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_A 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 0.000 176.090 176.600 -0.850 0.000 1.382 900 E CA 0.000 56.029 56.400 -0.619 0.000 0.976 900 E CB 0.000 29.093 29.700 -1.012 0.000 0.812 901 T N 0.483 114.395 114.554 -1.070 0.000 2.771 901 T HA -0.333 4.018 4.350 0.001 0.000 0.262 901 T C 1.609 176.027 174.700 -0.470 0.000 1.027 901 T CA 2.981 64.503 62.100 -0.964 0.000 1.159 901 T CB -0.650 67.927 68.868 -0.486 0.000 0.844 901 T HN 0.446 nan 8.240 nan 0.000 0.478 902 A N 0.623 123.265 122.820 -0.297 0.000 1.858 902 A HA -0.030 4.291 4.320 0.001 0.000 0.216 902 A C 2.215 179.771 177.584 -0.046 0.000 1.190 902 A CA 1.687 53.653 52.037 -0.117 0.000 0.617 902 A CB -0.788 18.154 19.000 -0.095 0.000 0.827 902 A HN 0.616 nan 8.150 nan 0.000 0.443 903 I N -1.640 118.883 120.570 -0.079 0.000 2.300 903 I HA -0.340 3.831 4.170 0.001 0.000 0.252 903 I C 2.409 178.648 176.117 0.204 0.000 1.119 903 I CA 1.172 62.497 61.300 0.041 0.000 1.384 903 I CB -0.369 37.651 38.000 0.034 0.000 1.062 903 I HN 0.508 nan 8.210 nan 0.000 0.426 904 W N 0.973 122.254 121.300 -0.033 0.000 2.381 904 W HA -0.084 4.577 4.660 0.001 0.000 0.323 904 W C 2.524 179.046 176.519 0.005 0.000 1.194 904 W CA 0.548 57.888 57.345 -0.009 0.000 1.296 904 W CB -1.403 28.051 29.460 -0.010 0.000 1.175 904 W HN -0.004 nan 8.180 nan 0.000 0.465 905 I N 0.640 121.378 120.570 0.279 0.000 2.185 905 I HA -0.398 3.773 4.170 0.001 0.000 0.246 905 I C 2.505 178.688 176.117 0.111 0.000 1.088 905 I CA 2.045 63.444 61.300 0.164 0.000 1.347 905 I CB -0.716 37.357 38.000 0.122 0.000 1.041 905 I HN 0.045 nan 8.210 nan 0.000 0.415 906 K N 0.996 121.453 120.400 0.095 0.000 2.057 906 K HA -0.199 4.121 4.320 0.001 0.000 0.207 906 K C 1.868 178.508 176.600 0.067 0.000 1.049 906 K CA 1.523 57.849 56.287 0.065 0.000 0.931 906 K CB -0.095 32.433 32.500 0.047 0.000 0.714 906 K HN 0.343 nan 8.250 nan 0.000 0.440 907 N N -0.023 118.731 118.700 0.091 0.000 2.354 907 N HA -0.064 4.677 4.740 0.001 0.000 0.179 907 N C -0.120 175.424 175.510 0.057 0.000 1.021 907 N CA 0.547 53.640 53.050 0.073 0.000 0.887 907 N CB 0.466 39.007 38.487 0.090 0.000 0.974 907 N HN 0.056 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 4.818 4.470 0.001 0.000 0.274 908 S C -0.820 173.814 174.600 0.056 0.000 1.160 908 S CA -0.576 57.652 58.200 0.045 0.000 0.933 908 S CB 1.349 64.562 63.200 0.022 0.000 1.100 908 S HN -0.136 nan 8.310 nan 0.000 0.468 909 K N 2.920 123.347 120.400 0.044 0.000 2.675 909 K HA 0.378 4.698 4.320 0.001 0.000 0.213 909 K C -0.022 176.601 176.600 0.038 0.000 1.074 909 K CA -0.161 56.156 56.287 0.050 0.000 1.172 909 K CB -0.270 32.257 32.500 0.046 0.000 0.927 909 K HN 0.619 nan 8.250 nan 0.000 0.471 910 L N -3.892 117.345 121.223 0.023 0.000 2.360 910 L HA 0.607 4.947 4.340 0.001 0.000 0.271 910 L C -1.860 175.004 176.870 -0.009 0.000 1.057 910 L CA -1.865 52.978 54.840 0.005 0.000 0.803 910 L CB 0.805 42.858 42.059 -0.010 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 1.543 178.773 177.300 -0.118 0.000 1.099 911 P CA 3.024 66.086 63.100 -0.063 0.000 0.976 911 P CB -0.118 31.537 31.700 -0.074 0.000 0.774 912 A N -1.070 121.670 122.820 -0.133 0.000 1.863 912 A HA -0.295 4.026 4.320 0.001 0.000 0.218 912 A C 2.363 179.884 177.584 -0.104 0.000 1.233 912 A CA 3.267 55.209 52.037 -0.158 0.000 0.655 912 A CB -1.927 16.983 19.000 -0.150 0.000 0.839 912 A HN 0.103 nan 8.150 nan 0.000 0.454 913 V N 0.220 120.090 119.914 -0.073 0.000 2.380 913 V HA -0.302 3.818 4.120 0.001 0.000 0.251 913 V C 2.556 178.720 176.094 0.117 0.000 1.063 913 V CA 2.074 64.365 62.300 -0.015 0.000 1.055 913 V CB -0.930 30.888 31.823 -0.008 0.000 0.657 913 V HN 0.540 nan 8.190 nan 0.000 0.455 914 L N -0.467 120.810 121.223 0.090 0.000 1.976 914 L HA -0.147 4.193 4.340 0.001 0.000 0.209 914 L C 2.545 179.553 176.870 0.231 0.000 1.071 914 L CA 1.467 56.403 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 0.209 nan 8.230 nan 0.000 0.432 915 V N 0.460 120.428 119.914 0.090 0.000 2.250 915 V HA -0.370 3.750 4.120 0.001 0.000 0.250 915 V C 2.823 179.172 176.094 0.424 0.000 1.060 915 V CA 2.041 64.401 62.300 0.100 0.000 1.030 915 V CB -1.239 30.299 31.823 -0.475 0.000 0.643 915 V HN 0.525 nan 8.190 nan 0.000 0.445 916 A N 0.184 123.172 122.820 0.279 0.000 1.892 916 A HA -0.158 4.162 4.320 0.001 0.000 0.218 916 A C 2.297 180.305 177.584 0.706 0.000 1.188 916 A CA 2.315 54.593 52.037 0.401 0.000 0.631 916 A CB -0.891 18.174 19.000 0.108 0.000 0.822 916 A HN 0.700 nan 8.150 nan 0.000 0.447 917 A N -2.151 121.059 122.820 0.651 0.000 2.239 917 A HA 0.379 4.700 4.320 0.001 0.000 0.209 917 A C 1.858 179.681 177.584 0.398 0.000 1.171 917 A CA 1.333 53.701 52.037 0.551 0.000 0.768 917 A CB -0.994 18.270 19.000 0.440 0.000 0.790 917 A HN 2.017 nan 8.150 nan 0.000 0.478 918 G N -2.442 106.655 108.800 0.494 0.000 2.175 918 G HA2 0.066 4.026 3.960 0.001 0.000 0.244 918 G HA3 0.066 4.026 3.960 0.001 0.000 0.244 918 G C 0.422 175.391 174.900 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 0.484 123.487 122.820 0.305 0.000 2.923 919 A HA 0.709 5.029 4.320 0.001 0.000 0.306 919 A C 1.005 178.879 177.584 0.482 0.000 1.542 919 A CA -0.145 52.055 52.037 0.272 0.000 1.225 919 A CB -0.405 18.719 19.000 0.206 0.000 1.147 919 A HN 0.309 nan 8.150 nan 0.000 0.542 920 F N 0.240 120.282 119.950 0.154 0.000 2.206 920 F HA -0.087 4.441 4.527 0.001 0.000 0.298 920 F C 2.111 178.009 175.800 0.162 0.000 1.090 920 F CA 0.959 59.098 58.000 0.231 0.000 1.323 920 F CB -0.366 38.723 39.000 0.148 0.000 1.028 920 F HN 0.566 nan 8.300 nan 0.000 0.492 921 D N 0.244 120.813 120.400 0.282 0.000 2.097 921 D HA -0.143 4.497 4.640 0.001 0.000 0.195 921 D C 2.312 178.706 176.300 0.158 0.000 0.989 921 D CA 1.341 55.440 54.000 0.166 0.000 0.827 921 D CB 0.006 40.868 40.800 0.104 0.000 0.966 921 D HN 0.176 nan 8.370 nan 0.000 0.456 922 A N 0.976 123.892 122.820 0.161 0.000 1.948 922 A HA -0.136 4.184 4.320 0.001 0.000 0.220 922 A C 2.327 179.996 177.584 0.141 0.000 1.177 922 A CA 2.489 54.605 52.037 0.133 0.000 0.636 922 A CB -0.632 18.445 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 2.208 179.908 177.584 0.193 0.000 1.181 923 A CA 1.477 53.622 52.037 0.180 0.000 0.620 923 A CB -0.855 18.272 19.000 0.212 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 0.219 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 2.289 64.679 62.300 0.149 0.000 1.038 924 V CB -1.005 30.864 31.823 0.078 0.000 0.651 924 V HN 0.619 nan 8.190 nan 0.000 0.450 925 Q N -0.073 119.783 119.800 0.092 0.000 2.014 925 Q HA -0.258 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 2.002 57.846 55.803 0.068 0.000 0.850 925 Q CB -0.551 28.226 28.738 0.065 0.000 0.916 925 Q HN 0.658 nan 8.270 nan 0.000 0.417 926 A N 1.224 124.085 122.820 0.068 0.000 1.917 926 A HA -0.194 4.127 4.320 0.001 0.000 0.219 926 A C 2.073 179.687 177.584 0.051 0.000 1.182 926 A CA 1.460 53.530 52.037 0.055 0.000 0.633 926 A CB -0.809 18.222 19.000 0.052 0.000 0.819 926 A HN 0.332 nan 8.150 nan 0.000 0.448 927 L N -0.604 120.657 121.223 0.063 0.000 2.376 927 L HA -0.065 4.276 4.340 0.001 0.000 0.219 927 L C 2.517 179.419 176.870 0.053 0.000 1.133 927 L CA 0.960 55.836 54.840 0.059 0.000 0.816 927 L CB -0.395 41.713 42.059 0.080 0.000 0.933 927 L HN 0.306 nan 8.230 nan 0.000 0.449 928 S N 0.091 115.820 115.700 0.050 0.000 2.362 928 S HA -0.079 4.391 4.470 0.001 0.000 0.221 928 S C 1.929 176.551 174.600 0.037 0.000 1.032 928 S CA 0.921 59.145 58.200 0.040 0.000 0.973 928 S CB 0.021 63.243 63.200 0.036 0.000 0.849 928 S HN 0.364 nan 8.310 nan 0.000 0.465 929 K N 0.987 121.409 120.400 0.037 0.000 2.211 929 K HA -0.015 4.306 4.320 0.001 0.000 0.203 929 K C 1.974 178.594 176.600 0.034 0.000 1.050 929 K CA 0.980 57.287 56.287 0.033 0.000 0.945 929 K CB -0.042 32.477 32.500 0.033 0.000 0.732 929 K HN 0.442 nan 8.250 nan 0.000 0.451 930 Q N -0.841 118.981 119.800 0.036 0.000 2.350 930 Q HA 0.099 4.439 4.340 0.001 0.000 0.225 930 Q C 0.934 176.958 176.000 0.040 0.000 0.878 930 Q CA 0.297 56.122 55.803 0.037 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 -0.624 119.315 119.914 0.041 0.000 3.509 931 V HA 0.186 4.306 4.120 0.001 0.000 0.286 931 V C 0.477 176.599 