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 1ejs_1_C DATA FIRST_RESID 1002 DATA SEQUENCE SNISRQAYAD MFGPTVGDKV RLADTELWIE VEDDLTTYGE EVKFGGGKVI DATA SEQUENCE RDGMGQGQML AADCVDLVLT NALIVDHWGI VKADIGVKDG RIFAIGKAGN DATA SEQUENCE PDIQPNVTIP IGAATEVIAA EGKIVTAGGI DTHIHWICPQ QAEEALVSGV DATA SEQUENCE TTMVGGGTGP AAGTHATTCT PGPWYISRML QAADSLPVNI GLLGKGNVSQ DATA SEQUENCE PDALREQVAA GVIGLXINED WGATPAAIDC ALTVADEMDI QVALHSDTLN DATA SEQUENCE ESGFVEDTLA AIGGRTIHTF HTEGAGGGHA PDIITACAHP NILPSSTNPT DATA SEQUENCE LPYTLNTIDE HLDMLMVCHH LDPDIAEDVA FAESRIRRET IAAEDVLHDL DATA SEQUENCE GAFSLTSSDS QAMGRVGEVI LRTWQVAHRM KVQRGALAEE TGDNDNFRVK DATA SEQUENCE RYIAKYTINP ALTHGIAHEV GSIEVGKLAD LVVWSPAFFG VKPATVIKGG DATA SEQUENCE MIAIAPMGDI NASIPTPQPV HYRPMFGALG SARHHCRLTF LSQAAAANGV DATA SEQUENCE AERLNLRSAI AVVKGCRTVQ KADMVHNSLQ PNITVDAQTY EVRVDGELIT DATA SEQUENCE SEPADVLPMA QRYFLF 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 1002 S HA 0.000 nan 4.470 nan 0.000 0.327 1002 S C 0.000 174.616 174.600 0.027 0.000 1.055 1002 S CA 0.000 58.218 58.200 0.031 0.000 1.107 1002 S CB 0.000 63.225 63.200 0.042 0.000 0.593 1003 N N 1.580 120.296 118.700 0.026 0.000 2.405 1003 N HA 0.717 5.457 4.740 -0.000 0.000 0.285 1003 N C -1.516 174.014 175.510 0.034 0.000 1.262 1003 N CA -0.620 52.439 53.050 0.015 0.000 0.773 1003 N CB 2.277 40.765 38.487 0.002 0.000 1.490 1003 N HN 0.678 nan 8.380 nan 0.000 0.486 1004 I N 0.379 120.968 120.570 0.032 0.000 2.775 1004 I HA 0.187 4.357 4.170 -0.000 0.000 0.295 1004 I C -0.275 175.871 176.117 0.048 0.000 1.287 1004 I CA -0.445 60.898 61.300 0.073 0.000 1.029 1004 I CB 1.946 40.042 38.000 0.160 0.000 1.282 1004 I HN 0.649 nan 8.210 nan 0.000 0.426 1005 S N 5.945 121.678 115.700 0.055 0.000 2.585 1005 S HA 0.334 4.804 4.470 -0.000 0.000 0.273 1005 S C 0.966 175.604 174.600 0.064 0.000 1.339 1005 S CA -0.366 57.856 58.200 0.036 0.000 1.028 1005 S CB 1.452 64.672 63.200 0.033 0.000 0.906 1005 S HN 0.821 nan 8.310 nan 0.000 0.528 1006 R N 0.389 120.903 120.500 0.022 0.000 2.152 1006 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 1006 R C 2.311 178.679 176.300 0.113 0.000 1.117 1006 R CA 1.463 57.585 56.100 0.036 0.000 0.981 1006 R CB -0.352 29.936 30.300 -0.021 0.000 0.870 1006 R HN 0.761 nan 8.270 nan 0.000 0.451 1007 Q N 0.738 120.587 119.800 0.083 0.000 2.049 1007 Q HA -0.020 4.320 4.340 -0.000 0.000 0.198 1007 Q C 1.924 177.980 176.000 0.093 0.000 0.971 1007 Q CA 1.939 57.791 55.803 0.082 0.000 0.833 1007 Q CB -0.236 28.532 28.738 0.050 0.000 0.896 1007 Q HN 0.274 nan 8.270 nan 0.000 0.434 1008 A N -0.595 122.279 122.820 0.090 0.000 1.933 1008 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 1008 A C 2.064 179.708 177.584 0.101 0.000 1.175 1008 A CA 1.486 53.564 52.037 0.070 0.000 0.628 1008 A CB -1.101 17.938 19.000 0.066 0.000 0.814 1008 A HN 0.610 nan 8.150 nan 0.000 0.444 1009 Y N 0.526 120.874 120.300 0.081 0.000 2.114 1009 Y HA -0.141 4.409 4.550 -0.000 0.000 0.284 1009 Y C 2.709 178.715 175.900 0.177 0.000 1.143 1009 Y CA 1.646 59.861 58.100 0.191 0.000 1.135 1009 Y CB -0.446 38.101 38.460 0.144 0.000 0.980 1009 Y HN 0.321 nan 8.280 nan 0.000 0.499 1010 A N 0.076 123.096 122.820 0.333 0.000 1.917 1010 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 1010 A C 1.840 179.466 177.584 0.071 0.000 1.182 1010 A CA 2.205 54.378 52.037 0.226 0.000 0.633 1010 A CB -0.892 18.214 19.000 0.177 0.000 0.819 1010 A HN 0.565 nan 8.150 nan 0.000 0.448 1011 D N -1.339 119.072 120.400 0.017 0.000 2.219 1011 D HA -0.065 4.575 4.640 -0.000 0.000 0.205 1011 D C 1.882 178.084 176.300 -0.163 0.000 0.970 1011 D CA 1.106 55.077 54.000 -0.048 0.000 0.851 1011 D CB -0.169 40.608 40.800 -0.039 0.000 0.943 1011 D HN 0.509 nan 8.370 nan 0.000 0.488 1012 M N -1.458 117.952 119.600 -0.317 0.000 2.325 1012 M HA 0.047 4.527 4.480 -0.000 0.000 0.265 1012 M C 0.546 176.305 176.300 -0.903 0.000 1.094 1012 M CA 1.067 55.942 55.300 -0.709 0.000 1.161 1012 M CB 0.371 32.327 32.600 -1.074 0.000 1.358 1012 M HN -0.098 nan 8.290 nan 0.000 0.446 1013 F N -0.238 119.556 119.950 -0.260 0.000 2.706 1013 F HA 0.482 5.009 4.527 -0.000 0.000 0.313 1013 F C 0.879 176.649 175.800 -0.051 0.000 1.096 1013 F CA 0.070 57.947 58.000 -0.205 0.000 1.219 1013 F CB 0.224 38.977 39.000 -0.412 0.000 1.051 1013 F HN 0.223 nan 8.300 nan 0.000 0.568 1014 G N 1.516 110.377 108.800 0.102 0.000 2.712 1014 G HA2 -0.112 3.847 3.960 -0.000 0.000 0.683 1014 G HA3 -0.112 3.847 3.960 -0.000 0.000 0.683 1014 G C -2.997 172.045 174.900 0.237 0.000 1.320 1014 G CA -1.332 43.856 45.100 0.147 0.000 0.847 1014 G HN -0.051 nan 8.290 nan 0.000 0.553 1015 P HA 0.442 nan 4.420 nan 0.000 0.272 1015 P C 0.086 177.537 177.300 0.251 0.000 1.240 1015 P CA 0.439 63.667 63.100 0.214 0.000 0.791 1015 P CB 1.604 33.388 31.700 0.140 0.000 0.978 1016 T N -0.608 114.076 114.554 0.217 0.000 2.742 1016 T HA 0.278 4.628 4.350 -0.000 0.000 0.282 1016 T C -0.507 174.264 174.700 0.118 0.000 1.025 1016 T CA -0.783 61.432 62.100 0.193 0.000 1.020 1016 T CB 0.633 69.617 68.868 0.194 0.000 1.317 1016 T HN 0.105 nan 8.240 nan 0.000 0.538 1017 V N 2.396 122.379 119.914 0.113 0.000 2.621 1017 V HA 0.287 4.407 4.120 -0.000 0.000 0.300 1017 V C 1.854 177.980 176.094 0.054 0.000 1.031 1017 V CA 1.758 64.107 62.300 0.080 0.000 1.210 1017 V CB -0.363 31.509 31.823 0.083 0.000 0.864 1017 V HN 1.344 nan 8.190 nan 0.000 0.477 1018 G N 3.680 112.508 108.800 0.047 0.000 2.234 1018 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.235 1018 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.235 1018 G C -0.074 174.847 174.900 0.034 0.000 0.997 1018 G CA 0.018 45.136 45.100 0.031 0.000 0.623 1018 G HN 0.668 nan 8.290 nan 0.000 0.514 1019 D N 1.392 121.824 120.400 0.053 0.000 2.341 1019 D HA 0.556 5.195 4.640 -0.000 0.000 0.245 1019 D C 0.581 176.931 176.300 0.085 0.000 1.106 1019 D CA 0.354 54.395 54.000 0.068 0.000 0.905 1019 D CB 1.034 41.889 40.800 0.091 0.000 1.202 1019 D HN 0.413 nan 8.370 nan 0.000 0.426 1020 K N 0.258 120.728 120.400 0.116 0.000 2.208 1020 K HA 0.689 5.009 4.320 -0.000 0.000 0.247 1020 K C -0.984 175.792 176.600 0.294 0.000 0.953 1020 K CA -0.981 55.428 56.287 0.202 0.000 0.837 1020 K CB 2.237 34.861 32.500 0.207 0.000 1.131 1020 K HN 0.081 nan 8.250 nan 0.000 0.431 1021 V N 1.643 121.706 119.914 0.248 0.000 2.686 1021 V HA 0.366 4.486 4.120 -0.000 0.000 0.306 1021 V C -0.487 175.445 176.094 -0.270 0.000 1.065 1021 V CA -1.008 61.314 62.300 0.036 0.000 0.894 1021 V CB 1.686 33.472 31.823 -0.061 0.000 1.004 1021 V HN 0.695 nan 8.190 nan 0.000 0.424 1022 R N 3.952 124.014 120.500 -0.730 0.000 2.340 1022 R HA 0.464 4.804 4.340 -0.000 0.000 0.300 1022 R C -0.861 175.049 176.300 -0.649 0.000 1.069 1022 R CA -0.523 54.870 56.100 -1.178 0.000 0.984 1022 R CB 0.572 30.037 30.300 -1.393 0.000 1.003 1022 R HN 0.719 nan 8.270 nan 0.000 0.459 1023 L N 6.304 127.161 121.223 -0.610 0.000 2.342 1023 L HA 0.193 4.533 4.340 -0.000 0.000 0.285 1023 L C 1.169 177.835 176.870 -0.339 0.000 1.095 1023 L CA 0.344 54.868 54.840 -0.527 0.000 0.843 1023 L CB 0.418 42.078 42.059 -0.665 0.000 1.201 1023 L HN 1.102 nan 8.230 nan 0.000 0.445 1024 A N 4.134 126.811 122.820 -0.239 0.000 5.483 1024 A HA -0.316 4.004 4.320 -0.000 0.000 0.309 1024 A C 0.790 178.280 177.584 -0.157 0.000 1.898 1024 A CA 1.383 53.324 52.037 -0.161 0.000 0.716 1024 A CB -1.084 17.813 19.000 -0.173 0.000 1.309 1024 A HN 0.951 nan 8.150 nan 0.000 0.380 1025 D N 0.120 120.475 120.400 -0.075 0.000 2.525 1025 D HA 0.354 4.994 4.640 -0.000 0.000 0.229 1025 D C 0.673 176.891 176.300 -0.137 0.000 1.202 1025 D CA 1.028 54.973 54.000 -0.093 0.000 0.828 1025 D CB -0.993 39.786 40.800 -0.034 0.000 1.008 1025 D HN 1.106 nan 8.370 nan 0.000 0.493 1026 T N -2.880 111.572 114.554 -0.171 0.000 2.852 1026 T HA 0.276 4.626 4.350 -0.000 0.000 0.281 1026 T C 0.791 175.491 174.700 -0.000 0.000 0.993 1026 T CA -0.514 61.513 62.100 -0.123 0.000 0.933 1026 T CB 1.659 70.495 68.868 -0.054 0.000 1.187 1026 T HN -0.228 nan 8.240 nan 0.000 0.559 1027 E N -0.059 120.306 120.200 0.276 0.000 2.463 1027 E HA 0.274 4.624 4.350 -0.000 0.000 0.193 1027 E C 0.030 176.703 176.600 0.122 0.000 1.041 1027 E CA -0.087 56.424 56.400 0.185 0.000 0.879 1027 E CB -0.187 29.621 29.700 0.179 0.000 0.997 1027 E HN 0.548 nan 8.360 nan 0.000 0.478 1028 L N 0.676 121.892 121.223 -0.012 0.000 2.331 1028 L HA 0.218 4.558 4.340 -0.000 0.000 0.278 1028 L C -0.388 176.354 176.870 -0.214 0.000 1.106 1028 L CA -0.224 54.595 54.840 -0.035 0.000 0.824 1028 L CB 0.414 42.432 42.059 -0.069 0.000 1.142 1028 L HN -0.078 nan 8.230 nan 0.000 0.443 1029 W N 4.803 126.057 121.300 -0.077 0.000 2.656 1029 W HA 0.615 5.275 4.660 -0.000 0.000 0.327 1029 W C -0.234 176.224 176.519 -0.102 0.000 1.041 1029 W CA -0.486 56.804 57.345 -0.091 0.000 1.229 1029 W CB 1.525 30.953 29.460 -0.053 0.000 1.397 1029 W HN 0.242 nan 8.180 nan 0.000 0.479 1030 I N -0.339 120.272 120.570 0.069 0.000 2.562 1030 I HA 0.661 4.831 4.170 -0.000 0.000 0.301 1030 I C -0.521 175.632 176.117 0.059 0.000 1.003 1030 I CA -1.077 60.224 61.300 0.002 0.000 1.127 1030 I CB 2.168 40.086 38.000 -0.137 0.000 1.304 1030 I HN 0.407 nan 8.210 nan 0.000 0.446 1031 E N 4.285 124.512 120.200 0.044 0.000 2.210 1031 E HA 0.421 4.771 4.350 -0.000 0.000 0.266 1031 E C -1.296 175.324 176.600 0.033 0.000 0.883 1031 E CA -0.934 55.497 56.400 0.051 0.000 0.761 1031 E CB 2.345 32.074 29.700 0.048 0.000 1.156 1031 E HN 0.621 nan 8.360 nan 0.000 0.412 1032 V N 5.124 125.063 119.914 0.043 0.000 2.458 1032 V HA -0.052 4.068 4.120 -0.000 0.000 0.287 1032 V C 0.949 177.072 176.094 0.048 0.000 1.009 1032 V CA 0.739 63.067 62.300 0.045 0.000 1.091 1032 V CB 0.539 32.404 31.823 0.070 0.000 0.960 1032 V HN 0.836 nan 8.190 nan 0.000 0.476 1033 E N 2.340 122.567 120.200 0.045 0.000 2.230 1033 E HA 0.049 4.399 4.350 -0.000 0.000 0.192 1033 E C 0.281 176.918 176.600 0.062 0.000 0.987 1033 E CA 0.449 56.881 56.400 0.053 0.000 0.841 1033 E CB 0.391 30.125 29.700 0.057 0.000 0.783 1033 E HN 0.743 nan 8.360 nan 0.000 0.481 1034 D N -0.641 119.800 120.400 0.069 0.000 2.623 1034 D HA 0.161 4.801 4.640 -0.000 0.000 0.241 1034 D C -1.950 174.392 176.300 0.070 0.000 1.241 1034 D CA -0.494 53.547 54.000 0.069 0.000 0.788 1034 D CB 2.151 43.002 40.800 0.084 0.000 1.413 1034 D HN -0.195 nan 8.370 nan 0.000 0.429 1035 D N 1.903 122.330 120.400 0.044 0.000 2.788 1035 D HA 0.262 4.902 4.640 -0.000 0.000 0.247 1035 D C 0.451 176.736 176.300 -0.026 0.000 1.236 1035 D CA -0.366 53.652 54.000 0.030 0.000 0.898 1035 D CB 1.478 42.298 40.800 0.034 0.000 1.401 1035 D HN 0.296 nan 8.370 nan 0.000 0.549 1036 L N 2.024 123.247 121.223 0.000 0.000 2.591 1036 L HA 0.123 4.463 4.340 -0.000 0.000 0.228 1036 L C 1.498 178.332 176.870 -0.060 0.000 1.133 1036 L CA 0.124 54.953 54.840 -0.018 0.000 0.880 1036 L CB -0.049 42.026 42.059 0.027 0.000 1.033 1036 L HN 0.296 nan 8.230 nan 0.000 0.450 1037 T N -0.280 114.210 114.554 -0.107 0.000 2.770 1037 T HA 0.199 4.549 4.350 -0.000 0.000 0.281 1037 T C 0.215 174.765 174.700 -0.251 0.000 0.981 1037 T CA 0.062 62.080 62.100 -0.137 0.000 0.955 1037 T CB 1.131 69.936 68.868 -0.106 0.000 1.060 1037 T HN -0.009 nan 8.240 nan 0.000 0.531 1038 T N 2.648 117.086 114.554 -0.195 0.000 2.833 1038 T HA 0.370 4.720 4.350 -0.000 0.000 0.297 1038 T C -0.946 173.679 174.700 -0.126 0.000 1.015 1038 T CA -0.203 61.787 62.100 -0.184 0.000 0.963 1038 T CB -0.056 68.766 68.868 -0.076 0.000 0.955 1038 T HN 0.514 nan 8.240 nan 0.000 0.449 1039 Y N 2.020 122.304 120.300 -0.026 0.000 2.802 1039 Y HA 0.245 4.795 4.550 -0.000 0.000 0.333 1039 Y C 1.729 177.616 175.900 -0.021 0.000 1.244 1039 Y CA 0.948 59.032 58.100 -0.028 0.000 1.558 1039 Y CB 0.159 38.585 38.460 -0.055 0.000 1.233 1039 Y HN 1.035 nan 8.280 nan 0.000 0.547 1040 G N 2.106 110.981 108.800 0.126 0.000 2.238 1040 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 1040 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 1040 G C 0.570 175.478 174.900 0.013 0.000 0.996 1040 G CA -0.139 44.997 45.100 0.059 0.000 0.632 1040 G HN 0.541 nan 8.290 nan 0.000 0.503 1041 E N 1.077 121.274 120.200 -0.005 0.000 2.499 1041 E HA 0.234 4.584 4.350 -0.000 0.000 0.199 1041 E C 0.230 176.816 176.600 -0.024 0.000 1.016 1041 E CA -0.004 56.392 56.400 -0.007 0.000 0.933 1041 E CB 0.478 30.177 29.700 -0.001 0.000 1.050 1041 E HN 0.680 nan 8.360 nan 0.000 0.462 1042 E N 0.876 121.022 120.200 -0.090 0.000 2.413 1042 E HA 0.060 4.410 4.350 -0.000 0.000 0.263 1042 E C 0.189 176.808 176.600 0.030 0.000 1.015 1042 E CA -0.094 56.252 56.400 -0.091 0.000 0.916 1042 E CB 0.824 30.297 29.700 -0.379 0.000 0.947 1042 E HN -0.082 nan 8.360 nan 0.000 0.440 1043 V N 0.257 120.220 119.914 0.081 0.000 2.509 1043 V HA 0.521 4.641 4.120 -0.000 0.000 0.284 1043 V C 0.003 176.201 176.094 0.174 0.000 1.047 1043 V CA -0.613 61.758 62.300 0.117 0.000 0.952 1043 V CB 1.106 32.989 31.823 0.099 0.000 0.988 1043 V HN 0.508 nan 8.190 nan 0.000 0.469 1044 K N 3.350 123.858 120.400 0.180 0.000 2.498 1044 K HA 0.561 4.881 4.320 -0.000 0.000 0.254 1044 K C -1.933 174.774 176.600 0.179 0.000 0.933 1044 K CA -0.640 55.758 56.287 0.184 0.000 0.806 1044 K CB 2.685 35.289 32.500 0.173 0.000 1.301 1044 K HN 0.751 nan 8.250 nan 0.000 0.432 1045 F N 1.572 121.545 119.950 0.038 0.000 2.450 1045 F HA 0.721 5.248 4.527 -0.000 0.000 0.332 1045 F C 0.119 175.925 175.800 0.010 0.000 1.093 1045 F CA 0.350 58.364 58.000 0.022 0.000 1.003 1045 F CB 1.739 40.750 39.000 0.018 0.000 1.151 1045 F HN 0.667 nan 8.300 nan 0.000 0.474 1046 G N 2.484 110.607 108.800 -1.129 0.000 2.359 1046 G HA2 0.359 4.319 3.960 -0.000 0.000 0.293 1046 G HA3 0.359 4.319 3.960 -0.000 0.000 0.293 1046 G C -0.883 173.685 174.900 -0.553 0.000 1.300 1046 G CA -0.471 44.135 45.100 -0.824 0.000 0.888 1046 G HN 1.035 nan 8.290 nan 0.000 0.541 1047 G N -0.849 107.753 108.800 -0.330 0.000 2.343 1047 G HA2 0.557 4.517 3.960 -0.000 0.000 0.254 1047 G HA3 0.557 4.517 3.960 -0.000 0.000 0.254 1047 G C 1.399 176.211 174.900 -0.147 0.000 1.277 1047 G CA 1.631 46.608 45.100 -0.205 0.000 0.909 1047 G HN 2.418 nan 8.290 nan 0.000 0.502 1048 G N 1.484 110.215 108.800 -0.116 0.000 2.153 1048 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.252 1048 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.252 1048 G C 0.746 175.608 174.900 -0.063 0.000 0.994 1048 G CA 0.822 45.878 45.100 -0.072 0.000 0.698 1048 G HN 0.727 nan 8.290 nan 0.000 0.521 1049 K N -0.817 119.526 120.400 -0.094 0.000 2.760 1049 K HA 0.605 4.925 4.320 -0.000 0.000 0.285 1049 K C 1.847 178.443 176.600 -0.007 0.000 1.016 1049 K CA -0.005 56.250 56.287 -0.054 0.000 1.087 1049 K CB 0.009 32.455 32.500 -0.090 0.000 1.427 1049 K HN 0.048 nan 8.250 nan 0.000 0.524 1050 V N 0.725 120.661 119.914 0.037 0.000 2.346 1050 V HA -0.053 4.067 4.120 -0.000 0.000 0.244 1050 V C 1.412 177.549 176.094 0.071 0.000 1.037 1050 V CA 1.048 63.384 62.300 0.060 0.000 1.029 1050 V CB -0.296 31.578 31.823 0.085 0.000 0.663 1050 V HN 0.455 nan 8.190 nan 0.000 0.454 1051 I N 2.533 123.170 120.570 0.111 0.000 2.472 1051 I HA 0.162 4.332 4.170 -0.000 0.000 0.305 1051 I C 0.343 176.544 176.117 0.140 0.000 1.196 1051 I CA 0.731 62.121 61.300 0.150 0.000 1.613 1051 I CB -0.708 37.437 38.000 0.241 0.000 1.501 1051 I HN 0.244 nan 8.210 nan 0.000 0.754 1052 R N 2.639 123.188 120.500 0.081 0.000 2.707 1052 R HA 0.244 4.584 4.340 -0.000 0.000 0.272 1052 R C -0.951 175.376 176.300 0.045 0.000 1.011 1052 R CA -1.202 54.934 56.100 0.060 0.000 0.893 1052 R CB 1.752 32.069 30.300 0.028 0.000 1.233 1052 R HN 0.267 nan 8.270 nan 0.000 0.464 1053 D N 0.435 120.858 120.400 0.037 0.000 2.662 1053 D HA 0.025 4.665 4.640 -0.000 0.000 0.233 1053 D C 1.229 177.542 176.300 0.022 0.000 1.129 1053 D CA 2.634 56.650 54.000 0.027 0.000 0.851 1053 D CB 0.375 41.188 40.800 0.021 0.000 1.152 1053 D HN 0.692 nan 8.370 nan 0.000 0.507 1054 G N 2.737 111.549 108.800 0.020 0.000 2.267 1054 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.257 1054 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.257 1054 G C 0.822 175.734 174.900 0.020 0.000 0.998 1054 G CA 0.915 46.025 45.100 0.017 0.000 0.620 1054 G HN 0.524 nan 8.290 nan 0.000 0.529 1055 M N -0.666 118.949 119.600 0.025 0.000 2.209 1055 M HA 0.466 4.946 4.480 -0.000 0.000 0.195 1055 M C 2.469 178.790 176.300 0.034 0.000 1.518 1055 M CA 0.980 56.297 55.300 0.028 0.000 1.747 1055 M CB -0.345 32.273 32.600 0.029 0.000 1.021 1055 M HN 0.129 nan 8.290 nan 0.000 0.829 1056 G N 0.014 108.841 108.800 0.044 0.000 2.776 1056 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.209 1056 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.209 1056 G C 0.350 175.279 174.900 0.048 0.000 1.145 1056 G CA 0.132 45.262 45.100 0.051 0.000 0.791 1056 G HN 0.473 nan 8.290 nan 0.000 0.530 1057 Q N 0.111 119.937 119.800 0.044 0.000 2.330 1057 Q HA 0.556 4.896 4.340 -0.000 0.000 0.269 1057 Q C 0.232 176.246 176.000 0.023 0.000 1.022 1057 Q CA -0.686 55.137 55.803 0.035 0.000 0.796 1057 Q CB 1.614 30.379 28.738 0.044 0.000 1.271 1057 Q HN 0.132 nan 8.270 nan 0.000 0.450 1058 G N 1.368 110.177 108.800 0.014 0.000 2.531 1058 G HA2 0.118 4.078 3.960 -0.000 0.000 0.281 1058 G HA3 0.118 4.078 3.960 -0.000 0.000 0.281 1058 G C 0.071 174.974 174.900 0.005 0.000 1.382 1058 G CA -0.193 44.913 45.100 0.010 0.000 1.045 1058 G HN 0.672 nan 8.290 nan 0.000 0.533 1059 Q N -0.007 119.795 119.800 0.003 0.000 2.220 1059 Q HA 0.103 4.443 4.340 -0.000 0.000 0.205 1059 Q C 1.003 177.001 176.000 -0.004 0.000 0.865 1059 Q CA -0.322 55.481 55.803 0.001 0.000 0.960 1059 Q CB 0.205 28.945 28.738 0.003 0.000 1.097 1059 Q HN 0.643 nan 8.270 nan 0.000 0.493 1060 M N -0.597 118.999 119.600 -0.007 0.000 2.245 1060 M HA 0.225 4.705 4.480 -0.000 0.000 0.330 1060 M C 0.049 176.338 176.300 -0.018 0.000 1.098 1060 M CA 0.097 55.389 55.300 -0.012 0.000 1.172 1060 M CB 0.225 32.816 32.600 -0.015 0.000 1.467 1060 M HN -0.086 nan 8.290 nan 0.000 0.454 1061 L N 2.213 123.425 121.223 -0.017 0.000 2.476 1061 L HA 0.247 4.587 4.340 -0.000 0.000 0.255 1061 L C 1.898 178.749 176.870 -0.032 0.000 1.218 1061 L CA -0.138 54.690 54.840 -0.021 0.000 0.819 1061 L CB 0.344 42.394 42.059 -0.015 0.000 1.119 1061 L HN 1.023 nan 8.230 nan 0.000 0.485 1062 A N 1.448 124.247 122.820 -0.035 0.000 1.948 1062 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 1062 A C 2.237 179.787 177.584 -0.057 0.000 1.177 1062 A CA 2.056 54.064 52.037 -0.048 0.000 0.636 1062 A CB -0.787 18.188 19.000 -0.043 0.000 0.815 1062 A HN 0.905 nan 8.150 nan 0.000 0.449 1063 A N -0.768 122.028 122.820 -0.039 0.000 2.070 1063 A HA -0.094 4.226 4.320 -0.000 0.000 0.220 1063 A C 1.286 178.844 177.584 -0.044 0.000 1.159 1063 A CA 1.559 53.576 52.037 -0.033 0.000 0.656 1063 A CB -0.266 18.727 19.000 -0.011 0.000 0.800 1063 A HN 0.468 nan 8.150 nan 0.000 0.453 1064 D N -0.868 119.503 120.400 -0.047 0.000 2.368 1064 D HA 0.201 4.841 4.640 -0.000 0.000 0.218 1064 D C 0.252 176.498 176.300 -0.090 0.000 1.112 1064 D CA 0.598 54.570 54.000 -0.046 0.000 0.834 1064 D CB -0.110 40.680 40.800 -0.016 0.000 0.953 1064 D HN 0.609 nan 8.370 nan 0.000 0.505 1065 C N -1.378 117.835 119.300 -0.144 0.000 3.241 1065 C HA 0.750 5.210 4.460 -0.000 0.000 0.312 1065 C C 0.241 175.064 174.990 -0.278 0.000 1.350 1065 C CA -1.212 57.693 59.018 -0.189 0.000 1.415 1065 C CB 1.074 28.750 27.740 -0.108 0.000 1.770 1065 C HN 0.009 nan 8.230 nan 0.000 0.466 1066 V N -0.016 119.712 119.914 -0.310 0.000 2.953 1066 V HA 0.418 4.538 4.120 -0.000 0.000 0.304 1066 V C 0.574 176.573 176.094 -0.158 0.000 1.073 1066 V CA 0.455 62.574 62.300 -0.303 0.000 1.064 1066 V CB 0.710 32.373 31.823 -0.266 0.000 1.047 1066 V HN 0.909 nan 8.190 nan 0.000 0.478 1067 D N 0.858 121.186 120.400 -0.119 0.000 2.234 1067 D HA 0.165 4.805 4.640 -0.000 0.000 0.205 1067 D C 0.189 176.450 176.300 -0.064 0.000 0.962 1067 D CA 1.247 55.200 54.000 -0.078 0.000 0.855 1067 D CB 0.612 41.381 40.800 -0.053 0.000 0.951 1067 D HN 0.509 nan 8.370 nan 0.000 0.500 1068 L N -0.018 121.175 121.223 -0.050 0.000 2.472 1068 L HA 0.464 4.804 4.340 -0.000 0.000 0.260 1068 L C -1.767 175.095 176.870 -0.013 0.000 0.963 1068 L CA -0.815 54.004 54.840 -0.035 0.000 0.829 1068 L CB 2.591 44.641 42.059 -0.015 0.000 1.348 1068 L HN -0.281 nan 8.230 nan 0.000 0.408 1069 V N 