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 2wiu_1_C DATA FIRST_RESID 2 DATA SEQUENCE PKLVTWMNNQ RVGELTKLAN GAHTFKYAPE WLASRYARPL SLSLPLQRGN DATA SEQUENCE ITSDAVFNFF DNLLPDSPIV RDRIVKRYHA KSRQPFDLLS EIGRDSVGAV DATA SEQUENCE TLIPEDXXXX XXXXXXXXLT EARLEEVLTA XXXXXXXXMI REENDFRISV DATA SEQUENCE AGAQEKTALL RIGNDWCIPK GITPTTHIIK LPIGEIRQPN ATLDLSQSVD DATA SEQUENCE NEYYCLLLAK ELGLNVPDAE IIKXXXVRAL AVERFDRRWN AERTVLLRLP DATA SEQUENCE QEDMCQTFGL PXXXXXXXXG GPGIARIMAF LMGSSEALKD RYDFMKFQVF DATA SEQUENCE QWLIGATDGH AKNFSVFIQA GGSYRLTPFY DIISAFPVLG GTGIHISDLK DATA SEQUENCE LAMGLNXXXX KKTAIDKIYP RHFLATAKVL RFPEVQMHEI LSDFARMIPA DATA SEQUENCE ALDNVKTSLP TDFPENVVTA VESNVLRLHG RLSREY 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 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.264 177.300 -0.059 0.000 1.155 2 P CA 0.000 63.007 63.100 -0.155 0.000 0.800 2 P CB 0.000 31.684 31.700 -0.027 0.000 0.726 3 K N 0.075 120.577 120.400 0.170 0.000 2.371 3 K HA 0.738 5.058 4.320 0.001 0.000 0.251 3 K C -0.871 175.834 176.600 0.175 0.000 0.934 3 K CA -0.680 55.709 56.287 0.170 0.000 0.798 3 K CB 2.079 34.587 32.500 0.012 0.000 1.204 3 K HN 0.253 nan 8.250 nan 0.000 0.427 4 L N 2.681 123.939 121.223 0.058 0.000 2.333 4 L HA 0.397 4.738 4.340 0.001 0.000 0.280 4 L C -0.534 176.287 176.870 -0.083 0.000 1.004 4 L CA -1.259 53.514 54.840 -0.111 0.000 0.820 4 L CB 1.886 43.743 42.059 -0.337 0.000 1.247 4 L HN 0.292 nan 8.230 nan 0.000 0.416 5 V N 2.000 121.881 119.914 -0.056 0.000 2.508 5 V HA 0.155 4.275 4.120 0.001 0.000 0.281 5 V C 0.434 176.450 176.094 -0.130 0.000 1.041 5 V CA -0.217 61.998 62.300 -0.141 0.000 1.016 5 V CB 0.976 32.739 31.823 -0.100 0.000 0.984 5 V HN 0.738 nan 8.190 nan 0.000 0.478 6 T N 5.121 119.560 114.554 -0.192 0.000 2.733 6 T HA 0.404 4.754 4.350 0.001 0.000 0.294 6 T C -0.591 173.945 174.700 -0.274 0.000 0.956 6 T CA -0.175 61.888 62.100 -0.061 0.000 0.987 6 T CB 0.242 69.225 68.868 0.193 0.000 0.920 6 T HN 0.605 nan 8.240 nan 0.000 0.470 7 W N 2.546 123.824 121.300 -0.037 0.000 2.578 7 W HA 0.698 5.359 4.660 0.001 0.000 0.346 7 W C 0.088 176.543 176.519 -0.105 0.000 1.075 7 W CA -1.115 56.183 57.345 -0.079 0.000 1.233 7 W CB 1.397 30.828 29.460 -0.048 0.000 1.358 7 W HN 0.330 nan 8.180 nan 0.000 0.574 8 M N 3.645 123.311 119.600 0.110 0.000 2.067 8 M HA 0.221 4.702 4.480 0.001 0.000 0.286 8 M C -0.439 175.898 176.300 0.061 0.000 0.922 8 M CA -0.236 55.087 55.300 0.038 0.000 0.937 8 M CB 0.661 33.221 32.600 -0.066 0.000 1.550 8 M HN 0.530 nan 8.290 nan 0.000 0.433 9 N N 3.349 122.073 118.700 0.040 0.000 2.727 9 N HA -0.208 4.532 4.740 0.001 0.000 0.251 9 N C -0.565 174.949 175.510 0.007 0.000 1.040 9 N CA 0.928 53.974 53.050 -0.006 0.000 0.712 9 N CB -1.147 37.311 38.487 -0.049 0.000 0.912 9 N HN 0.988 nan 8.380 nan 0.000 0.545 10 N N -1.887 116.824 118.700 0.019 0.000 2.753 10 N HA -0.266 4.474 4.740 0.001 0.000 0.251 10 N C 0.003 175.639 175.510 0.210 0.000 1.097 10 N CA 1.494 54.521 53.050 -0.039 0.000 0.786 10 N CB -0.531 37.890 38.487 -0.109 0.000 1.137 10 N HN 0.766 nan 8.380 nan 0.000 0.566 11 Q N 0.717 120.722 119.800 0.341 0.000 2.337 11 Q HA 0.416 4.756 4.340 0.001 0.000 0.266 11 Q C -0.424 175.813 176.000 0.394 0.000 1.023 11 Q CA -0.721 55.313 55.803 0.384 0.000 0.829 11 Q CB 1.360 30.239 28.738 0.236 0.000 1.306 11 Q HN 0.211 nan 8.270 nan 0.000 0.449 12 R N 3.393 124.008 120.500 0.192 0.000 2.234 12 R HA 0.276 4.617 4.340 0.001 0.000 0.324 12 R C -0.478 175.647 176.300 -0.291 0.000 1.054 12 R CA -0.034 55.805 56.100 -0.435 0.000 0.912 12 R CB 0.608 30.535 30.300 -0.621 0.000 1.030 12 R HN 0.722 nan 8.270 nan 0.000 0.455 13 V N 3.357 122.965 119.914 -0.510 0.000 2.788 13 V HA 0.349 4.470 4.120 0.001 0.000 0.241 13 V C 1.028 176.999 176.094 -0.205 0.000 1.083 13 V CA 1.186 63.094 62.300 -0.654 0.000 1.103 13 V CB 0.502 31.825 31.823 -0.834 0.000 0.800 13 V HN 1.041 nan 8.190 nan 0.000 0.476 14 G N -0.539 108.115 108.800 -0.242 0.000 2.399 14 G HA2 0.342 4.302 3.960 0.001 0.000 0.256 14 G HA3 0.342 4.302 3.960 0.001 0.000 0.256 14 G C -1.779 172.804 174.900 -0.527 0.000 1.236 14 G CA -0.566 44.320 45.100 -0.357 0.000 0.914 14 G HN 0.149 nan 8.290 nan 0.000 0.482 15 E N -0.898 118.738 120.200 -0.941 0.000 2.331 15 E HA 0.509 4.859 4.350 0.001 0.000 0.275 15 E C -1.597 174.590 176.600 -0.689 0.000 0.895 15 E CA -0.784 55.256 56.400 -0.599 0.000 0.753 15 E CB 3.017 32.488 29.700 -0.381 0.000 1.216 15 E HN 0.461 nan 8.360 nan 0.000 0.434 16 L N 1.889 122.969 121.223 -0.239 0.000 2.282 16 L HA 0.444 4.784 4.340 0.001 0.000 0.288 16 L C -0.883 175.964 176.870 -0.038 0.000 1.033 16 L CA 0.238 55.020 54.840 -0.097 0.000 0.807 16 L CB 1.558 43.479 42.059 -0.230 0.000 1.209 16 L HN 0.417 nan 8.230 nan 0.000 0.423 17 T N 4.923 119.433 114.554 -0.073 0.000 2.794 17 T HA 0.327 4.677 4.350 0.001 0.000 0.280 17 T C -0.531 174.007 174.700 -0.269 0.000 0.987 17 T CA -0.557 61.471 62.100 -0.120 0.000 0.993 17 T CB 1.044 69.837 68.868 -0.126 0.000 0.939 17 T HN 0.492 nan 8.240 nan 0.000 0.449 18 K N 4.682 124.723 120.400 -0.599 0.000 2.281 18 K HA 0.436 4.757 4.320 0.001 0.000 0.272 18 K C -0.096 176.235 176.600 -0.449 0.000 1.048 18 K CA -0.516 55.323 56.287 -0.747 0.000 0.898 18 K CB 0.502 32.192 32.500 -1.350 0.000 1.128 18 K HN 0.538 nan 8.250 nan 0.000 0.460 19 L N 2.328 123.398 121.223 -0.256 0.000 2.475 19 L HA 0.141 4.481 4.340 0.001 0.000 0.212 19 L C 1.687 178.473 176.870 -0.141 0.000 1.204 19 L CA 0.040 54.785 54.840 -0.159 0.000 0.843 19 L CB 0.291 42.299 42.059 -0.084 0.000 1.360 19 L HN 0.793 nan 8.230 nan 0.000 0.527 20 A N 0.511 123.277 122.820 -0.091 0.000 1.930 20 A HA -0.119 4.201 4.320 0.001 0.000 0.215 20 A C 1.486 179.038 177.584 -0.054 0.000 1.176 20 A CA 1.335 53.328 52.037 -0.074 0.000 0.632 20 A CB -0.642 18.326 19.000 -0.053 0.000 0.819 20 A HN 0.873 nan 8.150 nan 0.000 0.445 21 N N -0.689 117.988 118.700 -0.038 0.000 2.362 21 N HA 0.230 4.971 4.740 0.001 0.000 0.204 21 N C 0.991 176.501 175.510 -0.001 0.000 1.166 21 N CA 1.013 54.053 53.050 -0.018 0.000 0.831 21 N CB -0.304 38.176 38.487 -0.011 0.000 1.008 21 N HN 0.722 nan 8.380 nan 0.000 0.472 22 G N -1.008 107.783 108.800 -0.014 0.000 2.205 22 G HA2 -0.278 3.683 3.960 0.001 0.000 0.261 22 G HA3 -0.278 3.683 3.960 0.001 0.000 0.261 22 G C 0.331 175.316 174.900 0.141 0.000 0.980 22 G CA 0.205 45.327 45.100 0.036 0.000 0.632 22 G HN 0.858 nan 8.290 nan 0.000 0.533 23 A N 0.395 123.276 122.820 0.102 0.000 2.540 23 A HA 0.511 4.831 4.320 0.001 0.000 0.239 23 A C 0.265 177.967 177.584 0.195 0.000 1.061 23 A CA 0.452 52.596 52.037 0.178 0.000 0.758 23 A CB 0.013 19.062 19.000 0.082 0.000 0.991 23 A HN 0.610 nan 8.150 nan 0.000 0.502 24 H N 0.737 119.879 119.070 0.120 0.000 2.489 24 H HA 0.616 5.172 4.556 0.001 0.000 0.322 24 H C 0.642 176.042 175.328 0.120 0.000 1.091 24 H CA 0.630 56.754 56.048 0.126 0.000 1.291 24 H CB 1.455 31.364 29.762 0.246 0.000 1.436 24 H HN 0.818 nan 8.280 nan 0.000 0.480 25 T N 0.009 114.658 114.554 0.158 0.000 2.883 25 T HA 0.623 4.973 4.350 0.001 0.000 0.301 25 T C -1.168 173.626 174.700 0.157 0.000 1.158 25 T CA -0.921 61.265 62.100 0.144 0.000 1.007 25 T CB 1.652 70.554 68.868 0.057 0.000 1.186 25 T HN 0.354 nan 8.240 nan 0.000 0.499 26 F N 0.353 120.304 119.950 0.002 0.000 2.588 26 F HA 0.766 5.293 4.527 0.001 0.000 0.310 26 F C -1.017 174.710 175.800 -0.122 0.000 1.082 26 F CA -0.787 57.172 58.000 -0.068 0.000 0.929 26 F CB 1.989 40.964 39.000 -0.042 0.000 1.254 26 F HN 0.780 nan 8.300 nan 0.000 0.455 27 K N 4.616 124.490 120.400 -0.877 0.000 2.535 27 K HA 0.291 4.612 4.320 0.001 0.000 0.250 27 K C -1.745 174.477 176.600 -0.631 0.000 0.948 27 K CA -0.688 55.324 56.287 -0.458 0.000 0.796 27 K CB 1.338 33.662 32.500 -0.293 0.000 1.216 27 K HN 0.635 nan 8.250 nan 0.000 0.432 28 Y N 1.331 121.622 120.300 -0.015 0.000 2.620 28 Y HA 0.068 4.618 4.550 0.001 0.000 0.330 28 Y C 0.988 176.897 175.900 0.015 0.000 1.186 28 Y CA 0.220 58.378 58.100 0.097 0.000 1.467 28 Y CB 0.578 39.211 38.460 0.288 0.000 1.262 28 Y HN 0.560 nan 8.280 nan 0.000 0.550 29 A N 6.900 129.813 122.820 0.156 0.000 2.531 29 A HA 0.104 4.425 4.320 0.001 0.000 0.236 29 A C -1.298 176.407 177.584 0.201 0.000 1.062 29 A CA -1.035 51.071 52.037 0.114 0.000 0.760 29 A CB -0.103 18.936 19.000 0.064 0.000 0.995 29 A HN 0.650 nan 8.150 nan 0.000 0.501 30 P HA -0.145 nan 4.420 nan 0.000 0.225 30 P C 0.898 178.263 177.300 0.107 0.000 1.156 30 P CA 1.235 64.401 63.100 0.110 0.000 0.787 30 P CB 0.134 31.874 31.700 0.066 0.000 0.802 31 E N -1.004 119.268 120.200 0.119 0.000 2.482 31 E HA -0.153 4.197 4.350 0.001 0.000 0.196 31 E C 1.833 178.554 176.600 0.202 0.000 1.047 31 E CA 0.283 56.758 56.400 0.125 0.000 0.869 31 E CB -1.050 28.720 29.700 0.115 0.000 0.836 31 E HN 0.449 nan 8.360 nan 0.000 0.520 32 W N 1.614 122.942 121.300 0.046 0.000 2.441 32 W HA 0.011 4.671 4.660 0.001 0.000 0.302 32 W C 1.474 178.013 176.519 0.034 0.000 1.191 32 W CA 0.413 57.795 57.345 0.063 0.000 1.327 32 W CB 0.009 29.535 29.460 0.111 0.000 1.128 32 W HN -0.012 nan 8.180 nan 0.000 0.522 33 L N 1.270 122.520 121.223 0.044 0.000 2.633 33 L HA -0.042 4.298 4.340 0.001 0.000 0.235 33 L C 1.858 178.627 176.870 -0.169 0.000 1.163 33 L CA 0.841 55.601 54.840 -0.133 0.000 0.859 33 L CB -0.670 41.383 42.059 -0.009 0.000 0.973 33 L HN 0.021 nan 8.230 nan 0.000 0.451 34 A N -1.294 121.447 122.820 -0.132 0.000 2.545 34 A HA 0.235 4.555 4.320 0.001 0.000 0.263 34 A C 0.951 178.462 177.584 -0.121 0.000 1.202 34 A CA -0.145 51.830 52.037 -0.103 0.000 0.959 34 A CB 0.185 19.165 19.000 -0.034 0.000 1.124 34 A HN 0.281 nan 8.150 nan 0.000 0.543 35 S N -0.051 115.528 115.700 -0.202 0.000 2.669 35 S HA 0.359 4.830 4.470 0.001 0.000 0.270 35 S C 1.133 175.602 174.600 -0.219 0.000 1.225 35 S CA -0.128 57.982 58.200 -0.149 0.000 0.991 35 S CB 0.804 63.961 63.200 -0.071 0.000 0.987 35 S HN 0.545 nan 8.310 nan 0.000 0.552 36 R N -0.526 119.877 120.500 -0.162 0.000 2.119 36 R HA -0.017 4.324 4.340 0.001 0.000 0.222 36 R C 1.231 177.341 176.300 -0.317 0.000 1.088 36 R CA 0.975 56.932 56.100 -0.238 0.000 0.984 36 R CB -1.020 29.130 30.300 -0.252 0.000 0.884 36 R HN 0.661 nan 8.270 nan 0.000 0.447 37 Y N 2.465 122.646 120.300 -0.198 0.000 2.465 37 Y HA -0.018 4.532 4.550 0.001 0.000 0.289 37 Y C 1.410 177.007 175.900 -0.505 0.000 1.150 37 Y CA 0.388 58.353 58.100 -0.226 0.000 1.293 37 Y CB -0.664 37.765 38.460 -0.051 0.000 0.977 37 Y HN 0.180 nan 8.280 nan 0.000 0.556 38 A N 2.462 124.856 122.820 -0.710 0.000 2.589 38 A HA 0.085 4.406 4.320 0.001 0.000 0.259 38 A C 0.695 178.049 177.584 -0.383 0.000 1.000 38 A CA 0.524 51.969 52.037 -0.985 0.000 0.847 38 A CB -0.536 18.036 19.000 -0.713 0.000 0.885 38 A HN 0.540 nan 8.150 nan 0.000 0.508 39 R N 2.379 122.844 120.500 -0.058 0.000 2.734 39 R HA 0.712 5.052 4.340 0.001 0.000 0.271 39 R C -3.387 173.091 176.300 0.297 0.000 1.021 39 R CA -2.000 54.186 56.100 0.144 0.000 0.893 39 R CB 1.096 31.515 30.300 0.197 0.000 1.244 39 R HN 0.364 nan 8.270 nan 0.000 0.464 40 P HA 0.027 nan 4.420 nan 0.000 0.272 40 P C 0.431 177.813 177.300 0.137 0.000 1.230 40 P CA -0.527 62.651 63.100 0.130 0.000 0.788 40 P CB 0.773 32.514 31.700 0.068 0.000 0.949 41 L N 1.069 122.332 121.223 0.067 0.000 2.141 41 L HA 0.025 4.366 4.340 0.001 0.000 0.209 41 L C 0.948 177.567 176.870 -0.419 0.000 1.094 41 L CA 1.877 56.560 54.840 -0.262 0.000 0.763 41 L CB -0.342 41.324 42.059 -0.655 0.000 0.908 41 L HN 0.517 nan 8.230 nan 0.000 0.437 42 S N -2.703 112.776 115.700 -0.369 0.000 2.537 42 S HA 0.330 4.800 4.470 0.001 0.000 0.270 42 S C 0.517 175.057 174.600 -0.100 0.000 1.142 42 S CA -0.741 57.312 58.200 -0.244 0.000 0.870 42 S CB 0.782 63.747 63.200 -0.391 0.000 1.112 42 S HN 0.104 nan 8.310 nan 0.000 0.466 43 L N 3.057 124.248 121.223 -0.053 0.000 2.353 43 L HA -0.012 4.328 4.340 0.001 0.000 0.220 43 L C 2.448 179.304 176.870 -0.023 0.000 1.133 43 L CA 1.340 56.166 54.840 -0.024 0.000 0.798 43 L CB -0.617 41.419 42.059 -0.039 0.000 0.922 43 L HN 0.809 nan 8.230 nan 0.000 0.445 44 S N -0.538 115.134 115.700 -0.047 0.000 2.522 44 S HA 0.067 4.538 4.470 0.001 0.000 0.227 44 S C 0.963 175.566 174.600 0.004 0.000 0.986 44 S CA 0.158 58.354 58.200 -0.007 0.000 0.929 44 S CB -0.187 63.020 63.200 0.012 0.000 0.769 44 S HN 0.389 nan 8.310 nan 0.000 0.529 45 L N 2.130 123.334 121.223 -0.031 0.000 2.679 45 L HA 0.465 4.805 4.340 0.001 0.000 0.238 45 L C -2.891 174.066 176.870 0.144 0.000 1.330 45 L CA -2.173 52.677 54.840 0.017 0.000 0.935 45 L CB 0.768 42.722 42.059 -0.174 0.000 1.243 45 L HN -0.069 nan 8.230 nan 0.000 0.484 46 P HA -0.050 nan 4.420 nan 0.000 0.265 46 P C 0.149 177.532 177.300 0.138 0.000 1.187 46 P CA 0.100 63.265 63.100 0.109 0.000 0.766 46 P CB 0.494 32.248 31.700 0.092 0.000 0.820 47 L N 3.415 124.606 121.223 -0.053 0.000 2.706 47 L HA -0.083 4.258 4.340 0.001 0.000 0.282 47 L C 1.215 178.084 176.870 -0.001 0.000 1.219 47 L CA 1.011 55.712 54.840 -0.230 0.000 0.935 47 L CB -0.754 41.150 42.059 -0.258 0.000 1.204 47 L HN 0.588 nan 8.230 nan 0.000 0.491 48 Q N 2.401 122.268 119.800 0.111 0.000 2.782 48 Q HA 0.395 4.736 4.340 0.001 0.000 0.308 48 Q C -0.336 175.788 176.000 0.207 0.000 0.883 48 Q CA -1.029 54.867 55.803 0.154 0.000 0.755 48 Q CB 1.592 30.430 28.738 0.167 0.000 1.454 48 Q HN 0.355 nan 8.270 nan 0.000 0.452 49 R N -0.246 120.342 120.500 0.147 0.000 2.167 49 R HA 0.237 4.577 4.340 0.001 0.000 0.201 49 R C 0.910 177.278 176.300 0.114 0.000 1.024 49 R CA 0.762 56.939 56.100 0.127 0.000 1.053 49 R CB 0.461 30.808 30.300 0.080 0.000 