176.094 0.046 0.000 1.618 931 V CA 0.381 62.708 62.300 0.045 0.000 1.088 931 V CB 1.253 33.101 31.823 0.042 0.000 0.909 931 V HN 0.391 nan 8.190 nan 0.000 0.429 932 G N 1.825 110.650 108.800 0.042 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 0.104 175.027 174.900 0.040 0.000 1.014 932 G CA 0.644 45.766 45.100 0.038 0.000 1.097 932 G HN 0.492 nan 8.290 nan 0.000 0.512 933 V N -0.565 119.376 119.914 0.045 0.000 2.686 933 V HA 0.414 4.535 4.120 0.001 0.000 0.295 933 V C 1.328 177.442 176.094 0.033 0.000 1.055 933 V CA 0.409 62.737 62.300 0.047 0.000 1.050 933 V CB 1.643 33.502 31.823 0.060 0.000 0.984 933 V HN 0.296 nan 8.190 nan 0.000 0.482 934 V N 2.524 122.452 119.914 0.024 0.000 3.193 934 V HA 0.204 4.324 4.120 0.001 0.000 0.237 934 V C 0.653 176.746 176.094 -0.002 0.000 1.447 934 V CA -0.038 62.268 62.300 0.010 0.000 1.227 934 V CB 0.322 32.150 31.823 0.008 0.000 1.040 934 V HN 0.729 nan 8.190 nan 0.000 0.458 935 K N 1.445 121.845 120.400 -0.000 0.000 2.263 935 K HA 0.430 4.750 4.320 0.001 0.000 0.282 935 K C 0.475 177.054 176.600 -0.036 0.000 1.089 935 K CA -0.234 56.045 56.287 -0.014 0.000 0.907 935 K CB 1.025 33.525 32.500 -0.001 0.000 1.148 935 K HN 0.250 nan 8.250 nan 0.000 0.470 936 L N 3.307 124.492 121.223 -0.063 0.000 2.492 936 L HA -0.052 4.288 4.340 0.001 0.000 0.223 936 L C 1.602 178.390 176.870 -0.136 0.000 1.132 936 L CA 0.554 55.326 54.840 -0.115 0.000 0.850 936 L CB -0.102 41.865 42.059 -0.154 0.000 0.966 936 L HN 0.722 nan 8.230 nan 0.000 0.454 937 E N 1.263 121.405 120.200 -0.096 0.000 2.033 937 E HA -0.204 4.146 4.350 0.001 0.000 0.199 937 E C -0.773 175.769 176.600 -0.097 0.000 1.011 937 E CA 1.328 57.676 56.400 -0.087 0.000 0.815 937 E CB -1.048 28.620 29.700 -0.053 0.000 0.755 937 E HN 0.430 nan 8.360 nan 0.000 0.451 938 P HA -0.037 nan 4.420 nan 0.000 0.252 938 P C 0.459 177.593 177.300 -0.276 0.000 1.265 938 P CA 0.676 63.670 63.100 -0.176 0.000 0.775 938 P CB 0.185 31.769 31.700 -0.194 0.000 1.128 939 L N -0.765 120.356 121.223 -0.170 0.000 2.808 939 L HA 0.279 4.619 4.340 0.001 0.000 0.246 939 L C 2.273 179.196 176.870 0.088 0.000 1.153 939 L CA 0.410 55.239 54.840 -0.020 0.000 0.956 939 L CB -0.257 41.783 42.059 -0.031 0.000 1.270 939 L HN -0.230 nan 8.230 nan 0.000 0.528 940 K N 0.721 121.095 120.400 -0.042 0.000 1.984 940 K HA -0.227 4.093 4.320 0.001 0.000 0.209 940 K C 2.054 178.652 176.600 -0.003 0.000 1.046 940 K CA 1.910 58.148 56.287 -0.080 0.000 0.934 940 K CB -0.013 32.435 32.500 -0.086 0.000 0.717 940 K HN 0.317 nan 8.250 nan 0.000 0.438 941 K N -0.572 119.767 120.400 -0.102 0.000 2.280 941 K HA -0.182 4.138 4.320 0.001 0.000 0.202 941 K C 1.508 177.931 176.600 -0.296 0.000 1.047 941 K CA 1.486 57.641 56.287 -0.221 0.000 0.942 941 K CB -0.270 32.018 32.500 -0.353 0.000 0.739 941 K HN 0.259 nan 8.250 nan 0.000 0.457 942 Y N -0.272 120.084 120.300 0.093 0.000 2.337 942 Y HA -0.018 4.533 4.550 0.001 0.000 0.293 942 Y C 1.742 177.692 175.900 0.085 0.000 1.123 942 Y CA 0.658 58.809 58.100 0.086 0.000 1.201 942 Y CB -0.160 38.340 38.460 0.067 0.000 1.011 942 Y HN -0.055 nan 8.280 nan 0.000 0.545 943 F N 0.024 119.953 119.950 -0.035 0.000 2.128 943 F HA -0.183 4.345 4.527 0.001 0.000 0.295 943 F C 2.397 178.217 175.800 0.034 0.000 1.100 943 F CA 1.595 59.491 58.000 -0.173 0.000 1.260 943 F CB -1.219 37.431 39.000 -0.583 0.000 1.009 943 F HN -0.089 nan 8.300 nan 0.000 0.476 944 T N 0.304 115.023 114.554 0.275 0.000 2.607 944 T HA -0.238 4.113 4.350 0.001 0.000 0.267 944 T C 1.743 176.581 174.700 0.230 0.000 1.049 944 T CA 1.851 64.114 62.100 0.271 0.000 1.162 944 T CB -0.519 68.436 68.868 0.145 0.000 0.863 944 T HN 0.128 nan 8.240 nan 0.000 0.424 945 N N 0.957 119.722 118.700 0.107 0.000 2.166 945 N HA 0.027 4.768 4.740 0.001 0.000 0.186 945 N C 1.864 177.429 175.510 0.092 0.000 1.019 945 N CA 0.809 53.902 53.050 0.072 0.000 0.856 945 N CB -0.495 37.991 38.487 -0.001 0.000 0.993 945 N HN 0.402 nan 8.380 nan 0.000 0.426 946 I N -0.332 120.294 120.570 0.093 0.000 2.133 946 I HA -0.306 3.864 4.170 0.001 0.000 0.238 946 I C 2.111 178.311 176.117 0.139 0.000 1.074 946 I CA 1.054 62.385 61.300 0.051 0.000 1.342 946 I CB -0.361 37.616 38.000 -0.039 0.000 1.053 946 I HN 0.070 nan 8.210 nan 0.000 0.404 947 Y N 2.114 122.508 120.300 0.158 0.000 2.053 947 Y HA -0.326 4.225 4.550 0.001 0.000 0.277 947 Y C 2.527 178.554 175.900 0.211 0.000 1.159 947 Y CA 2.000 60.255 58.100 0.257 0.000 1.125 947 Y CB -0.343 38.347 38.460 0.383 0.000 0.969 947 Y HN 0.198 nan 8.280 nan 0.000 0.492 948 E N -1.024 119.272 120.200 0.159 0.000 2.150 948 E HA -0.107 4.244 4.350 0.001 0.000 0.193 948 E C 2.226 178.838 176.600 0.019 0.000 0.985 948 E CA 0.728 57.165 56.400 0.063 0.000 0.814 948 E CB -0.479 29.327 29.700 0.176 0.000 0.752 948 E HN 0.615 nan 8.360 nan 0.000 0.466 949 G N 1.251 110.084 108.800 0.055 0.000 2.708 949 G HA2 -0.201 3.760 3.960 0.001 0.000 0.210 949 G HA3 -0.201 3.760 3.960 0.001 0.000 0.210 949 G C 1.421 176.386 174.900 0.108 0.000 1.141 949 G CA 0.925 46.071 45.100 0.077 0.000 0.788 949 G HN 0.454 nan 8.290 nan 0.000 0.531 950 C N -1.823 117.509 119.300 0.054 0.000 3.491 950 C HA 0.647 5.108 4.460 0.001 0.000 0.298 950 C C 0.592 175.597 174.990 0.025 0.000 1.424 950 C CA -1.386 57.700 59.018 0.113 0.000 1.772 950 C CB -0.614 27.227 27.740 0.168 0.000 2.447 950 C HN 0.127 nan 8.230 nan 0.000 0.670 951 R N 1.239 121.651 120.500 -0.146 0.000 2.534 951 R HA 0.711 5.051 4.340 0.001 0.000 0.301 951 R C -0.428 175.596 176.300 -0.461 0.000 0.961 951 R CA 0.268 56.129 56.100 -0.399 0.000 0.871 951 R CB 1.854 31.836 30.300 -0.529 0.000 1.170 951 R HN 0.389 nan 8.270 nan 0.000 0.446 952 T N 1.005 115.200 114.554 -0.597 0.000 2.906 952 T HA 0.579 4.929 4.350 0.001 0.000 0.295 952 T C -1.522 172.740 174.700 -0.731 0.000 1.075 952 T CA -0.649 61.154 62.100 -0.495 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 2.386 122.647 120.300 -0.065 0.000 2.364 953 Y HA 0.655 5.205 4.550 0.001 0.000 0.340 953 Y C 0.282 176.158 175.900 -0.041 0.000 0.975 953 Y CA -1.356 56.709 58.100 -0.059 0.000 1.089 953 Y CB 1.327 39.758 38.460 -0.049 0.000 1.192 953 Y HN 0.515 nan 8.280 nan 0.000 0.454 954 I N 6.048 126.671 120.570 0.088 0.000 2.488 954 I HA 0.443 4.614 4.170 0.001 0.000 0.299 954 I C -2.525 173.627 176.117 0.058 0.000 0.984 954 I CA -2.878 58.450 61.300 0.047 0.000 1.250 954 I CB 1.900 39.908 38.000 0.014 0.000 1.389 954 I HN 0.462 nan 8.210 nan 0.000 0.488 955 P HA 0.215 nan 4.420 nan 0.000 0.281 955 P C -1.285 176.028 177.300 0.021 0.000 1.249 955 P CA -0.424 62.693 63.100 0.028 0.000 0.810 955 P CB 0.831 32.542 31.700 0.018 0.000 1.008 956 S N 0.617 116.327 115.700 0.017 0.000 2.466 956 S HA 0.248 4.719 4.470 0.001 0.000 0.313 956 S C 0.915 175.520 174.600 0.008 0.000 1.078 956 S CA -0.356 57.852 58.200 0.013 0.000 1.115 956 S CB -0.354 62.855 63.200 0.015 0.000 1.006 956 S HN 0.559 nan 8.310 nan 0.000 0.487 957 T N 2.888 117.446 114.554 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 1.816 63.919 62.100 0.005 0.000 1.411 957 T CB -2.908 65.962 68.868 0.004 0.000 1.637 957 T HN 0.651 nan 8.240 nan 0.000 0.518 958 P HA 0.272 nan 4.420 nan 0.000 0.264 958 P C 1.033 178.333 177.300 -0.001 0.000 1.537 958 P CA -0.080 63.020 63.100 0.000 0.000 1.189 958 P CB -0.525 31.174 31.700 -0.000 0.000 1.687 959 C N 3.869 123.169 119.300 -0.001 0.000 2.365 959 C HA -0.222 4.238 4.460 0.001 0.000 0.269 959 C C 1.680 176.667 174.990 -0.006 0.000 1.131 959 C CA 2.109 61.126 59.018 -0.002 0.000 1.827 959 C CB -1.405 26.334 27.740 -0.003 0.000 2.131 959 C HN 0.583 nan 8.230 nan 0.000 0.450 960 E N 0.390 120.586 120.200 -0.006 0.000 2.528 960 E HA 0.344 4.695 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 0.248 56.643 56.400 -0.009 0.000 1.571 960 E CB -0.624 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 0.460 121.678 121.223 -0.008 0.000 2.408 961 L HA 0.506 4.847 4.340 0.001 0.000 0.268 961 L C -2.506 174.359 176.870 -0.009 0.000 0.986 961 L CA -2.895 51.941 54.840 -0.007 0.000 0.820 961 L CB 2.001 44.059 42.059 -0.002 0.000 1.303 961 L HN -0.042 nan 8.230 nan 0.000 0.411 962 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 -0.015 63.073 63.100 -0.021 0.000 0.761 962 P CB 0.761 32.450 31.700 -0.018 0.000 