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 3efm_1_A DATA FIRST_RESID 21 DATA SEQUENCE EISDLTEGTN AYTTEAMSTA TGLTLSPRET PQSVSVVTRQ QIEDQGLTDT DATA SEQUENCE GAILATAPGI SVTRSDSNRY SFSARGFTID NFQFDGLVSP ILSQWNYGST DATA SEQUENCE DMDAAIYDHV EIVRGATGLM TGSGNPSAAV NFVRKRPLRE FAATFNASVG DATA SEQUENCE SWDYVRGDAD ISVPITEDGR IRSRLVAAYS QGDXXXXXLD TRRRTFYGVV DATA SEQUENCE SADLTPDTVL TTSVEYQHNH SNGXXXXXXX XXXXXXPWAR QDTEATTYFV DATA SEQUENCE DLTHRFTNDW KLRAAYSHTD GRYLMKHVXX FSNYDGNLDR DDIHFSLSAP DATA SEQUENCE FEAFGLRHEV ALGWMSIDNH SDIQRYAMXX XXXXXXXXXX XXXTLSPADD DATA SEQUENCE VRTKQTGAYL VGRFALAEPL HLIVGDRWSD WKTKQMYFGS RREYRIKNQF DATA SEQUENCE TPYAGLTYDI NDTYTAYASY TEIFQPQNAR DTSGGILPPI KSKSYELGLK DATA SEQUENCE AAYLEGRLNT SAALFQTRQD NLAQVIPGSS IPGFPNMQAS RAASGAKVEG DATA SEQUENCE IDLEASGQIL PDWNIGASYT HFTTKDASGN PINTNHPRSL FKLYTTYRLP DATA SEQUENCE GALHRLTVGG GVDWQSRMXX XXXQDSYALV SLMARFDFNK KLSATLNVNN DATA SEQUENCE LXXXXXXXXX XXXXXXXXXX XRNVMLNLRA QY 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 21 E HA 0.000 nan 4.350 nan 0.000 0.291 21 E C 0.000 176.570 176.600 -0.050 0.000 1.382 21 E CA 0.000 56.371 56.400 -0.048 0.000 0.976 21 E CB 0.000 29.679 29.700 -0.034 0.000 0.812 22 I N -0.763 119.783 120.570 -0.039 0.000 3.783 22 I HA 0.843 5.017 4.170 0.006 0.000 0.272 22 I C 1.371 177.465 176.117 -0.038 0.000 1.329 22 I CA 0.348 61.626 61.300 -0.036 0.000 0.887 22 I CB 0.507 38.494 38.000 -0.022 0.000 1.596 22 I HN 2.101 nan 8.210 nan 0.000 0.712 23 S N 0.428 116.110 115.700 -0.030 0.000 3.392 23 S HA -0.075 4.399 4.470 0.006 0.000 0.693 23 S C 0.437 175.001 174.600 -0.061 0.000 0.620 23 S CA 0.504 58.686 58.200 -0.031 0.000 1.452 23 S CB -0.947 62.236 63.200 -0.027 0.000 0.988 23 S HN 1.831 nan 8.310 nan 0.000 0.932 24 D N 2.757 123.127 120.400 -0.051 0.000 2.378 24 D HA 0.014 4.658 4.640 0.006 0.000 0.227 24 D C 0.789 176.979 176.300 -0.183 0.000 1.012 24 D CA -0.058 53.873 54.000 -0.115 0.000 0.905 24 D CB -0.076 40.742 40.800 0.029 0.000 0.895 24 D HN 0.515 nan 8.370 nan 0.000 0.532 25 L N 1.918 123.103 121.223 -0.063 0.000 2.562 25 L HA 0.103 4.447 4.340 0.006 0.000 0.271 25 L C 1.360 178.182 176.870 -0.081 0.000 1.167 25 L CA 0.669 55.492 54.840 -0.028 0.000 0.917 25 L CB 0.728 42.787 42.059 0.001 0.000 1.187 25 L HN 0.142 nan 8.230 nan 0.000 0.482 26 T N -0.145 114.368 114.554 -0.069 0.000 3.010 26 T HA 0.132 4.486 4.350 0.006 0.000 0.257 26 T C 0.615 175.311 174.700 -0.005 0.000 1.020 26 T CA -0.273 61.785 62.100 -0.070 0.000 0.938 26 T CB -0.124 68.675 68.868 -0.114 0.000 1.049 26 T HN 0.596 nan 8.240 nan 0.000 0.522 27 E N 0.910 121.120 120.200 0.017 0.000 2.324 27 E HA 0.405 4.759 4.350 0.006 0.000 0.271 27 E C 1.132 177.742 176.600 0.016 0.000 1.028 27 E CA 0.708 57.121 56.400 0.022 0.000 0.890 27 E CB -0.180 29.533 29.700 0.021 0.000 1.004 27 E HN 0.551 nan 8.360 nan 0.000 0.431 28 G N 3.092 111.906 108.800 0.022 0.000 2.194 28 G HA2 -0.339 3.625 3.960 0.006 0.000 0.236 28 G HA3 -0.339 3.625 3.960 0.006 0.000 0.236 28 G C 0.917 175.830 174.900 0.022 0.000 0.987 28 G CA 0.611 45.725 45.100 0.022 0.000 0.635 28 G HN 0.683 nan 8.290 nan 0.000 0.520 29 T N -1.836 112.731 114.554 0.022 0.000 3.043 29 T HA 0.133 4.486 4.350 0.006 0.000 0.263 29 T C 1.291 176.013 174.700 0.036 0.000 1.094 29 T CA 1.205 63.317 62.100 0.021 0.000 1.127 29 T CB -0.151 68.722 68.868 0.008 0.000 0.905 29 T HN 1.504 nan 8.240 nan 0.000 0.490 30 N N 0.756 119.488 118.700 0.055 0.000 2.753 30 N HA -0.181 4.563 4.740 0.006 0.000 0.251 30 N C -0.230 175.346 175.510 0.111 0.000 1.097 30 N CA 0.770 53.867 53.050 0.079 0.000 0.786 30 N CB -1.538 36.981 38.487 0.053 0.000 1.137 30 N HN 0.962 nan 8.380 nan 0.000 0.566 31 A N -0.757 122.134 122.820 0.118 0.000 2.320 31 A HA 0.623 4.946 4.320 0.006 0.000 0.334 31 A C 0.045 177.800 177.584 0.285 0.000 1.147 31 A CA -0.411 51.711 52.037 0.142 0.000 0.820 31 A CB 0.519 19.558 19.000 0.065 0.000 1.218 31 A HN 0.271 nan 8.150 nan 0.000 0.482 32 Y N 0.432 120.731 120.300 -0.001 0.000 2.457 32 Y HA 0.235 4.789 4.550 0.007 0.000 0.263 32 Y C 1.421 177.303 175.900 -0.030 0.000 1.164 32 Y CA 0.496 58.593 58.100 -0.005 0.000 1.274 32 Y CB 0.151 38.621 38.460 0.016 0.000 1.097 32 Y HN 0.672 nan 8.280 nan 0.000 0.523 33 T N -1.682 112.931 114.554 0.098 0.000 2.742 33 T HA 0.572 4.926 4.350 0.006 0.000 0.282 33 T C -0.663 174.011 174.700 -0.043 0.000 1.025 33 T CA -0.370 61.735 62.100 0.008 0.000 1.020 33 T CB 1.968 70.840 68.868 0.007 0.000 1.317 33 T HN -0.013 nan 8.240 nan 0.000 0.538 34 T N -0.282 114.223 114.554 -0.082 0.000 2.896 34 T HA 0.443 4.797 4.350 0.006 0.000 0.297 34 T C 0.388 175.025 174.700 -0.106 0.000 1.108 34 T CA -0.418 61.608 62.100 -0.124 0.000 1.004 34 T CB 1.854 70.593 68.868 -0.215 0.000 1.159 34 T HN 0.652 nan 8.240 nan 0.000 0.499 35 E N 0.562 120.698 120.200 -0.107 0.000 2.216 35 E HA 0.310 4.664 4.350 0.006 0.000 0.192 35 E C 0.332 176.872 176.600 -0.100 0.000 0.988 35 E CA 0.265 56.611 56.400 -0.090 0.000 0.834 35 E CB 0.350 30.004 29.700 -0.076 0.000 0.772 35 E HN 0.623 nan 8.360 nan 0.000 0.479 36 A N 0.625 123.374 122.820 -0.118 0.000 2.540 36 A HA 0.615 4.939 4.320 0.006 0.000 0.297 36 A C -0.985 176.531 177.584 -0.114 0.000 1.056 36 A CA -0.633 51.339 52.037 -0.108 0.000 0.700 36 A CB 1.201 20.150 19.000 -0.086 0.000 1.280 36 A HN -0.015 nan 8.150 nan 0.000 0.398 37 M N 0.977 120.517 119.600 -0.100 0.000 2.691 37 M HA 0.520 5.003 4.480 0.006 0.000 0.293 37 M C 0.536 176.787 176.300 -0.081 0.000 1.259 37 M CA -0.386 54.867 55.300 -0.078 0.000 0.827 37 M CB 2.680 35.224 32.600 -0.093 0.000 1.753 37 M HN 0.995 nan 8.290 nan 0.000 0.465 38 S N -2.630 113.025 115.700 -0.076 0.000 2.960 38 S HA 0.137 4.611 4.470 0.006 0.000 0.256 38 S C 0.600 175.127 174.600 -0.122 0.000 1.017 38 S CA -0.296 57.850 58.200 -0.091 0.000 1.144 38 S CB -0.010 63.156 63.200 -0.057 0.000 1.109 38 S HN 0.699 nan 8.310 nan 0.000 0.638 39 T N 2.403 116.874 114.554 -0.138 0.000 2.896 39 T HA 0.186 4.540 4.350 0.006 0.000 0.263 39 T C 2.186 176.770 174.700 -0.192 0.000 1.050 39 T CA 1.320 63.319 62.100 -0.169 0.000 1.140 39 T CB -0.453 68.298 68.868 -0.194 0.000 0.877 39 T HN 0.611 nan 8.240 nan 0.000 0.457 40 A N 1.657 124.367 122.820 -0.184 0.000 1.902 40 A HA -0.088 4.236 4.320 0.006 0.000 0.217 40 A C 2.417 179.831 177.584 -0.282 0.000 1.181 40 A CA 2.183 54.108 52.037 -0.186 0.000 0.623 40 A CB -0.707 18.212 19.000 -0.135 0.000 0.818 40 A HN 0.600 nan 8.150 nan 0.000 0.443 41 T N -6.850 107.517 114.554 -0.312 0.000 3.016 41 T HA 0.459 4.813 4.350 0.006 0.000 0.271 41 T C 1.375 175.870 174.700 -0.342 0.000 0.968 41 T CA 1.001 62.842 62.100 -0.431 0.000 0.891 41 T CB 0.566 69.165 68.868 -0.448 0.000 1.149 41 T HN 1.772 nan 8.240 nan 0.000 0.524 42 G N 1.747 110.396 108.800 -0.252 0.000 2.284 42 G HA2 -0.213 3.751 3.960 0.006 0.000 0.247 42 G HA3 -0.213 3.751 3.960 0.006 0.000 0.247 42 G C -0.077 174.764 174.900 -0.099 0.000 1.012 42 G CA 0.215 45.214 45.100 -0.168 0.000 0.618 42 G HN 0.656 nan 8.290 nan 0.000 0.521 43 L N 1.437 122.581 121.223 -0.131 0.000 2.357 43 L HA 0.545 4.888 4.340 0.006 0.000 0.273 43 L C 0.493 177.304 176.870 -0.100 0.000 1.080 43 L CA -0.631 54.148 54.840 -0.100 0.000 0.803 43 L CB 1.494 43.479 42.059 -0.124 0.000 1.174 43 L HN 0.031 nan 8.230 nan 0.000 0.443 44 T N 4.436 118.944 114.554 -0.078 0.000 2.738 44 T HA 0.511 4.865 4.350 0.006 0.000 0.294 44 T C -0.138 174.505 174.700 -0.095 0.000 0.914 44 T CA -0.078 61.978 62.100 -0.074 0.000 1.052 44 T CB -0.231 68.607 68.868 -0.050 0.000 0.897 44 T HN 0.245 nan 8.240 nan 0.000 0.522 45 L N 2.653 123.811 121.223 -0.107 0.000 2.388 45 L HA 0.514 4.858 4.340 0.006 0.000 0.264 45 L C 0.715 177.514 176.870 -0.118 0.000 0.998 45 L CA -1.187 53.579 54.840 -0.123 0.000 0.817 45 L CB 2.166 44.142 42.059 -0.138 0.000 1.338 45 L HN 0.591 nan 8.230 nan 0.000 0.414 46 S N 0.843 116.472 115.700 -0.119 0.000 2.573 46 S HA 0.165 4.639 4.470 0.006 0.000 0.277 46 S C -1.960 172.566 174.600 -0.124 0.000 1.346 46 S CA -0.816 57.315 58.200 -0.114 0.000 1.034 46 S CB 0.677 63.812 63.200 -0.109 0.000 0.879 46 S HN 0.443 nan 8.310 nan 0.000 0.528 47 P HA -0.243 nan 4.420 nan 0.000 0.217 47 P C 1.663 178.881 177.300 -0.137 0.000 1.158 47 P CA 1.950 64.975 63.100 -0.125 0.000 0.887 47 P CB -0.082 31.556 31.700 -0.103 0.000 0.792 48 R N -0.335 120.093 120.500 -0.119 0.000 2.189 48 R HA -0.073 4.271 4.340 0.006 0.000 0.223 48 R C 1.270 177.506 176.300 -0.107 0.000 1.092 48 R CA 1.312 57.348 56.100 -0.107 0.000 0.989 48 R CB -0.620 29.618 30.300 -0.103 0.000 0.876 48 R HN 0.105 nan 8.270 nan 0.000 0.457 49 E N 0.879 121.004 120.200 -0.125 0.000 2.474 49 E HA 0.068 4.422 4.350 0.006 0.000 0.195 49 E C -0.295 176.224 176.600 -0.135 0.000 1.039 49 E CA 0.340 56.665 56.400 -0.125 0.000 0.881 49 E CB 0.995 30.600 29.700 -0.159 0.000 0.970 49 E HN 0.220 nan 8.360 nan 0.000 0.486 50 T N 3.766 118.214 114.554 -0.176 0.000 2.733 50 T HA 0.227 4.581 4.350 0.006 0.000 0.294 50 T C -2.335 172.163 174.700 -0.337 0.000 0.956 50 T CA -1.513 60.472 62.100 -0.191 0.000 0.987 50 T CB 1.796 70.555 68.868 -0.181 0.000 0.920 50 T HN -0.072 nan 8.240 nan 0.000 0.470 51 P HA 0.267 nan 4.420 nan 0.000 0.212 51 P C -0.475 176.627 177.300 -0.330 0.000 1.816 51 P CA -0.164 62.686 63.100 -0.417 0.000 0.944 51 P CB 0.209 31.956 31.700 0.079 0.000 1.896 52 Q N -0.755 118.773 119.800 -0.452 0.000 2.575 52 Q HA 0.342 4.686 4.340 0.006 0.000 0.290 52 Q C -0.758 175.139 176.000 -0.171 0.000 0.963 52 Q CA -0.787 54.927 55.803 -0.148 0.000 0.783 52 Q CB 1.998 30.699 28.738 -0.061 0.000 1.467 52 Q HN -0.080 nan 8.270 nan 0.000 0.402 53 S N 1.180 116.858 115.700 -0.036 0.000 2.455 53 S HA 0.388 4.862 4.470 0.006 0.000 0.278 53 S C -0.305 174.243 174.600 -0.087 0.000 1.216 53 S CA -0.501 57.681 58.200 -0.029 0.000 1.055 53 S CB -0.033 63.171 63.200 0.006 0.000 0.939 53 S HN 0.357 nan 8.310 nan 0.000 0.494 54 V N 1.104 120.960 119.914 -0.096 0.000 2.876 54 V HA 0.943 5.067 4.120 0.006 0.000 0.312 54 V C -0.315 175.717 176.094 -0.103 0.000 1.085 54 V CA -0.622 61.607 62.300 -0.118 0.000 0.945 54 V CB 2.094 33.837 31.823 -0.134 0.000 1.017 54 V HN 0.638 nan 8.190 nan 0.000 0.428 55 S N 1.390 117.017 115.700 -0.121 0.000 2.618 55 S HA 0.850 5.324 4.470 0.006 0.000 0.277 55 S C -1.002 173.518 174.600 -0.133 0.000 1.138 55 S CA -0.519 57.614 58.200 -0.112 0.000 0.844 55 S CB 2.069 65.202 63.200 -0.111 0.000 1.127 55 S HN 1.338 nan 8.310 nan 0.000 0.474 56 V N 1.464 121.305 119.914 -0.122 0.000 2.914 56 V HA 0.777 4.900 4.120 0.006 0.000 0.314 56 V C -1.500 174.509 176.094 -0.141 0.000 1.084 56 V CA -0.532 61.694 62.300 -0.123 0.000 0.963 56 V CB 2.017 33.766 31.823 -0.124 0.000 1.025 56 V HN 0.684 nan 8.190 nan 0.000 0.432 57 V N 5.059 124.885 119.914 -0.147 0.000 2.350 57 V HA 0.444 4.568 4.120 0.006 0.000 0.285 57 V C 0.377 176.409 176.094 -0.103 0.000 1.014 57 V CA -0.191 62.012 62.300 -0.163 0.000 0.831 57 V CB 1.497 33.212 31.823 -0.180 0.000 1.000 57 V HN 1.065 nan 8.190 nan 0.000 0.433 58 T N 1.682 116.158 114.554 -0.129 0.000 2.849 58 T HA 0.345 4.699 4.350 0.006 0.000 0.284 58 T C 1.158 175.835 174.700 -0.039 0.000 1.004 58 T CA -0.433 61.627 62.100 -0.066 0.000 1.021 58 T CB 1.426 70.253 68.868 -0.067 0.000 1.013 58 T HN 0.443 nan 8.240 nan 0.000 0.527 59 R N 0.709 121.218 120.500 0.016 0.000 2.134 59 R HA -0.209 4.135 4.340 0.006 0.000 0.248 59 R C 2.476 178.785 176.300 0.015 0.000 1.143 59 R CA 2.282 58.398 56.100 0.026 0.000 0.957 59 R CB -1.050 29.273 30.300 0.039 0.000 0.867 59 R HN 0.810 nan 8.270 nan 0.000 0.441 60 Q N 0.026 119.846 119.800 0.032 0.000 2.084 60 Q HA -0.130 4.214 4.340 0.006 0.000 0.202 60 Q C 1.990 178.012 176.000 0.036 0.000 0.978 60 Q CA 1.978 57.835 55.803 0.090 0.000 0.844 60 Q CB -0.043 28.818 28.738 0.205 0.000 0.898 60 Q HN 0.555 nan 8.270 nan 0.000 0.426 61 Q N -0.507 119.183 119.800 -0.184 0.000 2.084 61 Q HA -0.134 4.209 4.340 0.006 0.000 0.202 61 Q C 2.081 177.944 176.000 -0.228 0.000 0.978 61 Q CA 1.557 57.112 55.803 -0.414 0.000 0.844 61 Q CB -0.146 28.231 28.738 -0.602 0.000 0.898 61 Q HN 0.448 nan 8.270 nan 0.000 0.426 62 I N 0.652 121.144 120.570 -0.131 0.000 2.226 62 I HA -0.285 3.889 4.170 0.006 0.000 0.245 62 I C 1.945 178.043 176.117 -0.033 0.000 1.100 62 I CA 1.371 62.629 61.300 -0.071 0.000 1.374 62 I CB -0.137 37.854 38.000 -0.015 0.000 1.057 62 I HN 0.226 nan 8.210 nan 0.000 0.413 63 E N 0.361 120.561 120.200 -0.000 0.000 2.112 63 E HA -0.173 4.181 4.350 0.006 0.000 0.190 63 E C 1.659 178.290 176.600 0.052 0.000 0.979 63 E CA 0.915 57.338 56.400 0.038 0.000 0.814 63 E CB -0.006 29.729 29.700 0.058 0.000 0.762 63 E HN 0.406 nan 8.360 nan 0.000 0.460 64 D N 0.938 121.373 120.400 0.059 0.000 2.117 64 D HA -0.144 4.499 4.640 0.006 0.000 0.197 64 D C 1.479 177.803 176.300 0.039 0.000 0.987 64 D CA 1.193 55.261 54.000 0.114 0.000 0.829 64 D CB -0.037 40.906 40.800 0.238 0.000 0.961 64 D HN 0.161 nan 8.370 nan 0.000 0.460 65 Q N -0.817 118.906 119.800 -0.128 0.000 2.319 65 Q HA 0.268 4.612 4.340 0.006 0.000 0.202 65 Q C 0.701 176.661 176.000 -0.068 0.000 0.896 65 Q CA 0.276 55.943 55.803 -0.226 0.000 0.942 65 Q CB 0.901 29.345 28.738 -0.491 0.000 1.083 65 Q HN 0.231 nan 8.270 nan 0.000 0.510 66 G N 1.772 110.567 108.800 -0.010 0.000 2.338 66 G HA2 -0.269 3.695 3.960 0.006 0.000 0.296 66 G HA3 -0.269 3.695 3.960 0.006 0.000 0.296 66 G C -0.236 174.673 174.900 0.014 0.000 1.040 66 G CA -0.043 45.075 45.100 0.031 0.000 1.004 66 G HN 0.266 nan 8.290 nan 0.000 0.509 67 L N 0.534 121.754 121.223 -0.006 0.000 2.315 67 L HA 0.418 4.762 4.340 0.006 0.000 0.283 67 L C 1.762 178.652 176.870 0.033 0.000 1.089 67 L CA 0.124 54.964 54.840 -0.000 0.000 0.833 67 L CB 0.955 42.998 42.059 -0.026 0.000 1.170 67 L HN 0.407 nan 8.230 nan 0.000 0.442 68 T N -2.639 111.940 114.554 0.042 0.000 2.990 68 T HA 0.162 4.516 4.350 0.006 0.000 0.250 68 T C 0.105 174.844 174.700 0.064 0.000 1.041 68 T CA -0.003 62.139 62.100 0.069 0.000 1.010 68 T CB -0.009 68.916 68.868 0.095 0.000 1.003 68 T HN 0.692 nan 8.240 nan 0.000 0.499 69 D N -0.247 120.184 120.400 0.052 0.000 2.626 69 D HA 0.322 4.965 4.640 0.006 0.000 0.278 69 D C 1.139 177.446 176.300 0.012 0.000 1.211 69 D CA -0.114 53.911 54.000 0.043 0.000 0.903 69 D CB 0.763 41.588 40.800 0.042 0.000 1.408 69 D HN -0.036 nan 8.370 nan 0.000 0.454 70 T N -2.834 111.670 114.554 -0.085 0.000 2.699 70 T HA -0.100 4.253 4.350 0.006 0.000 0.268 70 T C 1.983 176.645 174.700 -0.063 0.000 1.036 70 T CA 1.496 63.426 62.100 -0.283 0.000 1.147 70 T CB -1.232 67.180 68.868 -0.759 0.000 0.862 70 T HN 0.589 nan 8.240 nan 0.000 0.446 71 G N 1.477 110.319 108.800 0.070 0.000 2.421 71 G HA2 0.044 4.007 3.960 0.006 0.000 0.216 71 G HA3 0.044 4.007 3.960 0.006 0.000 0.216 71 G C 1.964 176.994 174.900 0.217 0.000 1.171 71 G CA 0.956 46.199 45.100 0.238 0.000 0.775 71 G HN 0.763 nan 8.290 nan 0.000 0.543 72 A N 0.625 123.531 122.820 0.143 0.000 1.933 72 A HA 0.044 4.367 4.320 0.006 0.000 0.218 72 A C 2.406 180.018 177.584 0.046 0.000 1.175 72 A CA 1.312 53.409 52.037 0.099 0.000 0.628 72 A CB -0.339 18.694 19.000 0.055 0.000 0.814 72 A HN 0.400 nan 8.150 nan 0.000 0.444 73 I N -0.993 119.588 120.570 0.018 0.000 2.179 73 I HA -0.222 3.952 4.170 0.006 0.000 0.242 73 I C 2.394 178.464 176.117 -0.078 0.000 1.088 73 I CA 1.099 62.386 61.300 -0.022 0.000 1.357 73 I CB -0.298 37.718 38.000 0.028 0.000 1.051 73 I HN 0.354 nan 8.210 nan 0.000 0.409 74 L N 1.289 122.436 121.223 -0.127 0.000 2.046 74 L HA -0.131 4.213 4.340 0.006 0.000 0.208 74 L C 2.558 179.381 176.870 -0.079 0.000 1.077 74 L CA 2.059 56.747 54.840 -0.252 0.000 0.747 74 L CB -0.935 40.768 42.059 -0.593 0.000 0.896 74 L HN 0.203 nan 8.230 nan 0.000 0.432 75 A N -1.310 121.567 122.820 0.096 0.000 1.978 75 A HA -0.239 4.084 4.320 0.006 0.000 0.220 75 A C 2.279 179.942 177.584 0.132 0.000 1.170 75 A CA 2.265 54.447 52.037 0.242 0.000 0.636 75 A CB -1.242 17.936 19.000 0.297 0.000 0.810 75 A HN 0.628 nan 8.150 nan 0.000 0.448 76 T N -2.695 111.890 114.554 0.051 0.000 3.088 76 T HA 0.480 4.833 4.350 0.006 0.000 0.259 76 T C 0.836 175.528 174.700 -0.013 0.000 1.122 76 T CA 0.549 62.659 62.100 0.017 0.000 1.095 76 T CB -0.474 68.364 68.868 -0.051 0.000 0.930 76 T HN 0.635 nan 8.240 nan 0.000 0.508 77 A N 2.666 125.463 122.820 -0.038 0.000 2.351 77 A HA 0.579 4.903 4.320 0.006 0.000 0.257 77 A C -2.468 175.094 177.584 -0.036 0.000 1.087 77 A CA -1.714 50.280 52.037 -0.072 0.000 0.798 77 A CB -0.104 18.816 19.000 -0.135 0.000 1.033 77 A HN 0.236 nan 8.150 nan 0.000 0.488 78 P HA 0.216 nan 4.420 nan 0.000 0.265 78 P C 1.037 178.327 177.300 -0.017 0.000 1.193 78 P CA 1.998 65.085 63.100 -0.023 0.000 0.765 78 P CB 0.591 32.276 31.700 -0.026 0.000 0.823 79 G N 2.446 111.251 108.800 0.009 0.000 2.184 79 G HA2 -0.220 3.744 3.960 0.006 0.000 0.264 79 G HA3 -0.220 3.744 3.960 0.006 0.000 0.264 79 G C 0.138 175.064 174.900 0.043 0.000 0.975 79 G CA -0.315 44.795 45.100 0.017 0.000 0.642 79 G HN 0.460 nan 8.290 nan 0.000 0.536 80 I N 1.913 122.519 120.570 0.060 0.000 2.353 80 I HA 0.597 4.770 4.170 0.006 0.000 0.293 80 I C 0.718 176.949 176.117 0.191 0.000 0.992 80 I CA -0.858 60.513 61.300 0.118 0.000 1.268 80 I CB 1.010 39.069 38.000 0.097 0.000 1.387 80 I HN 0.368 nan 8.210 nan 0.000 0.478 81 S N 4.816 120.660 115.700 0.240 0.000 2.599 81 S HA 0.717 5.191 4.470 0.006 0.000 0.294 81 S C -0.596 174.165 174.600 0.268 0.000 1.094 81 S CA -0.842 57.524 58.200 0.276 0.000 0.931 81 S CB 2.153 65.516 63.200 0.272 0.000 1.093 81 S HN 0.232 nan 8.310 nan 0.000 0.488 82 V N 2.786 122.819 119.914 0.199 0.000 2.368 82 V HA 0.493 4.617 4.120 0.006 0.000 0.266 82 V C 0.660 176.771 176.094 0.028 0.000 1.045 82 V CA -0.211 62.093 62.300 0.008 0.000 0.899 82 V CB 0.389 32.148 31.823 -0.108 0.000 1.006 82 V HN 1.101 nan 8.190 nan 0.000 0.470 83 T N 2.046 116.604 114.554 0.006 0.000 2.895 83 T HA 0.674 5.027 4.350 0.006 0.000 0.283 83 T C 0.699 175.339 174.700 -0.101 0.000 1.014 83 T CA -0.021 62.056 62.100 -0.039 0.000 1.037 83 T CB 1.988 70.800 68.868 -0.094 0.000 1.006 83 T HN 0.620 nan 8.240 nan 0.000 0.468 84 R N 0.807 121.200 120.500 -0.177 0.000 2.279 84 R HA 0.648 4.992 4.340 0.006 0.000 0.195 84 R C 2.634 178.576 176.300 -0.597 0.000 0.905 84 R CA 1.809 57.730 56.100 -0.299 0.000 1.044 84 R CB -1.621 28.533 30.300 -0.243 0.000 1.056 84 R HN 1.687 nan 8.270 nan 0.000 0.535 85 S N -0.955 114.501 115.700 -0.408 0.000 2.122 85 S HA -0.426 4.048 4.470 0.006 0.000 0.206 85 S C 1.600 175.938 174.600 -0.436 0.000 1.184 85 S CA 3.735 61.713 58.200 -0.370 0.000 1.816 85 S CB -1.961 61.130 63.200 -0.181 0.000 2.542 85 S HN 1.516 nan 8.310 nan 0.000 0.599 86 D N -2.706 117.195 120.400 -0.831 0.000 2.335 86 D HA 0.717 5.361 4.640 0.006 0.000 0.284 86 D C 1.737 177.794 176.300 -0.405 0.000 1.096 86 D CA 1.860 55.568 54.000 -0.487 0.000 0.844 86 D CB -0.750 39.951 40.800 -0.164 0.000 1.454 86 D HN 1.666 nan 8.370 nan 0.000 0.526 87 S N -1.592 113.735 115.700 -0.621 0.000 3.984 87 S HA 0.627 5.101 4.470 0.006 0.000 0.221 87 S C 0.844 175.332 174.600 -0.187 0.000 1.149 87 S CA 1.619 59.686 58.200 -0.221 0.000 0.950 87 S CB 0.435 63.658 63.200 0.038 0.000 1.216 87 S HN 1.719 nan 8.310 nan 0.000 0.547 88 N N -1.846 116.760 118.700 -0.157 0.000 5.380 88 N HA 0.594 5.338 4.740 0.006 0.000 0.166 88 N C 0.394 175.930 175.510 0.044 0.000 1.036 88 N CA 0.992 53.988 53.050 -0.090 0.000 1.032 88 N CB -0.664 37.773 38.487 -0.085 0.000 1.546 88 N HN 1.990 nan 8.380 nan 0.000 0.732 89 R N -1.401 119.088 120.500 -0.020 0.000 3.728 89 R HA -0.189 4.154 4.340 0.006 0.000 0.478 89 R C 1.543 177.841 176.300 -0.004 0.000 0.932 89 R CA 2.388 58.459 56.100 -0.049 0.000 1.317 89 R CB -3.315 26.945 30.300 -0.067 0.000 1.987 89 R HN 1.883 nan 8.270 nan 0.000 0.509 90 Y N 0.832 121.032 120.300 -0.166 0.000 1.938 90 Y HA -0.019 4.535 4.550 0.006 0.000 0.253 90 Y C 1.923 177.711 175.900 -0.186 0.000 1.163 90 Y CA 2.164 60.174 58.100 -0.149 0.000 1.086 90 Y CB -0.563 37.831 38.460 -0.111 0.000 0.928 90 Y HN 0.581 nan 8.280 nan 0.000 0.493 91 S N -1.923 113.770 115.700 -0.013 0.000 2.634 91 S HA 0.537 5.011 4.470 0.006 0.000 0.296 91 S C -1.227 173.249 174.600 -0.207 0.000 1.104 91 S CA -0.758 57.398 58.200 -0.073 0.000 0.920 91 S CB 0.789 64.034 63.200 0.076 0.000 1.111 91 S HN -0.011 nan 8.310 nan 0.000 0.493 92 F N 1.592 121.608 119.950 0.110 0.000 2.394 92 F HA 0.535 5.066 4.527 0.007 0.000 0.340 92 F C 0.900 176.787 175.800 0.145 0.000 1.105 92 F CA -0.066 58.014 58.000 0.134 0.000 1.124 92 F CB 1.435 40.533 39.000 0.163 0.000 1.145 92 F HN 0.312 nan 8.300 nan 0.000 0.505 93 S N 1.244 117.147 115.700 0.337 0.000 2.599 93 S HA 0.918 5.392 4.470 0.006 0.000 0.287 93 S C -1.197 173.500 174.600 0.161 0.000 1.105 93 S CA -0.821 57.532 58.200 0.256 0.000 0.899 93 S CB 2.095 65.531 63.200 0.393 0.000 1.100 93 S HN 0.777 nan 8.310 nan 0.000 0.482 94 A N 1.544 124.389 122.820 0.043 0.000 2.513 94 A HA 0.734 5.058 4.320 0.006 0.000 0.296 94 A C -0.187 177.273 177.584 -0.207 0.000 1.052 94 A CA -0.776 51.233 52.037 -0.047 0.000 0.714 94 A CB 0.668 19.630 19.000 -0.063 0.000 1.279 94 A HN 0.866 nan 8.150 nan 0.000 0.397 95 R N 1.186 121.459 120.500 -0.379 0.000 3.641 95 R HA -0.235 4.109 4.340 0.006 0.000 0.286 95 R C 1.086 176.834 176.300 -0.919 0.000 1.153 95 R CA 1.399 57.014 56.100 -0.808 0.000 0.775 95 R CB -1.985 27.935 30.300 -0.633 0.000 1.215 95 R HN 2.625 nan 8.270 nan 0.000 0.474 96 G N -1.560 106.673 108.800 -0.945 0.000 2.176 96 G HA2 -0.297 3.667 3.960 0.006 0.000 0.232 96 G HA3 -0.297 3.667 3.960 0.006 0.000 0.232 96 G C -0.064 173.960 174.900 -1.460 0.000 0.986 96 G CA 0.178 44.637 45.100 -1.068 0.000 0.643 96 G HN 0.276 nan 8.290 nan 0.000 0.522 97 F N 0.412 119.984 119.950 -0.631 0.000 2.599 97 F HA 0.635 5.166 4.527 0.006 0.000 0.311 97 F C 0.680 176.395 175.800 -0.143 0.000 1.076 97 F CA -0.712 57.086 58.000 -0.336 0.000 0.937 97 F CB 1.753 40.623 39.000 -0.217 0.000 1.282 97 F HN -0.063 nan 8.300 nan 0.000 0.460 98 T N 3.113 117.798 114.554 0.219 0.000 2.930 98 T HA 0.308 4.661 4.350 0.006 0.000 0.306 98 T C 0.246 175.036 174.700 0.149 0.000 1.045 98 T CA 0.001 62.228 62.100 0.212 0.000 1.134 98 T CB 0.114 69.105 68.868 0.204 0.000 0.961 98 T HN 0.273 nan 8.240 nan 0.000 0.545 99 I N 4.386 125.056 120.570 0.165 0.000 2.308 99 I HA 0.112 4.286 4.170 0.006 0.000 0.293 99 I C 1.079 177.257 176.117 0.101 0.000 1.078 99 I CA -0.164 61.218 61.300 0.135 0.000 1.292 99 I CB 0.497 38.620 38.000 0.205 0.000 1.423 99 I HN 0.738 nan 8.210 nan 0.000 0.493 100 D N 4.283 124.709 120.400 0.043 0.000 2.398 100 D HA 0.057 4.701 4.640 0.006 0.000 0.210 100 D C -0.023 176.263 176.300 -0.024 0.000 1.094 100 D CA -0.077 53.933 54.000 0.017 0.000 0.839 100 D CB 0.184 40.998 40.800 0.022 0.000 0.963 100 D HN 0.451 nan 8.370 nan 0.000 0.506 101 N N -0.601 118.094 118.700 -0.009 0.000 2.225 101 N HA 0.406 5.150 4.740 0.006 0.000 0.298 101 N C -1.515 174.109 175.510 0.190 0.000 1.076 101 N CA -0.662 52.391 53.050 0.005 0.000 0.792 101 N CB 1.810 40.270 38.487 -0.046 0.000 1.498 101 N HN -0.191 nan 8.380 nan 0.000 0.474 102 F N 0.840 120.728 119.950 -0.104 0.000 2.598 102 F HA 0.517 5.048 4.527 0.006 0.000 0.327 102 F C -0.003 175.623 175.800 -0.290 0.000 1.057 102 F CA -0.744 57.123 58.000 -0.221 0.000 0.957 102 F CB 1.800 40.661 39.000 -0.231 0.000 1.278 102 F HN 0.286 nan 8.300 nan 0.000 0.484 103 Q N 0.714 120.319 119.800 -0.325 0.000 2.375 103 Q HA 0.566 4.910 4.340 0.006 0.000 0.271 103 Q C -1.885 173.746 176.000 -0.615 0.000 1.074 103 Q CA -0.624 54.992 55.803 -0.312 0.000 0.808 103 Q CB 3.032 31.622 28.738 -0.248 0.000 1.327 103 Q HN 0.408 nan 8.270 nan 0.000 0.441 104 F N 1.446 121.401 119.950 0.009 0.000 2.499 104 F HA 0.244 4.775 4.527 0.006 0.000 0.333 104 F C -0.162 175.610 175.800 -0.046 0.000 1.138 104 F CA -0.809 57.182 58.000 -0.015 0.000 0.945 104 F CB 1.618 40.618 39.000 0.001 0.000 1.181 104 F HN 0.531 nan 8.300 nan 0.000 0.435 105 D N 2.618 123.040 120.400 0.038 0.000 2.751 105 D HA -0.207 4.436 4.640 0.006 0.000 0.233 105 D C 1.386 177.731 176.300 0.074 0.000 1.149 105 D CA 1.808 55.812 54.000 0.007 0.000 0.682 105 D CB -0.944 39.804 40.800 -0.086 0.000 1.068 105 D HN 1.108 nan 8.370 nan 0.000 0.429 106 G N -1.241 107.563 108.800 0.007 0.000 2.179 106 G HA2 -0.329 3.635 3.960 0.006 0.000 0.260 106 G HA3 -0.329 3.635 3.960 0.006 0.000 0.260 106 G C 0.313 175.229 174.900 0.026 0.000 0.977 106 G CA 0.375 45.477 45.100 0.003 0.000 0.641 106 G HN 0.479 nan 8.290 nan 0.000 0.533 107 L N 1.564 122.841 121.223 0.091 0.000 2.260 107 L HA 0.513 4.856 4.340 0.006 0.000 0.289 107 L C 0.886 177.792 176.870 0.060 0.000 1.057 107 L CA -1.074 53.819 54.840 0.089 0.000 0.811 107 L CB 1.650 43.817 42.059 0.179 0.000 1.184 107 L HN -0.072 nan 8.230 nan 0.000 0.429 108 V N 2.966 122.872 119.914 -0.013 0.000 2.585 108 V HA 0.084 4.207 4.120 0.006 0.000 0.296 108 V C 0.583 176.687 176.094 0.016 0.000 1.035 108 V CA 0.080 62.364 62.300 -0.025 0.000 1.084 108 V CB 1.189 32.961 31.823 -0.086 0.000 0.953 108 V HN 0.925 nan 8.190 nan 0.000 0.483 109 S N 6.662 122.402 115.700 0.068 0.000 2.647 109 S HA 0.589 5.063 4.470 0.006 0.000 0.300 109 S C -2.719 171.884 174.600 0.004 0.000 1.129 109 S CA -1.639 56.597 58.200 0.060 0.000 1.029 109 S CB 2.206 65.524 63.200 0.196 0.000 1.007 109 S HN 0.525 nan 8.310 nan 0.000 0.484 110 P HA 0.194 nan 4.420 nan 0.000 0.268 110 P C 0.596 177.905 177.300 0.015 0.000 1.205 110 P CA -0.388 62.622 63.100 -0.150 0.000 0.771 110 P CB 0.420 31.822 31.700 -0.497 0.000 0.858 111 I N -1.048 119.527 120.570 0.009 0.000 4.327 111 I HA 0.226 4.400 4.170 0.006 0.000 0.331 111 I C 0.262 176.407 176.117 0.046 0.000 1.348 111 I CA -0.216 61.069 61.300 -0.025 0.000 1.152 111 I CB 0.085 37.854 38.000 -0.385 0.000 1.151 111 I HN 0.031 nan 8.210 nan 0.000 0.410 112 L N 1.535 122.842 121.223 0.141 0.000 2.417 112 L HA 0.321 4.665 4.340 0.006 0.000 0.268 112 L C 1.385 178.314 176.870 0.099 0.000 1.158 112 L CA 0.447 55.352 54.840 0.109 0.000 0.819 112 L CB 1.169 43.299 42.059 0.118 0.000 1.112 112 L HN 0.469 nan 8.230 nan 0.000 0.458 113 S N 1.277 116.953 115.700 -0.039 0.000 4.139 113 S HA -0.335 4.138 4.470 0.006 0.000 0.603 113 S C 1.239 175.705 174.600 -0.223 0.000 1.897 113 S CA 1.598 59.714 58.200 -0.140 0.000 4.241 113 S CB -0.913 62.216 63.200 -0.119 0.000 0.221 113 S HN 0.943 nan 8.310 nan 0.000 0.488 114 Q N 0.579 120.166 119.800 -0.354 0.000 2.482 114 Q HA -0.006 4.338 4.340 0.006 0.000 0.209 114 Q C 1.575 177.434 176.000 -0.236 0.000 0.961 114 Q CA 1.251 56.812 55.803 -0.403 0.000 0.945 114 Q CB -0.413 28.032 28.738 -0.489 0.000 1.012 114 Q HN 0.867 nan 8.270 nan 0.000 0.515 115 W N 1.229 122.577 121.300 0.079 0.000 2.704 115 W HA 0.187 4.852 4.660 0.008 0.000 0.266 115 W C 1.947 178.550 176.519 0.139 0.000 1.266 115 W CA 0.006 57.414 57.345 0.104 0.000 1.377 115 W CB -0.028 29.452 29.460 0.033 0.000 1.082 115 W HN 0.260 nan 8.180 nan 0.000 0.608 116 N N 0.344 119.183 118.700 0.233 0.000 2.023 116 N HA -0.326 4.418 4.740 0.006 0.000 0.200 116 N C -0.045 175.588 175.510 0.205 0.000 1.048 116 N CA 1.940 55.056 53.050 0.109 0.000 0.872 116 N CB -0.501 37.960 38.487 -0.043 0.000 1.070 116 N HN 0.029 nan 8.380 nan 0.000 0.441 117 Y N -0.474 119.803 120.300 -0.037 0.000 3.054 117 Y HA -0.237 4.318 4.550 0.008 0.000 0.210 117 Y C 1.214 177.107 175.900 -0.012 0.000 1.212 117 Y CA 0.887 58.979 58.100 -0.013 0.000 1.118 117 Y CB -1.774 36.691 38.460 0.008 0.000 1.292 117 Y HN 0.505 nan 8.280 nan 0.000 0.533 118 G N -2.145 106.691 108.800 0.060 0.000 2.175 118 G HA2 -0.354 3.610 3.960 0.006 0.000 0.244 118 G HA3 -0.354 3.610 3.960 0.006 0.000 0.244 118 G C 1.202 176.132 174.900 0.049 0.000 0.982 118 G CA 0.552 45.674 45.100 0.037 0.000 0.641 118 G HN 0.505 nan 8.290 nan 0.000 0.527 119 S N 0.245 115.996 115.700 0.085 0.000 2.374 119 S HA -0.153 4.321 4.470 0.006 0.000 0.227 119 S C 2.492 177.258 174.600 0.277 0.000 1.037 119 S CA 2.671 60.991 58.200 0.200 0.000 1.024 119 S CB -0.339 62.992 63.200 0.219 0.000 0.861 119 S HN 1.326 nan 8.310 nan 0.000 0.456 120 T N -1.364 113.294 114.554 0.174 0.000 3.129 120 T HA 0.156 4.510 4.350 0.006 0.000 0.251 120 T C 0.311 175.116 174.700 0.175 0.000 1.117 120 T CA 0.285 62.550 62.100 0.274 0.000 1.034 120 T CB 0.045 69.096 68.868 0.305 0.000 0.968 120 T HN 0.197 nan 8.240 nan 0.000 0.526 121 D N 0.287 120.744 120.400 0.094 0.000 2.540 121 D HA 0.220 4.863 4.640 0.006 0.000 0.229 121 D C -0.002 176.312 176.300 0.024 0.000 1.250 121 D CA -0.285 53.746 54.000 0.052 0.000 0.817 121 D CB 0.385 41.202 40.800 0.029 0.000 1.060 121 D HN 0.308 nan 8.370 nan 0.000 0.508 122 M N 1.400 121.008 119.600 0.014 0.000 2.228 122 M HA 0.051 4.535 4.480 0.006 0.000 0.351 122 M C 0.561 176.890 176.300 0.048 0.000 1.233 122 M CA -0.051 55.255 55.300 0.009 0.000 1.129 122 M CB 0.339 32.954 32.600 0.026 0.000 1.604 122 M HN -0.076 nan 8.290 nan 0.000 0.457 123 D N 2.230 122.637 120.400 0.012 0.000 2.487 123 D HA 0.072 4.716 4.640 0.006 0.000 0.243 123 D C 0.635 176.958 176.300 0.038 0.000 1.154 123 D CA 0.136 54.144 54.000 0.014 0.000 0.876 123 D CB 1.030 41.821 40.800 -0.016 0.000 1.161 123 D HN 0.716 nan 8.370 nan 0.000 0.478 124 A N 4.086 126.958 122.820 0.088 0.000 2.076 124 A HA -0.131 4.193 4.320 0.006 0.000 0.220 124 A C 2.111 179.723 177.584 0.047 0.000 1.160 124 A CA 1.720 53.852 52.037 0.159 0.000 0.653 124 A CB -0.305 18.760 19.000 0.108 0.000 0.801 124 A HN 0.688 nan 8.150 nan 0.000 0.455 125 A N -0.089 122.704 122.820 -0.047 0.000 2.076 125 A HA -0.077 4.247 4.320 0.006 0.000 0.220 125 A C 1.923 179.373 177.584 -0.224 0.000 1.160 125 A CA 1.440 53.422 52.037 -0.091 0.000 0.653 125 A CB -0.589 18.377 19.000 -0.057 0.000 0.801 125 A HN 0.537 nan 8.150 nan 0.000 0.455 126 I N -1.909 118.366 120.570 -0.491 0.000 2.676 126 I HA -0.105 4.069 4.170 0.006 0.000 0.259 126 I C -0.079 175.521 176.117 -0.862 0.000 1.194 126 I CA 0.435 61.207 61.300 -0.879 0.000 1.473 126 I CB -0.120 37.016 38.000 -1.440 0.000 1.096 126 I HN 0.278 nan 8.210 nan 0.000 0.443 127 Y N 0.130 120.336 120.300 -0.157 0.000 2.377 127 Y HA 0.159 4.712 4.550 0.006 0.000 0.339 127 Y C 1.097 176.957 175.900 -0.066 0.000 1.011 127 Y CA -1.280 56.751 58.100 -0.114 0.000 1.093 127 Y CB 0.735 39.174 38.460 -0.033 0.000 1.201 127 Y HN -0.112 nan 8.280 nan 0.000 0.455 128 D N 1.213 121.668 120.400 0.091 0.000 2.120 128 D HA -0.118 4.526 4.640 0.006 0.000 0.202 128 D C 0.078 176.486 176.300 0.179 0.000 0.972 128 D CA 1.451 55.521 54.000 0.116 0.000 0.837 128 D CB 0.381 41.276 40.800 0.158 0.000 0.989 128 D HN 0.806 nan 8.370 nan 0.000 0.469 129 H N -2.418 116.661 119.070 0.016 0.000 2.932 129 H HA 0.435 4.995 4.556 0.007 0.000 0.307 129 H C -1.695 173.543 175.328 -0.150 0.000 1.391 129 H CA -0.796 55.214 56.048 -0.062 0.000 1.130 129 H CB 1.197 30.902 29.762 -0.095 0.000 1.836 129 H HN -0.114 nan 8.280 nan 0.000 0.522 130 V N 0.860 120.612 119.914 -0.271 0.000 2.604 130 V HA 0.313 4.437 4.120 0.006 0.000 0.305 130 V C -0.638 175.250 176.094 -0.344 0.000 1.043 130 V CA -0.508 61.432 62.300 -0.600 0.000 0.888 130 V CB 1.671 32.907 31.823 -0.979 0.000 0.995 130 V HN 0.805 nan 8.190 nan 0.000 0.429 131 E N 6.838 126.801 120.200 -0.395 0.000 2.175 131 E HA 0.487 4.841 4.350 0.006 0.000 0.278 131 E C -1.125 175.258 176.600 -0.363 0.000 0.969 131 E CA -0.705 55.541 56.400 -0.257 0.000 0.796 131 E CB 2.001 31.598 29.700 -0.171 0.000 1.104 131 E HN 0.418 nan 8.360 nan 0.000 0.395 132 I N 2.355 122.753 120.570 -0.286 0.000 2.493 132 I HA 0.374 4.547 4.170 0.006 0.000 0.298 132 I C -0.222 175.767 176.117 -0.213 0.000 0.998 132 I CA -1.115 60.019 61.300 -0.277 0.000 1.137 132 I CB 1.551 39.406 38.000 -0.242 0.000 1.310 132 I HN 0.258 nan 8.210 nan 0.000 0.445 133 V N 6.171 125.961 119.914 -0.207 0.000 2.524 133 V HA 0.460 4.584 4.120 0.006 0.000 0.297 133 V C 0.062 176.051 176.094 -0.175 0.000 1.035 133 V CA -0.832 61.364 62.300 -0.174 0.000 0.867 133 V CB 2.021 33.744 31.823 -0.167 0.000 1.004 133 V HN 0.654 nan 8.190 nan 0.000 0.426 134 R N 2.319 122.717 120.500 -0.169 0.000 2.457 134 R HA 0.772 5.116 4.340 0.006 0.000 0.284 134 R C 0.758 176.918 176.300 -0.233 0.000 1.024 134 R CA 0.679 56.655 56.100 -0.206 0.000 1.025 134 R CB 1.606 31.774 30.300 -0.220 0.000 1.063 134 R HN 1.208 nan 8.270 nan 0.000 0.493 135 G N 0.686 109.317 108.800 -0.281 0.000 2.548 135 G HA2 -0.090 3.874 3.960 0.006 0.000 0.208 135 G HA3 -0.090 3.874 3.960 0.006 0.000 0.208 135 G C -0.931 173.820 174.900 -0.248 0.000 1.308 135 G CA -0.536 44.394 45.100 -0.284 0.000 0.924 135 G HN 0.792 nan 8.290 nan 0.000 0.540 136 A N -0.277 122.391 122.820 -0.254 0.000 2.450 136 A HA 0.688 5.011 4.320 0.006 0.000 0.255 136 A C 1.255 178.709 177.584 -0.217 0.000 1.096 136 A CA 1.545 53.424 52.037 -0.264 0.000 0.778 136 A CB 0.065 18.883 19.000 -0.302 0.000 1.031 136 A HN 2.383 nan 8.150 nan 0.000 0.494 137 T N -0.487 113.942 114.554 -0.208 0.000 3.487 137 T HA 0.346 4.699 4.350 0.006 0.000 0.287 137 T C 1.080 175.670 174.700 -0.182 0.000 1.004 137 T CA 0.442 62.440 62.100 -0.170 0.000 0.977 137 T CB 0.103 68.865 68.868 -0.178 0.000 1.180 137 T HN 0.856 nan 8.240 nan 0.000 0.490 138 G N 1.511 110.198 108.800 -0.188 0.000 2.471 138 G HA2 -0.032 3.932 3.960 0.006 0.000 0.219 138 G HA3 -0.032 3.932 3.960 0.006 0.000 0.219 138 G C 1.217 176.022 174.900 -0.159 0.000 1.125 138 G CA 0.753 45.740 45.100 -0.188 0.000 0.775 138 G HN 0.502 nan 8.290 nan 0.000 0.548 139 L N 0.090 121.219 121.223 -0.157 0.000 2.013 139 L HA -0.038 4.306 4.340 0.006 0.000 0.212 139 L C 2.446 179.165 176.870 -0.252 0.000 1.073 139 L CA 1.942 56.671 54.840 -0.186 0.000 0.753 139 L CB -0.175 41.754 42.059 -0.218 0.000 0.890 139 L HN 0.130 nan 8.230 nan 0.000 0.432 140 M N -2.336 117.092 119.600 -0.287 0.000 2.534 140 M HA 0.077 4.560 4.480 0.006 0.000 0.263 140 M C 2.036 178.187 176.300 -0.249 0.000 1.152 140 M CA 0.911 56.010 55.300 -0.335 0.000 1.145 140 M CB -0.979 31.416 32.600 -0.341 0.000 1.333 140 M HN 0.192 nan 8.290 nan 0.000 0.477 141 T N 0.390 114.815 114.554 -0.214 0.000 2.809 141 T HA 0.287 4.641 4.350 0.006 0.000 0.260 141 T C 1.357 175.946 174.700 -0.184 0.000 1.039 141 T CA 1.409 63.390 62.100 -0.199 0.000 1.141 141 T CB -0.173 68.569 68.868 -0.211 0.000 0.869 141 T HN 0.573 nan 8.240 nan 0.000 0.437 142 G N 1.336 110.030 108.800 -0.177 0.000 2.545 142 G HA2 -0.227 3.737 3.960 0.006 0.000 0.240 142 G HA3 -0.227 3.737 3.960 0.006 0.000 0.240 142 G C 0.219 174.800 174.900 -0.533 0.000 1.172 142 G CA -0.041 44.961 45.100 -0.164 0.000 0.949 142 G HN 1.107 nan 8.290 nan 0.000 0.574 143 S N 0.530 115.834 115.700 -0.660 0.000 2.592 143 S HA 0.748 5.222 4.470 0.006 0.000 0.271 143 S C 0.572 174.838 174.600 -0.557 0.000 1.326 143 S CA 1.097 58.678 58.200 -1.032 0.000 1.024 143 S CB 1.395 64.120 63.200 -0.791 0.000 0.921 143 S HN 2.686 nan 8.310 nan 0.000 0.527 144 G N 1.400 109.886 108.800 -0.524 0.000 2.320 144 G HA2 0.265 4.229 3.960 0.006 0.000 0.297 144 G HA3 0.265 4.229 3.960 0.006 0.000 0.297 144 G C -1.950 172.767 174.900 -0.306 0.000 1.344 144 G CA -1.079 43.828 45.100 -0.321 0.000 0.851 144 G HN 0.695 nan 8.290 nan 0.000 0.567 145 N N 0.813 119.371 118.700 -0.237 0.000 2.492 145 N HA 0.521 5.265 4.740 0.006 0.000 0.289 145 N C -2.222 173.082 175.510 -0.344 0.000 1.133 145 N CA -1.479 51.394 53.050 -0.295 0.000 0.961 145 N CB 1.973 40.370 38.487 -0.149 0.000 1.186 145 N HN 0.260 nan 8.380 nan 0.000 0.493 146 P HA 0.093 nan 4.420 nan 0.000 0.226 146 P C 0.159 177.276 177.300 -0.305 0.000 1.758 146 P CA 0.063 62.898 63.100 -0.442 0.000 0.896 146 P CB -0.227 31.138 31.700 -0.558 0.000 1.784 147 S N -0.103 115.479 115.700 -0.197 0.000 2.440 147 S HA 0.588 5.062 4.470 0.006 0.000 0.194 147 S C 0.764 175.273 174.600 -0.153 0.000 0.952 147 S CA 0.180 58.313 58.200 -0.111 0.000 0.898 147 S CB -0.167 63.026 63.200 -0.010 0.000 0.875 147 S HN 0.316 nan 8.310 nan 0.000 0.581 148 A N 0.159 122.904 122.820 -0.126 0.000 2.589 148 A HA 0.813 5.137 4.320 0.006 0.000 0.296 148 A C -0.898 176.599 177.584 -0.146 0.000 1.062 148 A CA -0.417 51.533 52.037 -0.146 0.000 0.686 148 A CB 0.993 19.913 19.000 -0.134 0.000 1.282 148 A HN 1.108 nan 8.150 nan 0.000 0.404 149 A N 0.543 123.255 122.820 -0.180 0.000 2.310 149 A HA 0.686 5.010 4.320 0.006 0.000 0.299 149 A C -0.646 176.774 177.584 -0.273 0.000 1.147 149 A CA -0.399 51.518 52.037 -0.199 0.000 0.818 149 A CB 0.665 19.541 19.000 -0.205 0.000 1.096 149 A HN 1.484 nan 8.150 nan 0.000 0.495 150 V N 3.507 123.217 119.914 -0.340 0.000 2.447 150 V HA 0.325 4.448 4.120 0.006 0.000 0.292 150 V C -0.209 175.432 176.094 -0.754 0.000 1.021 150 V CA -0.593 61.351 62.300 -0.593 0.000 0.850 150 V CB 1.315 32.747 31.823 -0.652 0.000 1.005 150 V HN 0.963 nan 8.190 nan 0.000 0.426 151 N N 4.554 122.777 118.700 -0.795 0.000 2.569 151 N HA 0.467 5.211 4.740 0.006 0.000 0.254 151 N C -1.196 173.798 175.510 -0.859 0.000 1.004 151 N CA -0.507 52.131 53.050 -0.686 0.000 0.904 151 N CB 0.764 39.001 38.487 -0.416 0.000 1.165 151 N HN 0.448 nan 8.380 nan 0.000 0.513 152 F N 2.566 122.074 119.950 -0.736 0.000 2.471 152 F HA 0.191 4.723 4.527 0.007 0.000 0.365 152 F C 0.505 176.072 175.800 -0.388 0.000 1.095 152 F CA -0.491 57.092 58.000 -0.696 0.000 1.174 152 F CB 0.914 39.282 39.000 -1.052 0.000 1.105 152 F HN 0.050 nan 8.300 nan 0.000 0.535 153 V N 5.465 125.211 119.914 -0.279 0.000 2.350 153 V HA 0.347 4.471 4.120 0.006 0.000 0.276 153 V C 0.371 176.458 176.094 -0.012 0.000 1.028 153 V CA -1.003 61.161 62.300 -0.228 0.000 0.860 153 V CB 1.001 32.494 31.823 -0.550 0.000 0.990 153 V HN 0.647 nan 8.190 nan 0.000 0.453 154 R N 3.370 123.878 120.500 0.012 0.000 2.490 154 R HA 0.299 4.643 4.340 0.006 0.000 0.280 154 R C 0.116 176.371 176.300 -0.074 0.000 1.077 154 R CA -0.591 55.449 56.100 -0.100 0.000 1.065 154 R CB 0.871 30.986 30.300 -0.307 0.000 1.003 154 R HN 0.597 nan 8.270 nan 0.000 0.470 155 K N 2.548 122.892 120.400 -0.092 0.000 2.527 155 K HA -0.041 4.282 4.320 0.006 0.000 0.278 155 K C 0.203 176.850 176.600 0.078 0.000 0.981 155 K CA 0.533 56.822 56.287 0.003 0.000 1.009 155 K CB 0.417 32.915 32.500 -0.004 0.000 0.895 155 K HN 0.224 nan 8.250 nan 0.000 0.493 156 R N 2.135 122.664 120.500 0.048 0.000 2.854 156 R HA 0.416 4.760 4.340 0.006 0.000 0.271 156 R C -2.563 173.742 176.300 0.009 0.000 0.996 156 R CA -2.483 53.644 56.100 0.043 0.000 0.961 156 R CB 0.976 31.302 30.300 0.043 0.000 1.182 156 R HN 0.437 nan 8.270 nan 0.000 0.479 157 P HA 0.178 nan 4.420 nan 0.000 0.269 157 P C -0.191 177.097 177.300 -0.019 0.000 1.209 157 P CA -0.119 62.963 63.100 -0.030 0.000 0.776 157 P CB 0.519 32.202 31.700 -0.028 0.000 0.876 158 L N 2.271 123.474 121.223 -0.035 0.000 2.431 158 L HA 0.384 4.728 4.340 0.006 0.000 0.260 158 L C 1.906 178.773 176.870 -0.006 0.000 1.098 158 L CA -0.524 54.304 54.840 -0.019 0.000 0.800 158 L CB 0.536 42.576 42.059 -0.033 0.000 1.210 158 L HN 0.266 nan 8.230 nan 0.000 0.465 159 R N -0.526 119.980 120.500 0.010 0.000 2.210 159 R HA 0.003 4.347 4.340 0.006 0.000 0.203 159 R C -0.385 175.937 176.300 0.036 0.000 1.010 159 