0.987 49 R HN 0.711 nan 8.270 nan 0.000 0.493 50 G N 0.760 109.622 108.800 0.103 0.000 2.653 50 G HA2 -0.016 3.945 3.960 0.001 0.000 0.265 50 G HA3 -0.016 3.945 3.960 0.001 0.000 0.265 50 G C -0.390 174.552 174.900 0.070 0.000 1.237 50 G CA -0.562 44.582 45.100 0.074 0.000 0.946 50 G HN 0.190 nan 8.290 nan 0.000 0.522 51 N N -0.313 118.408 118.700 0.036 0.000 2.447 51 N HA 0.030 4.770 4.740 0.001 0.000 0.263 51 N C -0.047 175.503 175.510 0.067 0.000 1.226 51 N CA 0.499 53.564 53.050 0.025 0.000 0.906 51 N CB 0.923 39.414 38.487 0.007 0.000 1.060 51 N HN 0.253 nan 8.380 nan 0.000 0.468 52 I N 1.038 121.667 120.570 0.099 0.000 2.331 52 I HA 0.132 4.303 4.170 0.001 0.000 0.292 52 I C 1.487 177.680 176.117 0.127 0.000 0.998 52 I CA -0.305 61.071 61.300 0.127 0.000 1.267 52 I CB 1.335 39.433 38.000 0.164 0.000 1.386 52 I HN 0.527 nan 8.210 nan 0.000 0.476 53 T N -0.541 114.077 114.554 0.107 0.000 3.043 53 T HA 0.103 4.454 4.350 0.001 0.000 0.272 53 T C 0.711 175.472 174.700 0.102 0.000 0.990 53 T CA -0.144 62.017 62.100 0.101 0.000 0.897 53 T CB -0.076 68.832 68.868 0.067 0.000 1.111 53 T HN 0.611 nan 8.240 nan 0.000 0.529 54 S N 1.883 117.644 115.700 0.101 0.000 2.550 54 S HA -0.018 4.452 4.470 0.001 0.000 0.285 54 S C 0.687 175.354 174.600 0.111 0.000 1.326 54 S CA -0.127 58.129 58.200 0.093 0.000 1.037 54 S CB 0.289 63.542 63.200 0.089 0.000 0.838 54 S HN 0.246 nan 8.310 nan 0.000 0.519 55 D N 1.951 122.401 120.400 0.083 0.000 2.265 55 D HA -0.092 4.548 4.640 0.001 0.000 0.208 55 D C 2.169 178.566 176.300 0.160 0.000 0.977 55 D CA 1.496 55.552 54.000 0.093 0.000 0.871 55 D CB -0.841 39.984 40.800 0.041 0.000 0.925 55 D HN 0.763 nan 8.370 nan 0.000 0.485 56 A N 0.701 123.604 122.820 0.137 0.000 1.997 56 A HA -0.196 4.125 4.320 0.001 0.000 0.221 56 A C 2.522 180.228 177.584 0.203 0.000 1.172 56 A CA 1.335 53.459 52.037 0.145 0.000 0.645 56 A CB -0.632 18.428 19.000 0.099 0.000 0.813 56 A HN 0.185 nan 8.150 nan 0.000 0.454 57 V N -1.585 118.476 119.914 0.244 0.000 2.283 57 V HA -0.197 3.924 4.120 0.001 0.000 0.243 57 V C 2.211 178.604 176.094 0.498 0.000 1.039 57 V CA 1.945 64.459 62.300 0.358 0.000 1.016 57 V CB -1.002 31.041 31.823 0.366 0.000 0.650 57 V HN 0.648 nan 8.190 nan 0.000 0.449 58 F N 1.774 121.850 119.950 0.210 0.000 2.069 58 F HA -0.241 4.287 4.527 0.001 0.000 0.298 58 F C 2.430 178.288 175.800 0.096 0.000 1.113 58 F CA 2.176 60.208 58.000 0.054 0.000 1.214 58 F CB -0.313 38.610 39.000 -0.129 0.000 0.978 58 F HN 0.179 nan 8.300 nan 0.000 0.474 59 N N 0.505 119.436 118.700 0.385 0.000 2.043 59 N HA -0.269 4.471 4.740 0.001 0.000 0.193 59 N C 1.829 177.373 175.510 0.056 0.000 1.037 59 N CA 1.801 54.980 53.050 0.214 0.000 0.851 59 N CB -1.222 37.376 38.487 0.185 0.000 1.027 59 N HN 0.451 nan 8.380 nan 0.000 0.422 60 F N 0.724 120.654 119.950 -0.034 0.000 2.087 60 F HA -0.228 4.299 4.527 0.001 0.000 0.299 60 F C 1.913 177.534 175.800 -0.298 0.000 1.100 60 F CA 1.610 59.478 58.000 -0.220 0.000 1.226 60 F CB -0.463 38.306 39.000 -0.385 0.000 0.983 60 F HN -0.047 nan 8.300 nan 0.000 0.479 61 F N -0.152 119.724 119.950 -0.122 0.000 2.416 61 F HA -0.034 4.493 4.527 0.001 0.000 0.296 61 F C 2.219 177.831 175.800 -0.313 0.000 1.099 61 F CA 1.047 58.927 58.000 -0.201 0.000 1.427 61 F CB -0.557 38.443 39.000 -0.001 0.000 1.079 61 F HN -0.029 nan 8.300 nan 0.000 0.536 62 D N 0.280 120.555 120.400 -0.208 0.000 2.117 62 D HA -0.172 4.469 4.640 0.001 0.000 0.198 62 D C 1.813 177.995 176.300 -0.197 0.000 0.982 62 D CA 1.129 54.974 54.000 -0.259 0.000 0.828 62 D CB -0.299 40.341 40.800 -0.267 0.000 0.967 62 D HN -0.007 nan 8.370 nan 0.000 0.464 63 N N -0.018 118.541 118.700 -0.234 0.000 2.588 63 N HA -0.094 4.646 4.740 0.001 0.000 0.190 63 N C 1.488 176.811 175.510 -0.312 0.000 1.094 63 N CA 0.273 53.169 53.050 -0.255 0.000 0.921 63 N CB 0.019 38.343 38.487 -0.270 0.000 0.959 63 N HN 0.377 nan 8.380 nan 0.000 0.448 64 L N -0.258 120.753 121.223 -0.353 0.000 2.509 64 L HA 0.157 4.498 4.340 0.001 0.000 0.222 64 L C 0.648 177.412 176.870 -0.176 0.000 1.123 64 L CA 0.207 54.869 54.840 -0.296 0.000 0.856 64 L CB 0.133 42.018 42.059 -0.290 0.000 0.985 64 L HN -0.007 nan 8.230 nan 0.000 0.456 65 L N -0.371 120.764 121.223 -0.146 0.000 2.352 65 L HA 0.395 4.736 4.340 0.001 0.000 0.269 65 L C -1.995 174.823 176.870 -0.085 0.000 1.034 65 L CA -2.023 52.755 54.840 -0.103 0.000 0.806 65 L CB 0.735 42.739 42.059 -0.092 0.000 1.244 65 L HN -0.247 nan 8.230 nan 0.000 0.447 66 P HA -0.085 nan 4.420 nan 0.000 0.261 66 P C -0.241 177.035 177.300 -0.041 0.000 1.165 66 P CA 0.314 63.386 63.100 -0.047 0.000 0.759 66 P CB 0.394 32.073 31.700 -0.034 0.000 0.772 67 D N 0.577 120.955 120.400 -0.036 0.000 2.117 67 D HA -0.101 4.540 4.640 0.001 0.000 0.197 67 D C 0.849 177.137 176.300 -0.020 0.000 0.987 67 D CA 1.272 55.255 54.000 -0.029 0.000 0.829 67 D CB -0.079 40.705 40.800 -0.027 0.000 0.961 67 D HN 0.413 nan 8.370 nan 0.000 0.460 68 S N 1.247 116.936 115.700 -0.019 0.000 2.516 68 S HA 0.069 4.540 4.470 0.001 0.000 0.282 68 S C -1.964 172.630 174.600 -0.009 0.000 1.286 68 S CA -1.165 57.027 58.200 -0.014 0.000 1.066 68 S CB 1.834 65.025 63.200 -0.014 0.000 0.884 68 S HN -0.202 nan 8.310 nan 0.000 0.491 69 P HA 0.152 nan 4.420 nan 0.000 0.237 69 P C 0.662 177.963 177.300 0.000 0.000 1.178 69 P CA 0.555 63.655 63.100 0.001 0.000 0.766 69 P CB 0.088 31.790 31.700 0.002 0.000 0.876 70 I N -1.935 118.633 120.570 -0.004 0.000 2.729 70 I HA -0.085 4.086 4.170 0.001 0.000 0.256 70 I C 1.957 178.072 176.117 -0.004 0.000 1.115 70 I CA 0.540 61.837 61.300 -0.005 0.000 1.446 70 I CB -0.501 37.494 38.000 -0.009 0.000 1.176 70 I HN -0.282 nan 8.210 nan 0.000 0.446 71 V N 1.306 121.216 119.914 -0.006 0.000 2.453 71 V HA -0.284 3.837 4.120 0.001 0.000 0.252 71 V C 2.503 178.598 176.094 0.002 0.000 1.068 71 V CA 1.831 64.128 62.300 -0.004 0.000 1.070 71 V CB -0.969 30.848 31.823 -0.009 0.000 0.664 71 V HN 0.370 nan 8.190 nan 0.000 0.461 72 R N -0.147 120.354 120.500 0.001 0.000 2.092 72 R HA -0.125 4.216 4.340 0.001 0.000 0.231 72 R C 2.085 178.394 176.300 0.015 0.000 1.119 72 R CA 1.512 57.616 56.100 0.006 0.000 0.970 72 R CB -0.373 29.930 30.300 0.005 0.000 0.864 72 R HN 0.533 nan 8.270 nan 0.000 0.440 73 D N 0.189 120.595 120.400 0.011 0.000 2.178 73 D HA -0.128 4.513 4.640 0.001 0.000 0.201 73 D C 1.852 178.157 176.300 0.008 0.000 0.980 73 D CA 1.092 55.099 54.000 0.012 0.000 0.842 73 D CB 0.001 40.805 40.800 0.007 0.000 0.948 73 D HN 0.048 nan 8.370 nan 0.000 0.472 74 R N 0.055 120.558 120.500 0.006 0.000 2.090 74 R HA 0.082 4.423 4.340 0.001 0.000 0.228 74 R C 2.388 178.697 176.300 0.014 0.000 1.110 74 R CA 0.400 56.498 56.100 -0.003 0.000 0.973 74 R CB -0.192 30.105 30.300 -0.005 0.000 0.869 74 R HN 0.200 nan 8.270 nan 0.000 0.440 75 I N -0.677 119.927 120.570 0.056 0.000 2.233 75 I HA -0.234 3.936 4.170 0.001 0.000 0.243 75 I C 1.961 178.162 176.117 0.140 0.000 1.093 75 I CA 0.846 62.235 61.300 0.147 0.000 1.380 75 I CB -0.248 37.804 38.000 0.087 0.000 1.067 75 I HN -0.060 nan 8.210 nan 0.000 0.413 76 V N 1.225 121.180 119.914 0.069 0.000 2.250 76 V HA -0.374 3.746 4.120 0.001 0.000 0.250 76 V C 2.470 178.572 176.094 0.013 0.000 1.060 76 V CA 2.124 64.456 62.300 0.053 0.000 1.030 76 V CB -0.688 31.161 31.823 0.042 0.000 0.643 76 V HN 0.408 nan 8.190 nan 0.000 0.445 77 K N -0.496 119.890 120.400 -0.024 0.000 2.057 77 K HA -0.203 4.117 4.320 0.001 0.000 0.206 77 K C 2.341 178.793 176.600 -0.247 0.000 1.050 77 K CA 1.725 57.958 56.287 -0.091 0.000 0.935 77 K CB -0.243 32.217 32.500 -0.065 0.000 0.715 77 K HN 0.393 nan 8.250 nan 0.000 0.439 78 R N -0.064 120.304 120.500 -0.220 0.000 2.093 78 R HA -0.086 4.254 4.340 0.001 0.000 0.224 78 R C 0.986 176.946 176.300 -0.567 0.000 1.101 78 R CA 1.305 57.167 56.100 -0.397 0.000 0.979 78 R CB 0.038 30.103 30.300 -0.391 0.000 0.877 78 R HN 0.168 nan 8.270 nan 0.000 0.441 79 Y N -0.193 119.975 120.300 -0.219 0.000 2.507 79 Y HA 0.241 4.792 4.550 0.001 0.000 0.254 79 Y C -0.533 175.339 175.900 -0.047 0.000 1.171 79 Y CA -0.099 57.927 58.100 -0.123 0.000 1.238 79 Y CB 0.104 38.533 38.460 -0.050 0.000 1.148 79 Y HN 0.222 nan 8.280 nan 0.000 0.525 80 H N -1.050 118.079 119.070 0.098 0.000 2.692 80 H HA -0.134 4.422 4.556 0.001 0.000 0.316 80 H C 0.637 176.012 175.328 0.080 0.000 1.176 80 H CA -0.108 55.980 56.048 0.068 0.000 1.142 80 H CB -1.170 28.619 29.762 0.046 0.000 1.475 80 H HN 0.413 nan 8.280 nan 0.000 0.423 81 A N 0.673 123.584 122.820 0.152 0.000 2.366 81 A HA 0.203 4.523 4.320 0.001 0.000 0.249 81 A C 1.376 179.023 177.584 0.105 0.000 1.084 81 A CA -0.041 52.067 52.037 0.117 0.000 0.794 81 A CB 0.546 19.598 19.000 0.085 0.000 1.034 81 A HN 0.524 nan 8.150 nan 0.000 0.491 82 K N 0.136 120.594 120.400 0.097 0.000 2.228 82 K HA 0.038 4.358 4.320 0.001 0.000 0.202 82 K C 0.650 177.298 176.600 0.079 0.000 1.051 82 K CA 1.267 57.605 56.287 0.085 0.000 0.960 82 K CB -0.102 32.449 32.500 0.085 0.000 0.743 82 K HN 0.865 nan 8.250 nan 0.000 0.458 83 S N -1.013 114.737 115.700 0.084 0.000 2.714 83 S HA 0.299 4.770 4.470 0.001 0.000 0.280 83 S C -0.498 174.148 174.600 0.076 0.000 1.200 83 S CA -1.039 57.209 58.200 0.080 0.000 0.900 83 S CB 0.998 64.252 63.200 0.091 0.000 1.235 83 S HN 0.054 nan 8.310 nan 0.000 0.512 84 R N 0.389 120.934 120.500 0.076 0.000 2.546 84 R HA 0.303 4.644 4.340 0.001 0.000 0.320 84 R C -0.296 176.047 176.300 0.073 0.000 1.021 84 R CA -0.401 55.736 56.100 0.061 0.000 1.088 84 R CB 0.306 30.637 30.300 0.052 0.000 1.278 84 R HN 0.498 nan 8.270 nan 0.000 0.557 85 Q N 0.544 120.412 119.800 0.113 0.000 2.354 85 Q HA 0.113 4.454 4.340 0.001 0.000 0.244 85 Q C -1.792 174.255 176.000 0.077 0.000 0.969 85 Q CA -1.835 54.054 55.803 0.143 0.000 0.885 85 Q CB 0.808 29.710 28.738 0.273 0.000 1.241 85 Q HN -0.099 nan 8.270 nan 0.000 0.461 86 P HA -0.174 nan 4.420 nan 0.000 0.215 86 P C 1.195 178.546 177.300 0.086 0.000 1.157 86 P CA 1.192 64.252 63.100 -0.067 0.000 0.868 86 P CB -0.102 31.445 31.700 -0.254 0.000 0.788 87 F N 0.828 120.846 119.950 0.113 0.000 2.126 87 F HA -0.229 4.299 4.527 0.001 0.000 0.299 87 F C 1.623 177.397 175.800 -0.044 0.000 1.096 87 F CA 1.700 59.671 58.000 -0.049 0.000 1.255 87 F CB -0.426 38.441 39.000 -0.223 0.000 0.997 87 F HN -0.154 nan 8.300 nan 0.000 0.479 88 D N 0.436 121.001 120.400 0.274 0.000 2.149 88 D HA -0.107 4.533 4.640 0.001 0.000 0.201 88 D C 2.385 178.701 176.300 0.027 0.000 0.972 88 D CA 1.235 55.341 54.000 0.176 0.000 0.835 88 D CB -0.378 40.529 40.800 0.178 0.000 0.966 88 D HN 0.354 nan 8.370 nan 0.000 0.476 89 L N 0.050 121.276 121.223 0.005 0.000 2.179 89 L HA -0.015 4.326 4.340 0.001 0.000 0.208 89 L C 2.244 179.048 176.870 -0.109 0.000 1.096 89 L CA 0.398 55.213 54.840 -0.042 0.000 0.779 89 L CB -0.084 41.957 42.059 -0.030 0.000 0.922 89 L HN -0.018 nan 8.230 nan 0.000 0.443 90 L N -0.917 120.228 121.223 -0.130 0.000 2.395 90 L HA -0.060 4.280 4.340 0.001 0.000 0.218 90 L C 2.117 178.841 176.870 -0.243 0.000 1.130 90 L CA 0.447 55.184 54.840 -0.171 0.000 0.826 90 L CB -0.211 41.767 42.059 -0.135 0.000 0.941 90 L HN 0.168 nan 8.230 nan 0.000 0.451 91 S N -0.910 114.610 115.700 -0.300 0.000 2.660 91 S HA 0.028 4.498 4.470 0.001 0.000 0.223 91 S C 1.297 175.789 174.600 -0.180 0.000 0.963 91 S CA 0.307 58.336 58.200 -0.284 0.000 0.932 91 S CB 0.031 63.045 63.200 -0.310 0.000 0.775 91 S HN 0.359 nan 8.310 nan 0.000 0.531 92 E N 0.997 121.075 120.200 -0.204 0.000 2.406 92 E HA 0.250 4.600 4.350 0.001 0.000 0.204 92 E C 1.562 177.903 176.600 -0.432 0.000 0.820 92 E CA 0.509 56.742 56.400 -0.278 0.000 1.136 92 E CB 0.179 29.724 29.700 -0.259 0.000 1.129 92 E HN 0.648 nan 8.360 nan 0.000 0.530 93 I N -2.847 117.509 120.570 -0.357 0.000 4.082 93 I HA 0.433 4.603 4.170 0.001 0.000 0.337 93 I C 1.445 177.453 176.117 -0.182 0.000 1.352 93 I CA 0.210 61.317 61.300 -0.322 0.000 1.097 93 I CB 0.406 38.223 38.000 -0.305 0.000 1.048 93 I HN -0.097 nan 8.210 nan 0.000 0.393 94 G N 1.645 110.354 108.800 -0.152 0.000 2.959 94 G HA2 -0.041 3.920 3.960 0.001 0.000 0.203 94 G HA3 -0.041 3.920 3.960 0.001 0.000 0.203 94 G C 1.427 176.293 174.900 -0.057 0.000 1.176 94 G CA 0.005 45.051 45.100 -0.091 0.000 0.860 94 G HN 0.391 nan 8.290 nan 0.000 0.507 95 R N -0.348 120.108 120.500 -0.073 0.000 2.054 95 R HA 0.042 4.382 4.340 0.001 0.000 0.223 95 R C 0.098 176.372 176.300 -0.043 0.000 1.176 95 R CA 0.749 56.819 56.100 -0.050 0.000 0.934 95 R CB -0.172 30.093 30.300 -0.058 0.000 0.828 95 R HN 0.207 nan 8.270 nan 0.000 0.441 96 D N 0.534 120.901 120.400 -0.054 0.000 2.249 96 D HA 0.268 4.908 4.640 0.001 0.000 0.246 96 D C -1.045 175.217 176.300 -0.064 0.000 1.114 96 D CA 0.215 54.182 54.000 -0.055 0.000 0.854 96 D CB 1.188 41.956 40.800 -0.054 0.000 1.132 96 D HN -0.015 nan 8.370 nan 0.000 0.461 97 S N 0.700 116.361 115.700 -0.065 0.000 2.720 97 S HA 0.440 4.911 4.470 0.001 0.000 0.287 97 S C -0.762 173.779 174.600 -0.097 0.000 1.168 97 S CA -0.804 57.346 58.200 -0.084 0.000 0.832 97 S CB 1.173 64.323 63.200 -0.083 0.000 1.166 97 S HN 0.232 nan 8.310 nan 0.000 0.493 98 V N 2.294 122.134 119.914 -0.123 0.000 2.901 98 V HA 0.397 4.517 4.120 0.001 0.000 0.307 98 V C 1.470 177.511 176.094 -0.087 0.000 1.084 98 V CA 1.433 63.651 62.300 -0.136 0.000 1.184 98 V CB -0.535 31.189 31.823 -0.166 0.000 0.941 98 V HN 1.314 nan 8.190 nan 0.000 0.493 99 G N 3.973 112.739 108.800 -0.057 0.000 2.581 99 G HA2 -0.090 3.870 3.960 0.001 0.000 0.291 99 G HA3 -0.090 3.870 3.960 0.001 0.000 0.291 99 G C 0.762 175.668 174.900 0.010 0.000 1.277 99 G CA 0.341 45.451 45.100 0.016 