0.794 963 A N 4.246 127.056 122.820 -0.016 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 0.080 0.000 1.113 963 A CA 0.057 52.112 52.037 0.030 0.000 0.794 963 A CB -0.176 18.841 19.000 0.029 0.000 1.069 963 A HN 0.650 nan 8.150 nan 0.000 0.506 964 Q N -0.673 119.195 119.800 0.113 0.000 2.312 964 Q HA 0.503 4.844 4.340 0.001 0.000 0.263 964 Q C -1.112 174.951 176.000 0.104 0.000 0.995 964 Q CA -0.899 54.963 55.803 0.097 0.000 0.853 964 Q CB 2.063 30.828 28.738 0.044 0.000 1.300 964 Q HN 0.595 nan 8.270 nan 0.000 0.448 965 L N 1.356 122.605 121.223 0.043 0.000 2.439 965 L HA 0.566 4.906 4.340 0.001 0.000 0.269 965 L C -0.053 176.651 176.870 -0.277 0.000 1.179 965 L CA 0.743 55.465 54.840 -0.196 0.000 0.828 965 L CB 0.909 42.852 42.059 -0.194 0.000 1.106 965 L HN 0.720 nan 8.230 nan 0.000 0.467 966 G N 2.707 111.224 108.800 -0.472 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 -2.003 172.641 174.900 -0.426 0.000 1.424 966 G CA -0.373 44.544 45.100 -0.305 0.000 1.029 966 G HN 0.395 nan 8.290 nan 0.000 0.518 967 Y N 0.482 120.753 120.300 -0.048 0.000 2.361 967 Y HA 0.469 5.020 4.550 0.001 0.000 0.332 967 Y C 0.403 176.350 175.900 0.078 0.000 1.101 967 Y CA -0.736 57.389 58.100 0.041 0.000 1.137 967 Y CB 2.445 40.972 38.460 0.111 0.000 1.207 967 Y HN 0.299 nan 8.280 nan 0.000 0.463 968 V N 5.156 125.211 119.914 0.235 0.000 2.304 968 V HA 0.373 4.493 4.120 0.001 0.000 0.269 968 V C 0.111 176.311 176.094 0.176 0.000 1.036 968 V CA -1.066 61.309 62.300 0.126 0.000 0.840 968 V CB -0.080 31.759 31.823 0.026 0.000 1.036 968 V HN 0.701 nan 8.190 nan 0.000 0.466 969 R N 3.324 123.917 120.500 0.156 0.000 2.582 969 R HA 0.484 4.824 4.340 0.001 0.000 0.271 969 R C 1.096 177.420 176.300 0.040 0.000 1.078 969 R CA 0.006 56.186 56.100 0.133 0.000 1.127 969 R CB 0.949 31.354 30.300 0.176 0.000 1.038 969 R HN 0.702 nan 8.270 nan 0.000 0.500 970 A N 1.905 124.705 122.820 -0.033 0.000 2.238 970 A HA 0.079 4.399 4.320 0.001 0.000 0.208 970 A C -0.413 176.872 177.584 -0.499 0.000 1.177 970 A CA 0.666 52.567 52.037 -0.226 0.000 0.804 970 A CB -0.053 18.727 19.000 -0.367 0.000 0.823 970 A HN 0.639 nan 8.150 nan 0.000 0.482 971 Y N -0.564 119.751 120.300 0.025 0.000 2.581 971 Y HA 0.354 4.904 4.550 0.001 0.000 0.337 971 Y C -0.949 174.962 175.900 0.019 0.000 1.108 971 Y CA -1.827 56.283 58.100 0.018 0.000 1.033 971 Y CB 1.331 39.797 38.460 0.011 0.000 1.318 971 Y HN 0.244 nan 8.280 nan 0.000 0.459 972 D N 1.058 121.575 120.400 0.196 0.000 2.264 972 D HA 0.061 4.701 4.640 0.001 0.000 0.249 972 D C 0.397 176.749 176.300 0.087 0.000 1.070 972 D CA -0.174 53.890 54.000 0.107 0.000 0.912 972 D CB 1.374 42.216 40.800 0.071 0.000 1.193 972 D HN 0.693 nan 8.370 nan 0.000 0.427 973 D N 0.779 121.216 120.400 0.062 0.000 5.591 973 D HA -0.235 4.405 4.640 0.001 0.000 0.357 973 D C 0.168 176.487 176.300 0.032 0.000 1.674 973 D CA 2.083 56.109 54.000 0.043 0.000 1.017 973 D CB -0.472 40.347 40.800 0.031 0.000 0.725 973 D HN 0.504 nan 8.370 nan 0.000 0.843 974 T N 2.190 116.760 114.554 0.027 0.000 3.462 974 T HA 0.340 4.691 4.350 0.001 0.000 0.257 974 T C -0.027 174.665 174.700 -0.012 0.000 1.015 974 T CA -0.196 61.909 62.100 0.009 0.000 1.135 974 T CB 0.284 69.157 68.868 0.008 0.000 1.061 974 T HN -0.040 nan 8.240 nan 0.000 0.772 975 V N 1.261 121.159 119.914 -0.027 0.000 3.098 975 V HA 0.224 4.344 4.120 0.001 0.000 0.294 975 V C 0.084 176.139 176.094 -0.064 0.000 1.351 975 V CA -1.383 60.869 62.300 -0.079 0.000 0.999 975 V CB 2.294 34.032 31.823 -0.141 0.000 1.104 975 V HN 0.619 nan 8.190 nan 0.000 0.438 976 S N 2.219 117.868 115.700 -0.084 0.000 3.225 976 S HA -0.083 4.387 4.470 0.001 0.000 0.378 976 S C 1.099 175.678 174.600 -0.036 0.000 1.190 976 S CA 0.380 58.546 58.200 -0.057 0.000 1.104 976 S CB -0.173 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 1.859 122.050 120.200 -0.015 0.000 2.526 977 E HA -0.155 4.195 4.350 0.001 0.000 0.206 977 E C 0.356 176.962 176.600 0.010 0.000 1.139 977 E CA 0.399 56.801 56.400 0.003 0.000 0.913 977 E CB 0.051 29.755 29.700 0.005 0.000 0.868 977 E HN 0.569 nan 8.360 nan 0.000 0.564 978 D N 0.386 120.786 120.400 -0.000 0.000 2.999 978 D HA -0.112 4.528 4.640 0.001 0.000 0.273 978 D C 0.861 177.169 176.300 0.013 0.000 1.485 978 D CA 0.072 54.077 54.000 0.009 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 1.083 120.869 119.800 -0.023 0.000 1.703 979 Q HA -0.091 4.249 4.340 0.001 0.000 0.088 979 Q C -0.603 175.391 176.000 -0.011 0.000 0.712 979 Q CA 0.222 55.995 55.803 -0.050 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 3.076 123.689 120.570 0.072 0.000 2.330 980 I HA 0.322 4.493 4.170 0.001 0.000 0.289 980 I C -0.576 175.629 176.117 0.145 0.000 1.001 980 I CA -0.513 60.875 61.300 0.148 0.000 1.193 980 I CB 0.875 38.983 38.000 0.179 0.000 1.345 980 I HN 0.319 nan 8.210 nan 0.000 0.461 981 L N 8.111 129.366 121.223 0.053 0.000 2.415 981 L HA 0.590 4.930 4.340 0.001 0.000 0.256 981 L C -2.473 174.050 176.870 -0.577 0.000 1.010 981 L CA -1.887 52.762 54.840 -0.318 0.000 0.826 981 L CB 2.570 44.538 42.059 -0.151 0.000 1.405 981 L HN 0.312 nan 8.230 nan 0.000 0.410 982 P HA -0.042 nan 4.420 nan 0.000 0.271 982 P C -1.438 175.606 177.300 -0.427 0.000 1.233 982 P CA -0.064 62.369 63.100 -1.111 0.000 0.789 982 P CB 0.573 31.230 31.700 -1.737 0.000 0.951 983 Y N 1.519 121.629 120.300 -0.318 0.000 2.301 983 Y HA 0.435 4.985 4.550 0.001 0.000 0.325 983 Y C -0.815 174.965 175.900 -0.199 0.000 1.203 983 Y CA -0.264 57.701 58.100 -0.225 0.000 1.255 983 Y CB 0.794 39.170 38.460 -0.140 0.000 1.232 983 Y HN 0.132 nan 8.280 nan 0.000 0.501 984 V N 7.212 126.489 119.914 -1.061 0.000 2.777 984 V HA 0.244 4.364 4.120 0.001 0.000 0.306 984 V C -1.735 173.854 176.094 -0.842 0.000 1.112 984 V CA -1.569 60.258 62.300 -0.788 0.000 0.917 984 V CB 1.342 32.913 31.823 -0.421 0.000 1.018 984 V HN 0.700 nan 8.190 nan 0.000 0.426 985 P HA -0.221 nan 4.420 nan 0.000 0.221 985 P C 0.761 177.928 177.300 -0.221 0.000 0.967 985 P CA 2.879 65.793 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 -4.249 104.442 108.800 -0.182 0.000 2.699 986 G HA2 -0.148 3.812 3.960 0.001 0.000 0.686 986 G HA3 -0.148 3.812 3.960 0.001 0.000 0.686 986 G C 0.186 175.037 174.900 -0.080 0.000 1.301 986 G CA -0.420 44.605 45.100 -0.125 0.000 0.816 986 G HN 0.224 nan 8.290 nan 0.000 0.595 987 L N 0.526 121.709 121.223 -0.067 0.000 2.187 987 L HA 0.011 4.351 4.340 0.001 0.000 0.213 987 L C 2.551 179.393 176.870 -0.048 0.000 1.100 987 L CA 2.431 57.238 54.840 -0.056 0.000 0.765 987 L CB -0.592 41.437 42.059 -0.049 0.000 0.904 987 L HN 0.836 nan 8.230 nan 0.000 0.437 988 D N -0.548 119.829 120.400 -0.039 0.000 2.248 988 D HA -0.242 4.398 4.640 0.001 0.000 0.189 988 D C 2.073 178.354 176.300 -0.032 0.000 1.011 988 D CA 2.051 56.034 54.000 -0.028 0.000 0.868 988 D CB 0.004 40.796 40.800 -0.013 0.000 0.931 988 D HN 0.115 nan 8.370 nan 0.000 0.449 989 V N -0.595 119.301 119.914 -0.030 0.000 2.302 989 V HA -0.156 3.964 4.120 0.001 0.000 0.243 989 V C 2.655 178.728 176.094 -0.035 0.000 1.036 989 V CA 1.205 63.490 62.300 -0.025 0.000 1.020 989 V CB -0.451 31.365 31.823 -0.011 0.000 0.657 989 V HN 0.157 nan 8.190 nan 0.000 0.453 990 V N 0.968 120.858 119.914 -0.041 0.000 2.311 990 V HA -0.375 3.745 4.120 0.001 0.000 0.256 990 V C 2.395 178.452 176.094 -0.062 0.000 1.077 990 V CA 2.576 64.847 62.300 -0.047 0.000 1.067 990 V CB -1.015 30.773 31.823 -0.058 0.000 0.659 990 V HN 0.562 nan 8.190 nan 0.000 0.451 991 N N -0.050 118.608 118.700 -0.071 0.000 2.028 991 N HA -0.163 4.578 4.740 0.001 0.000 0.194 991 N C 1.865 177.306 175.510 -0.116 0.000 1.050 991 N CA 1.846 54.836 53.050 -0.100 0.000 0.848 991 N CB -0.358 38.079 38.487 -0.084 0.000 1.038 991 N HN 0.601 nan 8.380 nan 0.000 0.423 992 E N 0.348 120.498 120.200 -0.082 0.000 2.113 992 E HA -0.221 4.129 4.350 0.001 0.000 0.210 992 E C 0.661 177.208 176.600 -0.089 0.000 1.040 992 E CA 1.359 57.714 56.400 -0.076 0.000 0.847 992 E CB -0.133 29.541 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 1.284 57.630 56.400 -0.091 0.000 0.810 996 E CB -0.165 29.476 29.700 -0.099 0.000 0.742 996 E HN 0.439 nan 8.360 nan 0.000 0.466 997 G N 0.319 108.981 108.800 -0.229 0.000 2.421 997 G HA2 -0.253 3.707 3.960 0.001 0.000 