 P CB 0.175 31.884 31.700 0.014 0.000 0.784 304 S N -0.849 114.868 115.700 0.029 0.000 2.440 304 S HA -0.124 4.347 4.470 0.000 0.000 0.240 304 S C 1.941 176.553 174.600 0.020 0.000 1.014 304 S CA 0.762 58.980 58.200 0.030 0.000 0.980 304 S CB -0.950 62.273 63.200 0.037 0.000 0.775 304 S HN 0.098 nan 8.310 nan 0.000 0.499 305 L N 0.713 121.944 121.223 0.012 0.000 2.240 305 L HA 0.019 4.359 4.340 0.000 0.000 0.211 305 L C 2.711 179.572 176.870 -0.015 0.000 1.106 305 L CA 1.486 56.327 54.840 0.002 0.000 0.793 305 L CB -0.397 41.663 42.059 0.003 0.000 0.927 305 L HN 0.560 nan 8.230 nan 0.000 0.446 306 T N -4.199 110.341 114.554 -0.023 0.000 3.023 306 T HA -0.018 4.332 4.350 0.000 0.000 0.249 306 T C 1.015 175.710 174.700 -0.007 0.000 1.050 306 T CA -0.355 61.714 62.100 -0.052 0.000 1.088 306 T CB 0.047 68.846 68.868 -0.115 0.000 0.946 306 T HN -0.006 nan 8.240 nan 0.000 0.480 307 K N 2.003 122.421 120.400 0.031 0.000 2.579 307 K HA 0.065 4.385 4.320 0.000 0.000 0.277 307 K C 0.633 177.273 176.600 0.066 0.000 0.985 307 K CA 0.705 57.033 56.287 0.068 0.000 1.088 307 K CB -0.405 32.125 32.500 0.050 0.000 0.836 307 K HN 0.657 nan 8.250 nan 0.000 0.487 308 A N 4.882 127.761 122.820 0.098 0.000 2.560 308 A HA -0.181 4.139 4.320 0.000 0.000 0.299 308 A C 0.012 177.632 177.584 0.060 0.000 1.484 308 A CA 1.199 53.282 52.037 0.076 0.000 0.749 308 A CB -1.638 17.389 19.000 0.044 0.000 1.072 308 A HN 1.052 nan 8.150 nan 0.000 0.426 309 D N -1.377 119.066 120.400 0.073 0.000 2.701 309 D HA -0.241 4.399 4.640 0.000 0.000 0.235 309 D C 0.853 177.150 176.300 -0.005 0.000 1.155 309 D CA 1.305 55.317 54.000 0.020 0.000 0.649 309 D CB -1.596 39.220 40.800 0.026 0.000 1.050 309 D HN 0.962 nan 8.370 nan 0.000 0.425 310 N N -0.343 118.354 118.700 -0.006 0.000 2.166 310 N HA -0.175 4.565 4.740 0.000 0.000 0.186 310 N C 1.465 176.963 175.510 -0.019 0.000 1.019 310 N CA 0.517 53.563 53.050 -0.006 0.000 0.856 310 N CB 0.075 38.561 38.487 -0.002 0.000 0.993 310 N HN 0.087 nan 8.380 nan 0.000 0.426 311 L N 1.325 122.520 121.223 -0.046 0.000 2.591 311 L HA 0.173 4.513 4.340 0.000 0.000 0.228 311 L C 0.136 176.962 176.870 -0.073 0.000 1.133 311 L CA 0.076 54.880 54.840 -0.061 0.000 0.880 311 L CB -1.108 40.895 42.059 -0.093 0.000 1.033 311 L HN 0.271 nan 8.230 nan 0.000 0.450 312 L N 1.049 122.233 121.223 -0.065 0.000 2.601 312 L HA 0.368 4.708 4.340 0.000 0.000 0.277 312 L C 1.213 178.044 176.870 -0.065 0.000 1.219 312 L CA 1.145 55.945 54.840 -0.068 0.000 0.915 312 L CB -0.192 41.839 42.059 -0.047 0.000 1.160 312 L HN 0.442 nan 8.230 nan 0.000 0.494 313 G N 2.224 110.978 108.800 -0.077 0.000 2.238 313 G HA2 -0.239 3.722 3.960 0.000 0.000 0.217 313 G HA3 -0.239 3.722 3.960 0.000 0.000 0.217 313 G C 0.538 175.388 174.900 -0.084 0.000 0.996 313 G CA 0.187 45.242 45.100 -0.075 0.000 0.632 313 G HN 0.899 nan 8.290 nan 0.000 0.503 314 S N 0.203 115.846 115.700 -0.094 0.000 2.625 314 S HA 0.768 5.238 4.470 0.000 0.000 0.262 314 S C 0.341 174.869 174.600 -0.121 0.000 1.223 314 S CA 0.579 58.719 58.200 -0.101 0.000 0.993 314 S CB 0.750 63.891 63.200 -0.098 0.000 1.051 314 S HN 1.419 nan 8.310 nan 0.000 0.562 315 I N -1.914 118.580 120.570 -0.127 0.000 2.752 315 I HA 0.607 4.777 4.170 0.000 0.000 0.295 315 I C -1.864 174.156 176.117 -0.161 0.000 1.219 315 I CA -1.039 60.156 61.300 -0.175 0.000 1.030 315 I CB 1.319 39.204 38.000 -0.191 0.000 1.259 315 I HN 0.263 nan 8.210 nan 0.000 0.423 316 I N 4.258 124.706 120.570 -0.203 0.000 2.392 316 I HA 0.708 4.878 4.170 0.000 0.000 0.295 316 I C 0.530 176.626 176.117 -0.036 0.000 0.985 316 I CA 0.164 61.350 61.300 -0.190 0.000 1.221 316 I CB 1.899 39.681 38.000 -0.363 0.000 1.366 316 I HN 0.868 nan 8.210 nan 0.000 0.467 317 T N 3.750 118.335 114.554 0.053 0.000 2.841 317 T HA 0.617 4.967 4.350 0.000 0.000 0.296 317 T C -0.409 174.404 174.700 0.189 0.000 1.166 317 T CA -0.989 61.223 62.100 0.186 0.000 1.007 317 