0.000 0.959 99 G HN 1.722 nan 8.290 nan 0.000 0.554 100 A N -1.039 121.805 122.820 0.041 0.000 2.343 100 A HA 0.603 4.924 4.320 0.001 0.000 0.223 100 A C 1.306 178.909 177.584 0.032 0.000 1.214 100 A CA 1.554 53.611 52.037 0.035 0.000 0.900 100 A CB -0.108 18.928 19.000 0.059 0.000 0.942 100 A HN 2.296 nan 8.150 nan 0.000 0.507 101 V N -0.293 119.646 119.914 0.041 0.000 2.546 101 V HA 0.648 4.769 4.120 0.001 0.000 0.284 101 V C -0.479 175.659 176.094 0.073 0.000 1.050 101 V CA 0.192 62.530 62.300 0.063 0.000 0.981 101 V CB 1.072 32.951 31.823 0.094 0.000 0.990 101 V HN 0.143 nan 8.190 nan 0.000 0.474 102 T N 7.059 121.681 114.554 0.112 0.000 2.876 102 T HA 0.715 5.066 4.350 0.001 0.000 0.289 102 T C -0.720 174.086 174.700 0.177 0.000 1.014 102 T CA -0.356 61.811 62.100 0.112 0.000 0.986 102 T CB 1.332 70.255 68.868 0.091 0.000 1.021 102 T HN 0.733 nan 8.240 nan 0.000 0.458 103 L N 3.460 124.754 121.223 0.118 0.000 2.381 103 L HA 0.677 5.018 4.340 0.001 0.000 0.274 103 L C -1.076 175.830 176.870 0.060 0.000 0.988 103 L CA -0.672 54.224 54.840 0.093 0.000 0.824 103 L CB 1.806 43.872 42.059 0.012 0.000 1.263 103 L HN 0.533 nan 8.230 nan 0.000 0.410 104 I N 4.197 124.830 120.570 0.105 0.000 2.499 104 I HA 0.409 4.579 4.170 0.001 0.000 0.288 104 I C -2.245 173.890 176.117 0.031 0.000 1.048 104 I CA -1.930 59.418 61.300 0.080 0.000 1.062 104 I CB 2.419 40.522 38.000 0.171 0.000 1.238 104 I HN 0.306 nan 8.210 nan 0.000 0.426 105 P HA -0.094 nan 4.420 nan 0.000 0.266 105 P C 0.095 177.413 177.300 0.030 0.000 1.180 105 P CA 0.057 63.149 63.100 -0.014 0.000 0.765 105 P CB 0.333 32.026 31.700 -0.011 0.000 0.806 106 E N 0.811 121.031 120.200 0.034 0.000 2.453 106 E HA -0.112 4.239 4.350 0.001 0.000 0.207 106 E C -0.266 176.361 176.600 0.045 0.000 1.212 106 E CA 0.502 56.926 56.400 0.040 0.000 0.959 106 E CB -0.731 28.985 29.700 0.028 0.000 0.957 106 E HN 0.441 nan 8.360 nan 0.000 0.540 121 T N 0.813 115.404 114.554 0.062 0.000 2.815 121 T HA 0.192 4.542 4.350 0.001 0.000 0.289 121 T C 0.619 175.347 174.700 0.047 0.000 1.000 121 T CA -0.232 61.897 62.100 0.047 0.000 0.958 121 T CB 1.186 70.072 68.868 0.030 0.000 0.944 121 T HN 0.763 nan 8.240 nan 0.000 0.442 122 E N 3.842 124.072 120.200 0.051 0.000 2.233 122 E HA -0.268 4.082 4.350 0.001 0.000 0.210 122 E C 1.574 178.192 176.600 0.031 0.000 1.046 122 E CA 2.073 58.504 56.400 0.051 0.000 0.844 122 E CB -0.100 29.625 29.700 0.043 0.000 0.741 122 E HN 0.786 nan 8.360 nan 0.000 0.465 123 A N 0.219 123.053 122.820 0.022 0.000 2.095 123 A HA 0.038 4.358 4.320 0.001 0.000 0.212 123 A C 2.140 179.729 177.584 0.007 0.000 1.162 123 A CA 0.766 52.810 52.037 0.011 0.000 0.753 123 A CB -0.191 18.814 19.000 0.008 0.000 0.840 123 A HN 0.175 nan 8.150 nan 0.000 0.468 124 R N -0.785 119.723 120.500 0.013 0.000 2.276 124 R HA 0.087 4.427 4.340 0.001 0.000 0.203 124 R C 1.630 177.933 176.300 0.005 0.000 1.017 124 R CA 0.621 56.726 56.100 0.009 0.000 1.010 124 R CB -0.225 30.083 30.300 0.014 0.000 0.900 124 R HN 0.421 nan 8.270 nan 0.000 0.469 125 L N 0.821 122.050 121.223 0.009 0.000 2.034 125 L HA 0.002 4.342 4.340 0.001 0.000 0.203 125 L C 1.895 178.744 176.870 -0.034 0.000 1.074 125 L CA 1.818 56.652 54.840 -0.009 0.000 0.748 125 L CB -0.406 41.658 42.059 0.009 0.000 0.905 125 L HN 0.135 nan 8.230 nan 0.000 0.439 126 E N -0.917 119.268 120.200 -0.025 0.000 2.483 126 E HA -0.288 4.062 4.350 0.001 0.000 0.205 126 E C 1.698 178.280 176.600 -0.030 0.000 1.075 126 E CA 1.168 57.549 56.400 -0.031 0.000 0.889 126 E CB 0.124 29.812 29.700 -0.019 0.000 0.816 126 E HN 0.562 nan 8.360 nan 0.000 0.567 127 E N -1.712 118.473 120.200 -0.026 0.000 2.332 127 E HA 0.033 4.383 4.350 0.001 0.000 0.202 127 E C 1.576 178.160 176.600 -0.026 0.000 0.877 127 E CA 0.601 56.988 56.400 -0.022 0.000 0.979 127 E CB 0.117 29.809 29.700 -0.013 0.000 0.969 127 E HN 0.135 nan 8.360 nan 0.000 0.495 128 V N 1.263 121.159 119.914 -0.029 0.000 2.626 128 V HA -0.065 4.055 4.120 0.001 0.000 0.252 128 V C 0.930 176.999 176.094 -0.042 0.000 1.067 128 V CA 1.073 63.355 62.300 -0.031 0.000 1.081 128 V CB -0.657 31.148 31.823 -0.030 0.000 0.686 128 V HN 0.172 nan 8.190 nan 0.000 0.468 129 L N 1.085 122.276 121.223 -0.053 0.000 2.287 129 L HA 0.602 4.942 4.340 0.001 0.000 0.280 129 L C -0.459 176.383 176.870 -0.046 0.000 1.055 129 L CA 0.325 55.129 54.840 -0.059 0.000 0.863 129 L CB 0.518 42.528 42.059 -0.082 0.000 1.245 129 L HN -0.016 nan 8.230 nan 0.000 0.432 130 T N 1.395 115.927 114.554 -0.038 0.000 4.128 130 T HA 0.470 4.821 4.350 0.001 0.000 0.376 130 T C -0.252 174.430 174.700 -0.030 0.000 1.109 130 T CA -0.579 61.501 62.100 -0.032 0.000 1.087 130 T CB 1.465 70.316 68.868 -0.030 0.000 1.190 130 T HN 0.539 nan 8.240 nan 0.000 0.473 141 I N 0.911 121.463 120.570 -0.029 0.000 2.499 141 I HA 0.619 4.789 4.170 0.001 0.000 0.288 141 I C -0.790 175.303 176.117 -0.040 0.000 1.048 141 I CA -0.408 60.871 61.300 -0.035 0.000 1.062 141 I CB 2.151 40.133 38.000 -0.030 0.000 1.238 141 I HN 0.569 nan 8.210 nan 0.000 0.426 142 R N 3.539 124.007 120.500 -0.053 0.000 2.664 142 R HA 0.434 4.774 4.340 0.001 0.000 0.286 142 R C 0.430 176.693 176.300 -0.062 0.000 0.967 142 R CA -0.477 55.588 56.100 -0.058 0.000 0.933 142 R CB 1.304 31.560 30.300 -0.074 0.000 1.146 142 R HN 0.451 nan 8.270 nan 0.000 0.468 143 E N 1.057 121.225 120.200 -0.054 0.000 2.435 143 E HA 0.019 4.369 4.350 0.001 0.000 0.195 143 E C -0.328 176.234 176.600 -0.065 0.000 1.029 143 E CA 0.785 57.154 56.400 -0.051 0.000 0.865 143 E CB 0.313 29.990 29.700 -0.037 0.000 0.833 143 E HN 0.385 nan 8.360 nan 0.000 0.510 144 E N 0.900 121.051 120.200 -0.081 0.000 2.212 144 E HA 0.226 4.577 4.350 0.001 0.000 0.268 144 E C -0.257 176.253 176.600 -0.149 0.000 0.902 144 E CA -0.522 55.825 56.400 -0.087 0.000 0.779 144 E CB 1.125 30.785 29.700 -0.066 0.000 1.172 144 E HN -0.120 nan 8.360 nan 0.000 0.409 145 N N 2.136 120.739 118.700 -0.162 0.000 2.843 145 N HA -0.003 4.738 4.740 0.001 0.000 0.284 145 N C -0.240 175.020 175.510 -0.417 0.000 1.274 145 N CA 0.150 53.018 53.050 -0.303 0.000 1.045 145 N CB 0.055 38.417 38.487 -0.209 0.000 1.370 145 N HN 0.344 nan 8.380 nan 0.000 0.525 146 D N -1.085 119.124 120.400 -0.318 0.000 2.431 146 D HA 0.015 4.656 4.640 0.001 0.000 0.213 146 D C -0.055 176.299 176.300 0.091 0.000 1.130 146 D CA -0.628 53.338 54.000 -0.057 0.000 0.834 146 D CB -0.581 40.229 40.800 0.016 0.000 0.985 146 D HN -0.005 nan 8.370 nan 0.000 0.504 147 F N 0.070 120.016 119.950 -0.008 0.000 3.027 147 F HA -0.263 4.265 4.527 0.001 0.000 0.276 147 F C 0.518 176.318 175.800 -0.001 0.000 0.967 147 F CA -0.079 57.914 58.000 -0.012 0.000 0.929 147 F CB -2.189 36.799 39.000 -0.020 0.000 0.873 147 F HN 0.030 nan 8.300 nan 0.000 0.787 148 R N 1.741 122.289 120.500 0.081 0.000 2.402 148 R HA 0.482 4.823 4.340 0.001 0.000 0.331 148 R C -0.602 175.734 176.300 0.061 0.000 1.040 148 R CA 0.213 56.356 56.100 0.071 0.000 0.980 148 R CB -0.028 30.286 30.300 0.022 0.000 0.967 148 R HN 0.392 nan 8.270 nan 0.000 0.440 149 I N 3.479 124.088 120.570 0.066 0.000 2.405 149 I HA 0.245 4.416 4.170 0.001 0.000 0.280 149 I C -0.514 175.621 176.117 0.029 0.000 1.027 149 I CA 0.053 61.374 61.300 0.035 0.000 1.161 149 I CB 1.756 39.764 38.000 0.013 0.000 1.300 149 I HN 0.530 nan 8.210 nan 0.000 0.463 150 S N 4.244 119.962 115.700 0.030 0.000 2.575 150 S HA 0.448 4.918 4.470 0.001 0.000 0.278 150 S C 0.393 175.014 174.600 0.035 0.000 1.139 150 S CA -0.658 57.565 58.200 0.038 0.000 0.954 150 S CB 1.585 64.812 63.200 0.045 0.000 1.054 150 S HN 0.409 nan 8.310 nan 0.000 0.483 151 V N 2.868 122.808 119.914 0.044 0.000 3.542 151 V HA 0.507 4.627 4.120 0.001 0.000 0.296 151 V C 1.535 177.666 176.094 0.061 0.000 1.364 151 V CA 0.797 63.129 62.300 0.052 0.000 1.118 151 V CB -0.262 31.602 31.823 0.069 0.000 0.972 151 V HN 0.804 nan 8.190 nan 0.000 0.430 152 A N 1.053 123.908 122.820 0.059 0.000 2.208 152 A HA 0.450 4.771 4.320 0.001 0.000 0.209 152 A C 1.580 179.186 177.584 0.037 0.000 1.161 152 A CA 0.655 52.731 52.037 0.066 0.000 0.782 152 A CB -0.795 18.247 19.000 0.070 0.000 0.816 152 A HN 0.799 nan 8.150 nan 0.000 0.477 153 G N -0.949 107.864 108.800 0.023 0.000 2.305 153 G HA2 0.361 4.322 3.960 0.001 0.000 0.243 153 G HA3 0.361 4.322 3.960 0.001 0.000 0.243 153 G C 1.023 175.922 174.900 -0.001 0.000 1.288 153 G CA 0.124 45.228 45.100 0.006 0.000 0.901 153 G HN 0.629 nan 8.290 nan 0.000 0.516 154 A N 1.787 124.601 122.820 -0.010 0.000 2.125 154 A HA -0.105 4.216 4.320 0.001 0.000 0.219 154 A C 2.031 179.605 177.584 -0.018 0.000 1.156 154 A CA 1.657 53.683 52.037 -0.018 0.000 0.671 154 A CB -0.182 18.803 19.000 -0.025 0.000 0.794 154 A HN 0.721 nan 8.150 nan 0.000 0.459 155 Q N -0.969 118.823 119.800 -0.015 0.000 2.482 155 Q HA -0.025 4.316 4.340 0.001 0.000 0.209 155 Q C 0.332 176.321 176.000 -0.018 0.000 0.961 155 Q CA 0.818 56.611 55.803 -0.016 0.000 0.945 155 Q CB 0.100 28.829 28.738 -0.015 0.000 1.012 155 Q HN 0.632 nan 8.270 nan 0.000 0.515 156 E N -0.916 119.274 120.200 -0.018 0.000 2.715 156 E HA 0.203 4.553 4.350 0.001 0.000 0.224 156 E C -1.007 175.576 176.600 -0.028 0.000 0.962 156 E CA -0.018 56.369 56.400 -0.022 0.000 1.145 156 E CB 0.975 30.667 29.700 -0.014 0.000 1.083 156 E HN 0.043 nan 8.360 nan 0.000 0.506 157 K N 0.008 120.392 120.400 -0.028 0.000 2.211 157 K HA 0.700 5.021 4.320 0.001 0.000 0.237 157 K C -0.774 175.800 176.600 -0.043 0.000 1.002 157 K CA -0.554 55.713 56.287 -0.035 0.000 0.885 157 K CB 1.880 34.362 32.500 -0.030 0.000 1.136 157 K HN -0.196 nan 8.250 nan 0.000 0.448 158 T N 0.538 115.062 114.554 -0.050 0.000 4.128 158 T HA 0.215 4.565 4.350 0.001 0.000 0.376 158 T C -1.463 173.211 174.700 -0.042 0.000 1.109 158 T CA -0.809 61.262 62.100 -0.048 0.000 1.087 158 T CB 1.287 70.116 68.868 -0.065 0.000 1.190 158 T HN 0.620 nan 8.240 nan 0.000 0.473 159 A N 4.698 127.504 122.820 -0.024 0.000 2.376 159 A HA 0.691 5.012 4.320 0.001 0.000 0.298 159 A C 0.283 177.889 177.584 0.037 0.000 1.271 159 A CA -0.255 51.781 52.037 -0.001 0.000 0.926 159 A CB -0.247 18.740 19.000 -0.020 0.000 1.141 159 A HN 0.794 nan 8.150 nan 0.000 0.539 160 L N 1.455 122.727 121.223 0.082 0.000 2.510 160 L HA 0.644 4.984 4.340 0.001 0.000 0.252 160 L C -0.230 176.807 176.870 0.279 0.000 1.121 160 L CA -0.917 54.031 54.840 0.180 0.000 0.803 160 L CB 0.929 43.118 42.059 0.216 0.000 1.349 160 L HN 0.636 nan 8.230 nan 0.000 0.488 161 L N 1.328 122.737 121.223 0.309 0.000 2.431 161 L HA 0.644 4.984 4.340 0.001 0.000 0.266 161 L C -0.939 176.035 176.870 0.173 0.000 0.978 161 L CA -0.179 54.798 54.840 0.229 0.000 0.822 161 L CB 1.607 43.745 42.059 0.131 0.000 1.310 161 L HN 0.631 nan 8.230 nan 0.000 0.409 162 R N 5.511 126.063 120.500 0.088 0.000 3.170 162 R HA 0.260 4.600 4.340 0.001 0.000 0.257 162 R C -1.536 174.719 176.300 -0.075 0.000 1.139 162 R CA -0.359 55.647 56.100 -0.158 0.000 1.158 162 R CB 0.552 30.410 30.300 -0.737 0.000 1.269 162 R HN 0.876 nan 8.270 nan 0.000 0.459 163 I N 2.322 122.876 120.570 -0.027 0.000 4.244 163 I HA 0.335 4.506 4.170 0.001 0.000 0.318 163 I C 1.028 177.100 176.117 -0.077 0.000 1.282 163 I CA 0.380 61.696 61.300 0.026 0.000 1.276 163 I CB 0.732 38.815 38.000 0.139 0.000 1.183 163 I HN 0.753 nan 8.210 nan 0.000 0.431 164 G N 0.392 109.121 108.800 -0.118 0.000 2.441 164 G HA2 -0.138 3.823 3.960 0.001 0.000 0.258 164 G HA3 -0.138 3.823 3.960 0.001 0.000 0.258 164 G C 0.411 175.191 174.900 -0.201 0.000 1.487 164 G CA -0.023 44.997 45.100 -0.134 0.000 1.058 164 G HN 0.239 nan 8.290 nan 0.000 0.552 165 N N 0.468 119.061 118.700 -0.179 0.000 2.314 165 N HA 0.123 4.864 4.740 0.001 0.000 0.200 165 N C -0.789 174.542 175.510 -0.297 0.000 1.135 165 N CA 0.196 53.126 53.050 -0.199 0.000 0.835 165 N CB 0.181 38.604 38.487 -0.107 0.000 0.989 165 N HN 0.241 nan 8.380 nan 0.000 0.478 166 D N -1.055 119.105 120.400 -0.399 0.000 2.879 166 D HA 0.235 4.875 4.640 0.001 0.000 0.236 166 D C -0.629 175.374 176.300 -0.495 0.000 1.171 166 D CA -0.413 53.399 54.000 -0.313 0.000 0.868 166 D CB 1.040 41.757 40.800 -0.138 0.000 1.598 166 D HN -0.063 nan 8.370 nan 0.000 0.497 167 W N 1.695 122.975 121.300 -0.033 0.000 2.215 167 W HA 0.510 5.170 4.660 0.001 0.000 0.342 167 W C 0.496 177.007 176.519 -0.014 0.000 1.237 167 W CA -0.229 57.095 57.345 -0.035 0.000 1.283 167 W CB 0.892 30.328 29.460 -0.042 0.000 1.131 167 W HN 0.451 nan 8.180 nan 0.000 0.606 168 C N 0.667 120.119 119.300 0.254 0.000 3.302 168 C HA 0.582 5.042 4.460 0.001 0.000 0.347 168 C C -0.740 174.330 174.990 0.134 0.000 1.218 168 C CA -1.449 57.659 59.018 0.150 0.000 1.234 168 C CB -0.174 27.617 27.740 0.085 0.000 1.551 168 C HN 0.661 nan 8.230 nan 0.000 0.501 169 I N 3.885 124.510 120.570 0.092 0.000 2.474 169 I HA 0.363 4.533 4.170 0.001 0.000 0.287 169 I C -1.133 175.021 176.117 0.061 0.000 1.048 169 I CA -1.046 60.297 61.300 0.072 0.000 1.383 169 I CB 1.084 39.114 38.000 0.050 0.000 1.412 169 I HN 0.657 nan 8.210 nan 0.000 0.531 170 P HA 0.211 nan 4.420 nan 0.000 0.291 170 P C -0.723 176.595 177.300 0.030 0.000 1.287 170 P CA -0.263 62.860 63.100 0.039 0.000 0.767 170 P CB 0.917 32.632 31.700 0.026 0.000 1.290 171 K N -3.389 117.023 120.400 0.020 0.000 2.670 171 K HA 0.473 4.793 4.320 0.001 0.000 0.289 171 K C -0.194 176.407 176.600 0.001 0.000 1.045 171 K CA -0.020 56.274 56.287 0.013 0.000 0.834 171 K CB 0.874 33.387 32.500 0.021 0.000 1.531 171 K HN 0.793 nan 8.250 nan 0.000 0.376 172 G N 0.603 109.400 108.800 -0.006 0.000 2.545 172 G HA2 -0.229 3.731 3.960 0.001 0.000 0.240 172 G HA3 -0.229 3.731 3.960 0.001 0.000 