5.464 125.371 119.914 -0.012 0.000 2.709 1069 V HA 0.631 4.751 4.120 -0.000 0.000 0.308 1069 V C -1.384 174.726 176.094 0.026 0.000 1.062 1069 V CA -0.463 61.847 62.300 0.018 0.000 0.901 1069 V CB 2.037 33.870 31.823 0.017 0.000 1.003 1069 V HN 0.723 nan 8.190 nan 0.000 0.425 1070 L N 6.452 127.707 121.223 0.054 0.000 2.277 1070 L HA 0.498 4.838 4.340 -0.000 0.000 0.284 1070 L C 0.634 177.552 176.870 0.080 0.000 1.028 1070 L CA 0.028 54.905 54.840 0.062 0.000 0.835 1070 L CB 1.662 43.767 42.059 0.075 0.000 1.215 1070 L HN 0.852 nan 8.230 nan 0.000 0.425 1071 T N -0.302 114.301 114.554 0.081 0.000 2.869 1071 T HA 0.231 4.581 4.350 -0.000 0.000 0.295 1071 T C 0.634 175.405 174.700 0.119 0.000 0.987 1071 T CA -0.652 61.509 62.100 0.102 0.000 1.109 1071 T CB 0.434 69.370 68.868 0.114 0.000 0.932 1071 T HN 0.603 nan 8.240 nan 0.000 0.518 1072 N N 0.041 118.820 118.700 0.131 0.000 2.725 1072 N HA -0.158 4.582 4.740 -0.000 0.000 0.251 1072 N C 0.019 175.612 175.510 0.138 0.000 1.031 1072 N CA 0.854 53.994 53.050 0.149 0.000 0.720 1072 N CB -1.698 36.903 38.487 0.190 0.000 0.930 1072 N HN 1.123 nan 8.380 nan 0.000 0.543 1073 A N 0.129 123.026 122.820 0.127 0.000 2.354 1073 A HA 0.542 4.862 4.320 -0.000 0.000 0.269 1073 A C 0.456 178.112 177.584 0.120 0.000 1.109 1073 A CA -0.517 51.594 52.037 0.124 0.000 0.800 1073 A CB 0.761 19.836 19.000 0.125 0.000 1.045 1073 A HN 0.308 nan 8.150 nan 0.000 0.489 1074 L N 4.237 125.526 121.223 0.110 0.000 2.272 1074 L HA 0.451 4.791 4.340 -0.000 0.000 0.284 1074 L C -0.468 176.440 176.870 0.062 0.000 1.045 1074 L CA -0.221 54.667 54.840 0.080 0.000 0.842 1074 L CB -0.262 41.834 42.059 0.061 0.000 1.224 1074 L HN 0.548 nan 8.230 nan 0.000 0.430 1075 I N 5.226 125.822 120.570 0.043 0.000 2.496 1075 I HA 0.237 4.407 4.170 -0.000 0.000 0.285 1075 I C -0.340 175.703 176.117 -0.122 0.000 1.080 1075 I CA -0.419 60.880 61.300 -0.002 0.000 1.404 1075 I CB 1.142 39.145 38.000 0.006 0.000 1.403 1075 I HN 0.233 nan 8.210 nan 0.000 0.539 1076 V N 5.738 125.590 119.914 -0.104 0.000 2.409 1076 V HA 0.436 4.556 4.120 -0.000 0.000 0.290 1076 V C -0.590 175.396 176.094 -0.179 0.000 1.017 1076 V CA -0.317 61.888 62.300 -0.158 0.000 0.841 1076 V CB 1.585 33.344 31.823 -0.106 0.000 1.003 1076 V HN 0.703 nan 8.190 nan 0.000 0.426 1077 D N 0.801 120.956 120.400 -0.408 0.000 2.626 1077 D HA 0.303 4.943 4.640 -0.000 0.000 0.278 1077 D C 0.807 176.859 176.300 -0.414 0.000 1.211 1077 D CA -0.387 53.343 54.000 -0.450 0.000 0.903 1077 D CB 1.488 41.781 40.800 -0.846 0.000 1.408 1077 D HN 0.687 nan 8.370 nan 0.000 0.454 1078 H N -0.220 118.758 119.070 -0.153 0.000 2.456 1078 H HA -0.045 4.511 4.556 -0.000 0.000 0.296 1078 H C 1.452 176.890 175.328 0.184 0.000 1.079 1078 H CA 1.796 57.885 56.048 0.069 0.000 1.322 1078 H CB -0.318 29.514 29.762 0.115 0.000 1.388 1078 H HN 0.499 nan 8.280 nan 0.000 0.538 1079 W N 0.529 121.644 121.300 -0.309 0.000 3.077 1079 W HA 0.579 5.239 4.660 -0.000 0.000 0.266 1079 W C -0.104 176.421 176.519 0.010 0.000 1.300 1079 W CA 0.209 57.493 57.345 -0.101 0.000 1.586 1079 W CB 0.117 29.426 29.460 -0.251 0.000 1.103 1079 W HN 0.397 nan 8.180 nan 0.000 0.652 1080 G N 0.882 109.439 108.800 -0.406 0.000 2.325 1080 G HA2 0.410 4.369 3.960 -0.000 0.000 0.297 1080 G HA3 0.410 4.369 3.960 -0.000 0.000 0.297 1080 G C -2.087 172.550 174.900 -0.438 0.000 1.448 1080 G CA -1.079 43.872 45.100 -0.248 0.000 0.838 1080 G HN 0.039 nan 8.290 nan 0.000 0.579 1081 I N 1.482 121.937 120.570 -0.191 0.000 2.537 1081 I HA 0.468 4.638 4.170 -0.000 0.000 0.276 1081 I C 0.133 176.214 176.117 -0.059 0.000 1.063 1081 I CA -0.905 60.302 61.300 -0.155 0.000 1.144 1081 I CB 1.432 39.373 38.000 -0.100 0.000 1.252 1081 I HN 0.574 nan 8.210 nan 0.000 0.480 1082 V N 2.127 122.013 119.914 -0.047 0.000 3.001 1082 V HA 0.676 4.796 4.120 -0.000 0.000 0.314 1082 V C -0.644 175.495 176.094 0.076 0.000 1.099 1082 V CA -1.042 61.291 62.300 0.056 0.000 0.989 1082 V CB 2.166 34.080 31.823 0.152 0.000 1.040 1082 V HN 0.499 nan 8.190 nan 0.000 0.434 1083 K N 2.032 122.490 120.400 0.097 0.000 2.211 1083 K HA 0.903 5.223 4.320 -0.000 0.000 0.275 1083 K C -0.435 176.234 176.600 0.114 0.000 1.024 1083 K CA 0.684 57.038 56.287 0.112 0.000 0.887 1083 K CB 0.888 33.466 32.500 0.130 0.000 1.084 1083 K HN 1.657 nan 8.250 nan 0.000 0.463 1084 A N 3.219 126.112 122.820 0.122 0.000 2.544 1084 A HA 0.397 4.717 4.320 -0.000 0.000 0.291 1084 A C -1.759 175.896 177.584 0.117 0.000 1.055 1084 A CA -0.964 51.142 52.037 0.114 0.000 0.651 1084 A CB 0.739 19.817 19.000 0.131 0.000 1.296 1084 A HN 0.658 nan 8.150 nan 0.000 0.431 1085 D N 0.504 120.967 120.400 0.105 0.000 2.225 1085 D HA 0.597 5.237 4.640 -0.000 0.000 0.249 1085 D C -0.531 175.839 176.300 0.116 0.000 1.052 1085 D CA 0.341 54.404 54.000 0.105 0.000 0.909 1085 D CB 1.409 42.264 40.800 0.090 0.000 1.186 1085 D HN 0.435 nan 8.370 nan 0.000 0.431 1086 I N 0.768 121.409 120.570 0.117 0.000 2.406 1086 I HA 0.385 4.555 4.170 -0.000 0.000 0.290 1086 I C 0.691 176.883 176.117 0.126 0.000 0.999 1086 I CA -0.776 60.602 61.300 0.130 0.000 1.124 1086 I CB 2.095 40.176 38.000 0.134 0.000 1.289 1086 I HN 0.201 nan 8.210 nan 0.000 0.441 1087 G N 5.317 114.216 108.800 0.166 0.000 2.379 1087 G HA2 0.620 4.580 3.960 -0.000 0.000 0.327 1087 G HA3 0.620 4.580 3.960 -0.000 0.000 0.327 1087 G C -1.032 173.985 174.900 0.194 0.000 1.145 1087 G CA -0.347 44.857 45.100 0.174 0.000 0.905 1087 G HN 0.335 nan 8.290 nan 0.000 0.466 1088 V N 2.125 122.105 119.914 0.109 0.000 2.540 1088 V HA 0.619 4.739 4.120 -0.000 0.000 0.302 1088 V C -0.104 176.018 176.094 0.047 0.000 1.035 1088 V CA -0.802 61.563 62.300 0.108 0.000 0.873 1088 V CB 1.819 33.688 31.823 0.077 0.000 0.992 1088 V HN 0.778 nan 8.190 nan 0.000 0.428 1089 K N 2.747 123.197 120.400 0.084 0.000 2.501 1089 K HA 0.379 4.698 4.320 -0.000 0.000 0.252 1089 K C -0.751 175.892 176.600 0.072 0.000 0.934 1089 K CA -0.535 55.763 56.287 0.018 0.000 0.797 1089 K CB 1.501 33.958 32.500 -0.072 0.000 1.270 1089 K HN 0.717 nan 8.250 nan 0.000 0.431 1090 D N 2.752 123.183 120.400 0.051 0.000 2.751 1090 D HA -0.196 4.444 4.640 -0.000 0.000 0.233 1090 D C 0.606 176.965 176.300 0.098 0.000 1.149 1090 D CA 1.842 55.891 54.000 0.080 0.000 0.682 1090 D CB -1.051 39.798 40.800 0.081 0.000 1.068 1090 D HN 1.094 nan 8.370 nan 0.000 0.429 1091 G N -0.586 108.269 108.800 0.092 0.000 2.184 1091 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.264 1091 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.264 1091 G C 0.376 175.325 174.900 0.081 0.000 0.975 1091 G CA 0.746 45.900 45.100 0.091 0.000 0.642 1091 G HN 0.540 nan 8.290 nan 0.000 0.536 1092 R N -0.836 119.721 120.500 0.094 0.000 2.892 1092 R HA 0.643 4.983 4.340 -0.000 0.000 0.265 1092 R C 0.038 176.417 176.300 0.132 0.000 1.025 1092 R CA -1.201 54.960 56.100 0.102 0.000 0.982 1092 R CB 1.367 31.724 30.300 0.094 0.000 1.185 1092 R HN 0.157 nan 8.270 nan 0.000 0.484 1093 I N 2.410 123.053 120.570 0.122 0.000 2.505 1093 I HA -0.076 4.094 4.170 -0.000 0.000 0.287 1093 I C 1.011 177.218 176.117 0.151 0.000 1.104 1093 I CA 0.292 61.674 61.300 0.136 0.000 1.387 1093 I CB 0.195 38.262 38.000 0.112 0.000 1.404 1093 I HN 0.597 nan 8.210 nan 0.000 0.528 1094 F N 6.960 126.932 119.950 0.037 0.000 2.147 1094 F HA 0.362 4.889 4.527 -0.000 0.000 0.291 1094 F C 1.039 176.850 175.800 0.019 0.000 1.093 1094 F CA 0.804 58.820 58.000 0.026 0.000 1.263 1094 F CB 0.303 39.318 39.000 0.025 0.000 1.036 1094 F HN 0.467 nan 8.300 nan 0.000 0.481 1095 A N -0.366 122.504 122.820 0.083 0.000 2.597 1095 A HA 0.579 4.899 4.320 -0.000 0.000 0.292 1095 A C -1.800 175.830 177.584 0.076 0.000 1.057 1095 A CA -0.549 51.469 52.037 -0.031 0.000 0.674 1095 A CB 0.350 19.299 19.000 -0.085 0.000 1.278 1095 A HN 0.078 nan 8.150 nan 0.000 0.416 1096 I N 1.353 121.941 120.570 0.030 0.000 2.382 1096 I HA 0.674 4.844 4.170 -0.000 0.000 0.286 1096 I C 0.774 176.925 176.117 0.056 0.000 1.002 1096 I CA 0.910 62.256 61.300 0.076 0.000 1.135 1096 I CB 1.782 39.834 38.000 0.087 0.000 1.288 1096 I HN 1.184 nan 8.210 nan 0.000 0.448 1097 G N 4.946 113.793 108.800 0.078 0.000 2.725 1097 G HA2 0.232 4.192 3.960 -0.000 0.000 0.098 1097 G HA3 0.232 4.192 3.960 -0.000 0.000 0.098 1097 G C -1.399 173.536 174.900 0.059 0.000 1.188 1097 G CA -0.460 44.674 45.100 0.057 0.000 1.237 1097 G HN 0.282 nan 8.290 nan 0.000 0.596 1098 K N 1.128 121.558 120.400 0.050 0.000 2.450 1098 K HA 0.720 5.040 4.320 -0.000 0.000 0.257 1098 K C -0.358 176.274 176.600 0.054 0.000 0.953 1098 K CA -0.253 56.059 56.287 0.041 0.000 0.844 1098 K CB 1.219 33.729 32.500 0.016 0.000 1.103 1098 K HN 0.781 nan 8.250 nan 0.000 0.429 1099 A N 2.374 125.229 122.820 0.059 0.000 2.279 1099 A HA 0.867 5.187 4.320 -0.000 0.000 0.303 1099 A C 0.357 177.969 177.584 0.048 0.000 1.108 1099 A CA 0.416 52.488 52.037 0.059 0.000 0.830 1099 A CB 0.843 19.880 19.000 0.063 0.000 1.106 1099 A HN 0.905 nan 8.150 nan 0.000 0.493 1100 G N 0.055 108.880 108.800 0.043 0.000 2.356 1100 G HA2 0.282 4.242 3.960 -0.000 0.000 0.266 1100 G HA3 0.282 4.242 3.960 -0.000 0.000 0.266 1100 G C -1.486 173.433 174.900 0.031 0.000 1.312 1100 G CA -0.216 44.907 45.100 0.039 0.000 0.922 1100 G HN 1.131 nan 8.290 nan 0.000 0.480 1101 N N 0.947 119.664 118.700 0.029 0.000 2.479 1101 N HA 0.607 5.347 4.740 -0.000 0.000 0.261 1101 N C -1.654 173.869 175.510 0.022 0.000 0.979 1101 N CA -2.298 50.766 53.050 0.024 0.000 0.930 1101 N CB 2.434 40.935 38.487 0.024 0.000 1.172 1101 N HN 0.027 nan 8.380 nan 0.000 0.499 1102 P HA -0.049 nan 4.420 nan 0.000 0.223 1102 P C 0.276 177.586 177.300 0.017 0.000 1.144 1102 P CA 0.849 63.961 63.100 0.020 0.000 0.783 1102 P CB 0.438 32.151 31.700 0.022 0.000 0.771 1103 D N -0.713 119.697 120.400 0.016 0.000 2.178 1103 D HA -0.102 4.538 4.640 -0.000 0.000 0.201 1103 D C 1.596 177.905 176.300 0.015 0.000 0.980 1103 D CA 1.222 55.230 54.000 0.015 0.000 0.842 1103 D CB -0.119 40.690 40.800 0.014 0.000 0.948 1103 D HN 0.357 nan 8.370 nan 0.000 0.472 1104 I N -3.838 116.742 120.570 0.017 0.000 4.557 1104 I HA 0.249 4.419 4.170 -0.000 0.000 0.333 1104 I C -0.057 176.071 176.117 0.018 0.000 1.332 1104 I CA -0.417 60.894 61.300 0.017 0.000 1.240 1104 I CB 0.397 38.408 38.000 0.018 0.000 1.312 1104 I HN -0.325 nan 8.210 nan 0.000 0.457 1105 Q N 3.394 123.205 119.800 0.019 0.000 2.306 1105 Q HA 0.569 4.909 4.340 -0.000 0.000 0.265 1105 Q C -2.591 173.418 176.000 0.015 0.000 1.022 1105 Q CA -1.986 53.828 55.803 0.018 0.000 0.853 1105 Q CB 2.334 31.084 28.738 0.021 0.000 1.327 1105 Q HN 0.086 nan 8.270 nan 0.000 0.449 1106 P HA 0.157 nan 4.420 nan 0.000 0.282 1106 P C -1.013 176.290 177.300 0.005 0.000 1.259 1106 P CA -0.242 62.862 63.100 0.008 0.000 0.826 1106 P CB 0.707 32.410 31.700 0.004 0.000 1.064 1107 N N -1.827 116.876 118.700 0.005 0.000 2.693 1107 N HA -0.131 4.609 4.740 -0.000 0.000 0.249 1107 N C -0.376 175.142 175.510 0.013 0.000 1.119 1107 N CA 0.067 53.119 53.050 0.004 0.000 0.717 1107 N CB -1.650 36.831 38.487 -0.008 0.000 1.071 1107 N HN 0.159 nan 8.380 nan 0.000 0.555 1108 V N 1.066 120.993 119.914 0.022 0.000 2.470 1108 V HA 0.113 4.233 4.120 -0.000 0.000 0.276 1108 V C 1.682 177.804 176.094 0.048 0.000 1.040 1108 V CA 1.041 63.362 62.300 0.034 0.000 1.008 1108 V CB 1.107 32.951 31.823 0.034 0.000 0.990 1108 V HN 0.479 nan 8.190 nan 0.000 0.477 1109 T N 1.665 116.256 114.554 0.062 0.000 2.985 1109 T HA 0.390 4.740 4.350 -0.000 0.000 0.254 1109 T C 0.330 175.126 174.700 0.160 0.000 1.021 1109 T CA 0.182 62.334 62.100 0.086 0.000 0.957 1109 T CB 0.138 69.039 68.868 0.055 0.000 1.047 1109 T HN 0.352 nan 8.240 nan 0.000 0.511 1110 I N 3.878 124.531 120.570 0.138 0.000 2.502 1110 I HA 0.353 4.523 4.170 -0.000 0.000 0.276 1110 I C -2.694 173.465 176.117 0.070 0.000 1.057 1110 I CA -2.702 58.694 61.300 0.161 0.000 1.163 1110 I CB 2.023 40.113 38.000 0.150 0.000 1.288 1110 I HN -0.060 nan 8.210 nan 0.000 0.479 1111 P HA 0.226 nan 4.420 nan 0.000 0.276 1111 P C -0.550 176.728 177.300 -0.035 0.000 1.235 1111 P CA 0.153 63.251 63.100 -0.003 0.000 0.772 1111 P CB 1.232 32.926 31.700 -0.010 0.000 0.871 1112 I N 2.763 123.325 120.570 -0.013 0.000 2.339 1112 I HA 0.515 4.685 4.170 -0.000 0.000 0.290 1112 I C 1.037 177.145 176.117 -0.014 0.000 0.994 1112 I CA -0.130 61.160 61.300 -0.016 0.000 1.191 1112 I CB 1.781 39.786 38.000 0.009 0.000 1.343 1112 I HN 0.424 nan 8.210 nan 0.000 0.458 1113 G N 3.002 111.785 108.800 -0.029 0.000 3.176 1113 G HA2 0.556 4.516 3.960 -0.000 0.000 0.272 1113 G HA3 0.556 4.516 3.960 -0.000 0.000 0.272 1113 G C 0.610 175.496 174.900 -0.022 0.000 1.349 1113 G CA 0.054 45.141 45.100 -0.022 0.000 0.953 1113 G HN 0.590 nan 8.290 nan 0.000 0.559 1114 A N -0.720 122.089 122.820 -0.019 0.000 1.978 1114 A HA 0.217 4.537 4.320 -0.000 0.000 0.220 1114 A C 2.402 179.966 177.584 -0.033 0.000 1.170 1114 A CA 2.620 54.646 52.037 -0.019 0.000 0.636 1114 A CB -0.698 18.292 19.000 -0.016 0.000 0.810 1114 A HN 1.500 nan 8.150 nan 0.000 0.448 1115 A N -0.843 121.951 122.820 -0.042 0.000 2.238 1115 A HA 0.310 4.630 4.320 -0.000 0.000 0.208 1115 A C 0.812 178.357 177.584 -0.065 0.000 1.177 1115 A CA 0.726 52.731 52.037 -0.054 0.000 0.804 1115 A CB -0.550 18.416 19.000 -0.056 0.000 0.823 1115 A HN 0.302 nan 8.150 nan 0.000 0.482 1116 T N 0.980 115.496 114.554 -0.064 0.000 2.744 1116 T HA 0.418 4.768 4.350 -0.000 0.000 0.291 1116 T C -0.244 174.402 174.700 -0.090 0.000 0.957 1116 T CA -0.331 61.726 62.100 -0.073 0.000 1.002 1116 T CB 1.439 70.269 68.868 -0.062 0.000 0.919 1116 T HN 0.449 nan 8.240 nan 0.000 0.468 1117 E N 2.462 122.602 120.200 -0.100 0.000 2.283 1117 E HA 0.516 4.866 4.350 -0.000 0.000 0.267 1117 E C -1.167 175.344 176.600 -0.149 0.000 1.045 1117 E CA -0.648 55.670 56.400 -0.136 0.000 0.884 1117 E CB 0.891 30.523 29.700 -0.113 0.000 1.106 1117 E HN 0.326 nan 8.360 nan 0.000 0.408 1118 V N 4.517 124.291 119.914 -0.234 0.000 2.588 1118 V HA 0.443 4.563 4.120 -0.000 0.000 0.304 1118 V C -0.291 175.697 176.094 -0.175 0.000 1.042 1118 V CA -0.674 61.499 62.300 -0.212 0.000 0.877 1118 V CB 1.591 33.222 31.823 -0.321 0.000 0.996 1118 V HN 0.660 nan 8.190 nan 0.000 0.425 1119 I N 3.616 124.141 120.570 -0.075 0.000 2.410 1119 I HA 0.556 4.726 4.170 -0.000 0.000 0.286 1119 I C 0.436 176.561 176.117 0.012 0.000 1.009 1119 I CA -0.646 60.635 61.300 -0.033 0.000 1.111 1119 I CB 1.837 39.831 38.000 -0.011 0.000 1.262 1119 I HN 0.716 nan 8.210 nan 0.000 0.443 1120 A N 5.089 127.929 122.820 0.032 0.000 2.395 1120 A HA 0.562 4.882 4.320 -0.000 0.000 0.286 1120 A C 0.798 178.421 177.584 0.065 0.000 1.193 1120 A CA -0.068 52.010 52.037 0.069 0.000 0.852 1120 A CB 0.289 19.343 19.000 0.091 0.000 1.118 1120 A HN 0.889 nan 8.150 nan 0.000 0.524 1121 A N 2.971 125.838 122.820 0.079 0.000 2.465 1121 A HA 0.279 4.599 4.320 -0.000 0.000 0.255 1121 A C 0.666 178.309 177.584 0.098 0.000 1.274 1121 A CA -0.261 51.828 52.037 0.087 0.000 0.920 1121 A CB -0.116 18.940 19.000 0.094 0.000 1.033 1121 A HN 0.823 nan 8.150 nan 0.000 0.516 1122 E N 0.114 120.370 120.200 0.093 0.000 2.415 1122 E HA 0.299 4.649 4.350 -0.000 0.000 0.260 1122 E C 0.837 177.481 176.600 0.074 0.000 1.016 1122 E CA 0.545 57.001 56.400 0.093 0.000 0.924 1122 E CB 0.166 29.910 29.700 0.072 0.000 0.961 1122 E HN 0.917 nan 8.360 nan 0.000 0.459 1123 G N 2.887 111.739 108.800 0.088 0.000 2.176 1123 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.253 1123 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.253 1123 G C -0.000 174.957 174.900 0.096 0.000 0.979 1123 G CA 0.265 45.413 45.100 0.080 0.000 0.641 1123 G HN 0.477 nan 8.290 nan 0.000 0.530 1124 K N -0.046 120.421 120.400 0.111 0.000 2.221 1124 K HA 0.757 5.077 4.320 -0.000 0.000 0.243 1124 K C 0.122 176.816 176.600 0.157 0.000 0.968 1124 K CA -0.847 55.527 56.287 0.145 0.000 0.846 1124 K CB 1.872 34.455 32.500 0.139 0.000 1.141 1124 K HN 0.231 nan 8.250 nan 0.000 0.434 1125 I N 1.407 122.112 120.570 0.225 0.000 2.412 1125 I HA 0.268 4.438 4.170 -0.000 0.000 0.296 1125 I C -0.471 175.867 176.117 0.367 0.000 0.987 1125 I CA -1.102 60.338 61.300 0.233 0.000 1.180 1125 I CB 1.828 39.944 38.000 0.193 0.000 1.340 1125 I HN -0.002 nan 8.210 nan 0.000 0.455 1126 V N 4.689 124.774 119.914 0.286 0.000 2.495 1126 V HA 0.579 4.699 4.120 -0.000 0.000 0.298 1126 V C 0.069 176.351 176.094 0.314 0.000 1.031 1126 V CA -0.374 62.099 62.300 0.290 0.000 0.871 1126 V CB 2.009 33.943 31.823 0.185 0.000 0.988 1126 V HN 0.910 nan 8.190 nan 0.000 0.432 1127 T N 1.532 116.324 114.554 0.396 0.000 2.887 1127 T HA 0.875 5.225 4.350 -0.000 0.000 0.292 1127 T C -0.123 174.761 174.700 0.306 0.000 1.087 1127 T CA -0.409 61.917 62.100 0.376 0.000 1.009 1127 T CB 1.961 71.168 68.868 0.565 0.000 1.203 1127 T HN 0.982 nan 8.240 nan 0.000 0.518 1128 A N 0.364 123.346 122.820 0.270 0.000 2.332 1128 A HA 0.710 5.030 4.320 -0.000 0.000 0.258 1128 A C 0.944 178.689 177.584 0.269 0.000 1.087 1128 A CA -0.170 52.009 52.037 0.236 0.000 0.802 1128 A CB -0.564 18.566 19.000 0.217 0.000 1.042 1128 A HN 1.356 nan 8.150 nan 0.000 0.489 1129 G N -0.179 108.752 108.800 0.219 0.000 2.483 1129 G HA2 0.474 4.434 3.960 -0.000 0.000 0.248 1129 G HA3 0.474 4.434 3.960 -0.000 0.000 0.248 1129 G C 0.533 175.594 174.900 0.267 0.000 1.248 1129 G CA 0.202 45.435 45.100 0.221 0.000 0.838 1129 G HN 1.132 nan 8.290 nan 0.000 0.566 1130 G N -0.591 108.396 108.800 0.313 0.000 2.606 1130 G HA2 0.462 4.422 3.960 -0.000 0.000 0.252 1130 G HA3 0.462 4.422 3.960 -0.000 0.000 0.252 1130 G C -0.309 174.733 174.900 0.237 0.000 1.206 1130 G CA -0.558 44.766 45.100 0.374 0.000 0.861 1130 G HN 0.637 nan 8.290 nan 0.000 0.561 1131 I N 0.998 121.705 120.570 0.227 0.000 2.468 1131 I HA 0.175 4.345 4.170 -0.000 0.000 0.284 1131 I C -1.225 174.963 176.117 0.118 0.000 1.038 1131 I CA -0.714 60.675 61.300 0.148 0.000 1.083 1131 I CB 2.059 40.133 38.000 0.123 0.000 1.223 1131 I HN 0.305 nan 8.210 nan 0.000 0.443 1132 D N 4.530 124.973 120.400 0.071 0.000 2.280 1132 D HA 0.215 4.855 4.640 -0.000 0.000 0.236 1132 D C 0.860 177.160 176.300 -0.000 0.000 1.082 1132 D CA -0.179 53.839 54.000 0.031 0.000 0.834 1132 D CB 1.624 42.414 40.800 -0.016 0.000 1.100 1132 D HN 0.621 nan 8.370 nan 0.000 0.486 1133 T N 0.254 114.824 114.554 0.026 0.000 3.145 1133 T HA 0.116 4.466 4.350 -0.000 0.000 0.255 1133 T C 0.586 175.267 174.700 -0.031 0.000 1.039 1133 T CA -0.092 62.003 62.100 -0.008 0.000 0.928 1133 T CB -0.424 68.487 68.868 0.072 0.000 1.029 1133 T HN 0.489 nan 8.240 nan 0.000 0.554 1134 H N 0.716 119.641 119.070 -0.241 0.000 2.386 1134 H HA 0.455 5.011 4.556 -0.000 0.000 0.232 1134 H C -0.864 174.290 175.328 -0.291 0.000 1.416 1134 H CA -0.964 54.807 56.048 -0.462 0.000 1.285 1134 H CB -0.095 29.236 29.762 -0.717 0.000 1.625 1134 H HN 0.178 nan 8.280 nan 0.000 0.521 1135 I N 2.501 122.978 120.570 -0.156 0.000 2.331 1135 I HA 0.118 4.288 4.170 -0.000 0.000 0.292 1135 I C 0.218 176.116 176.117 -0.365 0.000 0.998 1135 I CA -0.245 60.853 61.300 -0.336 0.000 1.267 1135 I CB 0.921 38.487 38.000 -0.723 0.000 1.386 1135 I HN 0.563 nan 8.210 nan 0.000 0.476 1136 H N 5.712 124.624 119.070 -0.263 0.000 2.594 1136 H HA 0.120 4.676 4.556 -0.000 0.000 0.304 1136 H C -0.715 174.530 175.328 -0.139 0.000 1.068 1136 H CA -0.342 55.640 56.048 -0.110 0.000 1.308 1136 H CB 0.675 30.440 29.762 0.004 0.000 1.409 1136 H HN 0.558 nan 8.280 nan 0.000 0.460 1137 W N 5.325 126.704 121.300 0.133 0.000 1.564 1137 W HA 0.134 4.794 4.660 -0.000 0.000 0.480 1137 W C 0.967 177.539 176.519 0.089 0.000 0.699 1137 W CA -0.308 57.092 57.345 0.092 0.000 1.985 1137 W CB -0.313 29.181 29.460 0.057 0.000 1.738 1137 W HN 0.637 nan 8.180 nan 0.000 0.218 1138 I N 1.208 121.953 120.570 0.291 0.000 2.584 1138 I HA -0.078 4.092 4.170 -0.000 0.000 0.255 1138 I C 1.087 177.322 176.117 0.198 0.000 1.145 1138 I CA 0.637 62.070 61.300 0.221 0.000 1.462 1138 I CB -0.107 38.020 38.000 0.211 0.000 1.102 1138 I HN 0.239 nan 8.210 nan 0.000 0.433 1139 C N -2.278 117.155 119.300 0.223 0.000 3.171 1139 C HA 0.382 4.841 4.460 -0.000 0.000 0.336 1139 C C -1.989 173.135 174.990 0.224 0.000 1.198 1139 C CA -1.350 57.775 59.018 0.178 0.000 1.319 1139 C CB 1.244 29.059 27.740 0.124 0.000 1.682 1139 C HN -0.046 nan 8.230 nan 0.000 0.497 1140 P HA -0.053 nan 4.420 nan 0.000 0.226 1140 P C 1.028 178.415 