R CA 0.422 56.535 56.100 0.022 0.000 1.008 159 R CB 0.278 30.593 30.300 0.025 0.000 0.923 159 R HN 0.672 nan 8.270 nan 0.000 0.469 160 E N -1.731 118.494 120.200 0.041 0.000 2.339 160 E HA 0.197 4.551 4.350 0.006 0.000 0.262 160 E C -1.073 175.569 176.600 0.070 0.000 0.934 160 E CA -0.986 55.461 56.400 0.077 0.000 0.802 160 E CB 0.518 30.279 29.700 0.101 0.000 1.275 160 E HN -0.108 nan 8.360 nan 0.000 0.427 161 F N 1.043 120.970 119.950 -0.038 0.000 2.572 161 F HA 0.388 4.919 4.527 0.006 0.000 0.370 161 F C -0.328 175.410 175.800 -0.103 0.000 1.103 161 F CA 0.474 58.403 58.000 -0.120 0.000 1.286 161 F CB 0.249 39.109 39.000 -0.234 0.000 1.105 161 F HN 0.589 nan 8.300 nan 0.000 0.583 162 A N 4.444 126.751 122.820 -0.856 0.000 2.574 162 A HA 0.875 5.199 4.320 0.006 0.000 0.297 162 A C -1.725 175.401 177.584 -0.763 0.000 1.062 162 A CA -0.183 51.560 52.037 -0.490 0.000 0.686 162 A CB 1.124 20.005 19.000 -0.199 0.000 1.285 162 A HN 1.500 nan 8.150 nan 0.000 0.403 163 A N 0.891 123.489 122.820 -0.369 0.000 2.455 163 A HA 0.881 5.205 4.320 0.006 0.000 0.300 163 A C -0.565 176.853 177.584 -0.277 0.000 1.040 163 A CA -0.373 51.438 52.037 -0.378 0.000 0.697 163 A CB 1.516 20.419 19.000 -0.162 0.000 1.265 163 A HN 1.100 nan 8.150 nan 0.000 0.407 164 T N 1.640 115.871 114.554 -0.538 0.000 2.886 164 T HA 0.717 5.071 4.350 0.006 0.000 0.292 164 T C -1.216 173.072 174.700 -0.687 0.000 1.012 164 T CA -0.054 61.814 62.100 -0.387 0.000 0.982 164 T CB 0.647 69.410 68.868 -0.175 0.000 1.018 164 T HN 0.389 nan 8.240 nan 0.000 0.451 165 F N 1.806 121.788 119.950 0.053 0.000 2.565 165 F HA 0.565 5.096 4.527 0.006 0.000 0.313 165 F C 0.357 176.191 175.800 0.057 0.000 1.091 165 F CA -1.021 57.011 58.000 0.053 0.000 0.915 165 F CB 1.933 40.967 39.000 0.057 0.000 1.208 165 F HN 0.326 nan 8.300 nan 0.000 0.453 166 N N 1.425 120.261 118.700 0.227 0.000 2.225 166 N HA 0.746 5.489 4.740 0.006 0.000 0.298 166 N C -1.573 174.024 175.510 0.145 0.000 1.076 166 N CA -0.686 52.461 53.050 0.162 0.000 0.792 166 N CB 2.517 41.075 38.487 0.118 0.000 1.498 166 N HN 0.698 nan 8.380 nan 0.000 0.474 167 A N 1.005 123.896 122.820 0.118 0.000 2.359 167 A HA 0.724 5.048 4.320 0.006 0.000 0.303 167 A C -0.780 176.850 177.584 0.076 0.000 1.066 167 A CA -0.528 51.560 52.037 0.084 0.000 0.730 167 A CB 0.810 19.851 19.000 0.068 0.000 1.211 167 A HN 0.489 nan 8.150 nan 0.000 0.439 168 S N 0.440 116.169 115.700 0.048 0.000 2.568 168 S HA 0.835 5.308 4.470 0.006 0.000 0.293 168 S C -0.234 174.374 174.600 0.014 0.000 1.089 168 S CA -0.542 57.700 58.200 0.068 0.000 0.945 168 S CB 1.767 65.052 63.200 0.141 0.000 1.077 168 S HN 1.670 nan 8.310 nan 0.000 0.485 169 V N -1.439 118.525 119.914 0.083 0.000 3.078 169 V HA 1.097 5.220 4.120 0.006 0.000 0.311 169 V C 0.019 176.235 176.094 0.204 0.000 1.138 169 V CA -0.545 61.807 62.300 0.087 0.000 1.007 169 V CB 1.368 33.222 31.823 0.052 0.000 1.045 169 V HN 1.220 nan 8.190 nan 0.000 0.432 170 G N 0.142 109.089 108.800 0.246 0.000 2.600 170 G HA2 0.564 4.528 3.960 0.006 0.000 0.293 170 G HA3 0.564 4.528 3.960 0.006 0.000 0.293 170 G C -0.767 174.215 174.900 0.138 0.000 1.408 170 G CA -0.389 44.854 45.100 0.237 0.000 0.782 170 G HN 0.976 nan 8.290 nan 0.000 0.482 171 S N 0.318 116.014 115.700 -0.007 0.000 2.558 171 S HA 0.194 4.668 4.470 0.006 0.000 0.287 171 S C 0.067 174.679 174.600 0.020 0.000 1.321 171 S CA 0.793 58.836 58.200 -0.262 0.000 1.048 171 S CB -0.120 62.640 63.200 -0.733 0.000 0.844 171 S HN 0.792 nan 8.310 nan 0.000 0.512 172 W N 1.180 122.516 121.300 0.060 0.000 4.706 172 W HA -0.179 4.485 4.660 0.006 0.000 0.366 172 W C -0.078 176.492 176.519 0.084 0.000 1.382 172 W CA 0.475 57.855 57.345 0.058 0.000 0.832 172 W CB -2.628 26.856 29.460 0.041 0.000 2.504 172 W HN 0.953 nan 8.180 nan 0.000 1.403 173 D N -1.854 118.669 120.400 0.205 0.000 2.837 173 D HA -0.260 4.384 4.640 0.006 0.000 0.230 173 D C -0.002 176.415 176.300 0.195 0.000 1.152 173 D CA 1.745 55.842 54.000 0.161 0.000 0.736 173 D CB -1.523 39.355 40.800 0.130 0.000 1.084 173 D HN 0.467 nan 8.370 nan 0.000 0.429 174 Y N 0.591 120.959 120.300 0.113 0.000 2.377 174 Y HA 0.337 4.890 4.550 0.005 0.000 0.330 174 Y C 0.206 176.145 175.900 0.066 0.000 1.108 174 Y CA -0.453 57.702 58.100 0.091 0.000 1.308 174 Y CB 0.761 39.292 38.460 0.117 0.000 1.216 174 Y HN -0.023 nan 8.280 nan 0.000 0.518 175 V N 5.564 125.138 119.914 -0.568 0.000 2.841 175 V HA 0.742 4.866 4.120 0.006 0.000 0.310 175 V C -1.146 174.543 176.094 -0.675 0.000 1.090 175 V CA -1.161 60.848 62.300 -0.484 0.000 0.930 175 V CB 1.895 33.633 31.823 -0.143 0.000 1.014 175 V HN 0.917 nan 8.190 nan 0.000 0.425 176 R N 2.086 122.317 120.500 -0.448 0.000 2.651 176 R HA 0.790 5.134 4.340 0.006 0.000 0.278 176 R C -0.619 175.664 176.300 -0.029 0.000 1.010 176 R CA 0.011 55.963 56.100 -0.247 0.000 0.896 176 R CB 2.335 32.502 30.300 -0.221 0.000 1.211 176 R HN 1.340 nan 8.270 nan 0.000 0.456 177 G N 1.819 110.659 108.800 0.066 0.000 2.638 177 G HA2 0.505 4.469 3.960 0.006 0.000 0.302 177 G HA3 0.505 4.469 3.960 0.006 0.000 0.302 177 G C -1.713 173.268 174.900 0.134 0.000 1.365 177 G CA -0.523 44.644 45.100 0.112 0.000 0.987 177 G HN 0.683 nan 8.290 nan 0.000 0.495 178 D N -0.741 119.744 120.400 0.141 0.000 2.596 178 D HA 0.747 5.391 4.640 0.006 0.000 0.234 178 D C -0.527 175.865 176.300 0.153 0.000 1.181 178 D CA -0.752 53.326 54.000 0.129 0.000 0.856 178 D CB 1.856 42.701 40.800 0.075 0.000 1.498 178 D HN 0.761 nan 8.370 nan 0.000 0.446 179 A N 0.537 123.414 122.820 0.096 0.000 2.422 179 A HA 0.624 4.948 4.320 0.006 0.000 0.302 179 A C -1.740 175.758 177.584 -0.144 0.000 1.041 179 A CA -0.750 51.282 52.037 -0.008 0.000 0.708 179 A CB 1.738 20.868 19.000 0.217 0.000 1.257 179 A HN 0.583 nan 8.150 nan 0.000 0.414 180 D N 1.950 122.141 120.400 -0.350 0.000 2.602 180 D HA 0.547 5.191 4.640 0.006 0.000 0.245 180 D C -1.339 174.741 176.300 -0.366 0.000 1.325 180 D CA 0.013 53.851 54.000 -0.271 0.000 0.952 180 D CB 0.676 41.345 40.800 -0.218 0.000 1.317 180 D HN 0.417 nan 8.370 nan 0.000 0.577 181 I N 1.896 122.300 120.570 -0.277 0.000 2.478 181 I HA 0.284 4.458 4.170 0.006 0.000 0.287 181 I C -0.086 175.856 176.117 -0.291 0.000 1.042 181 I CA -0.814 60.287 61.300 -0.332 0.000 1.067 181 I CB 2.171 40.053 38.000 -0.196 0.000 1.233 181 I HN 0.108 nan 8.210 nan 0.000 0.431 182 S N 5.068 120.528 115.700 -0.401 0.000 2.422 182 S HA 0.501 4.975 4.470 0.006 0.000 0.298 182 S C -0.222 174.215 174.600 -0.272 0.000 1.118 182 S CA -0.506 57.524 58.200 -0.283 0.000 1.083 182 S CB 1.108 64.167 63.200 -0.236 0.000 0.971 182 S HN 0.326 nan 8.310 nan 0.000 0.478 183 V N 6.891 126.761 119.914 -0.074 0.000 2.378 183 V HA 0.356 4.479 4.120 0.006 0.000 0.288 183 V C -2.410 173.720 176.094 0.060 0.000 1.016 183 V CA -2.358 59.992 62.300 0.084 0.000 0.840 183 V CB 1.209 33.107 31.823 0.126 0.000 0.994 183 V HN 0.574 nan 8.190 nan 0.000 0.431 184 P HA 0.154 nan 4.420 nan 0.000 0.265 184 P C 0.549 177.878 177.300 0.049 0.000 1.193 184 P CA 0.067 63.200 63.100 0.054 0.000 0.765 184 P CB 0.718 32.456 31.700 0.062 0.000 0.823 185 I N 0.536 121.127 120.570 0.034 0.000 2.867 185 I HA 0.025 4.199 4.170 0.006 0.000 0.265 185 I C 1.340 177.472 176.117 0.025 0.000 1.162 185 I CA 1.214 62.531 61.300 0.029 0.000 1.471 185 I CB -1.164 36.851 38.000 0.025 0.000 1.123 185 I HN 0.341 nan 8.210 nan 0.000 0.440 186 T N -2.646 111.923 114.554 0.025 0.000 2.950 186 T HA 0.381 4.735 4.350 0.006 0.000 0.288 186 T C 0.963 175.678 174.700 0.025 0.000 1.035 186 T CA -0.626 61.487 62.100 0.022 0.000 1.028 186 T CB 2.234 71.114 68.868 0.020 0.000 1.109 186 T HN 0.107 nan 8.240 nan 0.000 0.514 187 E N 0.946 121.159 120.200 0.022 0.000 2.038 187 E HA -0.210 4.144 4.350 0.006 0.000 0.195 187 E C 1.630 178.247 176.600 0.028 0.000 1.000 187 E CA 1.832 58.246 56.400 0.024 0.000 0.803 187 E CB -0.290 29.421 29.700 0.019 0.000 0.750 187 E HN 0.901 nan 8.360 nan 0.000 0.448 188 D N -0.241 120.174 120.400 0.025 0.000 2.182 188 D HA -0.115 4.529 4.640 0.006 0.000 0.201 188 D C 1.446 177.763 176.300 0.028 0.000 0.986 188 D CA 1.322 55.337 54.000 0.026 0.000 0.847 188 D CB -0.442 40.371 40.800 0.022 0.000 0.942 188 D HN 0.373 nan 8.370 nan 0.000 0.467 189 G N -0.251 108.566 108.800 0.028 0.000 2.159 189 G HA2 -0.354 3.610 3.960 0.006 0.000 0.227 189 G HA3 -0.354 3.610 3.960 0.006 0.000 0.227 189 G C 1.058 175.972 174.900 0.024 0.000 0.986 189 G CA 0.224 45.340 45.100 0.028 0.000 0.651 189 G HN 0.361 nan 8.290 nan 0.000 0.523 190 R N -0.437 120.077 120.500 0.023 0.000 2.103 190 R HA 0.015 4.359 4.340 0.006 0.000 0.242 190 R C 0.995 177.308 176.300 0.023 0.000 1.142 190 R CA 1.452 57.565 56.100 0.022 0.000 0.960 190 R CB -0.130 30.182 30.300 0.020 0.000 0.858 190 R HN 0.546 nan 8.270 nan 0.000 0.439 191 I N 1.685 122.268 120.570 0.023 0.000 2.378 191 I HA 0.247 4.421 4.170 0.006 0.000 0.291 191 I C -0.366 175.764 176.117 0.022 0.000 0.992 191 I CA -0.642 60.671 61.300 0.023 0.000 1.154 191 I CB 1.626 39.639 38.000 0.022 0.000 1.315 191 I HN 0.081 nan 8.210 nan 0.000 0.448 192 R N 3.720 124.231 120.500 0.018 0.000 2.673 192 R HA 0.792 5.136 4.340 0.006 0.000 0.281 192 R C -1.133 175.165 176.300 -0.002 0.000 0.991 192 R CA -0.743 55.363 56.100 0.011 0.000 0.896 192 R CB 1.991 32.297 30.300 0.009 0.000 1.201 192 R HN 0.621 nan 8.270 nan 0.000 0.457 193 S N 1.527 117.219 115.700 -0.014 0.000 2.634 193 S HA 0.710 5.183 4.470 0.006 0.000 0.296 193 S C -0.664 173.891 174.600 -0.074 0.000 1.104 193 S CA -1.053 57.124 58.200 -0.039 0.000 0.920 193 S CB 2.504 65.691 63.200 -0.021 0.000 1.111 193 S HN 0.804 nan 8.310 nan 0.000 0.493 194 R N 0.568 120.993 120.500 -0.124 0.000 2.548 194 R HA 0.641 4.985 4.340 0.006 0.000 0.280 194 R C -2.236 173.926 176.300 -0.230 0.000 1.061 194 R CA -0.649 55.356 56.100 -0.159 0.000 0.915 194 R CB 1.120 31.338 30.300 -0.137 0.000 1.210 194 R HN 0.749 nan 8.270 nan 0.000 0.442 195 L N 4.038 125.152 121.223 -0.183 0.000 2.381 195 L HA 0.611 4.954 4.340 0.006 0.000 0.274 195 L C -0.903 175.872 176.870 -0.158 0.000 0.988 195 L CA -0.902 53.819 54.840 -0.199 0.000 0.824 195 L CB 2.172 44.221 42.059 -0.016 0.000 1.263 195 L HN 0.248 nan 8.230 nan 0.000 0.410 196 V N 1.731 121.525 119.914 -0.200 0.000 2.604 196 V HA 0.938 5.062 4.120 0.006 0.000 0.305 196 V C -0.201 175.866 176.094 -0.045 0.000 1.043 196 V CA -0.539 61.708 62.300 -0.089 0.000 0.888 196 V CB 1.666 33.468 31.823 -0.036 0.000 0.995 196 V HN 0.862 nan 8.190 nan 0.000 0.429 197 A N 3.304 126.159 122.820 0.059 0.000 2.486 197 A HA 1.023 5.347 4.320 0.006 0.000 0.300 197 A C -0.593 177.072 177.584 0.134 0.000 1.048 197 A CA -0.167 51.966 52.037 0.159 0.000 0.696 197 A CB 1.967 21.119 19.000 0.253 0.000 1.278 197 A HN 1.628 nan 8.150 nan 0.000 0.405 198 A N 0.708 123.622 122.820 0.156 0.000 2.539 198 A HA 0.818 5.142 4.320 0.006 0.000 0.296 198 A C -1.695 176.026 177.584 0.230 0.000 1.073 198 A CA -0.431 51.697 52.037 0.151 0.000 0.700 198 A CB 1.278 20.328 19.000 0.085 0.000 1.296 198 A HN 1.777 nan 8.150 nan 0.000 0.405 199 Y N 0.970 121.302 120.300 0.054 0.000 2.524 199 Y HA 0.673 5.226 4.550 0.005 0.000 0.347 199 Y C -0.231 175.672 175.900 0.006 0.000 1.005 199 Y CA -0.237 57.886 58.100 0.037 0.000 1.025 199 Y CB 2.306 40.785 38.460 0.031 0.000 1.275 199 Y HN 1.133 nan 8.280 nan 0.000 0.460 200 S N 4.036 119.296 115.700 -0.734 0.000 2.556 200 S HA 0.713 5.186 4.470 0.006 0.000 0.271 200 S C -1.588 172.555 174.600 -0.762 0.000 1.135 200 S CA -1.089 56.750 58.200 -0.601 0.000 0.858 200 S CB 2.602 65.691 63.200 -0.185 0.000 1.114 200 S HN 0.715 nan 8.310 nan 0.000 0.468 201 Q N -0.600 118.943 119.800 -0.429 0.000 2.456 201 Q HA 0.800 5.144 4.340 0.006 0.000 0.284 201 Q C -0.529 175.476 176.000 0.008 0.000 1.061 201 Q CA -0.934 54.749 55.803 -0.200 0.000 0.799 201 Q CB 2.514 31.197 28.738 -0.092 0.000 1.445 201 Q HN 1.215 nan 8.270 nan 0.000 0.411 202 G N 0.817 109.663 108.800 0.078 0.000 2.320 202 G HA2 0.494 4.458 3.960 0.006 0.000 0.296 202 G HA3 0.494 4.458 3.960 0.006 0.000 0.296 202 G C -2.148 172.817 174.900 0.108 0.000 1.306 202 G CA -0.364 44.839 45.100 0.172 0.000 0.836 202 G HN 0.711 nan 8.290 nan 0.000 0.517 210 D N 1.166 121.567 120.400 0.003 0.000 2.424 210 D HA 0.528 5.172 4.640 0.006 0.000 0.244 210 D C 0.380 176.706 176.300 0.044 0.000 1.134 210 D CA 1.056 55.075 54.000 0.032 0.000 0.881 210 D CB 1.407 42.237 40.800 0.051 0.000 1.191 210 D HN 0.865 nan 8.370 nan 0.000 0.445 211 T N 0.112 114.690 114.554 0.040 0.000 2.909 211 T HA 0.741 5.095 4.350 0.006 0.000 0.299 211 T C -0.479 174.227 174.700 0.010 0.000 1.073 211 T CA -1.290 60.831 62.100 0.036 0.000 0.999 211 T CB 1.543 70.406 68.868 -0.009 0.000 1.098 211 T HN 0.785 nan 8.240 nan 0.000 0.477 212 R N 0.901 121.397 120.500 -0.007 0.000 2.740 212 R HA 0.827 5.171 4.340 0.006 0.000 0.273 212 R C -1.262 174.944 176.300 -0.157 0.000 0.998 212 R CA -1.256 54.767 56.100 -0.128 0.000 0.900 212 R CB 2.021 32.272 30.300 -0.083 0.000 1.223 212 R HN 0.704 nan 8.270 nan 0.000 0.466 213 R N 1.294 121.641 120.500 -0.254 0.000 2.564 213 R HA 0.437 4.781 4.340 0.006 0.000 0.284 213 R C -1.219 175.060 176.300 -0.036 0.000 1.031 213 R CA -0.773 55.247 56.100 -0.133 0.000 0.904 213 R CB 2.146 32.388 30.300 -0.098 0.000 1.199 213 R HN 0.698 nan 8.270 nan 0.000 0.443 214 R N 1.703 122.277 120.500 0.124 0.000 2.534 214 R HA 0.495 4.839 4.340 0.006 0.000 0.301 214 R C -1.211 175.235 176.300 0.242 0.000 0.961 214 R CA -0.715 55.558 56.100 0.288 0.000 0.871 214 R CB 2.638 33.175 30.300 0.396 0.000 1.170 214 R HN 0.503 nan 8.270 nan 0.000 0.446 215 T N 2.565 117.270 114.554 0.251 0.000 2.921 215 T HA 0.435 4.788 4.350 0.006 0.000 0.297 215 T C -1.481 173.407 174.700 0.314 0.000 1.013 215 T CA -0.624 61.603 62.100 0.213 0.000 0.990 215 T CB 1.145 70.059 68.868 0.078 0.000 1.023 215 T HN 0.395 nan 8.240 nan 0.000 0.447 216 F N 3.315 123.388 119.950 0.204 0.000 2.551 216 F HA 0.747 5.278 4.527 0.006 0.000 0.316 216 F C -1.924 173.982 175.800 0.177 0.000 1.089 216 F CA -1.305 56.793 58.000 0.164 0.000 0.915 216 F CB 1.608 40.696 39.000 0.146 0.000 1.186 216 F HN 0.640 nan 8.300 nan 0.000 0.456 217 Y N 4.319 123.953 120.300 -1.110 0.000 2.330 217 Y HA 0.671 5.224 4.550 0.006 0.000 0.324 217 Y C -1.067 174.194 175.900 -1.064 0.000 1.093 217 Y CA -1.043 56.515 58.100 -0.903 0.000 1.103 217 Y CB 1.759 39.924 38.460 -0.493 0.000 1.183 217 Y HN 0.856 nan 8.280 nan 0.000 0.433 218 G N 4.245 112.267 108.800 -1.296 0.000 2.530 218 G HA2 0.573 4.537 3.960 0.006 0.000 0.316 218 G HA3 0.573 4.537 3.960 0.006 0.000 0.316 218 G C -2.141 172.359 174.900 -0.667 0.000 1.298 218 G CA -0.854 43.768 45.100 -0.797 0.000 0.948 218 G HN 0.881 nan 8.290 nan 0.000 0.486 219 V N 2.984 122.571 119.914 -0.545 0.000 2.686 219 V HA 0.737 4.861 4.120 0.006 0.000 0.306 219 V C -1.084 174.931 176.094 -0.132 0.000 1.065 219 V CA -0.543 61.565 62.300 -0.321 0.000 0.894 219 V CB 2.006 33.616 31.823 -0.355 0.000 1.004 219 V HN 0.601 nan 8.190 nan 0.000 0.424 220 V N 5.487 125.378 119.914 -0.038 0.000 2.495 220 V HA 0.651 4.775 4.120 0.006 0.000 0.298 220 V C 0.120 176.232 176.094 0.031 0.000 1.031 220 V CA -0.310 61.989 62.300 -0.001 0.000 0.871 220 V CB 1.950 33.783 31.823 0.017 0.000 0.988 220 V HN 0.914 nan 8.190 nan 0.000 0.432 221 S N 2.690 118.407 115.700 0.028 0.000 2.503 221 S HA 0.863 5.337 4.470 0.006 0.000 0.301 221 S C -0.210 174.411 174.600 0.036 0.000 1.087 221 S CA -0.442 57.784 58.200 0.043 0.000 1.042 221 S CB 1.747 64.974 63.200 0.044 0.000 1.043 221 S HN 1.097 nan 8.310 nan 0.000 0.489 222 A N 2.336 125.180 122.820 0.040 0.000 2.359 222 A HA 0.583 4.906 4.320 0.006 0.000 0.303 222 A C -1.302 176.303 177.584 0.034 0.000 1.066 222 A CA -0.857 51.200 52.037 0.034 0.000 0.730 222 A CB 0.593 19.612 19.000 0.032 0.000 1.211 222 A HN 0.646 nan 8.150 nan 0.000 0.439 223 D N 3.491 123.909 120.400 0.030 0.000 2.367 223 D HA 0.188 4.832 4.640 0.006 0.000 0.255 223 D C 1.255 177.573 176.300 0.029 0.000 1.300 223 D CA 0.131 54.148 54.000 0.028 0.000 0.959 223 D CB 0.765 41.579 40.800 0.023 0.000 1.064 223 D HN 0.500 nan 8.370 nan 0.000 0.509 224 L N 1.246 122.490 121.223 0.035 0.000 2.217 224 L HA -0.039 4.304 4.340 0.006 0.000 0.211 224 L C 1.460 178.351 176.870 0.035 0.000 1.107 224 L CA 0.857 55.717 54.840 0.033 0.000 0.783 224 L CB -0.338 41.741 42.059 0.033 0.000 0.919 224 L HN 0.385 nan 8.230 nan 0.000 0.442 225 T N -6.183 108.396 114.554 0.042 0.000 2.812 225 T HA 0.359 4.713 4.350 0.006 0.000 0.294 225 T C -2.406 172.308 174.700 0.024 0.000 1.159 225 T CA -1.553 60.571 62.100 0.039 0.000 1.008 225 T CB 1.532 70.438 68.868 0.063 0.000 1.289 225 T HN -0.356 nan 8.240 nan 0.000 0.514 226 P HA 0.108 nan 4.420 nan 0.000 0.226 226 P C 0.341 177.628 177.300 -0.021 0.000 1.146 226 P CA 0.875 63.976 63.100 0.002 0.000 0.773 226 P CB 0.057 31.758 31.700 0.003 0.000 0.772 227 D N -2.393 117.983 120.400 -0.040 0.000 2.503 227 D HA 0.088 4.731 4.640 0.006 0.000 0.218 227 D C -0.151 176.065 176.300 -0.141 0.000 1.183 227 D CA 0.476 54.396 54.000 -0.134 0.000 0.827 227 D CB 0.678 41.329 40.800 -0.247 0.000 1.034 227 D HN 0.092 nan 8.370 nan 0.000 0.510 228 T N 1.082 115.642 114.554 0.010 0.000 2.864 228 T HA 0.386 4.740 4.350 0.006 0.000 0.299 228 T C -0.035 174.697 174.700 0.054 0.000 1.011 228 T CA -0.476 61.680 62.100 0.095 0.000 0.975 228 T CB 2.471 71.442 68.868 0.171 0.000 0.962 228 T HN -0.291 nan 8.240 nan 0.000 0.448 229 V N 4.428 124.370 119.914 0.047 0.000 2.370 229 V HA 0.501 4.625 4.120 0.006 0.000 0.283 229 V C -0.351 175.778 176.094 0.058 0.000 1.023 229 V CA -0.935 61.394 62.300 0.048 0.000 0.857 229 V CB 1.480 33.330 31.823 0.045 0.000 0.985 229 V HN 0.699 nan 8.190 nan 0.000 0.443 230 L N 5.288 126.543 121.223 0.055 0.000 2.272 230 L HA 0.712 5.056 4.340 0.006 0.000 0.289 230 L C 0.142 177.054 176.870 0.070 0.000 1.032 230 L CA 0.694 55.569 54.840 0.057 0.000 0.810 230 L CB 1.630 43.717 42.059 0.046 0.000 1.205 230 L HN 0.768 nan 8.230 nan 0.000 0.422 231 T N 2.994 117.604 114.554 0.093 0.000 2.829 231 T HA 0.688 5.042 4.350 0.006 0.000 0.280 231 T C -0.488 174.300 174.700 0.146 0.000 0.999 231 T CA -0.507 61.671 62.100 0.129 0.000 0.983 231 T CB 1.499 70.482 68.868 0.192 0.000 0.968 231 T HN 0.617 nan 8.240 nan 0.000 0.446 232 T N 2.172 116.812 114.554 0.143 0.000 2.900 232 T HA 0.795 5.148 4.350 0.006 0.000 0.295 232 T C -0.605 174.196 174.700 0.168 0.000 1.044 232 T CA -0.855 61.343 62.100 0.163 0.000 0.995 232 T CB 1.642 70.581 68.868 0.118 0.000 1.072 232 T HN 0.769 nan 8.240 nan 0.000 0.473 233 S N 0.514 116.351 115.700 0.229 0.000 2.570 233 S HA 0.800 5.274 4.470 0.006 0.000 0.270 233 S C -1.541 173.154 174.600 0.160 0.000 1.149 233 S CA -0.827 57.449 58.200 0.127 0.000 0.837 233 S CB 1.837 65.091 63.200 0.091 0.000 1.124 233 S HN 0.731 nan 8.310 nan 0.000 0.465 234 V N 0.951 120.897 119.914 0.053 0.000 2.656 234 V HA 0.732 4.855 4.120 0.006 0.000 0.307 234 V C -1.025 175.099 176.094 0.051 0.000 1.051 234 V CA -0.346 61.978 62.300 0.040 0.000 0.893 234 V CB 1.540 33.419 31.823 0.093 0.000 0.999 234 V HN 1.084 nan 8.190 nan 0.000 0.426 235 E N 4.715 124.943 120.200 0.045 0.000 2.222 235 E HA 0.508 4.862 4.350 0.006 0.000 0.267 235 E C -2.248 174.416 176.600 0.107 0.000 0.884 235 E CA -0.725 55.730 56.400 0.091 0.000 0.764 235 E CB 2.193 31.892 29.700 -0.002 0.000 1.169 235 E HN 0.742 nan 8.360 nan 0.000 0.413 236 Y N 2.891 123.224 120.300 0.055 0.000 2.433 236 Y HA 0.334 4.888 4.550 0.006 0.000 0.337 236 Y C -1.537 174.414 175.900 0.085 0.000 1.026 236 Y CA -0.487 