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 3mv3_1_C DATA FIRST_RESID 900 DATA SEQUENCE ETAIWIKNSK LPAVLVAAGA FDAAVQALSK QVGVVKLEPL KKYFTNIYEG DATA SEQUENCE CRTYIPSTPC ELPAQLGYVR AYDDTVSEDQ ILPYVPGLDV VNEKXNEGYK DATA SEQUENCE NFKLNKPDIA IECFREAIYR ITLLXVDDAE DEKLAHKILE TAREYILGLS DATA SEQUENCE IELERRSLKE GNTVRXLELA AYFTKAKLSP IHRTNALQVA XSQHFKHKNF DATA SEQUENCE LQASYFAGEF LKIISSGPRA EQARKIKNKA DSXASDAIPI DFDPYAKFDI DATA SEQUENCE CAATYKPIYE DTPSVSDPLT GSKYVITEKD KIDRIAXISK IGAPASGLRI DATA SEQUENCE RV 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 900 E HA 0.000 nan 4.350 nan 0.000 0.291 900 E C 0.000 176.100 176.600 -0.833 0.000 1.382 900 E CA 0.000 56.037 56.400 -0.605 0.000 0.976 900 E CB 0.000 29.115 29.700 -0.975 0.000 0.812 901 T N 0.481 114.411 114.554 -1.041 0.000 2.731 901 T HA -0.333 4.018 4.350 0.001 0.000 0.263 901 T C 1.609 176.031 174.700 -0.464 0.000 1.033 901 T CA 2.979 64.510 62.100 -0.948 0.000 1.160 901 T CB -0.649 67.933 68.868 -0.477 0.000 0.849 901 T HN 0.445 nan 8.240 nan 0.000 0.469 902 A N 0.622 123.267 122.820 -0.292 0.000 1.858 902 A HA -0.029 4.292 4.320 0.001 0.000 0.216 902 A C 2.215 179.772 177.584 -0.043 0.000 1.190 902 A CA 1.684 53.652 52.037 -0.115 0.000 0.617 902 A CB -0.787 18.157 19.000 -0.093 0.000 0.827 902 A HN 0.616 nan 8.150 nan 0.000 0.443 903 I N -1.644 118.880 120.570 -0.076 0.000 2.300 903 I HA -0.340 3.831 4.170 0.001 0.000 0.252 903 I C 2.409 178.649 176.117 0.205 0.000 1.119 903 I CA 1.173 62.498 61.300 0.042 0.000 1.384 903 I CB -0.369 37.653 38.000 0.035 0.000 1.062 903 I HN 0.507 nan 8.210 nan 0.000 0.426 904 W N 0.973 122.254 121.300 -0.031 0.000 2.381 904 W HA -0.082 4.578 4.660 0.000 0.000 0.323 904 W C 2.524 179.047 176.519 0.006 0.000 1.194 904 W CA 0.548 57.888 57.345 -0.008 0.000 1.296 904 W CB -1.400 28.055 29.460 -0.009 0.000 1.175 904 W HN -0.004 nan 8.180 nan 0.000 0.465 905 I N 0.641 121.379 120.570 0.280 0.000 2.185 905 I HA -0.398 3.772 4.170 0.001 0.000 0.246 905 I C 2.505 178.689 176.117 0.112 0.000 1.088 905 I CA 2.046 63.445 61.300 0.165 0.000 1.347 905 I CB -0.716 37.358 38.000 0.123 0.000 1.041 905 I HN 0.044 nan 8.210 nan 0.000 0.415 906 K N 0.994 121.451 120.400 0.095 0.000 2.057 906 K HA -0.199 4.121 4.320 0.001 0.000 0.207 906 K C 1.867 178.508 176.600 0.067 0.000 1.049 906 K CA 1.522 57.848 56.287 0.065 0.000 0.931 906 K CB -0.095 32.433 32.500 0.048 0.000 0.714 906 K HN 0.343 nan 8.250 nan 0.000 0.440 907 N N -0.022 118.732 118.700 0.091 0.000 2.354 907 N HA -0.063 4.677 4.740 0.001 0.000 0.179 907 N C -0.124 175.420 175.510 0.057 0.000 1.021 907 N CA 0.545 53.639 53.050 0.073 0.000 0.887 907 N CB 0.468 39.010 38.487 0.091 0.000 0.974 907 N HN 0.057 nan 8.380 nan 0.000 0.437 908 S N -0.371 115.370 115.700 0.068 0.000 2.562 908 S HA 0.347 4.817 4.470 0.001 0.000 0.274 908 S C -0.823 173.810 174.600 0.055 0.000 1.160 908 S CA -0.576 57.651 58.200 0.045 0.000 0.933 908 S CB 1.347 64.560 63.200 0.022 0.000 1.100 908 S HN -0.136 nan 8.310 nan 0.000 0.468 909 K N 2.920 123.346 120.400 0.044 0.000 2.675 909 K HA 0.378 4.699 4.320 0.001 0.000 0.213 909 K C -0.024 176.599 176.600 0.038 0.000 1.074 909 K CA -0.161 56.156 56.287 0.050 0.000 1.172 909 K CB -0.269 32.258 32.500 0.045 0.000 0.927 909 K HN 0.619 nan 8.250 nan 0.000 0.471 910 L N -3.887 117.350 121.223 0.023 0.000 2.360 910 L HA 0.607 4.947 4.340 0.001 0.000 0.271 910 L C -1.861 175.004 176.870 -0.009 0.000 1.057 910 L CA -1.866 52.977 54.840 0.005 0.000 0.803 910 L CB 0.811 42.863 42.059 -0.011 0.000 1.207 910 L HN -0.129 nan 8.230 nan 0.000 0.445 911 P HA -0.395 nan 4.420 nan 0.000 0.214 911 P C 1.544 178.774 177.300 -0.117 0.000 1.099 911 P CA 3.023 66.086 63.100 -0.063 0.000 0.976 911 P CB -0.118 31.538 31.700 -0.074 0.000 0.774 912 A N -1.068 121.672 122.820 -0.133 0.000 1.863 912 A HA -0.296 4.025 4.320 0.001 0.000 0.218 912 A C 2.362 179.884 177.584 -0.104 0.000 1.233 912 A CA 3.274 55.216 52.037 -0.158 0.000 0.655 912 A CB -1.927 16.982 19.000 -0.151 0.000 0.839 912 A HN 0.103 nan 8.150 nan 0.000 0.454 913 V N 0.222 120.092 119.914 -0.073 0.000 2.380 913 V HA -0.304 3.817 4.120 0.001 0.000 0.251 913 V C 2.556 178.721 176.094 0.117 0.000 1.063 913 V CA 2.078 64.369 62.300 -0.015 0.000 1.055 913 V CB -0.932 30.886 31.823 -0.008 0.000 0.657 913 V HN 0.541 nan 8.190 nan 0.000 0.455 914 L N -0.467 120.811 121.223 0.090 0.000 1.976 914 L HA -0.148 4.193 4.340 0.001 0.000 0.209 914 L C 2.545 179.554 176.870 0.232 0.000 1.071 914 L CA 1.471 56.407 54.840 0.159 0.000 0.746 914 L CB -0.808 41.324 42.059 0.122 0.000 0.890 914 L HN 0.210 nan 8.230 nan 0.000 0.432 915 V N 0.458 120.427 119.914 0.092 0.000 2.250 915 V HA -0.370 3.750 4.120 0.001 0.000 0.250 915 V C 2.823 179.173 176.094 0.426 0.000 1.060 915 V CA 2.040 64.401 62.300 0.102 0.000 1.030 915 V CB -1.240 30.299 31.823 -0.474 0.000 0.643 915 V HN 0.525 nan 8.190 nan 0.000 0.445 916 A N 0.188 123.176 122.820 0.280 0.000 1.892 916 A HA -0.159 4.161 4.320 0.001 0.000 0.218 916 A C 2.298 180.306 177.584 0.707 0.000 1.188 916 A CA 2.319 54.596 52.037 0.402 0.000 0.631 916 A CB -0.893 18.172 19.000 0.108 0.000 0.822 916 A HN 0.700 nan 8.150 nan 0.000 0.447 917 A N -2.153 121.059 122.820 0.652 0.000 2.239 917 A HA 0.379 4.699 4.320 0.001 0.000 0.209 917 A C 1.859 179.682 177.584 0.399 0.000 1.171 917 A CA 1.335 53.703 52.037 0.552 0.000 0.768 917 A CB -0.994 18.271 19.000 0.442 0.000 0.790 917 A HN 2.018 nan 8.150 nan 0.000 0.478 918 G N -2.446 106.651 108.800 0.494 0.000 2.175 918 G HA2 0.066 4.027 3.960 0.001 0.000 0.244 918 G HA3 0.066 4.027 3.960 0.001 0.000 0.244 918 G C 0.420 175.390 174.900 0.117 0.000 0.982 918 G CA 0.112 45.350 45.100 0.230 0.000 0.641 918 G HN 1.625 nan 8.290 nan 0.000 0.527 919 A N 0.490 123.493 122.820 0.305 0.000 2.923 919 A HA 0.709 5.029 4.320 0.001 0.000 0.306 919 A C 1.006 178.880 177.584 0.482 0.000 1.542 919 A CA -0.148 52.052 52.037 0.272 0.000 1.225 919 A CB -0.403 18.721 19.000 0.206 0.000 1.147 919 A HN 0.308 nan 8.150 nan 0.000 0.542 920 F N 0.240 120.282 119.950 0.153 0.000 2.206 920 F HA -0.087 4.441 4.527 0.001 0.000 0.298 920 F C 2.110 178.007 175.800 0.161 0.000 1.090 920 F CA 0.954 59.092 58.000 0.230 0.000 1.323 920 F CB -0.372 38.716 39.000 0.147 0.000 1.028 920 F HN 0.566 nan 8.300 nan 0.000 0.492 921 D N 0.249 120.817 120.400 0.281 0.000 2.097 921 D HA -0.143 4.497 4.640 0.001 0.000 0.195 921 D C 2.311 178.705 176.300 0.157 0.000 0.989 921 D CA 1.339 55.439 54.000 0.166 0.000 0.827 921 D CB 0.008 40.870 40.800 0.104 0.000 0.966 921 D HN 0.176 nan 8.370 nan 0.000 0.456 922 A N 0.975 123.892 122.820 0.160 0.000 1.948 922 A HA -0.136 4.184 4.320 0.001 0.000 0.220 922 A C 2.327 179.995 177.584 0.141 0.000 1.177 922 A CA 2.487 54.604 52.037 0.133 0.000 0.636 922 A CB -0.631 18.446 19.000 0.129 0.000 0.815 922 A HN 0.337 nan 8.150 nan 0.000 0.449 923 A N -0.832 122.105 122.820 0.196 0.000 1.897 923 A HA 0.103 4.423 4.320 0.001 0.000 0.215 923 A C 2.208 179.907 177.584 0.193 0.000 1.181 923 A CA 1.476 53.622 52.037 0.181 0.000 0.620 923 A CB -0.855 18.272 19.000 0.213 0.000 0.821 923 A HN 0.369 nan 8.150 nan 0.000 0.443 924 V N 0.417 120.462 119.914 0.217 0.000 2.332 924 V HA -0.345 3.775 4.120 0.001 0.000 0.248 924 V C 2.676 178.830 176.094 0.101 0.000 1.055 924 V CA 2.290 64.679 62.300 0.149 0.000 1.038 924 V CB -1.005 30.865 31.823 0.077 0.000 0.651 924 V HN 0.619 nan 8.190 nan 0.000 0.450 925 Q N -0.076 119.779 119.800 0.092 0.000 2.014 925 Q HA -0.257 4.083 4.340 0.001 0.000 0.207 925 Q C 2.488 178.526 176.000 0.063 0.000 0.993 925 Q CA 2.001 57.845 55.803 0.068 0.000 0.850 925 Q CB -0.550 28.227 28.738 0.065 0.000 0.916 925 Q HN 0.658 nan 8.270 nan 0.000 0.417 926 A N 1.227 124.088 122.820 0.068 0.000 1.917 926 A HA -0.194 4.126 4.320 0.001 0.000 0.219 926 A C 2.074 179.688 177.584 0.051 0.000 1.182 926 A CA 1.461 53.531 52.037 0.055 0.000 0.633 926 A CB -0.811 18.220 19.000 0.052 0.000 0.819 926 A HN 0.332 nan 8.150 nan 0.000 0.448 927 L N -0.598 120.663 121.223 0.063 0.000 2.376 927 L HA -0.066 4.274 4.340 0.001 0.000 0.219 927 L C 2.520 179.421 176.870 0.052 0.000 1.133 927 L CA 0.966 55.841 54.840 0.058 0.000 0.816 927 L CB -0.398 41.709 42.059 0.080 0.000 0.933 927 L HN 0.306 nan 8.230 nan 0.000 0.449 928 S N 0.090 115.820 115.700 0.050 0.000 2.362 928 S HA -0.080 4.391 4.470 0.001 0.000 0.221 928 S C 1.930 176.552 174.600 0.036 0.000 1.032 928 S CA 0.924 59.148 58.200 0.040 0.000 0.973 928 S CB 0.020 63.242 63.200 0.036 0.000 0.849 928 S HN 0.365 nan 8.310 nan 0.000 0.465 929 K N 0.986 121.408 120.400 0.037 0.000 2.211 929 K HA -0.014 4.306 4.320 0.001 0.000 0.203 929 K C 1.975 178.595 176.600 0.033 0.000 1.050 929 K CA 0.980 57.286 56.287 0.033 0.000 0.945 929 K CB -0.043 32.477 32.500 0.032 0.000 0.732 929 K HN 0.441 nan 8.250 nan 0.000 0.451 930 Q N -0.836 118.985 119.800 0.036 0.000 2.350 930 Q HA 0.099 4.439 4.340 0.001 0.000 0.225 930 Q C 0.932 176.956 176.000 0.040 0.000 0.878 930 Q CA 0.297 56.122 55.803 0.036 0.000 0.935 930 Q CB 1.216 29.974 28.738 0.034 0.000 1.099 930 Q HN -0.013 nan 8.270 nan 0.000 0.527 931 V N -0.629 119.309 119.914 0.041 0.000 3.509 931 V HA 0.185 4.306 4.120 0.001 0.000 0.286 931 V C 0.478 176.599 176.094 0.045 0.000 1.618 931 V CA 0.380 62.707 62.300 0.044 0.000 1.088 931 V CB 1.253 33.100 31.823 0.041 0.000 0.909 931 V HN 0.390 nan 8.190 nan 0.000 0.429 932 G N 1.825 110.650 108.800 0.041 0.000 2.371 932 G HA2 -0.210 3.751 3.960 0.001 0.000 0.299 932 G HA3 -0.210 3.751 3.960 0.001 0.000 0.299 932 G C 0.104 175.028 174.900 0.039 0.000 1.014 932 G CA 0.643 45.765 45.100 0.037 0.000 1.097 932 G HN 0.493 nan 8.290 nan 0.000 0.512 933 V N -0.568 119.373 119.914 0.044 0.000 2.686 933 V HA 0.413 4.533 4.120 0.001 0.000 0.295 933 V C 1.330 177.443 176.094 0.033 0.000 1.055 933 V CA 0.412 62.740 62.300 0.047 0.000 1.050 933 V CB 1.642 33.501 31.823 0.060 0.000 0.984 933 V HN 0.296 nan 8.190 nan 0.000 0.482 934 V N 2.529 122.457 119.914 0.025 0.000 3.193 934 V HA 0.203 4.324 4.120 0.001 