177.300 0.146 0.000 1.153 1140 P CA 1.460 64.646 63.100 0.143 0.000 0.777 1140 P CB 0.240 31.973 31.700 0.055 0.000 0.794 1141 Q N 0.154 120.024 119.800 0.116 0.000 2.291 1141 Q HA -0.109 4.231 4.340 -0.000 0.000 0.205 1141 Q C 2.357 178.415 176.000 0.098 0.000 0.970 1141 Q CA 1.232 57.088 55.803 0.088 0.000 0.876 1141 Q CB -0.801 27.973 28.738 0.060 0.000 0.935 1141 Q HN 0.436 nan 8.270 nan 0.000 0.455 1142 Q N -0.355 119.526 119.800 0.134 0.000 2.181 1142 Q HA -0.154 4.186 4.340 -0.000 0.000 0.205 1142 Q C 2.005 178.078 176.000 0.122 0.000 0.980 1142 Q CA 1.219 57.084 55.803 0.104 0.000 0.862 1142 Q CB -0.239 28.555 28.738 0.092 0.000 0.905 1142 Q HN 0.484 nan 8.270 nan 0.000 0.429 1143 A N 1.213 124.162 122.820 0.214 0.000 1.902 1143 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 1143 A C 1.908 179.555 177.584 0.105 0.000 1.181 1143 A CA 1.687 53.847 52.037 0.205 0.000 0.623 1143 A CB -0.465 18.675 19.000 0.233 0.000 0.818 1143 A HN 0.427 nan 8.150 nan 0.000 0.443 1144 E N -0.743 119.504 120.200 0.078 0.000 2.107 1144 E HA -0.210 4.140 4.350 -0.000 0.000 0.191 1144 E C 1.961 178.567 176.600 0.011 0.000 0.982 1144 E CA 1.186 57.611 56.400 0.042 0.000 0.809 1144 E CB -0.076 29.649 29.700 0.042 0.000 0.756 1144 E HN 0.582 nan 8.360 nan 0.000 0.459 1145 E N 0.376 120.584 120.200 0.013 0.000 2.051 1145 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 1145 E C 1.734 178.313 176.600 -0.035 0.000 0.991 1145 E CA 1.538 57.928 56.400 -0.018 0.000 0.799 1145 E CB -0.259 29.434 29.700 -0.012 0.000 0.748 1145 E HN 0.344 nan 8.360 nan 0.000 0.449 1146 A N 0.128 122.941 122.820 -0.011 0.000 1.898 1146 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 1146 A C 2.165 179.742 177.584 -0.013 0.000 1.181 1146 A CA 1.329 53.358 52.037 -0.014 0.000 0.620 1146 A CB -0.730 18.273 19.000 0.004 0.000 0.819 1146 A HN 0.358 nan 8.150 nan 0.000 0.442 1147 L N -0.011 121.212 121.223 -0.001 0.000 2.046 1147 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 1147 L C 2.391 179.217 176.870 -0.074 0.000 1.077 1147 L CA 1.830 56.664 54.840 -0.009 0.000 0.747 1147 L CB -0.487 41.580 42.059 0.012 0.000 0.896 1147 L HN 0.157 nan 8.230 nan 0.000 0.432 1148 V N -0.359 119.477 119.914 -0.131 0.000 2.392 1148 V HA -0.272 3.848 4.120 -0.000 0.000 0.249 1148 V C 2.651 178.563 176.094 -0.304 0.000 1.059 1148 V CA 1.775 63.882 62.300 -0.322 0.000 1.051 1148 V CB -0.909 30.661 31.823 -0.421 0.000 0.658 1148 V HN 0.773 nan 8.190 nan 0.000 0.455 1149 S N -0.385 115.229 115.700 -0.143 0.000 2.522 1149 S HA 0.210 4.680 4.470 -0.000 0.000 0.227 1149 S C 1.561 176.193 174.600 0.053 0.000 0.986 1149 S CA 0.916 59.094 58.200 -0.037 0.000 0.929 1149 S CB 0.552 63.739 63.200 -0.022 0.000 0.769 1149 S HN 1.201 nan 8.310 nan 0.000 0.529 1150 G N -0.216 108.575 108.800 -0.016 0.000 2.154 1150 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.186 1150 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.186 1150 G C -0.175 174.789 174.900 0.106 0.000 1.000 1150 G CA -0.188 44.935 45.100 0.038 0.000 0.664 1150 G HN 0.607 nan 8.290 nan 0.000 0.513 1151 V N 2.047 121.999 119.914 0.064 0.000 2.383 1151 V HA 0.565 4.685 4.120 -0.000 0.000 0.275 1151 V C 1.432 177.578 176.094 0.088 0.000 1.036 1151 V CA 0.689 63.042 62.300 0.088 0.000 0.889 1151 V CB 1.329 33.181 31.823 0.048 0.000 0.985 1151 V HN 0.601 nan 8.190 nan 0.000 0.459 1152 T N -0.211 114.413 114.554 0.117 0.000 3.023 1152 T HA 0.156 4.506 4.350 -0.000 0.000 0.253 1152 T C 0.610 175.395 174.700 0.142 0.000 1.038 1152 T CA -0.020 62.148 62.100 0.115 0.000 0.962 1152 T CB 0.267 69.201 68.868 0.111 0.000 1.018 1152 T HN 0.535 nan 8.240 nan 0.000 0.521 1153 T N 2.272 116.919 114.554 0.156 0.000 2.881 1153 T HA 0.682 5.032 4.350 -0.000 0.000 0.290 1153 T C -1.073 173.723 174.700 0.159 0.000 1.000 1153 T CA -0.581 61.634 62.100 0.192 0.000 0.978 1153 T CB 1.791 70.787 68.868 0.212 0.000 0.997 1153 T HN 0.190 nan 8.240 nan 0.000 0.443 1154 M N 3.100 122.820 119.600 0.200 0.000 2.151 1154 M HA 0.518 4.998 4.480 -0.000 0.000 0.290 1154 M C -1.178 175.235 176.300 0.188 0.000 0.965 1154 M CA -0.824 54.561 55.300 0.142 0.000 0.930 1154 M CB 2.235 34.928 32.600 0.155 0.000 1.560 1154 M HN 0.234 nan 8.290 nan 0.000 0.438 1155 V N 2.556 122.495 119.914 0.043 0.000 2.417 1155 V HA 1.005 5.124 4.120 -0.000 0.000 0.291 1155 V C 0.260 176.325 176.094 -0.047 0.000 1.024 1155 V CA -0.193 62.121 62.300 0.023 0.000 0.861 1155 V CB 1.542 33.267 31.823 -0.164 0.000 0.985 1155 V HN 1.064 nan 8.190 nan 0.000 0.436 1156 G N 2.916 111.743 108.800 0.046 0.000 2.348 1156 G HA2 0.690 4.650 3.960 -0.000 0.000 0.296 1156 G HA3 0.690 4.650 3.960 -0.000 0.000 0.296 1156 G C -0.679 174.297 174.900 0.127 0.000 1.258 1156 G CA 0.081 45.144 45.100 -0.063 0.000 0.868 1156 G HN 1.071 nan 8.290 nan 0.000 0.488 1157 G N -2.041 106.800 108.800 0.069 0.000 2.690 1157 G HA2 0.997 4.957 3.960 -0.000 0.000 0.293 1157 G HA3 0.997 4.957 3.960 -0.000 0.000 0.293 1157 G C -0.261 174.797 174.900 0.263 0.000 1.399 1157 G CA 0.191 45.432 45.100 0.235 0.000 0.890 1157 G HN 2.180 nan 8.290 nan 0.000 0.485 1158 G N -1.637 107.334 108.800 0.286 0.000 2.350 1158 G HA2 0.526 4.486 3.960 -0.000 0.000 0.304 1158 G HA3 0.526 4.486 3.960 -0.000 0.000 0.304 1158 G C 0.102 175.082 174.900 0.135 0.000 1.421 1158 G CA 0.938 46.176 45.100 0.229 0.000 0.934 1158 G HN 1.700 nan 8.290 nan 0.000 0.632 1159 T N -2.946 111.626 114.554 0.030 0.000 3.087 1159 T HA 0.642 4.992 4.350 -0.000 0.000 0.283 1159 T C 1.213 175.923 174.700 0.018 0.000 0.956 1159 T CA 1.212 63.275 62.100 -0.062 0.000 0.894 1159 T CB 0.565 69.157 68.868 -0.460 0.000 1.160 1159 T HN 2.700 nan 8.240 nan 0.000 0.532 1160 G N 2.337 111.173 108.800 0.059 0.000 2.293 1160 G HA2 0.213 4.173 3.960 -0.000 0.000 0.282 1160 G HA3 0.213 4.173 3.960 -0.000 0.000 0.282 1160 G C -3.019 171.890 174.900 0.014 0.000 1.299 1160 G CA -0.427 44.715 45.100 0.070 0.000 1.018 1160 G HN 0.039 nan 8.290 nan 0.000 0.478 1161 P HA 0.490 nan 4.420 nan 0.000 0.226 1161 P C 0.057 177.169 177.300 -0.313 0.000 1.783 1161 P CA 0.869 63.935 63.100 -0.057 0.000 0.980 1161 P CB 0.188 31.989 31.700 0.169 0.000 1.967 1162 A N 1.335 123.896 122.820 -0.431 0.000 2.311 1162 A HA 0.652 4.972 4.320 -0.000 0.000 0.334 1162 A C 1.610 178.915 177.584 -0.465 0.000 1.139 1162 A CA -0.162 51.687 52.037 -0.313 0.000 0.830 1162 A CB 1.008 19.926 19.000 -0.137 0.000 1.234 1162 A HN 0.236 nan 8.150 nan 0.000 0.483 1163 A N 1.338 124.043 122.820 -0.192 0.000 1.903 1163 A HA -0.037 4.283 4.320 -0.000 0.000 0.219 1163 A C 2.203 179.817 177.584 0.049 0.000 1.191 1163 A CA 2.747 54.721 52.037 -0.105 0.000 0.638 1163 A CB -1.405 17.391 19.000 -0.339 0.000 0.823 1163 A HN 1.593 nan 8.150 nan 0.000 0.451 1164 G N -1.662 107.157 108.800 0.031 0.000 2.440 1164 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.218 1164 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.218 1164 G C 1.552 176.599 174.900 0.245 0.000 1.154 1164 G CA 1.666 46.868 45.100 0.170 0.000 0.767 1164 G HN 0.458 nan 8.290 nan 0.000 0.552 1165 T N 0.022 114.664 114.554 0.146 0.000 2.904 1165 T HA -0.012 4.338 4.350 -0.000 0.000 0.267 1165 T C 2.095 176.980 174.700 0.309 0.000 1.059 1165 T CA 0.904 63.120 62.100 0.193 0.000 1.137 1165 T CB -0.257 68.660 68.868 0.082 0.000 0.879 1165 T HN 0.298 nan 8.240 nan 0.000 0.467 1166 H N 1.126 120.323 119.070 0.213 0.000 2.387 1166 H HA 0.130 4.686 4.556 -0.000 0.000 0.299 1166 H C 2.351 177.676 175.328 -0.004 0.000 1.099 1166 H CA 1.302 57.410 56.048 0.099 0.000 1.315 1166 H CB -0.345 29.504 29.762 0.146 0.000 1.380 1166 H HN 0.426 nan 8.280 nan 0.000 0.513 1167 A N 0.088 123.066 122.820 0.262 0.000 2.063 1167 A HA 0.113 4.433 4.320 -0.000 0.000 0.211 1167 A C 1.257 179.092 177.584 0.418 0.000 1.177 1167 A CA 0.900 53.035 52.037 0.164 0.000 0.759 1167 A CB 0.148 19.247 19.000 0.165 0.000 0.857 1167 A HN 0.439 nan 8.150 nan 0.000 0.468 1168 T N -2.900 111.932 114.554 0.463 0.000 2.906 1168 T HA 0.460 4.810 4.350 -0.000 0.000 0.295 1168 T C -0.131 174.643 174.700 0.123 0.000 1.075 1168 T CA 0.232 62.580 62.100 0.413 0.000 1.005 1168 T CB 1.356 70.485 68.868 0.435 0.000 1.136 1168 T HN 0.287 nan 8.240 nan 0.000 0.498 1169 T N -0.061 114.434 114.554 -0.098 0.000 3.783 1169 T HA 0.474 4.824 4.350 -0.000 0.000 0.262 1169 T C 0.032 174.748 174.700 0.027 0.000 1.381 1169 T CA -0.679 61.291 62.100 -0.217 0.000 1.155 1169 T CB -1.864 66.861 68.868 -0.237 0.000 1.256 1169 T HN 0.710 nan 8.240 nan 0.000 0.807 1170 C N 1.556 120.924 119.300 0.112 0.000 2.498 1170 C HA 0.655 5.115 4.460 -0.000 0.000 0.316 1170 C C 0.519 175.555 174.990 0.077 0.000 1.209 1170 C CA -0.838 58.235 59.018 0.092 0.000 1.518 1170 C CB 1.336 29.120 27.740 0.074 0.000 2.147 1170 C HN 0.640 nan 8.230 nan 0.000 0.483 1171 T N 4.317 118.905 114.554 0.056 0.000 2.947 1171 T HA 0.317 4.667 4.350 -0.000 0.000 0.337 1171 T C -2.712 172.007 174.700 0.030 0.000 1.139 1171 T CA -0.739 61.394 62.100 0.054 0.000 0.992 1171 T CB 0.322 69.249 68.868 0.098 0.000 1.043 1171 T HN 0.437 nan 8.240 nan 0.000 0.498 1172 P HA 0.390 nan 4.420 nan 0.000 0.276 1172 P C 0.690 178.062 177.300 0.120 0.000 1.264 1172 P CA 0.645 63.733 63.100 -0.021 0.000 0.769 1172 P CB 0.326 31.962 31.700 -0.105 0.000 0.840 1173 G N 5.324 114.164 108.800 0.067 0.000 2.819 1173 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.682 1173 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.682 1173 G C -2.053 172.929 174.900 0.136 0.000 1.481 1173 G CA -0.802 44.357 45.100 0.099 0.000 0.904 1173 G HN 0.252 nan 8.290 nan 0.000 0.563 1174 P HA -0.147 nan 4.420 nan 0.000 0.216 1174 P C 1.688 179.057 177.300 0.115 0.000 1.157 1174 P CA 2.287 65.442 63.100 0.092 0.000 0.880 1174 P CB -0.026 31.721 31.700 0.077 0.000 0.791 1175 W N -1.070 120.208 121.300 -0.037 0.000 2.354 1175 W HA -0.203 4.457 4.660 -0.000 0.000 0.315 1175 W C 2.350 178.806 176.519 -0.105 0.000 1.206 1175 W CA 1.521 58.801 57.345 -0.108 0.000 1.290 1175 W CB -1.171 28.170 29.460 -0.198 0.000 1.152 1175 W HN -0.058 nan 8.180 nan 0.000 0.489 1176 Y N -0.094 120.364 120.300 0.262 0.000 2.224 1176 Y HA -0.241 4.309 4.550 -0.000 0.000 0.289 1176 Y C 2.402 178.274 175.900 -0.045 0.000 1.146 1176 Y CA 1.704 59.864 58.100 0.100 0.000 1.182 1176 Y CB -0.535 38.035 38.460 0.183 0.000 0.983 1176 Y HN -0.113 nan 8.280 nan 0.000 0.524 1177 I N -0.964 119.691 120.570 0.141 0.000 2.208 1177 I HA -0.363 3.807 4.170 -0.000 0.000 0.245 1177 I C 2.333 178.426 176.117 -0.040 0.000 1.097 1177 I CA 1.426 62.755 61.300 0.050 0.000 1.363 1177 I CB -0.422 37.608 38.000 0.050 0.000 1.051 1177 I HN 0.094 nan 8.210 nan 0.000 0.413 1178 S N 0.193 115.831 115.700 -0.102 0.000 2.356 1178 S HA -0.191 4.279 4.470 -0.000 0.000 0.223 1178 S C 2.075 176.530 174.600 -0.242 0.000 1.032 1178 S CA 1.217 59.313 58.200 -0.173 0.000 1.005 1178 S CB -0.262 62.805 63.200 -0.222 0.000 0.867 1178 S HN 0.264 nan 8.310 nan 0.000 0.449 1179 R N 1.045 121.328 120.500 -0.362 0.000 2.091 1179 R HA 0.112 4.452 4.340 -0.000 0.000 0.238 1179 R C 2.261 178.438 176.300 -0.205 0.000 1.136 1179 R CA 1.335 57.212 56.100 -0.372 0.000 0.959 1179 R CB -0.384 29.594 30.300 -0.537 0.000 0.856 1179 R HN 0.308 nan 8.270 nan 0.000 0.437 1180 M N -0.275 119.243 119.600 -0.137 0.000 2.319 1180 M HA -0.044 4.436 4.480 -0.000 0.000 0.265 1180 M C 2.050 178.248 176.300 -0.170 0.000 1.068 1180 M CA 1.248 56.459 55.300 -0.148 0.000 1.118 1180 M CB -0.578 31.954 32.600 -0.115 0.000 1.395 1180 M HN 0.168 nan 8.290 nan 0.000 0.435 1181 L N -0.415 120.730 121.223 -0.131 0.000 2.093 1181 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 1181 L C 2.525 179.317 176.870 -0.129 0.000 1.085 1181 L CA 1.167 55.939 54.840 -0.113 0.000 0.755 1181 L CB -0.485 41.524 42.059 -0.083 0.000 0.904 1181 L HN 0.375 nan 8.230 nan 0.000 0.435 1182 Q N -0.383 119.331 119.800 -0.142 0.000 2.079 1182 Q HA -0.165 4.175 4.340 -0.000 0.000 0.200 1182 Q C 2.402 178.326 176.000 -0.126 0.000 0.974 1182 Q CA 1.537 57.258 55.803 -0.137 0.000 0.840 1182 Q CB -0.220 28.429 28.738 -0.150 0.000 0.898 1182 Q HN 0.540 nan 8.270 nan 0.000 0.430 1183 A N 1.049 123.784 122.820 -0.141 0.000 1.969 1183 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 1183 A C 2.283 179.777 177.584 -0.150 0.000 1.169 1183 A CA 1.332 53.288 52.037 -0.136 0.000 0.635 1183 A CB -0.655 18.252 19.000 -0.155 0.000 0.810 1183 A HN 0.388 nan 8.150 nan 0.000 0.445 1184 A N 0.187 122.897 122.820 -0.183 0.000 1.978 1184 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 1184 A C 1.665 179.199 177.584 -0.082 0.000 1.170 1184 A CA 1.896 53.825 52.037 -0.179 0.000 0.636 1184 A CB -0.573 18.327 19.000 -0.166 0.000 0.810 1184 A HN 0.446 nan 8.150 nan 0.000 0.448 1185 D N -0.154 120.213 120.400 -0.054 0.000 2.265 1185 D HA -0.061 4.579 4.640 -0.000 0.000 0.208 1185 D C 1.862 178.252 176.300 0.149 0.000 0.977 1185 D CA 1.382 55.404 54.000 0.037 0.000 0.871 1185 D CB -0.144 40.610 40.800 -0.078 0.000 0.925 1185 D HN 0.409 nan 8.370 nan 0.000 0.485 1186 S N -0.422 115.310 115.700 0.053 0.000 2.527 1186 S HA 0.101 4.571 4.470 -0.000 0.000 0.222 1186 S C 0.956 175.560 174.600 0.006 0.000 0.985 1186 S CA -0.035 58.188 58.200 0.037 0.000 0.921 1186 S CB 0.463 63.666 63.200 0.006 0.000 0.772 1186 S HN 0.185 nan 8.310 nan 0.000 0.529 1187 L N 2.981 124.200 121.223 -0.006 0.000 2.307 1187 L HA 0.330 4.670 4.340 -0.000 0.000 0.282 1187 L C -1.837 175.051 176.870 0.030 0.000 1.051 1187 L CA -2.124 52.719 54.840 0.005 0.000 0.804 1187 L CB 0.907 42.953 42.059 -0.022 0.000 1.197 1187 L HN -0.137 nan 8.230 nan 0.000 0.431 1188 P HA 0.007 nan 4.420 nan 0.000 0.258 1188 P C -0.400 176.937 177.300 0.062 0.000 1.403 1188 P CA 0.311 63.435 63.100 0.040 0.000 0.826 1188 P CB -0.108 31.610 31.700 0.029 0.000 1.414 1189 V N -3.585 116.380 119.914 0.086 0.000 3.040 1189 V HA 0.540 4.660 4.120 -0.000 0.000 0.312 1189 V C -0.273 175.891 176.094 0.116 0.000 1.115 1189 V CA -1.412 60.958 62.300 0.116 0.000 0.998 1189 V CB 1.835 33.760 31.823 0.170 0.000 1.042 1189 V HN -0.170 nan 8.190 nan 0.000 0.433 1190 N N 2.075 120.854 118.700 0.132 0.000 2.518 1190 N HA 0.570 5.310 4.740 -0.000 0.000 0.266 1190 N C -0.740 174.915 175.510 0.241 0.000 1.196 1190 N CA 0.118 53.241 53.050 0.121 0.000 0.947 1190 N CB 1.473 40.068 38.487 0.181 0.000 1.098 1190 N HN 0.724 nan 8.380 nan 0.000 0.450 1191 I N -0.122 120.579 120.570 0.219 0.000 2.647 1191 I HA 0.496 4.666 4.170 -0.000 0.000 0.295 1191 I C 0.277 176.624 176.117 0.385 0.000 1.078 1191 I CA -0.905 60.583 61.300 0.314 0.000 1.048 1191 I CB 2.479 40.592 38.000 0.189 0.000 1.239 1191 I HN 0.427 nan 8.210 nan 0.000 0.421 1192 G N 5.673 114.703 108.800 0.383 0.000 2.662 1192 G HA2 0.729 4.689 3.960 -0.000 0.000 0.302 1192 G HA3 0.729 4.689 3.960 -0.000 0.000 0.302 1192 G C -1.380 173.672 174.900 0.254 0.000 1.389 1192 G CA -0.467 44.823 45.100 0.317 0.000 0.998 1192 G HN 0.378 nan 8.290 nan 0.000 0.502 1193 L N 1.101 122.445 121.223 0.201 0.000 2.334 1193 L HA 0.619 4.959 4.340 -0.000 0.000 0.272 1193 L C -0.289 176.664 176.870 0.139 0.000 1.020 1193 L CA -0.972 53.984 54.840 0.195 0.000 0.812 1193 L CB 2.024 44.171 42.059 0.147 0.000 1.264 1193 L HN 0.198 nan 8.230 nan 0.000 0.439 1194 L N 1.037 122.338 121.223 0.130 0.000 2.341 1194 L HA 0.620 4.960 4.340 -0.000 0.000 0.278 1194 L C 0.446 177.353 176.870 0.061 0.000 1.005 1194 L CA -0.472 54.418 54.840 0.083 0.000 0.818 1194 L CB 1.787 43.886 42.059 0.067 0.000 1.259 1194 L HN 0.677 nan 8.230 nan 0.000 0.418 1195 G N 1.291 110.109 108.800 0.030 0.000 2.535 1195 G HA2 0.274 4.234 3.960 -0.000 0.000 0.303 1195 G HA3 0.274 4.234 3.960 -0.000 0.000 0.303 1195 G C -0.865 174.008 174.900 -0.045 0.000 1.237 1195 G CA -0.570 44.530 45.100 0.001 0.000 0.986 1195 G HN 0.524 nan 8.290 nan 0.000 0.494 1196 K N 0.089 120.422 120.400 -0.112 0.000 2.310 1196 K HA 0.278 4.598 4.320 -0.000 0.000 0.290 1196 K C 1.086 177.589 176.600 -0.162 0.000 1.077 1196 K CA -0.017 56.139 56.287 -0.219 0.000 0.922 1196 K CB 0.483 32.708 32.500 -0.458 0.000 1.057 1196 K HN 0.450 nan 8.250 nan 0.000 0.479 1197 G N 3.515 112.249 108.800 -0.109 0.000 3.042 1197 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.212 1197 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.212 1197 G C -0.029 174.832 174.900 -0.065 0.000 1.166 1197 G CA -0.288 44.767 45.100 -0.075 0.000 0.767 1197 G HN 0.612 nan 8.290 nan 0.000 0.546 1198 N N 0.435 119.086 118.700 -0.081 0.000 2.605 1198 N HA 0.435 5.175 4.740 -0.000 0.000 0.258 1198 N C -1.030 174.453 175.510 -0.044 0.000 1.156 1198 N CA 0.134 53.167 53.050 -0.028 0.000 1.008 1198 N CB 1.701 40.224 38.487 0.060 0.000 1.354 1198 N HN 0.031 nan 8.380 nan 0.000 0.509 1199 V N 0.543 120.437 119.914 -0.033 0.000 3.177 1199 V HA 0.271 4.391 4.120 -0.000 0.000 0.287 1199 V C -0.388 175.694 176.094 -0.020 0.000 1.465 1199 V CA -0.567 61.715 62.300 -0.030 0.000 1.020 1199 V CB 2.252 34.046 31.823 -0.048 0.000 1.152 1199 V HN 0.426 nan 8.190 nan 0.000 0.448 1200 S N 2.753 118.444 115.700 -0.014 0.000 2.575 1200 S HA 0.203 4.673 4.470 -0.000 0.000 0.237 1200 S C -0.013 174.579 174.600 -0.013 0.000 0.975 1200 S CA 0.027 58.221 58.200 -0.012 0.000 0.960 1200 S CB 0.014 63.209 63.200 -0.007 0.000 0.822 1200 S HN 0.726 nan 8.310 nan 0.000 0.472 1201 Q N 2.406 122.196 119.800 -0.016 0.000 2.381 1201 Q HA 0.353 4.693 4.340 -0.000 0.000 0.263 1201 Q C -2.073 173.917 176.000 -0.018 0.000 1.030 1201 Q CA -2.082 53.712 55.803 -0.015 0.000 0.772 1201 Q CB 1.505 30.234 28.738 -0.015 0.000 1.232 1201 Q HN -0.061 nan 8.270 nan 0.000 0.476 1202 P HA -0.189 nan 4.420 nan 0.000 0.216 1202 P C 0.005 177.296 177.300 -0.015 0.000 1.150 1202 P CA 1.166 64.257 63.100 -0.016 0.000 0.837 1202 P CB 0.455 32.147 31.700 -0.014 0.000 0.786 1203 D N 0.217 120.609 120.400 -0.013 0.000 2.182 1203 D HA -0.103 4.537 4.640 -0.000 0.000 0.201 1203 D C 2.114 178.406 176.300 -0.013 0.000 0.986 1203 D CA 1.493 55.486 54.000 -0.011 0.000 0.847 1203 D CB -0.609 40.185 40.800 -0.009 0.000 0.942 1203 D HN 0.140 nan 8.370 nan 0.000 0.467 1204 A N 0.227 123.036 122.820 -0.018 0.000 2.019 1204 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 1204 A C 2.316 179.885 177.584 -0.026 0.000 1.164 1204 A CA 0.780 52.804 52.037 -0.023 0.000 0.644 1204 A CB -0.409 18.573 19.000 -0.031 0.000 0.805 1204 A HN 0.216 nan 8.150 nan 0.000 0.449 1205 L N -1.709 119.499 121.223 -0.025 0.000 2.168 1205 L HA -0.024 4.316 4.340 -0.000 0.000 0.203 1205 L C 2.742 179.603 176.870 -0.014 0.000 1.078 1205 L CA 0.690 55.515 54.840 -0.025 0.000 0.780 1205 L CB -0.477 41.566 42.059 -0.027 0.000 0.939 1205 L HN 0.290 nan 8.230 nan 0.000 0.451 1206 R N 0.402 120.895 120.500 -0.011 0.000 2.105 1206 R HA -0.188 4.152 4.340 -0.000 0.000 0.239 1206 R C 2.098 178.397 176.300 -0.001 0.000 1.135 1206 R CA 1.416 57.513 56.100 -0.006 0.000 0.967 1206 R CB -0.308 29.989 30.300 -0.006 0.000 0.861 1206 R HN 0.440 nan 8.270 nan 0.000 0.442 1207 E N 0.711 120.910 120.200 -0.002 0.000 2.085 1207 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 1207 E C 2.154 178.759 176.600 0.008 0.000 0.994 1207 E CA 1.310 57.713 56.400 0.004 0.000 0.801 1207 E CB -0.010 29.692 29.700 0.003 0.000 0.743 1207 E HN 0.456 nan 8.360 nan 0.000 0.453 1208 Q N 0.131 119.933 119.800 0.005 0.000 2.079 1208 Q HA -0.120 4.220 4.340 -0.000 0.000 0.200 1208 Q C 2.419 178.428 176.000 0.015 0.000 0.974 1208 Q CA 1.262 57.071 55.803 0.011 0.000 0.840 1208 Q CB 0.041 28.779 28.738 -0.000 0.000 0.898 1208 Q HN 0.164 nan 8.270 nan 0.000 0.430 1209 V N 1.094 121.015 119.914 0.011 0.000 2.343 1209 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 1209 V C 2.281 178.386 176.094 0.018 0.000 1.051 1209 V CA 1.801 64.111 62.300 0.017 0.000 1.036 1209 V CB -0.991 30.839 31.823 0.011 0.000 0.654 1209 V HN 0.367 nan 8.190 nan 0.000 0.451 1210 A N -0.073 122.755 122.820 0.013 0.000 2.070 1210 A HA -0.010 4.310 4.320 -0.000 0.000 0.220 1210 A C 2.314 179.906 177.584 0.012 0.000 1.159 1210 A CA 1.764 53.808 52.037 0.012 0.000 0.656 1210 A CB -0.540 18.465 19.000 0.008 0.000 0.800 1210 A HN 0.574 nan 8.150 nan 0.000 0.453 1211 A N -2.123 120.706 122.820 0.014 0.000 2.067 1211 A HA 0.392 4.712 4.320 -0.000 0.000 0.217 1211 A C 1.789 179.380 177.584 0.012 0.000 1.156 1211 A CA 1.736 53.781 52.037 0.012 