57.658 58.100 0.075 0.000 1.037 236 Y CB 1.834 40.384 38.460 0.150 0.000 1.245 236 Y HN 0.539 nan 8.280 nan 0.000 0.443 237 Q N 4.861 124.252 119.800 -0.682 0.000 2.331 237 Q HA 0.306 4.650 4.340 0.006 0.000 0.272 237 Q C -2.031 173.642 176.000 -0.545 0.000 1.062 237 Q CA -0.859 54.657 55.803 -0.478 0.000 0.806 237 Q CB 1.584 30.210 28.738 -0.186 0.000 1.312 237 Q HN 0.926 nan 8.270 nan 0.000 0.431 238 H N 3.854 122.715 119.070 -0.347 0.000 2.587 238 H HA 0.360 4.919 4.556 0.006 0.000 0.325 238 H C -1.364 173.963 175.328 -0.002 0.000 1.012 238 H CA -0.570 55.411 56.048 -0.111 0.000 1.213 238 H CB 1.074 30.892 29.762 0.094 0.000 1.431 238 H HN 0.587 nan 8.280 nan 0.000 0.492 239 N N 4.269 123.005 118.700 0.061 0.000 2.417 239 N HA 0.050 4.794 4.740 0.006 0.000 0.274 239 N C -1.526 173.937 175.510 -0.079 0.000 0.987 239 N CA -0.410 52.605 53.050 -0.059 0.000 0.912 239 N CB 1.106 39.584 38.487 -0.015 0.000 1.177 239 N HN 0.687 nan 8.380 nan 0.000 0.490 240 H N 1.874 120.784 119.070 -0.266 0.000 2.495 240 H HA 0.422 4.980 4.556 0.002 0.000 0.348 240 H C -1.272 173.987 175.328 -0.114 0.000 1.113 240 H CA -0.236 55.705 56.048 -0.179 0.000 1.195 240 H CB 1.539 31.168 29.762 -0.222 0.000 1.521 240 H HN 0.625 nan 8.280 nan 0.000 0.509 241 S N 4.589 119.967 115.700 -0.537 0.000 2.541 241 S HA 0.516 4.990 4.470 0.006 0.000 0.271 241 S C -0.939 173.410 174.600 -0.418 0.000 1.133 241 S CA -1.028 56.996 58.200 -0.293 0.000 0.876 241 S CB 2.140 65.236 63.200 -0.173 0.000 1.105 241 S HN 0.942 nan 8.310 nan 0.000 0.470 242 N N -0.123 118.483 118.700 -0.157 0.000 3.243 242 N HA 0.805 5.548 4.740 0.006 0.000 0.280 242 N C -0.362 175.109 175.510 -0.065 0.000 1.545 242 N CA -0.951 52.030 53.050 -0.115 0.000 0.854 242 N CB 1.221 39.704 38.487 -0.006 0.000 1.612 242 N HN 1.314 nan 8.380 nan 0.000 0.577 258 W N 1.438 122.732 121.300 -0.010 0.000 2.381 258 W HA 0.615 5.279 4.660 0.006 0.000 0.321 258 W C 0.604 177.059 176.519 -0.107 0.000 1.407 258 W CA -0.071 57.248 57.345 -0.043 0.000 1.274 258 W CB -0.144 29.298 29.460 -0.030 0.000 1.310 258 W HN 1.205 nan 8.180 nan 0.000 0.551 259 A N 2.594 125.313 122.820 -0.170 0.000 2.099 259 A HA 0.502 4.826 4.320 0.006 0.000 0.206 259 A C 1.520 178.892 177.584 -0.354 0.000 1.464 259 A CA 1.524 53.341 52.037 -0.367 0.000 0.603 259 A CB -0.704 18.110 19.000 -0.311 0.000 1.056 259 A HN 1.865 nan 8.150 nan 0.000 0.492 260 R N -1.654 118.666 120.500 -0.300 0.000 1.293 260 R HA -0.090 4.254 4.340 0.006 0.000 0.420 260 R C -0.896 175.200 176.300 -0.340 0.000 1.263 260 R CA 1.179 57.105 56.100 -0.290 0.000 0.763 260 R CB -1.885 28.310 30.300 -0.176 0.000 2.682 260 R HN 0.865 nan 8.270 nan 0.000 0.507 261 Q N 3.353 122.914 119.800 -0.399 0.000 2.275 261 Q HA 0.397 4.741 4.340 0.006 0.000 0.266 261 Q C -1.500 174.293 176.000 -0.344 0.000 1.002 261 Q CA -0.878 54.708 55.803 -0.363 0.000 0.761 261 Q CB 1.471 30.059 28.738 -0.250 0.000 1.255 261 Q HN 0.546 nan 8.270 nan 0.000 0.446 262 D N 2.687 122.914 120.400 -0.289 0.000 2.278 262 D HA 0.396 5.040 4.640 0.006 0.000 0.245 262 D C -1.008 175.260 176.300 -0.053 0.000 1.052 262 D CA -0.178 53.780 54.000 -0.070 0.000 0.834 262 D CB 2.203 43.049 40.800 0.076 0.000 1.194 262 D HN 0.402 nan 8.370 nan 0.000 0.481 263 T N 1.676 116.299 114.554 0.114 0.000 2.841 263 T HA 0.360 4.714 4.350 0.006 0.000 0.285 263 T C -0.447 174.364 174.700 0.186 0.000 0.991 263 T CA -0.683 61.511 62.100 0.156 0.000 0.966 263 T CB 2.251 71.201 68.868 0.136 0.000 0.962 263 T HN 0.283 nan 8.240 nan 0.000 0.438 264 E N 1.374 121.655 120.200 0.135 0.000 2.272 264 E HA 0.696 5.050 4.350 0.006 0.000 0.269 264 E C -1.595 175.025 176.600 0.033 0.000 0.877 264 E CA -0.880 55.532 56.400 0.020 0.000 0.755 264 E CB 1.572 31.265 29.700 -0.012 0.000 1.192 264 E HN 0.768 nan 8.360 nan 0.000 0.422 265 A N 2.791 125.543 122.820 -0.113 0.000 2.459 265 A HA 0.587 4.911 4.320 0.006 0.000 0.296 265 A C -1.032 176.490 177.584 -0.103 0.000 1.039 265 A CA -0.605 51.396 52.037 -0.060 0.000 0.698 265 A CB 1.966 20.945 19.000 -0.036 0.000 1.261 265 A HN 0.453 nan 8.150 nan 0.000 0.405 266 T N 2.038 116.589 114.554 -0.005 0.000 2.824 266 T HA 0.645 4.998 4.350 0.006 0.000 0.282 266 T C -0.385 174.237 174.700 -0.130 0.000 0.993 266 T CA -0.233 61.851 62.100 -0.027 0.000 0.967 266 T CB 1.492 70.380 68.868 0.033 0.000 0.960 266 T HN 0.566 nan 8.240 nan 0.000 0.441 267 T N 3.396 117.831 114.554 -0.199 0.000 2.786 267 T HA 0.471 4.825 4.350 0.006 0.000 0.283 267 T C -0.980 173.601 174.700 -0.199 0.000 0.992 267 T CA -0.512 61.505 62.100 -0.139 0.000 0.954 267 T CB 0.312 69.120 68.868 -0.099 0.000 0.934 267 T HN 0.411 nan 8.240 nan 0.000 0.440 268 Y N 2.638 123.016 120.300 0.131 0.000 2.320 268 Y HA 0.641 5.195 4.550 0.006 0.000 0.334 268 Y C -0.265 175.718 175.900 0.139 0.000 1.055 268 Y CA -1.173 57.019 58.100 0.153 0.000 1.143 268 Y CB 0.882 39.434 38.460 0.152 0.000 1.193 268 Y HN 0.641 nan 8.280 nan 0.000 0.477 269 F N 3.385 123.426 119.950 0.151 0.000 2.576 269 F HA 0.788 5.319 4.527 0.006 0.000 0.313 269 F C -1.767 174.112 175.800 0.130 0.000 1.078 269 F CA -1.115 56.937 58.000 0.086 0.000 0.921 269 F CB 1.565 40.611 39.000 0.077 0.000 1.232 269 F HN 0.291 nan 8.300 nan 0.000 0.459 270 V N 4.915 124.424 119.914 -0.674 0.000 2.852 270 V HA 0.516 4.640 4.120 0.006 0.000 0.300 270 V C -2.178 173.552 176.094 -0.607 0.000 1.205 270 V CA -0.284 61.800 62.300 -0.361 0.000 0.940 270 V CB 1.941 33.742 31.823 -0.036 0.000 1.047 270 V HN 0.917 nan 8.190 nan 0.000 0.429 271 D N 5.240 125.479 120.400 -0.269 0.000 2.732 271 D HA 0.598 5.242 4.640 0.006 0.000 0.229 271 D C -1.491 174.816 176.300 0.013 0.000 1.152 271 D CA -0.564 53.362 54.000 -0.123 0.000 0.854 271 D CB 2.217 43.011 40.800 -0.010 0.000 1.590 271 D HN 0.578 nan 8.370 nan 0.000 0.468 272 L N 0.595 121.837 121.223 0.031 0.000 2.385 272 L HA 0.700 5.044 4.340 0.006 0.000 0.273 272 L C -1.114 175.800 176.870 0.073 0.000 0.990 272 L CA 0.137 55.011 54.840 0.057 0.000 0.821 272 L CB 2.238 44.332 42.059 0.059 0.000 1.279 272 L HN 0.605 nan 8.230 nan 0.000 0.412 273 T N 3.145 117.743 114.554 0.073 0.000 2.861 273 T HA 0.519 4.873 4.350 0.006 0.000 0.287 273 T C -1.671 173.074 174.700 0.074 0.000 1.003 273 T CA -0.337 61.803 62.100 0.068 0.000 0.977 273 T CB 0.982 69.882 68.868 0.052 0.000 0.996 273 T HN 0.649 nan 8.240 nan 0.000 0.448 274 H N 1.443 120.464 119.070 -0.082 0.000 2.877 274 H HA 0.516 5.076 4.556 0.006 0.000 0.347 274 H C -0.730 174.438 175.328 -0.267 0.000 1.042 274 H CA -0.696 55.229 56.048 -0.204 0.000 1.276 274 H CB 1.048 30.620 29.762 -0.316 0.000 1.681 274 H HN 0.355 nan 8.280 nan 0.000 0.521 275 R N 5.482 125.525 120.500 -0.763 0.000 2.265 275 R HA 0.258 4.602 4.340 0.006 0.000 0.328 275 R C -0.925 174.981 176.300 -0.656 0.000 0.969 275 R CA -0.612 55.214 56.100 -0.457 0.000 0.832 275 R CB 0.280 30.455 30.300 -0.209 0.000 1.139 275 R HN 0.389 nan 8.270 nan 0.000 0.457 276 F N 0.805 120.706 119.950 -0.082 0.000 2.444 276 F HA 0.030 4.561 4.527 0.006 0.000 0.331 276 F C 2.183 177.979 175.800 -0.007 0.000 1.167 276 F CA 0.133 58.139 58.000 0.009 0.000 1.262 276 F CB 0.834 39.882 39.000 0.080 0.000 1.196 276 F HN 0.559 nan 8.300 nan 0.000 0.583 277 T N -2.986 111.680 114.554 0.186 0.000 3.025 277 T HA -0.192 4.162 4.350 0.006 0.000 0.270 277 T C 0.939 175.699 174.700 0.099 0.000 1.126 277 T CA 1.278 63.437 62.100 0.099 0.000 1.105 277 T CB -1.025 67.884 68.868 0.068 0.000 0.884 277 T HN 0.755 nan 8.240 nan 0.000 0.522 278 N N 0.766 119.535 118.700 0.115 0.000 2.398 278 N HA -0.004 4.740 4.740 0.006 0.000 0.188 278 N C -0.253 175.430 175.510 0.288 0.000 1.122 278 N CA 0.257 53.379 53.050 0.121 0.000 0.866 278 N CB -0.049 38.395 38.487 -0.073 0.000 0.970 278 N HN 0.145 nan 8.380 nan 0.000 0.462 279 D N -1.197 119.366 120.400 0.273 0.000 3.028 279 D HA -0.131 4.512 4.640 0.006 0.000 0.207 279 D C -0.990 175.565 176.300 0.424 0.000 1.100 279 D CA 0.795 54.961 54.000 0.277 0.000 0.995 279 D CB -1.287 39.639 40.800 0.210 0.000 1.108 279 D HN 0.397 nan 8.370 nan 0.000 0.421 280 W N 1.971 123.399 121.300 0.212 0.000 2.181 280 W HA 0.312 4.976 4.660 0.006 0.000 0.335 280 W C 1.267 177.981 176.519 0.326 0.000 1.310 280 W CA 0.098 57.602 57.345 0.265 0.000 1.226 280 W CB 0.310 29.918 29.460 0.246 0.000 1.155 280 W HN -0.228 nan 8.180 nan 0.000 0.565 281 K N 3.374 124.028 120.400 0.422 0.000 2.345 281 K HA 0.532 4.856 4.320 0.006 0.000 0.255 281 K C -1.135 175.630 176.600 0.276 0.000 0.934 281 K CA -1.156 55.281 56.287 0.249 0.000 0.801 281 K CB 2.245 34.823 32.500 0.130 0.000 1.137 281 K HN 0.313 nan 8.250 nan 0.000 0.424 282 L N 2.887 124.249 121.223 0.231 0.000 2.295 282 L HA 0.467 4.811 4.340 0.006 0.000 0.285 282 L C -0.433 176.526 176.870 0.149 0.000 1.035 282 L CA -0.583 54.396 54.840 0.233 0.000 0.806 282 L CB 1.165 43.390 42.059 0.278 0.000 1.214 282 L HN 0.538 nan 8.230 nan 0.000 0.426 283 R N 3.714 124.297 120.500 0.138 0.000 2.561 283 R HA 0.799 5.143 4.340 0.006 0.000 0.297 283 R C -1.625 174.744 176.300 0.114 0.000 0.969 283 R CA -0.521 55.634 56.100 0.090 0.000 0.879 283 R CB 1.910 32.226 30.300 0.027 0.000 1.178 283 R HN 0.652 nan 8.270 nan 0.000 0.445 284 A N 2.789 125.673 122.820 0.106 0.000 2.343 284 A HA 0.809 5.132 4.320 0.006 0.000 0.308 284 A C -1.349 176.200 177.584 -0.060 0.000 1.092 284 A CA -0.507 51.578 52.037 0.081 0.000 0.751 284 A CB 1.689 20.853 19.000 0.273 0.000 1.203 284 A HN 0.793 nan 8.150 nan 0.000 0.452 285 A N 1.644 124.366 122.820 -0.163 0.000 2.393 285 A HA 0.773 5.097 4.320 0.006 0.000 0.306 285 A C -1.476 176.035 177.584 -0.122 0.000 1.050 285 A CA -0.441 51.493 52.037 -0.171 0.000 0.724 285 A CB 1.128 20.101 19.000 -0.045 0.000 1.248 285 A HN 1.607 nan 8.150 nan 0.000 0.424 286 Y N 1.249 121.340 120.300 -0.349 0.000 2.492 286 Y HA 0.707 5.261 4.550 0.007 0.000 0.346 286 Y C -0.487 175.312 175.900 -0.167 0.000 0.997 286 Y CA -0.656 57.331 58.100 -0.188 0.000 1.025 286 Y CB 2.170 40.564 38.460 -0.110 0.000 1.263 286 Y HN 0.786 nan 8.280 nan 0.000 0.454 287 S N 3.712 119.007 115.700 -0.675 0.000 2.541 287 S HA 0.517 4.991 4.470 0.006 0.000 0.280 287 S C -2.378 171.848 174.600 -0.624 0.000 1.112 287 S CA -0.431 57.495 58.200 -0.455 0.000 0.925 287 S CB 0.712 63.925 63.200 0.021 0.000 1.067 287 S HN 0.858 nan 8.310 nan 0.000 0.479 288 H N 1.344 120.169 119.070 -0.409 0.000 2.782 288 H HA 0.616 5.176 4.556 0.006 0.000 0.347 288 H C -1.118 174.241 175.328 0.050 0.000 1.038 288 H CA -0.086 55.860 56.048 -0.170 0.000 1.255 288 H CB 1.672 31.393 29.762 -0.069 0.000 1.623 288 H HN 0.515 nan 8.280 nan 0.000 0.525 289 T N 5.031 119.285 114.554 -0.501 0.000 2.824 289 T HA 0.298 4.651 4.350 0.006 0.000 0.282 289 T C -1.200 173.350 174.700 -0.250 0.000 0.993 289 T CA -0.914 61.036 62.100 -0.249 0.000 0.967 289 T CB 0.954 69.718 68.868 -0.174 0.000 0.960 289 T HN 0.525 nan 8.240 nan 0.000 0.441 290 D N 1.438 121.812 120.400 -0.044 0.000 2.278 290 D HA 0.610 5.253 4.640 0.006 0.000 0.245 290 D C 0.031 176.321 176.300 -0.017 0.000 1.052 290 D CA -0.329 53.682 54.000 0.019 0.000 0.834 290 D CB 1.740 42.644 40.800 0.174 0.000 1.194 290 D HN 0.691 nan 8.370 nan 0.000 0.481 291 G N 0.784 109.532 108.800 -0.087 0.000 2.571 291 G HA2 0.626 4.590 3.960 0.006 0.000 0.304 291 G HA3 0.626 4.590 3.960 0.006 0.000 0.304 291 G C -0.925 174.028 174.900 0.087 0.000 1.314 291 G CA -0.746 44.311 45.100 -0.072 0.000 0.975 291 G HN 0.198 nan 8.290 nan 0.000 0.485 292 R N 0.705 121.387 120.500 0.304 0.000 2.538 292 R HA 0.405 4.748 4.340 0.006 0.000 0.292 292 R C -2.181 174.351 176.300 0.387 0.000 1.008 292 R CA -0.764 55.527 56.100 0.318 0.000 0.896 292 R CB 2.043 32.441 30.300 0.164 0.000 1.187 292 R HN 0.629 nan 8.270 nan 0.000 0.440 293 Y N 3.967 124.397 120.300 0.217 0.000 2.485 293 Y HA 0.650 5.205 4.550 0.008 0.000 0.345 293 Y C -1.585 174.334 175.900 0.030 0.000 0.998 293 Y CA -1.034 57.070 58.100 0.006 0.000 1.059 293 Y CB 1.574 39.870 38.460 -0.274 0.000 1.234 293 Y HN 0.490 nan 8.280 nan 0.000 0.461 294 L N 7.302 128.016 121.223 -0.848 0.000 2.661 294 L HA 0.517 4.861 4.340 0.006 0.000 0.263 294 L C -1.971 174.514 176.870 -0.642 0.000 0.956 294 L CA -0.478 54.062 54.840 -0.502 0.000 0.918 294 L CB 1.693 43.629 42.059 -0.204 0.000 1.280 294 L HN 0.822 nan 8.230 nan 0.000 0.416 295 M N 4.391 123.742 119.600 -0.415 0.000 2.259 295 M HA 0.681 5.164 4.480 0.006 0.000 0.304 295 M C -1.467 174.811 176.300 -0.036 0.000 1.019 295 M CA -0.084 55.054 55.300 -0.270 0.000 0.922 295 M CB 1.569 34.044 32.600 -0.208 0.000 1.600 295 M HN 0.444 nan 8.290 nan 0.000 0.433 296 K N 2.419 122.744 120.400 -0.125 0.000 2.208 296 K HA 0.637 4.960 4.320 0.006 0.000 0.247 296 K C -1.383 175.104 176.600 -0.188 0.000 0.953 296 K CA -0.543 55.711 56.287 -0.054 0.000 0.837 296 K CB 1.286 33.742 32.500 -0.074 0.000 1.131 296 K HN 0.686 nan 8.250 nan 0.000 0.431 297 H N 0.858 119.934 119.070 0.010 0.000 2.806 297 H HA 0.478 5.038 4.556 0.006 0.000 0.367 297 H C 0.102 175.433 175.328 0.004 0.000 1.136 297 H CA -0.131 55.916 56.048 -0.000 0.000 1.178 297 H CB 1.429 31.198 29.762 0.012 0.000 1.718 297 H HN 0.568 nan 8.280 nan 0.000 0.540 302 S N 0.672 116.441 115.700 0.115 0.000 2.538 302 S HA 0.672 5.146 4.470 0.006 0.000 0.288 302 S C -0.923 173.802 174.600 0.209 0.000 1.108 302 S CA -0.506 57.783 58.200 0.149 0.000 0.971 302 S CB 1.463 64.767 63.200 0.174 0.000 1.041 302 S HN 0.728 nan 8.310 nan 0.000 0.483 303 N N 1.273 120.070 118.700 0.161 0.000 2.371 303 N HA 0.507 5.251 4.740 0.006 0.000 0.291 303 N C -2.271 173.310 175.510 0.119 0.000 1.053 303 N CA -0.146 52.997 53.050 0.154 0.000 0.870 303 N CB 1.282 39.800 38.487 0.052 0.000 1.503 303 N HN 0.518 nan 8.380 nan 0.000 0.485 304 Y N 1.001 121.320 120.300 0.032 0.000 2.331 304 Y HA 0.323 4.876 4.550 0.005 0.000 0.334 304 Y C -0.175 175.747 175.900 0.037 0.000 0.960 304 Y CA -0.793 57.347 58.100 0.067 0.000 1.130 304 Y CB 1.508 40.069 38.460 0.168 0.000 1.164 304 Y HN 0.339 nan 8.280 nan 0.000 0.458 305 D N 2.623 123.116 120.400 0.156 0.000 2.505 305 D HA 0.444 5.088 4.640 0.006 0.000 0.250 305 D C -0.705 175.698 176.300 0.172 0.000 1.164 305 D CA -0.190 53.885 54.000 0.124 0.000 0.870 305 D CB 1.517 42.350 40.800 0.056 0.000 1.160 305 D HN 0.803 nan 8.370 nan 0.000 0.549 306 G N 2.582 111.543 108.800 0.269 0.000 2.495 306 G HA2 0.551 4.515 3.960 0.006 0.000 0.318 306 G HA3 0.551 4.515 3.960 0.006 0.000 0.318 306 G C -0.816 174.273 174.900 0.315 0.000 1.257 306 G CA -0.690 44.586 45.100 0.293 0.000 0.962 306 G HN 0.490 nan 8.290 nan 0.000 0.483 307 N N -0.336 118.474 118.700 0.183 0.000 2.272 307 N HA 0.635 5.379 4.740 0.006 0.000 0.305 307 N C -1.337 174.094 175.510 -0.132 0.000 1.103 307 N CA -0.648 52.448 53.050 0.077 0.000 0.791 307 N CB 2.947 41.460 38.487 0.043 0.000 1.356 307 N HN 0.454 nan 8.380 nan 0.000 0.486 308 L N 1.525 122.557 121.223 -0.318 0.000 2.386 308 L HA 0.586 4.930 4.340 0.006 0.000 0.271 308 L C -1.638 175.109 176.870 -0.205 0.000 0.993 308 L CA -0.407 54.155 54.840 -0.462 0.000 0.819 308 L CB 1.472 42.861 42.059 -1.117 0.000 1.294 308 L HN 0.647 nan 8.230 nan 0.000 0.414 309 D N 4.105 124.463 120.400 -0.070 0.000 2.879 309 D HA 0.410 5.054 4.640 0.006 0.000 0.236 309 D C -1.296 174.995 176.300 -0.014 0.000 1.171 309 D CA -0.764 53.226 54.000 -0.017 0.000 0.868 309 D CB 2.505 43.386 40.800 0.135 0.000 1.598 309 D HN 0.621 nan 8.370 nan 0.000 0.497 310 R N 1.938 122.340 120.500 -0.164 0.000 2.533 310 R HA 0.301 4.645 4.340 0.006 0.000 0.288 310 R C -1.874 174.331 176.300 -0.159 0.000 1.039 310 R CA -0.548 55.482 56.100 -0.116 0.000 0.909 310 R CB 1.896 32.130 30.300 -0.110 0.000 1.195 310 R HN 0.451 nan 8.270 nan 0.000 0.438 311 D N 3.354 123.759 120.400 0.009 0.000 2.375 311 D HA 0.279 4.923 4.640 0.006 0.000 0.247 311 D C -1.196 175.154 176.300 0.084 0.000 1.061 311 D CA -0.529 53.542 54.000 0.118 0.000 0.834 311 D CB 2.424 43.443 40.800 0.365 0.000 1.247 311 D HN 0.411 nan 8.370 nan 0.000 0.489 312 D N 1.433 121.864 120.400 0.052 0.000 2.505 312 D HA 0.536 5.180 4.640 0.006 0.000 0.249 312 D C -0.243 176.145 176.300 0.145 0.000 1.082 312 D CA -0.272 53.764 54.000 0.059 0.000 0.839 312 D CB 2.180 42.999 40.800 0.031 0.000 1.317 312 D HN 0.248 nan 8.370 nan 0.000 0.497 313 I N 1.463 122.108 120.570 0.125 0.000 2.647 313 I HA 0.397 4.570 4.170 0.006 0.000 0.295 313 I C -1.072 175.079 176.117 0.056 0.000 1.078 313 I CA -0.850 60.517 61.300 0.112 0.000 1.048 313 I CB 2.318 40.455 38.000 0.229 0.000 1.239 313 I HN 0.256 nan 8.210 nan 0.000 0.421 314 H N 5.479 124.430 119.070 -0.198 0.000 3.083 314 H HA 0.542 5.102 4.556 0.006 0.000 0.339 314 H C -2.093 173.106 175.328 -0.214 0.000 1.020 314 H CA -1.144 54.858 56.048 -0.077 0.000 1.360 314 H CB 1.179 30.961 29.762 0.032 0.000 1.811 314 H HN 0.328 nan 8.280 nan 0.000 0.493 315 F N 2.941 123.166 119.950 0.458 0.000 2.520 315 F HA 0.563 5.094 4.527 0.007 0.000 0.322 315 F C 0.149 176.024 175.800 0.126 0.000 1.103 315 F CA -0.588 57.531 58.000 0.199 0.000 0.926 315 F CB 2.232 41.364 39.000 0.221 0.000 1.154 315 F HN 0.545 nan 8.300 nan 0.000 0.453 316 S N 2.782 118.603 115.700 0.201 0.000 2.564 316 S HA 0.814 5.288 4.470 0.006 0.000 0.274 316 S C -1.797 172.904 174.600 0.168 0.000 1.124 316 S CA -0.814 57.486 58.200 0.167 0.000 0.869 316 S CB 2.185 65.478 63.200 0.155 0.000 1.105 316 S HN 0.581 nan 8.310 nan 0.000 0.472 317 L N 2.564 123.874 121.223 0.145 0.000 2.343 317 L HA 0.783 5.126 4.340 0.006 0.000 0.278 317 L C -0.413 176.508 176.870 0.084 0.000 0.996 317 L CA 0.082 55.013 54.840 0.151 0.000 0.831 317 L CB 1.668 43.816 42.059 0.149 0.000 1.232 317 L HN 1.054 nan 8.230 nan 0.000 0.413 318 S N 3.535 119.282 115.700 0.079 0.000 2.600 318 S HA 1.016 5.490 4.470 0.006 0.000 0.300 318 S C -0.646 173.879 174.600 -0.124 0.000 1.087 318 S CA -0.266 57.929 58.200 -0.009 0.000 0.965 318 S CB 2.058 65.280 63.200 0.036 0.000 1.089 318 S HN 1.231 nan 8.310 nan 0.000 0.496 319 A N 2.041 124.711 122.820 -0.250 0.000 2.485 319 A HA 0.745 5.069 4.320 0.006 0.000 0.285 319 A C -3.243 174.278 177.584 -0.105 0.000 1.045 319 A CA -1.341 50.390 52.037 -0.510 0.000 0.792 319 A CB 1.301 19.418 19.000 -1.471 0.000 1.307 319 A HN 0.631 nan 8.150 nan 0.000 0.406 320 P HA 0.743 nan 4.420 nan 0.000 0.282 320 P C -1.004 176.494 177.300 0.331 0.000 1.249 320 P CA -0.088 63.092 63.100 0.133 0.000 0.806 320 P CB 0.801 32.556 31.700 0.092 0.000 0.984 321 F N -1.920 118.095 119.950 0.108 0.000 2.741 321 F HA 0.606 5.137 4.527 0.006 0.000 0.311 321 F C -1.383 174.540 175.800 0.205 0.000 1.149 321 F CA -1.354 56.746 58.000 0.167 0.000 0.930 321 F CB 1.306 40.414 39.000 0.181 0.000 1.312 321 F HN 0.290 nan 8.300 nan 0.000 0.450 322 E N 1.420 121.796 120.200 0.294 0.000 2.183 322 E HA 0.783 5.137 4.350 0.006 0.000 0.271 322 E C -1.626 175.176 176.600 0.336 0.000 0.919 322 E CA -1.125 55.387 56.400 0.188 0.000 0.781 322 E CB 1.894 31.660 29.700 0.110 0.000 1.140 322 E HN 1.138 nan 8.360 nan 0.000 0.402 323 A N 3.290 126.322 122.820 0.353 0.000 2.488 323 A HA 0.482 4.806 4.320 0.006 0.000 0.295 323 A C -0.728 176.964 177.584 0.179 0.000 1.045 323 A CA -0.644 51.452 52.037 0.098 0.000 0.703 323 A CB 0.196 19.229 19.000 0.055 0.000 1.271 323 A HN 0.815 nan 8.150 nan 0.000 0.400 324 F N 0.839 120.904 119.950 0.192 0.000 3.057 324 F HA -0.221 4.310 4.527 0.006 0.000 0.287 324 F C 1.675 177.547 175.800 0.121 0.000 0.834 324 F CA 1.448 59.532 58.000 0.139 0.000 1.147 324 F CB -1.382 37.693 39.000 0.126 0.000 1.245 324 F HN 2.214 nan 8.300 nan 0.000 0.509 325 G N -0.702 108.207 108.800 0.181 