0.000 0.237 934 V C 0.653 176.747 176.094 -0.000 0.000 1.447 934 V CA -0.038 62.269 62.300 0.011 0.000 1.227 934 V CB 0.322 32.151 31.823 0.009 0.000 1.040 934 V HN 0.729 nan 8.190 nan 0.000 0.458 935 K N 1.442 121.844 120.400 0.003 0.000 2.263 935 K HA 0.430 4.750 4.320 0.001 0.000 0.282 935 K C 0.472 177.055 176.600 -0.029 0.000 1.089 935 K CA -0.234 56.047 56.287 -0.010 0.000 0.907 935 K CB 1.028 33.530 32.500 0.003 0.000 1.148 935 K HN 0.250 nan 8.250 nan 0.000 0.470 936 L N 3.312 124.501 121.223 -0.057 0.000 2.492 936 L HA -0.051 4.289 4.340 0.001 0.000 0.223 936 L C 1.601 178.394 176.870 -0.129 0.000 1.132 936 L CA 0.549 55.324 54.840 -0.108 0.000 0.850 936 L CB -0.100 41.869 42.059 -0.150 0.000 0.966 936 L HN 0.722 nan 8.230 nan 0.000 0.454 937 E N 1.266 121.412 120.200 -0.089 0.000 2.033 937 E HA -0.204 4.146 4.350 0.001 0.000 0.199 937 E C -0.774 175.770 176.600 -0.092 0.000 1.011 937 E CA 1.327 57.678 56.400 -0.081 0.000 0.815 937 E CB -1.049 28.623 29.700 -0.048 0.000 0.755 937 E HN 0.429 nan 8.360 nan 0.000 0.451 938 P HA -0.037 nan 4.420 nan 0.000 0.252 938 P C 0.460 177.579 177.300 -0.302 0.000 1.265 938 P CA 0.677 63.675 63.100 -0.171 0.000 0.775 938 P CB 0.185 31.792 31.700 -0.154 0.000 1.128 939 L N -0.768 120.348 121.223 -0.178 0.000 2.808 939 L HA 0.279 4.619 4.340 0.001 0.000 0.246 939 L C 2.273 179.189 176.870 0.076 0.000 1.153 939 L CA 0.410 55.228 54.840 -0.036 0.000 0.956 939 L CB -0.257 41.786 42.059 -0.027 0.000 1.270 939 L HN -0.230 nan 8.230 nan 0.000 0.528 940 K N 0.722 121.091 120.400 -0.051 0.000 1.984 940 K HA -0.228 4.093 4.320 0.001 0.000 0.209 940 K C 2.054 178.649 176.600 -0.009 0.000 1.046 940 K CA 1.911 58.147 56.287 -0.085 0.000 0.934 940 K CB -0.015 32.431 32.500 -0.089 0.000 0.717 940 K HN 0.316 nan 8.250 nan 0.000 0.438 941 K N -0.570 119.765 120.400 -0.110 0.000 2.280 941 K HA -0.183 4.137 4.320 0.001 0.000 0.202 941 K C 1.513 177.933 176.600 -0.300 0.000 1.047 941 K CA 1.493 57.644 56.287 -0.226 0.000 0.942 941 K CB -0.273 32.012 32.500 -0.358 0.000 0.739 941 K HN 0.260 nan 8.250 nan 0.000 0.457 942 Y N -0.270 120.080 120.300 0.083 0.000 2.337 942 Y HA -0.019 4.531 4.550 0.001 0.000 0.293 942 Y C 1.743 177.692 175.900 0.081 0.000 1.123 942 Y CA 0.666 58.814 58.100 0.080 0.000 1.201 942 Y CB -0.160 38.335 38.460 0.058 0.000 1.011 942 Y HN -0.054 nan 8.280 nan 0.000 0.545 943 F N 0.017 119.944 119.950 -0.037 0.000 2.128 943 F HA -0.182 4.345 4.527 0.001 0.000 0.295 943 F C 2.397 178.218 175.800 0.035 0.000 1.100 943 F CA 1.596 59.493 58.000 -0.173 0.000 1.260 943 F CB -1.216 37.434 39.000 -0.583 0.000 1.009 943 F HN -0.089 nan 8.300 nan 0.000 0.476 944 T N 0.299 115.018 114.554 0.274 0.000 2.607 944 T HA -0.237 4.113 4.350 0.001 0.000 0.267 944 T C 1.742 176.580 174.700 0.230 0.000 1.049 944 T CA 1.850 64.112 62.100 0.271 0.000 1.162 944 T CB -0.515 68.439 68.868 0.144 0.000 0.863 944 T HN 0.128 nan 8.240 nan 0.000 0.424 945 N N 0.954 119.718 118.700 0.108 0.000 2.166 945 N HA 0.030 4.770 4.740 0.001 0.000 0.186 945 N C 1.863 177.429 175.510 0.094 0.000 1.019 945 N CA 0.801 53.895 53.050 0.073 0.000 0.856 945 N CB -0.492 37.995 38.487 0.001 0.000 0.993 945 N HN 0.402 nan 8.380 nan 0.000 0.426 946 I N -0.325 120.301 120.570 0.094 0.000 2.133 946 I HA -0.306 3.864 4.170 0.001 0.000 0.238 946 I C 2.110 178.311 176.117 0.141 0.000 1.074 946 I CA 1.054 62.387 61.300 0.054 0.000 1.342 946 I CB -0.363 37.615 38.000 -0.037 0.000 1.053 946 I HN 0.069 nan 8.210 nan 0.000 0.404 947 Y N 2.116 122.512 120.300 0.159 0.000 2.053 947 Y HA -0.328 4.222 4.550 0.001 0.000 0.277 947 Y C 2.529 178.556 175.900 0.212 0.000 1.159 947 Y CA 2.010 60.264 58.100 0.258 0.000 1.125 947 Y CB -0.347 38.344 38.460 0.384 0.000 0.969 947 Y HN 0.198 nan 8.280 nan 0.000 0.492 948 E N -1.033 119.262 120.200 0.158 0.000 2.150 948 E HA -0.108 4.242 4.350 0.001 0.000 0.193 948 E C 2.264 178.874 176.600 0.017 0.000 0.985 948 E CA 0.731 57.169 56.400 0.063 0.000 0.814 948 E CB -0.478 29.330 29.700 0.179 0.000 0.752 948 E HN 0.623 nan 8.360 nan 0.000 0.466 949 G N 1.284 110.116 108.800 0.054 0.000 2.625 949 G HA2 -0.212 3.749 3.960 0.001 0.000 0.214 949 G HA3 -0.212 3.749 3.960 0.001 0.000 0.214 949 G C 1.499 176.459 174.900 0.100 0.000 1.132 949 G CA 0.947 46.092 45.100 0.074 0.000 0.782 949 G HN 0.457 nan 8.290 nan 0.000 0.538 950 C N -1.581 117.751 119.300 0.053 0.000 3.243 950 C HA 0.656 5.116 4.460 0.001 0.000 0.286 950 C C 0.650 175.654 174.990 0.022 0.000 1.373 950 C CA -1.415 57.668 59.018 0.109 0.000 1.749 950 C CB -0.708 27.126 27.740 0.156 0.000 2.313 950 C HN 0.130 nan 8.230 nan 0.000 0.644 951 R N 1.178 121.590 120.500 -0.146 0.000 2.534 951 R HA 0.702 5.043 4.340 0.001 0.000 0.301 951 R C -0.410 175.612 176.300 -0.462 0.000 0.961 951 R CA 0.259 56.119 56.100 -0.401 0.000 0.871 951 R CB 1.832 31.812 30.300 -0.532 0.000 1.170 951 R HN 0.385 nan 8.270 nan 0.000 0.446 952 T N 1.014 115.209 114.554 -0.599 0.000 2.906 952 T HA 0.579 4.930 4.350 0.001 0.000 0.295 952 T C -1.522 172.740 174.700 -0.729 0.000 1.075 952 T CA -0.649 61.154 62.100 -0.496 0.000 1.005 952 T CB 0.928 69.669 68.868 -0.212 0.000 1.136 952 T HN 0.411 nan 8.240 nan 0.000 0.498 953 Y N 2.390 122.651 120.300 -0.065 0.000 2.364 953 Y HA 0.655 5.206 4.550 0.001 0.000 0.340 953 Y C 0.281 176.156 175.900 -0.041 0.000 0.975 953 Y CA -1.355 56.709 58.100 -0.059 0.000 1.089 953 Y CB 1.329 39.760 38.460 -0.049 0.000 1.192 953 Y HN 0.515 nan 8.280 nan 0.000 0.454 954 I N 6.046 126.670 120.570 0.089 0.000 2.488 954 I HA 0.443 4.613 4.170 0.001 0.000 0.299 954 I C -2.524 173.628 176.117 0.059 0.000 0.984 954 I CA -2.877 58.451 61.300 0.047 0.000 1.250 954 I CB 1.906 39.915 38.000 0.014 0.000 1.389 954 I HN 0.462 nan 8.210 nan 0.000 0.488 955 P HA 0.213 nan 4.420 nan 0.000 0.281 955 P C -1.281 176.032 177.300 0.021 0.000 1.249 955 P CA -0.423 62.694 63.100 0.029 0.000 0.810 955 P CB 0.829 32.540 31.700 0.018 0.000 1.008 956 S N 0.642 116.352 115.700 0.017 0.000 2.466 956 S HA 0.247 4.718 4.470 0.001 0.000 0.313 956 S C 0.917 175.522 174.600 0.008 0.000 1.078 956 S CA -0.355 57.853 58.200 0.014 0.000 1.115 956 S CB -0.357 62.852 63.200 0.015 0.000 1.006 956 S HN 0.560 nan 8.310 nan 0.000 0.487 957 T N 2.882 117.440 114.554 0.007 0.000 7.103 957 T HA -0.223 4.127 4.350 0.001 0.000 0.229 957 T C -1.851 172.851 174.700 0.003 0.000 1.666 957 T CA 1.815 63.917 62.100 0.005 0.000 1.411 957 T CB -2.911 65.960 68.868 0.005 0.000 1.637 957 T HN 0.650 nan 8.240 nan 0.000 0.518 958 P HA 0.272 nan 4.420 nan 0.000 0.264 958 P C 1.034 178.333 177.300 -0.001 0.000 1.537 958 P CA -0.080 63.020 63.100 0.000 0.000 1.189 958 P CB -0.523 31.177 31.700 0.000 0.000 1.687 959 C N 3.873 123.172 119.300 -0.001 0.000 2.365 959 C HA -0.222 4.238 4.460 0.001 0.000 0.269 959 C C 1.679 176.666 174.990 -0.006 0.000 1.131 959 C CA 2.107 61.123 59.018 -0.002 0.000 1.827 959 C CB -1.406 26.333 27.740 -0.003 0.000 2.131 959 C HN 0.583 nan 8.230 nan 0.000 0.450 960 E N 0.395 120.592 120.200 -0.006 0.000 2.528 960 E HA 0.344 4.694 4.350 0.001 0.000 0.237 960 E C -0.161 176.434 176.600 -0.009 0.000 1.408 960 E CA 0.249 56.644 56.400 -0.009 0.000 1.571 960 E CB -0.625 29.071 29.700 -0.008 0.000 1.395 960 E HN 0.742 nan 8.360 nan 0.000 0.438 961 L N 0.444 121.663 121.223 -0.008 0.000 2.401 961 L HA 0.507 4.848 4.340 0.001 0.000 0.266 961 L C -2.507 174.358 176.870 -0.009 0.000 0.991 961 L CA -2.896 51.940 54.840 -0.007 0.000 0.818 961 L CB 2.005 44.063 42.059 -0.002 0.000 1.321 961 L HN -0.042 nan 8.230 nan 0.000 0.413 962 P HA 0.014 nan 4.420 nan 0.000 0.263 962 P C -0.415 176.881 177.300 -0.006 0.000 1.175 962 P CA -0.013 63.074 63.100 -0.020 0.000 0.761 962 P CB 0.762 32.451 31.700 -0.018 0.000 0.794 963 A N 4.252 127.062 122.820 -0.015 0.000 2.387 963 A HA 0.070 4.390 4.320 0.001 0.000 0.251 963 A C 0.412 178.045 177.584 0.081 0.000 1.113 963 A CA 0.055 52.110 52.037 0.030 0.000 0.794 963 A CB -0.176 18.842 19.000 0.029 0.000 1.069 963 A HN 0.650 nan 8.150 nan 0.000 0.506 964 Q N -0.671 119.197 119.800 0.114 0.000 2.312 964 Q HA 0.503 4.843 4.340 0.001 0.000 0.263 964 Q C -1.112 174.950 176.000 0.104 0.000 0.995 964 Q CA -0.898 54.963 55.803 0.098 0.000 0.853 964 Q CB 2.062 30.826 28.738 0.045 0.000 1.300 964 Q HN 0.594 nan 8.270 nan 0.000 0.448 965 L N 1.361 122.610 121.223 0.043 0.000 2.439 965 L HA 0.565 4.906 4.340 0.001 0.000 0.269 965 L C -0.052 176.652 176.870 -0.276 0.000 1.179 965 L CA 0.744 55.468 54.840 -0.195 0.000 0.828 965 L CB 0.909 42.852 42.059 -0.193 0.000 1.106 965 L HN 0.720 nan 8.230 nan 0.000 0.467 966 G N 2.717 111.235 108.800 -0.471 0.000 2.731 966 G HA2 0.469 4.430 3.960 0.001 0.000 0.298 966 G HA3 0.469 4.430 3.960 0.001 0.000 0.298 966 G C -2.002 172.643 174.900 -0.425 0.000 1.424 966 G CA -0.373 44.545 45.100 -0.304 0.000 1.029 966 G HN 0.394 nan 8.290 nan 0.000 0.518 967 Y N 0.488 120.760 120.300 -0.046 0.000 2.361 967 Y HA 0.469 5.020 4.550 0.001 0.000 0.332 967 Y C 0.405 176.349 175.900 0.075 0.000 1.101 967 Y CA -0.737 57.388 58.100 0.042 0.000 1.137 967 Y CB 2.444 40.976 38.460 0.120 0.000 1.207 967 Y HN 0.299 nan 8.280 nan 0.000 0.463 968 V N 5.151 125.202 119.914 0.229 0.000 2.304 968 V HA 0.372 4.493 4.120 0.001 0.000 0.269 968 V C 0.112 176.307 176.094 0.168 0.000 1.036 968 V CA -1.066 61.306 62.300 0.120 0.000 0.840 968 V CB -0.088 31.748 31.823 0.022 0.000 1.036 968 V HN 0.701 nan 8.190 nan 0.000 0.466 969 R N 3.320 123.909 120.500 0.150 0.000 2.582 969 R HA 0.481 4.822 4.340 0.001 0.000 0.271 969 R C 1.100 177.424 176.300 0.039 0.000 1.078 969 R CA 0.011 56.188 56.100 0.128 0.000 1.127 969 R CB 0.944 31.347 30.300 0.171 0.000 1.038 969 R HN 0.702 nan 8.270 nan 0.000 0.500 970 A N 1.913 124.714 122.820 -0.031 0.000 2.238 970 A HA 0.077 4.398 4.320 0.001 0.000 0.208 970 A C -0.410 176.876 177.584 -0.498 0.000 1.177 970 A CA 0.669 52.572 52.037 -0.224 0.000 0.804 970 A CB -0.053 18.730 19.000 -0.363 0.000 0.823 970 A HN 0.639 nan 8.150 nan 0.000 0.482 971 Y N -0.558 119.757 120.300 0.025 0.000 