0.240 172 G C 0.173 175.052 174.900 -0.036 0.000 1.172 172 G CA 0.042 45.129 45.100 -0.021 0.000 0.949 172 G HN 0.480 nan 8.290 nan 0.000 0.574 173 I N 2.435 122.974 120.570 -0.050 0.000 3.904 173 I HA 0.253 4.423 4.170 0.001 0.000 0.333 173 I C 1.259 177.340 176.117 -0.061 0.000 1.361 173 I CA 0.852 62.111 61.300 -0.068 0.000 1.116 173 I CB 0.214 38.151 38.000 -0.106 0.000 1.028 173 I HN 0.628 nan 8.210 nan 0.000 0.398 174 T N -0.907 113.620 114.554 -0.045 0.000 2.771 174 T HA 0.504 4.854 4.350 0.001 0.000 0.281 174 T C -2.566 172.105 174.700 -0.048 0.000 0.982 174 T CA -2.037 60.038 62.100 -0.043 0.000 0.978 174 T CB 1.594 70.450 68.868 -0.019 0.000 0.930 174 T HN -0.196 nan 8.240 nan 0.000 0.447 175 P HA 0.294 nan 4.420 nan 0.000 0.274 175 P C 0.303 177.559 177.300 -0.073 0.000 1.237 175 P CA -0.408 62.637 63.100 -0.092 0.000 0.793 175 P CB 0.471 32.085 31.700 -0.143 0.000 0.977 176 T N -3.238 111.283 114.554 -0.055 0.000 2.881 176 T HA 0.390 4.741 4.350 0.001 0.000 0.278 176 T C 1.009 175.693 174.700 -0.026 0.000 0.982 176 T CA 0.031 62.128 62.100 -0.005 0.000 0.989 176 T CB 0.538 69.415 68.868 0.016 0.000 1.058 176 T HN 0.502 nan 8.240 nan 0.000 0.529 177 T N -2.679 111.920 114.554 0.075 0.000 2.969 177 T HA 0.263 4.614 4.350 0.001 0.000 0.250 177 T C 0.097 174.760 174.700 -0.062 0.000 1.021 177 T CA 0.064 62.181 62.100 0.029 0.000 1.003 177 T CB -0.306 68.669 68.868 0.178 0.000 1.040 177 T HN 0.762 nan 8.240 nan 0.000 0.492 178 H N -0.486 118.643 119.070 0.099 0.000 2.821 178 H HA 0.708 5.264 4.556 0.001 0.000 0.373 178 H C -1.269 174.070 175.328 0.019 0.000 1.165 178 H CA -0.941 55.174 56.048 0.111 0.000 1.154 178 H CB 1.609 31.559 29.762 0.313 0.000 1.765 178 H HN 0.101 nan 8.280 nan 0.000 0.549 179 I N 2.887 123.506 120.570 0.082 0.000 2.377 179 I HA 0.223 4.393 4.170 0.001 0.000 0.293 179 I C -0.564 175.550 176.117 -0.004 0.000 0.987 179 I CA -0.443 60.858 61.300 0.003 0.000 1.185 179 I CB 1.023 38.993 38.000 -0.049 0.000 1.341 179 I HN 0.317 nan 8.210 nan 0.000 0.455 180 I N 6.500 127.028 120.570 -0.070 0.000 2.354 180 I HA 0.368 4.538 4.170 0.001 0.000 0.292 180 I C -0.163 175.905 176.117 -0.083 0.000 0.989 180 I CA -0.745 60.475 61.300 -0.133 0.000 1.188 180 I CB 1.158 39.004 38.000 -0.256 0.000 1.342 180 I HN 0.487 nan 8.210 nan 0.000 0.457 181 K N 6.917 127.284 120.400 -0.054 0.000 2.244 181 K HA 0.653 4.974 4.320 0.001 0.000 0.260 181 K C -0.689 175.886 176.600 -0.040 0.000 0.951 181 K CA -0.781 55.489 56.287 -0.029 0.000 0.826 181 K CB 2.577 35.083 32.500 0.011 0.000 1.108 181 K HN 0.421 nan 8.250 nan 0.000 0.433 182 L N 3.123 124.322 121.223 -0.040 0.000 2.416 182 L HA 0.395 4.735 4.340 0.001 0.000 0.262 182 L C -2.058 174.798 176.870 -0.023 0.000 1.093 182 L CA -2.393 52.423 54.840 -0.040 0.000 0.801 182 L CB 0.611 42.642 42.059 -0.046 0.000 1.191 182 L HN 0.320 nan 8.230 nan 0.000 0.459 183 P HA 0.033 nan 4.420 nan 0.000 0.266 183 P C 0.633 177.924 177.300 -0.015 0.000 1.193 183 P CA 0.293 63.382 63.100 -0.018 0.000 0.770 183 P CB 0.693 32.377 31.700 -0.026 0.000 0.836 184 I N 0.680 121.245 120.570 -0.009 0.000 2.286 184 I HA -0.031 4.140 4.170 0.001 0.000 0.245 184 I C 1.561 177.671 176.117 -0.013 0.000 1.104 184 I CA 1.649 62.944 61.300 -0.008 0.000 1.397 184 I CB -0.811 37.188 38.000 -0.002 0.000 1.072 184 I HN 0.677 nan 8.210 nan 0.000 0.417 185 G N 1.345 110.137 108.800 -0.014 0.000 2.568 185 G HA2 -0.272 3.688 3.960 0.001 0.000 0.222 185 G HA3 -0.272 3.688 3.960 0.001 0.000 0.222 185 G C -0.174 174.718 174.900 -0.013 0.000 1.321 185 G CA 0.020 45.111 45.100 -0.016 0.000 0.893 185 G HN 0.515 nan 8.290 nan 0.000 0.569 186 E N -0.503 119.688 120.200 -0.014 0.000 2.266 186 E HA 0.652 5.002 4.350 0.001 0.000 0.277 186 E C -0.297 176.294 176.600 -0.016 0.000 1.018 186 E CA -0.895 55.497 56.400 -0.013 0.000 0.840 186 E CB 0.975 30.667 29.700 -0.013 0.000 1.082 186 E HN 0.620 nan 8.360 nan 0.000 0.395 187 I N 3.293 123.854 120.570 -0.016 0.000 2.499 187 I HA 0.360 4.530 4.170 0.001 0.000 0.288 187 I C -0.391 175.706 176.117 -0.033 0.000 1.048 187 I CA -0.847 60.439 61.300 -0.024 0.000 1.062 187 I CB 1.912 39.898 38.000 -0.023 0.000 1.238 187 I HN 0.499 nan 8.210 nan 0.000 0.426 188 R N 6.402 126.878 120.500 -0.041 0.000 2.275 188 R HA 0.314 4.655 4.340 0.001 0.000 0.326 188 R C -0.547 175.710 176.300 -0.072 0.000 0.973 188 R CA -0.673 55.397 56.100 -0.051 0.000 0.854 188 R CB 1.613 31.889 30.300 -0.039 0.000 1.156 188 R HN 0.620 nan 8.270 nan 0.000 0.487 189 Q N 2.888 122.624 119.800 -0.107 0.000 2.237 189 Q HA 0.349 4.690 4.340 0.001 0.000 0.219 189 Q C -1.906 174.023 176.000 -0.119 0.000 0.999 189 Q CA -1.864 53.858 55.803 -0.136 0.000 0.959 189 Q CB 0.760 29.362 28.738 -0.226 0.000 1.173 189 Q HN 0.075 nan 8.270 nan 0.000 0.527 190 P HA -0.189 nan 4.420 nan 0.000 0.216 190 P C 0.406 177.659 177.300 -0.079 0.000 1.150 190 P CA 1.820 64.870 63.100 -0.083 0.000 0.843 190 P CB 0.046 31.701 31.700 -0.075 0.000 0.787 191 N N -1.742 116.890 118.700 -0.113 0.000 2.177 191 N HA 0.325 5.065 4.740 0.001 0.000 0.218 191 N C -0.242 175.228 175.510 -0.067 0.000 1.182 191 N CA -0.296 52.706 53.050 -0.079 0.000 0.882 191 N CB 0.561 39.011 38.487 -0.062 0.000 1.052 191 N HN -0.028 nan 8.380 nan 0.000 0.519 192 A N -0.450 122.316 122.820 -0.090 0.000 2.599 192 A HA 0.592 4.912 4.320 0.001 0.000 0.294 192 A C -1.139 176.417 177.584 -0.047 0.000 1.055 192 A CA -0.527 51.485 52.037 -0.041 0.000 0.683 192 A CB 0.548 19.561 19.000 0.022 0.000 1.278 192 A HN 0.329 nan 8.150 nan 0.000 0.412 193 T N 0.484 115.030 114.554 -0.013 0.000 2.788 193 T HA 0.610 4.961 4.350 0.001 0.000 0.296 193 T C -0.480 174.226 174.700 0.009 0.000 1.009 193 T CA -0.423 61.670 62.100 -0.012 0.000 0.949 193 T CB -0.168 68.693 68.868 -0.010 0.000 0.946 193 T HN 0.602 nan 8.240 nan 0.000 0.453 194 L N 3.464 124.692 121.223 0.009 0.000 2.325 194 L HA 0.370 4.710 4.340 0.001 0.000 0.284 194 L C 0.398 177.274 176.870 0.009 0.000 1.089 194 L CA -0.759 54.096 54.840 0.024 0.000 0.836 194 L CB 0.191 42.271 42.059 0.035 0.000 1.184 194 L HN 0.657 nan 8.230 nan 0.000 0.444 195 D N 4.908 125.314 120.400 0.010 0.000 2.374 195 D HA 0.196 4.837 4.640 0.001 0.000 0.240 195 D C 0.201 176.500 176.300 -0.003 0.000 1.229 195 D CA 0.053 54.053 54.000 0.000 0.000 0.895 195 D CB 0.762 41.561 40.800 -0.002 0.000 1.046 195 D HN 0.447 nan 8.370 nan 0.000 0.498 196 L N 2.913 124.133 121.223 -0.005 0.000 3.066 196 L HA 0.091 4.432 4.340 0.001 0.000 0.265 196 L C 1.763 178.626 176.870 -0.011 0.000 1.232 196 L CA -0.140 54.697 54.840 -0.005 0.000 1.031 196 L CB 0.148 42.208 42.059 0.000 0.000 1.379 196 L HN 0.342 nan 8.230 nan 0.000 0.563 197 S N -1.598 114.091 115.700 -0.017 0.000 2.555 197 S HA -0.101 4.370 4.470 0.001 0.000 0.230 197 S C 1.195 175.775 174.600 -0.034 0.000 0.978 197 S CA 0.427 58.612 58.200 -0.024 0.000 0.934 197 S CB -0.095 63.089 63.200 -0.026 0.000 0.766 197 S HN 0.542 nan 8.310 nan 0.000 0.533 198 Q N 1.294 121.073 119.800 -0.035 0.000 2.241 198 Q HA 0.272 4.612 4.340 0.001 0.000 0.296 198 Q C 1.026 177.012 176.000 -0.022 0.000 0.889 198 Q CA 0.043 55.816 55.803 -0.050 0.000 1.089 198 Q CB 0.579 29.266 28.738 -0.085 0.000 1.195 198 Q HN 0.728 nan 8.270 nan 0.000 0.451 199 S N -1.793 113.906 115.700 -0.001 0.000 2.481 199 S HA -0.069 4.401 4.470 0.001 0.000 0.231 199 S C 1.742 176.376 174.600 0.056 0.000 0.996 199 S CA 0.371 58.587 58.200 0.026 0.000 0.942 199 S CB -0.032 63.181 63.200 0.021 0.000 0.768 199 S HN 0.206 nan 8.310 nan 0.000 0.520 200 V N 2.858 122.796 119.914 0.039 0.000 2.323 200 V HA -0.145 3.975 4.120 0.001 0.000 0.244 200 V C 2.441 178.616 176.094 0.135 0.000 1.041 200 V CA 2.090 64.429 62.300 0.064 0.000 1.025 200 V CB -0.617 31.213 31.823 0.012 0.000 0.656 200 V HN 0.478 nan 8.190 nan 0.000 0.451 201 D N -0.102 120.345 120.400 0.078 0.000 2.117 201 D HA -0.171 4.469 4.640 0.001 0.000 0.197 201 D C 2.033 178.555 176.300 0.370 0.000 0.987 201 D CA 1.281 55.368 54.000 0.145 0.000 0.829 201 D CB -0.389 40.220 40.800 -0.319 0.000 0.961 201 D HN 0.352 nan 8.370 nan 0.000 0.460 202 N N 1.672 120.493 118.700 0.201 0.000 2.007 202 N HA -0.235 4.505 4.740 0.001 0.000 0.197 202 N C 1.700 177.367 175.510 0.263 0.000 1.050 202 N CA 1.729 54.901 53.050 0.204 0.000 0.856 202 N CB -0.304 38.233 38.487 0.085 0.000 1.050 202 N HN 0.270 nan 8.380 nan 0.000 0.423 203 E N -1.213 119.119 120.200 0.220 0.000 2.058 203 E HA -0.261 4.089 4.350 0.001 0.000 0.194 203 E C 2.048 178.820 176.600 0.286 0.000 0.997 203 E CA 1.193 57.727 56.400 0.225 0.000 0.801 203 E CB -0.430 29.382 29.700 0.186 0.000 0.746 203 E HN 0.477 nan 8.360 nan 0.000 0.450 204 Y N 0.181 120.614 120.300 0.223 0.000 2.069 204 Y HA -0.371 4.180 4.550 0.001 0.000 0.278 204 Y C 2.135 178.175 175.900 0.234 0.000 1.175 204 Y CA 2.374 60.615 58.100 0.235 0.000 1.134 204 Y CB -0.993 37.635 38.460 0.280 0.000 0.965 204 Y HN 0.270 nan 8.280 nan 0.000 0.498 205 Y N -0.415 119.970 120.300 0.142 0.000 2.114 205 Y HA -0.368 4.182 4.550 0.001 0.000 0.282 205 Y C 2.633 178.528 175.900 -0.009 0.000 1.165 205 Y CA 2.141 60.239 58.100 -0.004 0.000 1.148 205 Y CB -0.878 37.676 38.460 0.156 0.000 0.972 205 Y HN 0.278 nan 8.280 nan 0.000 0.504 206 C N -0.185 119.275 119.300 0.266 0.000 2.457 206 C HA -0.108 4.352 4.460 0.001 0.000 0.278 206 C C 2.751 177.863 174.990 0.204 0.000 1.309 206 C CA 0.874 60.051 59.018 0.266 0.000 1.735 206 C CB -1.335 26.547 27.740 0.237 0.000 1.992 206 C HN 0.591 nan 8.230 nan 0.000 0.493 207 L N 0.367 121.661 121.223 0.117 0.000 2.027 207 L HA -0.145 4.195 4.340 0.001 0.000 0.206 207 L C 2.517 179.360 176.870 -0.044 0.000 1.074 207 L CA 1.447 56.331 54.840 0.073 0.000 0.745 207 L CB -0.640 41.477 42.059 0.097 0.000 0.898 207 L HN 0.373 nan 8.230 nan 0.000 0.433 208 L N -0.805 120.295 121.223 -0.205 0.000 2.012 208 L HA -0.271 4.069 4.340 0.001 0.000 0.210 208 L C 2.599 179.354 176.870 -0.192 0.000 1.073 208 L CA 0.867 55.558 54.840 -0.249 0.000 0.748 208 L CB -0.741 41.065 42.059 -0.422 0.000 0.891 208 L HN 0.219 nan 8.230 nan 0.000 0.431 209 L N 0.398 121.491 121.223 -0.217 0.000 2.051 209 L HA -0.248 4.092 4.340 0.001 0.000 0.214 209 L C 2.613 179.497 176.870 0.023 0.000 1.076 209 L CA 2.167 56.963 54.840 -0.072 0.000 0.758 209 L CB -0.752 41.320 42.059 0.021 0.000 0.890 209 L HN 0.220 nan 8.230 nan 0.000 0.433 210 A N -1.273 121.534 122.820 -0.022 0.000 1.897 210 A HA -0.200 4.120 4.320 0.001 0.000 0.215 210 A C 2.433 179.924 177.584 -0.154 0.000 1.181 210 A CA 1.630 53.469 52.037 -0.330 0.000 0.620 210 A CB -0.517 18.295 19.000 -0.313 0.000 0.821 210 A HN 0.447 nan 8.150 nan 0.000 0.443 211 K N -0.382 119.979 120.400 -0.066 0.000 1.991 211 K HA -0.196 4.125 4.320 0.001 0.000 0.212 211 K C 1.875 178.458 176.600 -0.029 0.000 1.049 211 K CA 1.563 57.832 56.287 -0.030 0.000 0.932 211 K CB -0.195 32.291 32.500 -0.023 0.000 0.717 211 K HN 0.339 nan 8.250 nan 0.000 0.441 212 E N 0.626 120.803 120.200 -0.039 0.000 2.208 212 E HA -0.217 4.134 4.350 0.001 0.000 0.202 212 E C 1.677 178.280 176.600 0.005 0.000 1.014 212 E CA 1.231 57.617 56.400 -0.022 0.000 0.819 212 E CB -0.148 29.531 29.700 -0.035 0.000 0.735 212 E HN 0.399 nan 8.360 nan 0.000 0.469 213 L N -0.415 120.818 121.223 0.016 0.000 2.653 213 L HA 0.200 4.540 4.340 0.001 0.000 0.232 213 L C 1.218 178.077 176.870 -0.018 0.000 1.169 213 L CA 0.226 55.096 54.840 0.049 0.000 0.951 213 L CB -0.075 42.123 42.059 0.233 0.000 1.181 213 L HN 0.126 nan 8.230 nan 0.000 0.460 214 G N 0.705 109.498 108.800 -0.011 0.000 2.203 214 G HA2 -0.302 3.659 3.960 0.001 0.000 0.263 214 G HA3 -0.302 3.659 3.960 0.001 0.000 0.263 214 G C 0.203 175.123 174.900 0.035 0.000 1.012 214 G CA 0.033 45.136 45.100 0.005 0.000 0.749 214 G HN 0.296 nan 8.290 nan 0.000 0.512 215 L N 0.143 121.376 121.223 0.017 0.000 2.380 215 L HA 0.307 4.647 4.340 0.001 0.000 0.273 215 L C 0.785 177.726 176.870 0.117 0.000 1.138 215 L CA -0.937 53.960 54.840 0.095 0.000 0.832 215 L CB 0.702 42.761 42.059 -0.001 0.000 1.124 215 L HN 0.117 nan 8.230 nan 0.000 0.454 216 N N 2.750 121.554 118.700 0.174 0.000 2.442 216 N HA 0.372 5.113 4.740 0.001 0.000 0.265 216 N C -1.010 174.564 175.510 0.107 0.000 1.138 216 N CA -0.159 52.944 53.050 0.089 0.000 0.956 216 N CB 0.745 39.234 38.487 0.005 0.000 1.067 216 N HN 0.393 nan 8.380 nan 0.000 0.474 217 V N 1.627 121.603 119.914 0.103 0.000 3.147 217 V HA 0.744 4.865 4.120 0.001 0.000 0.306 217 V C -2.568 173.624 176.094 0.164 0.000 1.209 217 V CA -1.814 60.579 62.300 0.154 0.000 1.023 217 V CB 1.673 33.601 31.823 0.175 0.000 1.059 217 V HN 0.482 nan 8.190 nan 0.000 0.435 218 P HA 0.305 nan 4.420 nan 0.000 0.274 218 P C -0.960 176.452 177.300 0.186 0.000 1.237 218 P CA 0.033 63.282 63.100 0.247 0.000 0.793 218 P CB 0.560 32.453 31.700 0.322 0.000 0.977 219 D N -0.072 120.429 120.400 0.168 0.000 2.389 219 D HA 0.429 5.070 4.640 0.001 0.000 0.247 219 D C -0.016 176.411 176.300 0.212 0.000 1.128 219 D CA 0.505 54.606 54.000 0.170 0.000 0.884 219 D CB 0.660 41.554 40.800 0.157 0.000 1.194 219 D HN 0.415 nan 8.370 nan 0.000 0.441 220 A N 2.210 125.185 122.820 0.257 0.000 2.435 220 A HA 0.625 4.946 4.320 0.001 0.000 0.304 220 A C -0.602 177.205 177.584 0.372 0.000 1.064 220 A CA -0.780 51.449 52.037 0.319 0.000 0.727 220 A CB 1.565 20.776 19.000 0.351 0.000 1.284 220 A HN 0.584 nan 8.150 nan 0.000 0.415 221 E N 1.466 121.832 120.200 0.276 0.000 2.343 221 E HA 0.642 4.992 4.350 0.001 0.000 0.270 221 E C -1.487 175.113 176.600 -0.000 0.000 0.895 221 E CA -0.773 55.715 56.400 0.146 0.000 0.767 221 E CB 1.507 31.305 