0.000 2.179 325 G HA2 -0.299 3.665 3.960 0.006 0.000 0.260 325 G HA3 -0.299 3.665 3.960 0.006 0.000 0.260 325 G C 0.015 174.963 174.900 0.079 0.000 0.977 325 G CA 0.278 45.448 45.100 0.117 0.000 0.641 325 G HN 0.529 nan 8.290 nan 0.000 0.533 326 L N -0.555 120.721 121.223 0.089 0.000 2.303 326 L HA 0.708 5.052 4.340 0.006 0.000 0.266 326 L C 0.765 177.383 176.870 -0.421 0.000 1.011 326 L CA -1.294 53.486 54.840 -0.102 0.000 0.818 326 L CB 1.540 43.569 42.059 -0.050 0.000 1.326 326 L HN 0.005 nan 8.230 nan 0.000 0.435 327 R N 1.003 121.212 120.500 -0.485 0.000 2.312 327 R HA 0.508 4.852 4.340 0.006 0.000 0.311 327 R C -1.101 174.753 176.300 -0.743 0.000 1.004 327 R CA -0.641 55.157 56.100 -0.504 0.000 0.902 327 R CB 1.010 31.187 30.300 -0.206 0.000 1.073 327 R HN 0.547 nan 8.270 nan 0.000 0.457 328 H N 1.080 119.925 119.070 -0.374 0.000 2.949 328 H HA 0.377 4.936 4.556 0.006 0.000 0.356 328 H C -0.578 174.427 175.328 -0.538 0.000 1.212 328 H CA -0.925 54.809 56.048 -0.523 0.000 1.136 328 H CB 2.517 31.774 29.762 -0.841 0.000 1.869 328 H HN 0.678 nan 8.280 nan 0.000 0.556 329 E N -0.013 120.032 120.200 -0.258 0.000 2.392 329 E HA 0.605 4.959 4.350 0.006 0.000 0.279 329 E C -1.808 174.749 176.600 -0.072 0.000 0.964 329 E CA -0.920 55.431 56.400 -0.081 0.000 0.777 329 E CB 2.760 32.408 29.700 -0.087 0.000 1.249 329 E HN 0.202 nan 8.360 nan 0.000 0.449 330 V N 0.485 120.430 119.914 0.052 0.000 2.841 330 V HA 0.847 4.970 4.120 0.006 0.000 0.310 330 V C -1.355 174.741 176.094 0.002 0.000 1.090 330 V CA -0.179 62.142 62.300 0.037 0.000 0.930 330 V CB 1.834 33.747 31.823 0.150 0.000 1.014 330 V HN 0.969 nan 8.190 nan 0.000 0.425 331 A N 5.588 128.442 122.820 0.056 0.000 2.414 331 A HA 0.941 5.265 4.320 0.006 0.000 0.306 331 A C -1.963 175.713 177.584 0.153 0.000 1.054 331 A CA -0.487 51.617 52.037 0.112 0.000 0.724 331 A CB 1.622 20.733 19.000 0.185 0.000 1.267 331 A HN 0.644 nan 8.150 nan 0.000 0.418 332 L N 1.160 122.425 121.223 0.070 0.000 2.362 332 L HA 0.893 5.237 4.340 0.006 0.000 0.271 332 L C 0.592 177.323 176.870 -0.232 0.000 1.002 332 L CA 0.041 54.848 54.840 -0.055 0.000 0.818 332 L CB 1.943 43.999 42.059 -0.004 0.000 1.298 332 L HN 1.073 nan 8.230 nan 0.000 0.420 333 G N 0.420 108.771 108.800 -0.749 0.000 2.660 333 G HA2 0.555 4.518 3.960 0.006 0.000 0.290 333 G HA3 0.555 4.518 3.960 0.006 0.000 0.290 333 G C -2.735 171.964 174.900 -0.335 0.000 1.432 333 G CA -0.513 44.169 45.100 -0.696 0.000 0.807 333 G HN 0.488 nan 8.290 nan 0.000 0.485 334 W N 1.354 122.678 121.300 0.039 0.000 3.274 334 W HA 0.734 5.398 4.660 0.007 0.000 0.327 334 W C -0.755 175.946 176.519 0.303 0.000 1.172 334 W CA -0.914 56.543 57.345 0.187 0.000 1.217 334 W CB 1.877 31.479 29.460 0.236 0.000 1.376 334 W HN 0.700 nan 8.180 nan 0.000 0.507 335 M N 4.186 123.480 119.600 -0.510 0.000 2.531 335 M HA 0.715 5.198 4.480 0.006 0.000 0.286 335 M C -1.066 174.623 176.300 -1.018 0.000 1.232 335 M CA -1.008 53.958 55.300 -0.556 0.000 0.877 335 M CB 2.119 34.505 32.600 -0.357 0.000 1.726 335 M HN 0.216 nan 8.290 nan 0.000 0.463 336 S N 1.630 116.934 115.700 -0.660 0.000 2.538 336 S HA 0.841 5.315 4.470 0.006 0.000 0.288 336 S C -1.485 173.009 174.600 -0.177 0.000 1.108 336 S CA -0.626 57.301 58.200 -0.455 0.000 0.971 336 S CB 1.196 64.228 63.200 -0.280 0.000 1.041 336 S HN 0.720 nan 8.310 nan 0.000 0.483 337 I N 3.585 124.069 120.570 -0.144 0.000 2.468 337 I HA 0.421 4.595 4.170 0.006 0.000 0.285 337 I C -1.310 174.737 176.117 -0.116 0.000 1.039 337 I CA -0.495 60.737 61.300 -0.112 0.000 1.074 337 I CB 2.043 39.963 38.000 -0.134 0.000 1.228 337 I HN 0.501 nan 8.210 nan 0.000 0.436 338 D N 5.531 125.884 120.400 -0.079 0.000 2.542 338 D HA 0.372 5.016 4.640 0.006 0.000 0.252 338 D C -1.157 175.106 176.300 -0.061 0.000 1.222 338 D CA -0.448 53.514 54.000 -0.063 0.000 0.895 338 D CB 1.227 42.038 40.800 0.018 0.000 1.207 338 D HN 0.410 nan 8.370 nan 0.000 0.558 339 N N 1.817 120.448 118.700 -0.115 0.000 2.354 339 N HA 0.289 5.033 4.740 0.006 0.000 0.287 339 N C -1.277 174.345 175.510 0.187 0.000 1.016 339 N CA -0.610 52.389 53.050 -0.086 0.000 0.871 339 N CB 1.524 39.680 38.487 -0.552 0.000 1.299 339 N HN 0.341 nan 8.380 nan 0.000 0.482 340 H N 1.139 120.321 119.070 0.186 0.000 2.823 340 H HA 0.458 5.018 4.556 0.007 0.000 0.332 340 H C -1.499 173.940 175.328 0.185 0.000 0.980 340 H CA -0.547 55.616 56.048 0.191 0.000 1.286 340 H CB 0.917 30.729 29.762 0.083 0.000 1.541 340 H HN 0.609 nan 8.280 nan 0.000 0.521 341 S N 4.647 120.213 115.700 -0.222 0.000 2.536 341 S HA 0.388 4.862 4.470 0.006 0.000 0.287 341 S C -1.249 173.092 174.600 -0.431 0.000 1.101 341 S CA -0.929 57.038 58.200 -0.388 0.000 0.950 341 S CB 2.683 65.656 63.200 -0.379 0.000 1.056 341 S HN 0.738 nan 8.310 nan 0.000 0.481 342 D N 1.674 121.879 120.400 -0.325 0.000 2.819 342 D HA 0.551 5.195 4.640 0.006 0.000 0.232 342 D C -0.819 175.450 176.300 -0.052 0.000 1.160 342 D CA -0.588 53.309 54.000 -0.173 0.000 0.858 342 D CB 1.467 42.188 40.800 -0.132 0.000 1.610 342 D HN 0.621 nan 8.370 nan 0.000 0.481 343 I N 0.286 120.841 120.570 -0.026 0.000 2.582 343 I HA 0.320 4.494 4.170 0.006 0.000 0.292 343 I C -0.639 175.474 176.117 -0.007 0.000 1.066 343 I CA -0.805 60.505 61.300 0.016 0.000 1.053 343 I CB 2.479 40.493 38.000 0.023 0.000 1.241 343 I HN 0.333 nan 8.210 nan 0.000 0.421 344 Q N 5.657 125.449 119.800 -0.015 0.000 2.340 344 Q HA 0.586 4.930 4.340 0.006 0.000 0.268 344 Q C -1.367 174.549 176.000 -0.139 0.000 1.031 344 Q CA -0.767 55.000 55.803 -0.060 0.000 0.804 344 Q CB 2.103 30.820 28.738 -0.034 0.000 1.286 344 Q HN 0.588 nan 8.270 nan 0.000 0.448 345 R N 1.793 122.161 120.500 -0.220 0.000 2.494 345 R HA 0.642 4.986 4.340 0.006 0.000 0.305 345 R C -1.219 174.935 176.300 -0.243 0.000 0.959 345 R CA -0.206 55.665 56.100 -0.380 0.000 0.864 345 R CB 1.536 31.496 30.300 -0.566 0.000 1.159 345 R HN 0.619 nan 8.270 nan 0.000 0.446 346 Y N -0.221 119.961 120.300 -0.198 0.000 2.406 346 Y HA 0.820 5.374 4.550 0.006 0.000 0.340 346 Y C -1.054 174.798 175.900 -0.079 0.000 0.975 346 Y CA -1.314 56.716 58.100 -0.117 0.000 1.056 346 Y CB 2.190 40.606 38.460 -0.074 0.000 1.210 346 Y HN 0.850 nan 8.280 nan 0.000 0.448 347 A N 2.196 124.976 122.820 -0.065 0.000 2.442 347 A HA 1.004 5.328 4.320 0.006 0.000 0.284 347 A C -0.298 177.270 177.584 -0.028 0.000 1.058 347 A CA 0.191 52.207 52.037 -0.033 0.000 0.738 347 A CB 0.139 19.117 19.000 -0.036 0.000 1.242 347 A HN 2.749 nan 8.150 nan 0.000 0.421 365 L N 1.354 122.577 121.223 0.000 0.000 2.477 365 L HA 0.670 5.014 4.340 0.006 0.000 0.220 365 L C 1.277 178.134 176.870 -0.022 0.000 1.106 365 L CA 1.144 55.979 54.840 -0.008 0.000 0.851 365 L CB -0.914 41.145 42.059 0.001 0.000 0.994 365 L HN 0.409 nan 8.230 nan 0.000 0.462 366 S N 0.321 116.020 115.700 -0.002 0.000 2.549 366 S HA 0.298 4.771 4.470 0.006 0.000 0.283 366 S C -0.726 173.844 174.600 -0.050 0.000 1.320 366 S CA -0.402 57.815 58.200 0.029 0.000 1.058 366 S CB 0.869 64.139 63.200 0.117 0.000 0.882 366 S HN 0.456 nan 8.310 nan 0.000 0.498 367 P HA 0.167 nan 4.420 nan 0.000 0.229 367 P C -0.246 176.993 177.300 -0.101 0.000 1.160 367 P CA 0.467 63.462 63.100 -0.174 0.000 0.777 367 P CB 0.052 31.565 31.700 -0.312 0.000 0.814 368 A N 0.047 122.863 122.820 -0.007 0.000 2.512 368 A HA 0.526 4.850 4.320 0.006 0.000 0.294 368 A C -1.775 175.865 177.584 0.093 0.000 1.054 368 A CA -0.636 51.417 52.037 0.026 0.000 0.756 368 A CB 0.982 19.992 19.000 0.018 0.000 1.293 368 A HN -0.181 nan 8.150 nan 0.000 0.395 369 D N 1.469 121.901 120.400 0.054 0.000 2.481 369 D HA 0.584 5.228 4.640 0.006 0.000 0.244 369 D C -1.363 174.879 176.300 -0.096 0.000 1.057 369 D CA 0.073 54.072 54.000 -0.001 0.000 0.848 369 D CB 2.254 43.128 40.800 0.124 0.000 1.388 369 D HN 0.478 nan 8.370 nan 0.000 0.475 370 D N 1.493 121.780 120.400 -0.188 0.000 2.575 370 D HA 0.313 4.957 4.640 0.006 0.000 0.250 370 D C -1.436 174.789 176.300 -0.124 0.000 1.279 370 D CA -0.474 53.461 54.000 -0.110 0.000 0.925 370 D CB 1.722 42.518 40.800 -0.008 0.000 1.261 370 D HN 0.000 nan 8.370 nan 0.000 0.567 371 V N 4.661 124.537 119.914 -0.063 0.000 2.448 371 V HA 0.514 4.637 4.120 0.006 0.000 0.295 371 V C 0.204 176.437 176.094 0.231 0.000 1.025 371 V CA -0.733 61.593 62.300 0.043 0.000 0.859 371 V CB 1.837 33.681 31.823 0.035 0.000 0.988 371 V HN 0.402 nan 8.190 nan 0.000 0.431 372 R N 2.618 123.225 120.500 0.177 0.000 2.451 372 R HA 0.576 4.919 4.340 0.006 0.000 0.307 372 R C -1.106 175.183 176.300 -0.019 0.000 0.965 372 R CA -0.257 55.936 56.100 0.154 0.000 0.865 372 R CB 1.955 32.303 30.300 0.080 0.000 1.174 372 R HN 0.749 nan 8.270 nan 0.000 0.455 373 T N 4.057 118.559 114.554 -0.086 0.000 2.809 373 T HA 0.353 4.707 4.350 0.006 0.000 0.284 373 T C -0.540 173.931 174.700 -0.382 0.000 0.992 373 T CA -0.548 61.325 62.100 -0.378 0.000 0.957 373 T CB 1.726 70.345 68.868 -0.415 0.000 0.942 373 T HN 0.301 nan 8.240 nan 0.000 0.439 374 K N 2.871 123.002 120.400 -0.448 0.000 2.345 374 K HA 0.543 4.866 4.320 0.006 0.000 0.255 374 K C -1.192 175.219 176.600 -0.315 0.000 0.934 374 K CA -0.636 55.479 56.287 -0.287 0.000 0.801 374 K CB 1.769 34.171 32.500 -0.163 0.000 1.137 374 K HN 0.584 nan 8.250 nan 0.000 0.424 375 Q N 1.905 121.595 119.800 -0.183 0.000 2.345 375 Q HA 0.366 4.710 4.340 0.006 0.000 0.275 375 Q C -1.656 174.301 176.000 -0.072 0.000 1.063 375 Q CA -0.707 55.054 55.803 -0.069 0.000 0.819 375 Q CB 2.360 31.095 28.738 -0.005 0.000 1.356 375 Q HN 0.812 nan 8.270 nan 0.000 0.418 376 T N -1.002 113.537 114.554 -0.026 0.000 2.900 376 T HA 0.886 5.240 4.350 0.006 0.000 0.295 376 T C -0.396 174.249 174.700 -0.093 0.000 1.044 376 T CA -0.683 61.309 62.100 -0.180 0.000 0.995 376 T CB 1.820 70.651 68.868 -0.062 0.000 1.072 376 T HN 0.617 nan 8.240 nan 0.000 0.473 377 G N 0.084 108.741 108.800 -0.239 0.000 2.701 377 G HA2 0.718 4.682 3.960 0.006 0.000 0.300 377 G HA3 0.718 4.682 3.960 0.006 0.000 0.300 377 G C -1.012 173.898 174.900 0.016 0.000 1.410 377 G CA -0.746 44.347 45.100 -0.011 0.000 1.014 377 G HN 1.099 nan 8.290 nan 0.000 0.509 378 A N 1.536 124.513 122.820 0.262 0.000 2.304 378 A HA 0.857 5.181 4.320 0.006 0.000 0.323 378 A C -0.853 176.980 177.584 0.416 0.000 1.195 378 A CA -0.736 51.510 52.037 0.348 0.000 0.826 378 A CB 0.557 19.816 19.000 0.431 0.000 1.184 378 A HN 1.484 nan 8.150 nan 0.000 0.496 379 Y N 0.310 120.795 120.300 0.308 0.000 2.545 379 Y HA 0.779 5.333 4.550 0.006 0.000 0.348 379 Y C -1.236 174.819 175.900 0.258 0.000 1.002 379 Y CA -1.537 56.709 58.100 0.243 0.000 1.039 379 Y CB 1.548 40.068 38.460 0.099 0.000 1.271 379 Y HN 0.637 nan 8.280 nan 0.000 0.467 380 L N 3.957 125.428 121.223 0.414 0.000 2.385 380 L HA 0.859 5.203 4.340 0.006 0.000 0.273 380 L C -1.738 175.315 176.870 0.304 0.000 0.990 380 L CA -0.867 54.173 54.840 0.334 0.000 0.821 380 L CB 1.782 44.035 42.059 0.323 0.000 1.279 380 L HN 0.723 nan 8.230 nan 0.000 0.412 381 V N 3.639 123.704 119.914 0.252 0.000 2.588 381 V HA 0.830 4.954 4.120 0.006 0.000 0.304 381 V C 0.218 176.334 176.094 0.038 0.000 1.042 381 V CA -0.390 61.974 62.300 0.107 0.000 0.877 381 V CB 1.518 33.346 31.823 0.009 0.000 0.996 381 V HN 0.867 nan 8.190 nan 0.000 0.425 382 G N 2.788 111.567 108.800 -0.035 0.000 2.542 382 G HA2 0.713 4.677 3.960 0.006 0.000 0.311 382 G HA3 0.713 4.677 3.960 0.006 0.000 0.311 382 G C -1.195 173.369 174.900 -0.560 0.000 1.298 382 G CA -0.881 43.979 45.100 -0.400 0.000 0.973 382 G HN 0.668 nan 8.290 nan 0.000 0.487 383 R N 1.484 121.559 120.500 -0.710 0.000 2.388 383 R HA 0.569 4.913 4.340 0.006 0.000 0.314 383 R C -1.523 174.513 176.300 -0.440 0.000 0.959 383 R CA -0.590 55.263 56.100 -0.412 0.000 0.851 383 R CB 0.697 30.878 30.300 -0.197 0.000 1.168 383 R HN 0.302 nan 8.270 nan 0.000 0.472 384 F N 2.475 122.565 119.950 0.233 0.000 2.467 384 F HA 0.495 5.025 4.527 0.006 0.000 0.336 384 F C 0.332 176.317 175.800 0.308 0.000 1.123 384 F CA -0.962 57.233 58.000 0.326 0.000 0.964 384 F CB 2.180 41.297 39.000 0.194 0.000 1.136 384 F HN 0.534 nan 8.300 nan 0.000 0.447 385 A N 4.647 127.760 122.820 0.488 0.000 2.350 385 A HA 0.493 4.817 4.320 0.006 0.000 0.293 385 A C 0.664 178.352 177.584 0.175 0.000 1.231 385 A CA -0.309 51.763 52.037 0.058 0.000 0.883 385 A CB -0.048 18.873 19.000 -0.132 0.000 1.133 385 A HN 0.979 nan 8.150 nan 0.000 0.533 386 L N 1.465 122.725 121.223 0.062 0.000 2.375 386 L HA 0.320 4.664 4.340 0.006 0.000 0.215 386 L C 1.134 178.015 176.870 0.017 0.000 1.108 386 L CA 0.958 55.831 54.840 0.055 0.000 0.830 386 L CB -0.408 41.672 42.059 0.034 0.000 0.959 386 L HN 0.768 nan 8.230 nan 0.000 0.457 387 A N -0.850 121.953 122.820 -0.028 0.000 2.557 387 A HA 0.444 4.768 4.320 0.006 0.000 0.292 387 A C 0.112 177.648 177.584 -0.080 0.000 1.139 387 A CA -0.515 51.513 52.037 -0.015 0.000 0.665 387 A CB 0.748 19.760 19.000 0.020 0.000 1.285 387 A HN -0.031 nan 8.150 nan 0.000 0.433 388 E N 0.586 120.768 120.200 -0.030 0.000 2.058 388 E HA -0.088 4.266 4.350 0.006 0.000 0.194 388 E C -1.003 175.576 176.600 -0.036 0.000 0.997 388 E CA 2.468 58.850 56.400 -0.031 0.000 0.801 388 E CB -0.620 29.086 29.700 0.011 0.000 0.746 388 E HN 0.551 nan 8.360 nan 0.000 0.450 389 P HA 0.062 nan 4.420 nan 0.000 0.249 389 P C -0.499 176.834 177.300 0.055 0.000 1.229 389 P CA 0.332 63.438 63.100 0.011 0.000 0.788 389 P CB 0.320 32.007 31.700 -0.022 0.000 1.072 390 L N 1.146 122.333 121.223 -0.061 0.000 2.372 390 L HA 0.446 4.789 4.340 0.006 0.000 0.273 390 L C -0.968 175.762 176.870 -0.234 0.000 0.989 390 L CA -0.700 54.160 54.840 0.033 0.000 0.841 390 L CB 0.853 42.993 42.059 0.136 0.000 1.225 390 L HN -0.060 nan 8.230 nan 0.000 0.414 391 H N 4.984 124.143 119.070 0.149 0.000 2.524 391 H HA 0.522 5.082 4.556 0.006 0.000 0.353 391 H C -1.250 174.176 175.328 0.163 0.000 1.136 391 H CA -0.816 55.315 56.048 0.140 0.000 1.193 391 H CB 2.773 32.586 29.762 0.085 0.000 1.558 391 H HN 0.525 nan 8.280 nan 0.000 0.515 392 L N 3.886 125.290 121.223 0.303 0.000 2.325 392 L HA 0.426 4.770 4.340 0.006 0.000 0.281 392 L C -1.025 176.018 176.870 0.289 0.000 1.004 392 L CA -0.360 54.651 54.840 0.285 0.000 0.823 392 L CB 0.684 42.913 42.059 0.283 0.000 1.236 392 L HN 0.485 nan 8.230 nan 0.000 0.415 393 I N 6.346 127.068 120.570 0.253 0.000 2.321 393 I HA 0.433 4.607 4.170 0.006 0.000 0.291 393 I C -0.546 175.758 176.117 0.313 0.000 0.998 393 I CA -0.920 60.510 61.300 0.217 0.000 1.227 393 I CB 1.602 39.717 38.000 0.192 0.000 1.368 393 I HN 0.461 nan 8.210 nan 0.000 0.466 394 V N 2.764 122.846 119.914 0.281 0.000 2.487 394 V HA 0.977 5.101 4.120 0.006 0.000 0.298 394 V C -0.048 176.180 176.094 0.225 0.000 1.028 394 V CA -0.365 62.119 62.300 0.307 0.000 0.860 394 V CB 1.257 33.286 31.823 0.343 0.000 0.991 394 V HN 0.804 nan 8.190 nan 0.000 0.427 395 G N 2.345 111.271 108.800 0.210 0.000 2.571 395 G HA2 0.701 4.665 3.960 0.006 0.000 0.304 395 G HA3 0.701 4.665 3.960 0.006 0.000 0.304 395 G C -1.703 173.244 174.900 0.078 0.000 1.314 395 G CA -0.564 44.602 45.100 0.109 0.000 0.975 395 G HN 0.705 nan 8.290 nan 0.000 0.485 396 D N 0.479 120.911 120.400 0.053 0.000 2.505 396 D HA 0.433 5.076 4.640 0.006 0.000 0.249 396 D C -0.507 175.692 176.300 -0.169 0.000 1.082 396 D CA -0.389 53.523 54.000 -0.147 0.000 0.839 396 D CB 2.854 43.578 40.800 -0.127 0.000 1.317 396 D HN 0.343 nan 8.370 nan 0.000 0.497 397 R N 2.206 122.471 120.500 -0.392 0.000 2.575 397 R HA 0.325 4.669 4.340 0.006 0.000 0.293 397 R C -1.256 174.909 176.300 -0.226 0.000 0.983 397 R CA -0.669 55.364 56.100 -0.112 0.000 0.887 397 R CB 1.782 32.062 30.300 -0.033 0.000 1.184 397 R HN 0.413 nan 8.270 nan 0.000 0.445 398 W N 2.760 124.173 121.300 0.188 0.000 2.429 398 W HA 0.381 5.045 4.660 0.006 0.000 0.314 398 W C -0.666 175.933 176.519 0.132 0.000 1.062 398 W CA -0.571 56.881 57.345 0.178 0.000 1.211 398 W CB 2.280 31.857 29.460 0.196 0.000 1.305 398 W HN 0.459 nan 8.180 nan 0.000 0.476 399 S N 2.355 118.208 115.700 0.255 0.000 2.542 399 S HA 0.440 4.914 4.470 0.006 0.000 0.293 399 S C -0.840 173.866 174.600 0.177 0.000 1.089 399 S CA -0.823 57.510 58.200 0.221 0.000 0.961 399 S CB 2.648 66.041 63.200 0.322 0.000 1.062 399 S HN 0.271 nan 8.310 nan 0.000 0.483 400 D N 0.494 121.024 120.400 0.216 0.000 2.457 400 D HA 0.508 5.151 4.640 0.006 0.000 0.240 400 D C -1.334 175.151 176.300 0.309 0.000 1.041 400 D CA -0.189 53.941 54.000 0.216 0.000 0.861 400 D CB 2.134 43.040 40.800 0.175 0.000 1.394 400 D HN 0.621 nan 8.370 nan 0.000 0.473 401 W N 2.411 123.766 121.300 0.091 0.000 3.439 401 W HA 0.289 4.953 4.660 0.006 0.000 0.323 401 W C -1.416 175.127 176.519 0.041 0.000 1.174 401 W CA -0.655 56.743 57.345 0.089 0.000 1.224 401 W CB 1.183 30.758 29.460 0.192 0.000 1.348 401 W HN 0.284 nan 8.180 nan 0.000 0.498 402 K N 3.105 123.258 120.400 -0.411 0.000 2.512 402 K HA 0.867 5.191 4.320 0.006 0.000 0.263 402 K C -1.620 174.427 176.600 -0.921 0.000 0.966 402 K CA -0.898 55.121 56.287 -0.447 0.000 0.851 402 K CB 2.447 34.854 32.500 -0.155 0.000 1.395 402 K HN 0.230 nan 8.250 nan 0.000 0.440 403 T N 0.507 114.637 114.554 -0.706 0.000 2.909 403 T HA 0.414 4.768 4.350 0.006 0.000 0.299 403 T C -1.825 172.717 174.700 -0.263 0.000 1.073 403 T CA -0.736 61.020 62.100 -0.573 0.000 0.999 403 T CB 1.305 69.820 68.868 -0.588 0.000 1.098 403 T HN 0.512 nan 8.240 nan 0.000 0.477 404 K N 3.815 124.131 120.400 -0.141 0.000 2.637 404 K HA 0.335 4.659 4.320 0.006 0.000 0.248 404 K C -1.379 175.201 176.600 -0.035 0.000 0.971 404 K CA -0.398 55.855 56.287 -0.057 0.000 0.858 404 K CB 1.669 34.139 32.500 -0.050 0.000 1.170 404 K HN 0.739 nan 8.250 nan 0.000 0.443 405 Q N 4.102 123.884 119.800 -0.031 0.000 2.330 405 Q HA 0.488 4.831 4.340 0.006 0.000 0.269 405 Q C -0.564 175.244 176.000 -0.320 0.000 1.022 405 Q CA -0.608 55.105 55.803 -0.151 0.000 0.796 405 Q CB 2.680 31.415 28.738 -0.005 0.000 1.271 405 Q HN 0.394 nan 8.270 nan 0.000 0.450 406 M N 2.769 122.068 119.600 -0.502 0.000 2.243 406 M HA 0.492 4.976 4.480 0.006 0.000 0.324 406 M C -1.385 174.538 176.300 -0.627 0.000 1.031 406 M CA -0.415 54.651 55.300 -0.390 0.000 0.949 406 M CB 1.198 33.706 32.600 -0.153 0.000 1.615 406 M HN 0.578 nan 8.290 nan 0.000 0.430 407 Y N 0.364 120.710 120.300 0.077 0.000 2.662 407 Y HA 0.492 5.045 4.550 0.006 0.000 0.335 407 Y C -0.491 175.492 175.900 0.139 0.000 1.066 407 Y CA -1.031 57.128 58.100 0.099 0.000 1.116 407 Y CB 1.095 39.608 38.460 0.087 0.000 1.308 407 Y HN 0.469 nan 8.280 nan 0.000 0.502 408 F N 2.014 122.078 119.950 0.190 0.000 2.519 408 F HA 0.391 4.923 4.527 0.008 0.000 0.375 408 F C 1.016 176.876 175.800 0.099 0.000 1.084 408 F CA 0.886 58.947 58.000 0.102 0.000 1.147 408 F CB -0.229 38.812 39.000 0.068 0.000 1.088 408 F HN 0.700 nan 8.300 nan 0.000 0.555 409 G N 3.359 111.957 108.800 -0.336 0.000 2.176 409 G HA2 -0.182 3.782 3.960 0.006 0.000 0.253 409 G HA3 -0.182 3.782 3.960 0.006 0.000 0.253 409 G C 0.151 174.999 174.900 -0.087 0.000 0.979 409 G CA 0.431 45.338 45.100 -0.322 0.000 0.641 409 G HN 1.504 nan 8.290 nan 0.000 0.530 410 S N -1.741 113.980 115.700 0.033 0.000 2.752 410 S HA 0.820 5.294 4.470 0.006 0.000 0.284 410 S C -0.791 173.895 174.600 0.144 0.000 1.189 410 S CA 0.042 58.300 58.200 0.096 0.000 0.835 410 S CB 2.324 65.599 63.200 0.124 0.000 1.192 410 S HN 1.082 nan 8.310 nan 0.000 0.506 411 R N 0.384 120.978 120.500 0.155 0.000 3.009 411 R HA 0.319 4.663 4.340 0.006 0.000 0.278 411 R C -1.494 174.904 176.300 0.163 0.000 1.515 411 R CA -0.215 55.954 56.100 0.114 0.000 1.055 411 R CB 1.109 31.451 30.300 0.069 0.000 1.345 411 R HN 0.773 nan 8.270 nan 0.000 