T CB 0.677 69.590 68.868 0.075 0.000 1.253 317 T HN 0.320 nan 8.240 nan 0.000 0.511 318 L N 1.984 123.302 121.223 0.158 0.000 2.456 318 L HA 0.343 4.683 4.340 0.000 0.000 0.272 318 L C 2.242 179.160 176.870 0.080 0.000 1.189 318 L CA -0.098 54.812 54.840 0.116 0.000 0.846 318 L CB 0.451 42.530 42.059 0.034 0.000 1.111 318 L HN 1.112 nan 8.230 nan 0.000 0.475 319 A N 2.403 125.284 122.820 0.103 0.000 1.940 319 A HA -0.253 4.068 4.320 0.000 0.000 0.221 319 A C 1.608 179.299 177.584 0.178 0.000 1.190 319 A CA 2.220 54.353 52.037 0.160 0.000 0.647 319 A CB -0.403 18.757 19.000 0.267 0.000 0.821 319 A HN 0.872 nan 8.150 nan 0.000 0.457 320 D N -0.373 120.101 120.400 0.124 0.000 2.347 320 D HA 0.300 4.940 4.640 0.000 0.000 0.213 320 D C 1.066 177.411 176.300 0.075 0.000 0.985 320 D CA 0.779 54.839 54.000 0.100 0.000 0.879 320 D CB -0.469 40.372 40.800 0.068 0.000 0.919 320 D HN 0.529 nan 8.370 nan 0.000 0.526 321 A N 0.934 123.790 122.820 0.061 0.000 2.547 321 A HA -0.006 4.314 4.320 0.000 0.000 0.233 321 A C 0.477 178.096 177.584 0.057 0.000 1.067 321 A CA 0.414 52.481 52.037 0.050 0.000 0.763 321 A CB 0.317 19.345 19.000 0.046 0.000 1.007 321 A HN -0.094 nan 8.150 nan 0.000 0.506 322 E N 1.072 121.304 120.200 0.054 0.000 2.121 322 E HA 0.432 4.782 4.350 0.000 0.000 0.255 322 E C -1.408 175.227 176.600 0.057 0.000 0.906 322 E CA -0.229 56.204 56.400 0.054 0.000 0.745 322 E CB 1.323 31.051 29.700 0.046 0.000 1.155 322 E HN 0.305 nan 8.360 nan 0.000 0.424 323 V N 5.358 125.307 119.914 0.059 0.000 2.443 323 V HA 0.332 4.453 4.120 0.000 0.000 0.293 323 V C -1.865 174.256 176.094 0.045 0.000 1.021 323 V CA -1.605 60.734 62.300 0.065 0.000 0.848 323 V CB 1.811 33.691 31.823 0.095 0.000 0.998 323 V HN 0.460 nan 8.190 nan 0.000 0.424 324 P HA 0.350 nan 4.420 nan 0.000 0.274 324 P C -0.793 176.508 177.300 0.003 0.000 1.246 324 P CA -0.217 62.897 63.100 0.023 0.000 0.795 324 P CB 1.850 33.558 31.700 0.013 0.000 1.006 325 V N 0.461 120.374 119.914 -0.002 0.000 2.398 325 V HA 0.429 4.549 4.120 0.000 0.000 0.282 325 V C -0.894 175.166 176.094 -0.056 0.000 1.014 325 V CA -0.685 61.571 62.300 -0.074 0.000 0.838 325 V CB 0.361 32.115 31.823 -0.115 0.000 1.018 325 V HN 0.267 nan 8.190 nan 0.000 0.432 326 L N 4.777 125.957 121.223 -0.073 0.000 2.275 326 L HA 0.492 4.833 4.340 0.000 0.000 0.288 326 L C 0.396 177.246 176.870 -0.034 0.000 1.046 326 L CA -0.349 54.498 54.840 0.012 0.000 0.805 326 L CB 1.330 43.395 42.059 0.010 0.000 1.193 326 L HN 0.694 nan 8.230 nan 0.000 0.426 327 W N 1.461 122.740 121.300 -0.035 0.000 2.800 327 W HA 0.049 4.709 4.660 0.000 0.000 0.249 327 W C 0.192 176.693 176.519 -0.030 0.000 1.294 327 W CA -0.083 57.242 57.345 -0.034 0.000 1.402 327 W CB -0.184 29.268 29.460 -0.012 0.000 1.126 327 W HN 0.505 nan 8.180 nan 0.000 0.652 328 N N 0.308 119.111 118.700 0.172 0.000 2.371 328 N HA 0.460 5.200 4.740 0.000 0.000 0.291 328 N C -1.009 174.523 175.510 0.036 0.000 1.053 328 N CA -0.596 52.507 53.050 0.089 0.000 0.870 328 N CB 2.016 40.554 38.487 0.084 0.000 1.503 328 N HN -0.150 nan 8.380 nan 0.000 0.485 329 I N -2.146 118.428 120.570 0.007 0.000 2.730 329 I HA 0.631 4.801 4.170 0.000 0.000 0.298 329 I C -0.673 175.435 176.117 -0.016 0.000 1.089 329 I CA -1.129 60.161 61.300 -0.016 0.000 1.041 329 I CB 2.412 40.387 38.000 -0.043 0.000 1.235 329 I HN 0.258 nan 8.210 nan 0.000 0.423 330 R N 4.547 125.036 120.500 -0.018 0.000 2.368 330 R HA 0.797 5.137 4.340 0.000 0.000 0.302 330 R C -1.504 174.788 176.300 -0.014 0.000 1.002 330 R CA -0.455 55.639 56.100 -0.011 0.000 0.929 330 R CB 1.264 31.559 30.300 -0.008 0.000 1.073 330 R HN 0.782 nan 8.270 nan 0.000 0.464 331 I N 3.506 124.079 120.570 0.005 0.000 2.499 331 I HA 0.238 4.408 4.170 0.000 0.000 0.288 331 I C -0.553 175.598 176.117 0.058 0.000 1.048 331 I CA -0.753 60.555 61.300 0.013 0.000 1.062 331 I CB 2.171 40.174 38.000 0.004 0.000 1.238 331 I HN 0.482 nan 