0.216 997 G HA3 -0.253 3.707 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 0.709 45.487 45.100 -0.536 0.000 0.775 997 G HN 0.202 nan 8.290 nan 0.000 0.543 998 Y N 1.031 121.302 120.300 -0.048 0.000 2.181 998 Y HA -0.038 4.513 4.550 0.001 0.000 0.288 998 Y C 2.655 178.626 175.900 0.120 0.000 1.146 998 Y CA 0.871 58.972 58.100 0.002 0.000 1.164 998 Y CB -0.770 37.674 38.460 -0.027 0.000 0.982 998 Y HN 0.217 nan 8.280 nan 0.000 0.515 999 K N 0.434 120.970 120.400 0.228 0.000 2.001 999 K HA -0.225 4.096 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 1.933 58.310 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 0.267 nan 8.250 nan 0.000 0.443 1000 N N -0.065 118.690 118.700 0.091 0.000 2.289 1000 N HA -0.159 4.582 4.740 0.001 0.000 0.184 1000 N C 1.735 177.318 175.510 0.121 0.000 1.016 1000 N CA 0.995 54.084 53.050 0.064 0.000 0.872 1000 N CB -0.219 38.262 38.487 -0.010 0.000 0.973 1000 N HN 0.192 nan 8.380 nan 0.000 0.433 1001 F N 2.770 122.765 119.950 0.076 0.000 2.075 1001 F HA -0.143 4.384 4.527 0.001 0.000 0.297 1001 F C 2.244 178.128 175.800 0.140 0.000 1.113 1001 F CA 1.419 59.493 58.000 0.124 0.000 1.218 1001 F CB 0.010 39.072 39.000 0.103 0.000 0.984 1001 F HN -0.156 nan 8.300 nan 0.000 0.472 1002 K N 0.400 121.021 120.400 0.367 0.000 2.063 1002 K HA -0.154 4.166 4.320 0.001 0.000 0.208 1002 K C 1.982 178.642 176.600 0.100 0.000 1.048 1002 K CA 1.466 57.906 56.287 0.255 0.000 0.928 1002 K CB -0.918 31.735 32.500 0.254 0.000 0.713 1002 K HN 0.377 nan 8.250 nan 0.000 0.442 1003 L N 1.122 122.391 121.223 0.075 0.000 2.622 1003 L HA -0.050 4.291 4.340 0.001 0.000 0.233 1003 L C 0.377 177.238 176.870 -0.014 0.000 1.156 1003 L CA 0.035 54.893 54.840 0.029 0.000 0.866 1003 L CB -0.901 41.177 42.059 0.031 0.000 0.980 1003 L HN 0.324 nan 8.230 nan 0.000 0.448 1004 N N 1.225 119.887 118.700 -0.063 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 53.850 53.050 -0.112 0.000 0.707 1004 N CB -0.890 37.553 38.487 -0.074 0.000 1.043 1004 N HN 0.327 nan 8.380 nan 0.000 0.553 1005 K N 0.238 120.599 120.400 -0.065 0.000 2.459 1005 K HA 0.196 4.516 4.320 0.001 0.000 0.218 1005 K C -1.526 175.049 176.600 -0.042 0.000 1.067 1005 K CA -1.599 54.663 56.287 -0.043 0.000 1.045 1005 K CB 1.234 33.720 32.500 -0.023 0.000 1.623 1005 K HN 0.214 nan 8.250 nan 0.000 0.509 1006 P HA -0.270 nan 4.420 nan 0.000 0.214 1006 P C 0.426 177.732 177.300 0.009 0.000 1.172 1006 P CA 1.535 64.614 63.100 -0.036 0.000 0.925 1006 P CB 0.311 31.971 31.700 -0.066 0.000 0.793 1007 D N 0.001 120.400 120.400 -0.002 0.000 2.127 1007 D HA -0.175 4.466 4.640 0.001 0.000 0.190 1007 D C 2.130 178.434 176.300 0.007 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 1.573 122.137 120.570 -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 -0.083 0.000 1.100 1008 I CA 1.033 62.313 61.300 -0.033 0.000 1.374 1008 I CB -0.691 37.290 38.000 -0.033 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 -0.228 4.093 4.320 0.001 0.000 0.218 1009 A C 2.400 179.806 177.584 -0.297 0.000 1.193 1009 A CA 2.055 53.979 52.037 -0.187 0.000 0.629 1009 A CB -1.078 17.974 19.000 0.087 0.000 0.826 1009 A HN 0.405 nan 8.150 nan 0.000 0.447 1010 I N -0.948 119.641 120.570 0.032 0.000 2.091 1010 I HA -0.295 3.875 4.170 0.001 0.000 0.239 1010 I C 2.578 178.723 176.117 0.046 0.000 1.061 1010 I CA 1.950 63.345 61.300 0.158 0.000 1.317 1010 I CB -0.512 37.576 38.000 0.146 0.000 1.031 1010 I HN 0.324 nan 8.210 nan 0.000 0.401 1011 E N 0.574 120.777 120.200 0.006 0.000 2.147 1011 E HA -0.235 4.115 4.350 0.001 0.000 0.199 1011 E C 2.171 178.755 176.600 -0.027 0.000 1.005 1011 E CA 1.534 57.946 56.400 0.020 0.000 0.810 1011 E CB -0.372 29.339 29.700 0.019 0.000 0.736 1011 E HN 0.506 nan 8.360 nan 0.000 0.460 1012 C N -0.836 118.361 119.300 -0.171 0.000 2.491 1012 C HA -0.097 4.364 4.460 0.001 0.000 0.283 1012 C C 2.346 177.249 174.990 -0.145 0.000 1.238 1012 C CA 0.848 59.722 59.018 -0.240 0.000 1.735 1012 C CB -1.464 25.970 27.740 -0.510 0.000 2.080 1012 C HN 0.489 nan 8.230 nan 0.000 0.463 1013 F N 1.045 120.980 119.950 -0.026 0.000 2.111 1013 F HA -0.300 4.227 4.527 0.001 0.000 0.300 1013 F C 2.730 178.436 175.800 -0.155 0.000 1.088 1013 F CA 1.681 59.639 58.000 -0.069 0.000 1.243 1013 F CB -0.571 38.416 39.000 -0.023 0.000 0.996 1013 F HN 0.281 nan 8.300 nan 0.000 0.483 1014 R N 0.200 120.698 120.500 -0.005 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 -0.492 0.000 1.137 1014 R CA 1.812 57.705 56.100 -0.345 0.000 0.951 1014 R CB -0.675 29.509 30.300 -0.194 0.000 0.851 1014 R HN 0.379 nan 8.270 nan 0.000 0.434 1015 E N 0.840 120.983 120.200 -0.095 0.000 2.160 1015 E HA -0.215 4.135 4.350 0.001 0.000 0.195 1015 E C 1.869 178.422 176.600 -0.079 0.000 0.991 1015 E CA 1.322 57.752 56.400 0.050 0.000 0.810 1015 E CB -0.020 29.788 29.700 0.179 0.000 0.742 1015 E HN 0.389 nan 8.360 nan 0.000 0.466 1016 A N 0.986 123.758 122.820 -0.079 0.000 1.873 1016 A HA -0.117 4.204 4.320 0.001 0.000 0.215 1016 A C 2.202 179.700 177.584 -0.143 0.000 1.186 1016 A CA 1.306 53.303 52.037 -0.067 0.000 0.616 1016 A CB -0.585 18.419 19.000 0.006 0.000 0.823 1016 A HN 0.347 nan 8.150 nan 0.000 0.442 1017 I N -1.522 118.910 120.570 -0.230 0.000 2.127 1017 I HA -0.342 3.829 4.170 0.001 0.000 0.241 1017 I C 2.501 178.459 176.117 -0.266 0.000 1.075 1017 I CA 1.852 62.990 61.300 -0.271 0.000 1.334 1017 I CB -0.703 37.083 38.000 -0.357 0.000 1.040 1017 I HN 0.469 nan 8.210 nan 0.000 0.405 1018 Y N 0.605 120.759 120.300 -0.243 0.000 2.128 1018 Y HA -0.271 4.279 4.550 0.001 0.000 0.284 1018 Y C 2.892 178.561 175.900 -0.385 0.000 1.154 1018 Y CA 0.979 58.829 58.100 -0.418 0.000 1.149 1018 Y CB -0.417 37.511 38.460 -0.886 0.000 0.976 1018 Y HN 0.028 nan 8.280 nan 0.000 0.505 1019 R N -0.173 120.210 120.500 -0.194 0.000 2.096 1019 R HA -0.174 4.167 4.340 0.001 0.000 0.235 1019 R C 2.039 178.284 176.300 -0.093 0.000 1.127 1019 R CA 1.265 57.309 56.100 -0.094 0.000 0.968 1019 R CB -0.235 30.048 30.300 -0.028 0.000 0.861 1019 R HN 0.310 nan 8.270 nan 0.000 0.440 1020 I N 0.381 120.886 120.570 -0.108 0.000 2.113 1020 I HA -0.252 3.918 4.170 0.001 0.000 0.238 1020 I C 2.075 178.124 176.117 -0.114 0.000 1.070 1020 I CA 1.638 62.867 61.300 -0.118 0.000 1.332 1020 I CB -1.463 36.454 38.000 -0.138 0.000 1.044 1020 I HN 0.180 nan 8.210 nan 0.000 0.402 1021 T N 1.773 116.270 114.554 -0.094 0.000 2.684 1021 T HA -0.207 4.144 4.350 0.001 0.000 0.267 1021 T C 1.620 176.274 174.700 -0.076 0.000 1.032 1021 T CA 1.404 63.465 62.100 -0.065 0.000 1.155 1021 T CB -0.329 68.533 68.868 -0.009 0.000 0.857 1021 T HN 0.244 nan 8.240 nan 0.000 0.457 1022 L N 0.521 121.688 121.223 -0.093 0.000 2.928 1022 L HA 0.417 4.758 4.340 0.001 0.000 0.246 1022 L C 0.574 177.369 176.870 -0.124 0.000 1.239 1022 L CA -0.362 54.403 54.840 -0.126 0.000 1.035 1022 L CB -0.079 41.885 42.059 -0.158 0.000 1.360 1022 L HN 0.230 nan 8.230 nan 0.000 0.529 1026 D N 0.248 120.664 120.400 0.027 0.000 2.107 1026 D HA 0.025 4.665 4.640 0.001 0.000 0.204 1026 D C 0.284 176.611 176.300 0.045 0.000 0.978 1026 D CA 1.126 55.169 54.000 0.072 0.000 0.852 1026 D CB 0.215 41.081 40.800 0.109 0.000 1.008 1026 D HN 0.632 nan 8.370 nan 0.000 0.458 1027 D N 0.067 120.486 120.400 0.032 0.000 2.277 1027 D HA 0.306 4.946 4.640 0.001 0.000 0.249 1027 D C 0.967 177.278 176.300 0.018 0.000 1.134 1027 D CA -0.147 53.866 54.000 0.023 0.000 0.863 1027 D CB 1.746 42.558 40.800 0.019 0.000 1.143 1027 D HN -0.030 nan 8.370 nan 0.000 0.458 1028 A N 4.148 126.978 122.820 0.017 0.000 1.958 1028 A HA -0.265 4.056 4.320 0.001 0.000 0.221 1028 A C 1.834 179.430 177.584 0.020 0.000 1.178 1028 A CA 1.445 53.493 52.037 0.018 0.000 0.642 1028 A CB -0.324 18.684 19.000 0.013 0.000 0.816 1028 A HN 0.621 nan 8.150 nan 0.000 0.453 1029 E N 0.266 120.476 120.200 0.016 0.000 2.065 1029 E HA -0.244 4.106 4.350 0.001 0.000 0.201 1029 E C 1.480 178.091 176.600 0.018 0.000 1.016 1029 E CA 1.695 58.104 56.400 0.015 0.000 0.818 1029 E CB -0.536 29.171 29.700 0.011 0.000 0.749 1029 E HN 0.672 nan 8.360 nan 0.000 0.453 1030 D N 0.315 120.724 120.400 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 0.017 0.000 0.970 1030 D CA 0.793 54.798 54.000 0.009 0.000 0.851 1030 D CB -0.234 40.565 40.800 -0.003 