0.421 412 R N 2.666 123.298 120.500 0.219 0.000 2.220 412 R HA 0.146 4.490 4.340 0.006 0.000 0.340 412 R C -0.932 175.514 176.300 0.243 0.000 1.076 412 R CA 0.091 56.364 56.100 0.287 0.000 0.920 412 R CB 0.891 31.431 30.300 0.400 0.000 1.062 412 R HN 0.515 nan 8.270 nan 0.000 0.469 413 E N 4.370 124.735 120.200 0.275 0.000 2.265 413 E HA 0.241 4.594 4.350 0.006 0.000 0.262 413 E C -1.893 174.909 176.600 0.336 0.000 0.889 413 E CA -0.791 55.725 56.400 0.193 0.000 0.789 413 E CB 1.005 30.775 29.700 0.117 0.000 1.221 413 E HN 0.535 nan 8.360 nan 0.000 0.414 414 Y N 1.244 121.630 120.300 0.144 0.000 2.620 414 Y HA 0.473 5.027 4.550 0.006 0.000 0.331 414 Y C -1.604 174.429 175.900 0.222 0.000 1.173 414 Y CA -1.334 56.869 58.100 0.172 0.000 1.076 414 Y CB 0.633 39.209 38.460 0.193 0.000 1.336 414 Y HN 0.469 nan 8.280 nan 0.000 0.459 415 R N 3.766 124.464 120.500 0.329 0.000 2.778 415 R HA 0.865 5.209 4.340 0.006 0.000 0.277 415 R C -1.057 175.473 176.300 0.384 0.000 0.977 415 R CA -0.879 55.405 56.100 0.307 0.000 0.950 415 R CB 2.584 32.989 30.300 0.173 0.000 1.165 415 R HN 0.998 nan 8.270 nan 0.000 0.474 416 I N -0.527 120.272 120.570 0.383 0.000 2.437 416 I HA 0.377 4.551 4.170 0.006 0.000 0.298 416 I C -0.103 176.103 176.117 0.148 0.000 0.984 416 I CA -1.434 60.013 61.300 0.245 0.000 1.214 416 I CB 1.661 39.769 38.000 0.181 0.000 1.365 416 I HN 0.595 nan 8.210 nan 0.000 0.469 417 K N 3.669 124.126 120.400 0.095 0.000 2.518 417 K HA -0.083 4.241 4.320 0.006 0.000 0.276 417 K C -0.429 176.198 176.600 0.045 0.000 0.974 417 K CA 0.070 56.399 56.287 0.070 0.000 0.986 417 K CB -0.182 32.350 32.500 0.055 0.000 0.901 417 K HN 0.823 nan 8.250 nan 0.000 0.497 418 N N 2.279 121.026 118.700 0.078 0.000 2.236 418 N HA -0.132 4.612 4.740 0.006 0.000 0.274 418 N C -0.657 174.901 175.510 0.081 0.000 1.339 418 N CA 0.552 53.667 53.050 0.108 0.000 0.845 418 N CB 0.378 38.962 38.487 0.162 0.000 1.091 418 N HN 0.304 nan 8.380 nan 0.000 0.489 419 Q N 2.495 122.276 119.800 -0.031 0.000 2.241 419 Q HA 0.246 4.590 4.340 0.006 0.000 0.254 419 Q C -0.894 175.101 176.000 -0.008 0.000 0.917 419 Q CA -0.408 55.282 55.803 -0.187 0.000 0.919 419 Q CB 1.170 29.430 28.738 -0.797 0.000 1.237 419 Q HN 0.567 nan 8.270 nan 0.000 0.434 420 F N 1.566 121.426 119.950 -0.149 0.000 2.415 420 F HA 0.377 4.908 4.527 0.007 0.000 0.348 420 F C -0.563 175.116 175.800 -0.202 0.000 1.119 420 F CA -0.307 57.531 58.000 -0.269 0.000 1.069 420 F CB 1.335 40.199 39.000 -0.226 0.000 1.124 420 F HN 0.222 nan 8.300 nan 0.000 0.472 421 T N 8.228 122.156 114.554 -1.042 0.000 2.809 421 T HA 0.431 4.785 4.350 0.006 0.000 0.284 421 T C -2.780 171.250 174.700 -1.116 0.000 0.992 421 T CA -1.220 60.390 62.100 -0.816 0.000 0.957 421 T CB 1.665 70.338 68.868 -0.325 0.000 0.942 421 T HN 0.353 nan 8.240 nan 0.000 0.439 422 P HA 0.524 nan 4.420 nan 0.000 0.285 422 P C -1.650 175.570 177.300 -0.133 0.000 1.280 422 P CA -0.815 62.031 63.100 -0.425 0.000 0.862 422 P CB 1.088 32.743 31.700 -0.075 0.000 1.153 423 Y N 0.176 120.404 120.300 -0.120 0.000 2.401 423 Y HA 0.596 5.150 4.550 0.006 0.000 0.330 423 Y C -1.658 174.259 175.900 0.029 0.000 1.071 423 Y CA -0.647 57.405 58.100 -0.081 0.000 1.049 423 Y CB 1.548 39.943 38.460 -0.109 0.000 1.239 423 Y HN 0.610 nan 8.280 nan 0.000 0.437 424 A N 3.985 126.746 122.820 -0.097 0.000 2.385 424 A HA 0.811 5.135 4.320 0.006 0.000 0.290 424 A C -0.850 176.689 177.584 -0.074 0.000 1.094 424 A CA -0.079 51.991 52.037 0.055 0.000 0.729 424 A CB 0.703 19.767 19.000 0.106 0.000 1.194 424 A HN 1.154 nan 8.150 nan 0.000 0.442 425 G N 0.527 109.382 108.800 0.092 0.000 2.591 425 G HA2 0.635 4.599 3.960 0.006 0.000 0.306 425 G HA3 0.635 4.599 3.960 0.006 0.000 0.306 425 G C -1.745 173.268 174.900 0.188 0.000 1.334 425 G CA -0.510 44.658 45.100 0.114 0.000 0.981 425 G HN 0.958 nan 8.290 nan 0.000 0.491 426 L N 1.670 123.010 121.223 0.195 0.000 2.385 426 L HA 0.815 5.159 4.340 0.006 0.000 0.273 426 L C 0.084 177.103 176.870 0.249 0.000 0.990 426 L CA -0.374 54.589 54.840 0.205 0.000 0.821 426 L CB 2.476 44.632 42.059 0.161 0.000 1.279 426 L HN 0.720 nan 8.230 nan 0.000 0.412 427 T N 1.234 115.943 114.554 0.259 0.000 2.848 427 T HA 0.516 4.870 4.350 0.006 0.000 0.285 427 T C -1.193 173.692 174.700 0.309 0.000 0.995 427 T CA -0.514 61.751 62.100 0.275 0.000 0.970 427 T CB 1.245 70.234 68.868 0.203 0.000 0.976 427 T HN 0.446 nan 8.240 nan 0.000 0.441 428 Y N 2.162 122.552 120.300 0.149 0.000 2.332 428 Y HA 0.406 4.959 4.550 0.006 0.000 0.326 428 Y C -1.116 174.849 175.900 0.109 0.000 0.978 428 Y CA -1.475 56.691 58.100 0.111 0.000 1.205 428 Y CB 1.141 39.648 38.460 0.079 0.000 1.131 428 Y HN 0.672 nan 8.280 nan 0.000 0.462 429 D N 7.457 127.564 120.400 -0.489 0.000 2.344 429 D HA 0.141 4.785 4.640 0.006 0.000 0.253 429 D C 1.327 177.161 176.300 -0.776 0.000 1.255 429 D CA 0.510 54.251 54.000 -0.432 0.000 0.894 429 D CB 1.018 41.697 40.800 -0.201 0.000 1.067 429 D HN 0.719 nan 8.370 nan 0.000 0.492 430 I N 1.901 122.180 120.570 -0.485 0.000 2.202 430 I HA -0.246 3.927 4.170 0.006 0.000 0.242 430 I C 1.005 177.063 176.117 -0.099 0.000 1.091 430 I CA 1.057 62.200 61.300 -0.261 0.000 1.368 430 I CB -0.068 37.942 38.000 0.017 0.000 1.058 430 I HN 0.385 nan 8.210 nan 0.000 0.410 431 N N -2.038 116.637 118.700 -0.041 0.000 3.587 431 N HA 0.089 4.833 4.740 0.006 0.000 0.339 431 N C 0.097 175.582 175.510 -0.041 0.000 1.636 431 N CA -0.550 52.495 53.050 -0.008 0.000 0.788 431 N CB -0.079 38.447 38.487 0.065 0.000 2.205 431 N HN -0.318 nan 8.380 nan 0.000 0.600 432 D N -0.579 119.801 120.400 -0.033 0.000 2.149 432 D HA -0.066 4.577 4.640 0.006 0.000 0.198 432 D C 1.002 177.221 176.300 -0.135 0.000 0.990 432 D CA 2.023 55.984 54.000 -0.066 0.000 0.839 432 D CB -0.278 40.496 40.800 -0.043 0.000 0.948 432 D HN 0.633 nan 8.370 nan 0.000 0.460 433 T N -0.999 113.436 114.554 -0.199 0.000 2.925 433 T HA 0.024 4.378 4.350 0.006 0.000 0.245 433 T C 0.397 174.772 174.700 -0.541 0.000 1.025 433 T CA 0.338 62.151 62.100 -0.477 0.000 1.149 433 T CB -0.070 68.370 68.868 -0.714 0.000 0.866 433 T HN -0.001 nan 8.240 nan 0.000 0.437 434 Y N 1.559 121.769 120.300 -0.151 0.000 2.310 434 Y HA 0.550 5.104 4.550 0.006 0.000 0.326 434 Y C 0.378 176.219 175.900 -0.098 0.000 1.151 434 Y CA -0.563 57.466 58.100 -0.119 0.000 1.195 434 Y CB 1.157 39.576 38.460 -0.069 0.000 1.210 434 Y HN -0.093 nan 8.280 nan 0.000 0.483 435 T N 2.259 116.881 114.554 0.114 0.000 2.921 435 T HA 0.718 5.072 4.350 0.006 0.000 0.297 435 T C -0.764 174.050 174.700 0.190 0.000 1.013 435 T CA -0.776 61.377 62.100 0.089 0.000 0.990 435 T CB 1.182 70.078 68.868 0.047 0.000 1.023 435 T HN 0.750 nan 8.240 nan 0.000 0.447 436 A N 2.925 125.868 122.820 0.206 0.000 2.306 436 A HA 0.946 5.270 4.320 0.006 0.000 0.330 436 A C -1.173 176.584 177.584 0.289 0.000 1.146 436 A CA -0.652 51.511 52.037 0.211 0.000 0.827 436 A CB 0.582 19.690 19.000 0.179 0.000 1.178 436 A HN 0.960 nan 8.150 nan 0.000 0.490 437 Y N -2.040 118.324 120.300 0.107 0.000 2.609 437 Y HA 0.777 5.331 4.550 0.006 0.000 0.336 437 Y C -0.641 175.311 175.900 0.086 0.000 1.129 437 Y CA -0.871 57.289 58.100 0.100 0.000 1.040 437 Y CB 0.933 39.443 38.460 0.083 0.000 1.310 437 Y HN 1.189 nan 8.280 nan 0.000 0.460 438 A N 1.668 124.588 122.820 0.167 0.000 2.515 438 A HA 0.890 5.214 4.320 0.006 0.000 0.298 438 A C -1.151 176.547 177.584 0.190 0.000 1.059 438 A CA -0.182 51.908 52.037 0.088 0.000 0.698 438 A CB 1.434 20.471 19.000 0.061 0.000 1.289 438 A HN 1.632 nan 8.150 nan 0.000 0.404 439 S N 0.221 116.010 115.700 0.147 0.000 2.588 439 S HA 0.769 5.243 4.470 0.006 0.000 0.275 439 S C -1.319 173.261 174.600 -0.032 0.000 1.130 439 S CA -0.617 57.589 58.200 0.010 0.000 0.855 439 S CB 1.470 64.611 63.200 -0.099 0.000 1.116 439 S HN 1.517 nan 8.310 nan 0.000 0.472 440 Y N 0.696 120.808 120.300 -0.314 0.000 2.406 440 Y HA 0.720 5.274 4.550 0.007 0.000 0.340 440 Y C -0.332 175.279 175.900 -0.482 0.000 0.975 440 Y CA 0.020 57.859 58.100 -0.434 0.000 1.056 440 Y CB 2.056 40.248 38.460 -0.447 0.000 1.210 440 Y HN 1.131 nan 8.280 nan 0.000 0.448 441 T N 3.940 117.772 114.554 -1.203 0.000 2.711 441 T HA 0.536 4.890 4.350 0.006 0.000 0.302 441 T C -1.720 172.449 174.700 -0.884 0.000 1.373 441 T CA -0.596 60.950 62.100 -0.924 0.000 1.000 441 T CB 1.534 70.087 68.868 -0.526 0.000 1.483 441 T HN 0.761 nan 8.240 nan 0.000 0.499 442 E N 0.212 120.097 120.200 -0.524 0.000 2.433 442 E HA 0.768 5.121 4.350 0.006 0.000 0.273 442 E C -1.284 175.163 176.600 -0.254 0.000 0.950 442 E CA -0.891 55.286 56.400 -0.371 0.000 0.796 442 E CB 3.014 32.550 29.700 -0.272 0.000 1.330 442 E HN 0.553 nan 8.360 nan 0.000 0.455 443 I N 1.735 122.178 120.570 -0.211 0.000 2.775 443 I HA 0.373 4.547 4.170 0.006 0.000 0.295 443 I C -1.694 174.334 176.117 -0.148 0.000 1.287 443 I CA -0.825 60.350 61.300 -0.209 0.000 1.029 443 I CB 1.216 39.041 38.000 -0.293 0.000 1.282 443 I HN 0.547 nan 8.210 nan 0.000 0.426 444 F N 4.812 124.645 119.950 -0.194 0.000 2.523 444 F HA 0.831 5.362 4.527 0.007 0.000 0.329 444 F C -0.827 174.846 175.800 -0.212 0.000 1.061 444 F CA -0.787 57.103 58.000 -0.183 0.000 0.967 444 F CB 1.279 40.188 39.000 -0.152 0.000 1.218 444 F HN 0.401 nan 8.300 nan 0.000 0.480 445 Q N 3.116 122.846 119.800 -0.116 0.000 2.294 445 Q HA 0.513 4.856 4.340 0.006 0.000 0.264 445 Q C -2.979 172.925 176.000 -0.160 0.000 0.992 445 Q CA -2.270 53.389 55.803 -0.240 0.000 0.747 445 Q CB 2.180 30.800 28.738 -0.197 0.000 1.262 445 Q HN 0.383 nan 8.270 nan 0.000 0.452 446 P HA 0.034 nan 4.420 nan 0.000 0.269 446 P C -1.376 175.846 177.300 -0.130 0.000 1.215 446 P CA 0.082 62.983 63.100 -0.331 0.000 0.780 446 P CB 0.477 31.541 31.700 -1.061 0.000 0.898 447 Q N 0.613 120.402 119.800 -0.019 0.000 2.372 447 Q HA 0.441 4.785 4.340 0.006 0.000 0.273 447 Q C -0.944 175.020 176.000 -0.059 0.000 1.078 447 Q CA -1.053 54.758 55.803 0.014 0.000 0.806 447 Q CB 1.248 29.979 28.738 -0.012 0.000 1.332 447 Q HN 0.110 nan 8.270 nan 0.000 0.435 448 N N 1.268 119.963 118.700 -0.008 0.000 2.807 448 N HA 0.410 5.154 4.740 0.006 0.000 0.259 448 N C -1.772 173.657 175.510 -0.135 0.000 1.149 448 N CA 0.112 53.063 53.050 -0.165 0.000 1.042 448 N CB 0.440 38.990 38.487 0.104 0.000 1.367 448 N HN 0.690 nan 8.380 nan 0.000 0.516 449 A N 2.821 125.524 122.820 -0.195 0.000 2.520 449 A HA 0.730 5.053 4.320 0.006 0.000 0.298 449 A C -0.693 176.821 177.584 -0.117 0.000 1.051 449 A CA -0.852 51.121 52.037 -0.106 0.000 0.690 449 A CB 1.378 20.342 19.000 -0.060 0.000 1.281 449 A HN 0.554 nan 8.150 nan 0.000 0.402 450 R N 1.226 121.684 120.500 -0.070 0.000 2.750 450 R HA 0.431 4.775 4.340 0.006 0.000 0.281 450 R C -1.086 175.199 176.300 -0.025 0.000 0.972 450 R CA -1.021 55.048 56.100 -0.053 0.000 0.912 450 R CB 1.575 31.850 30.300 -0.042 0.000 1.187 450 R HN 0.789 nan 8.270 nan 0.000 0.464 451 D N 0.362 120.752 120.400 -0.016 0.000 2.307 451 D HA -0.113 4.530 4.640 0.006 0.000 0.234 451 D C 1.189 177.489 176.300 -0.001 0.000 1.308 451 D CA 0.780 54.777 54.000 -0.005 0.000 0.886 451 D CB 0.689 41.490 40.800 0.001 0.000 1.202 451 D HN 0.478 nan 8.370 nan 0.000 0.479 452 T N -0.912 113.644 114.554 0.003 0.000 2.995 452 T HA -0.064 4.290 4.350 0.006 0.000 0.269 452 T C 1.600 176.304 174.700 0.007 0.000 1.091 452 T CA 1.224 63.327 62.100 0.005 0.000 1.128 452 T CB 0.053 68.925 68.868 0.005 0.000 0.891 452 T HN 0.202 nan 8.240 nan 0.000 0.492 453 S N -0.479 115.226 115.700 0.008 0.000 2.501 453 S HA 0.355 4.828 4.470 0.006 0.000 0.220 453 S C 1.681 176.288 174.600 0.012 0.000 0.997 453 S CA 0.643 58.849 58.200 0.011 0.000 0.919 453 S CB 0.174 63.382 63.200 0.012 0.000 0.778 453 S HN 0.807 nan 8.310 nan 0.000 0.523 454 G N 0.905 109.710 108.800 0.009 0.000 2.201 454 G HA2 -0.129 3.835 3.960 0.006 0.000 0.212 454 G HA3 -0.129 3.835 3.960 0.006 0.000 0.212 454 G C 0.300 175.207 174.900 0.011 0.000 0.994 454 G CA -0.385 44.722 45.100 0.011 0.000 0.644 454 G HN 0.785 nan 8.290 nan 0.000 0.508 455 G N -0.115 108.692 108.800 0.011 0.000 2.527 455 G HA2 0.539 4.503 3.960 0.006 0.000 0.248 455 G HA3 0.539 4.503 3.960 0.006 0.000 0.248 455 G C 0.197 175.096 174.900 -0.003 0.000 1.231 455 G CA -0.020 45.090 45.100 0.015 0.000 0.838 455 G HN 0.859 nan 8.290 nan 0.000 0.570 456 I N 0.854 121.426 120.570 0.002 0.000 2.618 456 I HA 0.113 4.287 4.170 0.006 0.000 0.284 456 I C 0.284 176.386 176.117 -0.025 0.000 1.146 456 I CA -0.518 60.758 61.300 -0.040 0.000 1.425 456 I CB 0.579 38.579 38.000 -0.000 0.000 1.383 456 I HN 0.226 nan 8.210 nan 0.000 0.562 457 L N 10.330 131.521 121.223 -0.054 0.000 2.461 457 L HA 0.262 4.606 4.340 0.006 0.000 0.272 457 L C -1.828 175.035 176.870 -0.012 0.000 1.197 457 L CA -1.013 53.810 54.840 -0.029 0.000 0.836 457 L CB -0.661 41.376 42.059 -0.036 0.000 1.105 457 L HN 0.541 nan 8.230 nan 0.000 0.477 458 P HA 0.028 nan 4.420 nan 0.000 0.267 458 P C -2.575 174.722 177.300 -0.004 0.000 1.195 458 P CA -0.840 62.260 63.100 -0.001 0.000 0.773 458 P CB -0.550 31.151 31.700 0.001 0.000 0.837 459 P HA 0.128 nan 4.420 nan 0.000 0.272 459 P C 0.199 177.512 177.300 0.022 0.000 1.240 459 P CA -0.044 63.066 63.100 0.017 0.000 0.791 459 P CB 0.521 32.281 31.700 0.100 0.000 0.978 460 I N 0.616 121.192 120.570 0.009 0.000 2.710 460 I HA 0.021 4.194 4.170 0.006 0.000 0.286 460 I C 1.282 177.404 176.117 0.009 0.000 1.181 460 I CA 0.467 61.766 61.300 -0.002 0.000 1.430 460 I CB -0.133 37.849 38.000 -0.029 0.000 1.367 460 I HN 0.267 nan 8.210 nan 0.000 0.577 461 K N 5.286 125.687 120.400 0.002 0.000 2.425 461 K HA 0.382 4.706 4.320 0.006 0.000 0.259 461 K C -0.972 175.602 176.600 -0.044 0.000 0.978 461 K CA -0.392 55.896 56.287 0.002 0.000 0.883 461 K CB 1.027 33.541 32.500 0.025 0.000 1.110 461 K HN 0.600 nan 8.250 nan 0.000 0.436 462 S N 3.831 119.465 115.700 -0.109 0.000 2.499 462 S HA 0.311 4.785 4.470 0.006 0.000 0.279 462 S C -0.882 173.622 174.600 -0.160 0.000 1.219 462 S CA -0.667 57.432 58.200 -0.169 0.000 1.062 462 S CB 0.885 63.904 63.200 -0.302 0.000 0.978 462 S HN 0.480 nan 8.310 nan 0.000 0.489 463 K N 2.125 122.464 120.400 -0.103 0.000 2.535 463 K HA 0.422 4.746 4.320 0.006 0.000 0.253 463 K C -1.038 175.500 176.600 -0.104 0.000 0.953 463 K CA -0.345 55.881 56.287 -0.101 0.000 0.863 463 K CB 1.744 34.327 32.500 0.140 0.000 1.111 463 K HN 0.377 nan 8.250 nan 0.000 0.431 464 S N 2.438 117.912 115.700 -0.377 0.000 2.530 464 S HA 0.419 4.893 4.470 0.006 0.000 0.322 464 S C -1.259 173.186 174.600 -0.259 0.000 1.085 464 S CA -0.559 57.506 58.200 -0.225 0.000 1.096 464 S CB 0.303 63.344 63.200 -0.265 0.000 0.988 464 S HN 0.335 nan 8.310 nan 0.000 0.466 465 Y N 1.879 122.223 120.300 0.073 0.000 2.377 465 Y HA 0.587 5.141 4.550 0.006 0.000 0.339 465 Y C 0.385 176.348 175.900 0.105 0.000 1.011 465 Y CA -0.609 57.567 58.100 0.127 0.000 1.093 465 Y CB 1.474 40.022 38.460 0.146 0.000 1.201 465 Y HN 0.598 nan 8.280 nan 0.000 0.455 466 E N 3.253 123.599 120.200 0.245 0.000 2.352 466 E HA 0.594 4.947 4.350 0.006 0.000 0.280 466 E C -2.100 174.541 176.600 0.068 0.000 0.930 466 E CA -0.889 55.623 56.400 0.187 0.000 0.765 466 E CB 1.614 31.444 29.700 0.216 0.000 1.219 466 E HN 0.519 nan 8.360 nan 0.000 0.434 467 L N 0.769 121.958 121.223 -0.056 0.000 2.309 467 L HA 1.070 5.414 4.340 0.006 0.000 0.261 467 L C -0.126 176.449 176.870 -0.493 0.000 1.021 467 L CA -0.407 54.265 54.840 -0.280 0.000 0.823 467 L CB 1.830 43.804 42.059 -0.140 0.000 1.366 467 L HN 0.597 nan 8.230 nan 0.000 0.423 468 G N 0.094 108.419 108.800 -0.791 0.000 2.441 468 G HA2 0.563 4.527 3.960 0.006 0.000 0.294 468 G HA3 0.563 4.527 3.960 0.006 0.000 0.294 468 G C -2.645 172.067 174.900 -0.313 0.000 1.393 468 G CA -0.578 44.157 45.100 -0.609 0.000 0.796 468 G HN 0.864 nan 8.290 nan 0.000 0.494 469 L N -0.138 121.112 121.223 0.045 0.000 2.438 469 L HA 0.791 5.135 4.340 0.006 0.000 0.270 469 L C -0.566 176.455 176.870 0.251 0.000 0.972 469 L CA -0.619 54.316 54.840 0.158 0.000 0.831 469 L CB 1.905 44.025 42.059 0.102 0.000 1.273 469 L HN 0.596 nan 8.230 nan 0.000 0.405 470 K N 3.350 123.901 120.400 0.253 0.000 2.267 470 K HA 0.959 5.282 4.320 0.006 0.000 0.246 470 K C -1.317 175.316 176.600 0.054 0.000 0.954 470 K CA -0.854 55.524 56.287 0.151 0.000 0.824 470 K CB 2.223 34.781 32.500 0.097 0.000 1.167 470 K HN 0.678 nan 8.250 nan 0.000 0.431 471 A N 0.768 123.519 122.820 -0.115 0.000 2.422 471 A HA 0.752 5.075 4.320 0.006 0.000 0.302 471 A C -1.481 175.805 177.584 -0.497 0.000 1.041 471 A CA -0.721 51.000 52.037 -0.526 0.000 0.708 471 A CB 1.738 20.230 19.000 -0.847 0.000 1.257 471 A HN 0.657 nan 8.150 nan 0.000 0.414 472 A N 2.135 124.608 122.820 -0.579 0.000 2.536 472 A HA 0.647 4.971 4.320 0.006 0.000 0.329 472 A C -0.928 176.412 177.584 -0.406 0.000 1.321 472 A CA -0.341 51.482 52.037 -0.358 0.000 0.804 472 A CB -0.280 18.589 19.000 -0.218 0.000 1.126 472 A HN 0.684 nan 8.150 nan 0.000 0.480 473 Y N 0.907 121.117 120.300 -0.149 0.000 2.314 473 Y HA 0.389 4.943 4.550 0.006 0.000 0.334 473 Y C 1.069 176.914 175.900 -0.091 0.000 1.266 473 Y CA -0.139 57.882 58.100 -0.131 0.000 1.391 473 Y CB 0.467 38.858 38.460 -0.114 0.000 1.306 473 Y HN 0.556 nan 8.280 nan 0.000 0.558 474 L N 1.707 122.992 121.223 0.104 0.000 3.795 474 L HA -0.355 3.989 4.340 0.006 0.000 0.489 474 L C 0.224 177.099 176.870 0.008 0.000 1.259 474 L CA 0.711 55.577 54.840 0.043 0.000 0.765 474 L CB -1.860 40.223 42.059 0.040 0.000 1.519 474 L HN 0.837 nan 8.230 nan 0.000 0.842 475 E N -1.274 118.916 120.200 -0.016 0.000 2.971 475 E HA -0.268 4.086 4.350 0.006 0.000 0.278 475 E C 1.287 177.862 176.600 -0.042 0.000 1.009 475 E CA 1.027 57.407 56.400 -0.032 0.000 0.862 475 E CB -1.247 28.441 29.700 -0.021 0.000 1.436 475 E HN 1.144 nan 8.360 nan 0.000 0.434 476 G N -0.595 108.177 108.800 -0.048 0.000 2.144 476 G HA2 -0.352 3.612 3.960 0.006 0.000 0.218 476 G HA3 -0.352 3.612 3.960 0.006 0.000 0.218 476 G C 0.595 175.478 174.900 -0.027 0.000 0.988 476 G CA 0.344 45.413 45.100 -0.053 0.000 0.659 476 G HN 0.301 nan 8.290 nan 0.000 0.522 477 R N -1.220 119.276 120.500 -0.007 0.000 2.148 477 R HA 0.279 4.623 4.340 0.006 0.000 0.223 477 R C 0.712 177.017 176.300 0.009 0.000 1.088 477 R CA 0.982 57.083 56.100 0.001 0.000 0.985 477 R CB 0.134 30.436 30.300 0.004 0.000 0.880 477 R HN 0.382 nan 8.270 nan 0.000 0.451 478 L N 1.213 122.457 121.223 0.034 0.000 2.415 478 L HA 0.334 4.678 4.340 0.006 0.000 0.268 478 L C -1.531 175.394 176.870 0.092 0.000 0.984 478 L CA -0.410 54.467 54.840 0.063 0.000 0.853 478 L CB 1.583 43.685 42.059 0.073 0.000 1.215 478 L HN -0.092 nan 8.230 nan 0.000 0.419 479 N N 2.148 120.875 118.700 0.044 0.000 2.443 479 N HA 0.751 5.495 4.740 0.006 0.000 0.295 479 N C -0.929 174.614 175.510 0.054 0.000 1.076 479 N CA -0.374 52.684 53.050 0.012 0.000 0.919 479 N CB 1.741 40.217 38.487 -0.018 0.000 1.176 479 N HN 0.516 nan 8.380 nan 0.000 0.487 480 T N 0.226 114.808 114.554 0.047 0.000 2.900 480 T HA 0.646 4.999 4.350 0.006 0.000 0.303 480 T C -1.467 173.288 174.700 0.091 0.000 1.142 480 T CA -0.501 61.660 62.100 0.102 0.000 1.007 480 T CB 1.394 70.387 68.868 0.209 0.000 1.156 480 T HN 0.301 nan 8.240 nan 0.000 0.490 481 S N 0.683 116.457 115.700 0.123 0.000 2.543 481 S HA 0.747 5.221 4.470 0.006 0.000 0.273 481 S C -1.791 172.912 174.600 0.171 0.000 1.152 481 S CA -0.419 57.871 58.200 0.152 0.000 0.910 481 S CB 1.123 64.400 63.200 0.130 0.000 1.105 481 S HN 1.027 nan 8.310 nan 0.000 0.465 482 A N 2.578 125.510 122.820 0.185 0.000 2.353 482 A HA 0.916 5.240 4.320 0.006 0.000 0.299 482 A C -0.514 177.162 177.584 0.152 0.000 1.089 