2.571 971 Y HA 0.354 4.905 4.550 0.001 0.000 0.341 971 Y C -0.947 174.964 175.900 0.018 0.000 1.076 971 Y CA -1.828 56.283 58.100 0.018 0.000 1.029 971 Y CB 1.333 39.800 38.460 0.012 0.000 1.308 971 Y HN 0.243 nan 8.280 nan 0.000 0.461 972 D N 1.060 121.578 120.400 0.196 0.000 2.264 972 D HA 0.061 4.701 4.640 0.001 0.000 0.249 972 D C 0.396 176.749 176.300 0.087 0.000 1.070 972 D CA -0.175 53.888 54.000 0.106 0.000 0.912 972 D CB 1.372 42.214 40.800 0.071 0.000 1.193 972 D HN 0.693 nan 8.370 nan 0.000 0.427 973 D N 0.777 121.213 120.400 0.061 0.000 5.591 973 D HA -0.235 4.405 4.640 0.001 0.000 0.357 973 D C 0.169 176.488 176.300 0.032 0.000 1.674 973 D CA 2.085 56.111 54.000 0.043 0.000 1.017 973 D CB -0.475 40.343 40.800 0.030 0.000 0.725 973 D HN 0.504 nan 8.370 nan 0.000 0.843 974 T N 2.192 116.762 114.554 0.026 0.000 3.462 974 T HA 0.339 4.690 4.350 0.001 0.000 0.257 974 T C -0.027 174.666 174.700 -0.012 0.000 1.015 974 T CA -0.195 61.910 62.100 0.008 0.000 1.135 974 T CB 0.278 69.151 68.868 0.008 0.000 1.061 974 T HN -0.040 nan 8.240 nan 0.000 0.772 975 V N 1.257 121.155 119.914 -0.027 0.000 3.098 975 V HA 0.224 4.345 4.120 0.001 0.000 0.294 975 V C 0.085 176.140 176.094 -0.064 0.000 1.351 975 V CA -1.382 60.870 62.300 -0.079 0.000 0.999 975 V CB 2.295 34.034 31.823 -0.141 0.000 1.104 975 V HN 0.618 nan 8.190 nan 0.000 0.438 976 S N 2.216 117.865 115.700 -0.084 0.000 3.225 976 S HA -0.083 4.388 4.470 0.001 0.000 0.378 976 S C 1.100 175.679 174.600 -0.036 0.000 1.190 976 S CA 0.378 58.544 58.200 -0.057 0.000 1.104 976 S CB -0.172 62.987 63.200 -0.068 0.000 0.795 976 S HN 0.811 nan 8.310 nan 0.000 0.517 977 E N 1.861 122.052 120.200 -0.015 0.000 2.526 977 E HA -0.156 4.195 4.350 0.001 0.000 0.206 977 E C 0.357 176.962 176.600 0.010 0.000 1.139 977 E CA 0.401 56.802 56.400 0.003 0.000 0.913 977 E CB 0.052 29.754 29.700 0.005 0.000 0.868 977 E HN 0.569 nan 8.360 nan 0.000 0.564 978 D N 0.391 120.791 120.400 -0.001 0.000 2.999 978 D HA -0.112 4.528 4.640 0.001 0.000 0.273 978 D C 0.863 177.171 176.300 0.013 0.000 1.485 978 D CA 0.075 54.080 54.000 0.008 0.000 1.101 978 D CB -0.585 40.214 40.800 -0.002 0.000 1.109 978 D HN -0.002 nan 8.370 nan 0.000 0.368 979 Q N 1.081 120.867 119.800 -0.023 0.000 1.703 979 Q HA -0.092 4.249 4.340 0.001 0.000 0.088 979 Q C -0.602 175.392 176.000 -0.010 0.000 0.712 979 Q CA 0.221 55.994 55.803 -0.049 0.000 1.061 979 Q CB -1.086 27.561 28.738 -0.151 0.000 1.455 979 Q HN 0.292 nan 8.270 nan 0.000 0.295 980 I N 3.074 123.687 120.570 0.072 0.000 2.330 980 I HA 0.321 4.491 4.170 0.001 0.000 0.289 980 I C -0.573 175.634 176.117 0.150 0.000 1.001 980 I CA -0.510 60.879 61.300 0.148 0.000 1.193 980 I CB 0.871 38.977 38.000 0.177 0.000 1.345 980 I HN 0.318 nan 8.210 nan 0.000 0.461 981 L N 8.113 129.374 121.223 0.062 0.000 2.415 981 L HA 0.590 4.930 4.340 0.001 0.000 0.256 981 L C -2.471 174.072 176.870 -0.545 0.000 1.010 981 L CA -1.888 52.773 54.840 -0.297 0.000 0.826 981 L CB 2.567 44.541 42.059 -0.142 0.000 1.405 981 L HN 0.313 nan 8.230 nan 0.000 0.410 982 P HA -0.043 nan 4.420 nan 0.000 0.271 982 P C -1.436 175.615 177.300 -0.416 0.000 1.233 982 P CA -0.064 62.395 63.100 -1.068 0.000 0.789 982 P CB 0.573 31.253 31.700 -1.700 0.000 0.951 983 Y N 1.542 121.653 120.300 -0.315 0.000 2.301 983 Y HA 0.433 4.984 4.550 0.001 0.000 0.325 983 Y C -0.811 174.969 175.900 -0.199 0.000 1.203 983 Y CA -0.259 57.707 58.100 -0.224 0.000 1.255 983 Y CB 0.791 39.166 38.460 -0.141 0.000 1.232 983 Y HN 0.132 nan 8.280 nan 0.000 0.501 984 V N 7.226 126.505 119.914 -1.059 0.000 2.777 984 V HA 0.243 4.364 4.120 0.001 0.000 0.306 984 V C -1.735 173.855 176.094 -0.841 0.000 1.112 984 V CA -1.570 60.258 62.300 -0.787 0.000 0.917 984 V CB 1.344 32.914 31.823 -0.422 0.000 1.018 984 V HN 0.699 nan 8.190 nan 0.000 0.426 985 P HA -0.223 nan 4.420 nan 0.000 0.221 985 P C 0.768 177.934 177.300 -0.222 0.000 0.967 985 P CA 2.888 65.801 63.100 -0.311 0.000 1.038 985 P CB -0.184 31.424 31.700 -0.153 0.000 0.731 986 G N -4.242 104.448 108.800 -0.184 0.000 2.707 986 G HA2 -0.149 3.811 3.960 0.001 0.000 0.686 986 G HA3 -0.149 3.811 3.960 0.001 0.000 0.686 986 G C 0.178 175.028 174.900 -0.082 0.000 1.315 986 G CA -0.408 44.616 45.100 -0.127 0.000 0.832 986 G HN 0.226 nan 8.290 nan 0.000 0.573 987 L N 0.448 121.630 121.223 -0.068 0.000 2.131 987 L HA 0.039 4.380 4.340 0.001 0.000 0.210 987 L C 2.547 179.388 176.870 -0.048 0.000 1.092 987 L CA 2.376 57.181 54.840 -0.057 0.000 0.759 987 L CB -0.595 41.434 42.059 -0.050 0.000 0.903 987 L HN 0.829 nan 8.230 nan 0.000 0.435 988 D N -0.514 119.862 120.400 -0.040 0.000 2.248 988 D HA -0.243 4.397 4.640 0.001 0.000 0.189 988 D C 2.076 178.356 176.300 -0.032 0.000 1.011 988 D CA 2.055 56.038 54.000 -0.029 0.000 0.868 988 D CB 0.006 40.799 40.800 -0.013 0.000 0.931 988 D HN 0.109 nan 8.370 nan 0.000 0.449 989 V N -0.594 119.302 119.914 -0.030 0.000 2.302 989 V HA -0.157 3.964 4.120 0.001 0.000 0.243 989 V C 2.656 178.728 176.094 -0.036 0.000 1.036 989 V CA 1.208 63.492 62.300 -0.026 0.000 1.020 989 V CB -0.453 31.362 31.823 -0.013 0.000 0.657 989 V HN 0.157 nan 8.190 nan 0.000 0.453 990 V N 0.967 120.856 119.914 -0.042 0.000 2.311 990 V HA -0.375 3.746 4.120 0.001 0.000 0.256 990 V C 2.395 178.451 176.094 -0.062 0.000 1.077 990 V CA 2.575 64.846 62.300 -0.048 0.000 1.067 990 V CB -1.016 30.772 31.823 -0.058 0.000 0.659 990 V HN 0.562 nan 8.190 nan 0.000 0.451 991 N N -0.047 118.610 118.700 -0.071 0.000 2.028 991 N HA -0.163 4.577 4.740 0.001 0.000 0.194 991 N C 1.864 177.305 175.510 -0.116 0.000 1.050 991 N CA 1.847 54.837 53.050 -0.100 0.000 0.848 991 N CB -0.358 38.078 38.487 -0.084 0.000 1.038 991 N HN 0.601 nan 8.380 nan 0.000 0.423 992 E N 0.347 120.497 120.200 -0.082 0.000 2.113 992 E HA -0.222 4.129 4.350 0.001 0.000 0.210 992 E C 0.662 177.209 176.600 -0.089 0.000 1.040 992 E CA 1.361 57.716 56.400 -0.076 0.000 0.847 992 E CB -0.134 29.540 29.700 -0.044 0.000 0.755 992 E HN 0.207 nan 8.360 nan 0.000 0.459 996 E N 0.730 120.854 120.200 -0.127 0.000 2.160 996 E HA -0.076 4.274 4.350 0.001 0.000 0.195 996 E C 1.666 178.194 176.600 -0.120 0.000 0.991 996 E CA 1.285 57.630 56.400 -0.091 0.000 0.810 996 E CB -0.165 29.475 29.700 -0.099 0.000 0.742 996 E HN 0.439 nan 8.360 nan 0.000 0.466 997 G N 0.317 108.980 108.800 -0.229 0.000 2.421 997 G HA2 -0.253 3.708 3.960 0.001 0.000 0.216 997 G HA3 -0.253 3.708 3.960 0.001 0.000 0.216 997 G C 1.082 176.041 174.900 0.099 0.000 1.171 997 G CA 0.708 45.488 45.100 -0.534 0.000 0.775 997 G HN 0.202 nan 8.290 nan 0.000 0.543 998 Y N 1.030 121.302 120.300 -0.048 0.000 2.181 998 Y HA -0.038 4.513 4.550 0.001 0.000 0.288 998 Y C 2.654 178.626 175.900 0.120 0.000 1.146 998 Y CA 0.871 58.973 58.100 0.003 0.000 1.164 998 Y CB -0.766 37.678 38.460 -0.027 0.000 0.982 998 Y HN 0.217 nan 8.280 nan 0.000 0.515 999 K N 0.432 120.969 120.400 0.228 0.000 2.001 999 K HA -0.224 4.097 4.320 0.001 0.000 0.214 999 K C 1.787 178.472 176.600 0.142 0.000 1.050 999 K CA 1.929 58.306 56.287 0.150 0.000 0.934 999 K CB -0.274 32.265 32.500 0.065 0.000 0.718 999 K HN 0.266 nan 8.250 nan 0.000 0.443 1000 N N -0.062 118.692 118.700 0.091 0.000 2.289 1000 N HA -0.159 4.582 4.740 0.001 0.000 0.184 1000 N C 1.735 177.319 175.510 0.122 0.000 1.016 1000 N CA 0.995 54.084 53.050 0.064 0.000 0.872 1000 N CB -0.218 38.264 38.487 -0.009 0.000 0.973 1000 N HN 0.192 nan 8.380 nan 0.000 0.433 1001 F N 2.765 122.761 119.950 0.076 0.000 2.075 1001 F HA -0.144 4.384 4.527 0.001 0.000 0.297 1001 F C 2.245 178.129 175.800 0.141 0.000 1.113 1001 F CA 1.417 59.492 58.000 0.125 0.000 1.218 1001 F CB 0.015 39.077 39.000 0.105 0.000 0.984 1001 F HN -0.156 nan 8.300 nan 0.000 0.472 1002 K N 0.401 121.022 120.400 0.368 0.000 2.063 1002 K HA -0.154 4.167 4.320 0.001 0.000 0.208 1002 K C 1.979 178.639 176.600 0.101 0.000 1.048 1002 K CA 1.459 57.899 56.287 0.255 0.000 0.928 1002 K CB -0.913 31.740 32.500 0.254 0.000 0.713 1002 K HN 0.377 nan 8.250 nan 0.000 0.442 1003 L N 1.124 122.393 121.223 0.076 0.000 2.622 1003 L HA -0.049 4.291 4.340 0.001 0.000 0.233 1003 L C 0.374 177.236 176.870 -0.014 0.000 1.156 1003 L CA 0.032 54.890 54.840 0.030 0.000 0.866 1003 L CB -0.902 41.176 42.059 0.031 0.000 0.980 1003 L HN 0.323 nan 8.230 nan 0.000 0.448 1004 N N 1.228 119.891 118.700 -0.062 0.000 2.725 1004 N HA -0.236 4.505 4.740 0.001 0.000 0.249 1004 N C -0.183 175.276 175.510 -0.085 0.000 1.103 1004 N CA 0.867 53.851 53.050 -0.111 0.000 0.707 1004 N CB -0.887 37.556 38.487 -0.074 0.000 1.043 1004 N HN 0.327 nan 8.380 nan 0.000 0.553 1005 K N 0.234 120.595 120.400 -0.065 0.000 2.459 1005 K HA 0.196 4.516 4.320 0.001 0.000 0.218 1005 K C -1.527 175.047 176.600 -0.042 0.000 1.067 1005 K CA -1.600 54.662 56.287 -0.043 0.000 1.045 1005 K CB 1.236 33.722 32.500 -0.023 0.000 1.623 1005 K HN 0.213 nan 8.250 nan 0.000 0.509 1006 P HA -0.270 nan 4.420 nan 0.000 0.214 1006 P C 0.426 177.731 177.300 0.009 0.000 1.172 1006 P CA 1.534 64.612 63.100 -0.036 0.000 0.925 1006 P CB 0.311 31.971 31.700 -0.067 0.000 0.793 1007 D N 0.004 120.403 120.400 -0.002 0.000 2.127 1007 D HA -0.175 4.466 4.640 0.001 0.000 0.190 1007 D C 2.129 178.434 176.300 0.008 0.000 1.000 1007 D CA 1.270 55.277 54.000 0.011 0.000 0.839 1007 D CB -0.902 39.901 40.800 0.005 0.000 0.955 1007 D HN 0.206 nan 8.370 nan 0.000 0.446 1008 I N 1.573 122.136 120.570 -0.011 0.000 2.226 1008 I HA -0.219 3.951 4.170 0.001 0.000 0.245 1008 I C 2.548 178.616 176.117 -0.082 0.000 1.100 1008 I CA 1.030 62.311 61.300 -0.032 0.000 1.374 1008 I CB -0.689 37.292 38.000 -0.032 0.000 1.057 1008 I HN -0.072 nan 8.210 nan 0.000 0.413 1009 A N 0.857 123.632 122.820 -0.075 0.000 1.873 1009 A HA -0.227 4.093 4.320 0.001 0.000 0.218 1009 A C 2.400 179.807 177.584 -0.294 0.000 1.193 1009 A CA 2.052 53.977 52.037 -0.186 0.000 0.629 1009 A CB -1.077 17.976 19.000 0.089 0.000 0.826 1009 A HN 0.404 nan 8.150 nan 0.000 0.447 1010 I N -0.946 119.644 120.570 0.033 0.000 2.091 1010 I HA -0.295 3.875 4.170 0.001 0.000 0.239 1010 I C 