0.000 0.943 1030 D HN 0.439 nan 8.370 nan 0.000 0.488 1031 E N 1.626 121.845 120.200 0.032 0.000 2.118 1031 E HA -0.242 4.109 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 1.095 57.534 56.400 0.065 0.000 0.804 1031 E CB 0.070 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 0.480 120.939 120.400 0.098 0.000 2.002 1032 K HA -0.130 4.191 4.320 0.001 0.000 0.209 1032 K C 2.332 178.989 176.600 0.094 0.000 1.048 1032 K CA 1.425 57.767 56.287 0.092 0.000 0.930 1032 K CB -0.247 32.275 32.500 0.037 0.000 0.714 1032 K HN 0.253 nan 8.250 nan 0.000 0.438 1033 L N 0.328 121.580 121.223 0.049 0.000 2.083 1033 L HA -0.147 4.193 4.340 0.001 0.000 0.209 1033 L C 2.289 179.168 176.870 0.015 0.000 1.083 1033 L CA 1.420 56.276 54.840 0.027 0.000 0.752 1033 L CB -0.391 41.671 42.059 0.006 0.000 0.899 1033 L HN 0.325 nan 8.230 nan 0.000 0.433 1034 A N -0.717 122.100 122.820 -0.005 0.000 1.917 1034 A HA -0.328 3.992 4.320 0.001 0.000 0.219 1034 A C 1.871 179.393 177.584 -0.102 0.000 1.182 1034 A CA 2.196 54.188 52.037 -0.075 0.000 0.633 1034 A CB -1.004 17.924 19.000 -0.121 0.000 0.819 1034 A HN 0.629 nan 8.150 nan 0.000 0.448 1035 H N -0.586 118.470 119.070 -0.023 0.000 2.326 1035 H HA -0.020 4.536 4.556 0.001 0.000 0.301 1035 H C 2.160 177.474 175.328 -0.022 0.000 1.081 1035 H CA 1.832 57.867 56.048 -0.022 0.000 1.334 1035 H CB 0.016 29.768 29.762 -0.017 0.000 1.385 1035 H HN 0.419 nan 8.280 nan 0.000 0.504 1036 K N 0.260 120.724 120.400 0.106 0.000 2.074 1036 K HA -0.162 4.159 4.320 0.001 0.000 0.209 1036 K C 2.097 178.708 176.600 0.019 0.000 1.048 1036 K CA 1.525 57.842 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 -0.001 0.000 2.142 1037 I HA -0.285 3.886 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 0.663 61.947 61.300 -0.025 0.000 1.343 1037 I CB -0.347 37.627 38.000 -0.044 0.000 1.046 1037 I HN 0.128 nan 8.210 nan 0.000 0.405 1038 L N 1.224 122.418 121.223 -0.049 0.000 2.013 1038 L HA -0.245 4.095 4.340 0.001 0.000 0.212 1038 L C 2.498 179.349 176.870 -0.032 0.000 1.073 1038 L CA 1.914 56.718 54.840 -0.060 0.000 0.753 1038 L CB -0.994 41.009 42.059 -0.094 0.000 0.890 1038 L HN 0.235 nan 8.230 nan 0.000 0.432 1039 E N -0.532 119.669 120.200 0.002 0.000 2.007 1039 E HA -0.254 4.096 4.350 0.001 0.000 0.203 1039 E C 1.950 178.536 176.600 -0.024 0.000 1.020 1039 E CA 2.206 58.607 56.400 0.002 0.000 0.845 1039 E CB -1.077 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 -0.315 4.035 4.350 0.001 0.000 0.265 1040 T C 1.939 176.605 174.700 -0.055 0.000 1.058 1040 T CA 2.471 64.566 62.100 -0.008 0.000 1.162 1040 T CB -0.682 68.187 68.868 0.002 0.000 0.859 1040 T HN 0.426 nan 8.240 nan 0.000 0.449 1041 A N 2.522 125.264 122.820 -0.129 0.000 1.859 1041 A HA -0.299 4.021 4.320 0.001 0.000 0.218 1041 A C 2.278 179.764 177.584 -0.164 0.000 1.209 1041 A CA 3.095 54.994 52.037 -0.229 0.000 0.639 1041 A CB -0.918 18.015 19.000 -0.111 0.000 0.835 1041 A HN 0.748 nan 8.150 nan 0.000 0.450 1042 R N -0.771 119.679 120.500 -0.082 0.000 2.117 1042 R HA -0.174 4.166 4.340 0.001 0.000 0.243 1042 R C 1.558 177.820 176.300 -0.063 0.000 1.143 1042 R CA 1.860 57.929 56.100 -0.051 0.000 0.968 1042 R CB -0.599 29.681 30.300 -0.034 0.000 0.863 1042 R HN 0.476 nan 8.270 nan 0.000 0.444 1043 E N -0.110 120.044 120.200 -0.076 0.000 2.265 1043 E HA -0.172 4.179 4.350 0.001 0.000 0.196 1043 E C 1.393 177.884 176.600 -0.181 0.000 0.996 1043 E CA 1.116 57.447 56.400 -0.115 0.000 0.832 1043 E CB -0.118 29.513 29.700 -0.115 0.000 0.756 1043 E HN 0.540 nan 8.360 nan 0.000 0.491 1044 Y N 0.006 120.106 120.300 -0.335 0.000 2.389 1044 Y HA 0.096 4.646 4.550 0.001 0.000 0.292 1044 Y C 2.216 178.031 175.900 -0.142 0.000 1.117 1044 Y CA 0.265 58.136 58.100 -0.381 0.000 1.195 1044 Y CB 0.046 37.905 38.460 -1.002 0.000 1.076 1044 Y HN -0.068 nan 8.280 nan 0.000 0.548 1045 I N -0.558 120.032 120.570 0.034 0.000 2.226 1045 I HA -0.317 3.854 4.170 0.001 0.000 0.245 1045 I C 2.369 178.521 176.117 0.059 0.000 1.100 1045 I CA 1.222 62.599 61.300 0.128 0.000 1.374 1045 I CB -0.435 37.626 38.000 0.102 0.000 1.057 1045 I HN 0.225 nan 8.210 nan 0.000 0.413 1046 L N 0.900 122.120 121.223 -0.006 0.000 1.955 1046 L HA -0.183 4.157 4.340 0.001 0.000 0.213 1046 L C 2.626 179.432 176.870 -0.106 0.000 1.072 1046 L CA 2.174 56.978 54.840 -0.060 0.000 0.755 1046 L CB -1.037 40.968 42.059 -0.091 0.000 0.888 1046 L HN 0.312 nan 8.230 nan 0.000 0.432 1047 G N 0.078 108.842 108.800 -0.060 0.000 2.574 1047 G HA2 -0.332 3.629 3.960 0.001 0.000 0.220 1047 G HA3 -0.332 3.629 3.960 0.001 0.000 0.220 1047 G C 1.532 176.360 174.900 -0.121 0.000 1.173 1047 G CA 1.409 46.547 45.100 0.064 0.000 0.772 1047 G HN 0.407 nan 8.290 nan 0.000 0.585 1048 L N 0.381 121.598 121.223 -0.010 0.000 2.027 1048 L HA -0.077 4.264 4.340 0.001 0.000 0.206 1048 L C 3.230 180.009 176.870 -0.151 0.000 1.074 1048 L CA 1.287 56.085 54.840 -0.069 0.000 0.745 1048 L CB -0.582 41.571 42.059 0.156 0.000 0.898 1048 L HN 0.182 nan 8.230 nan 0.000 0.433 1049 S N 0.161 115.818 115.700 -0.072 0.000 2.392 1049 S HA -0.210 4.261 4.470 0.001 0.000 0.232 1049 S C 1.886 176.394 174.600 -0.153 0.000 1.041 1049 S CA 1.498 59.679 58.200 -0.030 0.000 1.026 1049 S CB -0.352 62.890 63.200 0.070 0.000 0.845 1049 S HN 0.283 nan 8.310 nan 0.000 0.465 1050 I N 0.834 121.148 120.570 -0.426 0.000 2.141 1050 I HA -0.148 4.022 4.170 0.001 0.000 0.236 1050 I C 2.704 178.597 176.117 -0.374 0.000 1.071 1050 I CA 1.463 62.431 61.300 -0.554 0.000 1.345 1050 I CB -0.549 37.093 38.000 -0.597 0.000 1.066 1050 I HN 0.251 nan 8.210 nan 0.000 0.406 1051 E N 1.723 121.552 120.200 -0.618 0.000 2.114 1051 E HA -0.266 4.084 4.350 0.001 0.000 0.199 1051 E C 2.199 178.621 176.600 -0.296 0.000 1.008 1051 E CA 1.640 57.683 56.400 -0.594 0.000 0.810 1051 E CB -0.465 28.638 29.700 -0.995 0.000 0.739 1051 E HN 0.395 nan 8.360 nan 0.000 0.456 1052 L N 0.165 121.249 121.223 -0.230 0.000 2.012 1052 L HA -0.226 4.114 4.340 0.001 0.000 0.210 1052 L C 2.634 179.474 176.870 -0.049 0.000 1.073 1052 L CA 2.260 57.036 54.840 -0.107 0.000 0.748 1052 L CB -0.364 41.663 42.059 -0.053 0.000 0.891 1052 L HN 0.381 nan 8.230 nan 0.000 0.431 1053 E N -0.671 119.525 120.200 -0.006 0.000 2.285 1053 E HA -0.208 4.142 4.350 0.001 0.000 0.194 1053 E C 2.282 178.897 176.600 0.024 0.000 0.997 1053 E CA 0.213 56.647 56.400 0.057 0.000 0.845 1053 E CB 0.086 29.906 29.700 0.201 0.000 0.782 1053 E HN 0.174 nan 8.360 nan 0.000 0.491 1054 R N 0.860 121.342 120.500 -0.030 0.000 2.148 1054 R HA -0.026 4.314 4.340 0.001 0.000 0.223 1054 R C 1.821 178.097 176.300 -0.040 0.000 1.088 1054 R CA 0.945 57.020 56.100 -0.042 0.000 0.985 1054 R CB -0.021 30.223 30.300 -0.092 0.000 0.880 1054 R HN 0.201 nan 8.270 nan 0.000 0.451 1055 R N -0.048 120.422 120.500 -0.050 0.000 2.119 1055 R HA -0.001 4.339 4.340 0.001 0.000 0.222 1055 R C 1.519 177.807 176.300 -0.019 0.000 1.088 1055 R CA 1.260 57.338 56.100 -0.038 0.000 0.984 1055 R CB -0.041 30.229 30.300 -0.050 0.000 0.884 1055 R HN 0.141 nan 8.270 nan 0.000 0.447 1056 S N 0.783 116.477 115.700 -0.011 0.000 2.930 1056 S HA 0.212 4.682 4.470 0.001 0.000 0.257 1056 S C 0.254 174.855 174.600 0.002 0.000 1.208 1056 S CA -0.201 57.998 58.200 -0.001 0.000 1.233 1056 S CB -0.406 62.798 63.200 0.007 0.000 0.900 1056 S HN 0.079 nan 8.310 nan 0.000 0.472 1057 L N 1.238 122.459 121.223 -0.003 0.000 2.346 1057 L HA 0.517 4.857 4.340 0.001 0.000 0.276 1057 L C -0.012 176.857 176.870 -0.002 0.000 1.006 1057 L CA -0.821 54.017 54.840 -0.002 0.000 0.817 1057 L CB 1.940 43.994 42.059 -0.008 0.000 1.272 1057 L HN 0.152 nan 8.230 nan 0.000 0.421 1058 K N 2.486 122.886 120.400 -0.001 0.000 2.144 1058 K HA 0.205 4.525 4.320 0.001 0.000 0.270 1058 K C -0.223 176.378 176.600 0.002 0.000 1.005 1058 K CA -0.675 55.613 56.287 0.001 0.000 0.932 1058 K CB 0.891 33.392 32.500 0.002 0.000 1.021 1058 K HN 0.530 nan 8.250 nan 0.000 0.462 1059 E N 0.867 121.071 120.200 0.007 0.000 2.641 1059 E HA -0.180 4.170 4.350 0.001 0.000 0.272 1059 E C 0.709 177.313 176.600 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 29.645 29.700 0.016 0.000 0.967 1059 E HN 0.851 nan 8.360 nan 0.000 0.464 1060 G N 3.352 112.158 108.800 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 0.004 0.000 0.619 