8.210 nan 0.000 0.426 332 K N 7.558 127.950 120.400 -0.015 0.000 2.231 332 K HA 0.277 4.597 4.320 0.000 0.000 0.275 332 K C -1.077 175.400 176.600 -0.206 0.000 1.105 332 K CA -0.388 55.844 56.287 -0.093 0.000 0.931 332 K CB 0.318 32.745 32.500 -0.121 0.000 1.296 332 K HN 0.552 nan 8.250 nan 0.000 0.446 333 Y N 1.074 121.196 120.300 -0.296 0.000 2.519 333 Y HA 0.533 5.083 4.550 0.001 0.000 0.324 333 Y C -1.059 174.565 175.900 -0.460 0.000 1.214 333 Y CA -1.123 56.721 58.100 -0.427 0.000 1.260 333 Y CB 0.966 39.265 38.460 -0.268 0.000 1.311 333 Y HN 0.363 nan 8.280 nan 0.000 0.505 334 N N 1.802 120.180 118.700 -0.536 0.000 2.607 334 N HA 0.276 5.016 4.740 0.000 0.000 0.271 334 N C -1.646 173.784 175.510 -0.133 0.000 1.142 334 N CA -0.422 52.375 53.050 -0.422 0.000 0.810 334 N CB 1.400 39.593 38.487 -0.490 0.000 1.306 334 N HN 0.560 nan 8.380 nan 0.000 0.536 335 L N 1.001 122.264 121.223 0.068 0.000 2.475 335 L HA 0.402 4.742 4.340 0.000 0.000 0.250 335 L C -0.334 176.591 176.870 0.092 0.000 1.224 335 L CA -0.225 54.690 54.840 0.124 0.000 0.821 335 L CB 0.367 42.529 42.059 0.171 0.000 1.141 335 L HN 0.406 nan 8.230 nan 0.000 0.494 336 L N 0.540 121.825 121.223 0.103 0.000 2.322 336 L HA 0.302 4.642 4.340 0.000 0.000 0.279 336 L C 0.901 177.819 176.870 0.081 0.000 1.036 336 L CA -0.030 54.873 54.840 0.105 0.000 0.807 336 L CB 1.246 43.376 42.059 0.117 0.000 1.226 336 L HN 0.664 nan 8.230 nan 0.000 0.433 337 E N 2.606 122.852 120.200 0.076 0.000 2.017 337 E HA -0.083 4.267 4.350 0.000 0.000 0.193 337 E C -0.094 176.536 176.600 0.050 0.000 0.997 337 E CA 1.341 57.775 56.400 0.057 0.000 0.804 337 E CB -0.175 29.557 29.700 0.053 0.000 0.757 337 E HN 0.529 nan 8.360 nan 0.000 0.448 338 R N -0.664 119.870 120.500 0.056 0.000 2.739 338 R HA 0.637 4.977 4.340 0.000 0.000 0.271 338 R C -1.281 175.054 176.300 0.058 0.000 1.010 338 R CA -0.956 55.172 56.100 0.047 0.000 0.897 338 R CB 1.539 31.860 30.300 0.034 0.000 1.236 338 R HN 0.027 nan 8.270 nan 0.000 0.466 339 V N -0.760 119.183 119.914 0.048 0.000 2.588 339 V HA 0.606 4.727 4.120 0.000 0.000 0.304 339 V C 0.384 176.500 176.094 0.036 0.000 1.042 339 V CA -0.967 61.364 62.300 0.053 0.000 0.877 339 V CB 1.494 33.348 31.823 0.052 0.000 0.996 339 V HN 0.687 nan 8.190 nan 0.000 0.425 340 V N 1.703 121.641 119.914 0.040 0.000 2.740 340 V HA 0.951 5.071 4.120 0.000 0.000 0.303 340 V C 0.735 176.836 176.094 0.011 0.000 1.054 340 V CA 0.834 63.148 62.300 0.023 0.000 1.106 340 V CB 0.192 32.031 31.823 0.027 0.000 0.957 340 V HN 2.091 nan 8.190 nan 0.000 0.486 341 G N 1.349 110.150 108.800 0.000 0.000 2.384 341 G HA2 0.647 4.607 3.960 0.000 0.000 0.300 341 G HA3 0.647 4.607 3.960 0.000 0.000 0.300 341 G C -0.314 174.579 174.900 -0.011 0.000 1.582 341 G CA -0.007 45.088 45.100 -0.008 0.000 0.875 341 G HN 2.327 nan 8.290 nan 0.000 0.628 342 A N 0.356 123.168 122.820 -0.015 0.000 5.585 342 A HA -0.227 4.093 4.320 0.000 0.000 0.295 342 A C 1.967 179.544 177.584 -0.011 0.000 1.985 342 A CA 2.564 54.593 52.037 -0.014 0.000 0.716 342 A CB -1.490 17.500 19.000 -0.015 0.000 1.237 342 A HN 1.977 nan 8.150 nan 0.000 0.371 343 K N 0.421 120.815 120.400 -0.010 0.000 2.002 343 K HA -0.104 4.216 4.320 0.000 0.000 0.209 343 K C 1.466 178.062 176.600 -0.008 0.000 1.048 343 K CA 2.420 58.702 56.287 -0.008 0.000 0.930 343 K CB -0.100 32.395 32.500 -0.008 0.000 0.714 343 K HN 0.801 nan 8.250 nan 0.000 0.438 344 E N -0.677 119.519 120.200 -0.006 0.000 3.085 344 E HA 0.041 4.391 4.350 0.000 0.000 0.179 344 E C -0.683 175.916 176.600 -0.002 0.000 0.951 344 E CA -0.192 56.205 56.400 -0.005 0.000 1.326 344 E CB -0.321 29.376 29.700 -0.005 0.000 1.043 344 E HN 0.254 nan 8.360 nan 0.000 0.457 345 M N 1.399 121.000 119.600 0.001 0.000 3.915 345 M HA -0.168 4.312 4.480 0.000 0.000 0.159 345 M C -1.707 174.598 176.300 0.008 0.000 1.506 345 M CA 0.006 55.311 55.300 0.008 0.000 1.055 345 M CB -0.417 32.188 32.600 