0.000 0.683 1211 A CB -0.363 18.648 19.000 0.019 0.000 0.808 1211 A HN 1.556 nan 8.150 nan 0.000 0.455 1212 G N -1.825 106.989 108.800 0.023 0.000 3.246 1212 G HA2 0.053 4.013 3.960 -0.000 0.000 0.218 1212 G HA3 0.053 4.013 3.960 -0.000 0.000 0.218 1212 G C 0.345 175.277 174.900 0.053 0.000 0.978 1212 G CA 0.099 45.218 45.100 0.032 0.000 0.825 1212 G HN 1.369 nan 8.290 nan 0.000 0.546 1213 V N 1.295 121.240 119.914 0.052 0.000 2.843 1213 V HA 0.580 4.699 4.120 -0.000 0.000 0.305 1213 V C 1.638 177.777 176.094 0.075 0.000 1.065 1213 V CA 0.236 62.577 62.300 0.068 0.000 1.116 1213 V CB 1.120 32.977 31.823 0.056 0.000 0.968 1213 V HN 0.833 nan 8.190 nan 0.000 0.487 1214 I N 0.540 121.169 120.570 0.097 0.000 3.928 1214 I HA 0.756 4.926 4.170 -0.000 0.000 0.335 1214 I C 0.643 176.820 176.117 0.100 0.000 1.325 1214 I CA 0.356 61.717 61.300 0.102 0.000 1.107 1214 I CB -0.229 37.845 38.000 0.123 0.000 1.014 1214 I HN 0.899 nan 8.210 nan 0.000 0.400 1215 G N 0.835 109.685 108.800 0.084 0.000 2.506 1215 G HA2 0.620 4.580 3.960 -0.000 0.000 0.292 1215 G HA3 0.620 4.580 3.960 -0.000 0.000 0.292 1215 G C -1.648 173.271 174.900 0.033 0.000 1.425 1215 G CA -0.701 44.442 45.100 0.072 0.000 0.788 1215 G HN 0.089 nan 8.290 nan 0.000 0.490 1219 N N 4.650 123.439 118.700 0.148 0.000 2.258 1219 N HA 0.303 5.043 4.740 -0.000 0.000 0.299 1219 N C 0.850 176.357 175.510 -0.004 0.000 1.047 1219 N CA -0.380 52.716 53.050 0.077 0.000 0.814 1219 N CB 2.432 41.012 38.487 0.155 0.000 1.413 1219 N HN 0.797 nan 8.380 nan 0.000 0.478 1220 E N 1.753 121.847 120.200 -0.177 0.000 2.209 1220 E HA -0.196 4.154 4.350 -0.000 0.000 0.196 1220 E C -0.136 176.375 176.600 -0.149 0.000 0.993 1220 E CA 1.366 57.692 56.400 -0.122 0.000 0.819 1220 E CB 0.061 29.707 29.700 -0.089 0.000 0.745 1220 E HN 0.446 nan 8.360 nan 0.000 0.477 1221 D N 0.175 120.425 120.400 -0.249 0.000 2.264 1221 D HA -0.118 4.522 4.640 -0.000 0.000 0.208 1221 D C 0.598 176.715 176.300 -0.304 0.000 0.966 1221 D CA 0.922 54.742 54.000 -0.299 0.000 0.864 1221 D CB -0.229 40.339 40.800 -0.387 0.000 0.933 1221 D HN 0.496 nan 8.370 nan 0.000 0.499 1222 W N 0.346 121.628 121.300 -0.031 0.000 3.220 1222 W HA 0.398 5.058 4.660 -0.000 0.000 0.328 1222 W C 0.584 177.086 176.519 -0.028 0.000 1.205 1222 W CA -0.074 57.261 57.345 -0.017 0.000 1.773 1222 W CB 0.853 30.308 29.460 -0.008 0.000 1.086 1222 W HN -0.071 nan 8.180 nan 0.000 0.622 1223 G N 1.345 110.224 108.800 0.132 0.000 2.780 1223 G HA2 0.074 4.034 3.960 -0.000 0.000 0.364 1223 G HA3 0.074 4.034 3.960 -0.000 0.000 0.364 1223 G C -0.261 174.670 174.900 0.053 0.000 1.045 1223 G CA -0.597 44.542 45.100 0.065 0.000 1.202 1223 G HN 0.404 nan 8.290 nan 0.000 0.534 1224 A N 2.251 125.085 122.820 0.023 0.000 3.091 1224 A HA 0.684 5.004 4.320 -0.000 0.000 0.264 1224 A C 1.230 178.823 177.584 0.015 0.000 1.673 1224 A CA 0.828 52.881 52.037 0.026 0.000 1.362 1224 A CB -0.479 18.541 19.000 0.033 0.000 1.137 1224 A HN 1.997 nan 8.150 nan 0.000 0.617 1225 T N -2.205 112.357 114.554 0.014 0.000 2.902 1225 T HA 0.458 4.808 4.350 -0.000 0.000 0.280 1225 T C -1.887 172.821 174.700 0.013 0.000 0.992 1225 T CA -1.711 60.394 62.100 0.008 0.000 1.015 1225 T CB 1.154 70.023 68.868 0.001 0.000 1.044 1225 T HN 0.084 nan 8.240 nan 0.000 0.520 1226 P HA -0.032 nan 4.420 nan 0.000 0.216 1226 P C 1.638 178.938 177.300 0.001 0.000 1.150 1226 P CA 1.371 64.476 63.100 0.008 0.000 0.837 1226 P CB -0.242 31.460 31.700 0.004 0.000 0.786 1227 A N -0.064 122.755 122.820 -0.001 0.000 1.902 1227 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 1227 A C 2.306 179.888 177.584 -0.004 0.000 1.181 1227 A CA 2.076 54.111 52.037 -0.004 0.000 0.623 1227 A CB -1.578 17.420 19.000 -0.004 0.000 0.818 1227 A HN 0.194 nan 8.150 nan 0.000 0.443 1228 A N -0.102 122.718 122.820 -0.000 0.000 1.873 1228 A HA -0.051 4.269 4.320 -0.000 0.000 0.215 1228 A C 2.125 179.705 177.584 -0.007 0.000 1.186 1228 A CA 1.456 53.492 52.037 -0.002 0.000 0.616 1228 A CB -0.607 18.399 19.000 0.009 0.000 0.823 1228 A HN 0.481 nan 8.150 nan 0.000 0.442 1229 I N -0.160 120.408 120.570 -0.003 0.000 2.163 1229 I HA -0.275 3.895 4.170 -0.000 0.000 0.243 1229 I C 2.337 178.443 176.117 -0.018 0.000 1.085 1229 I CA 1.973 63.267 61.300 -0.010 0.000 1.347 1229 I CB -0.382 37.617 38.000 -0.003 0.000 1.044 1229 I HN 0.434 nan 8.210 nan 0.000 0.408 1230 D N 0.153 120.544 120.400 -0.014 0.000 2.097 1230 D HA -0.239 4.401 4.640 -0.000 0.000 0.195 1230 D C 2.320 178.609 176.300 -0.018 0.000 0.989 1230 D CA 1.379 55.369 54.000 -0.016 0.000 0.827 1230 D CB -0.229 40.563 40.800 -0.013 0.000 0.966 1230 D HN 0.393 nan 8.370 nan 0.000 0.456 1231 C N 0.123 119.413 119.300 -0.016 0.000 2.413 1231 C HA -0.014 4.446 4.460 -0.000 0.000 0.276 1231 C C 2.897 177.874 174.990 -0.022 0.000 1.236 1231 C CA 1.688 60.695 59.018 -0.018 0.000 1.735 1231 C CB -1.505 26.225 27.740 -0.017 0.000 2.031 1231 C HN 0.449 nan 8.230 nan 0.000 0.474 1232 A N -0.056 122.749 122.820 -0.025 0.000 1.902 1232 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 1232 A C 2.172 179.736 177.584 -0.033 0.000 1.181 1232 A CA 1.694 53.712 52.037 -0.031 0.000 0.623 1232 A CB -0.670 18.308 19.000 -0.037 0.000 0.818 1232 A HN 0.671 nan 8.150 nan 0.000 0.443 1233 L N -0.710 120.494 121.223 -0.033 0.000 2.141 1233 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 1233 L C 2.698 179.550 176.870 -0.029 0.000 1.094 1233 L CA 1.562 56.381 54.840 -0.035 0.000 0.763 1233 L CB -0.682 41.355 42.059 -0.035 0.000 0.908 1233 L HN 0.344 nan 8.230 nan 0.000 0.437 1234 T N -0.797 113.743 114.554 -0.024 0.000 2.777 1234 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 1234 T C 1.973 176.661 174.700 -0.020 0.000 1.040 1234 T CA 1.205 63.293 62.100 -0.020 0.000 1.141 1234 T CB -0.120 68.737 68.868 -0.017 0.000 0.868 1234 T HN 0.059 nan 8.240 nan 0.000 0.444 1235 V N 1.582 121.484 119.914 -0.020 0.000 2.453 1235 V HA -0.081 4.039 4.120 -0.000 0.000 0.247 1235 V C 2.851 178.934 176.094 -0.019 0.000 1.048 1235 V CA 1.429 63.719 62.300 -0.018 0.000 1.049 1235 V CB -1.110 30.702 31.823 -0.018 0.000 0.672 1235 V HN 0.507 nan 8.190 nan 0.000 0.457 1236 A N -0.058 122.748 122.820 -0.024 0.000 1.902 1236 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 1236 A C 1.981 179.550 177.584 -0.026 0.000 1.181 1236 A CA 2.012 54.033 52.037 -0.027 0.000 0.623 1236 A CB -0.579 18.398 19.000 -0.037 0.000 0.818 1236 A HN 0.512 nan 8.150 nan 0.000 0.443 1237 D N -0.444 119.941 120.400 -0.026 0.000 2.178 1237 D HA -0.096 4.544 4.640 -0.000 0.000 0.202 1237 D C 1.922 178.211 176.300 -0.019 0.000 0.974 1237 D CA 1.173 55.159 54.000 -0.024 0.000 0.841 1237 D CB -0.233 40.554 40.800 -0.023 0.000 0.953 1237 D HN 0.653 nan 8.370 nan 0.000 0.478 1238 E N -0.371 119.819 120.200 -0.017 0.000 2.046 1238 E HA 0.010 4.359 4.350 -0.000 0.000 0.190 1238 E C 1.649 178.242 176.600 -0.011 0.000 0.982 1238 E CA 0.669 57.061 56.400 -0.013 0.000 0.800 1238 E CB 0.071 29.764 29.700 -0.011 0.000 0.756 1238 E HN 0.267 nan 8.360 nan 0.000 0.449 1239 M N 0.395 119.989 119.600 -0.010 0.000 2.431 1239 M HA 0.081 4.561 4.480 -0.000 0.000 0.237 1239 M C -0.219 176.078 176.300 -0.004 0.000 1.130 1239 M CA -0.041 55.256 55.300 -0.005 0.000 1.002 1239 M CB 0.519 33.118 32.600 -0.001 0.000 1.524 1239 M HN -0.148 nan 8.290 nan 0.000 0.482 1240 D N 2.879 123.272 120.400 -0.011 0.000 2.705 1240 D HA -0.155 4.485 4.640 -0.000 0.000 0.240 1240 D C -1.067 175.229 176.300 -0.008 0.000 1.137 1240 D CA 0.638 54.629 54.000 -0.014 0.000 0.677 1240 D CB -0.771 40.020 40.800 -0.015 0.000 1.049 1240 D HN 0.536 nan 8.370 nan 0.000 0.427 1241 I N -2.491 118.073 120.570 -0.011 0.000 3.002 1241 I HA 0.717 4.886 4.170 -0.000 0.000 0.310 1241 I C -0.034 176.067 176.117 -0.028 0.000 1.087 1241 I CA -1.175 60.124 61.300 -0.001 0.000 1.017 1241 I CB 1.529 39.538 38.000 0.015 0.000 1.226 1241 I HN -0.121 nan 8.210 nan 0.000 0.443 1242 Q N 1.616 121.398 119.800 -0.029 0.000 2.214 1242 Q HA 0.744 5.084 4.340 -0.000 0.000 0.251 1242 Q C -1.456 174.500 176.000 -0.073 0.000 0.936 1242 Q CA -0.607 55.137 55.803 -0.098 0.000 0.894 1242 Q CB 1.904 30.484 28.738 -0.263 0.000 1.252 1242 Q HN 0.648 nan 8.270 nan 0.000 0.448 1243 V N 2.053 121.899 119.914 -0.114 0.000 2.495 1243 V HA 0.850 4.970 4.120 -0.000 0.000 0.298 1243 V C -0.722 175.241 176.094 -0.218 0.000 1.031 1243 V CA -0.717 61.506 62.300 -0.129 0.000 0.871 1243 V CB 1.393 33.152 31.823 -0.106 0.000 0.988 1243 V HN 0.857 nan 8.190 nan 0.000 0.432 1244 A N 4.957 127.567 122.820 -0.350 0.000 2.330 1244 A HA 0.901 5.221 4.320 -0.000 0.000 0.327 1244 A C -1.140 176.067 177.584 -0.628 0.000 1.155 1244 A CA -0.496 51.073 52.037 -0.781 0.000 0.803 1244 A CB 1.264 19.432 19.000 -1.388 0.000 1.208 1244 A HN 0.821 nan 8.150 nan 0.000 0.477 1245 L N 1.985 122.862 121.223 -0.576 0.000 2.362 1245 L HA 0.567 4.907 4.340 -0.000 0.000 0.275 1245 L C -0.554 176.254 176.870 -0.104 0.000 0.998 1245 L CA -0.196 54.495 54.840 -0.249 0.000 0.820 1245 L CB 1.671 43.653 42.059 -0.129 0.000 1.270 1245 L HN 0.809 nan 8.230 nan 0.000 0.415 1246 H N 3.235 122.292 119.070 -0.021 0.000 2.792 1246 H HA 0.571 5.127 4.556 -0.000 0.000 0.298 1246 H C -0.402 174.993 175.328 0.111 0.000 1.042 1246 H CA -0.389 55.770 56.048 0.186 0.000 1.300 1246 H CB 0.913 30.871 29.762 0.327 0.000 1.431 1246 H HN 0.823 nan 8.280 nan 0.000 0.496 1247 S N 2.604 118.467 115.700 0.271 0.000 2.641 1247 S HA -0.027 4.443 4.470 -0.000 0.000 0.261 1247 S C 0.400 175.025 174.600 0.042 0.000 1.257 1247 S CA -0.896 57.389 58.200 0.142 0.000 0.983 1247 S CB 0.962 64.252 63.200 0.152 0.000 0.990 1247 S HN 0.750 nan 8.310 nan 0.000 0.572 1248 D N 0.539 120.788 120.400 -0.252 0.000 2.385 1248 D HA 0.167 4.807 4.640 -0.000 0.000 0.260 1248 D C 1.001 177.009 176.300 -0.487 0.000 1.326 1248 D CA 0.133 53.918 54.000 -0.359 0.000 1.023 1248 D CB -0.202 40.388 40.800 -0.350 0.000 1.083 1248 D HN 0.539 nan 8.370 nan 0.000 0.517 1249 T N 3.574 118.039 114.554 -0.149 0.000 2.720 1249 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 1249 T C 1.973 176.664 174.700 -0.015 0.000 1.037 1249 T CA 0.759 62.853 62.100 -0.010 0.000 1.144 1249 T CB -0.028 68.976 68.868 0.227 0.000 0.864 1249 T HN 0.439 nan 8.240 nan 0.000 0.444 1250 L N 0.947 122.095 121.223 -0.125 0.000 2.450 1250 L HA -0.018 4.322 4.340 -0.000 0.000 0.224 1250 L C 0.743 177.577 176.870 -0.059 0.000 1.149 1250 L CA 0.326 55.081 54.840 -0.141 0.000 0.816 1250 L CB -0.771 41.121 42.059 -0.278 0.000 0.932 1250 L HN 0.294 nan 8.230 nan 0.000 0.449 1251 N N -0.057 118.616 118.700 -0.045 0.000 2.714 1251 N HA -0.268 4.472 4.740 -0.000 0.000 0.250 1251 N C 1.124 176.551 175.510 -0.138 0.000 1.117 1251 N CA 1.280 54.336 53.050 0.010 0.000 0.719 1251 N CB -1.074 37.498 38.487 0.143 0.000 1.081 1251 N HN 0.576 nan 8.380 nan 0.000 0.557 1252 E N 0.459 120.585 120.200 -0.124 0.000 2.077 1252 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 1252 E C 1.476 178.005 176.600 -0.119 0.000 0.989 1252 E CA 1.709 58.033 56.400 -0.125 0.000 0.800 1252 E CB 0.116 29.742 29.700 -0.124 0.000 0.746 1252 E HN 0.541 nan 8.360 nan 0.000 0.452 1253 S N -1.258 114.387 115.700 -0.093 0.000 2.524 1253 S HA 0.391 4.861 4.470 -0.000 0.000 0.215 1253 S C 0.536 175.088 174.600 -0.081 0.000 0.986 1253 S CA 0.076 58.234 58.200 -0.070 0.000 0.911 1253 S CB 1.292 64.472 63.200 -0.032 0.000 0.805 1253 S HN 0.393 nan 8.310 nan 0.000 0.501 1254 G N -0.062 108.666 108.800 -0.119 0.000 2.337 1254 G HA2 0.386 4.346 3.960 -0.000 0.000 0.298 1254 G HA3 0.386 4.346 3.960 -0.000 0.000 0.298 1254 G C -1.254 173.563 174.900 -0.138 0.000 1.335 1254 G CA -1.125 43.864 45.100 -0.185 0.000 0.875 1254 G HN 0.173 nan 8.290 nan 0.000 0.579 1255 F N -1.022 118.937 119.950 0.015 0.000 2.403 1255 F HA 0.519 5.046 4.527 -0.000 0.000 0.326 1255 F C 1.852 177.299 175.800 -0.589 0.000 1.099 1255 F CA -0.041 57.889 58.000 -0.116 0.000 1.036 1255 F CB 1.555 40.518 39.000 -0.062 0.000 1.336 1255 F HN 0.331 nan 8.300 nan 0.000 0.497 1256 V N 1.573 121.150 119.914 -0.562 0.000 2.370 1256 V HA -0.274 3.845 4.120 -0.000 0.000 0.252 1256 V C 2.234 178.161 176.094 -0.277 0.000 1.068 1256 V CA 2.589 64.495 62.300 -0.656 0.000 1.061 1256 V CB -0.570 31.108 31.823 -0.241 0.000 0.656 1256 V HN 0.850 nan 8.190 nan 0.000 0.455 1257 E N -1.011 119.121 120.200 -0.112 0.000 2.204 1257 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 1257 E C 1.698 178.270 176.600 -0.045 0.000 0.989 1257 E CA 1.699 58.069 56.400 -0.051 0.000 0.824 1257 E CB -0.682 29.022 29.700 0.007 0.000 0.756 1257 E HN 0.693 nan 8.360 nan 0.000 0.477 1258 D N 0.939 121.317 120.400 -0.036 0.000 2.123 1258 D HA -0.068 4.572 4.640 -0.000 0.000 0.200 1258 D C 1.771 178.056 176.300 -0.025 0.000 0.976 1258 D CA 1.604 55.594 54.000 -0.017 0.000 0.831 1258 D CB -0.093 40.705 40.800 -0.003 0.000 0.974 1258 D HN 0.198 nan 8.370 nan 0.000 0.469 1259 T N 1.620 116.150 114.554 -0.040 0.000 2.708 1259 T HA -0.079 4.271 4.350 -0.000 0.000 0.266 1259 T C 2.261 176.935 174.700 -0.043 0.000 1.037 1259 T CA 0.519 62.626 62.100 0.012 0.000 1.146 1259 T CB -0.240 68.694 68.868 0.110 0.000 0.865 1259 T HN 0.089 nan 8.240 nan 0.000 0.435 1260 L N 0.598 121.762 121.223 -0.099 0.000 2.083 1260 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 1260 L C 2.944 179.751 176.870 -0.106 0.000 1.083 1260 L CA 1.185 55.931 54.840 -0.156 0.000 0.752 1260 L CB -0.562 41.346 42.059 -0.251 0.000 0.899 1260 L HN 0.248 nan 8.230 nan 0.000 0.433 1261 A N -0.189 122.593 122.820 -0.063 0.000 1.898 1261 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 1261 A C 2.519 180.086 177.584 -0.029 0.000 1.181 1261 A CA 1.516 53.532 52.037 -0.035 0.000 0.620 1261 A CB -0.628 18.362 19.000 -0.017 0.000 0.819 1261 A HN 0.390 nan 8.150 nan 0.000 0.442 1262 A N 0.030 122.835 122.820 -0.025 0.000 1.933 1262 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 1262 A C 2.067 179.636 177.584 -0.025 0.000 1.175 1262 A CA 1.483 53.510 52.037 -0.018 0.000 0.628 1262 A CB -0.614 18.383 19.000 -0.006 0.000 0.814 1262 A HN 0.506 nan 8.150 nan 0.000 0.444 1263 I N -0.500 120.047 120.570 -0.038 0.000 2.361 1263 I HA -0.098 4.072 4.170 -0.000 0.000 0.251 1263 I C 1.773 177.867 176.117 -0.040 0.000 1.133 1263 I CA 0.895 62.168 61.300 -0.045 0.000 1.413 1263 I CB -0.674 37.287 38.000 -0.066 0.000 1.073 1263 I HN 0.476 nan 8.210 nan 0.000 0.424 1264 G N 1.107 109.885 108.800 -0.038 0.000 2.356 1264 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.296 1264 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.296 1264 G C 0.997 175.885 174.900 -0.020 0.000 1.022 1264 G CA 0.448 45.533 45.100 -0.025 0.000 0.961 1264 G HN 0.925 nan 8.290 nan 0.000 0.510 1265 G N -1.707 107.080 108.800 -0.022 0.000 2.184 1265 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.264 1265 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.264 1265 G C 0.586 175.476 174.900 -0.017 0.000 0.975 1265 G CA 1.042 46.137 45.100 -0.009 0.000 0.642 1265 G HN 1.041 nan 8.290 nan 0.000 0.536 1266 R N 0.687 121.171 120.500 -0.027 0.000 2.490 1266 R HA 0.475 4.815 4.340 -0.000 0.000 0.278 1266 R C 0.420 176.696 176.300 -0.040 0.000 1.069 1266 R CA 0.021 56.102 56.100 -0.032 0.000 1.080 1266 R CB 0.446 30.725 30.300 -0.034 0.000 1.030 1266 R HN 0.150 nan 8.270 nan 0.000 0.491 1267 T N 3.103 117.630 114.554 -0.045 0.000 2.902 1267 T HA 0.191 4.541 4.350 -0.000 0.000 0.301 1267 T C 0.165 174.824 174.700 -0.068 0.000 1.012 1267 T CA 0.443 62.509 62.100 -0.056 0.000 1.151 1267 T CB 0.052 68.882 68.868 -0.064 0.000 0.946 1267 T HN 0.387 nan 8.240 nan 0.000 0.542 1268 I N 1.726 122.255 120.570 -0.070 0.000 2.841 1268 I HA 0.269 4.439 4.170 -0.000 0.000 0.298 1268 I C -0.880 175.210 176.117 -0.045 0.000 1.304 1268 I CA -0.902 60.352 61.300 -0.077 0.000 1.019 1268 I CB 2.218 40.171 38.000 -0.079 0.000 1.282 1268 I HN 0.737 nan 8.210 nan 0.000 0.432 1269 H N 5.281 124.227 119.070 -0.207 0.000 2.556 1269 H HA 0.419 4.975 4.556 -0.000 0.000 0.310 1269 H C -0.894 174.299 175.328 -0.225 0.000 1.057 1269 H CA -0.594 55.337 56.048 -0.196 0.000 1.264 1269 H CB 1.042 30.675 29.762 -0.215 0.000 1.404 1269 H HN 0.605 nan 8.280 nan 0.000 0.462 1270 T N 3.553 118.143 114.554 0.061 0.000 2.728 1270 T HA 0.194 4.544 4.350 -0.000 0.000 0.296 1270 T C -0.027 174.649 174.700 -0.040 0.000 0.940 1270 T CA -0.770 61.279 62.100 -0.086 0.000 1.013 1270 T CB 0.166 68.998 68.868 -0.061 0.000 0.912 1270 T HN 0.193 nan 8.240 nan 0.000 0.484 1271 F N 3.477 123.171 119.950 -0.427 0.000 2.406 1271 F HA 0.239 4.766 4.527 -0.000 0.000 0.327 1271 F C 1.545 176.957 175.800 -0.648 0.000 1.153 1271 F CA -1.001 56.660 58.000 -0.564 0.000 1.218 1271 F CB -0.186 38.350 39.000 -0.773 0.000 1.215 1271 F HN 0.941 nan 8.300 nan 0.000 0.570 1272 H N -1.243 117.980 119.070 0.255 0.000 2.041 1272 H HA -0.198 4.358 4.556 -0.000 0.000 0.325 1272 H C 0.741 176.136 175.328 0.112 0.000 0.902 1272 H CA 0.468 56.609 56.048 0.154 0.000 1.073 1272 H CB -2.420 27.404 29.762 0.102 0.000 1.583 1272 H HN 0.510 nan 8.280 nan 0.000 0.331 1273 T N -0.756 113.872 114.554 0.122 0.000 2.946 1273 T HA -0.212 4.137 4.350 -0.000 0.000 0.271 1273 T C 1.770 176.621 174.700 0.251 0.000 1.104 1273 T CA 1.227 63.352 62.100 0.042 0.000 1.114 1273 T CB 0.045 68.669 68.868 -0.407 0.000 0.867 1273 T HN 0.689 nan 8.240 nan 0.000 0.513 1274 E N 0.835 121.268 120.200 0.387 0.000 2.150 1274 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 1274 E C 1.912 178.594 176.600 0.136 0.000 0.985 1274 E CA 1.183 57.757 56.400 0.289 0.000 0.814 1274 E CB -0.273 29.557 29.700 0.218 0.000 0.752 1274 E HN 0.589 nan 8.360 nan 0.000 0.466 1275 G N -0.136 108.741 108.800 0.127 0.000 2.307 1275 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.210 1275 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.210 1275 G C 1.396 176.257 174.900 -0.065 0.000 1.005 1275 G CA 0.627 45.747 45.100 0.033 0.000 0.634 1275 G HN 0.555 nan 8.290 nan 0.000 0.496 1276 A N 0.796 123.579 122.820 -0.061 0.000 1.917 1276 A HA 0.265 4.585 4.320 -0.000 0.000 0.219 1276 A C 2.658 180.170 177.584 -0.120 0.000 1.182 1276 A CA 2.569 54.556 52.037 -0.083 0.000 0.633 1276 A CB -0.976 17.975 19.000 -0.082 0.000 0.819 1276 A HN 1.695 nan 8.150 nan 0.000 0.448 1277 G N -1.687 106.975 108.800 -0.229 0.000 2.848 1277 G HA2 0.437 4.397 3.960 -0.000 0.000 0.208 1277 G HA3 0.437 4.397 3.960 -0.000 0.000 0.208 1277 G C 0.678 175.035 174.900 -0.904 0.000 1.152 1277 G CA 0.786 45.595 45.100 -0.485 0.000 0.789 1277 G HN 1.665 nan 8.290 nan 0.000 0.531 1278 G N -2.203 106.171 108.800 -0.710 0.000 2.435 1278 G HA2 0.572 4.532 3.960 -0.000 0.000 0.603 1278 G HA3 0.572 4.532 3.960 -0.000 0.000 0.603 1278 G C -0.311 174.385 174.900 -0.341 0.000 1.496 1278 G CA -0.095 44.594 45.100 -0.686 0.000 0.896 1278 G HN 1.787 nan 8.290 nan 0.000 0.657 1279 G N 0.550 109.286 108.800 -0.108 0.000 2.317 1279 G HA2 0.480 4.440 3.960 -0.000 0.000 0.445 1279 G HA3 0.480 4.440 3.960 -0.000 0.000 0.445 1279 G C -0.479 174.457 174.900 0.060 0.000 1.486 1279 G CA -0.438 44.679 45.100 0.029 0.000 0.991 1279 G HN 1.382 nan 8.290 nan 0.000 0.660 1280 H N 0.138 119.260 119.070 0.087 0.000 3.232 1280 H HA 0.218 4.774 4.556 -0.000 0.000 0.276 1280 H C 1.136 176.506 175.328 0.070 0.000 0.882 1280 H CA 1.550 57.656 56.048 0.096 0.000 1.415 1280 H CB 0.488 30.314 29.762 0.108 0.000 1.405 1280 H HN 0.950 nan 8.280 nan 0.000 0.543 1281 A N 6.947 129.866 122.820 0.165 0.000 2.328 1281 A HA 0.266 4.586 4.320 -0.000 0.000 0.284 1281 A C -1.514 176.117 177.584 0.078 0.000 1.160 1281 A CA -1.226 50.850 52.037 0.065 0.000 0.818 1281 A CB 0.618 19.646 19.000 0.046 0.000 1.087 1281 A HN 0.540 nan 8.150 nan 0.000 0.504 1282 P HA 0.165 nan 4.420 nan 0.000 0.290 1282 P C -0.632 176.636 177.300 -0.054 0.000 1.519 1282 P CA 0.152 63.155 63.100 -0.162 0.000 1.189 1282 P CB 0.480 31.885 31.700 -0.491 0.000 1.569 1283 D N -0.854 119.565 120.400 0.031 0.000 2.559 1283 D HA 0.036 4.676 4.640 -0.000 0.000 0.234 1283 D C 1.229 177.576 176.300 0.079 0.000 1.226 1283 D CA -0.658 53.371 54.000 0.049 0.000 0.830 1283 D CB -0.516 40.304 40.800 0.033 0.000 1.028 1283 D HN -0.032 nan 8.370 nan 0.000 0.492 1284 I N 0.557 121.192 120.570 0.109 0.000 2.567 1284 I HA -0.055 4.115 4.170 -0.000 0.000 0.257 1284 I C 1.667 177.851 176.117 