29.700 0.163 0.000 1.248 221 E HN 0.472 nan 8.360 nan 0.000 0.440 222 I N 3.505 123.944 120.570 -0.219 0.000 2.471 222 I HA 0.189 4.360 4.170 0.001 0.000 0.286 222 I C 0.312 176.399 176.117 -0.051 0.000 1.079 222 I CA -0.308 60.898 61.300 -0.157 0.000 1.398 222 I CB 0.316 38.172 38.000 -0.239 0.000 1.403 222 I HN 0.452 nan 8.210 nan 0.000 0.530 223 I N 4.778 125.329 120.570 -0.032 0.000 2.693 223 I HA 0.701 4.871 4.170 0.001 0.000 0.303 223 I C -0.721 175.378 176.117 -0.029 0.000 1.025 223 I CA -0.751 60.551 61.300 0.004 0.000 1.086 223 I CB 1.922 39.939 38.000 0.028 0.000 1.268 223 I HN 0.574 nan 8.210 nan 0.000 0.440 229 R N 3.076 123.545 120.500 -0.053 0.000 2.539 229 R HA 0.815 5.155 4.340 0.001 0.000 0.295 229 R C -0.797 175.466 176.300 -0.062 0.000 1.138 229 R CA 0.097 56.164 56.100 -0.056 0.000 0.936 229 R CB 1.658 31.926 30.300 -0.053 0.000 1.182 229 R HN 0.995 nan 8.270 nan 0.000 0.459 230 A N 3.579 126.354 122.820 -0.076 0.000 2.386 230 A HA 0.597 4.917 4.320 0.001 0.000 0.308 230 A C -1.588 175.955 177.584 -0.068 0.000 1.128 230 A CA -0.741 51.246 52.037 -0.083 0.000 0.789 230 A CB 1.519 20.439 19.000 -0.133 0.000 1.325 230 A HN 0.535 nan 8.150 nan 0.000 0.437 231 L N 1.471 122.672 121.223 -0.037 0.000 2.260 231 L HA 0.622 4.963 4.340 0.001 0.000 0.289 231 L C 0.456 177.324 176.870 -0.004 0.000 1.057 231 L CA 0.045 54.892 54.840 0.013 0.000 0.811 231 L CB 0.779 42.885 42.059 0.079 0.000 1.184 231 L HN 0.774 nan 8.230 nan 0.000 0.429 232 A N 5.637 128.475 122.820 0.031 0.000 2.269 232 A HA 0.644 4.964 4.320 0.001 0.000 0.302 232 A C -0.816 176.924 177.584 0.260 0.000 1.266 232 A CA -0.461 51.635 52.037 0.098 0.000 0.894 232 A CB 0.275 19.367 19.000 0.153 0.000 1.147 232 A HN 0.470 nan 8.150 nan 0.000 0.537 233 V N 3.369 123.431 119.914 0.246 0.000 2.378 233 V HA 0.237 4.357 4.120 0.001 0.000 0.288 233 V C 0.369 176.524 176.094 0.101 0.000 1.016 233 V CA -0.692 61.727 62.300 0.197 0.000 0.840 233 V CB 1.287 33.182 31.823 0.121 0.000 0.994 233 V HN 0.999 nan 8.190 nan 0.000 0.431 234 E N 4.515 124.733 120.200 0.030 0.000 2.415 234 E HA 0.089 4.440 4.350 0.001 0.000 0.260 234 E C 0.028 176.502 176.600 -0.209 0.000 1.016 234 E CA -0.221 56.005 56.400 -0.290 0.000 0.924 234 E CB 0.504 30.153 29.700 -0.086 0.000 0.961 234 E HN 0.498 nan 8.360 nan 0.000 0.459 235 R N 3.575 123.887 120.500 -0.314 0.000 2.438 235 R HA 0.076 4.417 4.340 0.001 0.000 0.287 235 R C 0.596 176.778 176.300 -0.197 0.000 1.077 235 R CA -0.011 55.889 56.100 -0.334 0.000 1.034 235 R CB 0.351 30.465 30.300 -0.309 0.000 0.993 235 R HN 0.587 nan 8.270 nan 0.000 0.459 236 F N -0.350 119.579 119.950 -0.035 0.000 2.695 236 F HA 0.218 4.746 4.527 0.001 0.000 0.303 236 F C 0.608 176.503 175.800 0.158 0.000 1.091 236 F CA -0.697 57.341 58.000 0.063 0.000 1.300 236 F CB 0.295 39.362 39.000 0.112 0.000 1.071 236 F HN 0.376 nan 8.300 nan 0.000 0.578 237 D N -0.060 120.391 120.400 0.085 0.000 2.427 237 D HA 0.125 4.766 4.640 0.001 0.000 0.224 237 D C 0.160 176.468 176.300 0.012 0.000 1.157 237 D CA -0.049 54.049 54.000 0.164 0.000 0.828 237 D CB 0.010 40.825 40.800 0.024 0.000 0.974 237 D HN 0.094 nan 8.370 nan 0.000 0.498 238 R N 0.672 121.148 120.500 -0.040 0.000 2.686 238 R HA 0.624 4.964 4.340 0.001 0.000 0.283 238 R C -0.680 175.551 176.300 -0.116 0.000 0.978 238 R CA -0.595 55.432 56.100 -0.121 0.000 0.897 238 R CB 2.422 32.611 30.300 -0.186 0.000 1.192 238 R HN 0.102 nan 8.270 nan 0.000 0.457 239 R N 1.706 122.107 120.500 -0.164 0.000 2.561 239 R HA 0.242 4.582 4.340 0.001 0.000 0.266 239 R C -1.157 175.070 176.300 -0.122 0.000 1.091 239 R CA -0.557 55.486 56.100 -0.095 0.000 0.927 239 R CB 1.436 31.720 30.300 -0.026 0.000 1.240 239 R HN 0.567 nan 8.270 nan 0.000 0.449 240 W N 1.979 123.285 121.300 0.010 0.000 2.093 240 W HA 0.194 4.855 4.660 0.001 0.000 0.352 240 W C 1.035 177.560 176.519 0.011 0.000 1.294 240 W CA 0.005 57.356 57.345 0.010 0.000 1.290 240 W CB 0.390 29.856 29.460 0.009 0.000 1.149 240 W HN 0.426 nan 8.180 nan 0.000 0.606 241 N N 0.836 119.819 118.700 0.472 0.000 2.492 241 N HA 0.047 4.787 4.740 0.001 0.000 0.260 241 N C 0.892 176.504 175.510 0.170 0.000 1.215 241 N CA 0.676 53.877 53.050 0.253 0.000 0.923 241 N CB 1.254 39.885 38.487 0.239 0.000 1.092 241 N HN 0.529 nan 8.380 nan 0.000 0.448 242 A N 3.884 126.772 122.820 0.114 0.000 1.869 242 A HA -0.220 4.100 4.320 0.001 0.000 0.218 242 A C 1.397 179.011 177.584 0.050 0.000 1.203 242 A CA 1.801 53.882 52.037 0.073 0.000 0.638 242 A CB -0.683 18.352 19.000 0.058 0.000 0.831 242 A HN 0.856 nan 8.150 nan 0.000 0.450 243 E N -0.009 120.220 120.200 0.048 0.000 2.501 243 E HA -0.176 4.174 4.350 0.001 0.000 0.203 243 E C -0.294 176.302 176.600 -0.006 0.000 1.072 243 E CA 0.658 57.071 56.400 0.021 0.000 0.885 243 E CB -0.479 29.239 29.700 0.029 0.000 0.813 243 E HN 0.525 nan 8.360 nan 0.000 0.556 244 R N 0.138 120.644 120.500 0.011 0.000 3.405 244 R HA -0.173 4.167 4.340 0.001 0.000 0.258 244 R C 0.845 177.030 176.300 -0.192 0.000 1.030 244 R CA 1.320 57.367 56.100 -0.087 0.000 0.691 244 R CB -3.037 27.144 30.300 -0.198 0.000 1.093 244 R HN 0.437 nan 8.270 nan 0.000 0.448 245 T N -2.668 111.905 114.554 0.033 0.000 2.975 245 T HA 0.307 4.658 4.350 0.001 0.000 0.261 245 T C 0.106 174.988 174.700 0.303 0.000 0.984 245 T CA 0.525 62.651 62.100 0.044 0.000 0.911 245 T CB 0.702 69.596 68.868 0.043 0.000 1.127 245 T HN 0.048 nan 8.240 nan 0.000 0.514 246 V N 2.323 122.566 119.914 0.549 0.000 2.655 246 V HA 0.444 4.565 4.120 0.001 0.000 0.301 246 V C -0.471 175.763 176.094 0.233 0.000 1.082 246 V CA -1.069 61.484 62.300 0.422 0.000 0.899 246 V CB 1.969 33.892 31.823 0.166 0.000 1.014 246 V HN 0.306 nan 8.190 nan 0.000 0.429 247 L N 5.499 126.446 121.223 -0.460 0.000 2.597 247 L HA 0.241 4.581 4.340 0.001 0.000 0.271 247 L C -0.200 176.486 176.870 -0.307 0.000 1.157 247 L CA 0.243 54.603 54.840 -0.800 0.000 0.928 247 L CB 0.264 41.793 42.059 -0.882 0.000 1.216 247 L HN 0.501 nan 8.230 nan 0.000 0.481 248 L N 4.981 126.086 121.223 -0.198 0.000 2.399 248 L HA 0.435 4.776 4.340 0.001 0.000 0.266 248 L C 0.322 177.124 176.870 -0.112 0.000 1.114 248 L CA -0.592 54.184 54.840 -0.107 0.000 0.804 248 L CB 0.532 42.568 42.059 -0.037 0.000 1.146 248 L HN 0.517 nan 8.230 nan 0.000 0.451 249 R N 2.285 122.746 120.500 -0.065 0.000 2.346 249 R HA 0.572 4.913 4.340 0.001 0.000 0.311 249 R C -1.127 175.183 176.300 0.015 0.000 0.983 249 R CA -0.670 55.408 56.100 -0.036 0.000 0.880 249 R CB 1.313 31.595 30.300 -0.031 0.000 1.100 249 R HN 0.481 nan 8.270 nan 0.000 0.453 250 L N 5.006 126.261 121.223 0.053 0.000 2.275 250 L HA 0.383 4.724 4.340 0.001 0.000 0.288 250 L C -2.142 174.837 176.870 0.183 0.000 1.046 250 L CA -2.377 52.530 54.840 0.111 0.000 0.805 250 L CB 1.397 43.525 42.059 0.116 0.000 1.193 250 L HN 0.258 nan 8.230 nan 0.000 0.426 251 P HA 0.043 nan 4.420 nan 0.000 0.267 251 P C -1.189 176.273 177.300 0.271 0.000 1.205 251 P CA -0.013 63.203 63.100 0.194 0.000 0.765 251 P CB 0.563 32.379 31.700 0.194 0.000 0.828 252 Q N 1.638 121.553 119.800 0.191 0.000 2.578 252 Q HA 0.567 4.908 4.340 0.001 0.000 0.284 252 Q C -1.674 174.370 176.000 0.074 0.000 0.960 252 Q CA -0.964 54.926 55.803 0.144 0.000 0.809 252 Q CB 2.216 31.016 28.738 0.104 0.000 1.462 252 Q HN 0.488 nan 8.270 nan 0.000 0.392 253 E N 0.564 120.787 120.200 0.039 0.000 2.429 253 E HA 0.491 4.841 4.350 0.001 0.000 0.276 253 E C -1.403 175.180 176.600 -0.028 0.000 0.953 253 E CA -0.850 55.555 56.400 0.008 0.000 0.787 253 E CB 1.786 31.527 29.700 0.069 0.000 1.307 253 E HN 0.710 nan 8.360 nan 0.000 0.458 254 D N 0.629 121.002 120.400 -0.044 0.000 2.423 254 D HA 0.103 4.743 4.640 0.001 0.000 0.255 254 D C 1.064 177.309 176.300 -0.092 0.000 1.174 254 D CA -0.630 53.365 54.000 -0.009 0.000 1.008 254 D CB 0.557 41.376 40.800 0.031 0.000 1.101 254 D HN 0.367 nan 8.370 nan 0.000 0.516 255 M N 0.064 119.628 119.600 -0.059 0.000 2.394 255 M HA -0.015 4.465 4.480 0.001 0.000 0.264 255 M C 2.099 178.287 176.300 -0.186 0.000 1.073 255 M CA 0.528 55.683 55.300 -0.241 0.000 1.111 255 M CB -1.204 31.352 32.600 -0.073 0.000 1.401 255 M HN 0.751 nan 8.290 nan 0.000 0.448 256 C N 1.140 120.421 119.300 -0.031 0.000 2.453 256 C HA -0.166 4.294 4.460 0.001 0.000 0.277 256 C C 2.494 177.461 174.990 -0.038 0.000 1.262 256 C CA 1.001 60.026 59.018 0.011 0.000 1.718 256 C CB -0.989 26.768 27.740 0.028 0.000 2.031 256 C HN 0.562 nan 8.230 nan 0.000 0.480 257 Q N 0.058 119.809 119.800 -0.081 0.000 2.124 257 Q HA -0.156 4.184 4.340 0.001 0.000 0.202 257 Q C 2.423 178.366 176.000 -0.095 0.000 0.977 257 Q CA 2.298 58.075 55.803 -0.042 0.000 0.850 257 Q CB -0.356 28.363 28.738 -0.032 0.000 0.901 257 Q HN 0.722 nan 8.270 nan 0.000 0.429 258 T N -0.129 114.242 114.554 -0.304 0.000 2.788 258 T HA -0.104 4.246 4.350 0.001 0.000 0.268 258 T C 0.632 175.034 174.700 -0.497 0.000 1.044 258 T CA 0.992 62.766 62.100 -0.543 0.000 1.139 258 T CB -0.060 68.187 68.868 -1.035 0.000 0.867 258 T HN 0.157 nan 8.240 nan 0.000 0.454 259 F N 0.327 120.160 119.950 -0.194 0.000 2.693 259 F HA 0.410 4.937 4.527 0.001 0.000 0.303 259 F C 1.818 177.580 175.800 -0.063 0.000 1.097 259 F CA -0.450 57.461 58.000 -0.149 0.000 1.330 259 F CB -0.456 38.456 39.000 -0.146 0.000 1.067 259 F HN 0.238 nan 8.300 nan 0.000 0.565 260 G N 0.757 109.609 108.800 0.086 0.000 2.136 260 G HA2 -0.273 3.688 3.960 0.001 0.000 0.242 260 G HA3 -0.273 3.688 3.960 0.001 0.000 0.242 260 G C 0.010 174.967 174.900 0.095 0.000 0.989 260 G CA -0.037 45.117 45.100 0.090 0.000 0.682 260 G HN 0.301 nan 8.290 nan 0.000 0.522 261 L N 0.172 121.450 121.223 0.093 0.000 2.334 261 L HA 0.581 4.921 4.340 0.001 0.000 0.270 261 L C -1.663 175.250 176.870 0.071 0.000 1.018 261 L CA -2.687 52.203 54.840 0.084 0.000 0.811 261 L CB 1.594 43.710 42.059 0.096 0.000 1.271 261 L HN -0.117 nan 8.230 nan 0.000 0.443 272 G N -0.282 108.541 108.800 0.038 0.000 3.367 272 G HA2 0.373 4.333 3.960 0.001 0.000 0.686 272 G HA3 0.373 4.333 3.960 0.001 0.000 0.686 272 G C -2.557 172.377 174.900 0.056 0.000 1.146 272 G CA -0.149 44.995 45.100 0.074 0.000 0.913 272 G HN 0.753 nan 8.290 nan 0.000 0.554 273 P HA 0.413 nan 4.420 nan 0.000 0.261 273 P C 1.018 178.360 177.300 0.070 0.000 1.183 273 P CA 1.031 64.125 63.100 -0.011 0.000 0.761 273 P CB 0.831 32.560 31.700 0.049 0.000 0.785 274 G N 1.551 110.372 108.800 0.036 0.000 2.736 274 G HA2 0.282 4.242 3.960 0.001 0.000 0.229 274 G HA3 0.282 4.242 3.960 0.001 0.000 0.229 274 G C 1.016 175.975 174.900 0.098 0.000 1.380 274 G CA -0.791 44.354 45.100 0.074 0.000 1.040 274 G HN 0.386 nan 8.290 nan 0.000 0.568 275 I N 0.752 121.399 120.570 0.127 0.000 2.163 275 I HA -0.213 3.958 4.170 0.001 0.000 0.243 275 I C 3.208 179.397 176.117 0.121 0.000 1.085 275 I CA 1.514 62.938 61.300 0.206 0.000 1.347 275 I CB -0.344 37.751 38.000 0.158 0.000 1.044 275 I HN 0.459 nan 8.210 nan 0.000 0.408 276 A N 1.108 123.967 122.820 0.065 0.000 1.849 276 A HA -0.250 4.071 4.320 0.001 0.000 0.217 276 A C 2.430 180.023 177.584 0.015 0.000 1.202 276 A CA 1.842 53.902 52.037 0.038 0.000 0.629 276 A CB -0.772 18.241 19.000 0.023 0.000 0.834 276 A HN 0.298 nan 8.150 nan 0.000 0.447 277 R N -0.718 119.764 120.500 -0.030 0.000 2.096 277 R HA -0.149 4.191 4.340 0.001 0.000 0.240 277 R C 2.085 178.403 176.300 0.030 0.000 1.139 277 R CA 1.825 57.873 56.100 -0.087 0.000 0.952 277 R CB -0.628 29.489 30.300 -0.305 0.000 0.854 277 R HN 0.630 nan 8.270 nan 0.000 0.436 278 I N 0.323 120.909 120.570 0.027 0.000 2.286 278 I HA -0.283 3.887 4.170 0.001 0.000 0.248 278 I C 2.479 178.543 176.117 -0.088 0.000 1.115 278 I CA 1.032 62.321 61.300 -0.019 0.000 1.392 278 I CB -0.180 37.604 38.000 -0.361 0.000 1.065 278 I HN 0.175 nan 8.210 nan 0.000 0.418 279 M N 0.313 119.862 119.600 -0.085 0.000 2.132 279 M HA -0.135 4.346 4.480 0.001 0.000 0.263 279 M C 2.663 178.996 176.300 0.054 0.000 1.065 279 M CA 1.770 57.054 55.300 -0.027 0.000 1.122 279 M CB -1.156 31.470 32.600 0.043 0.000 1.365 279 M HN 0.304 nan 8.290 nan 0.000 0.411 280 A N 0.489 123.361 122.820 0.086 0.000 1.849 280 A HA -0.255 4.066 4.320 0.001 0.000 0.217 280 A C 2.071 179.761 177.584 0.176 0.000 1.202 280 A CA 1.919 54.025 52.037 0.115 0.000 0.629 280 A CB -1.406 17.654 19.000 0.100 0.000 0.834 280 A HN 0.446 nan 8.150 nan 0.000 0.447 281 F N 0.427 120.430 119.950 0.089 0.000 2.115 281 F HA -0.207 4.321 4.527 0.001 0.000 0.300 281 F C 1.863 177.764 175.800 0.168 0.000 1.092 281 F CA 1.957 60.044 58.000 0.144 0.000 1.245 281 F CB -0.261 38.851 39.000 0.186 0.000 0.995 281 F HN 0.154 nan 8.300 nan 0.000 0.481 282 L N -0.802 120.411 121.223 -0.016 0.000 2.313 282 L HA -0.149 4.192 4.340 0.001 0.000 0.214 282 L C 2.294 179.114 176.870 -0.084 0.000 1.119 282 L CA 0.487 55.260 54.840 -0.113 0.000 0.809 282 L CB -0.479 41.535 42.059 -0.075 0.000 0.933 282 L HN 0.235 nan 8.230 nan 0.000 0.449 283 M N 0.327 119.914 119.600 -0.023 0.000 2.195 283 M HA -0.137 4.343 4.480 0.001 0.000 0.260 283 M C 1.753 178.009 176.300 -0.074 0.000 1.066 283 M CA 1.594 56.884 55.300 -0.016 0.000 1.089 283 M CB -0.691 31.928 32.600 0.030 0.000 1.377 283 M HN 0.105 nan 8.290 nan 0.000 0.411 284 G N -0.887 107.845 108.800 -0.114 0.000 3.088 284 G HA2 0.109 4.070 3.960 0.001 0.000 0.212 284 G HA3 0.109 4.070 3.960 0.001 0.000 0.212 284 G C 0.509 175.069 174.900 -0.566 0.000 1.173 284 G CA 0.428 45.409 45.100 -0.198 0.000 0.779 284 G HN 0.528 nan 8.290 nan 0.000 0.540 285 S N -0.002 115.382 115.700 -0.527 0.000 2.614 285 S HA 0.251 4.721 4.470 0.001 0.000 0.265 285 S C 1.962 176.291 174.600 -0.451 0.000 