2.578 178.724 176.117 0.049 0.000 1.061 1010 I CA 1.949 63.345 61.300 0.160 0.000 1.317 1010 I CB -0.510 37.578 38.000 0.146 0.000 1.031 1010 I HN 0.323 nan 8.210 nan 0.000 0.401 1011 E N 0.573 120.778 120.200 0.009 0.000 2.147 1011 E HA -0.235 4.115 4.350 0.001 0.000 0.199 1011 E C 2.171 178.757 176.600 -0.023 0.000 1.005 1011 E CA 1.534 57.947 56.400 0.023 0.000 0.810 1011 E CB -0.373 29.340 29.700 0.022 0.000 0.736 1011 E HN 0.506 nan 8.360 nan 0.000 0.460 1012 C N -0.835 118.364 119.300 -0.169 0.000 2.491 1012 C HA -0.097 4.363 4.460 0.001 0.000 0.283 1012 C C 2.346 177.251 174.990 -0.142 0.000 1.238 1012 C CA 0.850 59.726 59.018 -0.237 0.000 1.735 1012 C CB -1.465 25.969 27.740 -0.509 0.000 2.080 1012 C HN 0.488 nan 8.230 nan 0.000 0.463 1013 F N 1.046 120.982 119.950 -0.024 0.000 2.111 1013 F HA -0.300 4.228 4.527 0.001 0.000 0.300 1013 F C 2.730 178.438 175.800 -0.153 0.000 1.088 1013 F CA 1.681 59.641 58.000 -0.067 0.000 1.243 1013 F CB -0.571 38.416 39.000 -0.022 0.000 0.996 1013 F HN 0.281 nan 8.300 nan 0.000 0.483 1014 R N 0.201 120.700 120.500 -0.002 0.000 2.083 1014 R HA -0.225 4.115 4.340 0.001 0.000 0.237 1014 R C 2.082 178.087 176.300 -0.491 0.000 1.137 1014 R CA 1.811 57.705 56.100 -0.343 0.000 0.951 1014 R CB -0.675 29.511 30.300 -0.190 0.000 0.851 1014 R HN 0.379 nan 8.270 nan 0.000 0.434 1015 E N 0.841 120.990 120.200 -0.084 0.000 2.160 1015 E HA -0.215 4.136 4.350 0.001 0.000 0.195 1015 E C 1.868 178.429 176.600 -0.065 0.000 0.991 1015 E CA 1.321 57.765 56.400 0.073 0.000 0.810 1015 E CB -0.019 29.800 29.700 0.199 0.000 0.742 1015 E HN 0.389 nan 8.360 nan 0.000 0.466 1016 A N 0.986 123.761 122.820 -0.074 0.000 1.873 1016 A HA -0.116 4.205 4.320 0.001 0.000 0.215 1016 A C 2.202 179.700 177.584 -0.142 0.000 1.186 1016 A CA 1.301 53.300 52.037 -0.063 0.000 0.616 1016 A CB -0.583 18.422 19.000 0.008 0.000 0.823 1016 A HN 0.346 nan 8.150 nan 0.000 0.442 1017 I N -1.516 118.915 120.570 -0.232 0.000 2.127 1017 I HA -0.342 3.828 4.170 0.001 0.000 0.241 1017 I C 2.502 178.455 176.117 -0.274 0.000 1.075 1017 I CA 1.855 62.990 61.300 -0.275 0.000 1.334 1017 I CB -0.706 37.077 38.000 -0.361 0.000 1.040 1017 I HN 0.469 nan 8.210 nan 0.000 0.405 1018 Y N 0.605 120.747 120.300 -0.264 0.000 2.128 1018 Y HA -0.274 4.277 4.550 0.001 0.000 0.284 1018 Y C 2.892 178.559 175.900 -0.389 0.000 1.154 1018 Y CA 0.988 58.813 58.100 -0.458 0.000 1.149 1018 Y CB -0.422 37.409 38.460 -1.049 0.000 0.976 1018 Y HN 0.029 nan 8.280 nan 0.000 0.505 1019 R N -0.176 120.217 120.500 -0.179 0.000 2.096 1019 R HA -0.173 4.167 4.340 0.001 0.000 0.235 1019 R C 2.040 178.286 176.300 -0.090 0.000 1.127 1019 R CA 1.259 57.311 56.100 -0.080 0.000 0.968 1019 R CB -0.234 30.054 30.300 -0.020 0.000 0.861 1019 R HN 0.310 nan 8.270 nan 0.000 0.440 1020 I N 0.380 120.886 120.570 -0.108 0.000 2.113 1020 I HA -0.252 3.918 4.170 0.001 0.000 0.238 1020 I C 2.074 178.122 176.117 -0.114 0.000 1.070 1020 I CA 1.637 62.866 61.300 -0.118 0.000 1.332 1020 I CB -1.463 36.454 38.000 -0.139 0.000 1.044 1020 I HN 0.180 nan 8.210 nan 0.000 0.402 1021 T N 1.771 116.268 114.554 -0.096 0.000 2.684 1021 T HA -0.207 4.144 4.350 0.001 0.000 0.267 1021 T C 1.619 176.273 174.700 -0.077 0.000 1.032 1021 T CA 1.405 63.465 62.100 -0.066 0.000 1.155 1021 T CB -0.329 68.531 68.868 -0.013 0.000 0.857 1021 T HN 0.244 nan 8.240 nan 0.000 0.457 1022 L N 0.518 121.685 121.223 -0.094 0.000 2.928 1022 L HA 0.418 4.758 4.340 0.001 0.000 0.246 1022 L C 0.571 177.367 176.870 -0.125 0.000 1.239 1022 L CA -0.362 54.403 54.840 -0.126 0.000 1.035 1022 L CB -0.075 41.888 42.059 -0.160 0.000 1.360 1022 L HN 0.230 nan 8.230 nan 0.000 0.529 1026 D N 0.236 120.649 120.400 0.022 0.000 2.107 1026 D HA 0.026 4.666 4.640 0.001 0.000 0.204 1026 D C 0.280 176.601 176.300 0.035 0.000 0.978 1026 D CA 1.123 55.156 54.000 0.056 0.000 0.852 1026 D CB 0.217 41.070 40.800 0.089 0.000 1.008 1026 D HN 0.632 nan 8.370 nan 0.000 0.458 1027 D N 0.068 120.483 120.400 0.026 0.000 2.277 1027 D HA 0.307 4.947 4.640 0.001 0.000 0.249 1027 D C 0.966 177.276 176.300 0.016 0.000 1.134 1027 D CA -0.149 53.862 54.000 0.019 0.000 0.863 1027 D CB 1.749 42.559 40.800 0.016 0.000 1.143 1027 D HN -0.030 nan 8.370 nan 0.000 0.458 1028 A N 4.143 126.972 122.820 0.015 0.000 1.958 1028 A HA -0.265 4.056 4.320 0.001 0.000 0.221 1028 A C 1.833 179.429 177.584 0.020 0.000 1.178 1028 A CA 1.445 53.492 52.037 0.017 0.000 0.642 1028 A CB -0.323 18.684 19.000 0.012 0.000 0.816 1028 A HN 0.621 nan 8.150 nan 0.000 0.453 1029 E N 0.268 120.476 120.200 0.015 0.000 2.065 1029 E HA -0.244 4.106 4.350 0.001 0.000 0.201 1029 E C 1.479 178.090 176.600 0.017 0.000 1.016 1029 E CA 1.694 58.103 56.400 0.014 0.000 0.818 1029 E CB -0.536 29.170 29.700 0.010 0.000 0.749 1029 E HN 0.671 nan 8.360 nan 0.000 0.453 1030 D N 0.316 120.724 120.400 0.014 0.000 2.219 1030 D HA -0.145 4.495 4.640 0.001 0.000 0.205 1030 D C 1.910 178.220 176.300 0.016 0.000 0.970 1030 D CA 0.793 54.798 54.000 0.008 0.000 0.851 1030 D CB -0.233 40.566 40.800 -0.003 0.000 0.943 1030 D HN 0.439 nan 8.370 nan 0.000 0.488 1031 E N 1.625 121.844 120.200 0.032 0.000 2.118 1031 E HA -0.241 4.110 4.350 0.001 0.000 0.195 1031 E C 1.943 178.629 176.600 0.144 0.000 0.992 1031 E CA 1.088 57.527 56.400 0.065 0.000 0.804 1031 E CB 0.071 29.815 29.700 0.074 0.000 0.741 1031 E HN 0.083 nan 8.360 nan 0.000 0.458 1032 K N 0.484 120.943 120.400 0.098 0.000 2.002 1032 K HA -0.130 4.191 4.320 0.001 0.000 0.209 1032 K C 2.332 178.988 176.600 0.094 0.000 1.048 1032 K CA 1.423 57.765 56.287 0.092 0.000 0.930 1032 K CB -0.246 32.276 32.500 0.037 0.000 0.714 1032 K HN 0.254 nan 8.250 nan 0.000 0.438 1033 L N 0.327 121.579 121.223 0.049 0.000 2.083 1033 L HA -0.146 4.195 4.340 0.001 0.000 0.209 1033 L C 2.288 179.167 176.870 0.015 0.000 1.083 1033 L CA 1.419 56.275 54.840 0.027 0.000 0.752 1033 L CB -0.390 41.672 42.059 0.005 0.000 0.899 1033 L HN 0.324 nan 8.230 nan 0.000 0.433 1034 A N -0.720 122.097 122.820 -0.005 0.000 1.917 1034 A HA -0.328 3.993 4.320 0.001 0.000 0.219 1034 A C 1.870 179.393 177.584 -0.102 0.000 1.182 1034 A CA 2.193 54.185 52.037 -0.075 0.000 0.633 1034 A CB -1.001 17.926 19.000 -0.121 0.000 0.819 1034 A HN 0.629 nan 8.150 nan 0.000 0.448 1035 H N -0.586 118.469 119.070 -0.023 0.000 2.326 1035 H HA -0.019 4.537 4.556 0.001 0.000 0.301 1035 H C 2.159 177.473 175.328 -0.022 0.000 1.081 1035 H CA 1.828 57.863 56.048 -0.022 0.000 1.334 1035 H CB 0.017 29.769 29.762 -0.017 0.000 1.385 1035 H HN 0.419 nan 8.280 nan 0.000 0.504 1036 K N 0.261 120.725 120.400 0.105 0.000 2.074 1036 K HA -0.162 4.159 4.320 0.001 0.000 0.209 1036 K C 2.095 178.706 176.600 0.018 0.000 1.048 1036 K CA 1.524 57.841 56.287 0.049 0.000 0.926 1036 K CB -0.137 32.382 32.500 0.032 0.000 0.713 1036 K HN 0.310 nan 8.250 nan 0.000 0.444 1037 I N 0.852 121.421 120.570 -0.002 0.000 2.142 1037 I HA -0.285 3.885 4.170 0.001 0.000 0.240 1037 I C 2.402 178.496 176.117 -0.038 0.000 1.078 1037 I CA 0.665 61.950 61.300 -0.026 0.000 1.343 1037 I CB -0.348 37.625 38.000 -0.044 0.000 1.046 1037 I HN 0.128 nan 8.210 nan 0.000 0.405 1038 L N 1.224 122.417 121.223 -0.049 0.000 2.013 1038 L HA -0.246 4.095 4.340 0.001 0.000 0.212 1038 L C 2.499 179.349 176.870 -0.032 0.000 1.073 1038 L CA 1.914 56.718 54.840 -0.060 0.000 0.753 1038 L CB -0.995 41.008 42.059 -0.094 0.000 0.890 1038 L HN 0.236 nan 8.230 nan 0.000 0.432 1039 E N -0.534 119.667 120.200 0.002 0.000 2.007 1039 E HA -0.254 4.097 4.350 0.001 0.000 0.203 1039 E C 1.949 178.535 176.600 -0.024 0.000 1.020 1039 E CA 2.203 58.604 56.400 0.002 0.000 0.845 1039 E CB -1.076 28.633 29.700 0.015 0.000 0.779 1039 E HN 0.518 nan 8.360 nan 0.000 0.466 1040 T N 2.062 116.606 114.554 -0.017 0.000 2.635 1040 T HA -0.316 4.035 4.350 0.001 0.000 0.265 1040 T C 1.939 176.605 174.700 -0.056 0.000 1.058 1040 T CA 2.474 64.569 62.100 -0.008 0.000 1.162 1040 T CB -0.683 68.186 68.868 0.002 0.000 0.859 1040 T HN 0.426 nan 8.240 nan 0.000 0.449 1041 A N 2.520 125.262 122.820 -0.130 0.000 1.859 1041 A HA -0.299 4.022 4.320 0.001 0.000 0.218 1041 A C 2.279 179.765 177.584 -0.164 0.000 1.209 1041 A CA 3.090 54.990 52.037 -0.228 0.000 0.639 1041 A CB -0.915 18.018 19.000 -0.111 0.000 0.835 1041 A HN 0.748 nan 8.150 nan 0.000 0.450 1042 R N -0.773 119.678 120.500 -0.082 0.000 2.117 1042 R HA -0.172 4.168 4.340 0.001 0.000 0.243 1042 R C 1.556 177.818 176.300 -0.063 0.000 1.143 1042 R CA 1.853 57.922 56.100 -0.051 0.000 0.968 1042 R CB -0.597 29.683 30.300 -0.034 0.000 0.863 1042 R HN 0.475 nan 8.270 nan 0.000 0.444 1043 E N -0.104 120.050 120.200 -0.076 0.000 2.265 1043 E HA -0.171 4.179 4.350 0.001 0.000 0.196 1043 E C 1.387 177.879 176.600 -0.181 0.000 0.996 1043 E CA 1.114 57.445 56.400 -0.115 0.000 0.832 1043 E CB -0.117 29.514 29.700 -0.115 0.000 0.756 1043 E HN 0.539 nan 8.360 nan 0.000 0.491 1044 Y N 0.008 120.107 120.300 -0.334 0.000 2.389 1044 Y HA 0.095 4.646 4.550 0.001 0.000 0.292 1044 Y C 2.217 178.031 175.900 -0.143 0.000 1.117 1044 Y CA 0.264 58.135 58.100 -0.380 0.000 1.195 1044 Y CB 0.042 37.901 38.460 -1.002 0.000 1.076 1044 Y HN -0.068 nan 8.280 nan 0.000 0.548 1045 I N -0.553 120.037 120.570 0.033 0.000 2.226 1045 I HA -0.317 3.853 4.170 0.001 0.000 0.245 1045 I C 2.370 178.521 176.117 0.057 0.000 1.100 1045 I CA 1.229 62.605 61.300 0.126 0.000 1.374 1045 I CB -0.436 37.624 38.000 0.100 0.000 1.057 1045 I HN 0.226 nan 8.210 nan 0.000 0.413 1046 L N 0.898 122.116 121.223 -0.007 0.000 1.955 1046 L HA -0.183 4.158 4.340 0.001 0.000 0.213 1046 L C 2.625 179.435 176.870 -0.101 0.000 1.072 1046 L CA 2.172 56.975 54.840 -0.060 0.000 0.755 1046 L CB -1.034 40.970 42.059 -0.091 0.000 0.888 1046 L HN 0.312 nan 8.230 nan 0.000 0.432 1047 G N 0.078 108.844 108.800 -0.055 0.000 2.574 1047 G HA2 -0.331 3.629 3.960 0.001 0.000 0.220 1047 G HA3 -0.331 3.629 3.960 0.001 0.000 0.220 1047 G C 1.533 176.366 174.900 -0.111 0.000 1.173 1047 G CA 1.403 46.545 45.100 0.070 0.000 0.772 1047 G HN 0.407 nan 8.290 nan 0.000 0.585 1048 L N 0.385 121.606 