482 A CA -0.229 51.905 52.037 0.162 0.000 0.736 482 A CB 1.116 20.193 19.000 0.129 0.000 1.195 482 A HN 1.382 nan 8.150 nan 0.000 0.447 483 A N 1.855 124.777 122.820 0.170 0.000 2.449 483 A HA 0.737 5.061 4.320 0.006 0.000 0.302 483 A C -1.288 176.385 177.584 0.147 0.000 1.048 483 A CA -0.497 51.633 52.037 0.155 0.000 0.708 483 A CB 1.292 20.460 19.000 0.281 0.000 1.274 483 A HN 1.720 nan 8.150 nan 0.000 0.410 484 L N 3.026 124.291 121.223 0.070 0.000 2.282 484 L HA 0.867 5.211 4.340 0.006 0.000 0.288 484 L C -0.971 175.956 176.870 0.095 0.000 1.033 484 L CA -0.412 54.438 54.840 0.017 0.000 0.807 484 L CB 0.577 42.617 42.059 -0.032 0.000 1.209 484 L HN 0.645 nan 8.230 nan 0.000 0.423 485 F N 2.758 122.743 119.950 0.057 0.000 2.563 485 F HA 0.751 5.282 4.527 0.006 0.000 0.316 485 F C -0.810 175.029 175.800 0.065 0.000 1.076 485 F CA -0.684 57.353 58.000 0.061 0.000 0.921 485 F CB 1.381 40.407 39.000 0.043 0.000 1.209 485 F HN 0.556 nan 8.300 nan 0.000 0.462 486 Q N 2.371 122.345 119.800 0.290 0.000 2.285 486 Q HA 0.438 4.782 4.340 0.006 0.000 0.269 486 Q C -1.790 174.390 176.000 0.300 0.000 1.030 486 Q CA -0.326 55.611 55.803 0.224 0.000 0.788 486 Q CB 2.570 31.375 28.738 0.111 0.000 1.266 486 Q HN 0.999 nan 8.270 nan 0.000 0.438 487 T N 4.236 118.947 114.554 0.261 0.000 2.841 487 T HA 0.654 5.007 4.350 0.006 0.000 0.283 487 T C -0.644 174.149 174.700 0.155 0.000 1.000 487 T CA -0.698 61.506 62.100 0.173 0.000 0.977 487 T CB 1.126 70.050 68.868 0.093 0.000 0.979 487 T HN 0.610 nan 8.240 nan 0.000 0.446 488 R N 1.868 122.443 120.500 0.125 0.000 2.750 488 R HA 0.624 4.968 4.340 0.006 0.000 0.281 488 R C -1.160 175.172 176.300 0.053 0.000 0.972 488 R CA -1.039 55.126 56.100 0.109 0.000 0.912 488 R CB 1.645 32.016 30.300 0.118 0.000 1.187 488 R HN 0.441 nan 8.270 nan 0.000 0.464 489 Q N 1.722 121.558 119.800 0.060 0.000 2.314 489 Q HA 0.253 4.597 4.340 0.006 0.000 0.259 489 Q C -1.185 174.840 176.000 0.041 0.000 0.951 489 Q CA -0.755 55.060 55.803 0.021 0.000 0.909 489 Q CB 2.012 30.769 28.738 0.032 0.000 1.236 489 Q HN 0.507 nan 8.270 nan 0.000 0.444 490 D N 1.610 122.028 120.400 0.030 0.000 2.326 490 D HA 0.237 4.881 4.640 0.006 0.000 0.248 490 D C 0.052 176.368 176.300 0.026 0.000 1.001 490 D CA -0.267 53.755 54.000 0.037 0.000 0.961 490 D CB 0.903 41.730 40.800 0.046 0.000 1.183 490 D HN 0.432 nan 8.370 nan 0.000 0.502 491 N N -0.134 118.582 118.700 0.027 0.000 2.747 491 N HA -0.214 4.530 4.740 0.006 0.000 0.249 491 N C -0.410 175.110 175.510 0.017 0.000 1.107 491 N CA 0.141 53.203 53.050 0.020 0.000 0.707 491 N CB -1.572 36.925 38.487 0.017 0.000 1.054 491 N HN 0.285 nan 8.380 nan 0.000 0.555 492 L N 1.156 122.393 121.223 0.023 0.000 2.410 492 L HA 0.422 4.766 4.340 0.006 0.000 0.273 492 L C 0.776 177.657 176.870 0.019 0.000 1.144 492 L CA -0.254 54.601 54.840 0.025 0.000 0.863 492 L CB 0.607 42.689 42.059 0.039 0.000 1.140 492 L HN 0.291 nan 8.230 nan 0.000 0.463 493 A N 5.353 128.180 122.820 0.012 0.000 2.546 493 A HA 0.163 4.487 4.320 0.006 0.000 0.243 493 A C 0.062 177.653 177.584 0.013 0.000 1.063 493 A CA 0.123 52.164 52.037 0.007 0.000 0.757 493 A CB -0.160 18.838 19.000 -0.003 0.000 0.991 493 A HN 0.795 nan 8.150 nan 0.000 0.503 494 Q N 2.864 122.670 119.800 0.011 0.000 2.339 494 Q HA 0.446 4.790 4.340 0.006 0.000 0.268 494 Q C -1.086 174.920 176.000 0.009 0.000 1.027 494 Q CA -0.667 55.144 55.803 0.013 0.000 0.759 494 Q CB 1.477 30.224 28.738 0.014 0.000 1.244 494 Q HN 0.596 nan 8.270 nan 0.000 0.464 495 V N 5.914 125.834 119.914 0.010 0.000 2.506 495 V HA -0.107 4.017 4.120 0.006 0.000 0.296 495 V C 0.640 176.738 176.094 0.007 0.000 1.004 495 V CA 0.813 63.118 62.300 0.007 0.000 1.150 495 V CB -0.256 31.572 31.823 0.009 0.000 0.911 495 V HN 0.735 nan 8.190 nan 0.000 0.476 496 I N 8.438 129.011 120.570 0.006 0.000 2.494 496 I HA 0.233 4.407 4.170 0.006 0.000 0.289 496 I C 0.119 176.240 176.117 0.006 0.000 1.106 496 I CA 0.159 61.463 61.300 0.006 0.000 1.369 496 I CB 0.096 38.099 38.000 0.005 0.000 1.410 496 I HN 0.740 nan 8.210 nan 0.000 0.523 497 P HA -0.308 nan 4.420 nan 0.000 0.268 497 P C 0.983 178.287 177.300 0.006 0.000 0.851 497 P CA 2.150 65.254 63.100 0.007 0.000 1.068 497 P CB -0.532 31.172 31.700 0.006 0.000 0.849 498 G N -2.542 106.262 108.800 0.006 0.000 3.453 498 G HA2 0.540 4.503 3.960 0.006 0.000 0.263 498 G HA3 0.540 4.503 3.960 0.006 0.000 0.263 498 G C 0.607 175.510 174.900 0.005 0.000 1.060 498 G CA 1.696 46.800 45.100 0.005 0.000 0.793 498 G HN 1.073 nan 8.290 nan 0.000 0.532 499 S N -0.068 115.635 115.700 0.005 0.000 2.499 499 S HA 0.789 5.263 4.470 0.006 0.000 0.279 499 S C 0.499 175.102 174.600 0.005 0.000 1.219 499 S CA 0.262 58.465 58.200 0.005 0.000 1.062 499 S CB 0.717 63.920 63.200 0.005 0.000 0.978 499 S HN 0.660 nan 8.310 nan 0.000 0.489 500 S N 0.075 115.778 115.700 0.005 0.000 2.786 500 S HA 0.907 5.381 4.470 0.006 0.000 0.307 500 S C 0.303 174.906 174.600 0.005 0.000 1.121 500 S CA -0.027 58.176 58.200 0.005 0.000 0.975 500 S CB 0.530 63.733 63.200 0.005 0.000 1.220 500 S HN 2.129 nan 8.310 nan 0.000 0.550 501 I N -1.146 119.427 120.570 0.006 0.000 2.727 501 I HA 0.757 4.931 4.170 0.006 0.000 0.324 501 I C -1.750 174.372 176.117 0.008 0.000 1.479 501 I CA 0.036 61.340 61.300 0.007 0.000 0.802 501 I CB 0.381 38.385 38.000 0.006 0.000 1.934 501 I HN 0.675 nan 8.210 nan 0.000 0.587 502 P HA 0.482 nan 4.420 nan 0.000 0.266 502 P C 1.493 178.799 177.300 0.010 0.000 1.561 502 P CA 1.172 64.278 63.100 0.010 0.000 1.089 502 P CB -0.011 31.694 31.700 0.009 0.000 1.534 503 G N -1.376 107.430 108.800 0.009 0.000 2.422 503 G HA2 0.043 4.007 3.960 0.006 0.000 0.218 503 G HA3 0.043 4.007 3.960 0.006 0.000 0.218 503 G C 1.468 176.375 174.900 0.012 0.000 1.140 503 G CA 1.548 46.654 45.100 0.010 0.000 0.775 503 G HN 0.418 nan 8.290 nan 0.000 0.545 504 F N 1.231 121.189 119.950 0.013 0.000 2.026 504 F HA 0.460 4.991 4.527 0.006 0.000 0.296 504 F C 0.028 175.839 175.800 0.019 0.000 1.133 504 F CA 1.612 59.622 58.000 0.016 0.000 1.188 504 F CB -1.357 37.653 39.000 0.017 0.000 0.968 504 F HN 0.644 nan 8.300 nan 0.000 0.476 505 P HA 0.671 nan 4.420 nan 0.000 0.402 505 P C -0.484 176.829 177.300 0.022 0.000 1.594 505 P CA 1.109 64.223 63.100 0.023 0.000 1.455 505 P CB 0.442 32.161 31.700 0.031 0.000 2.929 506 N N -1.414 117.297 118.700 0.019 0.000 1.801 506 N HA 0.400 5.144 4.740 0.006 0.000 0.197 506 N C 0.690 176.208 175.510 0.013 0.000 0.799 506 N CA 1.981 55.042 53.050 0.018 0.000 1.298 506 N CB -1.699 36.805 38.487 0.028 0.000 1.565 506 N HN 2.330 nan 8.380 nan 0.000 0.408 507 M N -0.817 118.791 119.600 0.013 0.000 2.274 507 M HA 1.001 5.484 4.480 0.006 0.000 0.272 507 M C 0.412 176.716 176.300 0.008 0.000 1.053 507 M CA 1.484 56.789 55.300 0.009 0.000 0.978 507 M CB -0.131 32.473 32.600 0.008 0.000 1.836 507 M HN 3.247 nan 8.290 nan 0.000 0.484 508 Q N -0.477 119.327 119.800 0.006 0.000 3.231 508 Q HA 0.574 4.917 4.340 0.006 0.000 0.028 508 Q C -0.228 175.773 176.000 0.002 0.000 1.708 508 Q CA 0.587 56.393 55.803 0.004 0.000 0.242 508 Q CB -2.224 26.517 28.738 0.005 0.000 0.586 508 Q HN 3.159 nan 8.270 nan 0.000 0.322 509 A N 1.174 123.995 122.820 0.001 0.000 2.346 509 A HA 1.048 5.372 4.320 0.006 0.000 0.313 509 A C 0.277 177.860 177.584 -0.002 0.000 1.140 509 A CA 0.151 52.187 52.037 -0.002 0.000 0.826 509 A CB 1.950 20.950 19.000 -0.000 0.000 1.332 509 A HN 2.107 nan 8.150 nan 0.000 0.457 510 S N -0.780 114.917 115.700 -0.005 0.000 2.627 510 S HA 0.733 5.206 4.470 0.006 0.000 0.283 510 S C -0.641 173.958 174.600 -0.002 0.000 1.127 510 S CA -0.844 57.355 58.200 -0.003 0.000 0.863 510 S CB 1.756 64.951 63.200 -0.007 0.000 1.121 510 S HN 0.865 nan 8.310 nan 0.000 0.479 511 R N -0.067 120.434 120.500 0.002 0.000 2.854 511 R HA 0.861 5.204 4.340 0.006 0.000 0.271 511 R C -0.739 175.565 176.300 0.006 0.000 0.996 511 R CA -1.110 54.992 56.100 0.004 0.000 0.961 511 R CB 1.122 31.426 30.300 0.007 0.000 1.182 511 R HN 0.584 nan 8.270 nan 0.000 0.479 512 A N 1.162 123.987 122.820 0.007 0.000 2.451 512 A HA 0.557 4.881 4.320 0.006 0.000 0.266 512 A C -0.252 177.342 177.584 0.015 0.000 1.119 512 A CA 0.022 52.066 52.037 0.010 0.000 0.786 512 A CB 0.005 19.012 19.000 0.011 0.000 1.061 512 A HN 0.872 nan 8.150 nan 0.000 0.503 513 A N 2.334 125.165 122.820 0.018 0.000 2.435 513 A HA 0.802 5.126 4.320 0.006 0.000 0.296 513 A C 0.278 177.878 177.584 0.028 0.000 1.147 513 A CA -0.533 51.518 52.037 0.022 0.000 0.775 513 A CB 0.815 19.828 19.000 0.022 0.000 1.340 513 A HN 0.844 nan 8.150 nan 0.000 0.427 514 S N -0.478 115.241 115.700 0.031 0.000 2.580 514 S HA 0.534 5.008 4.470 0.006 0.000 0.274 514 S C 0.739 175.366 174.600 0.045 0.000 1.329 514 S CA 0.148 58.371 58.200 0.039 0.000 1.036 514 S CB 1.208 64.431 63.200 0.039 0.000 0.919 514 S HN 1.135 nan 8.310 nan 0.000 0.515 515 G N 0.364 109.198 108.800 0.057 0.000 2.890 515 G HA2 0.679 4.643 3.960 0.006 0.000 0.189 515 G HA3 0.679 4.643 3.960 0.006 0.000 0.189 515 G C -0.358 174.594 174.900 0.086 0.000 1.342 515 G CA -0.501 44.643 45.100 0.073 0.000 1.026 515 G HN 0.924 nan 8.290 nan 0.000 0.579 516 A N -0.775 122.117 122.820 0.119 0.000 2.386 516 A HA 0.577 4.901 4.320 0.006 0.000 0.248 516 A C 0.096 177.765 177.584 0.143 0.000 1.082 516 A CA 0.163 52.273 52.037 0.121 0.000 0.789 516 A CB 0.252 19.326 19.000 0.122 0.000 1.025 516 A HN 0.464 nan 8.150 nan 0.000 0.490 517 K N 0.427 120.895 120.400 0.113 0.000 2.270 517 K HA 0.601 4.925 4.320 0.006 0.000 0.255 517 K C -1.531 175.139 176.600 0.117 0.000 0.936 517 K CA -0.508 55.849 56.287 0.116 0.000 0.809 517 K CB 2.292 34.841 32.500 0.082 0.000 1.131 517 K HN 0.385 nan 8.250 nan 0.000 0.427 518 V N 2.969 122.972 119.914 0.150 0.000 2.540 518 V HA 0.327 4.451 4.120 0.006 0.000 0.302 518 V C -0.717 175.465 176.094 0.146 0.000 1.035 518 V CA -0.740 61.650 62.300 0.151 0.000 0.873 518 V CB 1.630 33.530 31.823 0.127 0.000 0.992 518 V HN 0.886 nan 8.190 nan 0.000 0.428 519 E N 3.536 123.762 120.200 0.043 0.000 2.293 519 E HA 0.882 5.235 4.350 0.006 0.000 0.270 519 E C -0.301 176.064 176.600 -0.392 0.000 0.879 519 E CA -0.691 55.600 56.400 -0.181 0.000 0.756 519 E CB 2.821 32.456 29.700 -0.108 0.000 1.208 519 E HN 0.801 nan 8.360 nan 0.000 0.428 520 G N 1.762 109.916 108.800 -1.078 0.000 2.494 520 G HA2 0.462 4.425 3.960 0.006 0.000 0.308 520 G HA3 0.462 4.425 3.960 0.006 0.000 0.308 520 G C -1.272 173.179 174.900 -0.747 0.000 1.263 520 G CA -0.518 44.128 45.100 -0.757 0.000 0.840 520 G HN 0.823 nan 8.290 nan 0.000 0.479 521 I N -2.382 118.101 120.570 -0.146 0.000 2.785 521 I HA 0.841 5.015 4.170 0.006 0.000 0.302 521 I C -1.960 174.341 176.117 0.306 0.000 1.069 521 I CA -0.881 60.480 61.300 0.101 0.000 1.045 521 I CB 2.850 40.934 38.000 0.140 0.000 1.236 521 I HN 0.374 nan 8.210 nan 0.000 0.429 522 D N 5.658 126.241 120.400 0.306 0.000 2.479 522 D HA 0.497 5.141 4.640 0.006 0.000 0.246 522 D C -1.540 174.895 176.300 0.226 0.000 1.336 522 D CA -0.175 53.994 54.000 0.281 0.000 0.967 522 D CB 1.802 42.793 40.800 0.318 0.000 1.275 522 D HN 0.624 nan 8.370 nan 0.000 0.577 523 L N 2.322 123.680 121.223 0.224 0.000 2.362 523 L HA 0.650 4.993 4.340 0.006 0.000 0.271 523 L C -0.007 176.967 176.870 0.173 0.000 1.002 523 L CA -0.793 54.175 54.840 0.212 0.000 0.818 523 L CB 2.479 44.693 42.059 0.259 0.000 1.298 523 L HN 0.278 nan 8.230 nan 0.000 0.420 524 E N 1.695 121.979 120.200 0.140 0.000 2.366 524 E HA 0.799 5.153 4.350 0.006 0.000 0.278 524 E C -1.927 174.731 176.600 0.096 0.000 0.923 524 E CA -0.747 55.713 56.400 0.101 0.000 0.761 524 E CB 2.750 32.490 29.700 0.067 0.000 1.231 524 E HN 0.711 nan 8.360 nan 0.000 0.443 525 A N 2.082 124.948 122.820 0.076 0.000 2.437 525 A HA 0.694 5.018 4.320 0.006 0.000 0.293 525 A C -1.376 176.239 177.584 0.051 0.000 1.038 525 A CA -0.516 51.561 52.037 0.067 0.000 0.708 525 A CB 1.883 20.918 19.000 0.058 0.000 1.251 525 A HN 0.361 nan 8.150 nan 0.000 0.409 526 S N 0.408 116.137 115.700 0.049 0.000 2.543 526 S HA 0.923 5.397 4.470 0.006 0.000 0.271 526 S C 0.131 174.766 174.600 0.059 0.000 1.148 526 S CA 0.095 58.337 58.200 0.070 0.000 0.914 526 S CB 1.725 64.960 63.200 0.059 0.000 1.096 526 S HN 2.525 nan 8.310 nan 0.000 0.471 527 G N 1.751 110.597 108.800 0.077 0.000 2.250 527 G HA2 0.106 4.070 3.960 0.006 0.000 0.252 527 G HA3 0.106 4.070 3.960 0.006 0.000 0.252 527 G C -1.826 173.034 174.900 -0.067 0.000 1.325 527 G CA -0.835 44.284 45.100 0.031 0.000 1.091 527 G HN 0.683 nan 8.290 nan 0.000 0.476 528 Q N 0.111 119.865 119.800 -0.076 0.000 2.372 528 Q HA 0.606 4.950 4.340 0.006 0.000 0.259 528 Q C 0.978 176.886 176.000 -0.154 0.000 0.993 528 Q CA -0.628 55.109 55.803 -0.110 0.000 0.854 528 Q CB 1.170 29.885 28.738 -0.040 0.000 1.231 528 Q HN 0.462 nan 8.270 nan 0.000 0.462 529 I N 3.163 123.547 120.570 -0.309 0.000 2.233 529 I HA -0.123 4.051 4.170 0.006 0.000 0.243 529 I C 0.405 176.450 176.117 -0.121 0.000 1.093 529 I CA 1.079 62.165 61.300 -0.357 0.000 1.380 529 I CB 0.165 37.656 38.000 -0.848 0.000 1.067 529 I HN 0.450 nan 8.210 nan 0.000 0.413 530 L N -1.412 119.839 121.223 0.046 0.000 2.341 530 L HA 0.476 4.820 4.340 0.006 0.000 0.254 530 L C -2.601 174.372 176.870 0.172 0.000 1.040 530 L CA -2.170 52.763 54.840 0.155 0.000 0.837 530 L CB 1.251 43.485 42.059 0.292 0.000 1.425 530 L HN -0.338 nan 8.230 nan 0.000 0.414 531 P HA 0.063 nan 4.420 nan 0.000 0.265 531 P C -0.666 176.737 177.300 0.172 0.000 1.187 531 P CA 0.559 63.728 63.100 0.114 0.000 0.766 531 P CB 0.306 32.052 31.700 0.077 0.000 0.820 532 D N -1.296 119.180 120.400 0.125 0.000 2.911 532 D HA -0.171 4.472 4.640 0.006 0.000 0.199 532 D C -0.697 175.771 176.300 0.281 0.000 1.041 532 D CA 1.259 55.322 54.000 0.106 0.000 1.013 532 D CB -1.464 39.328 40.800 -0.012 0.000 1.093 532 D HN 0.437 nan 8.370 nan 0.000 0.431 533 W N 2.465 123.821 121.300 0.094 0.000 2.391 533 W HA 0.494 5.158 4.660 0.006 0.000 0.312 533 W C -0.869 175.621 176.519 -0.049 0.000 1.003 533 W CA -0.875 56.529 57.345 0.099 0.000 1.375 533 W CB 0.113 29.647 29.460 0.124 0.000 1.253 533 W HN -0.300 nan 8.180 nan 0.000 0.416 534 N N 5.113 123.849 118.700 0.061 0.000 2.456 534 N HA 0.604 5.348 4.740 0.006 0.000 0.296 534 N C -1.198 174.114 175.510 -0.330 0.000 1.102 534 N CA -0.466 52.366 53.050 -0.363 0.000 0.924 534 N CB 2.241 40.174 38.487 -0.923 0.000 1.186 534 N HN 0.516 nan 8.380 nan 0.000 0.492 535 I N -0.759 119.654 120.570 -0.261 0.000 2.802 535 I HA 0.617 4.790 4.170 0.006 0.000 0.298 535 I C -0.813 175.473 176.117 0.281 0.000 1.176 535 I CA -0.564 60.743 61.300 0.012 0.000 1.025 535 I CB 2.198 40.108 38.000 -0.150 0.000 1.243 535 I HN 0.509 nan 8.210 nan 0.000 0.424 536 G N 5.325 114.330 108.800 0.342 0.000 2.760 536 G HA2 0.792 4.756 3.960 0.006 0.000 0.285 536 G HA3 0.792 4.756 3.960 0.006 0.000 0.285 536 G C -1.726 173.240 174.900 0.110 0.000 1.496 536 G CA -0.230 45.001 45.100 0.218 0.000 1.026 536 G HN 0.819 nan 8.290 nan 0.000 0.536 537 A N 1.699 124.548 122.820 0.048 0.000 2.475 537 A HA 0.969 5.292 4.320 0.006 0.000 0.301 537 A C -0.164 177.414 177.584 -0.010 0.000 1.059 537 A CA -0.228 51.796 52.037 -0.021 0.000 0.710 537 A CB 1.975 20.989 19.000 0.025 0.000 1.288 537 A HN 2.083 nan 8.150 nan 0.000 0.408 538 S N 0.438 116.094 115.700 -0.074 0.000 2.547 538 S HA 0.732 5.206 4.470 0.006 0.000 0.270 538 S C -1.412 173.269 174.600 0.135 0.000 1.150 538 S CA -0.587 57.636 58.200 0.039 0.000 0.850 538 S CB 1.300 64.509 63.200 0.016 0.000 1.118 538 S HN 1.716 nan 8.310 nan 0.000 0.461 539 Y N 0.678 121.046 120.300 0.113 0.000 2.470 539 Y HA 0.673 5.227 4.550 0.006 0.000 0.341 539 Y C -1.212 174.793 175.900 0.175 0.000 1.021 539 Y CA -0.134 58.076 58.100 0.183 0.000 1.025 539 Y CB 2.355 40.974 38.460 0.266 0.000 1.266 539 Y HN 0.936 nan 8.280 nan 0.000 0.448 540 T N 5.135 119.290 114.554 -0.666 0.000 2.921 540 T HA 0.337 4.691 4.350 0.006 0.000 0.297 540 T C -2.093 172.313 174.700 -0.491 0.000 1.013 540 T CA -0.581 61.326 62.100 -0.321 0.000 0.990 540 T CB 0.971 69.840 68.868 0.002 0.000 1.023 540 T HN 0.692 nan 8.240 nan 0.000 0.447 541 H N 2.561 121.492 119.070 -0.231 0.000 2.771 541 H HA 0.690 5.250 4.556 0.006 0.000 0.361 541 H C -1.472 173.888 175.328 0.054 0.000 1.108 541 H CA -0.948 54.999 56.048 -0.168 0.000 1.201 541 H CB 0.878 30.596 29.762 -0.073 0.000 1.681 541 H HN 0.597 nan 8.280 nan 0.000 0.534 542 F N 0.463 119.997 119.950 -0.694 0.000 2.662 542 F HA 0.709 5.239 4.527 0.006 0.000 0.312 542 F C -1.538 173.952 175.800 -0.517 0.000 1.113 542 F CA -0.933 56.791 58.000 -0.462 0.000 0.951 542 F CB 1.443 40.433 39.000 -0.018 0.000 1.344 542 F HN 0.422 nan 8.300 nan 0.000 0.462 543 T N 0.941 115.497 114.554 0.003 0.000 2.807 543 T HA 0.584 4.938 4.350 0.006 0.000 0.279 543 T C -0.531 174.263 174.700 0.157 0.000 0.993 543 T CA -0.634 61.475 62.100 0.016 0.000 0.970 543 T CB 1.385 70.256 68.868 0.005 0.000 0.950 543 T HN 0.902 nan 8.240 nan 0.000 0.441 544 T N 1.407 116.043 114.554 0.137 0.000 2.824 544 T HA 0.762 5.116 4.350 0.006 0.000 0.280 544 T C -0.576 174.158 174.700 0.057 0.000 0.995 544 T CA -0.901 61.261 62.100 0.104 0.000 1.009 544 T CB 1.237 70.159 68.868 0.090 0.000 0.955 544 T HN 0.482 nan 8.240 nan 0.000 0.452 545 K N 1.497 121.928 120.400 0.052 0.000 2.509 545 K HA 0.514 4.837 4.320 0.006 0.000 0.266 545 K C -1.053 175.573 176.600 0.043 0.000 0.987 545 K CA -1.065 55.246 56.287 0.040 0.000 0.868 545 K CB 1.614 34.135 32.500 0.036 0.000 1.421 545 K HN 0.849 nan 8.250 nan 0.000 0.444 546 D N -0.275 120.146 120.400 0.036 0.000 2.423 546 D HA 0.263 4.906 4.640 0.006 0.000 0.255 546 D C 0.840 177.163 176.300 0.038 0.000 1.174 546 D CA -0.554 53.469 54.000 0.038 0.000 1.008 546 D CB 0.645 41.464 40.800 0.031 0.000 1.101 546 D HN 0.459 nan 8.370 nan 0.000 0.516 547 A N 0.151 122.995 122.820 0.040 0.000 1.986 547 A HA -0.161 4.163 4.320 0.006 0.000 0.220 547 A C 1.910 179.511 177.584 0.028 0.000 1.171 547 A CA 2.220 54.279 52.037 0.038 0.000 0.640 547 A CB -1.037 17.985 19.000 0.037 0.000 0.811 547 A HN 0.650 nan 8.150 nan 0.000 0.451 548 S N -2.356 113.358 115.700 0.024 0.000 2.577 548 S HA 0.424 4.898 4.470 0.006 0.000 0.219 548 S C 1.171 175.781 174.600 0.015 0.000 0.962 548 S CA 0.969 59.179 58.200 0.017 0.000 0.921 548 S CB -0.143 63.066 63.200 0.015 0.000 0.789 548 S HN 1.960 nan 8.310 nan 0.000 0.497 549 G N 1.954 110.765 108.800 0.019 0.000 2.141 549 G HA2 -0.227 3.737 3.960 0.006 0.000 0.231 549 G HA3 -0.227 3.737 3.960 0.006 0.000 0.231 549 G C -0.269 174.640 174.900 0.014 0.000 0.984 549 G CA -0.087 45.023 45.100 0.016 0.000 0.660 549 G HN 0.849 nan 8.290 nan 0.000 0.525 550 N N 0.181 118.890 118.700 0.015 0.000 2.466 550 N HA 0.601 5.345 4.740 0.006 0.000 0.294 550 N C -3.181 172.338 175.510 0.016 0.000 1.129 550 N CA -1.888 51.170 53.050 0.013 0.000 0.931 550 N CB 2.191 40.684 38.487 0.010 0.000 1.193 550 N HN -0.008 nan 8.380 nan 0.000 0.500 551 P HA 0.092 nan 4.420 nan 0.000 0.268 551 P C -0.441 176.868 177.300 0.016 0.000 1.205 551 P CA 0.010 63.119 63.100 0.016 0.000 0.771 551 P CB 0.467 32.173 31.700 0.011 0.000 0.858 552 I N -0.809 119.773 120.570 0.020 0.000 2.474 552 I HA 0.544 4.718 4.170 0.006 0.000 0.294 552 I C -0.230 175.898 176.117 0.018 0.000 1.005 552 I CA -1.203 60.108 61.300 0.018 0.000 1.113 552 I CB 1.964 39.976 38.000 0.020 0.000 1.289 552 I HN 0.064 nan 8.210 nan 0.000 0.436 553 N N 4.375 123.083 118.700 0.012 0.000 2.492 553 N HA 0.331 5.074 4.740 0.006 0.000 0.260 553 N C -0.513 175.009 175.510 0.020 0.000 1.215 553 N CA 0.323 53.379 53.050 0.010 0.000 0.923 553 N CB 0.883 