1.303 285 S CA 0.478 58.250 58.200 -0.713 0.000 1.000 285 S CB 1.193 64.209 63.200 -0.307 0.000 0.935 285 S HN 0.380 nan 8.310 nan 0.000 0.551 286 S N 1.195 116.667 115.700 -0.379 0.000 2.555 286 S HA 0.147 4.617 4.470 0.001 0.000 0.230 286 S C 0.266 174.790 174.600 -0.126 0.000 0.978 286 S CA 0.226 58.299 58.200 -0.211 0.000 0.934 286 S CB -0.206 62.898 63.200 -0.159 0.000 0.766 286 S HN 0.718 nan 8.310 nan 0.000 0.533 287 E N 0.574 120.707 120.200 -0.112 0.000 3.846 287 E HA 0.494 4.845 4.350 0.001 0.000 0.216 287 E C 0.897 177.476 176.600 -0.035 0.000 1.092 287 E CA 0.085 56.454 56.400 -0.052 0.000 1.370 287 E CB 0.646 30.333 29.700 -0.021 0.000 1.227 287 E HN 0.420 nan 8.360 nan 0.000 0.442 288 A N 0.509 123.296 122.820 -0.055 0.000 1.883 288 A HA -0.176 4.145 4.320 0.001 0.000 0.217 288 A C 2.025 179.640 177.584 0.050 0.000 1.186 288 A CA 1.271 53.292 52.037 -0.027 0.000 0.624 288 A CB -0.307 18.669 19.000 -0.042 0.000 0.822 288 A HN 0.351 nan 8.150 nan 0.000 0.444 289 L N -1.005 120.252 121.223 0.055 0.000 2.095 289 L HA -0.086 4.254 4.340 0.001 0.000 0.204 289 L C 2.545 179.513 176.870 0.163 0.000 1.080 289 L CA 1.641 56.549 54.840 0.113 0.000 0.759 289 L CB -0.456 41.645 42.059 0.070 0.000 0.914 289 L HN 0.407 nan 8.230 nan 0.000 0.439 290 K N 0.400 120.863 120.400 0.104 0.000 2.057 290 K HA -0.209 4.111 4.320 0.001 0.000 0.207 290 K C 1.596 178.320 176.600 0.207 0.000 1.049 290 K CA 1.874 58.241 56.287 0.134 0.000 0.931 290 K CB 0.019 32.558 32.500 0.065 0.000 0.714 290 K HN 0.195 nan 8.250 nan 0.000 0.440 291 D N 0.073 120.560 120.400 0.146 0.000 2.183 291 D HA -0.071 4.569 4.640 0.001 0.000 0.203 291 D C 1.925 178.352 176.300 0.212 0.000 0.969 291 D CA 0.888 54.978 54.000 0.150 0.000 0.842 291 D CB 0.087 40.924 40.800 0.061 0.000 0.957 291 D HN 0.243 nan 8.370 nan 0.000 0.484 292 R N -0.782 119.841 120.500 0.205 0.000 2.119 292 R HA -0.071 4.270 4.340 0.001 0.000 0.222 292 R C 2.071 178.487 176.300 0.194 0.000 1.088 292 R CA 0.504 56.723 56.100 0.198 0.000 0.984 292 R CB -0.244 30.190 30.300 0.223 0.000 0.884 292 R HN 0.263 nan 8.270 nan 0.000 0.447 293 Y N 2.285 122.716 120.300 0.217 0.000 2.130 293 Y HA -0.187 4.364 4.550 0.001 0.000 0.287 293 Y C 1.723 177.724 175.900 0.169 0.000 1.124 293 Y CA 1.660 59.913 58.100 0.255 0.000 1.118 293 Y CB -0.145 38.473 38.460 0.264 0.000 0.994 293 Y HN -0.048 nan 8.280 nan 0.000 0.497 294 D N -0.100 120.516 120.400 0.360 0.000 2.158 294 D HA -0.250 4.391 4.640 0.001 0.000 0.197 294 D C 1.935 178.453 176.300 0.363 0.000 0.995 294 D CA 1.659 55.870 54.000 0.352 0.000 0.846 294 D CB -0.740 40.335 40.800 0.457 0.000 0.941 294 D HN 0.444 nan 8.370 nan 0.000 0.456 295 F N 0.477 120.551 119.950 0.206 0.000 2.206 295 F HA -0.078 4.450 4.527 0.001 0.000 0.298 295 F C 2.130 177.942 175.800 0.020 0.000 1.090 295 F CA 0.845 58.955 58.000 0.184 0.000 1.323 295 F CB 0.018 39.061 39.000 0.072 0.000 1.028 295 F HN -0.195 nan 8.300 nan 0.000 0.492 296 M N 0.303 119.824 119.600 -0.133 0.000 2.156 296 M HA -0.120 4.361 4.480 0.001 0.000 0.264 296 M C 2.266 178.417 176.300 -0.247 0.000 1.067 296 M CA 1.359 56.473 55.300 -0.310 0.000 1.131 296 M CB -1.234 30.985 32.600 -0.634 0.000 1.368 296 M HN 0.127 nan 8.290 nan 0.000 0.416 297 K N -0.208 120.050 120.400 -0.237 0.000 2.113 297 K HA -0.224 4.096 4.320 0.001 0.000 0.208 297 K C 1.859 178.480 176.600 0.034 0.000 1.047 297 K CA 1.594 57.807 56.287 -0.123 0.000 0.928 297 K CB -0.291 32.092 32.500 -0.195 0.000 0.716 297 K HN 0.157 nan 8.250 nan 0.000 0.446 298 F N 1.327 121.130 119.950 -0.246 0.000 2.456 298 F HA -0.072 4.455 4.527 0.001 0.000 0.298 298 F C 1.988 177.670 175.800 -0.197 0.000 1.104 298 F CA 0.816 58.623 58.000 -0.322 0.000 1.435 298 F CB 0.169 38.659 39.000 -0.850 0.000 1.078 298 F HN 0.087 nan 8.300 nan 0.000 0.546 299 Q N -0.151 119.520 119.800 -0.215 0.000 2.167 299 Q HA -0.075 4.265 4.340 0.001 0.000 0.202 299 Q C 2.504 178.490 176.000 -0.022 0.000 0.970 299 Q CA 1.264 56.987 55.803 -0.134 0.000 0.855 299 Q CB -0.866 27.841 28.738 -0.052 0.000 0.911 299 Q HN 0.371 nan 8.270 nan 0.000 0.438 300 V N 0.400 120.208 119.914 -0.177 0.000 2.346 300 V HA -0.157 3.963 4.120 0.001 0.000 0.244 300 V C 1.967 177.919 176.094 -0.237 0.000 1.037 300 V CA 1.187 63.274 62.300 -0.355 0.000 1.029 300 V CB -0.700 30.818 31.823 -0.509 0.000 0.663 300 V HN 0.161 nan 8.190 nan 0.000 0.454 301 F N 1.289 120.967 119.950 -0.454 0.000 2.120 301 F HA -0.281 4.246 4.527 0.001 0.000 0.300 301 F C 2.448 177.949 175.800 -0.499 0.000 1.095 301 F CA 2.138 59.799 58.000 -0.564 0.000 1.249 301 F CB -0.292 38.445 39.000 -0.438 0.000 0.995 301 F HN 0.174 nan 8.300 nan 0.000 0.480 302 Q N -1.515 117.933 119.800 -0.587 0.000 2.123 302 Q HA -0.214 4.127 4.340 0.001 0.000 0.199 302 Q C 2.044 177.826 176.000 -0.363 0.000 0.966 302 Q CA 1.496 56.942 55.803 -0.595 0.000 0.845 302 Q CB -0.676 27.792 28.738 -0.451 0.000 0.907 302 Q HN 0.677 nan 8.270 nan 0.000 0.439 303 W N 1.624 122.736 121.300 -0.314 0.000 2.317 303 W HA -0.251 4.410 4.660 0.001 0.000 0.318 303 W C 1.509 177.898 176.519 -0.217 0.000 1.227 303 W CA 1.540 58.778 57.345 -0.180 0.000 1.269 303 W CB -0.470 29.036 29.460 0.077 0.000 1.155 303 W HN 0.026 nan 8.180 nan 0.000 0.484 304 L N 0.764 121.644 121.223 -0.571 0.000 2.012 304 L HA -0.213 4.128 4.340 0.001 0.000 0.210 304 L C 2.471 179.078 176.870 -0.438 0.000 1.073 304 L CA 2.007 56.422 54.840 -0.709 0.000 0.748 304 L CB -1.043 40.650 42.059 -0.609 0.000 0.891 304 L HN 0.244 nan 8.230 nan 0.000 0.431 305 I N -3.010 117.208 120.570 -0.586 0.000 3.684 305 I HA 0.296 4.466 4.170 0.001 0.000 0.304 305 I C 1.216 176.707 176.117 -1.044 0.000 1.278 305 I CA 0.528 61.496 61.300 -0.553 0.000 1.272 305 I CB -0.403 37.168 38.000 -0.715 0.000 1.029 305 I HN 0.221 nan 8.210 nan 0.000 0.458 306 G N 1.492 109.675 108.800 -1.029 0.000 2.176 306 G HA2 -0.200 3.760 3.960 0.001 0.000 0.252 306 G HA3 -0.200 3.760 3.960 0.001 0.000 0.252 306 G C 0.281 174.751 174.900 -0.717 0.000 1.024 306 G CA 0.015 44.386 45.100 -1.215 0.000 0.755 306 G HN 0.987 nan 8.290 nan 0.000 0.507 307 A N 0.343 122.846 122.820 -0.528 0.000 2.302 307 A HA 0.743 5.063 4.320 0.001 0.000 0.295 307 A C 1.270 178.715 177.584 -0.232 0.000 1.235 307 A CA 0.906 52.736 52.037 -0.345 0.000 0.876 307 A CB 0.432 19.232 19.000 -0.332 0.000 1.133 307 A HN 1.441 nan 8.150 nan 0.000 0.533 308 T N -1.497 112.959 114.554 -0.163 0.000 3.129 308 T HA 0.182 4.533 4.350 0.001 0.000 0.267 308 T C 0.156 174.809 174.700 -0.078 0.000 1.018 308 T CA 0.491 62.525 62.100 -0.110 0.000 0.903 308 T CB 0.050 68.875 68.868 -0.072 0.000 1.067 308 T HN 0.449 nan 8.240 nan 0.000 0.549 309 D N 1.161 121.527 120.400 -0.057 0.000 2.462 309 D HA 0.266 4.907 4.640 0.001 0.000 0.221 309 D C 1.361 177.658 176.300 -0.005 0.000 1.173 309 D CA -0.283 53.735 54.000 0.030 0.000 0.831 309 D CB -0.186 40.661 40.800 0.077 0.000 1.001 309 D HN 0.468 nan 8.370 nan 0.000 0.499 310 G N 0.870 109.632 108.800 -0.063 0.000 3.401 310 G HA2 0.006 3.966 3.960 0.001 0.000 0.251 310 G HA3 0.006 3.966 3.960 0.001 0.000 0.251 310 G C 0.274 175.289 174.900 0.191 0.000 0.960 310 G CA -0.329 44.851 45.100 0.133 0.000 1.900 310 G HN 0.336 nan 8.290 nan 0.000 0.645 311 H N 0.321 119.528 119.070 0.228 0.000 2.745 311 H HA 0.130 4.686 4.556 0.001 0.000 0.373 311 H C 1.640 177.183 175.328 0.358 0.000 1.226 311 H CA 0.265 56.462 56.048 0.247 0.000 1.435 311 H CB 1.000 30.846 29.762 0.140 0.000 1.461 311 H HN 0.261 nan 8.280 nan 0.000 0.616 312 A N 2.248 125.342 122.820 0.457 0.000 1.917 312 A HA -0.258 4.063 4.320 0.001 0.000 0.219 312 A C 2.248 180.038 177.584 0.342 0.000 1.182 312 A CA 2.108 54.392 52.037 0.412 0.000 0.633 312 A CB -0.471 18.706 19.000 0.294 0.000 0.819 312 A HN 0.652 nan 8.150 nan 0.000 0.448 313 K N 0.283 120.831 120.400 0.247 0.000 2.362 313 K HA -0.125 4.195 4.320 0.001 0.000 0.202 313 K C 0.851 177.536 176.600 0.142 0.000 1.045 313 K CA 1.692 58.070 56.287 0.152 0.000 0.936 313 K CB -0.233 32.327 32.500 0.099 0.000 0.747 313 K HN 0.519 nan 8.250 nan 0.000 0.467 314 N N -0.590 118.182 118.700 0.120 0.000 2.203 314 N HA 0.096 4.836 4.740 0.001 0.000 0.207 314 N C -0.908 174.276 175.510 -0.544 0.000 1.130 314 N CA 0.139 53.078 53.050 -0.186 0.000 0.861 314 N CB 0.448 38.768 38.487 -0.279 0.000 1.005 314 N HN 0.016 nan 8.380 nan 0.000 0.507 315 F N -0.087 119.926 119.950 0.104 0.000 2.538 315 F HA 0.525 5.052 4.527 0.001 0.000 0.325 315 F C 0.573 176.440 175.800 0.113 0.000 1.066 315 F CA -0.662 57.406 58.000 0.115 0.000 0.946 315 F CB 1.891 41.016 39.000 0.208 0.000 1.199 315 F HN -0.377 nan 8.300 nan 0.000 0.473 316 S N 0.427 116.275 115.700 0.246 0.000 2.579 316 S HA 0.762 5.233 4.470 0.001 0.000 0.272 316 S C -1.309 173.275 174.600 -0.026 0.000 1.141 316 S CA -0.841 57.417 58.200 0.097 0.000 0.843 316 S CB 2.211 65.477 63.200 0.111 0.000 1.122 316 S HN 0.543 nan 8.310 nan 0.000 0.468 317 V N -0.115 119.769 119.914 -0.049 0.000 2.680 317 V HA 0.746 4.867 4.120 0.001 0.000 0.309 317 V C -1.057 174.994 176.094 -0.073 0.000 1.052 317 V CA -0.963 61.313 62.300 -0.039 0.000 0.908 317 V CB 0.859 32.779 31.823 0.162 0.000 1.001 317 V HN 0.680 nan 8.190 nan 0.000 0.431 318 F N 3.391 123.398 119.950 0.094 0.000 2.543 318 F HA 0.464 4.991 4.527 0.001 0.000 0.375 318 F C 0.578 176.460 175.800 0.137 0.000 1.075 318 F CA -0.422 57.638 58.000 0.099 0.000 1.225 318 F CB 0.135 39.173 39.000 0.064 0.000 1.099 318 F HN 0.342 nan 8.300 nan 0.000 0.561 319 I N 4.166 124.929 120.570 0.322 0.000 2.342 319 I HA 0.216 4.387 4.170 0.001 0.000 0.291 319 I C -0.015 176.237 176.117 0.225 0.000 1.010 319 I CA -0.278 61.176 61.300 0.257 0.000 1.308 319 I CB 0.607 38.727 38.000 0.201 0.000 1.400 319 I HN 0.569 nan 8.210 nan 0.000 0.488 320 Q N 4.039 123.950 119.800 0.184 0.000 2.240 320 Q HA 0.699 5.039 4.340 0.001 0.000 0.260 320 Q C -0.119 175.939 176.000 0.098 0.000 1.018 320 Q CA -1.203 54.673 55.803 0.122 0.000 0.898 320 Q CB 1.540 30.321 28.738 0.072 0.000 1.301 320 Q HN 0.771 nan 8.270 nan 0.000 0.469 321 A N 0.377 123.234 122.820 0.062 0.000 2.608 321 A HA 0.253 4.574 4.320 0.001 0.000 0.239 321 A C 1.223 178.801 177.584 -0.010 0.000 1.018 321 A CA 1.221 53.262 52.037 0.007 0.000 0.766 321 A CB -1.110 17.857 19.000 -0.054 0.000 0.928 321 A HN 1.066 nan 8.150 nan 0.000 0.512 322 G N 1.242 110.022 108.800 -0.034 0.000 2.205 322 G HA2 0.124 4.084 3.960 0.001 0.000 0.261 322 G HA3 0.124 4.084 3.960 0.001 0.000 0.261 322 G C 1.753 176.664 174.900 0.018 0.000 0.980 322 G CA 1.010 46.092 45.100 -0.030 0.000 0.632 322 G HN 2.939 nan 8.290 nan 0.000 0.533 323 G N -1.107 107.734 108.800 0.068 0.000 2.147 323 G HA2 0.117 4.078 3.960 0.001 0.000 0.244 323 G HA3 0.117 4.078 3.960 0.001 0.000 0.244 323 G C 0.619 175.626 174.900 0.178 0.000 1.005 323 G CA 1.430 46.604 45.100 0.124 0.000 0.713 323 G HN 2.397 nan 8.290 nan 0.000 0.515 324 S N -0.410 115.356 115.700 0.110 0.000 2.652 324 S HA 0.873 5.344 4.470 0.001 0.000 0.270 324 S C -0.212 174.467 174.600 0.131 0.000 1.243 324 S CA 0.029 58.253 58.200 0.040 0.000 0.999 324 S CB 1.684 64.841 63.200 -0.073 0.000 0.973 324 S HN 1.632 nan 8.310 nan 0.000 0.544 325 Y N -1.703 118.599 120.300 0.003 0.000 2.597 325 Y HA 0.820 5.370 4.550 0.001 0.000 0.340 325 Y C -0.622 175.278 175.900 0.001 0.000 1.097 325 Y CA -1.382 56.738 58.100 0.033 0.000 1.037 325 Y CB 1.313 39.802 38.460 0.048 0.000 1.305 325 Y HN 0.815 nan 8.280 nan 0.000 0.463 326 R N 1.677 122.309 120.500 0.220 0.000 2.698 326 R HA 0.557 4.897 4.340 0.001 0.000 0.275 326 R C -1.455 174.919 176.300 0.124 0.000 1.001 326 R CA -1.020 55.159 56.100 0.131 0.000 0.896 326 R CB 2.174 32.588 30.300 0.190 0.000 1.218 326 R HN 0.876 nan 8.270 nan 0.000 0.462 327 L N 2.539 123.777 121.223 0.026 0.000 2.485 327 L HA 0.065 4.406 4.340 0.001 0.000 0.275 327 L C 1.070 177.769 176.870 -0.284 0.000 1.207 327 L CA 0.404 55.178 54.840 -0.110 0.000 0.855 327 L CB 0.739 42.710 42.059 -0.146 0.000 1.114 327 L HN 0.813 nan 8.230 nan 0.000 0.485 328 T N 1.115 115.328 114.554 -0.568 0.000 2.732 328 T HA 0.327 4.677 4.350 0.001 0.000 0.287 328 T C -2.329 171.904 174.700 -0.779 0.000 0.993 328 T CA -1.561 59.959 62.100 -0.966 0.000 0.966 328 T CB 0.521 68.590 68.868 -1.332 0.000 1.047 328 T HN 0.306 nan 8.240 nan 0.000 0.527 329 P HA 0.179 nan 4.420 nan 0.000 0.267 329 P C -0.625 176.374 177.300 -0.501 0.000 1.201 329 P CA -0.138 62.579 63.100 -0.638 0.000 0.775 329 P CB 0.053 31.458 31.700 -0.492 0.000 0.854 330 F N 1.394 121.247 119.950 -0.163 0.000 2.371 330 F HA 0.468 4.996 4.527 0.001 0.000 0.329 330 F C 0.745 176.560 175.800 0.025 0.000 1.107 330 F CA 0.480 58.321 58.000 -0.266 0.000 1.137 330 F CB 0.322 38.897 39.000 -0.709 0.000 1.214 330 F HN 0.362 nan 8.300 nan 0.000 0.536 331 Y N -2.319 118.065 120.300 0.141 0.000 2.725 331 Y HA 0.470 5.020 4.550 0.001 0.000 0.333 331 Y C -1.037 174.942 175.900 0.132 0.000 1.242 331 Y CA -2.376 55.834 58.100 0.183 0.000 1.059 331 Y CB 0.646 39.269 38.460 0.271 0.000 1.306 331 Y HN 0.487 nan 8.280 nan 0.000 0.454 332 D N 0.870 121.418 120.400 0.247 0.000 2.746 332 D HA -0.162 4.479 4.640 0.001 0.000 0.241 332 D C -1.116 175.231 176.300 0.078 0.000 1.140 332 D CA 1.210 55.296 54.000 0.144 0.000 0.707 332 D CB -0.859 40.013 40.800 0.121 0.000 1.034 332 D HN 0.647 nan 8.370 nan 0.000 0.423 333 I N 0.990 121.642 120.570 0.136 0.000 2.378 333 I HA 0.497 4.667 4.170 0.001 0.000 0.291 333 I C 0.424 176.601 176.117 0.100 0.000 0.992 333 I CA -0.787 60.598 61.300 0.141 0.000 1.154 333 I CB 1.977 40.139 38.000 0.270 0.000 1.315 333 I