121.223 -0.005 0.000 2.027 1048 L HA -0.077 4.264 4.340 0.001 0.000 0.206 1048 L C 3.229 180.011 176.870 -0.148 0.000 1.074 1048 L CA 1.288 56.088 54.840 -0.065 0.000 0.745 1048 L CB -0.583 41.570 42.059 0.157 0.000 0.898 1048 L HN 0.181 nan 8.230 nan 0.000 0.433 1049 S N 0.159 115.816 115.700 -0.071 0.000 2.392 1049 S HA -0.210 4.261 4.470 0.001 0.000 0.232 1049 S C 1.886 176.393 174.600 -0.155 0.000 1.041 1049 S CA 1.497 59.672 58.200 -0.041 0.000 1.026 1049 S CB -0.353 62.874 63.200 0.045 0.000 0.845 1049 S HN 0.283 nan 8.310 nan 0.000 0.465 1050 I N 0.832 121.175 120.570 -0.379 0.000 2.141 1050 I HA -0.147 4.023 4.170 0.001 0.000 0.236 1050 I C 2.704 178.604 176.117 -0.361 0.000 1.071 1050 I CA 1.460 62.472 61.300 -0.480 0.000 1.345 1050 I CB -0.547 37.139 38.000 -0.522 0.000 1.066 1050 I HN 0.251 nan 8.210 nan 0.000 0.406 1051 E N 1.725 121.560 120.200 -0.608 0.000 2.114 1051 E HA -0.265 4.085 4.350 0.001 0.000 0.199 1051 E C 2.199 178.620 176.600 -0.299 0.000 1.008 1051 E CA 1.635 57.679 56.400 -0.593 0.000 0.810 1051 E CB -0.462 28.642 29.700 -0.993 0.000 0.739 1051 E HN 0.395 nan 8.360 nan 0.000 0.456 1052 L N 0.167 121.249 121.223 -0.234 0.000 2.012 1052 L HA -0.224 4.116 4.340 0.001 0.000 0.210 1052 L C 2.632 179.466 176.870 -0.059 0.000 1.073 1052 L CA 2.256 57.028 54.840 -0.113 0.000 0.748 1052 L CB -0.362 41.661 42.059 -0.061 0.000 0.891 1052 L HN 0.381 nan 8.230 nan 0.000 0.431 1053 E N -0.669 119.516 120.200 -0.025 0.000 2.285 1053 E HA -0.209 4.142 4.350 0.001 0.000 0.194 1053 E C 2.283 178.888 176.600 0.009 0.000 0.997 1053 E CA 0.213 56.635 56.400 0.037 0.000 0.845 1053 E CB 0.085 29.883 29.700 0.162 0.000 0.782 1053 E HN 0.174 nan 8.360 nan 0.000 0.491 1054 R N 0.864 121.338 120.500 -0.043 0.000 2.148 1054 R HA -0.027 4.313 4.340 0.001 0.000 0.223 1054 R C 1.824 178.097 176.300 -0.045 0.000 1.088 1054 R CA 0.951 57.020 56.100 -0.051 0.000 0.985 1054 R CB -0.023 30.217 30.300 -0.099 0.000 0.880 1054 R HN 0.202 nan 8.270 nan 0.000 0.451 1055 R N -0.045 120.422 120.500 -0.055 0.000 2.119 1055 R HA -0.001 4.339 4.340 0.001 0.000 0.222 1055 R C 1.520 177.807 176.300 -0.022 0.000 1.088 1055 R CA 1.263 57.339 56.100 -0.041 0.000 0.984 1055 R CB -0.044 30.225 30.300 -0.053 0.000 0.884 1055 R HN 0.142 nan 8.270 nan 0.000 0.447 1056 S N 0.785 116.477 115.700 -0.014 0.000 2.930 1056 S HA 0.211 4.682 4.470 0.001 0.000 0.257 1056 S C 0.254 174.854 174.600 0.000 0.000 1.208 1056 S CA -0.200 57.998 58.200 -0.003 0.000 1.233 1056 S CB -0.408 62.795 63.200 0.005 0.000 0.900 1056 S HN 0.079 nan 8.310 nan 0.000 0.472 1057 L N 1.237 122.458 121.223 -0.004 0.000 2.346 1057 L HA 0.516 4.857 4.340 0.001 0.000 0.276 1057 L C -0.010 176.858 176.870 -0.003 0.000 1.006 1057 L CA -0.822 54.016 54.840 -0.003 0.000 0.817 1057 L CB 1.937 43.991 42.059 -0.009 0.000 1.272 1057 L HN 0.152 nan 8.230 nan 0.000 0.421 1058 K N 2.492 122.892 120.400 -0.001 0.000 2.174 1058 K HA 0.204 4.524 4.320 0.001 0.000 0.275 1058 K C -0.222 176.379 176.600 0.001 0.000 1.015 1058 K CA -0.674 55.614 56.287 0.001 0.000 0.933 1058 K CB 0.889 33.390 32.500 0.002 0.000 1.025 1058 K HN 0.529 nan 8.250 nan 0.000 0.463 1059 E N 0.872 121.076 120.200 0.006 0.000 2.641 1059 E HA -0.180 4.171 4.350 0.001 0.000 0.272 1059 E C 0.709 177.314 176.600 0.008 0.000 0.990 1059 E CA 0.704 57.111 56.400 0.012 0.000 0.971 1059 E CB -0.064 29.646 29.700 0.016 0.000 0.967 1059 E HN 0.851 nan 8.360 nan 0.000 0.464 1060 G N 3.351 112.156 108.800 0.009 0.000 2.299 1060 G HA2 -0.331 3.629 3.960 0.001 0.000 0.237 1060 G HA3 -0.331 3.629 3.960 0.001 0.000 0.237 1060 G C 0.750 175.644 174.900 -0.010 0.000 1.027 1060 G CA 0.218 45.320 45.100 0.003 0.000 0.619 1060 G HN 0.577 nan 8.290 nan 0.000 0.513 1061 N N 2.000 120.691 118.700 -0.016 0.000 2.575 1061 N HA -0.010 4.730 4.740 0.001 0.000 0.192 1061 N C 2.263 177.743 175.510 -0.051 0.000 1.200 1061 N CA 1.572 54.608 53.050 -0.023 0.000 0.897 1061 N CB -0.462 38.016 38.487 -0.016 0.000 0.990 1061 N HN 0.788 nan 8.380 nan 0.000 0.449 1062 T N -0.612 113.899 114.554 -0.071 0.000 2.684 1062 T HA -0.285 4.065 4.350 0.001 0.000 0.259 1062 T C 2.084 176.684 174.700 -0.167 0.000 1.086 1062 T CA 2.274 64.282 62.100 -0.153 0.000 1.155 1062 T CB -1.187 67.597 68.868 -0.142 0.000 0.848 1062 T HN 0.052 nan 8.240 nan 0.000 0.464 1063 V N 2.052 121.906 119.914 -0.100 0.000 2.220 1063 V HA -0.178 3.943 4.120 0.001 0.000 0.250 1063 V C 1.970 178.019 176.094 -0.076 0.000 1.056 1063 V CA 1.916 64.170 62.300 -0.077 0.000 1.016 1063 V CB -1.068 30.738 31.823 -0.029 0.000 0.639 1063 V HN 0.525 nan 8.190 nan 0.000 0.446 1067 E N 1.558 121.650 120.200 -0.180 0.000 2.023 1067 E HA -0.187 4.164 4.350 0.001 0.000 0.196 1067 E C 2.112 178.215 176.600 -0.829 0.000 1.003 1067 E CA 1.911 58.040 56.400 -0.452 0.000 0.809 1067 E CB 0.090 29.620 29.700 -0.283 0.000 0.755 1067 E HN 0.367 nan 8.360 nan 0.000 0.449 1068 L N 0.223 121.201 121.223 -0.409 0.000 1.994 1068 L HA -0.176 4.165 4.340 0.001 0.000 0.208 1068 L C 2.692 179.449 176.870 -0.190 0.000 1.071 1068 L CA 1.063 55.760 54.840 -0.238 0.000 0.745 1068 L CB -0.603 41.407 42.059 -0.080 0.000 0.892 1068 L HN 0.220 nan 8.230 nan 0.000 0.431 1069 A N 0.068 122.802 122.820 -0.144 0.000 1.986 1069 A HA -0.230 4.091 4.320 0.001 0.000 0.220 1069 A C 2.414 179.855 177.584 -0.238 0.000 1.171 1069 A CA 2.057 54.040 52.037 -0.089 0.000 0.640 1069 A CB -0.633 18.351 19.000 -0.026 0.000 0.811 1069 A HN 0.463 nan 8.150 nan 0.000 0.451 1070 A N -2.137 120.460 122.820 -0.372 0.000 2.081 1070 A HA 0.157 4.477 4.320 0.001 0.000 0.214 1070 A C 1.985 179.263 177.584 -0.511 0.000 1.158 1070 A CA 0.748 52.397 52.037 -0.647 0.000 0.724 1070 A CB -0.515 18.084 19.000 -0.668 0.000 0.826 1070 A HN 0.663 nan 8.150 nan 0.000 0.463 1071 Y N -2.236 117.878 120.300 -0.311 0.000 2.220 1071 Y HA -0.171 4.380 4.550 0.001 0.000 0.291 1071 Y C 2.226 178.065 175.900 -0.102 0.000 1.129 1071 Y CA 0.673 58.657 58.100 -0.193 0.000 1.161 1071 Y CB -0.288 38.085 38.460 -0.145 0.000 0.997 1071 Y HN 0.410 nan 8.280 nan 0.000 0.522 1072 F N 1.688 121.571 119.950 -0.111 0.000 2.147 1072 F HA -0.296 4.231 4.527 0.001 0.000 0.301 1072 F C 2.119 177.819 175.800 -0.167 0.000 1.084 1072 F CA 1.911 59.815 58.000 -0.159 0.000 1.268 1072 F CB -1.118 37.777 39.000 -0.176 0.000 1.009 1072 F HN -0.107 nan 8.300 nan 0.000 0.486 1073 T N 0.201 114.607 114.554 -0.247 0.000 2.849 1073 T HA -0.172 4.178 4.350 0.001 0.000 0.270 1073 T C 2.043 176.663 174.700 -0.134 0.000 1.066 1073 T CA 1.172 63.068 62.100 -0.339 0.000 1.130 1073 T CB -0.187 68.456 68.868 -0.374 0.000 0.864 1073 T HN 0.085 nan 8.240 nan 0.000 0.481 1074 K N 1.327 121.726 120.400 -0.002 0.000 2.366 1074 K HA 0.230 4.550 4.320 0.001 0.000 0.198 1074 K C 0.934 177.520 176.600 -0.023 0.000 1.044 1074 K CA -0.043 56.293 56.287 0.081 0.000 0.973 1074 K CB -0.308 32.290 32.500 0.162 0.000 0.767 1074 K HN 0.327 nan 8.250 nan 0.000 0.475 1075 A N 2.315 125.084 122.820 -0.084 0.000 2.513 1075 A HA -0.023 4.298 4.320 0.001 0.000 0.274 1075 A C -0.128 177.334 177.584 -0.203 0.000 1.115 1075 A CA 0.227 52.182 52.037 -0.136 0.000 0.792 1075 A CB -0.348 18.584 19.000 -0.113 0.000 1.053 1075 A HN 0.121 nan 8.150 nan 0.000 0.515 1076 K N 3.115 123.420 120.400 -0.159 0.000 2.086 1076 K HA 0.112 4.432 4.320 0.001 0.000 0.215 1076 K C -0.328 176.142 176.600 -0.217 0.000 1.207 1076 K CA 0.350 56.547 56.287 -0.151 0.000 1.206 1076 K CB -0.693 31.752 32.500 -0.091 0.000 1.253 1076 K HN 0.650 nan 8.250 nan 0.000 0.234 1077 L N 0.154 121.182 121.223 -0.326 0.000 2.365 1077 L HA 0.299 4.639 4.340 0.001 0.000 0.267 1077 L C 0.824 177.577 176.870 -0.196 0.000 1.033 1077 L CA -1.164 53.415 54.840 -0.435 0.000 0.802 1077 L CB 1.040 42.625 42.059 -0.789 0.000 1.267 1077 L HN 0.267 nan 8.230 nan 0.000 0.457 1078 S N 0.277 115.937 115.700 -0.066 0.000 2.558 1078 S HA 0.071 4.542 4.470 0.001 0.000 0.288 1078 S C -1.536 173.001 174.600 -0.104 0.000 1.318 1078 S CA -0.852 57.334 58.200 -0.023 0.000 1.056 1078 S CB 0.406 63.654 63.200 0.080 0.000 0.853 1078 S HN 0.558 nan 8.310 nan 0.000 0.505 1079 P HA -0.246 nan 4.420 nan 0.000 0.213 1079 P C 1.793 178.967 177.300 -0.211 0.000 1.170 1079 P CA 1.349 64.351 63.100 -0.164 0.000 0.902 1079 P CB -0.124 31.490 31.700 -0.143 0.000 0.789 1080 I N -0.529 119.908 120.570 -0.223 0.000 2.182 1080 I HA -0.330 3.840 4.170 0.001 0.000 0.248 1080 I C 2.176 178.093 176.117 -0.333 0.000 1.073 1080 I CA 2.054 63.175 61.300 -0.299 0.000 1.335 1080 I CB -0.542 37.254 38.000 -0.341 0.000 1.031 1080 I HN -0.011 nan 8.210 nan 0.000 0.420 1081 H N -0.302 118.666 119.070 -0.171 0.000 2.482 1081 H HA 0.019 4.575 4.556 0.001 0.000 0.286 1081 H C 2.187 177.393 175.328 -0.204 0.000 1.017 1081 H CA 0.703 56.636 56.048 -0.191 0.000 1.322 1081 H CB 0.004 29.494 29.762 -0.454 0.000 1.426 1081 H HN 0.263 nan 8.280 nan 0.000 0.546 1082 R N 0.485 120.869 120.500 -0.195 0.000 2.280 1082 R HA -0.089 4.252 4.340 0.001 0.000 0.207 1082 R C 1.295 177.431 176.300 -0.273 0.000 1.043 1082 R CA 0.974 56.900 56.100 -0.291 0.000 1.006 1082 R CB -0.012 30.118 30.300 -0.283 0.000 0.885 1082 R HN 0.246 nan 8.270 nan 0.000 0.467 1083 T N 1.216 115.630 114.554 -0.232 0.000 2.622 1083 T HA -0.121 4.230 4.350 0.001 0.000 0.266 1083 T C 1.249 175.919 174.700 -0.051 0.000 1.047 1083 T CA 1.936 63.879 62.100 -0.262 0.000 1.159 1083 T CB -0.261 68.401 68.868 -0.343 0.000 0.863 1083 T HN 0.413 nan 8.240 nan 0.000 0.422 1084 N N 1.399 120.115 118.700 0.027 0.000 2.137 1084 N HA -0.074 4.666 4.740 0.001 0.000 0.190 1084 N C 1.852 177.362 175.510 -0.000 0.000 1.017 1084 N CA 1.324 54.433 53.050 0.098 0.000 0.859 1084 N CB -0.467 38.147 38.487 0.212 0.000 1.002 1084 N HN 0.449 nan 8.380 nan 0.000 0.428 1085 A N 0.852 123.515 122.820 -0.261 0.000 1.841 1085 A HA -0.031 4.290 4.320 0.001 0.000 0.214 1085 A C 2.209 179.545 177.584 -0.414 0.000 1.195 1085 A CA 0.949 52.545 52.037 -0.735 0.000 0.611 1085 A CB -0.916 17.196 19.000 -1.480 0.000 0.835 1085 A HN 0.200 nan 8.150 nan 0.000 0.443 1086 