0.112 0.000 1.184 1284 I CA 0.723 62.100 61.300 0.128 0.000 1.451 1284 I CB -0.155 37.938 38.000 0.155 0.000 1.089 1284 I HN 0.201 nan 8.210 nan 0.000 0.441 1285 I N 0.372 121.017 120.570 0.125 0.000 2.567 1285 I HA -0.297 3.873 4.170 -0.000 0.000 0.257 1285 I C 2.031 178.246 176.117 0.164 0.000 1.184 1285 I CA 1.726 63.135 61.300 0.182 0.000 1.451 1285 I CB -0.315 37.795 38.000 0.184 0.000 1.089 1285 I HN 0.478 nan 8.210 nan 0.000 0.441 1286 T N -1.540 113.085 114.554 0.118 0.000 3.098 1286 T HA 0.047 4.397 4.350 -0.000 0.000 0.266 1286 T C 1.823 176.620 174.700 0.161 0.000 1.145 1286 T CA 0.677 62.848 62.100 0.118 0.000 1.092 1286 T CB -0.380 68.545 68.868 0.095 0.000 0.908 1286 T HN 0.384 nan 8.240 nan 0.000 0.526 1287 A N 1.379 124.278 122.820 0.131 0.000 2.019 1287 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 1287 A C 2.619 180.297 177.584 0.157 0.000 1.164 1287 A CA 1.338 53.454 52.037 0.131 0.000 0.644 1287 A CB -1.538 17.477 19.000 0.025 0.000 0.805 1287 A HN 0.995 nan 8.150 nan 0.000 0.449 1288 C N -1.827 117.529 119.300 0.093 0.000 2.485 1288 C HA 0.433 4.893 4.460 -0.000 0.000 0.283 1288 C C 2.337 177.364 174.990 0.062 0.000 1.478 1288 C CA 0.014 59.066 59.018 0.056 0.000 1.741 1288 C CB -1.774 26.032 27.740 0.110 0.000 1.675 1288 C HN 0.632 nan 8.230 nan 0.000 0.573 1289 A N -0.562 122.294 122.820 0.060 0.000 2.132 1289 A HA 0.155 4.475 4.320 -0.000 0.000 0.213 1289 A C 0.954 178.413 177.584 -0.208 0.000 1.154 1289 A CA 0.184 52.168 52.037 -0.089 0.000 0.753 1289 A CB -0.568 18.331 19.000 -0.168 0.000 0.826 1289 A HN 0.843 nan 8.150 nan 0.000 0.469 1290 H N 0.137 119.202 119.070 -0.008 0.000 2.548 1290 H HA 0.153 4.709 4.556 -0.000 0.000 0.331 1290 H C -1.614 173.701 175.328 -0.021 0.000 1.093 1290 H CA -1.421 54.618 56.048 -0.015 0.000 1.367 1290 H CB 1.083 30.835 29.762 -0.017 0.000 1.455 1290 H HN 0.181 nan 8.280 nan 0.000 0.519 1291 P HA -0.142 nan 4.420 nan 0.000 0.221 1291 P C 0.802 178.114 177.300 0.019 0.000 1.150 1291 P CA 1.089 64.204 63.100 0.025 0.000 0.800 1291 P CB 0.358 32.065 31.700 0.012 0.000 0.787 1292 N N -0.436 118.285 118.700 0.036 0.000 2.336 1292 N HA 0.014 4.754 4.740 -0.000 0.000 0.189 1292 N C 0.327 175.829 175.510 -0.014 0.000 1.113 1292 N CA 0.139 53.191 53.050 0.002 0.000 0.858 1292 N CB -0.023 38.464 38.487 -0.001 0.000 0.970 1292 N HN 0.109 nan 8.380 nan 0.000 0.471 1293 I N 2.075 122.648 120.570 0.004 0.000 2.331 1293 I HA 0.255 4.425 4.170 -0.000 0.000 0.292 1293 I C -0.352 175.738 176.117 -0.045 0.000 0.998 1293 I CA -0.752 60.536 61.300 -0.019 0.000 1.267 1293 I CB 1.543 39.544 38.000 0.001 0.000 1.386 1293 I HN -0.077 nan 8.210 nan 0.000 0.476 1294 L N 8.744 129.928 121.223 -0.064 0.000 2.277 1294 L HA 0.435 4.775 4.340 -0.000 0.000 0.284 1294 L C -2.242 174.580 176.870 -0.080 0.000 1.028 1294 L CA -1.887 52.886 54.840 -0.111 0.000 0.835 1294 L CB 0.785 42.728 42.059 -0.194 0.000 1.215 1294 L HN 0.275 nan 8.230 nan 0.000 0.425 1295 P HA 0.363 nan 4.420 nan 0.000 0.296 1295 P C -0.678 176.497 177.300 -0.208 0.000 1.306 1295 P CA -0.278 62.681 63.100 -0.234 0.000 0.818 1295 P CB 1.994 33.389 31.700 -0.508 0.000 0.969 1296 S N 1.610 117.284 115.700 -0.044 0.000 2.634 1296 S HA 0.731 5.201 4.470 -0.000 0.000 0.296 1296 S C -0.396 174.289 174.600 0.141 0.000 1.104 1296 S CA -0.716 57.559 58.200 0.125 0.000 0.920 1296 S CB 1.220 64.659 63.200 0.399 0.000 1.111 1296 S HN 0.309 nan 8.310 nan 0.000 0.493 1297 S N 1.207 117.097 115.700 0.316 0.000 2.532 1297 S HA 0.773 5.243 4.470 -0.000 0.000 0.301 1297 S C 0.008 174.740 174.600 0.219 0.000 1.083 1297 S CA -0.758 57.667 58.200 0.375 0.000 1.025 1297 S CB 1.632 65.187 63.200 0.591 0.000 1.056 1297 S HN 0.976 nan 8.310 nan 0.000 0.494 1298 T N 0.187 114.841 114.554 0.168 0.000 2.881 1298 T HA 0.301 4.651 4.350 -0.000 0.000 0.278 1298 T C 0.955 175.677 174.700 0.038 0.000 0.982 1298 T CA -0.760 61.359 62.100 0.031 0.000 0.989 1298 T CB 0.402 69.246 68.868 -0.040 0.000 1.058 1298 T HN 0.587 nan 8.240 nan 0.000 0.529 1299 N N -0.575 118.110 118.700 -0.025 0.000 2.422 1299 N HA 0.115 4.855 4.740 -0.000 0.000 0.181 1299 N C -1.653 173.861 175.510 0.006 0.000 1.080 1299 N CA -0.590 52.450 53.050 -0.017 0.000 0.893 1299 N CB -1.258 37.195 38.487 -0.056 0.000 0.973 1299 N HN 0.361 nan 8.380 nan 0.000 0.456 1300 P HA -0.037 nan 4.420 nan 0.000 0.221 1300 P C 1.024 178.432 177.300 0.179 0.000 1.150 1300 P CA 1.613 64.759 63.100 0.077 0.000 0.800 1300 P CB -0.188 31.533 31.700 0.036 0.000 0.787 1301 T N -3.929 110.711 114.554 0.143 0.000 3.148 1301 T HA 0.123 4.473 4.350 -0.000 0.000 0.253 1301 T C 0.545 175.292 174.700 0.077 0.000 1.134 1301 T CA 0.207 62.351 62.100 0.073 0.000 1.051 1301 T CB -0.696 68.174 68.868 0.004 0.000 0.959 1301 T HN -0.037 nan 8.240 nan 0.000 0.525 1302 L N 3.308 124.572 121.223 0.068 0.000 2.265 1302 L HA 0.512 4.851 4.340 -0.000 0.000 0.289 1302 L C -2.352 174.544 176.870 0.043 0.000 1.033 1302 L CA -2.327 52.543 54.840 0.049 0.000 0.814 1302 L CB 1.468 43.530 42.059 0.005 0.000 1.203 1302 L HN 0.008 nan 8.230 nan 0.000 0.423 1303 P HA 0.121 nan 4.420 nan 0.000 0.289 1303 P C -1.298 176.095 177.300 0.156 0.000 1.300 1303 P CA -0.737 62.423 63.100 0.100 0.000 0.828 1303 P CB 1.043 32.800 31.700 0.094 0.000 1.235 1304 Y N 1.515 121.823 120.300 0.014 0.000 2.605 1304 Y HA 0.293 4.843 4.550 -0.000 0.000 0.336 1304 Y C 0.355 176.263 175.900 0.014 0.000 1.111 1304 Y CA 0.331 58.434 58.100 0.004 0.000 1.422 1304 Y CB -0.695 37.764 38.460 -0.001 0.000 1.193 1304 Y HN 0.400 nan 8.280 nan 0.000 0.526 1305 T N 2.713 117.238 114.554 -0.049 0.000 2.864 1305 T HA 0.397 4.747 4.350 -0.000 0.000 0.289 1305 T C 1.012 175.584 174.700 -0.212 0.000 1.082 1305 T CA -0.826 61.175 62.100 -0.166 0.000 1.009 1305 T CB 0.797 69.643 68.868 -0.037 0.000 1.234 1305 T HN 0.562 nan 8.240 nan 0.000 0.526 1306 L N 0.558 121.686 121.223 -0.158 0.000 2.042 1306 L HA -0.074 4.266 4.340 -0.000 0.000 0.210 1306 L C 2.200 179.049 176.870 -0.036 0.000 1.076 1306 L CA 1.340 56.115 54.840 -0.109 0.000 0.749 1306 L CB -0.523 41.494 42.059 -0.070 0.000 0.893 1306 L HN 0.667 nan 8.230 nan 0.000 0.432 1307 N N -1.267 117.428 118.700 -0.008 0.000 2.336 1307 N HA -0.016 4.724 4.740 -0.000 0.000 0.189 1307 N C 1.590 177.140 175.510 0.066 0.000 1.113 1307 N CA 0.498 53.562 53.050 0.024 0.000 0.858 1307 N CB 0.275 38.772 38.487 0.017 0.000 0.970 1307 N HN 0.262 nan 8.380 nan 0.000 0.471 1308 T N 2.238 116.846 114.554 0.090 0.000 2.607 1308 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 1308 T C 2.000 176.795 174.700 0.158 0.000 1.049 1308 T CA 0.811 63.001 62.100 0.150 0.000 1.162 1308 T CB 0.038 69.013 68.868 0.178 0.000 0.863 1308 T HN 0.113 nan 8.240 nan 0.000 0.424 1309 I N 1.886 122.520 120.570 0.107 0.000 2.179 1309 I HA -0.148 4.022 4.170 -0.000 0.000 0.242 1309 I C 2.255 178.427 176.117 0.092 0.000 1.088 1309 I CA 1.452 62.791 61.300 0.066 0.000 1.357 1309 I CB -1.304 36.737 38.000 0.069 0.000 1.051 1309 I HN 0.224 nan 8.210 nan 0.000 0.409 1310 D N 0.995 121.441 120.400 0.077 0.000 2.133 1310 D HA -0.240 4.400 4.640 -0.000 0.000 0.195 1310 D C 2.002 178.333 176.300 0.052 0.000 0.997 1310 D CA 1.708 55.740 54.000 0.054 0.000 0.840 1310 D CB -0.182 40.639 40.800 0.035 0.000 0.947 1310 D HN 0.651 nan 8.370 nan 0.000 0.452 1311 E N -0.506 119.738 120.200 0.074 0.000 2.358 1311 E HA -0.130 4.220 4.350 -0.000 0.000 0.195 1311 E C 1.578 178.164 176.600 -0.022 0.000 1.010 1311 E CA 0.746 57.157 56.400 0.018 0.000 0.856 1311 E CB -0.254 29.443 29.700 -0.005 0.000 0.795 1311 E HN 0.314 nan 8.360 nan 0.000 0.504 1312 H N 0.120 119.165 119.070 -0.041 0.000 2.395 1312 H HA -0.003 4.553 4.556 -0.000 0.000 0.299 1312 H C 1.774 177.057 175.328 -0.075 0.000 1.070 1312 H CA 1.356 57.368 56.048 -0.060 0.000 1.356 1312 H CB 0.012 29.742 29.762 -0.053 0.000 1.401 1312 H HN 0.159 nan 8.280 nan 0.000 0.524 1313 L N 0.698 121.943 121.223 0.036 0.000 1.989 1313 L HA -0.203 4.137 4.340 -0.000 0.000 0.211 1313 L C 1.526 178.359 176.870 -0.063 0.000 1.071 1313 L CA 1.978 56.806 54.840 -0.020 0.000 0.749 1313 L CB -0.464 41.587 42.059 -0.014 0.000 0.890 1313 L HN 0.266 nan 8.230 nan 0.000 0.431 1314 D N -1.008 119.352 120.400 -0.067 0.000 2.219 1314 D HA -0.204 4.436 4.640 -0.000 0.000 0.205 1314 D C 2.161 178.384 176.300 -0.127 0.000 0.970 1314 D CA 1.436 55.384 54.000 -0.086 0.000 0.851 1314 D CB -0.015 40.741 40.800 -0.073 0.000 0.943 1314 D HN 0.481 nan 8.370 nan 0.000 0.488 1315 M N 0.513 120.017 119.600 -0.159 0.000 2.132 1315 M HA -0.161 4.319 4.480 -0.000 0.000 0.263 1315 M C 1.989 178.156 176.300 -0.220 0.000 1.065 1315 M CA 0.979 56.148 55.300 -0.218 0.000 1.122 1315 M CB 0.043 32.459 32.600 -0.308 0.000 1.365 1315 M HN -0.033 nan 8.290 nan 0.000 0.411 1316 L N 1.297 122.416 121.223 -0.173 0.000 1.989 1316 L HA -0.239 4.101 4.340 -0.000 0.000 0.211 1316 L C 2.318 179.102 176.870 -0.143 0.000 1.071 1316 L CA 2.042 56.801 54.840 -0.136 0.000 0.749 1316 L CB -1.132 40.861 42.059 -0.111 0.000 0.890 1316 L HN 0.452 nan 8.230 nan 0.000 0.431 1317 M N -1.360 118.160 119.600 -0.133 0.000 2.065 1317 M HA -0.198 4.282 4.480 -0.000 0.000 0.259 1317 M C 2.255 178.469 176.300 -0.144 0.000 1.069 1317 M CA 1.548 56.782 55.300 -0.110 0.000 1.110 1317 M CB -1.087 31.465 32.600 -0.081 0.000 1.328 1317 M HN 0.119 nan 8.290 nan 0.000 0.405 1318 V N 0.170 119.978 119.914 -0.176 0.000 2.343 1318 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 1318 V C 2.675 178.551 176.094 -0.362 0.000 1.051 1318 V CA 1.913 64.084 62.300 -0.215 0.000 1.036 1318 V CB -0.827 30.879 31.823 -0.196 0.000 0.654 1318 V HN 0.688 nan 8.190 nan 0.000 0.451 1319 C N 0.339 119.387 119.300 -0.421 0.000 2.413 1319 C HA -0.208 4.252 4.460 -0.000 0.000 0.277 1319 C C 2.483 176.987 174.990 -0.810 0.000 1.228 1319 C CA 1.214 59.867 59.018 -0.608 0.000 1.731 1319 C CB -1.273 26.056 27.740 -0.685 0.000 2.042 1319 C HN 0.684 nan 8.230 nan 0.000 0.468 1320 H N -0.084 118.761 119.070 -0.374 0.000 2.538 1320 H HA 0.152 4.708 4.556 -0.000 0.000 0.286 1320 H C 0.207 175.378 175.328 -0.261 0.000 1.035 1320 H CA 0.621 56.481 56.048 -0.313 0.000 1.169 1320 H CB -0.750 28.954 29.762 -0.097 0.000 1.417 1320 H HN 0.682 nan 8.280 nan 0.000 0.567 1321 H N -0.670 118.417 119.070 0.029 0.000 2.692 1321 H HA -0.165 4.391 4.556 -0.000 0.000 0.316 1321 H C 0.000 175.354 175.328 0.044 0.000 1.176 1321 H CA 0.361 56.422 56.048 0.020 0.000 1.142 1321 H CB -2.363 27.409 29.762 0.015 0.000 1.475 1321 H HN 0.343 nan 8.280 nan 0.000 0.423 1322 L N 0.558 121.832 121.223 0.084 0.000 2.360 1322 L HA 0.346 4.686 4.340 -0.000 0.000 0.271 1322 L C 0.970 177.875 176.870 0.057 0.000 1.057 1322 L CA -0.451 54.445 54.840 0.094 0.000 0.803 1322 L CB 1.208 43.313 42.059 0.077 0.000 1.207 1322 L HN 0.018 nan 8.230 nan 0.000 0.445 1323 D N 3.133 123.570 120.400 0.062 0.000 2.329 1323 D HA 0.204 4.844 4.640 -0.000 0.000 0.232 1323 D C -1.661 174.659 176.300 0.032 0.000 1.088 1323 D CA -1.963 52.062 54.000 0.041 0.000 0.835 1323 D CB 1.943 42.768 40.800 0.042 0.000 1.078 1323 D HN 0.220 nan 8.370 nan 0.000 0.495 1324 P HA -0.068 nan 4.420 nan 0.000 0.228 1324 P C 0.393 177.702 177.300 0.015 0.000 1.151 1324 P CA 0.585 63.691 63.100 0.010 0.000 0.770 1324 P CB 0.722 32.421 31.700 -0.002 0.000 0.786 1325 D N -0.219 120.192 120.400 0.018 0.000 2.333 1325 D HA 0.097 4.737 4.640 -0.000 0.000 0.208 1325 D C 0.987 177.301 176.300 0.023 0.000 0.984 1325 D CA 0.325 54.335 54.000 0.018 0.000 0.873 1325 D CB 0.202 41.010 40.800 0.015 0.000 0.935 1325 D HN 0.285 nan 8.370 nan 0.000 0.521 1326 I N 1.554 122.142 120.570 0.031 0.000 2.308 1326 I HA 0.101 4.271 4.170 -0.000 0.000 0.293 1326 I C 1.576 177.720 176.117 0.045 0.000 1.078 1326 I CA -0.537 60.786 61.300 0.037 0.000 1.292 1326 I CB 1.683 39.709 38.000 0.044 0.000 1.423 1326 I HN -0.163 nan 8.210 nan 0.000 0.493 1327 A N 5.380 128.223 122.820 0.039 0.000 1.903 1327 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 1327 A C 2.018 179.640 177.584 0.063 0.000 1.191 1327 A CA 1.890 53.953 52.037 0.044 0.000 0.638 1327 A CB -0.360 18.661 19.000 0.036 0.000 0.823 1327 A HN 0.752 nan 8.150 nan 0.000 0.451 1328 E N 0.029 120.268 120.200 0.065 0.000 2.204 1328 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 1328 E C 1.481 178.175 176.600 0.158 0.000 0.990 1328 E CA 1.232 57.683 56.400 0.085 0.000 0.821 1328 E CB -0.242 29.485 29.700 0.046 0.000 0.750 1328 E HN 0.624 nan 8.360 nan 0.000 0.477 1329 D N -0.755 119.735 120.400 0.151 0.000 2.149 1329 D HA -0.113 4.527 4.640 -0.000 0.000 0.201 1329 D C 2.008 178.403 176.300 0.157 0.000 0.972 1329 D CA 1.322 55.457 54.000 0.224 0.000 0.835 1329 D CB -0.064 40.821 40.800 0.143 0.000 0.966 1329 D HN 0.246 nan 8.370 nan 0.000 0.476 1330 V N -1.192 118.773 119.914 0.085 0.000 2.591 1330 V HA 0.079 4.199 4.120 -0.000 0.000 0.249 1330 V C 2.190 178.309 176.094 0.041 0.000 1.053 1330 V CA 1.329 63.648 62.300 0.033 0.000 1.068 1330 V CB -0.839 30.998 31.823 0.024 0.000 0.689 1330 V HN 0.090 nan 8.190 nan 0.000 0.462 1331 A N 0.883 123.756 122.820 0.089 0.000 1.930 1331 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 1331 A C 2.064 179.734 177.584 0.142 0.000 1.175 1331 A CA 1.880 53.977 52.037 0.100 0.000 0.627 1331 A CB -0.844 18.218 19.000 0.104 0.000 0.815 1331 A HN 0.856 nan 8.150 nan 0.000 0.443 1332 F N 0.555 120.510 119.950 0.009 0.000 2.456 1332 F HA 0.270 4.797 4.527 -0.000 0.000 0.298 1332 F C 2.071 177.867 175.800 -0.006 0.000 1.104 1332 F CA 0.661 58.661 58.000 -0.000 0.000 1.435 1332 F CB -0.335 38.660 39.000 -0.009 0.000 1.078 1332 F HN 0.195 nan 8.300 nan 0.000 0.546 1333 A N 0.749 123.355 122.820 -0.357 0.000 1.898 1333 A HA -0.075 4.245 4.320 -0.000 0.000 0.214 1333 A C 2.156 179.626 177.584 -0.190 0.000 1.183 1333 A CA 1.427 53.213 52.037 -0.418 0.000 0.622 1333 A CB -0.775 18.062 19.000 -0.271 0.000 0.824 1333 A HN 0.513 nan 8.150 nan 0.000 0.444 1334 E N 0.546 120.696 120.200 -0.084 0.000 2.110 1334 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 1334 E C 2.181 178.768 176.600 -0.023 0.000 0.988 1334 E CA 1.358 57.740 56.400 -0.031 0.000 0.804 1334 E CB -0.201 29.506 29.700 0.011 0.000 0.745 1334 E HN 0.769 nan 8.360 nan 0.000 0.458 1335 S N 0.586 116.283 115.700 -0.006 0.000 2.507 1335 S HA -0.069 4.401 4.470 -0.000 0.000 0.235 1335 S C 1.770 176.318 174.600 -0.088 0.000 0.988 1335 S CA 0.546 58.739 58.200 -0.012 0.000 0.944 1335 S CB -0.039 63.199 63.200 0.062 0.000 0.762 1335 S HN 0.143 nan 8.310 nan 0.000 0.526 1336 R N 0.145 120.587 120.500 -0.095 0.000 2.210 1336 R HA 0.378 4.718 4.340 -0.000 0.000 0.203 1336 R C -0.058 176.168 176.300 -0.123 0.000 1.010 1336 R CA 0.399 56.431 56.100 -0.114 0.000 1.008 1336 R CB 0.019 30.237 30.300 -0.138 0.000 0.923 1336 R HN 0.442 nan 8.270 nan 0.000 0.469 1337 I N 1.936 122.442 120.570 -0.107 0.000 2.306 1337 I HA 0.229 4.399 4.170 -0.000 0.000 0.288 1337 I C -0.521 175.537 176.117 -0.098 0.000 1.036 1337 I CA -0.223 61.011 61.300 -0.110 0.000 1.221 1337 I CB 1.125 39.083 38.000 -0.069 0.000 1.385 1337 I HN -0.118 nan 8.210 nan 0.000 0.472 1338 R N 4.912 125.337 120.500 -0.126 0.000 2.502 1338 R HA 0.358 4.698 4.340 -0.000 0.000 0.300 1338 R C 0.794 177.028 176.300 -0.110 0.000 0.984 1338 R CA -0.840 55.211 56.100 -0.082 0.000 0.882 1338 R CB 2.230 32.449 30.300 -0.135 0.000 1.180 1338 R HN 0.503 nan 8.270 nan 0.000 0.444 1339 R N 1.827 122.283 120.500 -0.073 0.000 2.105 1339 R HA -0.206 4.134 4.340 -0.000 0.000 0.239 1339 R C 0.558 176.726 176.300 -0.220 0.000 1.135 1339 R CA 1.924 57.930 56.100 -0.157 0.000 0.967 1339 R CB 0.269 30.558 30.300 -0.017 0.000 0.861 1339 R HN 0.583 nan 8.270 nan 0.000 0.442 1340 E N -0.454 119.698 120.200 -0.079 0.000 2.051 1340 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 1340 E C 2.020 178.562 176.600 -0.097 0.000 0.991 1340 E CA 2.255 58.624 56.400 -0.052 0.000 0.799 1340 E CB -0.232 29.505 29.700 0.061 0.000 0.748 1340 E HN 0.573 nan 8.360 nan 0.000 0.449 1341 T N -1.166 113.330 114.554 -0.096 0.000 2.985 1341 T HA 0.024 4.374 4.350 -0.000 0.000 0.266 1341 T C 2.002 176.606 174.700 -0.160 0.000 1.076 1341 T CA 0.510 62.550 62.100 -0.100 0.000 1.135 1341 T CB -0.250 68.575 68.868 -0.072 0.000 0.890 1341 T HN 0.024 nan 8.240 nan 0.000 0.480 1342 I N 1.704 122.130 120.570 -0.240 0.000 2.252 1342 I HA -0.074 4.096 4.170 -0.000 0.000 0.245 1342 I C 3.133 179.010 176.117 -0.400 0.000 1.102 1342 I CA 1.188 62.300 61.300 -0.313 0.000 1.385 1342 I CB -0.469 37.289 38.000 -0.404 0.000 1.064 1342 I HN 0.335 nan 8.210 nan 0.000 0.414 1343 A N 0.532 123.025 122.820 -0.545 0.000 1.930 1343 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 1343 A C 2.493 179.986 177.584 -0.151 0.000 1.175 1343 A CA 1.590 53.382 52.037 -0.407 0.000 0.627 1343 A CB -0.634 18.163 19.000 -0.339 0.000 0.815 1343 A HN 0.421 nan 8.150 nan 0.000 0.443 1344 A N -0.250 122.480 122.820 -0.151 0.000 1.929 1344 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 1344 A C 1.967 179.443 177.584 -0.181 0.000 1.176 1344 A CA 1.615 53.580 52.037 -0.120 0.000 0.628 1344 A CB -0.546 18.393 19.000 -0.101 0.000 0.816 1344 A HN 0.658 nan 8.150 nan 0.000 0.444 1345 E N 0.056 120.116 120.200 -0.233 0.000 2.114 1345 E HA -0.309 4.041 4.350 -0.000 0.000 0.199 1345 E C 1.222 177.691 176.600 -0.219 0.000 1.008 1345 E CA 1.758 57.935 56.400 -0.372 0.000 0.810 1345 E CB -0.188 29.381 29.700 -0.217 0.000 0.739 1345 E HN 0.550 nan 8.360 nan 0.000 0.456 1346 D N -0.184 120.186 120.400 -0.050 0.000 2.097 1346 D HA -0.139 4.501 4.640 -0.000 0.000 0.195 1346 D C 2.075 178.416 176.300 0.067 0.000 0.989 1346 D CA 1.264 55.304 54.000 0.066 0.000 0.827 1346 D CB -0.250 40.605 40.800 0.093 0.000 0.966 1346 D HN 0.134 nan 8.370 nan 0.000 0.456 1347 V N 0.999 120.916 119.914 0.005 0.000 2.343 1347 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 1347 V C 2.621 178.700 176.094 -0.025 0.000 1.051 1347 V CA 1.054 63.362 62.300 0.014 0.000 1.036 1347 V CB -0.497 31.325 31.823 -0.002 0.000 0.654 1347 V HN 0.202 nan 8.190 nan 0.000 0.451 1348 L N -0.871 120.264 121.223 -0.147 0.000 2.191 1348 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 1348 L C 2.455 179.212 176.870 -0.190 0.000 1.103 1348 L CA 1.661 56.370 54.840 -0.218 0.000 0.769 1348 L CB -0.666 41.111 42.059 -0.469 0.000 0.908 1348 L HN 0.425 nan 8.230 nan 0.000 0.438 1349 H N -1.060 117.912 119.070 -0.164 0.000 2.333 1349 H HA -0.174 4.382 4.556 -0.000 0.000 0.302 1349 H C 1.948 177.187 175.328 -0.148 0.000 1.075 1349 H CA 1.563 57.537 56.048 -0.124 0.000 1.348 1349 H CB 0.186 29.888 29.762 -0.099 0.000 1.393 1349 H HN 0.183 nan 8.280 nan 0.000 0.509 1350 D N 0.023 120.512 120.400 0.147 0.000 2.182 1350 D HA -0.120 4.520 4.640 -0.000 0.000 0.201 1350 D C 1.626 178.002 176.300 0.128 0.000 0.986 1350 D CA 0.806 54.934 54.000 0.213 0.000 0.847 1350 D CB -0.010 40.936 40.800 0.243 0.000 0.942 1350 D HN 0.325 nan 8.370 nan 0.000 0.467 1351 L N -1.452 119.816 121.223 0.075 0.000 2.509 1351 L HA 0.217 4.557 4.340 -0.000 0.000 0.222 1351 L C 1.585 178.496 176.870 0.069 0.000 1.123 1351 L CA 0.485 55.370 54.840 0.074 0.000 0.856 1351 L CB -0.015 42.071 42.059 0.046 0.000 0.985 1351 L HN 0.230 nan 8.230 nan 0.000 0.456 1352 G N -0.297 108.522 108.800 0.032 0.000 2.136 1352 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.242 1352 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.242 1352 G C 0.898 175.823 174.900 0.042 0.000 0.989 1352 G CA 0.389 45.507 45.100 0.031 0.000 0.682 1352 G HN 0.410 nan 8.290 nan 0.000 0.522 1353 A N -0.989 121.861 122.820 0.050 0.000 1.975 1353 A HA 0.618 4.938 4.320 -0.000 0.000 0.215 1353 A C 0.679 178.382 177.584 0.198 0.000 1.170 1353 A CA 0.807 52.907 52.037 0.106 0.000 0.656 1353 A CB 0.045 19.113 19.000 0.115 0.000 0.821 1353 A HN 0.581 nan 8.150 nan 0.000 0.449 1354 F N -0.154 119.652 119.950 -0.240 0.000 2.420 1354 F HA 0.431 4.958 4.527 -0.000 0.000 0.342 1354 F C 1.182 176.839 175.800 -0.238 0.000 1.113 1354 F CA -1.030 56.762 58.000 -0.346 0.000 1.059 1354 F CB 1.931 40.413 39.000 -0.864 0.000 1.128 1354 F HN -0.024 nan 8.300 nan 0.000 0.475 1355 S N 2.358 118.050 115.700 -0.014 0.000 2.502 1355 S HA 0.320 4.790 4.470 -0.000 0.000 0.215 1355 S C -0.132 174.497 174.600 0.048 0.000 1.009 1355 S CA 0.081 58.283 58.200 0.004 0.000 0.908 1355 