HN 0.080 nan 8.210 nan 0.000 0.448 334 I N 4.759 125.346 120.570 0.028 0.000 2.619 334 I HA 0.348 4.519 4.170 0.001 0.000 0.292 334 I C -0.283 175.775 176.117 -0.098 0.000 1.100 334 I CA -0.220 61.082 61.300 0.003 0.000 1.043 334 I CB 2.132 40.144 38.000 0.020 0.000 1.239 334 I HN 0.544 nan 8.210 nan 0.000 0.420 335 S N 4.610 120.237 115.700 -0.122 0.000 2.565 335 S HA 0.466 4.936 4.470 0.001 0.000 0.276 335 S C 0.968 175.418 174.600 -0.251 0.000 1.326 335 S CA 0.196 58.221 58.200 -0.291 0.000 1.045 335 S CB 1.553 64.588 63.200 -0.274 0.000 0.918 335 S HN 0.753 nan 8.310 nan 0.000 0.505 336 A N 4.886 127.485 122.820 -0.369 0.000 2.238 336 A HA 0.210 4.530 4.320 0.001 0.000 0.208 336 A C 1.306 178.818 177.584 -0.120 0.000 1.177 336 A CA 0.216 52.121 52.037 -0.220 0.000 0.804 336 A CB -0.574 18.301 19.000 -0.207 0.000 0.823 336 A HN 0.802 nan 8.150 nan 0.000 0.482 337 F N 0.932 120.818 119.950 -0.107 0.000 2.091 337 F HA -0.073 4.454 4.527 0.001 0.000 0.299 337 F C -0.507 175.241 175.800 -0.087 0.000 1.103 337 F CA 1.346 59.278 58.000 -0.113 0.000 1.228 337 F CB -1.958 36.955 39.000 -0.146 0.000 0.984 337 F HN 0.194 nan 8.300 nan 0.000 0.477 338 P HA -0.071 nan 4.420 nan 0.000 0.236 338 P C 1.235 178.551 177.300 0.027 0.000 1.172 338 P CA 1.052 64.173 63.100 0.035 0.000 0.759 338 P CB -0.273 31.428 31.700 0.002 0.000 0.843 339 V N -5.518 114.418 119.914 0.037 0.000 3.528 339 V HA 0.222 4.343 4.120 0.001 0.000 0.294 339 V C 0.444 176.568 176.094 0.050 0.000 1.404 339 V CA -0.101 62.220 62.300 0.034 0.000 1.065 339 V CB -0.824 31.019 31.823 0.033 0.000 0.904 339 V HN -0.147 nan 8.190 nan 0.000 0.435 340 L N 3.364 124.624 121.223 0.062 0.000 2.410 340 L HA 0.681 5.021 4.340 0.001 0.000 0.273 340 L C 0.967 177.868 176.870 0.052 0.000 1.144 340 L CA 1.090 55.970 54.840 0.066 0.000 0.863 340 L CB -0.115 41.987 42.059 0.073 0.000 1.140 340 L HN 0.583 nan 8.230 nan 0.000 0.463 341 G N 1.733 110.578 108.800 0.074 0.000 2.662 341 G HA2 0.293 4.253 3.960 0.001 0.000 0.686 341 G HA3 0.293 4.253 3.960 0.001 0.000 0.686 341 G C 0.161 175.091 174.900 0.051 0.000 1.271 341 G CA -0.396 44.740 45.100 0.059 0.000 0.816 341 G HN 1.242 nan 8.290 nan 0.000 0.608 342 G N -0.447 108.378 108.800 0.043 0.000 2.565 342 G HA2 0.014 3.974 3.960 0.001 0.000 0.295 342 G HA3 0.014 3.974 3.960 0.001 0.000 0.295 342 G C 1.839 176.764 174.900 0.043 0.000 1.165 342 G CA 2.506 47.627 45.100 0.034 0.000 0.977 342 G HN 2.671 nan 8.290 nan 0.000 0.546 343 T N 0.215 114.788 114.554 0.031 0.000 3.072 343 T HA 0.409 4.760 4.350 0.001 0.000 0.266 343 T C 1.681 176.403 174.700 0.037 0.000 1.127 343 T CA 1.648 63.765 62.100 0.029 0.000 1.107 343 T CB -0.256 68.622 68.868 0.016 0.000 0.910 343 T HN 1.682 nan 8.240 nan 0.000 0.513 344 G N 1.698 110.526 108.800 0.047 0.000 2.882 344 G HA2 0.667 4.628 3.960 0.001 0.000 0.164 344 G HA3 0.667 4.628 3.960 0.001 0.000 0.164 344 G C -0.013 174.929 174.900 0.071 0.000 1.429 344 G CA -0.587 44.547 45.100 0.056 0.000 1.059 344 G HN 0.661 nan 8.290 nan 0.000 0.581 345 I N -3.600 117.016 120.570 0.077 0.000 3.436 345 I HA 0.630 4.801 4.170 0.001 0.000 0.300 345 I C -0.766 175.443 176.117 0.154 0.000 1.131 345 I CA -1.298 60.019 61.300 0.029 0.000 1.001 345 I CB 1.872 39.889 38.000 0.029 0.000 1.305 345 I HN 0.247 nan 8.210 nan 0.000 0.494 346 H N 0.579 119.619 119.070 -0.050 0.000 2.508 346 H HA 0.438 4.994 4.556 0.001 0.000 0.344 346 H C 0.516 175.790 175.328 -0.091 0.000 1.192 346 H CA -1.111 54.900 56.048 -0.061 0.000 1.290 346 H CB 2.254 31.979 29.762 -0.062 0.000 1.571 346 H HN 0.688 nan 8.280 nan 0.000 0.555 347 I N 0.693 121.304 120.570 0.068 0.000 2.830 347 I HA -0.199 3.972 4.170 0.001 0.000 0.263 347 I C 1.473 177.579 176.117 -0.018 0.000 1.230 347 I CA 0.908 62.217 61.300 0.015 0.000 1.480 347 I CB 0.019 38.022 38.000 0.005 0.000 1.095 347 I HN 0.537 nan 8.210 nan 0.000 0.455 348 S N -1.035 114.662 115.700 -0.004 0.000 2.527 348 S HA -0.045 4.425 4.470 0.001 0.000 0.222 348 S C 1.328 175.866 174.600 -0.104 0.000 0.985 348 S CA 0.407 58.590 58.200 -0.027 0.000 0.921 348 S CB -0.217 62.990 63.200 0.012 0.000 0.772 348 S HN 0.396 nan 8.310 nan 0.000 0.529 349 D N 1.597 121.873 120.400 -0.207 0.000 2.323 349 D HA 0.166 4.806 4.640 0.001 0.000 0.209 349 D C 0.358 176.390 176.300 -0.447 0.000 0.973 349 D CA 0.257 53.959 54.000 -0.496 0.000 0.874 349 D CB -0.120 40.132 40.800 -0.914 0.000 0.930 349 D HN 0.435 nan 8.370 nan 0.000 0.521 350 L N 1.913 122.985 121.223 -0.251 0.000 2.385 350 L HA 0.132 4.473 4.340 0.001 0.000 0.281 350 L C 0.265 177.067 176.870 -0.113 0.000 1.106 350 L CA 0.004 54.742 54.840 -0.169 0.000 0.856 350 L CB 0.265 42.252 42.059 -0.119 0.000 1.186 350 L HN -0.368 nan 8.230 nan 0.000 0.453 351 K N 5.078 125.423 120.400 -0.091 0.000 2.292 351 K HA 0.498 4.819 4.320 0.001 0.000 0.257 351 K C -0.391 176.173 176.600 -0.061 0.000 0.940 351 K CA -0.810 55.442 56.287 -0.059 0.000 0.811 351 K CB 2.350 34.833 32.500 -0.028 0.000 1.120 351 K HN 0.462 nan 8.250 nan 0.000 0.428 352 L N 2.150 123.336 121.223 -0.061 0.000 2.525 352 L HA -0.058 4.282 4.340 0.001 0.000 0.278 352 L C 1.610 178.426 176.870 -0.091 0.000 1.218 352 L CA 0.004 54.800 54.840 -0.073 0.000 0.878 352 L CB 0.574 42.593 42.059 -0.065 0.000 1.127 352 L HN 0.822 nan 8.230 nan 0.000 0.492 353 A N 5.027 127.754 122.820 -0.156 0.000 1.969 353 A HA -0.021 4.299 4.320 0.001 0.000 0.218 353 A C 0.988 178.499 177.584 -0.123 0.000 1.169 353 A CA 1.146 53.017 52.037 -0.276 0.000 0.635 353 A CB -0.122 18.405 19.000 -0.789 0.000 0.810 353 A HN 0.708 nan 8.150 nan 0.000 0.445 354 M N 0.241 119.804 119.600 -0.061 0.000 2.078 354 M HA 0.449 4.929 4.480 0.001 0.000 0.320 354 M C 0.348 176.625 176.300 -0.038 0.000 0.969 354 M CA -0.334 54.962 55.300 -0.007 0.000 0.929 354 M CB 1.810 34.436 32.600 0.044 0.000 1.504 354 M HN 0.220 nan 8.290 nan 0.000 0.419 355 G N 3.208 111.982 108.800 -0.044 0.000 2.562 355 G HA2 0.689 4.649 3.960 0.001 0.000 0.275 355 G HA3 0.689 4.649 3.960 0.001 0.000 0.275 355 G C -0.390 174.448 174.900 -0.104 0.000 1.196 355 G CA -0.705 44.343 45.100 -0.086 0.000 0.908 355 G HN 0.625 nan 8.290 nan 0.000 0.524 356 L N 0.071 121.191 121.223 -0.173 0.000 2.365 356 L HA 0.588 4.928 4.340 0.001 0.000 0.267 356 L C 0.260 177.064 176.870 -0.111 0.000 1.033 356 L CA -0.781 53.944 54.840 -0.192 0.000 0.802 356 L CB 1.310 43.134 42.059 -0.390 0.000 1.267 356 L HN 0.675 nan 8.230 nan 0.000 0.457 363 K N 1.926 122.269 120.400 -0.096 0.000 2.262 363 K HA 0.175 4.495 4.320 0.001 0.000 0.282 363 K C 0.437 176.927 176.600 -0.184 0.000 1.066 363 K CA 0.390 56.580 56.287 -0.162 0.000 0.901 363 K CB 1.374 33.707 32.500 -0.278 0.000 1.089 363 K HN 0.302 nan 8.250 nan 0.000 0.476 364 T N 0.179 114.651 114.554 -0.137 0.000 2.969 364 T HA 0.279 4.629 4.350 0.001 0.000 0.250 364 T C 0.654 175.298 174.700 -0.094 0.000 1.021 364 T CA -0.125 61.910 62.100 -0.108 0.000 1.003 364 T CB 0.306 69.137 68.868 -0.061 0.000 1.040 364 T HN 0.373 nan 8.240 nan 0.000 0.492 365 A N 1.546 124.310 122.820 -0.094 0.000 2.395 365 A HA 0.581 4.902 4.320 0.001 0.000 0.286 365 A C 1.249 178.811 177.584 -0.035 0.000 1.193 365 A CA -0.479 51.521 52.037 -0.061 0.000 0.852 365 A CB -0.588 18.383 19.000 -0.049 0.000 1.118 365 A HN 0.495 nan 8.150 nan 0.000 0.524 366 I N 1.374 121.958 120.570 0.023 0.000 2.286 366 I HA -0.212 3.958 4.170 0.001 0.000 0.248 366 I C 1.907 178.138 176.117 0.190 0.000 1.115 366 I CA 1.880 63.279 61.300 0.167 0.000 1.392 366 I CB 0.064 38.102 38.000 0.064 0.000 1.065 366 I HN 0.836 nan 8.210 nan 0.000 0.418 367 D N 0.439 120.874 120.400 0.059 0.000 2.323 367 D HA -0.099 4.542 4.640 0.001 0.000 0.209 367 D C 1.680 177.999 176.300 0.031 0.000 0.973 367 D CA 0.827 54.843 54.000 0.028 0.000 0.874 367 D CB 0.157 40.960 40.800 0.006 0.000 0.930 367 D HN 0.146 nan 8.370 nan 0.000 0.521 368 K N -0.384 120.034 120.400 0.029 0.000 2.505 368 K HA 0.199 4.520 4.320 0.001 0.000 0.192 368 K C -0.011 176.598 176.600 0.015 0.000 1.025 368 K CA 0.126 56.455 56.287 0.070 0.000 1.086 368 K CB 0.785 33.300 32.500 0.026 0.000 0.840 368 K HN 0.221 nan 8.250 nan 0.000 0.514 369 I N 0.837 121.330 120.570 -0.128 0.000 2.404 369 I HA 0.250 4.421 4.170 0.001 0.000 0.293 369 I C -0.766 175.193 176.117 -0.263 0.000 0.992 369 I CA -0.927 60.159 61.300 -0.356 0.000 1.149 369 I CB 1.009 38.672 38.000 -0.562 0.000 1.315 369 I HN -0.080 nan 8.210 nan 0.000 0.446 370 Y N 5.958 126.366 120.300 0.179 0.000 2.630 370 Y HA 0.354 4.905 4.550 0.001 0.000 0.337 370 Y C -1.748 174.175 175.900 0.040 0.000 1.051 370 Y CA -1.656 56.528 58.100 0.139 0.000 1.121 370 Y CB 0.916 39.481 38.460 0.175 0.000 1.299 370 Y HN 0.381 nan 8.280 nan 0.000 0.498 371 P HA -0.270 nan 4.420 nan 0.000 0.218 371 P C 1.349 178.774 177.300 0.208 0.000 1.150 371 P CA 2.191 65.440 63.100 0.249 0.000 0.841 371 P CB 0.114 32.020 31.700 0.345 0.000 0.784 372 R N -0.806 119.758 120.500 0.108 0.000 2.120 372 R HA -0.192 4.148 4.340 0.001 0.000 0.234 372 R C 1.622 177.841 176.300 -0.135 0.000 1.123 372 R CA 1.750 57.824 56.100 -0.043 0.000 0.975 372 R CB -1.135 29.068 30.300 -0.162 0.000 0.866 372 R HN 0.279 nan 8.270 nan 0.000 0.446 373 H N -0.463 118.562 119.070 -0.076 0.000 2.372 373 H HA 0.033 4.590 4.556 0.001 0.000 0.301 373 H C 1.552 176.708 175.328 -0.286 0.000 1.065 373 H CA 1.908 57.824 56.048 -0.221 0.000 1.364 373 H CB -0.183 29.350 29.762 -0.381 0.000 1.406 373 H HN 0.112 nan 8.280 nan 0.000 0.521 374 F N 0.765 120.690 119.950 -0.042 0.000 2.065 374 F HA -0.217 4.311 4.527 0.001 0.000 0.298 374 F C 2.126 177.907 175.800 -0.032 0.000 1.112 374 F CA 1.204 59.159 58.000 -0.075 0.000 1.212 374 F CB -0.810 38.111 39.000 -0.132 0.000 0.975 374 F HN 0.045 nan 8.300 nan 0.000 0.476 375 L N -0.345 120.965 121.223 0.145 0.000 2.042 375 L HA -0.211 4.129 4.340 0.001 0.000 0.210 375 L C 2.723 179.616 176.870 0.038 0.000 1.076 375 L CA 1.268 56.141 54.840 0.056 0.000 0.749 375 L CB -1.393 40.671 42.059 0.008 0.000 0.893 375 L HN 0.142 nan 8.230 nan 0.000 0.432 376 A N -0.186 122.639 122.820 0.008 0.000 1.940 376 A HA -0.218 4.103 4.320 0.001 0.000 0.219 376 A C 2.407 180.004 177.584 0.022 0.000 1.176 376 A CA 2.497 54.534 52.037 0.000 0.000 0.631 376 A CB -0.988 17.994 19.000 -0.029 0.000 0.814 376 A HN 0.445 nan 8.150 nan 0.000 0.446 377 T N 0.141 114.710 114.554 0.025 0.000 2.701 377 T HA 0.045 4.395 4.350 0.001 0.000 0.263 377 T C 2.293 177.049 174.700 0.092 0.000 1.040 377 T CA 1.509 63.631 62.100 0.037 0.000 1.147 377 T CB -0.542 68.329 68.868 0.005 0.000 0.865 377 T HN 0.615 nan 8.240 nan 0.000 0.426 378 A N 1.673 124.580 122.820 0.146 0.000 1.917 378 A HA -0.217 4.104 4.320 0.001 0.000 0.219 378 A C 2.200 179.891 177.584 0.178 0.000 1.182 378 A CA 2.312 54.497 52.037 0.246 0.000 0.633 378 A CB -0.605 18.592 19.000 0.327 0.000 0.819 378 A HN 0.493 nan 8.150 nan 0.000 0.448 379 K N -0.594 119.869 120.400 0.105 0.000 2.002 379 K HA -0.067 4.253 4.320 0.001 0.000 0.209 379 K C 1.675 178.317 176.600 0.070 0.000 1.048 379 K CA 1.587 57.917 56.287 0.072 0.000 0.930 379 K CB -0.373 32.154 32.500 0.045 0.000 0.714 379 K HN 0.153 nan 8.250 nan 0.000 0.438 380 V N 1.281 121.231 119.914 0.061 0.000 2.688 380 V HA -0.194 3.927 4.120 0.001 0.000 0.256 380 V C 1.875 178.009 176.094 0.068 0.000 1.084 380 V CA 1.460 63.792 62.300 0.052 0.000 1.103 380 V CB -0.308 31.538 31.823 0.038 0.000 0.688 380 V HN 0.347 nan 8.190 nan 0.000 0.480 381 L N -1.107 120.175 121.223 0.099 0.000 2.607 381 L HA 0.248 4.589 4.340 0.001 0.000 0.228 381 L C 1.129 178.085 176.870 0.143 0.000 1.123 381 L CA 0.023 54.934 54.840 0.118 0.000 0.890 381 L CB -0.074 42.071 42.059 0.142 0.000 1.103 381 L HN 0.243 nan 8.230 nan 0.000 0.468 382 R N -0.308 120.271 120.500 0.131 0.000 3.516 382 R HA -0.235 4.105 4.340 0.001 0.000 0.271 382 R C -0.237 176.169 176.300 0.176 0.000 1.098 382 R CA 0.328 56.497 56.100 0.115 0.000 0.732 382 R CB -2.165 28.184 30.300 0.081 0.000 1.152 382 R HN 0.132 nan 8.270 nan 0.000 0.455 383 F N 2.135 122.119 119.950 0.057 0.000 2.424 383 F HA 0.317 4.845 4.527 0.001 0.000 0.356 383 F C -1.685 174.151 175.800 0.059 0.000 1.110 383 F CA -2.785 55.256 58.000 0.068 0.000 1.161 383 F CB 0.722 39.770 39.000 0.079 0.000 1.115 383 F HN -0.148 nan 8.300 nan 0.000 0.507 384 P HA -0.100 nan 4.420 nan 0.000 0.255 384 P C 0.749 177.863 177.300 -0.311 0.000 1.173 384 P CA 0.612 63.499 63.100 -0.354 0.000 0.780 384 P CB 0.333 31.811 31.700 -0.369 0.000 0.758 385 E N 2.697 122.829 120.200 -0.114 0.000 2.236 385 E HA -0.238 4.112 4.350 0.001 0.000 0.205 385 E C 1.134 177.711 176.600 -0.038 0.000 1.028 385 E CA 1.434 57.796 56.400 -0.063 0.000 0.827 385 E CB 0.059 29.768 29.700 0.016 0.000 0.735 385 E HN 0.178 nan 8.360 nan 0.000 0.470 386 V N 0.243 120.151 119.914 -0.009 0.000 2.871 386 V HA -0.153 3.968 4.120 0.001 0.000 0.256 386 V C 2.172 178.297 176.094 0.051 0.000 1.082 386 V CA 1.409 63.758 62.300 0.082 0.000 1.105 386 V CB -0.145 31.703 31.823 0.041 0.000 0.713 386 V HN 0.259 nan 8.190 nan 0.000 0.473 387 Q N -1.377 118.370 119.800 -0.088 0.000 2.204 387 Q HA -0.089 4.251 4.340 0.001 0.000 0.198 387 Q C 2.193 178.270 176.000 0.129 0.000 0.946 387 Q CA 1.072 56.871 55.803 -0.006 0.000 0.859 387 Q CB -0.071 28.500 28.738 -0.278 0.000 0.946 387 Q HN 0.470 nan 8.270 nan 0.000 0.474 388 M N 0.019 119.665 119.600 0.076 0.000 2.080 388 M HA -0.206 4.274 4.480 0.001 0.000 0.260 388 M C 1.656 177.948 176.300 -0.013 0.000 1.068 388 M CA 1.795 57.167 55.300 0.120 0.000 1.109 388 M CB -0.455 32.209 32.600 0.107 0.000 1.342 388 M HN 0.234 nan 