L N -0.635 120.386 121.223 -0.337 0.000 2.021 1086 L HA -0.327 4.013 4.340 0.001 0.000 0.215 1086 L C 2.969 179.780 176.870 -0.098 0.000 1.074 1086 L CA 2.157 56.852 54.840 -0.242 0.000 0.760 1086 L CB -0.666 41.356 42.059 -0.061 0.000 0.889 1086 L HN 0.611 nan 8.230 nan 0.000 0.433 1087 Q N -0.085 119.761 119.800 0.077 0.000 2.096 1087 Q HA -0.204 4.137 4.340 0.001 0.000 0.204 1087 Q C 2.293 178.271 176.000 -0.036 0.000 0.982 1087 Q CA 2.093 57.911 55.803 0.025 0.000 0.850 1087 Q CB 0.005 28.797 28.738 0.090 0.000 0.901 1087 Q HN 0.376 nan 8.270 nan 0.000 0.422 1088 V N 1.359 121.260 119.914 -0.022 0.000 2.255 1088 V HA -0.239 3.881 4.120 0.001 0.000 0.247 1088 V C 1.586 177.656 176.094 -0.040 0.000 1.051 1088 V CA 1.321 63.623 62.300 0.005 0.000 1.018 1088 V CB -1.182 30.696 31.823 0.092 0.000 0.641 1088 V HN 0.493 nan 8.190 nan 0.000 0.445 1092 Q N 1.345 121.271 119.800 0.210 0.000 2.389 1092 Q HA -0.093 4.248 4.340 0.001 0.000 0.213 1092 Q C 0.221 176.422 176.000 0.336 0.000 0.989 1092 Q CA 1.514 57.483 55.803 0.275 0.000 0.891 1092 Q CB -0.588 28.272 28.738 0.203 0.000 0.923 1092 Q HN 0.744 nan 8.270 nan 0.000 0.455 1093 H N -1.765 117.423 119.070 0.196 0.000 2.577 1093 H HA 0.205 4.762 4.556 0.001 0.000 0.306 1093 H C -0.033 175.343 175.328 0.080 0.000 1.109 1093 H CA -0.172 55.967 56.048 0.151 0.000 1.063 1093 H CB -0.223 29.674 29.762 0.226 0.000 1.535 1093 H HN 0.090 nan 8.280 nan 0.000 0.532 1094 F N -0.847 119.086 119.950 -0.028 0.000 2.637 1094 F HA 0.195 4.723 4.527 0.001 0.000 0.342 1094 F C 1.404 177.121 175.800 -0.137 0.000 0.822 1094 F CA 0.057 57.956 58.000 -0.168 0.000 1.046 1094 F CB 0.650 39.624 39.000 -0.044 0.000 0.921 1094 F HN -0.137 nan 8.300 nan 0.000 0.649 1095 K N 0.032 120.480 120.400 0.079 0.000 2.551 1095 K HA 0.066 4.386 4.320 0.001 0.000 0.192 1095 K C -0.219 176.054 176.600 -0.546 0.000 1.027 1095 K CA 0.602 56.799 56.287 -0.150 0.000 1.059 1095 K CB -0.115 32.324 32.500 -0.102 0.000 0.831 1095 K HN 0.321 nan 8.250 nan 0.000 0.508 1096 H N 0.104 119.099 119.070 -0.125 0.000 2.907 1096 H HA 0.053 4.609 4.556 0.001 0.000 0.233 1096 H C -0.761 174.411 175.328 -0.260 0.000 1.285 1096 H CA -0.308 55.642 56.048 -0.163 0.000 0.981 1096 H CB 0.376 30.042 29.762 -0.161 0.000 2.255 1096 H HN 0.041 nan 8.280 nan 0.000 0.601 1097 K N 1.702 121.896 120.400 -0.344 0.000 3.903 1097 K HA -0.241 4.079 4.320 0.001 0.000 0.275 1097 K C -1.005 175.281 176.600 -0.522 0.000 0.825 1097 K CA 0.583 56.557 56.287 -0.522 0.000 0.684 1097 K CB -1.342 31.155 32.500 -0.005 0.000 1.707 1097 K HN 0.492 nan 8.250 nan 0.000 0.435 1098 N N 1.562 119.820 118.700 -0.735 0.000 2.723 1098 N HA 0.195 4.935 4.740 0.001 0.000 0.290 1098 N C -0.246 175.158 175.510 -0.177 0.000 1.882 1098 N CA -0.581 52.314 53.050 -0.259 0.000 0.851 1098 N CB 0.361 38.803 38.487 -0.076 0.000 1.234 1098 N HN 0.193 nan 8.380 nan 0.000 0.491 1099 F N -0.471 119.538 119.950 0.098 0.000 2.699 1099 F HA 0.033 4.561 4.527 0.001 0.000 0.298 1099 F C 1.655 177.525 175.800 0.116 0.000 1.154 1099 F CA 0.008 58.087 58.000 0.132 0.000 1.457 1099 F CB 0.063 39.110 39.000 0.077 0.000 1.106 1099 F HN 0.331 nan 8.300 nan 0.000 0.585 1100 L N -0.354 121.019 121.223 0.249 0.000 2.478 1100 L HA -0.059 4.282 4.340 0.001 0.000 0.223 1100 L C 1.450 178.391 176.870 0.117 0.000 1.140 1100 L CA 1.568 56.509 54.840 0.168 0.000 0.842 1100 L CB -0.565 41.574 42.059 0.133 0.000 0.953 1100 L HN 0.125 nan 8.230 nan 0.000 0.452 1101 Q N -3.001 116.861 119.800 0.103 0.000 2.313 1101 Q HA 0.315 4.656 4.340 0.001 0.000 0.263 1101 Q C 2.069 177.962 176.000 -0.178 0.000 0.820 1101 Q CA 0.666 56.417 55.803 -0.087 0.000 0.974 1101 Q CB -0.099 28.552 28.738 -0.144 0.000 1.156 1101 Q HN 0.262 nan 8.270 nan 0.000 0.517 1102 A N 0.525 123.394 122.820 0.081 0.000 1.883 1102 A HA -0.234 4.086 4.320 0.001 0.000 0.217 1102 A C 2.137 179.828 177.584 0.178 0.000 1.186 1102 A CA 2.083 54.241 52.037 0.201 0.000 0.624 1102 A CB -0.928 18.277 19.000 0.342 0.000 0.822 1102 A HN 0.296 nan 8.150 nan 0.000 0.444 1103 S N -2.194 113.632 115.700 0.210 0.000 2.419 1103 S HA -0.170 4.301 4.470 0.001 0.000 0.233 1103 S C 1.802 176.495 174.600 0.156 0.000 1.016 1103 S CA 1.563 59.876 58.200 0.189 0.000 0.974 1103 S CB -0.503 62.817 63.200 0.200 0.000 0.786 1103 S HN 0.682 nan 8.310 nan 0.000 0.492 1104 Y N 1.310 121.589 120.300 -0.036 0.000 2.130 1104 Y HA 0.023 4.573 4.550 0.001 0.000 0.287 1104 Y C 1.585 177.497 175.900 0.020 0.000 1.124 1104 Y CA 1.367 59.417 58.100 -0.083 0.000 1.118 1104 Y CB -1.012 37.294 38.460 -0.256 0.000 0.994 1104 Y HN 0.267 nan 8.280 nan 0.000 0.497 1105 F N 0.715 120.534 119.950 -0.218 0.000 2.026 1105 F HA -0.130 4.397 4.527 0.001 0.000 0.296 1105 F C 2.837 178.547 175.800 -0.150 0.000 1.133 1105 F CA 1.361 59.166 58.000 -0.325 0.000 1.188 1105 F CB -1.682 37.207 39.000 -0.184 0.000 0.968 1105 F HN 0.147 nan 8.300 nan 0.000 0.476 1106 A N 0.324 123.222 122.820 0.130 0.000 1.971 1106 A HA -0.195 4.125 4.320 0.001 0.000 0.222 1106 A C 2.554 180.180 177.584 0.069 0.000 1.182 1106 A CA 2.223 54.276 52.037 0.026 0.000 0.649 1106 A CB -1.632 17.357 19.000 -0.019 0.000 0.818 1106 A HN 0.471 nan 8.150 nan 0.000 0.458 1107 G N -1.108 107.729 108.800 0.062 0.000 2.395 1107 G HA2 -0.113 3.848 3.960 0.001 0.000 0.214 1107 G HA3 -0.113 3.848 3.960 0.001 0.000 0.214 1107 G C 1.389 176.320 174.900 0.051 0.000 1.177 1107 G CA 1.020 46.161 45.100 0.068 0.000 0.794 1107 G HN 0.524 nan 8.290 nan 0.000 0.532 1108 E N -0.196 119.977 120.200 -0.045 0.000 2.333 1108 E HA -0.057 4.293 4.350 0.001 0.000 0.198 1108 E C 1.746 178.335 176.600 -0.017 0.000 1.007 1108 E CA 0.455 56.799 56.400 -0.092 0.000 0.845 1108 E CB -0.326 29.181 29.700 -0.322 0.000 0.766 1108 E HN 0.501 nan 8.360 nan 0.000 0.507 1109 F N -0.200 119.688 119.950 -0.103 0.000 2.104 1109 F HA 0.021 4.548 4.527 0.001 0.000 0.288 1109 F C 1.702 177.465 175.800 -0.063 0.000 1.107 1109 F CA 0.810 58.758 58.000 -0.088 0.000 1.208 1109 F CB -0.118 38.835 39.000 -0.079 0.000 1.033 1109 F HN -0.062 nan 8.300 nan 0.000 0.478 1110 L N 1.152 122.652 121.223 0.461 0.000 2.263 1110 L HA -0.245 4.096 4.340 0.001 0.000 0.216 1110 L C 1.724 178.655 176.870 0.101 0.000 1.111 1110 L CA 1.694 56.710 54.840 0.294 0.000 0.773 1110 L CB -0.951 41.208 42.059 0.166 0.000 0.906 1110 L HN 0.306 nan 8.230 nan 0.000 0.439 1111 K N -0.305 120.122 120.400 0.044 0.000 2.665 1111 K HA 0.122 4.442 4.320 0.001 0.000 0.214 1111 K C 0.917 177.483 176.600 -0.058 0.000 1.032 1111 K CA 0.454 56.739 56.287 -0.003 0.000 1.198 1111 K CB 0.226 32.727 32.500 0.000 0.000 0.941 1111 K HN 0.336 nan 8.250 nan 0.000 0.491 1112 I N -0.688 119.817 120.570 -0.108 0.000 5.007 1112 I HA 0.149 4.319 4.170 0.001 0.000 0.323 1112 I C -0.264 175.747 176.117 -0.177 0.000 1.195 1112 I CA -0.450 60.750 61.300 -0.167 0.000 1.407 1112 I CB 0.742 38.586 38.000 -0.260 0.000 1.544 1112 I HN 0.093 nan 8.210 nan 0.000 0.505 1113 I N 1.591 122.040 120.570 -0.202 0.000 2.328 1113 I HA 0.193 4.364 4.170 0.001 0.000 0.287 1113 I C 1.280 177.414 176.117 0.027 0.000 1.012 1113 I CA 0.486 61.717 61.300 -0.116 0.000 1.195 1113 I CB 1.456 39.344 38.000 -0.185 0.000 1.350 1113 I HN 0.032 nan 8.210 nan 0.000 0.464 1114 S N 4.985 120.693 115.700 0.013 0.000 2.325 1114 S HA -0.011 4.460 4.470 0.001 0.000 0.213 1114 S C 0.856 175.485 174.600 0.048 0.000 1.031 1114 S CA 0.958 59.176 58.200 0.029 0.000 0.984 1114 S CB 0.270 63.476 63.200 0.010 0.000 0.939 1114 S HN 0.660 nan 8.310 nan 0.000 0.438 1115 S N -0.598 115.126 115.700 0.041 0.000 2.668 1115 S HA 0.671 5.142 4.470 0.001 0.000 0.277 1115 S C -0.559 174.065 174.600 0.040 0.000 1.170 1115 S CA 0.029 58.253 58.200 0.040 0.000 0.994 1115 S CB 0.999 64.213 63.200 0.024 0.000 1.051 1115 S HN 0.889 nan 8.310 nan 0.000 0.484 1116 G N 3.820 112.648 108.800 0.047 0.000 2.559 1116 G HA2 0.540 4.501 3.960 0.001 0.000 0.291 1116 G HA3 0.540 4.501 3.960 0.001 0.000 0.291 1116 G C -2.618 172.300 174.900 0.030 0.000 1.424 1116 G CA -0.831 44.294 45.100 0.041 0.000 0.786 1116 G HN 0.411 nan 8.290 nan 0.000 0.485 1117 P HA -0.231 nan 4.420 nan 0.000 0.214 1117 P C 1.588 178.884 177.300 -0.008 0.000 1.163 1117 P CA 1.108 64.211 63.100 0.006 0.000 0.889 1117 P CB 0.204 31.908 31.700 0.007 0.000 0.790 1118 R N 0.522 121.026 120.500 0.008 0.000 2.073 1118 R HA -0.116 4.225 4.340 0.001 0.000 0.234 1118 R C 2.345 178.593 176.300 -0.086 0.000 1.134 1118 R CA 1.857 57.943 56.100 -0.023 0.000 0.952 1118 R CB -1.084 29.247 30.300 0.052 0.000 0.850 1118 R HN 0.064 nan 8.270 nan 0.000 0.433 1119 A N 1.485 124.323 122.820 0.031 0.000 1.892 1119 A HA -0.226 4.095 4.320 0.001 0.000 0.218 1119 A C 1.990 179.537 177.584 -0.062 0.000 1.188 1119 A CA 1.902 53.968 52.037 0.049 0.000 0.631 1119 A CB -0.639 18.470 19.000 0.181 0.000 0.822 1119 A HN 0.587 nan 8.150 nan 0.000 0.447 1120 E N -1.046 119.132 120.200 -0.036 0.000 2.160 1120 E HA -0.276 4.074 4.350 0.001 0.000 0.195 1120 E C 2.244 178.791 176.600 -0.088 0.000 0.991 1120 E CA 1.393 57.766 56.400 -0.045 0.000 0.810 1120 E CB -0.127 29.557 29.700 -0.026 0.000 0.742 1120 E HN 0.848 nan 8.360 nan 0.000 0.466 1121 Q N 0.325 120.047 119.800 -0.130 0.000 2.083 1121 Q HA -0.114 4.227 4.340 0.001 0.000 0.198 1121 Q C 2.156 178.016 176.000 -0.233 0.000 0.969 1121 Q CA 1.144 56.847 55.803 -0.167 0.000 0.838 1121 Q CB -0.096 28.537 28.738 -0.175 0.000 0.900 1121 Q HN 0.222 nan 8.270 nan 0.000 0.436 1122 A N 1.140 123.764 122.820 -0.327 0.000 1.986 1122 A HA -0.232 4.088 4.320 0.001 0.000 0.220 1122 A C 2.012 179.471 177.584 -0.208 0.000 1.171 1122 A CA 1.523 53.324 52.037 -0.393 0.000 0.640 1122 A CB -0.437 18.125 19.000 -0.730 0.000 0.811 1122 A HN 0.385 nan 8.150 nan 0.000 0.451 1123 R N -0.628 119.792 120.500 -0.134 0.000 2.064 1123 R HA -0.090 4.251 4.340 0.001 0.000 0.228 1123 R C 2.362 178.629 176.300 -0.055 0.000 1.144 1123 R CA 1.526 57.590 56.100 -0.060 0.000 0.932 1123 R CB -0.417 29.864 30.300 -0.032 0.000 0.833 1123 R HN 0.526 nan 8.270 nan 0.000 0.429 1124 K N 0.737 121.096 