0.008 0.000 1.336 345 M HN 0.382 nan 8.290 nan 0.000 0.327 346 L N 3.735 124.963 121.223 0.008 0.000 2.453 346 L HA 0.559 4.899 4.340 0.000 0.000 0.261 346 L C 0.226 177.104 176.870 0.013 0.000 1.179 346 L CA 0.476 55.320 54.840 0.007 0.000 0.813 346 L CB 0.964 43.024 42.059 0.001 0.000 1.110 346 L HN 0.533 nan 8.230 nan 0.000 0.466 347 K N 2.081 122.487 120.400 0.010 0.000 2.143 347 K HA 0.476 4.796 4.320 0.000 0.000 0.272 347 K C -1.416 175.194 176.600 0.016 0.000 1.001 347 K CA -0.366 55.930 56.287 0.015 0.000 0.915 347 K CB 1.156 33.663 32.500 0.011 0.000 1.047 347 K HN 0.407 nan 8.250 nan 0.000 0.458 348 V N 4.793 124.721 119.914 0.024 0.000 2.406 348 V HA 0.170 4.291 4.120 0.000 0.000 0.272 348 V C -0.484 175.623 176.094 0.023 0.000 1.043 348 V CA -0.772 61.543 62.300 0.026 0.000 0.915 348 V CB 1.108 32.955 31.823 0.041 0.000 0.988 348 V HN 0.785 nan 8.190 nan 0.000 0.466 349 D N 6.325 126.734 120.400 0.014 0.000 2.304 349 D HA 0.340 4.980 4.640 0.000 0.000 0.250 349 D C -2.077 174.231 176.300 0.014 0.000 1.107 349 D CA -1.229 52.778 54.000 0.011 0.000 0.885 349 D CB 1.043 41.844 40.800 0.001 0.000 1.192 349 D HN 0.321 nan 8.370 nan 0.000 0.436 350 P HA 0.015 nan 4.420 nan 0.000 0.271 350 P C 0.068 177.366 177.300 -0.004 0.000 1.238 350 P CA -0.400 62.718 63.100 0.030 0.000 0.794 350 P CB 0.537 32.263 31.700 0.043 0.000 0.959 351 I N 1.292 121.842 120.570 -0.034 0.000 2.671 351 I HA 0.005 4.176 4.170 0.000 0.000 0.285 351 I C 1.327 177.414 176.117 -0.049 0.000 1.148 351 I CA 0.444 61.688 61.300 -0.093 0.000 1.386 351 I CB -1.120 36.738 38.000 -0.237 0.000 1.406 351 I HN 0.392 nan 8.210 nan 0.000 0.540 352 R N 5.960 126.438 120.500 -0.037 0.000 2.441 352 R HA 0.509 4.849 4.340 0.000 0.000 0.284 352 R C -0.296 175.990 176.300 -0.023 0.000 1.070 352 R CA -0.511 55.576 56.100 -0.021 0.000 1.047 352 R CB 0.983 31.274 30.300 -0.014 0.000 1.016 352 R HN 0.661 nan 8.270 nan 0.000 0.477 353 A N 3.113 125.925 122.820 -0.014 0.000 2.407 353 A HA 0.184 4.504 4.320 0.000 0.000 0.248 353 A C 0.219 177.799 177.584 -0.007 0.000 1.082 353 A CA 0.030 52.059 52.037 -0.012 0.000 0.785 353 A CB 0.187 19.183 19.000 -0.006 0.000 1.020 353 A HN 1.023 nan 8.150 nan 0.000 0.489 354 K N -1.222 119.175 120.400 -0.004 0.000 3.426 354 K HA -0.213 4.108 4.320 0.000 0.000 0.315 354 K C 0.278 176.883 176.600 0.009 0.000 1.293 354 K CA 1.737 58.026 56.287 0.004 0.000 0.955 354 K CB -1.310 31.192 32.500 0.005 0.000 1.238 354 K HN 1.032 nan 8.250 nan 0.000 0.441 355 E N 0.358 120.561 120.200 0.005 0.000 2.318 355 E HA 0.301 4.651 4.350 0.000 0.000 0.265 355 E C -0.597 176.025 176.600 0.035 0.000 1.069 355 E CA -0.695 55.714 56.400 0.016 0.000 0.893 355 E CB 1.110 30.814 29.700 0.006 0.000 1.076 355 E HN -0.027 nan 8.360 nan 0.000 0.414 356 T N 2.792 117.388 114.554 0.071 0.000 2.743 356 T HA 0.363 4.713 4.350 0.000 0.000 0.293 356 T C -0.175 174.640 174.700 0.192 0.000 0.945 356 T CA -0.457 61.715 62.100 0.121 0.000 1.030 356 T CB 0.145 69.116 68.868 0.171 0.000 0.912 356 T HN 0.322 nan 8.240 nan 0.000 0.483 357 L N 2.692 123.993 121.223 0.130 0.000 2.286 357 L HA 0.677 5.017 4.340 0.000 0.000 0.265 357 L C -0.086 176.786 176.870 0.004 0.000 1.012 357 L CA -1.071 53.852 54.840 0.138 0.000 0.818 357 L CB 1.966 44.046 42.059 0.035 0.000 1.337 357 L HN 0.459 nan 8.230 nan 0.000 0.438 358 M N 3.244 122.793 119.600 -0.086 0.000 2.022 358 M HA 0.465 4.946 4.480 0.000 0.000 0.298 358 M C -1.715 174.482 176.300 -0.173 0.000 0.909 358 M CA -0.452 54.644 55.300 -0.340 0.000 0.914 358 M CB 0.751 32.813 32.600 -0.896 0.000 1.486 358 M HN 0.431 nan 8.290 nan 0.000 0.415 359 L N 2.886 124.030 121.223 -0.132 0.000 2.375 359 L HA 0.729 5.069 4.340 0.000 0.000 0.268 359 L C 0.138 176.956 176.870 -0.086 0.000 1.058 359 L CA -0.783 54.010 54.840 -0.079 0.000 0.803 359 L CB 1.724 43.745 42.059 -0.063 0.000 1.212 359 L HN 0.744 nan 8.230 nan 0.000 0.451 360 