1060 G HN 0.576 nan 8.290 nan 0.000 0.513 1061 N N 2.004 120.695 118.700 -0.015 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 -0.050 0.000 1.200 1061 N CA 1.572 54.609 53.050 -0.022 0.000 0.897 1061 N CB -0.463 38.015 38.487 -0.016 0.000 0.990 1061 N HN 0.788 nan 8.380 nan 0.000 0.449 1062 T N -0.616 113.896 114.554 -0.070 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 -0.166 0.000 1.086 1062 T CA 2.275 64.284 62.100 -0.152 0.000 1.155 1062 T CB -1.186 67.597 68.868 -0.141 0.000 0.848 1062 T HN 0.052 nan 8.240 nan 0.000 0.464 1063 V N 2.053 121.908 119.914 -0.099 0.000 2.220 1063 V HA -0.178 3.942 4.120 0.001 0.000 0.250 1063 V C 1.970 178.020 176.094 -0.074 0.000 1.056 1063 V CA 1.915 64.170 62.300 -0.076 0.000 1.016 1063 V CB -1.069 30.737 31.823 -0.028 0.000 0.639 1063 V HN 0.524 nan 8.190 nan 0.000 0.446 1067 E N 1.557 121.653 120.200 -0.174 0.000 2.023 1067 E HA -0.187 4.164 4.350 0.001 0.000 0.196 1067 E C 2.112 178.221 176.600 -0.820 0.000 1.003 1067 E CA 1.906 58.040 56.400 -0.443 0.000 0.809 1067 E CB 0.091 29.625 29.700 -0.277 0.000 0.755 1067 E HN 0.368 nan 8.360 nan 0.000 0.449 1068 L N 0.224 121.207 121.223 -0.401 0.000 1.994 1068 L HA -0.176 4.165 4.340 0.001 0.000 0.208 1068 L C 2.693 179.452 176.870 -0.185 0.000 1.071 1068 L CA 1.062 55.764 54.840 -0.230 0.000 0.745 1068 L CB -0.604 41.413 42.059 -0.070 0.000 0.892 1068 L HN 0.220 nan 8.230 nan 0.000 0.431 1069 A N 0.070 122.806 122.820 -0.140 0.000 1.986 1069 A HA -0.231 4.090 4.320 0.001 0.000 0.220 1069 A C 2.414 179.855 177.584 -0.239 0.000 1.171 1069 A CA 2.061 54.045 52.037 -0.089 0.000 0.640 1069 A CB -0.634 18.351 19.000 -0.025 0.000 0.811 1069 A HN 0.464 nan 8.150 nan 0.000 0.451 1070 A N -2.140 120.458 122.820 -0.371 0.000 2.081 1070 A HA 0.157 4.478 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 0.747 52.394 52.037 -0.651 0.000 0.724 1070 A CB -0.515 18.085 19.000 -0.666 0.000 0.826 1070 A HN 0.663 nan 8.150 nan 0.000 0.463 1071 Y N -2.232 117.884 120.300 -0.306 0.000 2.220 1071 Y HA -0.172 4.379 4.550 0.001 0.000 0.291 1071 Y C 2.227 178.065 175.900 -0.104 0.000 1.129 1071 Y CA 0.673 58.660 58.100 -0.189 0.000 1.161 1071 Y CB -0.289 38.086 38.460 -0.142 0.000 0.997 1071 Y HN 0.409 nan 8.280 nan 0.000 0.522 1072 F N 1.693 121.575 119.950 -0.115 0.000 2.147 1072 F HA -0.298 4.230 4.527 0.001 0.000 0.301 1072 F C 2.122 177.818 175.800 -0.172 0.000 1.084 1072 F CA 1.917 59.818 58.000 -0.165 0.000 1.268 1072 F CB -1.121 37.770 39.000 -0.181 0.000 1.009 1072 F HN -0.105 nan 8.300 nan 0.000 0.486 1073 T N 0.203 114.604 114.554 -0.254 0.000 2.849 1073 T HA -0.174 4.176 4.350 0.001 0.000 0.270 1073 T C 2.044 176.660 174.700 -0.140 0.000 1.066 1073 T CA 1.184 63.075 62.100 -0.347 0.000 1.130 1073 T CB -0.189 68.447 68.868 -0.387 0.000 0.864 1073 T HN 0.085 nan 8.240 nan 0.000 0.481 1074 K N 1.321 121.716 120.400 -0.008 0.000 2.366 1074 K HA 0.231 4.551 4.320 0.001 0.000 0.198 1074 K C 0.934 177.518 176.600 -0.026 0.000 1.044 1074 K CA -0.043 56.290 56.287 0.077 0.000 0.973 1074 K CB -0.307 32.290 32.500 0.161 0.000 0.767 1074 K HN 0.328 nan 8.250 nan 0.000 0.475 1075 A N 2.312 125.080 122.820 -0.087 0.000 2.513 1075 A HA -0.022 4.298 4.320 0.001 0.000 0.274 1075 A C -0.128 177.333 177.584 -0.205 0.000 1.115 1075 A CA 0.225 52.179 52.037 -0.138 0.000 0.792 1075 A CB -0.346 18.584 19.000 -0.116 0.000 1.053 1075 A HN 0.121 nan 8.150 nan 0.000 0.515 1076 K N 3.115 123.419 120.400 -0.161 0.000 2.086 1076 K HA 0.112 4.433 4.320 0.001 0.000 0.215 1076 K C -0.329 176.140 176.600 -0.219 0.000 1.207 1076 K CA 0.350 56.546 56.287 -0.152 0.000 1.206 1076 K CB -0.693 31.752 32.500 -0.092 0.000 1.253 1076 K HN 0.650 nan 8.250 nan 0.000 0.234 1077 L N 0.152 121.178 121.223 -0.328 0.000 2.365 1077 L HA 0.299 4.640 4.340 0.001 0.000 0.267 1077 L C 0.823 177.575 176.870 -0.197 0.000 1.033 1077 L CA -1.165 53.412 54.840 -0.438 0.000 0.802 1077 L CB 1.040 42.623 42.059 -0.793 0.000 1.267 1077 L HN 0.267 nan 8.230 nan 0.000 0.457 1078 S N 0.278 115.937 115.700 -0.068 0.000 2.558 1078 S HA 0.071 4.542 4.470 0.001 0.000 0.288 1078 S C -1.535 173.002 174.600 -0.105 0.000 1.318 1078 S CA -0.851 57.334 58.200 -0.024 0.000 1.056 1078 S CB 0.408 63.655 63.200 0.079 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 64.350 63.100 -0.165 0.000 0.902 1079 P CB -0.124 31.490 31.700 -0.143 0.000 0.789 1080 I N -0.529 119.907 120.570 -0.224 0.000 2.227 1080 I HA -0.330 3.841 4.170 0.001 0.000 0.250 1080 I C 2.176 178.093 176.117 -0.334 0.000 1.087 1080 I CA 2.052 63.173 61.300 -0.299 0.000 1.352 1080 I CB -0.542 37.254 38.000 -0.341 0.000 1.043 1080 I HN -0.011 nan 8.210 nan 0.000 0.425 1081 H N -0.300 118.667 119.070 -0.172 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 -0.205 0.000 1.017 1081 H CA 0.700 56.633 56.048 -0.192 0.000 1.322 1081 H CB 0.005 29.494 29.762 -0.455 0.000 1.426 1081 H HN 0.262 nan 8.280 nan 0.000 0.546 1082 R N 0.485 120.868 120.500 -0.196 0.000 2.235 1082 R HA -0.089 4.251 4.340 0.001 0.000 0.213 1082 R C 1.297 177.433 176.300 -0.275 0.000 1.059 1082 R CA 0.976 56.901 56.100 -0.293 0.000 0.997 1082 R CB -0.013 30.116 30.300 -0.285 0.000 0.884 1082 R HN 0.245 nan 8.270 nan 0.000 0.462 1083 T N 1.215 115.629 114.554 -0.233 0.000 2.622 1083 T HA -0.120 4.230 4.350 0.001 0.000 0.266 1083 T C 1.249 175.918 174.700 -0.052 0.000 1.047 1083 T CA 1.935 63.877 62.100 -0.264 0.000 1.159 1083 T CB -0.262 68.400 68.868 -0.345 0.000 0.863 1083 T HN 0.413 nan 8.240 nan 0.000 0.422 1084 N N 1.400 120.115 118.700 0.025 0.000 2.137 1084 N HA -0.075 4.666 4.740 0.001 0.000 0.190 1084 N C 1.851 177.359 175.510 -0.002 0.000 1.017 1084 N CA 1.324 54.431 53.050 0.096 0.000 0.859 1084 N CB -0.467 38.146 38.487 0.211 0.000 1.002 1084 N HN 0.449 nan 8.380 nan 0.000 0.428 1085 A N 0.852 123.514 122.820 -0.263 0.000 1.841 1085 A HA -0.031 4.290 4.320 0.001 0.000 0.214 1085 A C 2.209 179.542 177.584 -0.418 0.000 1.195 1085 A CA 0.950 52.544 52.037 -0.738 0.000 0.611 1085 A CB -0.916 17.194 19.000 -1.484 0.000 0.835 1085 A HN 0.200 nan 8.150 nan 0.000 0.443 1086 L N -0.634 120.384 121.223 -0.341 0.000 2.021 1086 L HA -0.328 4.013 4.340 0.001 0.000 0.215 1086 L C 2.969 179.777 176.870 -0.102 0.000 1.074 1086 L CA 2.155 56.848 54.840 -0.246 0.000 0.760 1086 L CB -0.665 41.355 42.059 -0.064 0.000 0.889 1086 L HN 0.611 nan 8.230 nan 0.000 0.433 1087 Q N -0.088 119.757 119.800 0.074 0.000 2.096 1087 Q HA -0.204 4.137 4.340 0.001 0.000 0.204 1087 Q C 2.292 178.269 176.000 -0.038 0.000 0.982 1087 Q CA 2.089 57.906 55.803 0.023 0.000 0.850 1087 Q CB 0.006 28.798 28.738 0.089 0.000 0.901 1087 Q HN 0.377 nan 8.270 nan 0.000 0.422 1088 V N 1.352 121.251 119.914 -0.024 0.000 2.287 1088 V HA -0.237 3.883 4.120 0.001 0.000 0.248 1088 V C 1.584 177.653 176.094 -0.042 0.000 1.053 1088 V CA 1.315 63.616 62.300 0.003 0.000 1.027 1088 V CB -1.179 30.698 31.823 0.090 0.000 0.646 1088 V HN 0.493 nan 8.190 nan 0.000 0.447 1092 Q N 1.344 121.270 119.800 0.210 0.000 2.389 1092 Q HA -0.091 4.249 4.340 0.001 0.000 0.213 1092 Q C 0.218 176.420 176.000 0.336 0.000 0.989 1092 Q CA 1.511 57.479 55.803 0.275 0.000 0.891 1092 Q CB -0.587 28.273 28.738 0.203 0.000 0.923 1092 Q HN 0.743 nan 8.270 nan 0.000 0.455 1093 H N -1.760 117.428 119.070 0.196 0.000 2.577 1093 H HA 0.206 4.762 4.556 0.001 0.000 0.306 1093 H C -0.034 175.342 175.328 0.080 0.000 1.109 1093 H CA -0.173 55.965 56.048 0.151 0.000 1.063 1093 H CB -0.225 29.672 29.762 0.225 0.000 1.535 1093 H HN 0.090 nan 8.280 nan 0.000 0.532 1094 F N -0.846 119.086 119.950 -0.029 0.000 2.637 1094 F HA 0.195 4.723 4.527 0.001 0.000 0.342 1094 F C 1.406 177.124 175.800 -0.138 0.000 0.822 1094 F CA 0.056 57.955 58.000 -0.169 0.000 1.046 1094 F CB 0.649 39.622 39.000 -0.044 0.000 0.921 1094 F HN -0.137 nan 8.300 nan 0.000 0.649 1095 K N 0.032 120.479 120.400 0.078 0.000 2.551 1095 K HA 0.065 4.385 4.320 0.001 0.000 0.192 1095 K C -0.216 176.056 176.600 -0.547 0.000 1.027 1095 K CA 0.605 56.802 56.287 -0.150 0.000 1.059 1095 K CB -0.115 32.323 32.500 -0.103 0.000 0.831 1095 K HN 0.322 nan 8.250 nan 0.000 0.508 1096 H N 0.100 119.095 119.070 -0.125 0.000 2.907 1096 H HA 0.053 4.609 4.556 0.000 0.000 0.233 1096 H C -0.759 174.412 175.328 -0.261 0.000 