S CB 0.292 63.464 63.200 -0.047 0.000 0.801 1355 S HN 0.251 nan 8.310 nan 0.000 0.505 1356 L N 1.266 122.558 121.223 0.116 0.000 2.376 1356 L HA 0.588 4.928 4.340 -0.000 0.000 0.258 1356 L C -0.101 176.929 176.870 0.267 0.000 1.013 1356 L CA -0.383 54.546 54.840 0.148 0.000 0.822 1356 L CB 1.878 43.991 42.059 0.091 0.000 1.388 1356 L HN 0.043 nan 8.230 nan 0.000 0.413 1357 T N -2.064 112.605 114.554 0.191 0.000 2.908 1357 T HA 0.964 5.314 4.350 -0.000 0.000 0.290 1357 T C -0.405 174.363 174.700 0.115 0.000 1.034 1357 T CA -0.489 61.697 62.100 0.143 0.000 1.010 1357 T CB 1.888 70.778 68.868 0.036 0.000 1.068 1357 T HN 0.806 nan 8.240 nan 0.000 0.481 1358 S N 0.150 115.889 115.700 0.065 0.000 2.672 1358 S HA 0.634 5.104 4.470 -0.000 0.000 0.271 1358 S C 0.836 175.403 174.600 -0.055 0.000 1.171 1358 S CA -0.107 58.105 58.200 0.020 0.000 0.817 1358 S CB 1.038 64.264 63.200 0.044 0.000 1.150 1358 S HN 1.166 nan 8.310 nan 0.000 0.478 1359 S N 0.145 115.785 115.700 -0.101 0.000 2.370 1359 S HA 0.259 4.729 4.470 -0.000 0.000 0.214 1359 S C 0.323 174.770 174.600 -0.255 0.000 1.033 1359 S CA 1.160 59.270 58.200 -0.149 0.000 0.941 1359 S CB -0.758 62.362 63.200 -0.134 0.000 0.886 1359 S HN 1.305 nan 8.310 nan 0.000 0.521 1360 D N 1.596 121.785 120.400 -0.352 0.000 2.838 1360 D HA -0.126 4.514 4.640 -0.000 0.000 0.237 1360 D C -0.445 175.705 176.300 -0.250 0.000 1.059 1360 D CA 0.720 54.397 54.000 -0.538 0.000 0.763 1360 D CB -1.831 38.554 40.800 -0.692 0.000 1.070 1360 D HN 0.661 nan 8.370 nan 0.000 0.437 1361 S N 0.825 116.443 115.700 -0.136 0.000 2.737 1361 S HA 0.024 4.494 4.470 -0.000 0.000 0.315 1361 S C 1.072 175.576 174.600 -0.159 0.000 1.236 1361 S CA 0.988 59.108 58.200 -0.133 0.000 1.093 1361 S CB 0.999 64.126 63.200 -0.122 0.000 0.832 1361 S HN 0.448 nan 8.310 nan 0.000 0.507 1362 Q N 0.176 119.870 119.800 -0.177 0.000 2.468 1362 Q HA -0.282 4.058 4.340 -0.000 0.000 0.256 1362 Q C 0.302 176.129 176.000 -0.288 0.000 0.984 1362 Q CA 1.080 56.772 55.803 -0.186 0.000 1.110 1362 Q CB -1.930 26.747 28.738 -0.100 0.000 1.527 1362 Q HN 1.216 nan 8.270 nan 0.000 0.535 1363 A N 0.177 122.753 122.820 -0.406 0.000 3.415 1363 A HA 0.571 4.891 4.320 -0.000 0.000 0.244 1363 A C 0.341 177.669 177.584 -0.427 0.000 0.988 1363 A CA 0.115 51.824 52.037 -0.547 0.000 0.991 1363 A CB 0.408 18.745 19.000 -1.104 0.000 1.240 1363 A HN 0.342 nan 8.150 nan 0.000 0.541 1364 M N -1.222 118.176 119.600 -0.337 0.000 2.614 1364 M HA -0.141 4.339 4.480 -0.000 0.000 0.210 1364 M C 0.171 176.327 176.300 -0.240 0.000 0.592 1364 M CA 0.979 56.112 55.300 -0.279 0.000 0.621 1364 M CB -1.525 30.937 32.600 -0.229 0.000 2.108 1364 M HN 1.303 nan 8.290 nan 0.000 0.817 1365 G N 0.631 109.291 108.800 -0.235 0.000 2.556 1365 G HA2 0.622 4.582 3.960 -0.000 0.000 0.294 1365 G HA3 0.622 4.582 3.960 -0.000 0.000 0.294 1365 G C -1.397 173.398 174.900 -0.174 0.000 1.516 1365 G CA -1.177 43.804 45.100 -0.198 0.000 0.824 1365 G HN 0.269 nan 8.290 nan 0.000 0.535 1366 R N 1.832 122.245 120.500 -0.145 0.000 2.275 1366 R HA 0.395 4.734 4.340 -0.000 0.000 0.326 1366 R C 1.028 177.256 176.300 -0.120 0.000 0.973 1366 R CA -0.738 55.283 56.100 -0.132 0.000 0.854 1366 R CB 2.073 32.296 30.300 -0.128 0.000 1.156 1366 R HN 0.325 nan 8.270 nan 0.000 0.487 1367 V N 2.859 122.706 119.914 -0.112 0.000 2.453 1367 V HA -0.173 3.947 4.120 -0.000 0.000 0.252 1367 V C 1.516 177.559 176.094 -0.086 0.000 1.068 1367 V CA 2.577 64.817 62.300 -0.099 0.000 1.070 1367 V CB -0.099 31.672 31.823 -0.087 0.000 0.664 1367 V HN 1.008 nan 8.190 nan 0.000 0.461 1368 G N -1.453 107.295 108.800 -0.087 0.000 3.284 1368 G HA2 0.111 4.071 3.960 -0.000 0.000 0.236 1368 G HA3 0.111 4.071 3.960 -0.000 0.000 0.236 1368 G C 0.761 175.611 174.900 -0.082 0.000 1.158 1368 G CA 0.069 45.124 45.100 -0.076 0.000 0.774 1368 G HN 0.611 nan 8.290 nan 0.000 0.545 1369 E N 0.035 120.175 120.200 -0.101 0.000 2.734 1369 E HA 0.152 4.502 4.350 -0.000 0.000 0.211 1369 E C 1.423 177.951 176.600 -0.119 0.000 0.991 1369 E CA -0.234 56.103 56.400 -0.104 0.000 1.065 1369 E CB 1.111 30.743 29.700 -0.114 0.000 1.047 1369 E HN 0.192 nan 8.360 nan 0.000 0.470 1370 V N 0.825 120.656 119.914 -0.140 0.000 2.270 1370 V HA -0.244 3.876 4.120 -0.000 0.000 0.245 1370 V C 2.163 178.077 176.094 -0.300 0.000 1.043 1370 V CA 1.534 63.728 62.300 -0.176 0.000 1.014 1370 V CB -0.246 31.484 31.823 -0.155 0.000 0.645 1370 V HN 0.351 nan 8.190 nan 0.000 0.447 1371 I N -0.282 120.045 120.570 -0.404 0.000 2.163 1371 I HA -0.257 3.913 4.170 -0.000 0.000 0.240 1371 I C 2.472 178.429 176.117 -0.266 0.000 1.081 1371 I CA 1.702 62.633 61.300 -0.614 0.000 1.353 1371 I CB -0.399 37.305 38.000 -0.493 0.000 1.054 1371 I HN 0.291 nan 8.210 nan 0.000 0.407 1372 L N 1.034 122.185 121.223 -0.121 0.000 1.990 1372 L HA -0.277 4.063 4.340 -0.000 0.000 0.213 1372 L C 2.824 179.685 176.870 -0.015 0.000 1.072 1372 L CA 1.800 56.630 54.840 -0.017 0.000 0.755 1372 L CB -0.301 41.756 42.059 -0.003 0.000 0.889 1372 L HN 0.137 nan 8.230 nan 0.000 0.432 1373 R N -1.124 119.334 120.500 -0.070 0.000 2.148 1373 R HA -0.102 4.238 4.340 -0.000 0.000 0.227 1373 R C 2.107 178.354 176.300 -0.088 0.000 1.103 1373 R CA 1.620 57.686 56.100 -0.057 0.000 0.983 1373 R CB -0.438 29.826 30.300 -0.061 0.000 0.874 1373 R HN 0.445 nan 8.270 nan 0.000 0.451 1374 T N -0.247 114.194 114.554 -0.188 0.000 2.777 1374 T HA -0.153 4.197 4.350 -0.000 0.000 0.266 1374 T C 1.187 175.706 174.700 -0.302 0.000 1.040 1374 T CA 1.231 63.175 62.100 -0.260 0.000 1.141 1374 T CB -0.177 68.473 68.868 -0.362 0.000 0.868 1374 T HN 0.444 nan 8.240 nan 0.000 0.444 1375 W N 1.519 122.824 121.300 0.008 0.000 2.467 1375 W HA 0.034 4.694 4.660 -0.000 0.000 0.275 1375 W C 2.577 179.062 176.519 -0.057 0.000 1.239 1375 W CA -0.002 57.322 57.345 -0.036 0.000 1.266 1375 W CB -0.185 29.263 29.460 -0.020 0.000 1.112 1375 W HN 0.312 nan 8.180 nan 0.000 0.576 1376 Q N -0.115 119.761 119.800 0.127 0.000 2.123 1376 Q HA -0.150 4.190 4.340 -0.000 0.000 0.199 1376 Q C 2.142 178.198 176.000 0.093 0.000 0.966 1376 Q CA 1.441 57.302 55.803 0.097 0.000 0.845 1376 Q CB -0.384 28.387 28.738 0.055 0.000 0.907 1376 Q HN 0.178 nan 8.270 nan 0.000 0.439 1377 V N 0.826 120.759 119.914 0.032 0.000 2.358 1377 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 1377 V C 2.253 178.314 176.094 -0.055 0.000 1.047 1377 V CA 1.777 64.102 62.300 0.041 0.000 1.035 1377 V CB -0.934 30.938 31.823 0.082 0.000 0.658 1377 V HN 0.386 nan 8.190 nan 0.000 0.452 1378 A N -0.161 122.452 122.820 -0.345 0.000 1.883 1378 A HA -0.331 3.989 4.320 -0.000 0.000 0.217 1378 A C 2.110 179.600 177.584 -0.157 0.000 1.186 1378 A CA 2.512 54.154 52.037 -0.658 0.000 0.624 1378 A CB -0.923 17.587 19.000 -0.817 0.000 0.822 1378 A HN 0.787 nan 8.150 nan 0.000 0.444 1379 H N -0.617 118.404 119.070 -0.081 0.000 2.290 1379 H HA -0.095 4.461 4.556 -0.000 0.000 0.298 1379 H C 2.243 177.568 175.328 -0.005 0.000 1.087 1379 H CA 2.036 58.073 56.048 -0.017 0.000 1.291 1379 H CB -0.023 29.746 29.762 0.011 0.000 1.369 1379 H HN 0.237 nan 8.280 nan 0.000 0.492 1380 R N -0.257 120.261 120.500 0.030 0.000 2.120 1380 R HA -0.094 4.246 4.340 -0.000 0.000 0.234 1380 R C 2.201 178.478 176.300 -0.038 0.000 1.123 1380 R CA 1.219 57.312 56.100 -0.012 0.000 0.975 1380 R CB -0.298 30.055 30.300 0.088 0.000 0.866 1380 R HN 0.480 nan 8.270 nan 0.000 0.446 1381 M N 0.310 119.904 119.600 -0.010 0.000 2.200 1381 M HA -0.078 4.402 4.480 -0.000 0.000 0.265 1381 M C 2.105 178.402 176.300 -0.004 0.000 1.066 1381 M CA 1.195 56.509 55.300 0.024 0.000 1.127 1381 M CB -0.638 32.019 32.600 0.095 0.000 1.379 1381 M HN 0.049 nan 8.290 nan 0.000 0.420 1382 K N 0.420 120.789 120.400 -0.051 0.000 2.025 1382 K HA -0.094 4.226 4.320 -0.000 0.000 0.207 1382 K C 1.858 178.417 176.600 -0.069 0.000 1.049 1382 K CA 1.164 57.426 56.287 -0.041 0.000 0.933 1382 K CB 0.044 32.515 32.500 -0.047 0.000 0.714 1382 K HN 0.062 nan 8.250 nan 0.000 0.438 1383 V N 1.619 121.440 119.914 -0.155 0.000 2.332 1383 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 1383 V C 2.262 178.319 176.094 -0.062 0.000 1.055 1383 V CA 1.993 64.207 62.300 -0.144 0.000 1.038 1383 V CB -0.390 31.286 31.823 -0.246 0.000 0.651 1383 V HN 0.455 nan 8.190 nan 0.000 0.450 1384 Q N -0.951 118.826 119.800 -0.039 0.000 2.204 1384 Q HA 0.054 4.394 4.340 -0.000 0.000 0.198 1384 Q C 2.096 178.102 176.000 0.009 0.000 0.946 1384 Q CA 0.716 56.516 55.803 -0.006 0.000 0.859 1384 Q CB 0.144 28.890 28.738 0.012 0.000 0.946 1384 Q HN 0.578 nan 8.270 nan 0.000 0.474 1385 R N -0.343 120.167 120.500 0.016 0.000 2.437 1385 R HA 0.267 4.607 4.340 -0.000 0.000 0.257 1385 R C 0.663 176.980 176.300 0.028 0.000 0.927 1385 R CA 0.372 56.489 56.100 0.028 0.000 1.078 1385 R CB 1.177 31.505 30.300 0.046 0.000 1.161 1385 R HN 0.191 nan 8.270 nan 0.000 0.529 1386 G N 1.655 110.466 108.800 0.020 0.000 2.598 1386 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.244 1386 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.244 1386 G C -0.218 174.708 174.900 0.042 0.000 1.302 1386 G CA -0.412 44.702 45.100 0.023 0.000 0.903 1386 G HN 0.420 nan 8.290 nan 0.000 0.575 1387 A N -0.574 122.273 122.820 0.044 0.000 2.407 1387 A HA 0.628 4.948 4.320 -0.000 0.000 0.248 1387 A C 0.913 178.542 177.584 0.075 0.000 1.082 1387 A CA 0.171 52.245 52.037 0.062 0.000 0.785 1387 A CB 0.142 19.171 19.000 0.048 0.000 1.020 1387 A HN 1.175 nan 8.150 nan 0.000 0.489 1388 L N 1.176 122.467 121.223 0.113 0.000 2.453 1388 L HA 0.264 4.604 4.340 -0.000 0.000 0.261 1388 L C 1.810 178.715 176.870 0.058 0.000 1.179 1388 L CA 0.000 54.915 54.840 0.126 0.000 0.813 1388 L CB 0.825 43.031 42.059 0.245 0.000 1.110 1388 L HN 0.897 nan 8.230 nan 0.000 0.466 1389 A N 1.148 123.984 122.820 0.027 0.000 2.019 1389 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 1389 A C 1.791 179.319 177.584 -0.094 0.000 1.164 1389 A CA 1.292 53.316 52.037 -0.023 0.000 0.644 1389 A CB -0.353 18.635 19.000 -0.020 0.000 0.805 1389 A HN 0.864 nan 8.150 nan 0.000 0.449 1390 E N -0.030 120.056 120.200 -0.190 0.000 2.481 1390 E HA 0.056 4.406 4.350 -0.000 0.000 0.195 1390 E C 0.441 176.844 176.600 -0.327 0.000 1.047 1390 E CA 0.078 56.205 56.400 -0.455 0.000 0.867 1390 E CB 0.051 29.015 29.700 -1.227 0.000 0.858 1390 E HN 0.564 nan 8.360 nan 0.000 0.513 1391 E N 1.229 121.376 120.200 -0.089 0.000 2.384 1391 E HA 0.061 4.411 4.350 -0.000 0.000 0.266 1391 E C -0.501 176.098 176.600 -0.001 0.000 1.012 1391 E CA 0.035 56.453 56.400 0.029 0.000 0.901 1391 E CB 0.512 30.265 29.700 0.089 0.000 0.967 1391 E HN 0.082 nan 8.360 nan 0.000 0.435 1392 T N 1.099 115.666 114.554 0.021 0.000 2.887 1392 T HA 0.778 5.128 4.350 -0.000 0.000 0.288 1392 T C 0.395 175.110 174.700 0.025 0.000 1.021 1392 T CA -0.378 61.729 62.100 0.011 0.000 1.000 1392 T CB 1.517 70.389 68.868 0.007 0.000 1.034 1392 T HN 0.806 nan 8.240 nan 0.000 0.467 1393 G N 1.396 110.204 108.800 0.013 0.000 2.860 1393 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.553 1393 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.553 1393 G C -0.667 174.237 174.900 0.007 0.000 1.439 1393 G CA -0.243 44.863 45.100 0.010 0.000 0.879 1393 G HN 1.081 nan 8.290 nan 0.000 0.545 1394 D N 1.568 121.963 120.400 -0.009 0.000 2.631 1394 D HA 0.430 5.070 4.640 -0.000 0.000 0.227 1394 D C 0.744 177.032 176.300 -0.021 0.000 1.146 1394 D CA 0.422 54.406 54.000 -0.026 0.000 1.009 1394 D CB -0.411 40.353 40.800 -0.059 0.000 1.057 1394 D HN 0.713 nan 8.370 nan 0.000 0.509 1395 N N -0.212 118.502 118.700 0.022 0.000 3.116 1395 N HA 0.151 4.890 4.740 -0.000 0.000 0.244 1395 N C -1.099 174.464 175.510 0.089 0.000 1.485 1395 N CA -0.725 52.362 53.050 0.063 0.000 0.884 1395 N CB 1.122 39.647 38.487 0.063 0.000 1.415 1395 N HN -0.144 nan 8.380 nan 0.000 0.524 1396 D N -0.071 120.396 120.400 0.110 0.000 2.643 1396 D HA 0.131 4.771 4.640 -0.000 0.000 0.244 1396 D C 0.192 176.547 176.300 0.092 0.000 1.257 1396 D CA -0.238 53.827 54.000 0.108 0.000 0.831 1396 D CB -0.016 40.847 40.800 0.106 0.000 1.043 1396 D HN 0.355 nan 8.370 nan 0.000 0.488 1397 N N 0.624 119.375 118.700 0.086 0.000 2.094 1397 N HA -0.179 4.561 4.740 -0.000 0.000 0.191 1397 N C 1.379 176.931 175.510 0.070 0.000 1.023 1397 N CA 0.785 53.872 53.050 0.062 0.000 0.857 1397 N CB -0.354 38.171 38.487 0.064 0.000 1.013 1397 N HN 0.285 nan 8.380 nan 0.000 0.426 1398 F N 1.486 121.442 119.950 0.009 0.000 2.146 1398 F HA -0.017 4.510 4.527 -0.000 0.000 0.298 1398 F C 2.526 178.343 175.800 0.028 0.000 1.096 1398 F CA 1.008 58.993 58.000 -0.025 0.000 1.275 1398 F CB -0.034 38.948 39.000 -0.030 0.000 1.008 1398 F HN -0.091 nan 8.300 nan 0.000 0.480 1399 R N 0.034 120.573 120.500 0.064 0.000 2.096 1399 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 1399 R C 1.995 178.387 176.300 0.155 0.000 1.127 1399 R CA 1.825 57.993 56.100 0.113 0.000 0.968 1399 R CB -0.598 29.811 30.300 0.181 0.000 0.861 1399 R HN 0.291 nan 8.270 nan 0.000 0.440 1400 V N 1.366 121.358 119.914 0.131 0.000 2.295 1400 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 1400 V C 2.175 178.397 176.094 0.214 0.000 1.049 1400 V CA 2.069 64.533 62.300 0.272 0.000 1.024 1400 V CB -0.394 31.477 31.823 0.080 0.000 0.648 1400 V HN 0.386 nan 8.190 nan 0.000 0.447 1401 K N -0.185 120.188 120.400 -0.046 0.000 2.097 1401 K HA -0.193 4.127 4.320 -0.000 0.000 0.205 1401 K C 2.352 178.887 176.600 -0.108 0.000 1.050 1401 K CA 1.548 57.774 56.287 -0.100 0.000 0.938 1401 K CB -0.254 32.080 32.500 -0.277 0.000 0.718 1401 K HN 0.375 nan 8.250 nan 0.000 0.442 1402 R N 0.161 120.444 120.500 -0.362 0.000 2.081 1402 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 1402 R C 1.714 177.938 176.300 -0.127 0.000 1.131 1402 R CA 1.543 57.483 56.100 -0.267 0.000 0.960 1402 R CB -0.250 29.806 30.300 -0.406 0.000 0.856 1402 R HN 0.178 nan 8.270 nan 0.000 0.436 1403 Y N 0.227 120.446 120.300 -0.135 0.000 2.337 1403 Y HA -0.026 4.524 4.550 -0.000 0.000 0.293 1403 Y C 2.102 177.793 175.900 -0.348 0.000 1.123 1403 Y CA 1.053 59.003 58.100 -0.249 0.000 1.201 1403 Y CB -0.040 38.168 38.460 -0.420 0.000 1.011 1403 Y HN 0.097 nan 8.280 nan 0.000 0.545 1404 I N -0.563 119.981 120.570 -0.044 0.000 2.546 1404 I HA -0.224 3.946 4.170 -0.000 0.000 0.255 1404 I C 2.283 178.187 176.117 -0.355 0.000 1.163 1404 I CA 1.033 62.212 61.300 -0.203 0.000 1.457 1404 I CB -0.100 38.004 38.000 0.174 0.000 1.092 1404 I HN 0.177 nan 8.210 nan 0.000 0.434 1405 A N 0.648 123.394 122.820 -0.123 0.000 2.019 1405 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 1405 A C 2.180 179.684 177.584 -0.134 0.000 1.164 1405 A CA 1.456 53.438 52.037 -0.091 0.000 0.644 1405 A CB -0.433 18.559 19.000 -0.013 0.000 0.805 1405 A HN 0.418 nan 8.150 nan 0.000 0.449 1406 K N -1.332 118.982 120.400 -0.143 0.000 2.209 1406 K HA -0.147 4.173 4.320 -0.000 0.000 0.204 1406 K C 1.066 177.691 176.600 0.041 0.000 1.048 1406 K CA 1.703 57.964 56.287 -0.044 0.000 0.940 1406 K CB -0.249 32.236 32.500 -0.024 0.000 0.729 1406 K HN 0.916 nan 8.250 nan 0.000 0.451 1407 Y N -1.587 118.713 120.300 0.000 0.000 2.641 1407 Y HA 0.292 4.842 4.550 -0.000 0.000 0.248 1407 Y C 1.070 177.012 175.900 0.069 0.000 1.170 1407 Y CA -0.236 57.880 58.100 0.026 0.000 1.201 1407 Y CB -0.259 38.204 38.460 0.004 0.000 1.232 1407 Y HN -0.056 nan 8.280 nan 0.000 0.537 1408 T N -2.873 111.629 114.554 -0.087 0.000 3.409 1408 T HA 0.128 4.478 4.350 -0.000 0.000 0.188 1408 T C 1.298 176.017 174.700 0.032 0.000 0.929 1408 T CA 0.649 62.753 62.100 0.006 0.000 1.184 1408 T CB -0.751 68.097 68.868 -0.032 0.000 1.570 1408 T HN 0.092 nan 8.240 nan 0.000 0.367 1409 I N 3.068 123.640 120.570 0.005 0.000 2.252 1409 I HA 0.010 4.180 4.170 -0.000 0.000 0.245 1409 I C 1.919 178.004 176.117 -0.053 0.000 1.102 1409 I CA 1.314 62.601 61.300 -0.021 0.000 1.385 1409 I CB -0.803 37.124 38.000 -0.121 0.000 1.064 1409 I HN 0.253 nan 8.210 nan 0.000 0.414 1410 N N 0.767 119.424 118.700 -0.071 0.000 2.120 1410 N HA -0.110 4.630 4.740 -0.000 0.000 0.188 1410 N C -0.796 174.687 175.510 -0.044 0.000 1.024 1410 N CA 1.690 54.697 53.050 -0.071 0.000 0.852 1410 N CB -1.839 36.603 38.487 -0.074 0.000 1.003 1410 N HN 0.329 nan 8.380 nan 0.000 0.424 1411 P HA 0.013 nan 4.420 nan 0.000 0.217 1411 P C 1.045 178.380 177.300 0.059 0.000 1.151 1411 P CA 1.286 64.415 63.100 0.048 0.000 0.828 1411 P CB 0.000 31.752 31.700 0.087 0.000 0.788 1412 A N -0.710 122.128 122.820 0.030 0.000 1.930 1412 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 1412 A C 2.157 179.745 177.584 0.007 0.000 1.175 1412 A CA 1.307 53.353 52.037 0.015 0.000 0.627 1412 A CB -1.588 17.426 19.000 0.023 0.000 0.815 1412 A HN 0.105 nan 8.150 nan 0.000 0.443 1413 L N -0.866 120.347 121.223 -0.016 0.000 2.056 1413 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 1413 L C 2.754 179.585 176.870 -0.065 0.000 1.078 1413 L CA 1.695 56.513 54.840 -0.036 0.000 0.749 1413 L CB -0.831 41.191 42.059 -0.062 0.000 0.901 1413 L HN 0.323 nan 8.230 nan 0.000 0.433 1414 T N -2.055 112.443 114.554 -0.095 0.000 2.759 1414 T HA -0.186 4.164 4.350 -0.000 0.000 0.269 1414 T C 1.437 175.966 174.700 -0.285 0.000 1.042 1414 T CA 1.162 63.140 62.100 -0.204 0.000 1.140 1414 T CB -0.228 68.467 68.868 -0.287 0.000 0.864 1414 T HN 0.368 nan 8.240 nan 0.000 0.455 1415 H N -0.391 118.639 119.070 -0.067 0.000 2.520 1415 H HA 0.349 4.905 4.556 -0.000 0.000 0.284 1415 H C 1.615 176.900 175.328 -0.072 0.000 1.037 1415 H CA 0.323 56.337 56.048 -0.056 0.000 1.168 1415 H CB 0.218 29.951 29.762 -0.049 0.000 1.497 1415 H HN 0.489 nan 8.280 nan 0.000 0.547 1416 G N 2.390 111.194 108.800 0.007 0.000 2.221 1416 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.265 1416 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.265 1416 G C 0.810 175.775 174.900 0.108 0.000 1.041 1416 G CA 0.700 45.822 45.100 0.038 0.000 0.807 1416 G HN 0.631 nan 8.290 nan 0.000 0.502 1417 I N -4.114 116.466 120.570 0.016 0.000 4.102 1417 I HA 0.679 4.849 4.170 -0.000 0.000 0.325 1417 I C 1.707 177.790 176.117 -0.057 0.000 1.471 1417 I CA 0.312 61.541 61.300 -0.119 0.000 1.133 1417 I CB 0.390 38.029 38.000 -0.600 0.000 1.184 1417 I HN 0.123 nan 8.210 nan 0.000 0.451 1418 A N 1.872 124.742 122.820 0.084 0.000 2.216 1418 A HA -0.141 4.179 4.320 -0.000 0.000 0.214 1418 A C 2.122 179.777 177.584 0.119 0.000 1.160 1418 A CA 1.399 53.484 52.037 0.079 0.000 0.725 1418 A CB -1.066 17.974 19.000 0.068 0.000 0.784 1418 A HN 0.772 nan 8.150 nan 0.000 0.472 1419 H N -1.689 117.418 119.070 0.061 0.000 2.535 1419 H HA 0.133 4.689 4.556 -0.000 0.000 0.273 1419 H C 0.918 176.305 175.328 0.099 0.000 0.983 1419 H CA 1.123 57.213 56.048 0.070 0.000 1.238 1419 H CB 0.037 29.835 29.762 0.061 0.000 1.412 1419 H HN 0.482 nan 8.280 nan 0.000 0.562 1420 E N 1.150 121.184 120.200 -0.278 0.000 2.256 1420 E HA 0.147 4.497 4.350 -0.000 0.000 0.198 1420 E C 1.204 177.823 176.600 0.030 0.000 0.908 1420 E CA 0.799 57.129 56.400 -0.117 0.000 0.915 1420 E CB 1.163 30.803 29.700 -0.100 0.000 0.890 1420 E HN 0.385 nan 8.360 nan 0.000 0.484 1421 V N -4.769 115.179 119.914 0.056 0.000 3.105 1421 V HA 0.859 4.979 4.120 -0.000 0.000 0.311 1421 V C 0.790 176.946 176.094 0.104 0.000 1.287 1421 V CA -0.191 62.173 62.300 0.107 0.000 1.066 1421 V CB 1.266 33.182 31.823 0.156 0.000 1.105 1421 V HN 0.290 nan 8.190 nan 0.000 0.462 1422 G N -0.003 108.875 108.800 0.129 0.000 2.278 1422 G HA2 0.087 4.047 3.960 -0.000 0.000 0.210 1422 G HA3 0.087 4.047 3.960 -0.000 0.000 0.210 1422 G C 0.257 175.264 174.900 0.178 0.000 1.000 1422 G CA 0.661 45.839 45.100 0.130 0.000 0.635 1422 G HN 2.405 nan 8.290 nan 0.000 0.495 1423 S N -1.018 114.809 115.700 0.211 0.000 2.615 1423 S HA 0.682 5.152 4.470 -0.000 0.000 0.269 1423 S C -0.669 174.093 174.600 0.270 0.000 1.161 1423 S CA -0.730 57.644 58.200 0.289 0.000 0.817 1423 S CB 1.353 64.809 63.200 0.427 0.000 1.131 1423 S HN 0.721 nan 8.310 nan 0.000 0.467 1424 I N 1.616 122.390 120.570 0.340 0.000 2.224 1424 I HA 0.346 4.516 4.170 -0.000 0.000 0.293 1424 I C -0.031 176.271 176.117 0.308 0.000 1.155 1424 I CA 0.190 61.682 61.300 0.319 0.000 1.297 1424 I CB -0.366 37.848 38.000 0.356 0.000 1.487 1424 I HN 0.575 nan 8.210 nan 0.000 0.564 1425 E N 3.281 123.581 120.200 0.167 0.000 2.343 1425 E HA 0.417 4.767 4.350 -0.000 0.000 0.270 1425 E C -0.806 175.805 176.600 