S N 0.306 115.979 115.700 -0.045 0.000 2.756 360 S HA 0.614 5.084 4.470 0.000 0.000 0.303 360 S C -0.813 173.787 174.600 -0.000 0.000 1.135 360 S CA -0.723 57.456 58.200 -0.035 0.000 1.066 360 S CB 1.288 64.473 63.200 -0.025 0.000 1.008 360 S HN 0.269 nan 8.310 nan 0.000 0.482 361 V N 4.097 124.011 119.914 0.001 0.000 2.439 361 V HA 0.736 4.856 4.120 0.000 0.000 0.282 361 V C 1.602 177.788 176.094 0.154 0.000 1.039 361 V CA 0.640 62.965 62.300 0.042 0.000 0.913 361 V CB 0.374 32.189 31.823 -0.012 0.000 0.983 361 V HN 1.419 nan 8.190 nan 0.000 0.460 362 G N 4.979 113.949 108.800 0.283 0.000 2.698 362 G HA2 -0.351 3.609 3.960 0.000 0.000 0.337 362 G HA3 -0.351 3.609 3.960 0.000 0.000 0.337 362 G C 0.902 175.859 174.900 0.095 0.000 1.286 362 G CA 0.793 46.071 45.100 0.296 0.000 1.000 362 G HN 1.564 nan 8.290 nan 0.000 0.547 363 S N -0.261 115.456 115.700 0.028 0.000 2.622 363 S HA 0.538 5.008 4.470 0.000 0.000 0.236 363 S C 0.439 175.022 174.600 -0.027 0.000 0.956 363 S CA 0.828 59.017 58.200 -0.019 0.000 0.971 363 S CB -0.023 63.139 63.200 -0.063 0.000 0.782 363 S HN 1.920 nan 8.310 nan 0.000 0.468 364 S N 1.222 116.916 115.700 -0.011 0.000 2.707 364 S HA 0.530 5.000 4.470 0.000 0.000 0.312 364 S C -0.311 174.253 174.600 -0.059 0.000 1.116 364 S CA -0.549 57.624 58.200 -0.044 0.000 1.078 364 S CB 1.001 64.171 63.200 -0.051 0.000 0.997 364 S HN 0.389 nan 8.310 nan 0.000 0.477 365 T N 0.214 114.718 114.554 -0.082 0.000 2.832 365 T HA 0.521 4.871 4.350 0.000 0.000 0.313 365 T C -0.154 174.456 174.700 -0.150 0.000 1.035 365 T CA -0.454 61.578 62.100 -0.114 0.000 0.950 365 T CB 0.642 69.434 68.868 -0.127 0.000 0.984 365 T HN 0.690 nan 8.240 nan 0.000 0.486 366 T N 5.322 119.785 114.554 -0.151 0.000 2.807 366 T HA 0.588 4.938 4.350 0.000 0.000 0.279 366 T C -0.035 174.563 174.700 -0.170 0.000 0.993 366 T CA -1.112 60.892 62.100 -0.161 0.000 0.970 366 T CB 0.516 69.287 68.868 -0.162 0.000 0.950 366 T HN 0.782 nan 8.240 nan 0.000 0.441 367 L N 3.029 124.141 121.223 -0.185 0.000 2.357 367 L HA 1.005 5.345 4.340 0.000 0.000 0.273 367 L C 0.212 177.033 176.870 -0.081 0.000 1.080 367 L CA -0.697 54.037 54.840 -0.177 0.000 0.803 367 L CB 0.887 42.789 42.059 -0.262 0.000 1.174 367 L HN 0.776 nan 8.230 nan 0.000 0.443 368 G N 2.547 111.317 108.800 -0.050 0.000 2.866 368 G HA2 0.657 4.618 3.960 0.000 0.000 0.289 368 G HA3 0.657 4.618 3.960 0.000 0.000 0.289 368 G C -1.245 173.663 174.900 0.012 0.000 1.396 368 G CA -0.984 44.112 45.100 -0.008 0.000 0.848 368 G HN 0.636 nan 8.290 nan 0.000 0.515 369 I N 1.191 121.774 120.570 0.022 0.000 2.354 369 I HA 0.325 4.495 4.170 0.000 0.000 0.292 369 I C 0.607 176.728 176.117 0.007 0.000 0.989 369 I CA -1.092 60.221 61.300 0.022 0.000 1.188 369 I CB 1.829 39.847 38.000 0.030 0.000 1.342 369 I HN 0.385 nan 8.210 nan 0.000 0.457 370 V N 2.571 122.481 119.914 -0.006 0.000 2.740 370 V HA 0.244 4.364 4.120 0.000 0.000 0.303 370 V C 0.899 176.987 176.094 -0.010 0.000 1.054 370 V CA 0.513 62.800 62.300 -0.022 0.000 1.106 370 V CB 0.929 32.725 31.823 -0.045 0.000 0.957 370 V HN 1.002 nan 8.190 nan 0.000 0.486 371 T N -0.228 114.320 114.554 -0.009 0.000 2.975 371 T HA 0.345 4.695 4.350 0.000 0.000 0.261 371 T C 0.629 175.327 174.700 -0.003 0.000 0.984 371 T CA 0.497 62.596 62.100 -0.002 0.000 0.911 371 T CB 0.146 69.017 68.868 0.005 0.000 1.127 371 T HN 1.258 nan 8.240 nan 0.000 0.514 372 S N 0.160 115.856 115.700 -0.008 0.000 2.533 372 S HA 0.672 5.142 4.470 0.000 0.000 0.271 372 S C -1.887 172.710 174.600 -0.004 0.000 1.143 372 S CA -0.480 57.719 58.200 -0.002 0.000 0.891 372 S CB 1.937 65.139 63.200 0.004 0.000 1.105 372 S HN 0.286 nan 8.310 nan 0.000 0.468 373 V N 4.462 124.381 119.914 0.008 0.000 2.686 373 V HA 0.670 4.790 4.120 0.000 0.000 0.306 373 V C -0.448 175.679 176.094 0.055 0.000 1.065 373 V CA -0.698 61.617 62.300 0.025 0.000 0.894 373 V CB 1.894 33.720 31.823 0.004 0.000 1.004 373 