39.371 38.487 0.001 0.000 1.092 553 N HN 0.890 nan 8.380 nan 0.000 0.448 554 T N -0.123 114.451 114.554 0.033 0.000 2.901 554 T HA 0.410 4.763 4.350 0.006 0.000 0.293 554 T C 0.639 175.349 174.700 0.018 0.000 1.084 554 T CA -0.855 61.285 62.100 0.067 0.000 1.008 554 T CB 1.014 69.995 68.868 0.189 0.000 1.170 554 T HN 0.501 nan 8.240 nan 0.000 0.509 555 N N -0.603 118.058 118.700 -0.065 0.000 2.250 555 N HA 0.018 4.762 4.740 0.006 0.000 0.181 555 N C -0.105 175.331 175.510 -0.124 0.000 1.017 555 N CA 0.399 53.355 53.050 -0.157 0.000 0.866 555 N CB -0.696 37.622 38.487 -0.282 0.000 0.985 555 N HN 0.676 nan 8.380 nan 0.000 0.429 556 H N 1.256 120.346 119.070 0.032 0.000 2.972 556 H HA 0.123 4.683 4.556 0.007 0.000 0.343 556 H C -2.158 173.204 175.328 0.056 0.000 1.054 556 H CA -1.181 54.919 56.048 0.087 0.000 1.412 556 H CB -0.247 29.610 29.762 0.158 0.000 1.385 556 H HN 0.153 nan 8.280 nan 0.000 0.600 557 P HA 0.069 nan 4.420 nan 0.000 0.267 557 P C 0.123 177.293 177.300 -0.216 0.000 1.205 557 P CA 0.004 63.100 63.100 -0.007 0.000 0.765 557 P CB 0.780 32.487 31.700 0.012 0.000 0.828 558 R N 0.535 120.765 120.500 -0.450 0.000 2.280 558 R HA 0.192 4.536 4.340 0.006 0.000 0.195 558 R C 0.009 175.934 176.300 -0.626 0.000 0.935 558 R CA 0.437 55.936 56.100 -1.002 0.000 1.033 558 R CB 0.349 30.164 30.300 -0.809 0.000 0.964 558 R HN 0.378 nan 8.270 nan 0.000 0.489 559 S N 0.886 116.417 115.700 -0.282 0.000 2.594 559 S HA 0.503 4.977 4.470 0.006 0.000 0.296 559 S C -1.451 173.048 174.600 -0.168 0.000 1.124 559 S CA -0.719 57.378 58.200 -0.173 0.000 1.011 559 S CB 1.813 65.003 63.200 -0.015 0.000 1.016 559 S HN -0.067 nan 8.310 nan 0.000 0.485 560 L N 3.418 124.518 121.223 -0.206 0.000 2.410 560 L HA 0.657 5.001 4.340 0.006 0.000 0.270 560 L C -0.933 175.990 176.870 0.088 0.000 0.983 560 L CA -0.467 54.342 54.840 -0.051 0.000 0.822 560 L CB 0.993 43.042 42.059 -0.016 0.000 1.285 560 L HN 0.672 nan 8.230 nan 0.000 0.409 561 F N 2.880 122.895 119.950 0.109 0.000 2.518 561 F HA 0.752 5.282 4.527 0.006 0.000 0.323 561 F C -0.710 175.236 175.800 0.244 0.000 1.129 561 F CA -0.409 57.740 58.000 0.250 0.000 0.920 561 F CB 1.406 40.565 39.000 0.264 0.000 1.160 561 F HN 0.424 nan 8.300 nan 0.000 0.440 562 K N 7.069 127.125 120.400 -0.573 0.000 2.422 562 K HA 0.739 5.063 4.320 0.006 0.000 0.251 562 K C -1.888 174.325 176.600 -0.645 0.000 0.933 562 K CA -1.017 55.014 56.287 -0.428 0.000 0.798 562 K CB 3.062 35.498 32.500 -0.107 0.000 1.238 562 K HN 0.752 nan 8.250 nan 0.000 0.428 563 L N 2.485 123.524 121.223 -0.307 0.000 2.513 563 L HA 0.503 4.847 4.340 0.006 0.000 0.261 563 L C -2.094 174.852 176.870 0.127 0.000 0.945 563 L CA -0.755 54.025 54.840 -0.101 0.000 0.848 563 L CB 1.638 43.670 42.059 -0.045 0.000 1.334 563 L HN 0.779 nan 8.230 nan 0.000 0.407 564 Y N 2.778 123.133 120.300 0.092 0.000 2.433 564 Y HA 0.627 5.181 4.550 0.006 0.000 0.337 564 Y C -0.767 175.293 175.900 0.266 0.000 1.026 564 Y CA -0.243 57.961 58.100 0.173 0.000 1.037 564 Y CB 2.325 40.879 38.460 0.155 0.000 1.245 564 Y HN 0.555 nan 8.280 nan 0.000 0.443 565 T N 3.586 118.156 114.554 0.026 0.000 2.912 565 T HA 0.620 4.973 4.350 0.006 0.000 0.299 565 T C -1.090 173.709 174.700 0.164 0.000 1.052 565 T CA -0.376 61.841 62.100 0.194 0.000 0.996 565 T CB 0.976 70.010 68.868 0.276 0.000 1.070 565 T HN 0.743 nan 8.240 nan 0.000 0.465 566 T N 1.440 116.123 114.554 0.215 0.000 2.908 566 T HA 0.725 5.078 4.350 0.006 0.000 0.290 566 T C -1.581 173.292 174.700 0.288 0.000 1.034 566 T CA -0.750 61.472 62.100 0.204 0.000 1.010 566 T CB 1.697 70.674 68.868 0.181 0.000 1.068 566 T HN 0.579 nan 8.240 nan 0.000 0.481 567 Y N 1.396 121.711 120.300 0.024 0.000 2.332 567 Y HA 0.507 5.060 4.550 0.006 0.000 0.325 567 Y C -0.328 175.546 175.900 -0.043 0.000 1.054 567 Y CA -1.267 56.799 58.100 -0.058 0.000 1.119 567 Y CB 1.558 39.850 38.460 -0.281 0.000 1.168 567 Y HN 0.996 nan 8.280 nan 0.000 0.439 568 R N 6.847 127.068 120.500 -0.465 0.000 2.298 568 R HA 0.420 4.764 4.340 0.006 0.000 0.310 568 R C -0.827 174.986 176.300 -0.812 0.000 1.068 568 R CA -0.360 55.468 56.100 -0.452 0.000 0.957 568 R CB 0.434 30.591 30.300 -0.238 0.000 1.003 568 R HN 0.850 nan 8.270 nan 0.000 0.454 569 L N 7.395 128.307 121.223 -0.519 0.000 2.485 569 L HA 0.083 4.427 4.340 0.006 0.000 0.275 569 L C -1.077 175.654 176.870 -0.232 0.000 1.207 569 L CA -1.342 53.263 54.840 -0.391 0.000 0.855 569 L CB 0.728 42.696 42.059 -0.152 0.000 1.114 569 L HN 0.622 nan 8.230 nan 0.000 0.485 570 P HA -0.057 nan 4.420 nan 0.000 0.217 570 P C 0.738 178.029 177.300 -0.016 0.000 1.154 570 P CA 1.215 64.284 63.100 -0.053 0.000 0.841 570 P CB 0.517 32.230 31.700 0.021 0.000 0.788 571 G N -0.504 108.304 108.800 0.014 0.000 2.477 571 G HA2 0.351 4.315 3.960 0.006 0.000 0.197 571 G HA3 0.351 4.315 3.960 0.006 0.000 0.197 571 G C 1.436 176.389 174.900 0.088 0.000 1.860 571 G CA 0.545 45.656 45.100 0.018 0.000 0.714 571 G HN 0.180 nan 8.290 nan 0.000 0.782 572 A N -0.171 122.695 122.820 0.077 0.000 2.119 572 A HA 0.340 4.664 4.320 0.006 0.000 0.217 572 A C 1.972 179.616 177.584 0.099 0.000 1.153 572 A CA 0.755 52.853 52.037 0.102 0.000 0.692 572 A CB -0.343 18.691 19.000 0.056 0.000 0.799 572 A HN 0.295 nan 8.150 nan 0.000 0.458 573 L N 0.090 121.352 121.223 0.065 0.000 2.628 573 L HA 0.061 4.405 4.340 0.006 0.000 0.229 573 L C 2.004 178.845 176.870 -0.048 0.000 1.137 573 L CA 0.190 55.038 54.840 0.012 0.000 0.909 573 L CB -0.379 41.682 42.059 0.003 0.000 1.137 573 L HN 0.639 nan 8.230 nan 0.000 0.470 574 H N 0.500 119.517 119.070 -0.088 0.000 2.541 574 H HA -0.119 4.441 4.556 0.007 0.000 0.289 574 H C 1.415 176.638 175.328 -0.176 0.000 1.054 574 H CA 0.962 56.931 56.048 -0.132 0.000 1.250 574 H CB -0.076 29.620 29.762 -0.109 0.000 1.369 574 H HN 0.393 nan 8.280 nan 0.000 0.578 575 R N -0.044 120.036 120.500 -0.700 0.000 2.299 575 R HA 0.133 4.476 4.340 0.006 0.000 0.197 575 R C 0.025 176.009 176.300 -0.525 0.000 0.971 575 R CA -0.111 55.532 56.100 -0.761 0.000 1.030 575 R CB 0.237 29.876 30.300 -1.102 0.000 0.932 575 R HN 0.110 nan 8.270 nan 0.000 0.477 576 L N 0.866 121.944 121.223 -0.242 0.000 2.296 576 L HA 0.304 4.647 4.340 0.006 0.000 0.286 576 L C -0.736 176.069 176.870 -0.109 0.000 1.023 576 L CA 0.084 54.875 54.840 -0.081 0.000 0.812 576 L CB 2.021 44.091 42.059 0.019 0.000 1.223 576 L HN -0.180 nan 8.230 nan 0.000 0.421 577 T N 4.736 119.249 114.554 -0.068 0.000 2.829 577 T HA 0.690 5.043 4.350 0.006 0.000 0.280 577 T C -0.695 174.010 174.700 0.008 0.000 0.999 577 T CA -0.434 61.634 62.100 -0.053 0.000 0.983 577 T CB 1.518 70.373 68.868 -0.022 0.000 0.968 577 T HN 0.532 nan 8.240 nan 0.000 0.446 578 V N 0.351 120.279 119.914 0.024 0.000 2.769 578 V HA 1.105 5.229 4.120 0.006 0.000 0.312 578 V C -0.014 176.126 176.094 0.077 0.000 1.061 578 V CA -0.509 61.824 62.300 0.054 0.000 0.931 578 V CB 1.539 33.389 31.823 0.044 0.000 1.010 578 V HN 1.088 nan 8.190 nan 0.000 0.433 579 G N 0.408 109.247 108.800 0.064 0.000 2.606 579 G HA2 0.953 4.917 3.960 0.006 0.000 0.300 579 G HA3 0.953 4.917 3.960 0.006 0.000 0.300 579 G C -0.418 174.419 174.900 -0.105 0.000 1.360 579 G CA 0.009 45.117 45.100 0.013 0.000 0.783 579 G HN 1.991 nan 8.290 nan 0.000 0.484 580 G N -2.482 106.062 108.800 -0.427 0.000 2.320 580 G HA2 0.789 4.753 3.960 0.006 0.000 0.297 580 G HA3 0.789 4.753 3.960 0.006 0.000 0.297 580 G C -0.385 174.066 174.900 -0.749 0.000 1.344 580 G CA 0.644 45.419 45.100 -0.542 0.000 0.851 580 G HN 2.177 nan 8.290 nan 0.000 0.567 581 G N -2.289 106.306 108.800 -0.340 0.000 2.489 581 G HA2 0.734 4.697 3.960 0.006 0.000 0.305 581 G HA3 0.734 4.697 3.960 0.006 0.000 0.305 581 G C -1.876 173.085 174.900 0.102 0.000 1.311 581 G CA 0.347 45.386 45.100 -0.100 0.000 0.813 581 G HN 1.613 nan 8.290 nan 0.000 0.480 582 V N 0.298 120.316 119.914 0.174 0.000 2.760 582 V HA 0.634 4.758 4.120 0.006 0.000 0.309 582 V C -1.547 174.687 176.094 0.233 0.000 1.077 582 V CA -0.780 61.650 62.300 0.217 0.000 0.910 582 V CB 2.121 34.124 31.823 0.300 0.000 1.008 582 V HN 0.757 nan 8.190 nan 0.000 0.424 583 D N 2.944 123.495 120.400 0.252 0.000 2.454 583 D HA 0.245 4.889 4.640 0.006 0.000 0.247 583 D C -1.644 174.870 176.300 0.357 0.000 1.129 583 D CA -0.237 53.926 54.000 0.272 0.000 0.877 583 D CB 1.319 42.270 40.800 0.253 0.000 1.082 583 D HN 0.539 nan 8.370 nan 0.000 0.537 584 W N 4.879 126.271 121.300 0.152 0.000 2.391 584 W HA 0.386 5.050 4.660 0.006 0.000 0.312 584 W C -0.954 175.529 176.519 -0.061 0.000 1.003 584 W CA -0.692 56.705 57.345 0.087 0.000 1.375 584 W CB 0.682 30.282 29.460 0.233 0.000 1.253 584 W HN 0.271 nan 8.180 nan 0.000 0.416 585 Q N 2.371 122.114 119.800 -0.094 0.000 2.266 585 Q HA 0.623 4.967 4.340 0.006 0.000 0.261 585 Q C -0.779 175.049 176.000 -0.286 0.000 0.985 585 Q CA -0.259 55.324 55.803 -0.367 0.000 0.873 585 Q CB 2.250 30.519 28.738 -0.781 0.000 1.306 585 Q HN 0.245 nan 8.270 nan 0.000 0.447 586 S N 0.248 115.835 115.700 -0.188 0.000 2.668 586 S HA 0.734 5.208 4.470 0.006 0.000 0.277 586 S C -1.425 173.119 174.600 -0.092 0.000 1.170 586 S CA -0.601 57.536 58.200 -0.105 0.000 0.994 586 S CB 0.664 63.791 63.200 -0.121 0.000 1.051 586 S HN 0.646 nan 8.310 nan 0.000 0.484 587 R N 2.366 122.839 120.500 -0.046 0.000 2.220 587 R HA 0.797 5.141 4.340 0.006 0.000 0.340 587 R C 0.451 176.727 176.300 -0.039 0.000 1.076 587 R CA 0.259 56.332 56.100 -0.045 0.000 0.920 587 R CB -0.416 29.878 30.300 -0.010 0.000 1.062 587 R HN 1.112 nan 8.270 nan 0.000 0.469 595 D N -0.022 120.402 120.400 0.039 0.000 2.758 595 D HA 0.712 5.356 4.640 0.006 0.000 0.262 595 D C -0.812 175.544 176.300 0.094 0.000 1.113 595 D CA -0.810 53.231 54.000 0.068 0.000 1.114 595 D CB 1.946 42.788 40.800 0.071 0.000 1.363 595 D HN 0.148 nan 8.370 nan 0.000 0.617 596 S N -1.443 114.340 115.700 0.138 0.000 2.542 596 S HA 0.527 5.000 4.470 0.006 0.000 0.276 596 S C -2.048 172.690 174.600 0.229 0.000 1.148 596 S CA -0.870 57.447 58.200 0.196 0.000 0.886 596 S CB 0.477 63.854 63.200 0.296 0.000 1.109 596 S HN 0.574 nan 8.310 nan 0.000 0.458 597 Y N 0.648 121.074 120.300 0.210 0.000 2.442 597 Y HA 0.889 5.444 4.550 0.008 0.000 0.344 597 Y C -0.743 175.226 175.900 0.116 0.000 0.976 597 Y CA -1.308 56.864 58.100 0.121 0.000 1.040 597 Y CB 1.157 39.672 38.460 0.090 0.000 1.228 597 Y HN 0.692 nan 8.280 nan 0.000 0.451 598 A N 4.710 127.629 122.820 0.165 0.000 2.340 598 A HA 0.598 4.921 4.320 0.006 0.000 0.297 598 A C -1.880 175.771 177.584 0.112 0.000 1.195 598 A CA -0.678 51.375 52.037 0.027 0.000 0.769 598 A CB 0.871 19.624 19.000 -0.412 0.000 1.163 598 A HN 0.864 nan 8.150 nan 0.000 0.472 599 L N 4.098 125.443 121.223 0.203 0.000 2.315 599 L HA 0.508 4.852 4.340 0.006 0.000 0.283 599 L C -0.536 176.407 176.870 0.122 0.000 1.089 599 L CA 0.328 55.259 54.840 0.151 0.000 0.833 599 L CB 0.845 43.010 42.059 0.177 0.000 1.170 599 L HN 0.417 nan 8.230 nan 0.000 0.442 600 V N 4.800 124.762 119.914 0.080 0.000 2.483 600 V HA 0.791 4.915 4.120 0.006 0.000 0.295 600 V C -0.012 176.139 176.094 0.095 0.000 1.035 600 V CA -0.143 62.199 62.300 0.071 0.000 0.896 600 V CB 1.722 33.556 31.823 0.019 0.000 0.986 600 V HN 0.954 nan 8.190 nan 0.000 0.447 601 S N 5.148 120.917 115.700 0.115 0.000 2.579 601 S HA 0.881 5.355 4.470 0.006 0.000 0.272 601 S C -1.421 173.243 174.600 0.106 0.000 1.141 601 S CA -0.775 57.514 58.200 0.148 0.000 0.843 601 S CB 1.871 65.224 63.200 0.254 0.000 1.122 601 S HN 0.476 nan 8.310 nan 0.000 0.468 602 L N 1.599 122.892 121.223 0.117 0.000 2.393 602 L HA 0.818 5.162 4.340 0.006 0.000 0.260 602 L C -1.033 175.919 176.870 0.137 0.000 1.002 602 L CA -0.900 53.989 54.840 0.080 0.000 0.818 602 L CB 2.232 44.320 42.059 0.048 0.000 1.369 602 L HN 0.981 nan 8.230 nan 0.000 0.412 603 M N 1.723 121.402 119.600 0.133 0.000 2.569 603 M HA 0.972 5.455 4.480 0.006 0.000 0.279 603 M C -1.544 174.821 176.300 0.109 0.000 1.253 603 M CA -0.450 54.943 55.300 0.154 0.000 0.867 603 M CB 2.306 35.053 32.600 0.246 0.000 1.727 603 M HN 0.450 nan 8.290 nan 0.000 0.467 604 A N 1.340 124.220 122.820 0.098 0.000 2.486 604 A HA 0.939 5.263 4.320 0.006 0.000 0.300 604 A C -1.411 176.225 177.584 0.087 0.000 1.048 604 A CA -0.796 51.289 52.037 0.079 0.000 0.696 604 A CB 1.669 20.703 19.000 0.057 0.000 1.278 604 A HN 1.031 nan 8.150 nan 0.000 0.405 605 R N 1.226 121.770 120.500 0.074 0.000 2.599 605 R HA 0.692 5.036 4.340 0.006 0.000 0.295 605 R C -2.052 174.279 176.300 0.052 0.000 0.963 605 R CA -0.464 55.676 56.100 0.067 0.000 0.883 605 R CB 1.154 31.485 30.300 0.052 0.000 1.171 605 R HN 0.650 nan 8.270 nan 0.000 0.450 606 F N 3.452 123.313 119.950 -0.149 0.000 2.449 606 F HA 0.368 4.899 4.527 0.006 0.000 0.342 606 F C -0.843 174.758 175.800 -0.332 0.000 1.127 606 F CA -0.843 56.972 58.000 -0.309 0.000 0.975 606 F CB 1.548 40.245 39.000 -0.504 0.000 1.146 606 F HN 0.505 nan 8.300 nan 0.000 0.444 607 D N 7.538 127.427 120.400 -0.851 0.000 2.441 607 D HA 0.083 4.727 4.640 0.006 0.000 0.221 607 D C 0.998 176.865 176.300 -0.723 0.000 1.156 607 D CA 0.189 53.861 54.000 -0.546 0.000 0.896 607 D CB 0.569 41.142 40.800 -0.379 0.000 1.028 607 D HN 0.488 nan 8.370 nan 0.000 0.509 608 F N 1.655 121.478 119.950 -0.212 0.000 2.075 608 F HA -0.184 4.347 4.527 0.006 0.000 0.297 608 F C 1.758 177.516 175.800 -0.071 0.000 1.113 608 F CA 1.009 59.000 58.000 -0.014 0.000 1.218 608 F CB 0.009 39.089 39.000 0.132 0.000 0.984 608 F HN 0.356 nan 8.300 nan 0.000 0.472 609 N N -1.834 116.950 118.700 0.140 0.000 3.479 609 N HA 0.191 4.935 4.740 0.006 0.000 0.336 609 N C 0.209 175.733 175.510 0.024 0.000 1.623 609 N CA -0.681 52.400 53.050 0.053 0.000 0.759 609 N CB 1.231 39.761 38.487 0.072 0.000 2.016 609 N HN -0.203 nan 8.380 nan 0.000 0.637 610 K N -0.166 120.246 120.400 0.021 0.000 2.362 610 K HA 0.062 4.386 4.320 0.006 0.000 0.200 610 K C 0.679 177.298 176.600 0.032 0.000 1.046 610 K CA 1.074 57.371 56.287 0.016 0.000 0.952 610 K CB 0.098 32.605 32.500 0.011 0.000 0.753 610 K HN 0.366 nan 8.250 nan 0.000 0.466 611 K N -0.037 120.392 120.400 0.048 0.000 2.413 611 K HA 0.143 4.467 4.320 0.006 0.000 0.204 611 K C -0.902 175.756 176.600 0.097 0.000 1.041 611 K CA -0.159 56.165 56.287 0.062 0.000 1.082 611 K CB 0.806 33.331 32.500 0.041 0.000 0.871 611 K HN -0.089 nan 8.250 nan 0.000 0.535 612 L N 0.752 122.048 121.223 0.123 0.000 2.614 612 L HA 0.259 4.603 4.340 0.006 0.000 0.264 612 L C -1.520 175.531 176.870 0.302 0.000 0.940 612 L CA -0.142 54.806 54.840 0.180 0.000 0.903 612 L CB 1.953 44.093 42.059 0.134 0.000 1.306 612 L HN 0.103 nan 8.230 nan 0.000 0.410 613 S N 3.247 119.128 115.700 0.301 0.000 2.588 613 S HA 1.016 5.490 4.470 0.006 0.000 0.275 613 S C -0.861 173.946 174.600 0.346 0.000 1.130 613 S CA -0.287 58.097 58.200 0.306 0.000 0.855 613 S CB 1.874 65.147 63.200 0.121 0.000 1.116 613 S HN 1.144 nan 8.310 nan 0.000 0.472 614 A N 1.174 124.196 122.820 0.338 0.000 2.342 614 A HA 0.844 5.168 4.320 0.006 0.000 0.323 614 A C -0.329 177.361 177.584 0.177 0.000 1.125 614 A CA -0.720 51.494 52.037 0.295 0.000 0.785 614 A CB 1.274 20.505 19.000 0.385 0.000 1.221 614 A HN 0.817 nan 8.150 nan 0.000 0.463 615 T N 2.063 116.709 114.554 0.153 0.000 2.848 615 T HA 0.533 4.886 4.350 0.006 0.000 0.285 615 T C -1.069 173.701 174.700 0.117 0.000 0.995 615 T CA -0.233 61.943 62.100 0.126 0.000 0.970 615 T CB 1.186 70.127 68.868 0.123 0.000 0.976 615 T HN 0.597 nan 8.240 nan 0.000 0.441 616 L N 3.818 125.103 121.223 0.104 0.000 2.325 616 L HA 0.620 4.964 4.340 0.006 0.000 0.281 616 L C -1.014 175.917 176.870 0.100 0.000 1.004 616 L CA -0.332 54.564 54.840 0.092 0.000 0.823 616 L CB 1.045 43.147 42.059 0.071 0.000 1.236 616 L HN 0.538 nan 8.230 nan 0.000 0.415 617 N N 3.386 122.146 118.700 0.099 0.000 2.372 617 N HA 0.666 5.410 4.740 0.006 0.000 0.291 617 N C -1.484 174.076 175.510 0.083 0.000 1.024 617 N CA -0.522 52.592 53.050 0.107 0.000 0.873 617 N CB 2.393 40.945 38.487 0.108 0.000 1.206 617 N HN 0.294 nan 8.380 nan 0.000 0.486 618 V N 2.169 122.135 119.914 0.087 0.000 2.444 618 V HA 0.448 4.572 4.120 0.006 0.000 0.294 618 V C -0.600 175.543 176.094 0.083 0.000 1.022 618 V CA -0.802 61.537 62.300 0.065 0.000 0.850 618 V CB 1.271 33.121 31.823 0.045 0.000 0.992 618 V HN 0.714 nan 8.190 nan 0.000 0.426 619 N N 3.261 122.007 118.700 0.076 0.000 2.319 619 N HA 0.516 5.260 4.740 0.006 0.000 0.305 619 N C 0.176 175.731 175.510 0.075 0.000 1.103 619 N CA -0.731 52.372 53.050 0.089 0.000 0.815 619 N CB 2.031 40.574 38.487 0.093 0.000 1.288 619 N HN 0.619 nan 8.380 nan 0.000 0.493 620 N N 0.843 119.587 118.700 0.072 0.000 2.742 620 N HA 0.398 5.142 4.740 0.006 0.000 0.233 620 N C 0.138 175.684 175.510 0.060 0.000 1.033 620 N CA 0.604 53.688 53.050 0.058 0.000 0.993 620 N CB 0.081 38.591 38.487 0.038 0.000 1.544 620 N HN 0.416 nan 8.380 nan 0.000 0.459 643 N N -0.096 118.599 118.700 -0.009 0.000 2.455 643 N HA 0.554 5.298 4.740 0.006 0.000 0.285 643 N C -2.012 173.488 175.510 -0.017 0.000 1.080 643 N CA -0.265 52.774 53.050 -0.017 0.000 0.932 643 N CB 2.497 41.083 38.487 0.164 0.000 1.610 643 N HN 0.786 nan 8.380 nan 0.000 0.493 644 V N 3.819 123.700 119.914 -0.056 0.000 2.531 644 V HA 0.585 4.709 4.120 0.006 0.000 0.301 644 V C -0.298 175.813 176.094 0.028 0.000 1.034 644 V CA -0.562 61.729 62.300 -0.015 0.000 0.865 644 V CB 1.568 33.366 31.823 -0.043 0.000 0.995 644 V HN 0.781 nan 8.190 nan 0.000 0.424 645 M N 5.370 125.008 119.600 0.064 0.000 2.395 645 M HA 0.625 5.109 4.480 0.006 0.000 0.307 645 M C -2.028 174.339 176.300 0.111 0.000 1.091 645 M CA -0.636 54.733 55.300 0.114 0.000 0.919 645 M CB 2.133 34.807 32.600 0.123 0.000 1.662 645 M HN 0.577 nan 8.290 nan 0.000 0.440 646 L N 4.817 126.115 121.223 0.124 0.000 2.356 646 L HA 0.562 4.905 4.340 0.006 0.000 0.277 646 L C -1.211 175.735 176.870 0.126 0.000 0.996 646 L CA -0.352 54.555 54.840 0.112 0.000 0.822 646 L CB 1.615 43.729 42.059 0.092 0.000 1.256 646 L HN 0.766 nan 8.230 nan 0.000 0.413 647 N N 4.199 122.977 118.700 0.130 0.000 2.258 647 N HA 0.399 5.143 4.740 0.006 0.000 0.299 647 N C -1.758 173.839 175.510 0.144 0.000 1.047 647 N CA -0.596 52.534 53.050 0.132 0.000 0.814 647 N CB 2.612 41.179 38.487 0.134 0.000 1.413 647 N HN 0.426 nan 8.380 nan 0.000 0.478 648 L N 2.800 124.105 121.223 0.136 0.000 2.307 648 L HA 0.514 4.858 4.340 0.006 0.000 0.284 648 L C -0.295 176.664 176.870 0.147 0.000 1.023 648 L CA -0.490 54.440 54.840 0.151 0.000 0.810 648 L CB 1.059 43.187 42.059 0.115 0.000 1.231 648 L HN 0.542 nan 8.230 nan 0.000 0.423 649 R N 3.946 124.542 120.500 0.160 0.000 2.445 649 R HA 0.864 5.208 4.340 0.006 0.000 0.308 649 R C -1.492 174.905 176.300 0.162 0.000 0.961 649 R CA -0.423 55.769 56.100 0.152 0.000 0.862 649 R CB 1.519 31.897 30.300 0.130 0.000 1.144 649 R HN 0.800 nan 8.270 nan 0.000 0.447 650 A N 4.478 127.414 122.820 0.195 0.000 2.356 650 A HA 0.432 4.756 4.320 0.006 0.000 0.310 650 A C -1.322 176.418 177.584 0.261 0.000 1.075 650 A CA -0.790 51.374 52.037 0.212 0.000 0.746 650 A CB 1.562 20.687 19.000 0.209 0.000 1.221 650 A HN 0.794 nan 8.150 nan 0.000 0.443 651 Q N 1.582 121.505 119.800 0.205 0.000 2.423 651 Q HA 0.590 4.934 4.340 0.006 0.000 0.278 651 Q C -0.958 175.184 176.000 0.238 0.000 1.097 651 Q CA -0.799 55.124 55.803 0.201 0.000 0.809 651 Q CB 1.621 30.427 28.738 0.115 0.000 1.391 651 Q HN 0.724 nan 8.270 nan 0.000 0.428 652 Y N 0.000 120.398 120.300 0.164 0.000 2.660 652 Y HA 0.000 4.554 4.550 0.006 0.000 0.201 652 Y CA 0.000 58.218 58.100 0.197 0.000 1.940 652 Y CB 0.000 38.638 38.460 0.297 0.000 1.050 652 Y HN 0.000 nan 8.280 nan 0.000 0.758