1.285 1096 H CA -0.306 55.644 56.048 -0.163 0.000 0.981 1096 H CB 0.378 30.044 29.762 -0.160 0.000 2.255 1096 H HN 0.041 nan 8.280 nan 0.000 0.601 1097 K N 1.701 121.894 120.400 -0.345 0.000 3.903 1097 K HA -0.241 4.079 4.320 0.001 0.000 0.275 1097 K C -1.006 175.281 176.600 -0.523 0.000 0.825 1097 K CA 0.582 56.555 56.287 -0.523 0.000 0.684 1097 K CB -1.345 31.152 32.500 -0.006 0.000 1.707 1097 K HN 0.492 nan 8.250 nan 0.000 0.435 1098 N N 1.549 119.808 118.700 -0.735 0.000 2.723 1098 N HA 0.195 4.936 4.740 0.001 0.000 0.290 1098 N C -0.242 175.162 175.510 -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 38.802 38.487 -0.076 0.000 1.234 1098 N HN 0.193 nan 8.380 nan 0.000 0.491 1099 F N -0.469 119.540 119.950 0.098 0.000 2.699 1099 F HA 0.033 4.560 4.527 0.000 0.000 0.298 1099 F C 1.656 177.526 175.800 0.116 0.000 1.154 1099 F CA 0.010 58.089 58.000 0.132 0.000 1.457 1099 F CB 0.064 39.111 39.000 0.077 0.000 1.106 1099 F HN 0.331 nan 8.300 nan 0.000 0.585 1100 L N -0.353 121.019 121.223 0.249 0.000 2.478 1100 L HA -0.059 4.281 4.340 0.001 0.000 0.223 1100 L C 1.452 178.392 176.870 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 -2.997 116.864 119.800 0.103 0.000 2.313 1101 Q HA 0.315 4.655 4.340 0.001 0.000 0.263 1101 Q C 2.070 177.963 176.000 -0.178 0.000 0.820 1101 Q CA 0.667 56.418 55.803 -0.087 0.000 0.974 1101 Q CB -0.100 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 0.082 0.000 1.883 1102 A HA -0.234 4.086 4.320 0.001 0.000 0.217 1102 A C 2.138 179.828 177.584 0.177 0.000 1.186 1102 A CA 2.082 54.240 52.037 0.201 0.000 0.624 1102 A CB -0.929 18.276 19.000 0.342 0.000 0.822 1102 A HN 0.296 nan 8.150 nan 0.000 0.444 1103 S N -2.192 113.633 115.700 0.209 0.000 2.419 1103 S HA -0.170 4.300 4.470 0.001 0.000 0.233 1103 S C 1.802 176.496 174.600 0.156 0.000 1.016 1103 S CA 1.564 59.877 58.200 0.189 0.000 0.974 1103 S CB -0.503 62.816 63.200 0.199 0.000 0.786 1103 S HN 0.682 nan 8.310 nan 0.000 0.492 1104 Y N 1.312 121.590 120.300 -0.036 0.000 2.130 1104 Y HA 0.022 4.572 4.550 0.001 0.000 0.287 1104 Y C 1.584 177.498 175.900 0.023 0.000 1.124 1104 Y CA 1.366 59.417 58.100 -0.082 0.000 1.118 1104 Y CB -1.012 37.295 38.460 -0.254 0.000 0.994 1104 Y HN 0.267 nan 8.280 nan 0.000 0.497 1105 F N 0.712 120.532 119.950 -0.218 0.000 2.026 1105 F HA -0.131 4.397 4.527 0.001 0.000 0.296 1105 F C 2.837 178.546 175.800 -0.151 0.000 1.133 1105 F CA 1.362 59.166 58.000 -0.326 0.000 1.188 1105 F CB -1.682 37.206 39.000 -0.188 0.000 0.968 1105 F HN 0.147 nan 8.300 nan 0.000 0.476 1106 A N 0.321 123.219 122.820 0.130 0.000 1.971 1106 A HA -0.194 4.126 4.320 0.001 0.000 0.222 1106 A C 2.553 180.179 177.584 0.069 0.000 1.182 1106 A CA 2.221 54.273 52.037 0.026 0.000 0.649 1106 A CB -1.631 17.357 19.000 -0.020 0.000 0.818 1106 A HN 0.472 nan 8.150 nan 0.000 0.458 1107 G N -1.110 107.727 108.800 0.063 0.000 2.395 1107 G HA2 -0.111 3.849 3.960 0.001 0.000 0.214 1107 G HA3 -0.111 3.849 3.960 0.001 0.000 0.214 1107 G C 1.389 176.320 174.900 0.053 0.000 1.177 1107 G CA 1.017 46.159 45.100 0.069 0.000 0.794 1107 G HN 0.523 nan 8.290 nan 0.000 0.532 1108 E N -0.192 119.982 120.200 -0.042 0.000 2.333 1108 E HA -0.058 4.292 4.350 0.001 0.000 0.198 1108 E C 1.747 178.337 176.600 -0.016 0.000 1.007 1108 E CA 0.459 56.805 56.400 -0.089 0.000 0.845 1108 E CB -0.327 29.182 29.700 -0.319 0.000 0.766 1108 E HN 0.501 nan 8.360 nan 0.000 0.507 1109 F N -0.201 119.687 119.950 -0.103 0.000 2.123 1109 F HA 0.020 4.548 4.527 0.001 0.000 0.289 1109 F C 1.703 177.465 175.800 -0.063 0.000 1.099 1109 F CA 0.809 58.756 58.000 -0.088 0.000 1.234 1109 F CB -0.114 38.838 39.000 -0.080 0.000 1.034 1109 F HN -0.061 nan 8.300 nan 0.000 0.479 1110 L N 1.153 122.653 121.223 0.461 0.000 2.263 1110 L HA -0.244 4.096 4.340 0.001 0.000 0.216 1110 L C 1.725 178.657 176.870 0.102 0.000 1.111 1110 L CA 1.689 56.706 54.840 0.294 0.000 0.773 1110 L CB -0.948 41.211 42.059 0.166 0.000 0.906 1110 L HN 0.305 nan 8.230 nan 0.000 0.439 1111 K N -0.302 120.125 120.400 0.045 0.000 2.665 1111 K HA 0.121 4.441 4.320 0.001 0.000 0.214 1111 K C 0.917 177.483 176.600 -0.057 0.000 1.032 1111 K CA 0.456 56.742 56.287 -0.003 0.000 1.198 1111 K CB 0.226 32.727 32.500 0.001 0.000 0.941 1111 K HN 0.337 nan 8.250 nan 0.000 0.491 1112 I N -0.689 119.817 120.570 -0.107 0.000 5.007 1112 I HA 0.149 4.319 4.170 0.001 0.000 0.323 1112 I C -0.265 175.747 176.117 -0.176 0.000 1.195 1112 I CA -0.450 60.750 61.300 -0.166 0.000 1.407 1112 I CB 0.742 38.586 38.000 -0.259 0.000 1.544 1112 I HN 0.092 nan 8.210 nan 0.000 0.505 1113 I N 1.590 122.039 120.570 -0.202 0.000 2.328 1113 I HA 0.194 4.364 4.170 0.001 0.000 0.287 1113 I C 1.280 177.413 176.117 0.028 0.000 1.012 1113 I CA 0.485 61.716 61.300 -0.116 0.000 1.195 1113 I CB 1.457 39.346 38.000 -0.185 0.000 1.350 1113 I HN 0.032 nan 8.210 nan 0.000 0.464 1114 S N 4.982 120.689 115.700 0.013 0.000 2.325 1114 S HA -0.010 4.460 4.470 0.001 0.000 0.213 1114 S C 0.856 175.484 174.600 0.048 0.000 1.031 1114 S CA 0.956 59.174 58.200 0.029 0.000 0.984 1114 S CB 0.271 63.477 63.200 0.010 0.000 0.939 1114 S HN 0.660 nan 8.310 nan 0.000 0.438 1115 S N -0.601 115.123 115.700 0.041 0.000 2.668 1115 S HA 0.671 5.141 4.470 0.001 0.000 0.277 1115 S C -0.560 174.064 174.600 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 -2.618 172.301 174.900 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 -0.232 nan 4.420 nan 0.000 0.214 1117 P C 1.587 178.883 177.300 -0.008 0.000 1.163 1117 P CA 1.109 64.213 63.100 0.006 0.000 0.889 1117 P CB 0.204 31.909 31.700 0.007 0.000 0.790 1118 R N 0.519 121.024 120.500 0.008 0.000 2.073 1118 R HA -0.115 4.226 4.340 0.001 0.000 0.234 1118 R C 2.345 178.594 176.300 -0.086 0.000 1.134 1118 R CA 1.851 57.937 56.100 -0.023 0.000 0.952 1118 R CB -1.082 29.249 30.300 0.052 0.000 0.850 1118 R HN 0.064 nan 8.270 nan 0.000 0.433 1119 A N 1.488 124.327 122.820 0.032 0.000 1.892 1119 A HA -0.226 4.095 4.320 0.001 0.000 0.218 1119 A C 1.990 179.536 177.584 -0.062 0.000 1.188 1119 A CA 1.901 53.967 52.037 0.049 0.000 0.631 1119 A CB -0.639 18.469 19.000 0.180 0.000 0.822 1119 A HN 0.586 nan 8.150 nan 0.000 0.447 1120 E N -1.045 119.134 120.200 -0.036 0.000 2.160 1120 E HA -0.277 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 1.396 57.769 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 0.323 120.045 119.800 -0.130 0.000 2.083 1121 Q HA -0.113 4.227 4.340 0.001 0.000 0.198 1121 Q C 2.156 178.017 176.000 -0.233 0.000 0.969 1121 Q CA 1.143 56.846 55.803 -0.166 0.000 0.838 1121 Q CB -0.096 28.538 28.738 -0.175 0.000 0.900 1121 Q HN 0.222 nan 8.270 nan 0.000 0.436 1122 A N 1.141 123.764 122.820 -0.328 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 -0.627 119.793 120.500 -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 1.527 57.591 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 0.527 nan 8.270 nan 0.000 0.429 1124 K N 0.737 121.095 120.400 -0.069 0.000 2.228 1124 K HA -0.163 4.157 4.320 0.001 0.000 0.205 1124 K C 1.896 178.456 176.600 -0.067 0.000 1.045 1124 K CA 1.233 57.489 56.287 -0.052 0.000 0.931 1124 K CB 0.050 32.514 32.500 -0.060 0.000 0.727 1124 K HN 0.109 nan 8.250 nan 0.000 0.458 1125 I N 1.051 121.523 120.570 -0.164 0.000 2.406 1125 I HA -0.189 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 1.157 62.288 61.300 -0.282 0.000 1.431 1125 I CB -0.762 36.952 38.000 -0.478 0.000 1.087 1125 I HN 0.247 nan 8.210 nan 0.000 0.424 1126 K N 0.948 121.355 120.400 0.012 0.000 2.288 1126 K HA -0.117 4.203 4.320 0.001 0.000 0.201 1126 K C 1.692 178.362 176.600 0.117 0.000 1.048 1126 K CA 0.759 57.100 56.287 0.090 0.000 0.956 1126 K CB 0.225 32.759 32.500 0.056 0.000 0.746 1126 K HN 0.338 nan 8.250 nan 0.000 0.461 1127 N N 1.097 119.851 118.700 0.090 0.000 2.124 1127 N HA -0.089 4.651 4.740 0.001 0.000 0.189 1127 N C 1.319 176.896 175.510 0.112 0.000 1.050 1127 N CA 1.048 54.147 53.050 0.082 0.000 0.848 1127 N CB -0.151 38.368 38.487 0.053 0.000 1.027 1127 N HN 0.113 nan 8.380 nan 0.000 0.435 1128 K N 0.994 121.487 120.400 0.156 0.000 2.520 1128 K HA -0.033 4.287 4.320 0.001 0.000 0.197 1128 K C 1.512 178.234 176.600 0.203 0.000 1.044 1128 K CA 0.748 57.147 56.287 0.186 0.000 0.938 1128 K CB 0.042 32.724 32.500 0.304 