V HN 0.945 nan 8.190 nan 0.000 0.424 374 K N 1.735 122.200 120.400 0.109 0.000 2.430 374 K HA 0.497 4.817 4.320 0.000 0.000 0.268 374 K C 0.550 177.219 176.600 0.114 0.000 1.043 374 K CA -0.970 55.366 56.287 0.081 0.000 0.899 374 K CB 2.431 34.959 32.500 0.047 0.000 1.472 374 K HN 0.433 nan 8.250 nan 0.000 0.451 375 K N 0.707 121.118 120.400 0.019 0.000 2.057 375 K HA -0.172 4.149 4.320 0.000 0.000 0.207 375 K C 0.091 176.526 176.600 -0.275 0.000 1.049 375 K CA 2.299 58.552 56.287 -0.057 0.000 0.931 375 K CB 0.099 32.556 32.500 -0.072 0.000 0.714 375 K HN 0.437 nan 8.250 nan 0.000 0.440 376 D N -0.872 119.369 120.400 -0.265 0.000 2.454 376 D HA 0.098 4.739 4.640 0.000 0.000 0.214 376 D C -0.494 175.620 176.300 -0.310 0.000 1.088 376 D CA 0.199 53.918 54.000 -0.469 0.000 0.855 376 D CB 0.835 41.469 40.800 -0.277 0.000 1.025 376 D HN 0.124 nan 8.370 nan 0.000 0.502 377 E N 0.543 120.763 120.200 0.033 0.000 2.293 377 E HA 0.563 4.913 4.350 0.000 0.000 0.270 377 E C -0.677 176.076 176.600 0.255 0.000 0.879 377 E CA -0.783 55.727 56.400 0.183 0.000 0.756 377 E CB 2.809 32.539 29.700 0.050 0.000 1.208 377 E HN 0.073 nan 8.360 nan 0.000 0.428 378 I N -1.840 118.827 120.570 0.162 0.000 2.934 378 I HA 0.586 4.757 4.170 0.000 0.000 0.306 378 I C -0.881 175.232 176.117 -0.006 0.000 1.110 378 I CA -0.892 60.414 61.300 0.009 0.000 1.019 378 I CB 2.313 40.204 38.000 -0.182 0.000 1.227 378 I HN 0.338 nan 8.210 nan 0.000 0.434 379 E N 3.289 123.478 120.200 -0.018 0.000 2.224 379 E HA 0.608 4.958 4.350 0.000 0.000 0.265 379 E C -1.438 175.151 176.600 -0.018 0.000 0.878 379 E CA -0.823 55.570 56.400 -0.012 0.000 0.759 379 E CB 3.045 32.745 29.700 -0.000 0.000 1.164 379 E HN 0.438 nan 8.360 nan 0.000 0.414 380 V N 2.302 122.206 119.914 -0.016 0.000 2.628 380 V HA 0.244 4.364 4.120 0.000 0.000 0.306 380 V C -0.200 175.901 176.094 0.012 0.000 1.045 380 V CA -0.797 61.495 62.300 -0.012 0.000 0.905 380 V CB 1.904 33.709 31.823 -0.030 0.000 0.997 380 V HN 0.680 nan 8.190 nan 0.000 0.436 381 E N 4.009 124.224 120.200 0.025 0.000 2.046 381 E HA 0.426 4.776 4.350 0.000 0.000 0.279 381 E C -0.934 175.706 176.600 0.067 0.000 0.989 381 E CA -0.471 55.965 56.400 0.059 0.000 0.798 381 E CB 0.708 30.440 29.700 0.054 0.000 1.086 381 E HN 0.573 nan 8.360 nan 0.000 0.399 382 L N 4.160 125.431 121.223 0.081 0.000 2.439 382 L HA 0.227 4.567 4.340 0.000 0.000 0.269 382 L C 1.748 178.685 176.870 0.112 0.000 1.179 382 L CA -0.113 54.754 54.840 0.044 0.000 0.828 382 L CB 0.626 42.660 42.059 -0.041 0.000 1.106 382 L HN 0.602 nan 8.230 nan 0.000 0.467 383 R N 1.105 121.634 120.500 0.048 0.000 2.090 383 R HA 0.033 4.373 4.340 0.000 0.000 0.228 383 R C 0.707 177.060 176.300 0.089 0.000 1.110 383 R CA 0.956 57.110 56.100 0.090 0.000 0.973 383 R CB 0.274 30.593 30.300 0.032 0.000 0.869 383 R HN 0.583 nan 8.270 nan 0.000 0.440 384 R N 0.375 120.806 120.500 -0.114 0.000 2.744 384 R HA 0.377 4.717 4.340 0.000 0.000 0.279 384 R C -2.715 173.174 176.300 -0.685 0.000 0.977 384 R CA -2.392 53.469 56.100 -0.398 0.000 0.906 384 R CB 2.026 32.148 30.300 -0.297 0.000 1.197 384 R HN -0.077 nan 8.270 nan 0.000 0.463 385 P HA 0.090 nan 4.420 nan 0.000 0.274 385 P C -0.858 176.055 177.300 -0.646 0.000 1.246 385 P CA -0.280 62.134 63.100 -1.143 0.000 0.795 385 P CB 1.127 31.824 31.700 -1.672 0.000 1.006 386 V N -3.041 116.623 119.914 -0.418 0.000 2.789 386 V HA 0.799 4.919 4.120 0.000 0.000 0.311 386 V C -0.321 175.673 176.094 -0.166 0.000 1.073 386 V CA -1.465 60.684 62.300 -0.251 0.000 0.921 386 V CB 1.326 33.046 31.823 -0.173 0.000 1.009 386 V HN 0.669 nan 8.190 nan 0.000 0.426 387 A N 3.520 126.298 122.820 -0.070 0.000 2.302 387 A HA 0.674 4.995 4.320 0.000 0.000 0.295 387 A C -0.105 177.525 177.584 0.076 0.000 1.235 387 A CA -0.397 51.653 52.037 0.021 0.000 0.876 387 A CB 0.414 19.461 19.000 0.078 0.000 1.133 387 A HN 1.359 nan 8.150 nan 0.000 0.533 388 V N 4.842 