120.400 -0.069 0.000 2.228 1124 K HA -0.164 4.157 4.320 0.001 0.000 0.205 1124 K C 1.897 178.457 176.600 -0.067 0.000 1.045 1124 K CA 1.234 57.490 56.287 -0.052 0.000 0.931 1124 K CB 0.049 32.513 32.500 -0.060 0.000 0.727 1124 K HN 0.109 nan 8.250 nan 0.000 0.458 1125 I N 1.053 121.525 120.570 -0.164 0.000 2.406 1125 I HA -0.190 3.981 4.170 0.001 0.000 0.249 1125 I C 2.255 178.367 176.117 -0.009 0.000 1.122 1125 I CA 1.160 62.290 61.300 -0.283 0.000 1.431 1125 I CB -0.762 36.951 38.000 -0.478 0.000 1.087 1125 I HN 0.248 nan 8.210 nan 0.000 0.424 1126 K N 0.945 121.352 120.400 0.012 0.000 2.288 1126 K HA -0.116 4.204 4.320 0.001 0.000 0.201 1126 K C 1.691 178.362 176.600 0.118 0.000 1.048 1126 K CA 0.755 57.096 56.287 0.090 0.000 0.956 1126 K CB 0.226 32.760 32.500 0.057 0.000 0.746 1126 K HN 0.338 nan 8.250 nan 0.000 0.461 1127 N N 1.095 119.849 118.700 0.091 0.000 2.124 1127 N HA -0.089 4.652 4.740 0.001 0.000 0.189 1127 N C 1.318 176.896 175.510 0.113 0.000 1.050 1127 N CA 1.044 54.143 53.050 0.082 0.000 0.848 1127 N CB -0.150 38.368 38.487 0.053 0.000 1.027 1127 N HN 0.112 nan 8.380 nan 0.000 0.435 1128 K N 0.996 121.490 120.400 0.156 0.000 2.442 1128 K HA -0.034 4.286 4.320 0.001 0.000 0.200 1128 K C 1.512 178.234 176.600 0.203 0.000 1.045 1128 K CA 0.751 57.150 56.287 0.186 0.000 0.937 1128 K CB 0.041 32.724 32.500 0.304 0.000 0.757 1128 K HN 0.196 nan 8.250 nan 0.000 0.474 1129 A N 0.520 123.542 122.820 0.338 0.000 2.085 1129 A HA -0.009 4.311 4.320 0.001 0.000 0.208 1129 A C 1.215 178.904 177.584 0.175 0.000 1.191 1129 A CA 0.338 52.638 52.037 0.438 0.000 0.799 1129 A CB 0.361 19.829 19.000 0.780 0.000 0.877 1129 A HN 0.054 nan 8.150 nan 0.000 0.473 1130 D N 1.051 121.527 120.400 0.127 0.000 2.413 1130 D HA 0.100 4.741 4.640 0.001 0.000 0.237 1130 D C 0.435 176.740 176.300 0.009 0.000 1.171 1130 D CA 0.640 54.685 54.000 0.075 0.000 0.839 1130 D CB 0.093 40.939 40.800 0.077 0.000 0.950 1130 D HN 0.519 nan 8.370 nan 0.000 0.499 1134 S N 0.548 116.379 115.700 0.218 0.000 2.537 1134 S HA 0.499 4.969 4.470 0.001 0.000 0.275 1134 S C -0.288 174.421 174.600 0.181 0.000 1.272 1134 S CA -0.159 58.182 58.200 0.235 0.000 1.050 1134 S CB 0.661 64.116 63.200 0.425 0.000 0.961 1134 S HN 0.404 nan 8.310 nan 0.000 0.496 1135 D N 3.981 124.449 120.400 0.114 0.000 2.894 1135 D HA 0.294 4.935 4.640 0.001 0.000 0.273 1135 D C 1.433 177.771 176.300 0.063 0.000 1.328 1135 D CA -0.012 54.038 54.000 0.083 0.000 0.845 1135 D CB 0.628 41.465 40.800 0.062 0.000 1.072 1135 D HN 0.668 nan 8.370 nan 0.000 0.484 1136 A N 0.461 123.318 122.820 0.062 0.000 1.958 1136 A HA -0.145 4.175 4.320 0.001 0.000 0.221 1136 A C 1.071 178.667 177.584 0.021 0.000 1.178 1136 A CA 1.112 53.172 52.037 0.038 0.000 0.642 1136 A CB -0.129 18.886 19.000 0.026 0.000 0.816 1136 A HN 0.412 nan 8.150 nan 0.000 0.453 1137 I N -0.082 120.494 120.570 0.011 0.000 2.560 1137 I HA 0.245 4.416 4.170 0.001 0.000 0.283 1137 I C -2.811 173.323 176.117 0.028 0.000 1.115 1137 I CA -1.873 59.427 61.300 0.001 0.000 1.066 1137 I CB 2.355 40.327 38.000 -0.047 0.000 1.221 1137 I HN -0.027 nan 8.210 nan 0.000 0.450 1138 P HA 0.352 nan 4.420 nan 0.000 0.271 1138 P C -0.759 176.600 177.300 0.098 0.000 1.226 1138 P CA 0.284 63.429 63.100 0.076 0.000 0.765 1138 P CB 1.167 32.904 31.700 0.062 0.000 0.835 1139 I N 1.712 122.375 120.570 0.155 0.000 2.740 1139 I HA 0.200 4.370 4.170 0.001 0.000 0.303 1139 I C 1.562 177.839 176.117 0.267 0.000 1.044 1139 I CA -0.756 60.665 61.300 0.202 0.000 1.064 1139 I CB 1.743 39.899 38.000 0.260 0.000 1.249 1139 I HN 0.260 nan 8.210 nan 0.000 0.433 1140 D N 2.581 123.168 120.400 0.311 0.000 2.178 1140 D HA -0.177 4.463 4.640 0.001 0.000 0.201 1140 D C 0.633 177.238 176.300 0.510 0.000 0.980 1140 D CA 0.967 55.188 54.000 0.370 0.000 0.842 1140 D CB 0.130 41.168 40.800 0.397 0.000 0.948 1140 D HN 0.329 nan 8.370 nan 0.000 0.472 1141 F N 2.414 122.638 119.950 0.457 0.000 2.571 1141 F HA 0.061 4.589 4.527 0.001 0.000 0.384 1141 F C 0.012 176.055 175.800 0.404 0.000 1.058 1141 F CA -0.282 58.059 58.000 0.568 0.000 1.200 1141 F CB 0.341 39.696 39.000 0.591 0.000 1.077 1141 F HN -0.147 nan 8.300 nan 0.000 0.558 1142 D N 8.941 129.159 120.400 -0.303 0.000 2.469 1142 D HA 0.184 4.824 4.640 0.001 0.000 0.251 1142 D C -2.174 173.651 176.300 -0.791 0.000 1.173 1142 D CA -1.859 51.861 54.000 -0.468 0.000 0.882 1142 D CB 1.897 42.627 40.800 -0.117 0.000 1.129 1142 D HN 0.288 nan 8.370 nan 0.000 0.549 1143 P HA -0.259 nan 4.420 nan 0.000 0.220 1143 P C 0.866 177.816 177.300 -0.582 0.000 1.155 1143 P CA 1.305 63.904 63.100 -0.835 0.000 0.880 1143 P CB -0.171 30.709 31.700 -1.368 0.000 0.790 1144 Y N -0.356 119.680 120.300 -0.441 0.000 2.619 1144 Y HA 0.255 4.805 4.550 0.001 0.000 0.308 1144 Y C 1.710 177.451 175.900 -0.265 0.000 1.192 1144 Y CA 0.062 57.989 58.100 -0.288 0.000 1.319 1144 Y CB -0.778 37.545 38.460 -0.228 0.000 1.030 1144 Y HN 0.022 nan 8.280 nan 0.000 0.517 1145 A N -0.002 122.652 122.820 -0.277 0.000 2.346 1145 A HA 0.644 4.965 4.320 0.001 0.000 0.313 1145 A C -0.454 176.839 177.584 -0.486 0.000 1.140 1145 A CA -1.096 50.766 52.037 -0.292 0.000 0.826 1145 A CB 1.137 20.025 19.000 -0.187 0.000 1.332 1145 A HN 0.158 nan 8.150 nan 0.000 0.457 1146 K N 1.087 121.322 120.400 -0.275 0.000 2.264 1146 K HA 0.550 4.871 4.320 0.001 0.000 0.277 1146 K C -1.482 175.047 176.600 -0.119 0.000 1.067 1146 K CA -0.043 56.121 56.287 -0.205 0.000 0.900 1146 K CB 0.754 33.218 32.500 -0.060 0.000 1.124 1146 K HN 0.543 nan 8.250 nan 0.000 0.469 1147 F N -1.070 118.785 119.950 -0.159 0.000 2.713 1147 F HA 0.521 5.048 4.527 0.001 0.000 0.311 1147 F C -1.283 174.378 175.800 -0.232 0.000 1.141 1147 F CA -1.805 56.003 58.000 -0.319 0.000 0.939 1147 F CB 0.869 39.391 39.000 -0.797 0.000 1.325 1147 F HN 0.193 nan 8.300 nan 0.000 0.453 1148 D N 1.055 121.438 120.400 -0.028 0.000 2.340 1148 D HA 0.542 5.182 4.640 0.001 0.000 0.240 1148 D C -0.875 175.218 176.300 -0.345 0.000 1.001 1148 D CA -0.108 53.815 54.000 -0.128 0.000 0.888 1148 D CB 3.059 43.799 40.800 -0.101 0.000 1.310 1148 D HN 0.348 nan 8.370 nan 0.000 0.474 1149 I N 1.182 121.549 120.570 -0.339 0.000 2.331 1149 I HA 0.072 4.242 4.170 0.001 0.000 0.292 1149 I C 0.492 176.464 176.117 -0.241 0.000 0.998 1149 I CA -0.638 60.425 61.300 -0.394 0.000 1.267 1149 I CB 0.828 38.594 38.000 -0.390 0.000 1.386 1149 I HN 0.336 nan 8.210 nan 0.000 0.476 1150 C N 6.208 125.400 119.300 -0.180 0.000 2.633 1150 C HA 0.336 4.796 4.460 0.001 0.000 0.415 1150 C C 1.622 176.632 174.990 0.033 0.000 1.393 1150 C CA -0.405 58.547 59.018 -0.110 0.000 1.700 1150 C CB -0.907 26.829 27.740 -0.007 0.000 2.541 1150 C HN 0.902 nan 8.230 nan 0.000 0.603 1151 A N 4.155 126.872 122.820 -0.172 0.000 2.291 1151 A HA 0.474 4.794 4.320 0.001 0.000 0.220 1151 A C 1.517 179.365 177.584 0.441 0.000 1.262 1151 A CA 0.995 53.119 52.037 0.144 0.000 0.867 1151 A CB -0.286 18.630 19.000 -0.139 0.000 0.888 1151 A HN 1.391 nan 8.150 nan 0.000 0.487 1152 A N -1.937 121.049 122.820 0.278 0.000 1.933 1152 A HA 0.228 4.548 4.320 0.001 0.000 0.198 1152 A C 1.917 179.291 177.584 -0.351 0.000 1.617 1152 A CA 1.284 53.343 52.037 0.038 0.000 1.039 1152 A CB -0.135 18.962 19.000 0.161 0.000 1.066 1152 A HN 0.324 nan 8.150 nan 0.000 0.484 1153 T N -2.303 112.124 114.554 -0.212 0.000 2.988 1153 T HA 0.187 4.537 4.350 0.001 0.000 0.240 1153 T C 0.272 174.851 174.700 -0.202 0.000 1.014 1153 T CA 1.098 63.070 62.100 -0.214 0.000 1.155 1153 T CB -0.398 68.453 68.868 -0.028 0.000 0.872 1153 T HN 0.571 nan 8.240 nan 0.000 0.440 1154 Y N 1.067 121.372 120.300 0.009 0.000 3.941 1154 Y HA -0.149 4.402 4.550 0.001 0.000 0.240 1154 Y C -0.195 175.699 175.900 -0.009 0.000 1.406 1154 Y CA -0.582 57.515 58.100 -0.005 0.000 1.974 1154 Y CB -1.484 37.030 38.460 0.092 0.000 1.618 1154 Y HN 0.123 nan 8.280 nan 0.000 0.683 1155 K N 1.551 121.971 120.400 0.034 0.000 2.259 1155 K HA 0.526 4.847 4.320 0.001 0.000 0.249 1155 K C -2.520 173.928 176.600 -0.254 0.000 0.942 1155 K CA -1.767 54.506 56.287 -0.023 0.000 0.816 1155 K CB 2.325 34.858 32.500 0.054 0.000 1.155 1155 K HN -0.106 nan 8.250 nan 0.000 0.428 1156 P HA 0.367 nan 4.420 nan 0.000 0.281 1156 P C -0.459 176.639 177.300 -0.338 0.000 1.249 1156 P CA -0.397 62.316 63.100 -0.645 0.000 0.810 1156 P CB 0.896 31.917 31.700 -1.132 0.000 1.008 1157 I N 2.396 122.743 120.570 -0.372 0.000 2.390 1157 I HA 0.258 4.428 4.170 0.001 0.000 0.283 1157 I C 0.054 176.111 176.117 -0.099 0.000 1.016 1157 I CA -0.834 60.398 61.300 -0.113 0.000 1.151 1157 I CB 0.403 38.355 38.000 -0.080 0.000 1.293 1157 I HN 0.250 nan 8.210 nan 0.000 0.458 1158 Y N 3.723 124.087 120.300 0.106 0.000 2.334 1158 Y HA 0.159 4.709 4.550 0.001 0.000 0.325 1158 Y C 1.658 177.603 175.900 0.075 0.000 1.308 1158 Y CA -0.585 57.593 58.100 0.132 0.000 1.389 1158 Y CB 0.550 39.083 38.460 0.122 0.000 1.328 1158 Y HN 0.477 nan 8.280 nan 0.000 0.532 1159 E N 0.015 120.345 120.200 0.216 0.000 2.267 1159 E HA -0.211 4.140 4.350 0.001 0.000 0.197 1159 E C 0.830 177.496 176.600 0.109 0.000 0.998 1159 E CA 1.186 57.660 56.400 0.122 0.000 0.830 1159 E CB 0.055 29.808 29.700 0.088 0.000 0.751 1159 E HN 0.674 nan 8.360 nan 0.000 0.491 1160 D N 0.660 121.142 120.400 0.137 0.000 2.183 1160 D HA -0.040 4.600 4.640 0.001 0.000 0.203 1160 D C 0.393 176.747 176.300 0.091 0.000 0.969 1160 D CA 0.602 54.657 54.000 0.090 0.000 0.842 1160 D CB 0.126 40.965 40.800 0.064 0.000 0.957 1160 D HN 0.048 nan 8.370 nan 0.000 0.484 1161 T N 3.321 117.955 114.554 0.133 0.000 2.928 1161 T HA 0.143 4.493 4.350 0.001 0.000 0.305 1161 T C -2.132 172.615 174.700 0.079 0.000 1.035 1161 T CA -0.866 61.303 62.100 0.114 0.000 1.145 1161 T CB 1.356 70.314 68.868 0.150 0.000 0.963 1161 T HN 0.080 nan 8.240 nan 0.000 0.545 1162 P HA 0.264 nan 4.420 nan 0.000 0.287 1162 P C -0.722 176.613 177.300 0.058 0.000 1.307 1162 P CA -0.467 62.665 63.100 0.054 0.000 0.777 1162 P CB 0.648 32.376 31.700 0.046 0.000 0.883 1163 S N 2.434 118.167 115.700 0.055 0.000 2.677 1163 S HA 0.803 5.273 4.470 