8.290 nan 0.000 0.405 389 H N -0.499 118.625 119.070 0.089 0.000 2.352 389 H HA -0.152 4.405 4.556 0.001 0.000 0.299 389 H C 2.051 177.362 175.328 -0.028 0.000 1.097 389 H CA 1.906 58.000 56.048 0.078 0.000 1.311 389 H CB -0.483 29.402 29.762 0.204 0.000 1.377 389 H HN 0.591 nan 8.280 nan 0.000 0.504 390 E N 0.421 120.717 120.200 0.160 0.000 2.204 390 E HA -0.115 4.235 4.350 0.001 0.000 0.195 390 E C 2.151 178.770 176.600 0.032 0.000 0.990 390 E CA 0.497 56.966 56.400 0.116 0.000 0.821 390 E CB 0.044 29.850 29.700 0.177 0.000 0.750 390 E HN 0.404 nan 8.360 nan 0.000 0.477 391 I N 0.287 120.846 120.570 -0.017 0.000 2.339 391 I HA -0.219 3.951 4.170 0.001 0.000 0.245 391 I C 2.303 178.315 176.117 -0.175 0.000 1.096 391 I CA 0.402 61.611 61.300 -0.152 0.000 1.408 391 I CB -0.024 37.843 38.000 -0.223 0.000 1.092 391 I HN 0.138 nan 8.210 nan 0.000 0.423 392 L N -0.130 120.979 121.223 -0.191 0.000 2.042 392 L HA -0.256 4.084 4.340 0.001 0.000 0.210 392 L C 2.625 179.241 176.870 -0.424 0.000 1.076 392 L CA 1.361 56.016 54.840 -0.307 0.000 0.749 392 L CB -0.587 41.117 42.059 -0.591 0.000 0.893 392 L HN 0.192 nan 8.230 nan 0.000 0.432 393 S N -0.516 114.882 115.700 -0.503 0.000 2.382 393 S HA -0.163 4.307 4.470 0.001 0.000 0.228 393 S C 1.413 175.990 174.600 -0.039 0.000 1.027 393 S CA 1.339 59.410 58.200 -0.214 0.000 0.991 393 S CB -0.219 62.971 63.200 -0.017 0.000 0.823 393 S HN 0.453 nan 8.310 nan 0.000 0.469 394 D N 0.210 120.562 120.400 -0.081 0.000 2.277 394 D HA 0.074 4.714 4.640 0.001 0.000 0.208 394 D C 1.313 177.600 176.300 -0.023 0.000 0.962 394 D CA 0.509 54.464 54.000 -0.075 0.000 0.865 394 D CB -0.178 40.523 40.800 -0.165 0.000 0.939 394 D HN 0.283 nan 8.370 nan 0.000 0.510 395 F N 1.657 121.625 119.950 0.030 0.000 2.118 395 F HA 0.080 4.607 4.527 0.001 0.000 0.293 395 F C 2.447 178.370 175.800 0.204 0.000 1.102 395 F CA 0.387 58.443 58.000 0.093 0.000 1.247 395 F CB -1.068 37.972 39.000 0.067 0.000 1.017 395 F HN -0.101 nan 8.300 nan 0.000 0.475 396 A N 0.762 123.780 122.820 0.329 0.000 1.883 396 A HA -0.347 3.973 4.320 0.001 0.000 0.222 396 A C 2.386 180.192 177.584 0.370 0.000 1.339 396 A CA 2.824 55.012 52.037 0.253 0.000 0.692 396 A CB -1.140 17.954 19.000 0.156 0.000 0.845 396 A HN 0.386 nan 8.150 nan 0.000 0.467 397 R N -1.485 119.149 120.500 0.224 0.000 2.091 397 R HA -0.085 4.256 4.340 0.001 0.000 0.238 397 R C 2.240 178.631 176.300 0.151 0.000 1.136 397 R CA 1.922 58.122 56.100 0.168 0.000 0.959 397 R CB -0.310 30.051 30.300 0.103 0.000 0.856 397 R HN 0.645 nan 8.270 nan 0.000 0.437 398 M N -0.542 119.154 119.600 0.159 0.000 2.516 398 M HA 0.045 4.526 4.480 0.001 0.000 0.259 398 M C 1.843 178.199 176.300 0.094 0.000 1.146 398 M CA 0.210 55.575 55.300 0.108 0.000 1.122 398 M CB 0.243 32.893 32.600 0.084 0.000 1.341 398 M HN 0.028 nan 8.290 nan 0.000 0.478 399 I N 1.549 122.185 120.570 0.110 0.000 2.118 399 I HA -0.212 3.959 4.170 0.001 0.000 0.241 399 I C -0.460 175.577 176.117 -0.135 0.000 1.070 399 I CA 2.213 63.488 61.300 -0.041 0.000 1.327 399 I CB -2.406 35.460 38.000 -0.224 0.000 1.034 399 I HN 0.101 nan 8.210 nan 0.000 0.405 400 P HA -0.150 nan 4.420 nan 0.000 0.215 400 P C 1.597 178.869 177.300 -0.047 0.000 1.157 400 P CA 2.240 65.266 63.100 -0.122 0.000 0.874 400 P CB -0.086 31.561 31.700 -0.088 0.000 0.790 401 A N -0.333 122.476 122.820 -0.019 0.000 1.929 401 A HA 0.031 4.352 4.320 0.001 0.000 0.216 401 A C 2.342 179.918 177.584 -0.013 0.000 1.176 401 A CA 1.727 53.760 52.037 -0.007 0.000 0.628 401 A CB -1.509 17.494 19.000 0.005 0.000 0.816 401 A HN 0.183 nan 8.150 nan 0.000 0.444 402 A N 0.139 122.956 122.820 -0.006 0.000 1.873 402 A HA -0.145 4.175 4.320 0.001 0.000 0.218 402 A C 2.164 179.722 177.584 -0.043 0.000 1.193 402 A CA 1.675 53.705 52.037 -0.013 0.000 0.629 402 A CB -0.733 18.285 19.000 0.030 0.000 0.826 402 A HN 0.473 nan 8.150 nan 0.000 0.447 403 L N -0.781 120.425 121.223 -0.030 0.000 2.083 403 L HA -0.202 4.138 4.340 0.001 0.000 0.209 403 L C 2.428 179.289 176.870 -0.014 0.000 1.083 403 L CA 1.750 56.582 54.840 -0.014 0.000 0.752 403 L CB -0.478 41.586 42.059 0.008 0.000 0.899 403 L HN 0.465 nan 8.230 nan 0.000 0.433 404 D N -0.300 120.089 120.400 -0.018 0.000 2.149 404 D HA -0.156 4.485 4.640 0.001 0.000 0.201 404 D C 1.906 178.191 176.300 -0.026 0.000 0.972 404 D CA 0.998 54.990 54.000 -0.013 0.000 0.835 404 D CB 0.055 40.850 40.800 -0.009 0.000 0.966 404 D HN 0.135 nan 8.370 nan 0.000 0.476 405 N N -0.103 118.574 118.700 -0.038 0.000 2.142 405 N HA -0.104 4.637 4.740 0.001 0.000 0.186 405 N C 2.016 177.477 175.510 -0.082 0.000 1.023 405 N CA 0.690 53.712 53.050 -0.046 0.000 0.852 405 N CB -0.413 38.050 38.487 -0.040 0.000 0.998 405 N HN 0.133 nan 8.380 nan 0.000 0.424 406 V N 1.720 121.554 119.914 -0.133 0.000 2.287 406 V HA -0.227 3.894 4.120 0.001 0.000 0.248 406 V C 2.474 178.462 176.094 -0.178 0.000 1.053 406 V CA 1.521 63.681 62.300 -0.234 0.000 1.027 406 V CB -0.442 31.112 31.823 -0.448 0.000 0.646 406 V HN 0.334 nan 8.190 nan 0.000 0.447 407 K N -0.284 120.062 120.400 -0.089 0.000 2.032 407 K HA -0.209 4.112 4.320 0.001 0.000 0.209 407 K C 2.242 178.825 176.600 -0.028 0.000 1.048 407 K CA 2.023 58.296 56.287 -0.024 0.000 0.927 407 K CB -0.399 32.122 32.500 0.035 0.000 0.712 407 K HN 0.493 nan 8.250 nan 0.000 0.441 408 T N 0.381 114.921 114.554 -0.023 0.000 2.721 408 T HA -0.153 4.197 4.350 0.001 0.000 0.268 408 T C 1.640 176.334 174.700 -0.011 0.000 1.038 408 T CA 1.909 64.002 62.100 -0.011 0.000 1.145 408 T CB -0.215 68.648 68.868 -0.009 0.000 0.858 408 T HN 0.433 nan 8.240 nan 0.000 0.459 409 S N 0.130 115.811 115.700 -0.032 0.000 2.597 409 S HA 0.313 4.784 4.470 0.001 0.000 0.224 409 S C 0.439 175.042 174.600 0.004 0.000 0.955 409 S CA -0.534 57.659 58.200 -0.013 0.000 0.933 409 S CB -0.478 62.705 63.200 -0.028 0.000 0.788 409 S HN 0.340 nan 8.310 nan 0.000 0.488 410 L N 2.541 123.744 121.223 -0.034 0.000 2.436 410 L HA 0.414 4.755 4.340 0.001 0.000 0.265 410 L C -1.746 175.170 176.870 0.075 0.000 1.168 410 L CA -2.127 52.695 54.840 -0.029 0.000 0.815 410 L CB -0.037 41.865 42.059 -0.261 0.000 1.109 410 L HN 0.130 nan 8.230 nan 0.000 0.462 411 P HA 0.024 nan 4.420 nan 0.000 0.271 411 P C 0.326 177.721 177.300 0.158 0.000 1.244 411 P CA -0.267 62.922 63.100 0.148 0.000 0.793 411 P CB 0.596 32.396 31.700 0.167 0.000 0.984 412 T N -0.605 114.021 114.554 0.119 0.000 2.985 412 T HA -0.096 4.254 4.350 0.001 0.000 0.266 412 T C 1.281 176.055 174.700 0.124 0.000 1.076 412 T CA 1.232 63.396 62.100 0.107 0.000 1.135 412 T CB -0.648 68.263 68.868 0.072 0.000 0.890 412 T HN 0.455 nan 8.240 nan 0.000 0.480 413 D N 0.119 120.592 120.400 0.122 0.000 2.265 413 D HA -0.033 4.608 4.640 0.001 0.000 0.208 413 D C 0.268 176.641 176.300 0.123 0.000 0.977 413 D CA 0.346 54.406 54.000 0.100 0.000 0.871 413 D CB -0.261 40.586 40.800 0.078 0.000 0.925 413 D HN 0.309 nan 8.370 nan 0.000 0.485 414 F N 1.511 121.492 119.950 0.052 0.000 2.578 414 F HA 0.126 4.653 4.527 0.001 0.000 0.376 414 F C -1.642 174.189 175.800 0.052 0.000 1.085 414 F CA -1.905 56.136 58.000 0.069 0.000 1.260 414 F CB 0.407 39.478 39.000 0.117 0.000 1.095 414 F HN -0.065 nan 8.300 nan 0.000 0.573 415 P HA 0.049 nan 4.420 nan 0.000 0.276 415 P C -0.133 177.167 177.300 -0.000 0.000 1.264 415 P CA 0.115 63.113 63.100 -0.170 0.000 0.769 415 P CB 0.815 32.343 31.700 -0.287 0.000 0.840 416 E N 2.610 122.849 120.200 0.066 0.000 2.150 416 E HA -0.181 4.170 4.350 0.001 0.000 0.193 416 E C 1.753 178.380 176.600 0.046 0.000 0.985 416 E CA 0.934 57.392 56.400 0.096 0.000 0.814 416 E CB -0.029 29.711 29.700 0.067 0.000 0.752 416 E HN 0.567 nan 8.360 nan 0.000 0.466 417 N N 1.103 119.806 118.700 0.006 0.000 2.149 417 N HA -0.158 4.582 4.740 0.001 0.000 0.188 417 N C 1.900 177.396 175.510 -0.024 0.000 1.019 417 N CA 1.218 54.260 53.050 -0.014 0.000 0.857 417 N CB -0.663 37.809 38.487 -0.024 0.000 0.997 417 N HN 0.037 nan 8.380 nan 0.000 0.426 418 V N 1.426 121.325 119.914 -0.025 0.000 2.237 418 V HA -0.193 3.928 4.120 0.001 0.000 0.245 418 V C 2.810 178.857 176.094 -0.079 0.000 1.046 418 V CA 1.414 63.694 62.300 -0.035 0.000 1.007 418 V CB -0.567 31.226 31.823 -0.049 0.000 0.638 418 V HN 0.126 nan 8.190 nan 0.000 0.445 419 V N -0.018 119.905 119.914 0.015 0.000 2.282 419 V HA -0.326 3.794 4.120 0.001 0.000 0.249 419 V C 2.579 178.605 176.094 -0.113 0.000 1.057 419 V CA 2.771 65.000 62.300 -0.119 0.000 1.032 419 V CB -1.243 30.634 31.823 0.090 0.000 0.645 419 V HN 0.636 nan 8.190 nan 0.000 0.447 420 T N 0.263 114.792 114.554 -0.041 0.000 2.720 420 T HA -0.180 4.171 4.350 0.001 0.000 0.268 420 T C 2.013 176.663 174.700 -0.083 0.000 1.037 420 T CA 1.694 63.765 62.100 -0.048 0.000 1.144 420 T CB -0.430 68.423 68.868 -0.026 0.000 0.864 420 T HN 0.598 nan 8.240 nan 0.000 0.444 421 A N 0.768 123.539 122.820 -0.081 0.000 1.897 421 A HA 0.018 4.339 4.320 0.001 0.000 0.215 421 A C 2.572 180.097 177.584 -0.098 0.000 1.181 421 A CA 1.139 53.128 52.037 -0.080 0.000 0.620 421 A CB -0.786 18.198 19.000 -0.028 0.000 0.821 421 A HN 0.361 nan 8.150 nan 0.000 0.443 422 V N -0.057 119.796 119.914 -0.101 0.000 2.323 422 V HA -0.229 3.892 4.120 0.001 0.000 0.244 422 V C 2.501 178.545 176.094 -0.084 0.000 1.041 422 V CA 2.134 64.412 62.300 -0.037 0.000 1.025 422 V CB -0.761 30.936 31.823 -0.209 0.000 0.656 422 V HN 0.745 nan 8.190 nan 0.000 0.451 423 E N 0.953 121.090 120.200 -0.106 0.000 2.085 423 E HA -0.227 4.124 4.350 0.001 0.000 0.194 423 E C 2.279 178.809 176.600 -0.116 0.000 0.994 423 E CA 1.822 58.194 56.400 -0.045 0.000 0.801 423 E CB -0.074 29.626 29.700 0.001 0.000 0.743 423 E HN 0.746 nan 8.360 nan 0.000 0.453 424 S N 0.278 115.884 115.700 -0.157 0.000 2.406 424 S HA -0.029 4.442 4.470 0.001 0.000 0.228 424 S C 1.681 176.103 174.600 -0.298 0.000 1.020 424 S CA 0.712 58.804 58.200 -0.181 0.000 0.965 424 S CB -0.108 63.002 63.200 -0.151 0.000 0.798 424 S HN 0.229 nan 8.310 nan 0.000 0.488 425 N N 1.170 119.574 118.700 -0.493 0.000 2.368 425 N HA 0.130 4.871 4.740 0.001 0.000 0.176 425 N C 1.729 176.779 175.510 -0.766 0.000 1.021 425 N CA 0.769 53.292 53.050 -0.877 0.000 0.888 425 N CB -0.203 37.216 38.487 -1.780 0.000 0.995 425 N HN 0.258 nan 8.380 nan 0.000 0.437 426 V N 2.111 121.751 119.914 -0.457 0.000 2.287 426 V HA -0.217 3.904 4.120 0.001 0.000 0.248 426 V C 2.409 178.393 176.094 -0.184 0.000 1.053 426 V CA 1.393 63.560 62.300 -0.222 0.000 1.027 426 V CB -0.526 31.249 31.823 -0.080 0.000 0.646 426 V HN 0.224 nan 8.190 nan 0.000 0.447 427 L N -0.521 120.610 121.223 -0.153 0.000 2.093 427 L HA -0.163 4.177 4.340 0.001 0.000 0.208 427 L C 2.713 179.564 176.870 -0.032 0.000 1.085 427 L CA 1.722 56.520 54.840 -0.069 0.000 0.755 427 L CB -0.598 41.421 42.059 -0.068 0.000 0.904 427 L HN 0.278 nan 8.230 nan 0.000 0.435 428 R N 0.665 121.085 120.500 -0.134 0.000 2.073 428 R HA -0.171 4.170 4.340 0.001 0.000 0.234 428 R C 2.282 178.513 176.300 -0.114 0.000 1.134 428 R CA 1.543 57.569 56.100 -0.124 0.000 0.952 428 R CB -0.217 29.966 30.300 -0.194 0.000 0.850 428 R HN 0.305 nan 8.270 nan 0.000 0.433 429 L N -0.255 120.831 121.223 -0.228 0.000 2.109 429 L HA -0.165 4.175 4.340 0.001 0.000 0.207 429 L C 2.820 179.603 176.870 -0.146 0.000 1.086 429 L CA 1.195 55.843 54.840 -0.320 0.000 0.760 429 L CB -0.872 40.707 42.059 -0.801 0.000 0.910 429 L HN 0.445 nan 8.230 nan 0.000 0.437 430 H N 0.803 119.760 119.070 -0.190 0.000 2.390 430 H HA -0.172 4.384 4.556 0.001 0.000 0.298 430 H C 1.889 177.255 175.328 0.063 0.000 1.106 430 H CA 1.678 57.706 56.048 -0.033 0.000 1.297 430 H CB 0.068 29.802 29.762 -0.047 0.000 1.375 430 H HN 0.345 nan 8.280 nan 0.000 0.509 431 G N 0.325 109.145 108.800 0.034 0.000 2.625 431 G HA2 -0.179 3.781 3.960 0.001 0.000 0.214 431 G HA3 -0.179 3.781 3.960 0.001 0.000 0.214 431 G C 1.849 176.779 174.900 0.050 0.000 1.132 431 G CA 0.027 45.137 45.100 0.016 0.000 0.782 431 G HN 0.414 nan 8.290 nan 0.000 0.538 432 R N -0.621 119.946 120.500 0.112 0.000 2.240 432 R HA 0.229 4.570 4.340 0.001 0.000 0.203 432 R C 2.101 178.549 176.300 0.248 0.000 1.011 432 R CA 0.168 56.416 56.100 0.246 0.000 1.007 432 R CB -0.112 30.397 30.300 0.348 0.000 0.911 432 R HN 0.350 nan 8.270 nan 0.000 0.468 433 L N -0.375 120.938 121.223 0.150 0.000 2.162 433 L HA -0.013 4.327 4.340 0.001 0.000 0.205 433 L C 2.124 179.086 176.870 0.155 0.000 1.086 433 L CA 0.825 55.779 54.840 0.190 0.000 0.778 433 L CB -0.201 41.889 42.059 0.051 0.000 0.928 433 L HN 0.064 nan 8.230 nan 0.000 0.446 434 S N 0.114 115.797 115.700 -0.027 0.000 2.356 434 S HA -0.142 4.328 4.470 0.001 0.000 0.223 434 S C 1.863 176.494 174.600 0.051 0.000 1.032 434 S CA 1.048 59.254 58.200 0.010 0.000 1.005 434 S CB -0.318 62.866 63.200 -0.027 0.000 0.867 434 S HN 0.339 nan 8.310 nan 0.000 0.449 435 R N 0.951 121.488 120.500 0.062 0.000 2.417 435 R HA -0.056 4.284 4.340 0.001 0.000 0.220 435 R C 1.371 177.684 176.300 0.022 0.000 1.128 435 R CA 0.917 57.048 56.100 0.052 0.000 1.048 435 R CB -0.143 30.205 30.300 0.080 0.000 0.835 435 R HN 0.542 nan 8.270 nan 0.000 0.483 436 E N -2.160 118.056 120.200 0.027 0.000 2.583 436 E HA 0.096 4.447 4.350 0.001 0.000 0.204 436 E C -0.195 176.211 176.600 -0.323 0.000 0.860 436 E CA 0.272 56.596 56.400 -0.125 0.000 1.473 436 E CB 0.432 30.089 29.700 -0.071 0.000 1.469 436 E HN 0.101 nan 8.360 nan 0.000 0.788 437 Y N 0.000 120.324 120.300 0.040 0.000 2.660 437 Y HA 0.000 4.550 4.550 0.001 0.000 0.201 437 Y CA 0.000 58.125 58.100 0.041 0.000 1.940 437 Y CB 0.000 38.502 38.460 0.070 0.000 1.050 437 Y HN 0.000 nan 8.280 nan 0.000 0.758