124.735 119.914 -0.035 0.000 2.284 388 V HA 0.047 4.167 4.120 0.000 0.000 0.260 388 V C 0.854 176.872 176.094 -0.128 0.000 1.084 388 V CA -0.324 61.853 62.300 -0.205 0.000 0.894 388 V CB -0.706 30.999 31.823 -0.196 0.000 1.119 388 V HN 1.152 nan 8.190 nan 0.000 0.484 389 W N 3.261 124.545 121.300 -0.026 0.000 2.467 389 W HA 0.184 4.844 4.660 0.000 0.000 0.275 389 W C 0.831 177.344 176.519 -0.009 0.000 1.239 389 W CA 0.618 57.954 57.345 -0.016 0.000 1.266 389 W CB -0.142 29.311 29.460 -0.012 0.000 1.112 389 W HN 0.486 nan 8.180 nan 0.000 0.576 390 S N -0.513 114.895 115.700 -0.486 0.000 2.704 390 S HA 0.281 4.751 4.470 0.000 0.000 0.296 390 S C 0.649 175.083 174.600 -0.276 0.000 1.138 390 S CA -0.584 57.471 58.200 -0.242 0.000 0.875 390 S CB 1.157 64.261 63.200 -0.160 0.000 1.151 390 S HN 0.131 nan 8.310 nan 0.000 0.500 391 N N 1.169 119.780 118.700 -0.150 0.000 2.124 391 N HA 0.060 4.800 4.740 0.000 0.000 0.188 391 N C -0.156 175.270 175.510 -0.140 0.000 1.045 391 N CA 0.880 53.853 53.050 -0.127 0.000 0.846 391 N CB -0.434 38.014 38.487 -0.064 0.000 1.020 391 N HN 0.591 nan 8.380 nan 0.000 0.432 392 N N 1.657 120.299 118.700 -0.096 0.000 3.298 392 N HA 0.167 4.907 4.740 0.000 0.000 0.292 392 N C -0.733 174.727 175.510 -0.084 0.000 1.271 392 N CA 0.004 53.015 53.050 -0.065 0.000 1.184 392 N CB 0.156 38.640 38.487 -0.006 0.000 1.452 392 N HN 0.341 nan 8.380 nan 0.000 0.534 393 I N 1.121 121.575 120.570 -0.194 0.000 2.379 393 I HA 0.091 4.261 4.170 0.000 0.000 0.290 393 I C 1.274 177.340 176.117 -0.085 0.000 1.063 393 I CA -0.345 60.809 61.300 -0.244 0.000 1.351 393 I CB 0.616 38.232 38.000 -0.640 0.000 1.410 393 I HN 0.007 nan 8.210 nan 0.000 0.505 394 R N 4.372 124.877 120.500 0.009 0.000 2.570 394 R HA 0.152 4.492 4.340 0.000 0.000 0.277 394 R C -0.126 176.227 176.300 0.089 0.000 1.039 394 R CA 0.349 56.510 56.100 0.101 0.000 1.065 394 R CB 0.752 31.079 30.300 0.045 0.000 0.964 394 R HN 0.645 nan 8.270 nan 0.000 0.428 395 T N 2.210 116.854 114.554 0.150 0.000 2.907 395 T HA 0.450 4.800 4.350 0.000 0.000 0.292 395 T C -1.195 173.600 174.700 0.158 0.000 1.043 395 T CA -0.665 61.495 62.100 0.100 0.000 1.003 395 T CB 1.424 70.316 68.868 0.040 0.000 1.084 395 T HN 0.253 nan 8.240 nan 0.000 0.483 396 V N 5.818 125.793 119.914 0.101 0.000 2.357 396 V HA 0.458 4.578 4.120 0.000 0.000 0.284 396 V C -0.219 175.919 176.094 0.073 0.000 1.018 396 V CA -0.979 61.392 62.300 0.118 0.000 0.841 396 V CB 1.158 33.032 31.823 0.084 0.000 0.991 396 V HN 0.717 nan 8.190 nan 0.000 0.437 397 I N 3.827 124.447 120.570 0.083 0.000 2.395 397 I HA 0.509 4.680 4.170 0.000 0.000 0.289 397 I C 0.424 176.587 176.117 0.076 0.000 1.023 397 I CA 0.208 61.533 61.300 0.043 0.000 1.350 397 I CB 0.965 38.967 38.000 0.003 0.000 1.409 397 I HN 0.538 nan 8.210 nan 0.000 0.507 398 S N 6.224 121.980 115.700 0.095 0.000 2.547 398 S HA 0.639 5.109 4.470 0.000 0.000 0.281 398 S C -0.303 174.490 174.600 0.321 0.000 1.118 398 S CA -0.803 57.509 58.200 0.187 0.000 0.947 398 S CB 2.877 66.198 63.200 0.203 0.000 1.053 398 S HN 0.617 nan 8.310 nan 0.000 0.482 399 R N 1.106 121.771 120.500 0.275 0.000 2.832 399 R HA 0.381 4.721 4.340 0.000 0.000 0.271 399 R C -0.602 175.715 176.300 0.029 0.000 0.996 399 R CA -0.629 55.604 56.100 0.221 0.000 0.977 399 R CB 1.042 31.386 30.300 0.074 0.000 1.168 399 R HN 0.641 nan 8.270 nan 0.000 0.482 400 Q N 3.635 123.201 119.800 -0.390 0.000 3.181 400 Q HA 0.128 4.468 4.340 0.000 0.000 0.293 400 Q C -0.575 175.214 176.000 -0.352 0.000 1.406 400 Q CA -0.363 55.005 55.803 -0.726 0.000 1.026 400 Q CB 0.094 28.031 28.738 -1.335 0.000 1.630 400 Q HN 0.423 nan 8.270 nan 0.000 0.553 401 I N 1.594 122.051 120.570 -0.188 0.000 2.588 401 I HA 0.264 4.434 4.170 0.000 0.000 0.283 401 I C 0.464 176.500 176.117 -0.134 0.000 1.119 401 I CA 1.230 62.458 61.300 -0.120 0.000 1.419 401 I CB 0.374 38.341 38.000 -0.054 0.000 1.394 401 I HN 0.763 nan 8.210 