0.019 0.000 0.895 1425 E CA -1.030 55.388 56.400 0.030 0.000 0.767 1425 E CB 3.114 32.825 29.700 0.018 0.000 1.248 1425 E HN 0.045 nan 8.360 nan 0.000 0.440 1426 V N 1.865 121.751 119.914 -0.047 0.000 2.617 1426 V HA 0.126 4.246 4.120 -0.000 0.000 0.304 1426 V C 1.390 177.476 176.094 -0.014 0.000 1.040 1426 V CA 2.008 64.279 62.300 -0.049 0.000 1.149 1426 V CB 0.305 32.054 31.823 -0.123 0.000 0.914 1426 V HN 1.103 nan 8.190 nan 0.000 0.487 1427 G N 3.837 112.644 108.800 0.012 0.000 2.241 1427 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.244 1427 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.244 1427 G C 0.317 175.251 174.900 0.056 0.000 0.998 1427 G CA 0.187 45.307 45.100 0.034 0.000 0.621 1427 G HN 0.604 nan 8.290 nan 0.000 0.519 1428 K N 0.111 120.550 120.400 0.065 0.000 2.126 1428 K HA 0.554 4.874 4.320 -0.000 0.000 0.257 1428 K C 0.349 176.996 176.600 0.078 0.000 1.007 1428 K CA -0.875 55.457 56.287 0.075 0.000 0.928 1428 K CB 1.394 33.949 32.500 0.093 0.000 1.013 1428 K HN 0.166 nan 8.250 nan 0.000 0.473 1429 L N 1.806 123.072 121.223 0.071 0.000 2.525 1429 L HA -0.023 4.317 4.340 -0.000 0.000 0.278 1429 L C -0.060 176.862 176.870 0.086 0.000 1.218 1429 L CA 0.734 55.614 54.840 0.067 0.000 0.878 1429 L CB 0.422 42.514 42.059 0.054 0.000 1.127 1429 L HN 0.743 nan 8.230 nan 0.000 0.492 1430 A N 3.948 126.819 122.820 0.084 0.000 3.026 1430 A HA 0.185 4.505 4.320 -0.000 0.000 0.272 1430 A C -0.403 177.234 177.584 0.088 0.000 1.782 1430 A CA -0.386 51.706 52.037 0.092 0.000 1.451 1430 A CB -1.146 17.907 19.000 0.089 0.000 1.081 1430 A HN 0.690 nan 8.150 nan 0.000 0.611 1431 D N 1.590 122.049 120.400 0.100 0.000 2.443 1431 D HA 0.538 5.178 4.640 -0.000 0.000 0.221 1431 D C -0.348 176.018 176.300 0.110 0.000 1.097 1431 D CA 0.432 54.491 54.000 0.099 0.000 0.865 1431 D CB 0.917 41.784 40.800 0.112 0.000 1.034 1431 D HN 0.409 nan 8.370 nan 0.000 0.511 1432 L N 1.111 122.387 121.223 0.088 0.000 2.371 1432 L HA 0.646 4.986 4.340 -0.000 0.000 0.262 1432 L C -0.563 176.327 176.870 0.034 0.000 1.006 1432 L CA -1.224 53.671 54.840 0.093 0.000 0.818 1432 L CB 2.413 44.529 42.059 0.095 0.000 1.354 1432 L HN -0.100 nan 8.230 nan 0.000 0.415 1433 V N 2.181 122.111 119.914 0.027 0.000 2.531 1433 V HA 0.440 4.560 4.120 -0.000 0.000 0.301 1433 V C -0.238 175.708 176.094 -0.246 0.000 1.034 1433 V CA -0.703 61.483 62.300 -0.189 0.000 0.865 1433 V CB 2.175 33.837 31.823 -0.269 0.000 0.995 1433 V HN 0.420 nan 8.190 nan 0.000 0.424 1434 V N 3.924 123.646 119.914 -0.320 0.000 2.427 1434 V HA 0.520 4.640 4.120 -0.000 0.000 0.286 1434 V C -0.865 175.083 176.094 -0.242 0.000 1.034 1434 V CA -0.466 61.748 62.300 -0.143 0.000 0.893 1434 V CB 1.308 33.103 31.823 -0.046 0.000 0.982 1434 V HN 0.919 nan 8.190 nan 0.000 0.452 1435 W N 1.902 123.279 121.300 0.128 0.000 2.915 1435 W HA 0.625 5.285 4.660 -0.000 0.000 0.337 1435 W C 0.201 176.814 176.519 0.157 0.000 1.102 1435 W CA -0.626 56.808 57.345 0.149 0.000 1.224 1435 W CB 1.799 31.393 29.460 0.224 0.000 1.416 1435 W HN 0.470 nan 8.180 nan 0.000 0.503 1436 S N 2.425 118.378 115.700 0.423 0.000 2.537 1436 S HA 0.302 4.772 4.470 -0.000 0.000 0.275 1436 S C -1.526 173.277 174.600 0.339 0.000 1.272 1436 S CA -1.210 57.184 58.200 0.323 0.000 1.050 1436 S CB 1.127 64.530 63.200 0.339 0.000 0.961 1436 S HN 0.230 nan 8.310 nan 0.000 0.496 1437 P HA -0.083 nan 4.420 nan 0.000 0.216 1437 P C 1.157 178.477 177.300 0.033 0.000 1.150 1437 P CA 1.550 64.692 63.100 0.071 0.000 0.843 1437 P CB 0.026 31.718 31.700 -0.014 0.000 0.787 1438 A N -2.164 120.688 122.820 0.054 0.000 2.067 1438 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 1438 A C 1.306 178.713 177.584 -0.296 0.000 1.158 1438 A CA 1.187 53.147 52.037 -0.128 0.000 0.661 1438 A CB -1.302 17.594 19.000 -0.174 0.000 0.801 1438 A HN 0.187 nan 8.150 nan 0.000 0.452 1439 F N -2.290 117.732 119.950 0.120 0.000 2.698 1439 F HA 0.323 4.850 4.527 -0.000 0.000 0.304 1439 F C 0.291 176.082 175.800 -0.015 0.000 1.108 1439 F CA -1.132 56.889 58.000 0.036 0.000 1.263 1439 F CB 0.067 39.145 39.000 0.129 0.000 1.013 1439 F HN 0.158 nan 8.300 nan 0.000 0.532 1440 F N 1.512 121.406 119.950 -0.094 0.000 2.623 1440 F HA 0.332 4.858 4.527 -0.000 0.000 0.383 1440 F C 1.378 176.762 175.800 -0.693 0.000 1.077 1440 F CA 1.058 58.789 58.000 -0.448 0.000 1.268 1440 F CB 0.464 39.134 39.000 -0.551 0.000 1.053 1440 F HN 0.324 nan 8.300 nan 0.000 0.571 1441 G N 3.369 110.854 108.800 -2.193 0.000 2.220 1441 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.269 1441 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.269 1441 G C 0.566 175.193 174.900 -0.456 0.000 0.977 1441 G CA 0.531 44.797 45.100 -1.390 0.000 0.634 1441 G HN 0.764 nan 8.290 nan 0.000 0.539 1442 V N -0.737 119.039 119.914 -0.230 0.000 2.721 1442 V HA 0.379 4.499 4.120 -0.000 0.000 0.236 1442 V C 1.000 177.204 176.094 0.183 0.000 1.116 1442 V CA 1.827 64.096 62.300 -0.051 0.000 1.148 1442 V CB 0.401 31.951 31.823 -0.454 0.000 0.886 1442 V HN 0.275 nan 8.190 nan 0.000 0.490 1443 K N 1.855 122.440 120.400 0.309 0.000 2.668 1443 K HA 0.376 4.696 4.320 -0.000 0.000 0.246 1443 K C -2.904 173.892 176.600 0.326 0.000 0.976 1443 K CA -1.522 54.938 56.287 0.289 0.000 0.902 1443 K CB 2.629 35.267 32.500 0.230 0.000 1.172 1443 K HN 0.184 nan 8.250 nan 0.000 0.452 1444 P HA 0.065 nan 4.420 nan 0.000 0.274 1444 P C -0.072 177.192 177.300 -0.060 0.000 1.231 1444 P CA -0.173 62.752 63.100 -0.292 0.000 0.790 1444 P CB 1.528 32.645 31.700 -0.971 0.000 0.951 1445 A N 2.211 124.959 122.820 -0.120 0.000 1.975 1445 A HA 0.153 4.473 4.320 -0.000 0.000 0.215 1445 A C 0.622 178.146 177.584 -0.099 0.000 1.170 1445 A CA 1.256 53.240 52.037 -0.088 0.000 0.656 1445 A CB -0.435 18.540 19.000 -0.040 0.000 0.821 1445 A HN 0.624 nan 8.150 nan 0.000 0.449 1446 T N -0.858 113.612 114.554 -0.139 0.000 3.097 1446 T HA 0.481 4.831 4.350 -0.000 0.000 0.332 1446 T C -1.342 173.275 174.700 -0.138 0.000 1.269 1446 T CA -0.428 61.611 62.100 -0.100 0.000 1.076 1446 T CB 1.891 70.719 68.868 -0.068 0.000 1.209 1446 T HN 0.028 nan 8.240 nan 0.000 0.474 1447 V N 3.910 123.776 119.914 -0.080 0.000 2.376 1447 V HA 0.507 4.627 4.120 -0.000 0.000 0.287 1447 V C -0.324 175.756 176.094 -0.023 0.000 1.015 1447 V CA -0.740 61.514 62.300 -0.077 0.000 0.834 1447 V CB 1.112 32.893 31.823 -0.070 0.000 1.001 1447 V HN 0.790 nan 8.190 nan 0.000 0.428 1448 I N 5.251 125.816 120.570 -0.009 0.000 2.336 1448 I HA 0.463 4.633 4.170 -0.000 0.000 0.292 1448 I C 0.081 176.221 176.117 0.038 0.000 0.991 1448 I CA -0.514 60.798 61.300 0.020 0.000 1.227 1448 I CB 1.247 39.263 38.000 0.027 0.000 1.366 1448 I HN 0.319 nan 8.210 nan 0.000 0.466 1449 K N 4.576 125.002 120.400 0.043 0.000 2.339 1449 K HA 0.331 4.651 4.320 -0.000 0.000 0.264 1449 K C 0.471 177.106 176.600 0.058 0.000 0.986 1449 K CA -0.376 55.942 56.287 0.052 0.000 0.866 1449 K CB 1.559 34.088 32.500 0.048 0.000 1.103 1449 K HN 0.875 nan 8.250 nan 0.000 0.441 1450 G N 2.031 110.867 108.800 0.060 0.000 2.341 1450 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.292 1450 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.292 1450 G C 0.801 175.747 174.900 0.075 0.000 1.021 1450 G CA 1.263 46.400 45.100 0.062 0.000 0.905 1450 G HN 1.061 nan 8.290 nan 0.000 0.508 1451 G N -2.051 106.790 108.800 0.067 0.000 2.195 1451 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.246 1451 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.246 1451 G C 0.288 175.216 174.900 0.047 0.000 0.984 1451 G CA 0.790 45.926 45.100 0.059 0.000 0.633 1451 G HN 1.068 nan 8.290 nan 0.000 0.525 1452 M N 0.581 120.213 119.600 0.053 0.000 2.465 1452 M HA 0.530 5.010 4.480 -0.000 0.000 0.316 1452 M C 0.256 176.585 176.300 0.049 0.000 1.121 1452 M CA -0.860 54.470 55.300 0.049 0.000 0.934 1452 M CB 2.188 34.825 32.600 0.062 0.000 1.692 1452 M HN 0.051 nan 8.290 nan 0.000 0.444 1453 I N 1.920 122.520 120.570 0.049 0.000 2.598 1453 I HA 0.008 4.178 4.170 -0.000 0.000 0.284 1453 I C 0.960 177.103 176.117 0.043 0.000 1.140 1453 I CA 0.169 61.491 61.300 0.038 0.000 1.420 1453 I CB 0.981 39.002 38.000 0.036 0.000 1.387 1453 I HN 0.895 nan 8.210 nan 0.000 0.553 1454 A N 7.264 130.099 122.820 0.026 0.000 2.085 1454 A HA 0.415 4.735 4.320 -0.000 0.000 0.208 1454 A C 0.628 178.214 177.584 0.005 0.000 1.191 1454 A CA 0.525 52.574 52.037 0.019 0.000 0.799 1454 A CB 0.442 19.456 19.000 0.023 0.000 0.877 1454 A HN 0.661 nan 8.150 nan 0.000 0.473 1455 I N -2.306 118.272 120.570 0.012 0.000 2.908 1455 I HA 0.594 4.764 4.170 -0.000 0.000 0.300 1455 I C -1.536 174.615 176.117 0.055 0.000 1.385 1455 I CA -0.419 60.901 61.300 0.035 0.000 1.004 1455 I CB 2.164 40.201 38.000 0.062 0.000 1.309 1455 I HN 0.282 nan 8.210 nan 0.000 0.449 1456 A N 5.996 128.852 122.820 0.060 0.000 2.567 1456 A HA 0.758 5.078 4.320 -0.000 0.000 0.291 1456 A C -3.109 174.322 177.584 -0.256 0.000 1.048 1456 A CA -0.988 51.036 52.037 -0.021 0.000 0.661 1456 A CB 1.591 20.547 19.000 -0.073 0.000 1.288 1456 A HN 0.297 nan 8.150 nan 0.000 0.424 1457 P HA 0.453 nan 4.420 nan 0.000 0.271 1457 P C -0.864 176.197 177.300 -0.399 0.000 1.216 1457 P CA 0.168 62.814 63.100 -0.757 0.000 0.771 1457 P CB 0.882 32.097 31.700 -0.808 0.000 0.864 1458 M N 3.036 122.413 119.600 -0.373 0.000 2.326 1458 M HA 0.567 5.047 4.480 -0.000 0.000 0.292 1458 M C -0.238 175.895 176.300 -0.278 0.000 1.081 1458 M CA -0.452 54.681 55.300 -0.279 0.000 0.919 1458 M CB 1.755 34.205 32.600 -0.250 0.000 1.634 1458 M HN 0.444 nan 8.290 nan 0.000 0.451 1459 G N 1.378 110.069 108.800 -0.183 0.000 2.535 1459 G HA2 0.234 4.194 3.960 -0.000 0.000 0.282 1459 G HA3 0.234 4.194 3.960 -0.000 0.000 0.282 1459 G C -0.831 174.004 174.900 -0.108 0.000 1.350 1459 G CA -0.568 44.453 45.100 -0.131 0.000 1.039 1459 G HN 0.752 nan 8.290 nan 0.000 0.509 1460 D N -0.166 120.199 120.400 -0.059 0.000 2.793 1460 D HA -0.110 4.530 4.640 -0.000 0.000 0.230 1460 D C 1.766 178.041 176.300 -0.042 0.000 1.139 1460 D CA -0.230 53.749 54.000 -0.034 0.000 0.838 1460 D CB 0.270 41.059 40.800 -0.017 0.000 1.149 1460 D HN 0.052 nan 8.370 nan 0.000 0.526 1461 I N 3.680 124.226 120.570 -0.040 0.000 2.361 1461 I HA -0.225 3.945 4.170 -0.000 0.000 0.251 1461 I C 1.856 177.961 176.117 -0.020 0.000 1.133 1461 I CA 1.007 62.284 61.300 -0.037 0.000 1.413 1461 I CB -1.077 36.903 38.000 -0.035 0.000 1.073 1461 I HN 0.447 nan 8.210 nan 0.000 0.424 1462 N N 0.889 119.581 118.700 -0.013 0.000 2.336 1462 N HA 0.122 4.862 4.740 -0.000 0.000 0.189 1462 N C 0.659 176.165 175.510 -0.008 0.000 1.113 1462 N CA 0.155 53.201 53.050 -0.007 0.000 0.858 1462 N CB 0.244 38.729 38.487 -0.003 0.000 0.970 1462 N HN 0.277 nan 8.380 nan 0.000 0.471 1463 A N -0.471 122.342 122.820 -0.012 0.000 2.386 1463 A HA 0.249 4.569 4.320 -0.000 0.000 0.246 1463 A C 1.412 178.990 177.584 -0.010 0.000 1.089 1463 A CA 0.226 52.256 52.037 -0.012 0.000 0.790 1463 A CB 0.032 19.021 19.000 -0.017 0.000 1.042 1463 A HN 0.458 nan 8.150 nan 0.000 0.497 1464 S N -0.286 115.409 115.700 -0.008 0.000 2.481 1464 S HA 0.137 4.607 4.470 -0.000 0.000 0.231 1464 S C 0.557 175.153 174.600 -0.007 0.000 0.996 1464 S CA 1.003 59.199 58.200 -0.006 0.000 0.942 1464 S CB -0.969 62.228 63.200 -0.006 0.000 0.768 1464 S HN 0.827 nan 8.310 nan 0.000 0.520 1465 I N -3.247 117.316 120.570 -0.011 0.000 3.095 1465 I HA 0.454 4.624 4.170 -0.000 0.000 0.310 1465 I C -2.550 173.553 176.117 -0.023 0.000 1.196 1465 I CA -2.746 58.546 61.300 -0.013 0.000 0.985 1465 I CB 1.742 39.735 38.000 -0.013 0.000 1.250 1465 I HN -0.358 nan 8.210 nan 0.000 0.446 1466 P HA -0.021 nan 4.420 nan 0.000 0.245 1466 P C 1.056 178.318 177.300 -0.063 0.000 1.212 1466 P CA 0.922 63.994 63.100 -0.047 0.000 0.774 1466 P CB 0.063 31.737 31.700 -0.044 0.000 0.999 1467 T N -4.287 110.237 114.554 -0.050 0.000 3.054 1467 T HA 0.181 4.531 4.350 -0.000 0.000 0.259 1467 T C -1.504 173.167 174.700 -0.049 0.000 1.092 1467 T CA -0.343 61.724 62.100 -0.056 0.000 1.121 1467 T CB -1.964 66.878 68.868 -0.043 0.000 0.912 1467 T HN 0.122 nan 8.240 nan 0.000 0.489 1468 P HA 0.182 nan 4.420 nan 0.000 0.269 1468 P C 0.103 177.386 177.300 -0.029 0.000 1.215 1468 P CA -0.172 62.912 63.100 -0.028 0.000 0.780 1468 P CB 0.364 32.052 31.700 -0.020 0.000 0.898 1469 Q N 2.606 122.396 119.800 -0.016 0.000 2.454 1469 Q HA 0.201 4.541 4.340 -0.000 0.000 0.247 1469 Q C -1.898 174.110 176.000 0.013 0.000 1.028 1469 Q CA -1.202 54.600 55.803 -0.002 0.000 0.910 1469 Q CB -0.595 28.145 28.738 0.003 0.000 1.276 1469 Q HN 0.398 nan 8.270 nan 0.000 0.489 1470 P HA 0.209 nan 4.420 nan 0.000 0.285 1470 P C -0.827 176.522 177.300 0.082 0.000 1.259 1470 P CA -0.342 62.809 63.100 0.084 0.000 0.794 1470 P CB 0.908 32.690 31.700 0.136 0.000 0.940 1471 V N 5.206 125.140 119.914 0.034 0.000 2.370 1471 V HA 0.376 4.496 4.120 -0.000 0.000 0.279 1471 V C 0.175 176.265 176.094 -0.007 0.000 1.029 1471 V CA -0.131 62.126 62.300 -0.072 0.000 0.870 1471 V CB 0.229 31.975 31.823 -0.128 0.000 0.984 1471 V HN 0.876 nan 8.190 nan 0.000 0.451 1472 H N 1.992 120.978 119.070 -0.141 0.000 3.008 1472 H HA 0.622 5.178 4.556 -0.000 0.000 0.354 1472 H C -1.563 173.666 175.328 -0.165 0.000 1.252 1472 H CA -1.127 54.859 56.048 -0.104 0.000 1.117 1472 H CB 0.771 30.542 29.762 0.016 0.000 1.857 1472 H HN 0.372 nan 8.280 nan 0.000 0.547 1473 Y N 1.268 121.609 120.300 0.068 0.000 2.569 1473 Y HA 0.252 4.802 4.550 -0.000 0.000 0.332 1473 Y C 0.544 176.438 175.900 -0.010 0.000 1.120 1473 Y CA 0.305 58.402 58.100 -0.005 0.000 1.416 1473 Y CB 0.467 38.938 38.460 0.019 0.000 1.210 1473 Y HN 0.355 nan 8.280 nan 0.000 0.528 1474 R N 4.922 125.425 120.500 0.004 0.000 2.686 1474 R HA 0.401 4.741 4.340 -0.000 0.000 0.283 1474 R C -2.852 173.426 176.300 -0.036 0.000 0.978 1474 R CA -2.316 53.765 56.100 -0.031 0.000 0.897 1474 R CB 1.694 31.907 30.300 -0.144 0.000 1.192 1474 R HN 0.354 nan 8.270 nan 0.000 0.457 1475 P HA 0.024 nan 4.420 nan 0.000 0.268 1475 P C -0.570 176.644 177.300 -0.144 0.000 1.205 1475 P CA 0.138 63.202 63.100 -0.061 0.000 0.771 1475 P CB 0.746 32.414 31.700 -0.052 0.000 0.858 1476 M N 1.724 121.242 119.600 -0.138 0.000 2.799 1476 M HA 0.294 4.774 4.480 -0.000 0.000 0.274 1476 M C 1.689 177.848 176.300 -0.235 0.000 1.137 1476 M CA -0.891 54.270 55.300 -0.232 0.000 0.897 1476 M CB -0.509 32.037 32.600 -0.090 0.000 1.567 1476 M HN 0.191 nan 8.290 nan 0.000 0.536 1477 F N 0.686 120.619 119.950 -0.029 0.000 2.202 1477 F HA -0.102 4.425 4.527 -0.000 0.000 0.301 1477 F C 2.260 178.041 175.800 -0.032 0.000 1.082 1477 F CA 1.561 59.541 58.000 -0.032 0.000 1.313 1477 F CB -0.943 38.036 39.000 -0.035 0.000 1.024 1477 F HN 0.758 nan 8.300 nan 0.000 0.495 1478 G N -0.671 108.207 108.800 0.131 0.000 2.559 1478 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.216 1478 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.216 1478 G C 1.520 176.438 174.900 0.030 0.000 1.126 1478 G CA 0.623 45.767 45.100 0.074 0.000 0.778 1478 G HN 0.441 nan 8.290 nan 0.000 0.543 1479 A N -0.312 122.509 122.820 0.002 0.000 2.387 1479 A HA 0.585 4.905 4.320 -0.000 0.000 0.234 1479 A C 0.635 178.190 177.584 -0.048 0.000 1.253 1479 A CA -0.321 51.703 52.037 -0.023 0.000 0.894 1479 A CB 0.124 19.108 19.000 -0.026 0.000 0.963 1479 A HN 0.250 nan 8.150 nan 0.000 0.508 1480 L N -0.121 121.079 121.223 -0.038 0.000 2.275 1480 L HA 0.471 4.811 4.340 -0.000 0.000 0.288 1480 L C 1.644 178.456 176.870 -0.096 0.000 1.046 1480 L CA -0.138 54.672 54.840 -0.050 0.000 0.805 1480 L CB 1.043 43.102 42.059 0.001 0.000 1.193 1480 L HN 0.522 nan 8.230 nan 0.000 0.426 1481 G N 2.544 111.261 108.800 -0.138 0.000 2.674 1481 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.375 1481 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.375 1481 G C 1.152 175.800 174.900 -0.421 0.000 1.175 1481 G CA 1.038 46.005 45.100 -0.221 0.000 0.925 1481 G HN 0.624 nan 8.290 nan 0.000 0.606 1482 S N 0.748 116.334 115.700 -0.190 0.000 2.423 1482 S HA 0.093 4.563 4.470 -0.000 0.000 0.231 1482 S C 2.739 177.318 174.600 -0.035 0.000 1.014 1482 S CA 1.809 59.966 58.200 -0.071 0.000 0.965 1482 S CB -0.489 62.737 63.200 0.043 0.000 0.785 1482 S HN 1.179 nan 8.310 nan 0.000 0.495 1483 A N 1.853 124.647 122.820 -0.044 0.000 1.898 1483 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 1483 A C 2.056 179.654 177.584 0.023 0.000 1.181 1483 A CA 1.470 53.511 52.037 0.007 0.000 0.620 1483 A CB -0.523 18.490 19.000 0.023 0.000 0.819 1483 A HN 0.452 nan 8.150 nan 0.000 0.442 1484 R N -0.833 119.624 120.500 -0.072 0.000 2.083 1484 R HA -0.208 4.132 4.340 -0.000 0.000 0.237 1484 R C 2.003 178.306 176.300 0.005 0.000 1.137 1484 R CA 2.045 58.106 56.100 -0.065 0.000 0.951 1484 R CB -0.556 29.654 30.300 -0.149 0.000 0.851 1484 R HN 0.777 nan 8.270 nan 0.000 0.434 1485 H N -2.148 116.946 119.070 0.040 0.000 2.387 1485 H HA -0.186 4.370 4.556 -0.000 0.000 0.299 1485 H C 2.016 177.359 175.328 0.025 0.000 1.099 1485 H CA 1.640 57.700 56.048 0.019 0.000 1.315 1485 H CB -0.132 29.641 29.762 0.019 0.000 1.380 1485 H HN 0.449 nan 8.280 nan 0.000 0.513 1486 H N -0.646 118.482 119.070 0.096 0.000 2.462 1486 H HA -0.013 4.543 4.556 -0.000 0.000 0.292 1486 H C 1.327 176.670 175.328 0.025 0.000 1.049 1486 H CA 1.195 57.271 56.048 0.047 0.000 1.334 1486 H CB 0.163 29.944 29.762 0.031 0.000 1.404 1486 H HN 0.317 nan 8.280 nan 0.000 0.544 1487 C N 1.470 120.842 119.300 0.119 0.000 2.906 1487 C HA 0.263 4.723 4.460 -0.000 0.000 0.274 1487 C C 0.702 175.704 174.990 0.020 0.000 1.257 1487 C CA -0.312 58.749 59.018 0.072 0.000 1.695 1487 C CB -1.235 26.561 27.740 0.094 0.000 1.958 1487 C HN 0.513 nan 8.230 nan 0.000 0.619 1488 R N 0.180 120.681 120.500 0.000 0.000 2.892 1488 R HA 0.830 5.170 4.340 -0.000 0.000 0.265 1488 R C -1.505 174.735 176.300 -0.100 0.000 1.025 1488 R CA -0.649 55.436 56.100 -0.025 0.000 0.982 1488 R CB 0.947 31.253 30.300 0.010 0.000 1.185 1488 R HN 0.095 nan 8.270 nan 0.000 0.484 1489 L N 0.782 121.898 121.223 -0.178 0.000 2.362 1489 L HA 0.476 4.816 4.340 -0.000 0.000 0.271 1489 L C -0.592 176.033 176.870 -0.408 0.000 1.002 1489 L CA -0.927 53.700 54.840 -0.356 0.000 0.818 1489 L CB 2.669 44.360 42.059 -0.613 0.000 1.298 1489 L HN 0.730 nan 8.230 nan 0.000 0.420 1490 T N 2.240 116.582 114.554 -0.353 0.000 2.770 1490 T HA 0.513 4.863 4.350 -0.000 0.000 0.283 1490 T C -0.475 174.070 174.700 -0.258 0.000 0.988 1490 T CA -0.258 61.708 62.100 -0.224 0.000 0.957 1490 T CB 0.308 69.109 68.868 -0.113 0.000 0.930 1490 T HN 0.097 nan 8.240 nan 0.000 0.443 1491 F N 3.344 123.315 119.950 0.035 0.000 2.396 1491 F HA 0.538 5.065 4.527 -0.000 0.000 0.343 1491 F C 0.452 176.279 175.800 0.046 0.000 1.104 1491 F CA -0.752 57.277 58.000 0.049 0.000 1.161 1491 F CB 0.667 39.707 39.000 0.067 0.000 1.146 1491 F HN 0.176 nan 8.300 nan 0.000 0.522 1492 L N 1.728 123.091 121.223 0.234 0.000 2.309 1492 L HA 0.499 4.839 4.340 -0.000 0.000 0.261 1492 L C -0.173 176.779 176.870 0.137 0.000 1.021 1492 L CA -1.108 53.817 54.840 0.141 0.000 0.823 1492 L CB 2.391 44.497 42.059 0.079 0.000 1.366 1492 L HN 0.643 nan 8.230 nan 0.000 0.423 1493 S N -0.352 115.404 115.700 0.094 0.000 2.603 1493 S HA 0.161 4.631 4.470 -0.000 0.000 0.268 1493 S C 0.561 175.197 174.600 0.060 0.000 1.317 1493 S CA -0.521 57.723 58.200 0.074 0.000 1.012 1493 S CB 1.386 64.617 63.200 0.052 0.000 0.926 1493 S HN 0.696 nan 8.310 nan 0.000 0.539 1494 Q N 1.194 121.022 119.800 0.047 0.000 2.096 1494 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 1494 Q C 2.506 178.521 176.000 0.025 0.000 0.982 1494 Q CA 1.732 57.556 55.803 0.034 0.000 0.850 1494 Q CB -0.664 28.085 28.738 0.020 0.000 0.901 1494 Q HN 0.930 nan 8.270 nan 0.000 0.422 1495 A N 1.155 123.988 122.820 0.021 0.000 1.858 1495 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 1495 A C 2.335 179.929 177.584 0.016 0.000 1.190 1495 A CA 1.721 53.767 52.037 0.015 0.000 0.617 1495 A CB -1.024 17.983 19.000 0.012 0.000 0.827 1495 A HN 0.415 nan 8.150 nan 0.000 0.443 1496 A N -0.138 122.695 122.820 0.021 0.000 1.883 1496 A HA 0.100 4.420 4.320 -0.000 0.000 0.217 1496 A C 2.542 180.135 177.584 0.014 0.000 1.186 1496 A CA 2.406 54.453 52.037 0.017 0.000 0.624 1496 A CB -1.163 17.851 19.000 0.023 0.000 0.822 1496 A HN 1.169 nan 8.150 nan 0.000 0.444 1497 A N -0.209 122.625 122.820 0.022 0.000 1.908 1497 A HA 0.083 