0.001 0.000 0.304 1163 S C -0.301 174.341 174.600 0.070 0.000 1.108 1163 S CA -0.781 57.456 58.200 0.062 0.000 0.944 1163 S CB 1.553 64.779 63.200 0.043 0.000 1.127 1163 S HN 0.263 nan 8.310 nan 0.000 0.511 1164 V N -0.226 119.750 119.914 0.103 0.000 2.686 1164 V HA 0.694 4.815 4.120 0.001 0.000 0.306 1164 V C -0.138 176.057 176.094 0.168 0.000 1.065 1164 V CA -0.680 61.690 62.300 0.117 0.000 0.894 1164 V CB 1.019 32.912 31.823 0.118 0.000 1.004 1164 V HN 0.919 nan 8.190 nan 0.000 0.424 1165 S N 1.936 117.709 115.700 0.122 0.000 2.738 1165 S HA 0.633 5.104 4.470 0.001 0.000 0.284 1165 S C -0.681 174.014 174.600 0.157 0.000 1.146 1165 S CA -0.426 57.849 58.200 0.126 0.000 0.997 1165 S CB 1.557 64.796 63.200 0.065 0.000 1.081 1165 S HN 1.089 nan 8.310 nan 0.000 0.553 1166 D N 0.331 120.824 120.400 0.155 0.000 2.425 1166 D HA 0.388 5.028 4.640 0.001 0.000 0.240 1166 D C -1.631 174.723 176.300 0.091 0.000 1.080 1166 D CA -2.171 51.913 54.000 0.140 0.000 0.836 1166 D CB 1.421 42.341 40.800 0.200 0.000 1.125 1166 D HN 0.035 nan 8.370 nan 0.000 0.525 1167 P HA -0.217 nan 4.420 nan 0.000 0.218 1167 P C 1.109 178.448 177.300 0.065 0.000 1.147 1167 P CA 0.682 63.820 63.100 0.062 0.000 0.827 1167 P CB 0.469 32.201 31.700 0.053 0.000 0.778 1168 L N -0.753 120.508 121.223 0.064 0.000 2.194 1168 L HA 0.096 4.437 4.340 0.001 0.000 0.197 1168 L C 2.429 179.328 176.870 0.048 0.000 1.106 1168 L CA 2.172 57.043 54.840 0.052 0.000 0.785 1168 L CB -1.429 40.659 42.059 0.048 0.000 0.960 1168 L HN -0.185 nan 8.230 nan 0.000 0.465 1169 T N -0.285 114.300 114.554 0.051 0.000 2.737 1169 T HA 0.105 4.455 4.350 0.001 0.000 0.265 1169 T C 1.308 176.031 174.700 0.038 0.000 1.038 1169 T CA 1.557 63.681 62.100 0.039 0.000 1.144 1169 T CB -0.621 68.280 68.868 0.055 0.000 0.866 1169 T HN 0.705 nan 8.240 nan 0.000 0.434 1170 G N 1.111 109.941 108.800 0.050 0.000 2.179 1170 G HA2 -0.241 3.719 3.960 0.001 0.000 0.220 1170 G HA3 -0.241 3.719 3.960 0.001 0.000 0.220 1170 G C 0.285 175.179 174.900 -0.011 0.000 0.990 1170 G CA 0.086 45.202 45.100 0.027 0.000 0.646 1170 G HN 0.685 nan 8.290 nan 0.000 0.517 1171 S N 0.546 116.239 115.700 -0.013 0.000 2.568 1171 S HA 0.495 4.965 4.470 0.001 0.000 0.282 1171 S C 0.214 174.660 174.600 -0.257 0.000 1.338 1171 S CA 0.122 58.229 58.200 -0.156 0.000 1.045 1171 S CB 1.580 64.703 63.200 -0.129 0.000 0.873 1171 S HN 0.518 nan 8.310 nan 0.000 0.516 1172 K N 1.280 121.416 120.400 -0.441 0.000 2.207 1172 K HA 0.591 4.912 4.320 0.001 0.000 0.255 1172 K C -1.378 174.856 176.600 -0.610 0.000 0.941 1172 K CA -0.505 55.586 56.287 -0.327 0.000 0.825 1172 K CB 1.297 33.703 32.500 -0.158 0.000 1.119 1172 K HN 0.605 nan 8.250 nan 0.000 0.430 1173 Y N -0.804 119.499 120.300 0.005 0.000 2.669 1173 Y HA 0.313 4.864 4.550 0.001 0.000 0.335 1173 Y C -0.002 175.900 175.900 0.004 0.000 1.116 1173 Y CA -1.455 56.647 58.100 0.003 0.000 1.081 1173 Y CB 0.739 39.201 38.460 0.003 0.000 1.297 1173 Y HN 0.291 nan 8.280 nan 0.000 0.484 1174 V N 0.534 120.566 119.914 0.197 0.000 2.811 1174 V HA 0.086 4.206 4.120 0.001 0.000 0.302 1174 V C 1.058 177.212 176.094 0.100 0.000 1.063 1174 V CA -0.566 61.801 62.300 0.111 0.000 1.088 1174 V CB 0.337 32.210 31.823 0.083 0.000 0.982 1174 V HN 0.775 nan 8.190 nan 0.000 0.485 1175 I N 2.734 123.346 120.570 0.071 0.000 2.399 1175 I HA -0.210 3.960 4.170 0.001 0.000 0.254 1175 I C 2.487 178.625 176.117 0.034 0.000 1.146 1175 I CA 1.877 63.209 61.300 0.052 0.000 1.412 1175 I CB -1.880 36.145 38.000 0.042 0.000 1.076 1175 I HN 0.948 nan 8.210 nan 0.000 0.432 1176 T N 0.968 115.543 114.554 0.034 0.000 2.592 1176 T HA -0.229 4.121 4.350 0.001 0.000 0.267 1176 T C 0.997 175.694 174.700 -0.005 0.000 1.060 1176 T CA 1.403 63.512 62.100 0.015 0.000 1.167 1176 T CB -0.287 68.591 68.868 0.017 0.000 0.863 1176 T HN 0.462 nan 8.240 nan 0.000 0.431 1177 E N 1.903 122.095 120.200 -0.013 0.000 2.201 1177 E HA 0.227 4.577 4.350 0.001 0.000 0.272 1177 E C -0.163 176.382 176.600 -0.092 0.000 1.228 1177 E CA -0.212 56.143 56.400 -0.074 0.000 1.305 1177 E CB 0.443 30.058 29.700 -0.142 0.000 1.381 1177 E HN 0.362 nan 8.360 nan 0.000 0.475 1178 K N 1.047 121.420 120.400 -0.046 0.000 2.106 1178 K HA 0.076 4.396 4.320 0.001 0.000 0.246 1178 K C -0.029 176.542 176.600 -0.048 0.000 0.987 1178 K CA -0.348 55.918 56.287 -0.035 0.000 0.904 1178 K CB 0.800 33.298 32.500 -0.004 0.000 1.071 1178 K HN -0.017 nan 8.250 nan 0.000 0.453 1179 D N 0.691 121.067 120.400 -0.040 0.000 2.882 1179 D HA -0.183 4.457 4.640 0.001 0.000 0.229 1179 D C -0.888 175.381 176.300 -0.052 0.000 1.167 1179 D CA 1.275 55.253 54.000 -0.036 0.000 0.759 1179 D CB -0.545 40.242 40.800 -0.021 0.000 1.088 1179 D HN 0.519 nan 8.370 nan 0.000 0.425 1180 K N -0.508 119.840 120.400 -0.088 0.000 2.258 1180 K HA 0.586 4.906 4.320 0.001 0.000 0.236 1180 K C 0.333 176.866 176.600 -0.112 0.000 1.008 1180 K CA -1.134 55.093 56.287 -0.100 0.000 0.869 1180 K CB 1.058 33.478 32.500 -0.133 0.000 1.171 1180 K HN -0.146 nan 8.250 nan 0.000 0.447 1181 I N 0.613 121.130 120.570 -0.089 0.000 2.496 1181 I HA -0.007 4.163 4.170 0.001 0.000 0.285 1181 I C 0.497 176.556 176.117 -0.098 0.000 1.080 1181 I CA -0.445 60.817 61.300 -0.062 0.000 1.404 1181 I CB -0.152 37.832 38.000 -0.027 0.000 1.403 1181 I HN 0.463 nan 8.210 nan 0.000 0.539 1182 D N 6.297 126.664 120.400 -0.055 0.000 2.414 1182 D HA 0.011 4.652 4.640 0.001 0.000 0.242 1182 D C 0.375 176.719 176.300 0.073 0.000 1.129 1182 D CA -0.509 53.480 54.000 -0.018 0.000 0.885 1182 D CB 1.059 41.938 40.800 0.131 0.000 1.198 1182 D HN 0.412 nan 8.370 nan 0.000 0.437 1183 R N 2.311 122.902 120.500 0.153 0.000 2.323 1183 R HA 0.079 4.420 4.340 0.001 0.000 0.198 1183 R C 1.384 177.786 176.300 0.171 0.000 0.988 1183 R CA -0.127 56.071 56.100 0.163 0.000 1.041 1183 R CB -0.520 29.906 30.300 0.210 0.000 0.926 1183 R HN 0.588 nan 8.270 nan 0.000 0.476 1184 I N 0.042 120.717 120.570 0.175 0.000 2.272 1184 I HA 0.052 4.223 4.170 0.001 0.000 0.235 1184 I C 1.168 177.335 176.117 0.083 0.000 1.071 1184 I CA 0.765 62.136 61.300 0.118 0.000 1.374 1184 I CB -0.848 37.207 38.000 0.091 0.000 1.121 1184 I HN 0.009 nan 8.210 nan 0.000 0.420 1188 S N 2.346 118.087 115.700 0.067 0.000 2.690 1188 S HA 0.545 5.016 4.470 0.001 0.000 0.291 1188 S C -0.253 174.362 174.600 0.026 0.000 1.138 1188 S CA -0.496 57.732 58.200 0.047 0.000 1.013 1188 S CB 2.701 65.934 63.200 0.055 0.000 1.053 1188 S HN 0.228 nan 8.310 nan 0.000 0.539 1189 K N 1.391 121.801 120.400 0.017 0.000 2.276 1189 K HA 0.353 4.673 4.320 0.001 0.000 0.285 1189 K C -0.508 176.091 176.600 -0.002 0.000 1.062 1189 K CA -0.549 55.736 56.287 -0.003 0.000 0.918 1189 K CB 0.139 32.639 32.500 -0.001 0.000 1.055 1189 K HN 0.660 nan 8.250 nan 0.000 0.477 1190 I N 4.463 125.011 120.570 -0.036 0.000 2.618 1190 I HA -0.018 4.152 4.170 0.001 0.000 0.284 1190 I C 1.409 177.524 176.117 -0.003 0.000 1.146 1190 I CA 1.066 62.349 61.300 -0.028 0.000 1.425 1190 I CB 0.546 38.450 38.000 -0.160 0.000 1.383 1190 I HN 1.128 nan 8.210 nan 0.000 0.562 1191 G N 4.314 113.134 108.800 0.033 0.000 2.729 1191 G HA2 -0.273 3.687 3.960 0.001 0.000 0.216 1191 G HA3 -0.273 3.687 3.960 0.001 0.000 0.216 1191 G C 0.610 175.526 174.900 0.026 0.000 1.252 1191 G CA -0.052 45.066 45.100 0.030 0.000 0.751 1191 G HN 1.039 nan 8.290 nan 0.000 0.527 1192 A N 2.826 125.657 122.820 0.019 0.000 2.639 1192 A HA 0.447 4.767 4.320 0.001 0.000 0.229 1192 A C -1.102 176.498 177.584 0.026 0.000 1.062 1192 A CA 1.149 53.197 52.037 0.019 0.000 0.761 1192 A CB -0.245 18.766 19.000 0.018 0.000 0.988 1192 A HN 0.720 nan 8.150 nan 0.000 0.510 1193 P HA 0.571 nan 4.420 nan 0.000 0.298 1193 P C -0.917 176.400 177.300 0.028 0.000 1.314 1193 P CA -0.154 62.961 63.100 0.026 0.000 0.854 1193 P CB 1.809 33.522 31.700 0.022 0.000 1.019 1194 A N 1.915 124.753 122.820 0.031 0.000 2.374 1194 A HA 0.497 4.817 4.320 0.001 0.000 0.317 1194 A C 1.172 178.775 177.584 0.030 0.000 1.094 1194 A CA -0.307 51.750 52.037 0.033 0.000 0.765 1194 A CB 1.022 20.046 19.000 0.039 0.000 1.268 1194 A HN 0.521 nan 8.150 nan 0.000 0.438 1195 S N 0.880 116.598 115.700 0.030 0.000 2.489 1195 S HA 0.430 4.901 4.470 0.001 0.000 0.228 1195 S C 0.914 175.532 174.600 0.030 0.000 0.995 1195 S CA 0.742 58.958 58.200 0.027 0.000 0.934 1195 S CB -0.448 62.767 63.200 0.026 0.000 0.771 1195 S HN 2.677 nan 8.310 nan 0.000 0.522 1196 G N 0.568 109.391 108.800 0.039 0.000 2.764 1196 G HA2 0.155 4.115 3.960 0.001 0.000 0.678 1196 G HA3 0.155 4.115 3.960 0.001 0.000 0.678 1196 G C -0.994 173.941 174.900 0.060 0.000 1.341 1196 G CA -0.604 44.527 45.100 0.051 0.000 0.836 1196 G HN 0.806 nan 8.290 nan 0.000 0.632 1197 L N 2.430 123.703 121.223 0.085 0.000 2.597 1197 L HA 0.498 4.838 4.340 0.001 0.000 0.271 1197 L C 0.974 177.878 176.870 0.056 0.000 1.157 1197 L CA 0.193 55.070 54.840 0.063 0.000 0.928 1197 L CB -0.142 41.949 42.059 0.054 0.000 1.216 1197 L HN 0.522 nan 8.230 nan 0.000 0.481 1198 R N 5.936 126.453 120.500 0.027 0.000 2.297 1198 R HA 0.459 4.800 4.340 0.001 0.000 0.308 1198 R C 0.207 176.503 176.300 -0.006 0.000 1.029 1198 R CA -0.242 55.870 56.100 0.020 0.000 0.929 1198 R CB 1.182 31.492 30.300 0.016 0.000 1.046 1198 R HN 0.820 nan 8.270 nan 0.000 0.461 1199 I N 0.413 120.980 120.570 -0.005 0.000 5.183 1199 I HA 0.064 4.234 4.170 0.001 0.000 0.343 1199 I C 0.572 176.677 176.117 -0.019 0.000 1.230 1199 I CA -0.246 61.036 61.300 -0.030 0.000 1.473 1199 I CB 0.507 38.475 38.000 -0.052 0.000 1.569 1199 I HN 0.373 nan 8.210 nan 0.000 0.544 1200 R N 2.565 123.066 120.500 0.002 0.000 2.438 1200 R HA 0.378 4.718 4.340 0.001 0.000 0.287 1200 R C -0.059 176.243 176.300 0.004 0.000 1.077 1200 R CA -0.160 55.944 56.100 0.006 0.000 1.034 1200 R CB 0.985 31.295 30.300 0.017 0.000 0.993 1200 R HN -0.132 nan 8.270 nan 0.000 0.459 1201 V N 0.000 119.917 119.914 0.006 0.000 2.409 1201 V HA 0.000 4.120 4.120 0.001 0.000 0.244 1201 V CA 0.000 62.305 62.300 0.008 0.000 1.235 1201 V CB 0.000 31.836 31.823 0.022 0.000 1.184 1201 V HN 0.000 nan 8.190 nan 0.000 0.556