nan 0.000 0.562 402 A N 5.287 128.039 122.820 -0.114 0.000 5.457 402 A HA -0.166 4.155 4.320 0.000 0.000 0.283 402 A C 1.270 178.764 177.584 -0.151 0.000 2.087 402 A CA 0.885 52.859 52.037 -0.105 0.000 0.716 402 A CB -2.292 16.661 19.000 -0.079 0.000 1.174 402 A HN 1.544 nan 8.150 nan 0.000 0.356 403 G N -1.466 107.249 108.800 -0.141 0.000 2.848 403 G HA2 0.394 4.354 3.960 0.000 0.000 0.213 403 G HA3 0.394 4.354 3.960 0.000 0.000 0.213 403 G C 0.579 175.356 174.900 -0.205 0.000 1.101 403 G CA 0.592 45.593 45.100 -0.165 0.000 0.778 403 G HN 0.668 nan 8.290 nan 0.000 0.536 404 R N -0.222 120.184 120.500 -0.156 0.000 2.459 404 R HA 0.221 4.561 4.340 0.000 0.000 0.281 404 R C -1.065 175.142 176.300 -0.155 0.000 1.050 404 R CA -1.000 55.041 56.100 -0.099 0.000 1.055 404 R CB 0.803 31.091 30.300 -0.018 0.000 1.045 404 R HN 0.217 nan 8.270 nan 0.000 0.495 405 W N 3.314 124.617 121.300 0.004 0.000 2.481 405 W HA 0.236 4.896 4.660 0.000 0.000 0.320 405 W C 0.557 177.082 176.519 0.009 0.000 1.209 405 W CA -0.072 57.277 57.345 0.006 0.000 1.400 405 W CB 0.483 29.947 29.460 0.007 0.000 1.361 405 W HN 0.172 nan 8.180 nan 0.000 0.456 406 R N 3.197 123.809 120.500 0.187 0.000 2.589 406 R HA 0.512 4.853 4.340 0.000 0.000 0.293 406 R C -0.057 176.329 176.300 0.143 0.000 0.963 406 R CA -1.190 54.989 56.100 0.131 0.000 0.905 406 R CB 1.570 31.907 30.300 0.061 0.000 1.144 406 R HN 0.319 nan 8.270 nan 0.000 0.459 407 M N 4.019 123.693 119.600 0.124 0.000 2.269 407 M HA 0.106 4.586 4.480 0.000 0.000 0.350 407 M C 1.024 177.390 176.300 0.109 0.000 1.429 407 M CA 0.723 56.094 55.300 0.119 0.000 1.063 407 M CB 0.281 32.947 32.600 0.110 0.000 1.841 407 M HN 0.698 nan 8.290 nan 0.000 0.455 408 I N -0.947 119.687 120.570 0.107 0.000 4.147 408 I HA 0.659 4.829 4.170 0.000 0.000 0.329 408 I C 0.420 176.601 176.117 0.106 0.000 1.424 408 I CA -0.307 61.049 61.300 0.093 0.000 1.127 408 I CB 0.426 38.467 38.000 0.068 0.000 1.128 408 I HN 0.776 nan 8.210 nan 0.000 0.417 409 G N 0.944 109.825 108.800 0.135 0.000 2.368 409 G HA2 0.132 4.092 3.960 0.000 0.000 0.302 409 G HA3 0.132 4.092 3.960 0.000 0.000 0.302 409 G C -1.729 173.307 174.900 0.225 0.000 1.329 409 G CA -0.388 44.816 45.100 0.174 0.000 0.935 409 G HN 0.403 nan 8.290 nan 0.000 0.590 410 W N -0.331 120.996 121.300 0.045 0.000 3.583 410 W HA 0.901 5.561 4.660 0.000 0.000 0.376 410 W C 0.274 176.829 176.519 0.061 0.000 1.282 410 W CA -0.885 56.475 57.345 0.025 0.000 0.959 410 W CB 0.910 30.361 29.460 -0.015 0.000 1.968 410 W HN 2.026 nan 8.180 nan 0.000 0.640 411 G N -0.175 108.707 108.800 0.137 0.000 2.355 411 G HA2 0.436 4.396 3.960 0.000 0.000 0.296 411 G HA3 0.436 4.396 3.960 0.000 0.000 0.296 411 G C -2.675 172.300 174.900 0.124 0.000 1.507 411 G CA -1.195 43.794 45.100 -0.185 0.000 0.823 411 G HN 0.512 nan 8.290 nan 0.000 0.569 412 L N 0.785 122.014 121.223 0.011 0.000 2.322 412 L HA 0.558 4.898 4.340 0.000 0.000 0.281 412 L C 0.370 177.237 176.870 -0.006 0.000 1.014 412 L CA -1.200 53.684 54.840 0.073 0.000 0.815 412 L CB 1.972 44.088 42.059 0.094 0.000 1.247 412 L HN 0.356 nan 8.230 nan 0.000 0.421 413 V N 3.032 122.925 119.914 -0.035 0.000 2.572 413 V HA 0.099 4.219 4.120 0.000 0.000 0.291 413 V C 0.161 176.214 176.094 -0.068 0.000 1.039 413 V CA -0.467 61.791 62.300 -0.069 0.000 1.055 413 V CB 0.847 32.595 31.823 -0.125 0.000 0.969 413 V HN 0.603 nan 8.190 nan 0.000 0.482 414 E N 5.790 125.958 120.200 -0.053 0.000 2.175 414 E HA 0.687 5.038 4.350 0.000 0.000 0.278 414 E C -0.251 176.322 176.600 -0.045 0.000 0.969 414 E CA -0.264 56.110 56.400 -0.044 0.000 0.796 414 E CB 2.254 31.936 29.700 -0.029 0.000 1.104 414 E HN 0.690 nan 8.360 nan 0.000 0.395 415 I N 0.000 120.544 120.570 -0.044 0.000 2.984 415 I HA 0.000 4.170 4.170 0.000 0.000 0.288 415 I CA 0.000 61.278 61.300 -0.037 0.000 1.566 415 I CB 0.000 37.970 38.000 -0.051 0.000 1.214 415 I HN 0.000 nan 8.210 nan 0.000 0.494