4.403 4.320 -0.000 0.000 0.218 1497 A C 2.513 180.104 177.584 0.011 0.000 1.181 1497 A CA 2.398 54.446 52.037 0.019 0.000 0.627 1497 A CB -1.040 17.979 19.000 0.032 0.000 0.818 1497 A HN 1.124 nan 8.150 nan 0.000 0.445 1498 A N 0.265 123.092 122.820 0.012 0.000 1.898 1498 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 1498 A C 1.679 179.265 177.584 0.003 0.000 1.181 1498 A CA 1.494 53.535 52.037 0.007 0.000 0.620 1498 A CB -0.565 18.439 19.000 0.007 0.000 0.819 1498 A HN 0.565 nan 8.150 nan 0.000 0.442 1499 N N -0.129 118.573 118.700 0.003 0.000 2.571 1499 N HA 0.057 4.797 4.740 -0.000 0.000 0.189 1499 N C 1.055 176.564 175.510 -0.003 0.000 1.154 1499 N CA 1.026 54.076 53.050 0.001 0.000 0.907 1499 N CB -0.141 38.347 38.487 0.001 0.000 0.977 1499 N HN 0.693 nan 8.380 nan 0.000 0.449 1500 G N 0.414 109.212 108.800 -0.003 0.000 2.198 1500 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.257 1500 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.257 1500 G C 0.959 175.851 174.900 -0.014 0.000 1.042 1500 G CA 0.355 45.450 45.100 -0.008 0.000 0.791 1500 G HN 0.221 nan 8.290 nan 0.000 0.502 1501 V N 0.033 119.939 119.914 -0.013 0.000 2.332 1501 V HA -0.146 3.974 4.120 -0.000 0.000 0.248 1501 V C 3.213 179.288 176.094 -0.031 0.000 1.055 1501 V CA 3.104 65.392 62.300 -0.020 0.000 1.038 1501 V CB -0.907 30.907 31.823 -0.014 0.000 0.651 1501 V HN 1.000 nan 8.190 nan 0.000 0.450 1502 A N -0.027 122.774 122.820 -0.030 0.000 1.908 1502 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 1502 A C 2.103 179.659 177.584 -0.047 0.000 1.181 1502 A CA 2.091 54.102 52.037 -0.043 0.000 0.627 1502 A CB -0.463 18.513 19.000 -0.040 0.000 0.818 1502 A HN 0.574 nan 8.150 nan 0.000 0.445 1503 E N -0.667 119.512 120.200 -0.036 0.000 2.107 1503 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 1503 E C 2.134 178.713 176.600 -0.035 0.000 0.982 1503 E CA 1.199 57.579 56.400 -0.034 0.000 0.809 1503 E CB -0.260 29.425 29.700 -0.024 0.000 0.756 1503 E HN 0.649 nan 8.360 nan 0.000 0.459 1504 R N 0.464 120.944 120.500 -0.033 0.000 2.081 1504 R HA -0.032 4.308 4.340 -0.000 0.000 0.235 1504 R C 1.762 178.035 176.300 -0.046 0.000 1.131 1504 R CA 1.089 57.169 56.100 -0.034 0.000 0.960 1504 R CB -0.153 30.130 30.300 -0.028 0.000 0.856 1504 R HN 0.201 nan 8.270 nan 0.000 0.436 1505 L N 0.526 121.714 121.223 -0.057 0.000 2.554 1505 L HA 0.058 4.398 4.340 -0.000 0.000 0.226 1505 L C 0.461 177.283 176.870 -0.080 0.000 1.137 1505 L CA 0.178 54.973 54.840 -0.076 0.000 0.863 1505 L CB -0.302 41.705 42.059 -0.088 0.000 0.985 1505 L HN 0.422 nan 8.230 nan 0.000 0.451 1506 N N 1.327 119.985 118.700 -0.070 0.000 2.756 1506 N HA -0.170 4.570 4.740 -0.000 0.000 0.248 1506 N C -0.237 175.211 175.510 -0.103 0.000 1.062 1506 N CA -0.003 53.003 53.050 -0.075 0.000 0.696 1506 N CB -0.730 37.718 38.487 -0.066 0.000 0.946 1506 N HN 0.266 nan 8.380 nan 0.000 0.548 1507 L N 0.990 122.148 121.223 -0.107 0.000 2.455 1507 L HA 0.049 4.389 4.340 -0.000 0.000 0.272 1507 L C 1.729 178.496 176.870 -0.171 0.000 1.174 1507 L CA 0.098 54.854 54.840 -0.140 0.000 0.869 1507 L CB 0.571 42.561 42.059 -0.114 0.000 1.130 1507 L HN 0.102 nan 8.230 nan 0.000 0.474 1508 R N 0.567 120.898 120.500 -0.283 0.000 2.254 1508 R HA 0.093 4.433 4.340 -0.000 0.000 0.195 1508 R C 0.582 176.721 176.300 -0.269 0.000 0.957 1508 R CA 0.086 55.976 56.100 -0.351 0.000 1.024 1508 R CB 0.098 29.994 30.300 -0.674 0.000 0.952 1508 R HN 0.548 nan 8.270 nan 0.000 0.484 1509 S N 0.370 115.934 115.700 -0.227 0.000 2.645 1509 S HA 0.537 5.007 4.470 -0.000 0.000 0.266 1509 S C 0.164 174.706 174.600 -0.097 0.000 1.258 1509 S CA -0.593 57.555 58.200 -0.087 0.000 0.990 1509 S CB 1.142 64.311 63.200 -0.052 0.000 0.967 1509 S HN 0.366 nan 8.310 nan 0.000 0.556 1510 A N 1.326 124.082 122.820 -0.105 0.000 2.462 1510 A HA 0.448 4.768 4.320 -0.000 0.000 0.243 1510 A C -0.169 177.325 177.584 -0.151 0.000 1.076 1510 A CA -0.124 51.831 52.037 -0.136 0.000 0.773 1510 A CB -0.233 18.662 19.000 -0.175 0.000 1.010 1510 A HN 0.585 nan 8.150 nan 0.000 0.493 1511 I N 0.884 121.381 120.570 -0.122 0.000 2.441 1511 I HA 0.614 4.784 4.170 -0.000 0.000 0.295 1511 I C 0.474 176.533 176.117 -0.095 0.000 0.994 1511 I CA -0.130 61.102 61.300 -0.114 0.000 1.144 1511 I CB 1.207 39.172 38.000 -0.059 0.000 1.314 1511 I HN 0.750 nan 8.210 nan 0.000 0.445 1512 A N 5.943 128.698 122.820 -0.108 0.000 2.435 1512 A HA 0.814 5.134 4.320 -0.000 0.000 0.304 1512 A C -1.099 176.621 177.584 0.227 0.000 1.064 1512 A CA -0.514 51.545 52.037 0.036 0.000 0.727 1512 A CB 1.796 20.746 19.000 -0.082 0.000 1.284 1512 A HN 0.371 nan 8.150 nan 0.000 0.415 1513 V N 1.891 121.990 119.914 0.309 0.000 2.581 1513 V HA 0.557 4.677 4.120 -0.000 0.000 0.303 1513 V C 0.376 176.682 176.094 0.354 0.000 1.041 1513 V CA -0.528 61.937 62.300 0.276 0.000 0.907 1513 V CB 1.600 33.514 31.823 0.152 0.000 0.994 1513 V HN 1.064 nan 8.190 nan 0.000 0.442 1514 V N 2.489 122.555 119.914 0.253 0.000 2.834 1514 V HA 0.797 4.917 4.120 -0.000 0.000 0.301 1514 V C -0.351 175.788 176.094 0.074 0.000 1.066 1514 V CA -0.464 61.950 62.300 0.192 0.000 1.052 1514 V CB 1.080 32.965 31.823 0.103 0.000 1.021 1514 V HN 1.076 nan 8.190 nan 0.000 0.480 1515 K N 1.773 122.182 120.400 0.016 0.000 2.610 1515 K HA 0.630 4.950 4.320 -0.000 0.000 0.278 1515 K C 0.054 176.621 176.600 -0.055 0.000 0.964 1515 K CA -0.470 55.784 56.287 -0.054 0.000 0.859 1515 K CB 1.329 33.752 32.500 -0.129 0.000 1.434 1515 K HN 2.067 nan 8.250 nan 0.000 0.410 1516 G N 0.793 109.563 108.800 -0.050 0.000 2.149 1516 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.235 1516 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.235 1516 G C 0.521 175.394 174.900 -0.045 0.000 1.018 1516 G CA 0.122 45.195 45.100 -0.045 0.000 0.728 1516 G HN 0.660 nan 8.290 nan 0.000 0.508 1517 C N -0.391 118.880 119.300 -0.048 0.000 2.485 1517 C HA 0.151 4.611 4.460 -0.000 0.000 0.277 1517 C C 2.482 177.427 174.990 -0.074 0.000 1.376 1517 C CA 1.001 59.977 59.018 -0.070 0.000 1.759 1517 C CB -0.373 27.326 27.740 -0.067 0.000 1.970 1517 C HN 0.568 nan 8.230 nan 0.000 0.509 1518 R N 1.297 121.763 120.500 -0.055 0.000 2.210 1518 R HA 0.021 4.361 4.340 -0.000 0.000 0.203 1518 R C 1.865 178.137 176.300 -0.046 0.000 1.010 1518 R CA 1.388 57.458 56.100 -0.051 0.000 1.008 1518 R CB -1.619 28.657 30.300 -0.040 0.000 0.923 1518 R HN 0.686 nan 8.270 nan 0.000 0.469 1519 T N -2.106 112.421 114.554 -0.045 0.000 3.065 1519 T HA 0.154 4.504 4.350 -0.000 0.000 0.252 1519 T C 1.018 175.692 174.700 -0.043 0.000 1.099 1519 T CA -0.227 61.849 62.100 -0.039 0.000 1.063 1519 T CB 0.038 68.885 68.868 -0.034 0.000 0.948 1519 T HN -0.065 nan 8.240 nan 0.000 0.506 1520 V N 3.076 122.957 119.914 -0.054 0.000 2.715 1520 V HA 0.412 4.532 4.120 -0.000 0.000 0.299 1520 V C -0.286 175.772 176.094 -0.060 0.000 1.054 1520 V CA -0.403 61.860 62.300 -0.061 0.000 1.077 1520 V CB 0.901 32.677 31.823 -0.078 0.000 0.972 1520 V HN 0.760 nan 8.190 nan 0.000 0.484 1521 Q N 4.038 123.806 119.800 -0.053 0.000 2.605 1521 Q HA 0.476 4.816 4.340 -0.000 0.000 0.296 1521 Q C 0.306 176.278 176.000 -0.046 0.000 1.056 1521 Q CA -0.968 54.809 55.803 -0.045 0.000 0.778 1521 Q CB 1.416 30.136 28.738 -0.030 0.000 1.497 1521 Q HN 0.404 nan 8.270 nan 0.000 0.443 1522 K N 0.734 121.113 120.400 -0.036 0.000 2.113 1522 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 1522 K C 1.754 178.337 176.600 -0.027 0.000 1.047 1522 K CA 2.362 58.629 56.287 -0.033 0.000 0.928 1522 K CB -0.831 31.658 32.500 -0.019 0.000 0.716 1522 K HN 0.665 nan 8.250 nan 0.000 0.446 1523 A N 0.550 123.357 122.820 -0.021 0.000 2.070 1523 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 1523 A C 1.377 178.946 177.584 -0.025 0.000 1.159 1523 A CA 1.828 53.855 52.037 -0.015 0.000 0.656 1523 A CB -0.377 18.616 19.000 -0.011 0.000 0.800 1523 A HN 0.394 nan 8.150 nan 0.000 0.453 1524 D N -0.479 119.898 120.400 -0.039 0.000 2.347 1524 D HA 0.023 4.663 4.640 -0.000 0.000 0.213 1524 D C 0.376 176.631 176.300 -0.075 0.000 0.985 1524 D CA 0.289 54.258 54.000 -0.053 0.000 0.879 1524 D CB -0.133 40.635 40.800 -0.054 0.000 0.919 1524 D HN 0.288 nan 8.370 nan 0.000 0.526 1525 M N 1.815 121.373 119.600 -0.070 0.000 2.307 1525 M HA 0.051 4.531 4.480 -0.000 0.000 0.346 1525 M C 0.011 176.251 176.300 -0.100 0.000 1.552 1525 M CA -0.154 55.095 55.300 -0.085 0.000 1.116 1525 M CB 0.628 33.188 32.600 -0.066 0.000 1.889 1525 M HN -0.318 nan 8.290 nan 0.000 0.460 1526 V N 6.427 126.236 119.914 -0.176 0.000 2.509 1526 V HA -0.094 4.026 4.120 -0.000 0.000 0.297 1526 V C 1.181 177.152 176.094 -0.205 0.000 1.014 1526 V CA 0.350 62.466 62.300 -0.307 0.000 1.127 1526 V CB -0.890 30.636 31.823 -0.494 0.000 0.925 1526 V HN 0.907 nan 8.190 nan 0.000 0.480 1527 H N 2.614 121.708 119.070 0.041 0.000 3.329 1527 H HA -0.165 4.391 4.556 -0.000 0.000 0.245 1527 H C 0.615 175.973 175.328 0.050 0.000 1.099 1527 H CA 1.395 57.495 56.048 0.087 0.000 1.186 1527 H CB -1.287 28.455 29.762 -0.033 0.000 1.243 1527 H HN 0.852 nan 8.280 nan 0.000 0.319 1528 N N 0.158 118.914 118.700 0.094 0.000 2.672 1528 N HA 0.128 4.868 4.740 -0.000 0.000 0.295 1528 N C 0.170 175.696 175.510 0.028 0.000 1.924 1528 N CA 0.642 53.722 53.050 0.050 0.000 0.851 1528 N CB 0.974 39.464 38.487 0.005 0.000 1.281 1528 N HN 0.295 nan 8.380 nan 0.000 0.494 1529 S N -0.676 115.052 115.700 0.046 0.000 2.602 1529 S HA 0.152 4.622 4.470 -0.000 0.000 0.240 1529 S C 0.399 175.016 174.600 0.029 0.000 0.992 1529 S CA -0.440 57.775 58.200 0.024 0.000 0.971 1529 S CB 0.229 63.442 63.200 0.022 0.000 0.855 1529 S HN 0.250 nan 8.310 nan 0.000 0.481 1530 L N 2.655 123.903 121.223 0.041 0.000 2.455 1530 L HA 0.316 4.656 4.340 -0.000 0.000 0.272 1530 L C -0.159 176.726 176.870 0.025 0.000 1.174 1530 L CA 0.893 55.755 54.840 0.037 0.000 0.869 1530 L CB 0.450 42.537 42.059 0.047 0.000 1.130 1530 L HN 0.294 nan 8.230 nan 0.000 0.474 1531 Q N 7.068 126.875 119.800 0.011 0.000 2.607 1531 Q HA 0.383 4.723 4.340 -0.000 0.000 0.247 1531 Q C -2.258 173.735 176.000 -0.012 0.000 1.033 1531 Q CA -1.725 54.074 55.803 -0.007 0.000 0.769 1531 Q CB 1.052 29.774 28.738 -0.026 0.000 1.169 1531 Q HN 0.551 nan 8.270 nan 0.000 0.508 1532 P HA 0.044 nan 4.420 nan 0.000 0.278 1532 P C -0.570 176.721 177.300 -0.016 0.000 1.238 1532 P CA -0.439 62.661 63.100 0.001 0.000 0.794 1532 P CB 0.868 32.579 31.700 0.019 0.000 0.955 1533 N N 2.796 121.486 118.700 -0.017 0.000 2.605 1533 N HA 0.128 4.868 4.740 -0.000 0.000 0.258 1533 N C -0.605 174.900 175.510 -0.008 0.000 1.156 1533 N CA -0.184 52.852 53.050 -0.024 0.000 1.008 1533 N CB -0.989 37.486 38.487 -0.020 0.000 1.354 1533 N HN 0.425 nan 8.380 nan 0.000 0.509 1534 I N 2.207 122.775 120.570 -0.002 0.000 2.460 1534 I HA 0.493 4.663 4.170 -0.000 0.000 0.298 1534 I C -0.340 175.789 176.117 0.020 0.000 0.989 1534 I CA -0.339 60.970 61.300 0.015 0.000 1.173 1534 I CB 1.265 39.286 38.000 0.036 0.000 1.338 1534 I HN 0.513 nan 8.210 nan 0.000 0.456 1535 T N 3.803 118.369 114.554 0.020 0.000 2.896 1535 T HA 0.704 5.054 4.350 -0.000 0.000 0.297 1535 T C -1.012 173.704 174.700 0.027 0.000 1.108 1535 T CA -0.720 61.392 62.100 0.021 0.000 1.004 1535 T CB 1.823 70.697 68.868 0.011 0.000 1.159 1535 T HN 0.294 nan 8.240 nan 0.000 0.499 1536 V N 1.856 121.789 119.914 0.032 0.000 2.577 1536 V HA 0.408 4.528 4.120 -0.000 0.000 0.303 1536 V C -0.484 175.641 176.094 0.051 0.000 1.042 1536 V CA -0.906 61.423 62.300 0.049 0.000 0.872 1536 V CB 1.734 33.592 31.823 0.058 0.000 0.998 1536 V HN 1.075 nan 8.190 nan 0.000 0.423 1537 D N 3.509 123.945 120.400 0.060 0.000 2.371 1537 D HA 0.228 4.868 4.640 -0.000 0.000 0.256 1537 D C 1.097 177.447 176.300 0.083 0.000 1.193 1537 D CA 0.437 54.460 54.000 0.039 0.000 0.881 1537 D CB 2.110 42.916 40.800 0.009 0.000 1.143 1537 D HN 0.668 nan 8.370 nan 0.000 0.473 1538 A N 4.178 127.026 122.820 0.047 0.000 2.024 1538 A HA -0.246 4.074 4.320 -0.000 0.000 0.220 1538 A C 1.842 179.466 177.584 0.068 0.000 1.164 1538 A CA 1.581 53.664 52.037 0.078 0.000 0.643 1538 A CB -0.078 18.918 19.000 -0.006 0.000 0.806 1538 A HN 0.676 nan 8.150 nan 0.000 0.451 1539 Q N -1.327 118.431 119.800 -0.071 0.000 2.304 1539 Q HA 0.019 4.358 4.340 -0.000 0.000 0.204 1539 Q C 2.054 177.750 176.000 -0.508 0.000 0.936 1539 Q CA 1.419 57.093 55.803 -0.215 0.000 0.878 1539 Q CB -0.341 28.317 28.738 -0.133 0.000 0.983 1539 Q HN 0.703 nan 8.270 nan 0.000 0.516 1540 T N -3.256 111.092 114.554 -0.344 0.000 3.051 1540 T HA -0.014 4.336 4.350 -0.000 0.000 0.255 1540 T C -0.089 174.441 174.700 -0.283 0.000 1.085 1540 T CA 0.215 62.109 62.100 -0.344 0.000 1.109 1540 T CB -0.047 68.736 68.868 -0.141 0.000 0.921 1540 T HN 0.266 nan 8.240 nan 0.000 0.488 1541 Y N 0.595 120.888 120.300 -0.013 0.000 4.841 1541 Y HA -0.177 4.373 4.550 -0.000 0.000 0.242 1541 Y C 0.180 176.068 175.900 -0.020 0.000 1.002 1541 Y CA -0.333 57.758 58.100 -0.015 0.000 2.011 1541 Y CB -2.934 35.517 38.460 -0.016 0.000 1.554 1541 Y HN 0.512 nan 8.280 nan 0.000 0.618 1542 E N 0.515 120.772 120.200 0.095 0.000 2.384 1542 E HA 0.364 4.714 4.350 -0.000 0.000 0.266 1542 E C 0.027 176.652 176.600 0.043 0.000 1.012 1542 E CA -0.168 56.261 56.400 0.049 0.000 0.901 1542 E CB 1.241 30.952 29.700 0.017 0.000 0.967 1542 E HN 0.029 nan 8.360 nan 0.000 0.435 1543 V N 4.462 124.391 119.914 0.025 0.000 2.439 1543 V HA 0.339 4.459 4.120 -0.000 0.000 0.282 1543 V C 0.146 176.245 176.094 0.009 0.000 1.039 1543 V CA -0.391 61.919 62.300 0.017 0.000 0.913 1543 V CB 1.073 32.896 31.823 0.001 0.000 0.983 1543 V HN 0.605 nan 8.190 nan 0.000 0.460 1544 R N 2.963 123.469 120.500 0.011 0.000 2.628 1544 R HA 0.754 5.094 4.340 -0.000 0.000 0.288 1544 R C -1.668 174.636 176.300 0.007 0.000 0.980 1544 R CA -0.705 55.400 56.100 0.007 0.000 0.891 1544 R CB 2.599 32.903 30.300 0.006 0.000 1.188 1544 R HN 0.496 nan 8.270 nan 0.000 0.450 1545 V N 3.343 123.260 119.914 0.005 0.000 2.378 1545 V HA 0.168 4.288 4.120 -0.000 0.000 0.288 1545 V C -0.340 175.756 176.094 0.003 0.000 1.016 1545 V CA -0.568 61.735 62.300 0.005 0.000 0.840 1545 V CB 1.472 33.298 31.823 0.006 0.000 0.994 1545 V HN 0.884 nan 8.190 nan 0.000 0.431 1546 D N 4.400 124.800 120.400 0.000 0.000 2.772 1546 D HA -0.207 4.433 4.640 -0.000 0.000 0.233 1546 D C 1.344 177.644 176.300 0.000 0.000 1.143 1546 D CA 1.510 55.510 54.000 -0.001 0.000 0.700 1546 D CB -1.048 39.751 40.800 -0.000 0.000 1.076 1546 D HN 1.360 nan 8.370 nan 0.000 0.430 1547 G N 0.159 108.960 108.800 0.000 0.000 2.284 1547 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.261 1547 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.261 1547 G C 0.181 175.082 174.900 0.002 0.000 0.997 1547 G CA 0.905 46.005 45.100 0.001 0.000 0.621 1547 G HN 0.737 nan 8.290 nan 0.000 0.534 1548 E N 0.873 121.074 120.200 0.003 0.000 2.313 1548 E HA 0.559 4.908 4.350 -0.000 0.000 0.276 1548 E C 0.206 176.809 176.600 0.004 0.000 1.031 1548 E CA -1.020 55.382 56.400 0.004 0.000 0.857 1548 E CB 1.465 31.169 29.700 0.005 0.000 1.040 1548 E HN 0.452 nan 8.360 nan 0.000 0.408 1549 L N 4.490 125.716 121.223 0.005 0.000 2.410 1549 L HA 0.205 4.545 4.340 -0.000 0.000 0.273 1549 L C -0.860 176.013 176.870 0.005 0.000 1.152 1549 L CA -0.146 54.697 54.840 0.005 0.000 0.855 1549 L CB 0.569 42.632 42.059 0.006 0.000 1.129 1549 L HN 0.583 nan 8.230 nan 0.000 0.463 1550 I N 5.360 125.930 120.570 0.001 0.000 2.330 1550 I HA 0.453 4.623 4.170 -0.000 0.000 0.289 1550 I C 0.273 176.385 176.117 -0.007 0.000 1.001 1550 I CA -0.060 61.237 61.300 -0.004 0.000 1.193 1550 I CB 0.598 38.589 38.000 -0.016 0.000 1.345 1550 I HN 0.712 nan 8.210 nan 0.000 0.461 1551 T N 4.110 118.666 114.554 0.005 0.000 2.711 1551 T HA 0.756 5.106 4.350 -0.000 0.000 0.302 1551 T C -1.014 173.711 174.700 0.042 0.000 1.373 1551 T CA -0.261 61.847 62.100 0.013 0.000 1.000 1551 T CB 1.645 70.527 68.868 0.023 0.000 1.483 1551 T HN 0.786 nan 8.240 nan 0.000 0.499 1552 S N 0.663 116.414 115.700 0.085 0.000 2.636 1552 S HA 0.710 5.180 4.470 -0.000 0.000 0.268 1552 S C -1.908 172.814 174.600 0.203 0.000 1.159 1552 S CA -0.986 57.288 58.200 0.124 0.000 0.815 1552 S CB 1.719 64.998 63.200 0.130 0.000 1.130 1552 S HN 0.630 nan 8.310 nan 0.000 0.471 1553 E N 1.737 122.020 120.200 0.137 0.000 2.204 1553 E HA 0.535 4.885 4.350 -0.000 0.000 0.276 1553 E C -2.618 173.933 176.600 -0.081 0.000 0.974 1553 E CA -2.212 54.224 56.400 0.060 0.000 0.815 1553 E CB 1.527 31.234 29.700 0.012 0.000 1.119 1553 E HN 0.502 nan 8.360 nan 0.000 0.393 1554 P HA 0.169 nan 4.420 nan 0.000 0.280 1554 P C -0.840 176.288 177.300 -0.287 0.000 1.244 1554 P CA -0.318 62.361 63.100 -0.701 0.000 0.784 1554 P CB 0.934 31.992 31.700 -1.071 0.000 0.913 1555 A N 3.229 125.938 122.820 -0.186 0.000 2.371 1555 A HA 0.218 4.538 4.320 -0.000 0.000 0.257 1555 A C 1.193 178.732 177.584 -0.075 0.000 1.089 1555 A CA -0.304 51.688 52.037 -0.075 0.000 0.794 1555 A CB 0.053 19.048 19.000 -0.008 0.000 1.029 1555 A HN 0.649 nan 8.150 nan 0.000 0.488 1556 D N 0.632 121.008 120.400 -0.041 0.000 2.324 1556 D HA 0.098 4.738 4.640 -0.000 0.000 0.212 1556 D C 0.182 176.475 176.300 -0.011 0.000 0.984 1556 D CA 0.591 54.572 54.000 -0.031 0.000 0.885 1556 D CB -0.080 40.705 40.800 -0.025 0.000 0.996 1556 D HN 0.211 nan 8.370 nan 0.000 0.505 1557 V N 0.676 120.592 119.914 0.004 0.000 2.925 1557 V HA 0.442 4.562 4.120 -0.000 0.000 0.311 1557 V C -0.685 175.423 176.094 0.023 0.000 1.104 1557 V CA -0.885 61.422 62.300 0.012 0.000 0.954 1557 V CB 2.804 34.635 31.823 0.012 0.000 1.022 1557 V HN 0.062 nan 8.190 nan 0.000 0.427 1558 L N 4.672 125.904 121.223 0.015 0.000 2.354 1558 L HA 0.662 5.002 4.340 -0.000 0.000 0.264 1558 L C -2.333 174.514 176.870 -0.038 0.000 1.008 1558 L CA -1.647 53.191 54.840 -0.003 0.000 0.819 1558 L CB 3.005 45.073 42.059 0.016 0.000 1.339 1558 L HN 0.470 nan 8.230 nan 0.000 0.420 1559 P HA 0.272 nan 4.420 nan 0.000 0.279 1559 P C -0.231 177.075 177.300 0.009 0.000 1.282 1559 P CA -0.439 62.589 63.100 -0.119 0.000 0.788 1559 P CB 0.817 32.308 31.700 -0.349 0.000 1.139 1560 M N -2.443 117.230 119.600 0.123 0.000 2.302 1560 M HA -0.256 4.224 4.480 -0.000 0.000 0.200 1560 M C 0.306 176.778 176.300 0.286 0.000 0.366 1560 M CA 0.839 56.209 55.300 0.117 0.000 0.440 1560 M CB -2.185 30.399 32.600 -0.028 0.000 1.475 1560 M HN 0.590 nan 8.290 nan 0.000 0.905 1561 A N -0.323 122.707 122.820 0.350 0.000 2.218 1561 A HA 0.284 4.604 4.320 -0.000 0.000 0.198 1561 A C 1.060 178.869 177.584 0.375 0.000 1.857 1561 A CA 0.213 52.460 52.037 0.350 0.000 1.620 1561 A CB 0.063 19.162 19.000 0.164 0.000 1.424 1561 A HN 0.451 nan 8.150 nan 0.000 0.562 1562 Q N -0.206 119.707 119.800 0.189 0.000 2.439 1562 Q HA -0.051 4.289 4.340 -0.000 0.000 0.211 1562 Q C 1.877 177.889 176.000 0.020 0.000 0.978 1562 Q CA 0.989 56.862 55.803 0.118 0.000 0.897 1562 Q CB -0.030 28.741 28.738 0.055 0.000 0.956 1562 Q HN 0.504 nan 8.270 nan 0.000 0.483 1563 R N -0.716 119.738 120.500 -0.075 0.000 2.240 1563 R HA -0.061 4.279 4.340 -0.000 0.000 0.203 1563 R C 0.701 176.704 176.300 -0.494 0.000 1.011 1563 R CA 0.771 56.669 56.100 -0.337 0.000 1.007 1563 R CB 0.369 30.335 30.300 -0.557 0.000 0.911 1563 R HN 0.296 nan 8.270 nan 0.000 0.468 1564 Y N -2.094 118.127 120.300 -0.132 0.000 2.535 1564 Y HA 0.227 4.777 4.550 -0.000 0.000 0.264 1564 Y C 0.019 175.648 175.900 -0.450 0.000 1.087 1564 Y CA -0.370 57.545 58.100 -0.308 0.000 1.285 1564 Y CB 0.520 38.663 38.460 -0.527 0.000 1.200 1564 Y HN -0.176 nan 8.280 nan 0.000 0.514 1565 F N 0.075 120.141 119.950 0.193 0.000 2.421 1565 F HA 0.261 4.788 4.527 -0.000 0.000 0.337 1565 F C 0.821 176.644 175.800 0.039 0.000 1.105 1565 F CA -0.804 57.275 58.000 0.133 0.000 1.049 1565 F CB 1.443 40.523 39.000 0.132 0.000 1.139 1565 F HN -0.190 nan 8.300 nan 0.000 0.479 1566 L N 2.364 123.703 121.223 0.194 0.000 2.217 1566 L HA 0.170 4.510 4.340 -0.000 0.000 0.211 1566 L C -0.484 176.178 176.870 -0.347 0.000 1.107 1566 L CA 1.743 56.533 54.840 -0.084 0.000 0.783 1566 L CB -0.367 41.654 42.059 -0.063 0.000 0.919 1566 L HN 0.447 nan 8.230 nan 0.000 0.442 1567 F N 0.000 120.039 119.950 0.149 0.000 2.286 1567 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 1567 F CA 0.000 58.050 58.000 0.083 0.000 1.383 1567 F CB 0.000 39.029 39.000 0.048 0.000 1.145 1567 F HN 0.000 nan 8.300 nan 0.000 0.574