0.000 0.767 1128 K HN 0.196 nan 8.250 nan 0.000 0.481 1129 A N 0.521 123.543 122.820 0.337 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 1.052 121.528 120.400 0.127 0.000 2.413 1130 D HA 0.100 4.741 4.640 0.001 0.000 0.237 1130 D C 0.436 176.741 176.300 0.008 0.000 1.171 1130 D CA 0.640 54.685 54.000 0.075 0.000 0.839 1130 D CB 0.092 40.938 40.800 0.077 0.000 0.950 1130 D HN 0.519 nan 8.370 nan 0.000 0.499 1134 S N 0.546 116.373 115.700 0.213 0.000 2.525 1134 S HA 0.504 4.975 4.470 0.001 0.000 0.278 1134 S C -0.294 174.422 174.600 0.193 0.000 1.234 1134 S CA -0.170 58.177 58.200 0.245 0.000 1.058 1134 S CB 0.677 64.157 63.200 0.467 0.000 0.983 1134 S HN 0.403 nan 8.310 nan 0.000 0.495 1135 D N 3.969 124.441 120.400 0.121 0.000 2.894 1135 D HA 0.294 4.934 4.640 0.001 0.000 0.273 1135 D C 1.435 177.774 176.300 0.066 0.000 1.328 1135 D CA -0.012 54.040 54.000 0.087 0.000 0.845 1135 D CB 0.630 41.468 40.800 0.064 0.000 1.072 1135 D HN 0.668 nan 8.370 nan 0.000 0.484 1136 A N 0.462 123.321 122.820 0.066 0.000 1.958 1136 A HA -0.145 4.175 4.320 0.001 0.000 0.221 1136 A C 1.070 178.667 177.584 0.020 0.000 1.178 1136 A CA 1.111 53.172 52.037 0.040 0.000 0.642 1136 A CB -0.130 18.884 19.000 0.025 0.000 0.816 1136 A HN 0.412 nan 8.150 nan 0.000 0.453 1137 I N -0.123 120.452 120.570 0.008 0.000 2.560 1137 I HA 0.246 4.416 4.170 0.001 0.000 0.283 1137 I C -2.825 173.306 176.117 0.023 0.000 1.115 1137 I CA -1.898 59.400 61.300 -0.003 0.000 1.066 1137 I CB 2.392 40.359 38.000 -0.055 0.000 1.221 1137 I HN -0.033 nan 8.210 nan 0.000 0.450 1138 P HA 0.349 nan 4.420 nan 0.000 0.271 1138 P C -0.759 176.598 177.300 0.095 0.000 1.226 1138 P CA 0.286 63.431 63.100 0.074 0.000 0.765 1138 P CB 1.166 32.902 31.700 0.060 0.000 0.835 1139 I N 1.743 122.405 120.570 0.153 0.000 2.740 1139 I HA 0.204 4.374 4.170 0.001 0.000 0.303 1139 I C 1.567 177.843 176.117 0.265 0.000 1.044 1139 I CA -0.754 60.665 61.300 0.199 0.000 1.064 1139 I CB 1.742 39.898 38.000 0.260 0.000 1.249 1139 I HN 0.258 nan 8.210 nan 0.000 0.433 1140 D N 2.584 123.168 120.400 0.307 0.000 2.178 1140 D HA -0.177 4.463 4.640 0.001 0.000 0.201 1140 D C 0.633 177.244 176.300 0.518 0.000 0.980 1140 D CA 0.967 55.191 54.000 0.373 0.000 0.842 1140 D CB 0.130 41.174 40.800 0.407 0.000 0.948 1140 D HN 0.330 nan 8.370 nan 0.000 0.472 1141 F N 2.410 122.637 119.950 0.461 0.000 2.571 1141 F HA 0.061 4.588 4.527 0.000 0.000 0.384 1141 F C 0.014 176.060 175.800 0.410 0.000 1.058 1141 F CA -0.276 58.071 58.000 0.578 0.000 1.200 1141 F CB 0.342 39.695 39.000 0.587 0.000 1.077 1141 F HN -0.147 nan 8.300 nan 0.000 0.558 1142 D N 8.939 129.162 120.400 -0.296 0.000 2.469 1142 D HA 0.183 4.824 4.640 0.001 0.000 0.251 1142 D C -2.172 173.657 176.300 -0.785 0.000 1.173 1142 D CA -1.858 51.865 54.000 -0.462 0.000 0.882 1142 D CB 1.897 42.629 40.800 -0.112 0.000 1.129 1142 D HN 0.289 nan 8.370 nan 0.000 0.549 1143 P HA -0.259 nan 4.420 nan 0.000 0.220 1143 P C 0.865 177.822 177.300 -0.571 0.000 1.155 1143 P CA 1.305 63.915 63.100 -0.816 0.000 0.880 1143 P CB -0.170 30.776 31.700 -1.257 0.000 0.790 1144 Y N -0.354 119.689 120.300 -0.429 0.000 2.619 1144 Y HA 0.255 4.806 4.550 0.001 0.000 0.308 1144 Y C 1.709 177.451 175.900 -0.263 0.000 1.192 1144 Y CA 0.061 57.991 58.100 -0.284 0.000 1.319 1144 Y CB -0.774 37.552 38.460 -0.223 0.000 1.030 1144 Y HN 0.022 nan 8.280 nan 0.000 0.517 1145 A N -0.004 122.650 122.820 -0.277 0.000 2.346 1145 A HA 0.645 4.965 4.320 0.001 0.000 0.313 1145 A C -0.456 176.836 177.584 -0.487 0.000 1.140 1145 A CA -1.097 50.765 52.037 -0.292 0.000 0.826 1145 A CB 1.139 20.027 19.000 -0.187 0.000 1.332 1145 A HN 0.158 nan 8.150 nan 0.000 0.457 1146 K N 1.087 121.321 120.400 -0.276 0.000 2.264 1146 K HA 0.551 4.871 4.320 0.001 0.000 0.277 1146 K C -1.482 175.046 176.600 -0.120 0.000 1.067 1146 K CA -0.045 56.118 56.287 -0.206 0.000 0.900 1146 K CB 0.757 33.221 32.500 -0.061 0.000 1.124 1146 K HN 0.543 nan 8.250 nan 0.000 0.469 1147 F N -1.068 118.786 119.950 -0.161 0.000 2.713 1147 F HA 0.521 5.048 4.527 0.001 0.000 0.311 1147 F C -1.284 174.374 175.800 -0.235 0.000 1.141 1147 F CA -1.807 56.000 58.000 -0.322 0.000 0.939 1147 F CB 0.869 39.389 39.000 -0.800 0.000 1.325 1147 F HN 0.194 nan 8.300 nan 0.000 0.453 1148 D N 1.063 121.444 120.400 -0.032 0.000 2.340 1148 D HA 0.541 5.182 4.640 0.001 0.000 0.240 1148 D C -0.872 175.217 176.300 -0.352 0.000 1.001 1148 D CA -0.108 53.813 54.000 -0.132 0.000 0.888 1148 D CB 3.061 43.799 40.800 -0.103 0.000 1.310 1148 D HN 0.348 nan 8.370 nan 0.000 0.474 1149 I N 1.185 121.548 120.570 -0.344 0.000 2.331 1149 I HA 0.071 4.242 4.170 0.001 0.000 0.292 1149 I C 0.494 176.466 176.117 -0.242 0.000 0.998 1149 I CA -0.635 60.426 61.300 -0.399 0.000 1.267 1149 I CB 0.828 38.595 38.000 -0.388 0.000 1.386 1149 I HN 0.337 nan 8.210 nan 0.000 0.476 1150 C N 6.219 125.411 119.300 -0.179 0.000 2.633 1150 C HA 0.333 4.794 4.460 0.001 0.000 0.415 1150 C C 1.624 176.636 174.990 0.037 0.000 1.393 1150 C CA -0.403 58.550 59.018 -0.107 0.000 1.700 1150 C CB -0.916 26.821 27.740 -0.004 0.000 2.541 1150 C HN 0.902 nan 8.230 nan 0.000 0.603 1151 A N 4.157 126.876 122.820 -0.169 0.000 2.291 1151 A HA 0.473 4.794 4.320 0.001 0.000 0.220 1151 A C 1.520 179.369 177.584 0.442 0.000 1.262 1151 A CA 0.998 53.122 52.037 0.146 0.000 0.867 1151 A CB -0.286 18.631 19.000 -0.138 0.000 0.888 1151 A HN 1.392 nan 8.150 nan 0.000 0.487 1152 A N -1.940 121.048 122.820 0.280 0.000 1.933 1152 A HA 0.228 4.548 4.320 0.001 0.000 0.198 1152 A C 1.917 179.292 177.584 -0.350 0.000 1.617 1152 A CA 1.283 53.344 52.037 0.040 0.000 1.039 1152 A CB -0.134 18.963 19.000 0.162 0.000 1.066 1152 A HN 0.324 nan 8.150 nan 0.000 0.484 1153 T N -2.305 112.124 114.554 -0.209 0.000 2.988 1153 T HA 0.187 4.537 4.350 0.001 0.000 0.240 1153 T C 0.272 174.855 174.700 -0.195 0.000 1.014 1153 T CA 1.098 63.072 62.100 -0.210 0.000 1.155 1153 T CB -0.397 68.457 68.868 -0.024 0.000 0.872 1153 T HN 0.570 nan 8.240 nan 0.000 0.440 1154 Y N 1.063 121.374 120.300 0.019 0.000 3.941 1154 Y HA -0.149 4.402 4.550 0.001 0.000 0.240 1154 Y C -0.194 175.726 175.900 0.034 0.000 1.406 1154 Y CA -0.581 57.529 58.100 0.017 0.000 1.974 1154 Y CB -1.485 37.036 38.460 0.101 0.000 1.618 1154 Y HN 0.123 nan 8.280 nan 0.000 0.683 1155 K N 1.550 121.986 120.400 0.059 0.000 2.259 1155 K HA 0.526 4.846 4.320 0.001 0.000 0.249 1155 K C -2.523 173.925 176.600 -0.253 0.000 0.942 1155 K CA -1.768 54.520 56.287 0.003 0.000 0.816 1155 K CB 2.328 34.869 32.500 0.067 0.000 1.155 1155 K HN -0.107 nan 8.250 nan 0.000 0.428 1156 P HA 0.367 nan 4.420 nan 0.000 0.281 1156 P C -0.457 176.636 177.300 -0.345 0.000 1.249 1156 P CA -0.397 62.303 63.100 -0.666 0.000 0.810 1156 P CB 0.896 31.900 31.700 -1.160 0.000 1.008 1157 I N 2.399 122.743 120.570 -0.377 0.000 2.390 1157 I HA 0.258 4.429 4.170 0.001 0.000 0.283 1157 I C 0.054 176.111 176.117 -0.100 0.000 1.016 1157 I CA -0.833 60.397 61.300 -0.116 0.000 1.151 1157 I CB 0.398 38.349 38.000 -0.082 0.000 1.293 1157 I HN 0.250 nan 8.210 nan 0.000 0.458 1158 Y N 3.724 124.087 120.300 0.105 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 -0.584 57.594 58.100 0.131 0.000 1.389 1158 Y CB 0.553 39.085 38.460 0.121 0.000 1.328 1158 Y HN 0.477 nan 8.280 nan 0.000 0.532 1159 E N 0.018 120.347 120.200 0.215 0.000 2.267 1159 E HA -0.211 4.139 4.350 0.001 0.000 0.197 1159 E C 0.830 177.495 176.600 0.109 0.000 0.998 1159 E CA 1.189 57.662 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 0.659 121.141 120.400 0.137 0.000 2.183 1160 D HA -0.040 4.600 4.640 0.001 0.000 0.203 1160 D C 0.393 176.748 176.300 0.091 0.000 0.969 1160 D CA 0.603 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 3.321 117.954 114.554 0.133 0.000 2.928 1161 T HA 0.144 4.494 4.350 0.001 0.000 0.305 1161 T C -2.133 172.614 174.700 0.079 0.000 1.035 1161 T CA -0.868 61.300 62.100 0.114 0.000 1.145 1161 T CB 1.358 70.316 68.868 0.149 0.000 0.963 1161 T HN 0.080 nan 8.240 nan 0.000 0.545 1162 P HA 0.263 nan 4.420 nan 0.000 0.287 1162 P C -0.721 176.614 177.300 0.058 0.000 1.307 1162 P CA -0.466 62.667 63.100 0.054 0.000 0.777 1162 P CB 0.646 32.374 31.700 0.047 0.000 0.883 1163 S N 2.431 118.164 115.700 0.056 0.000 2.677 1163 S HA 0.803 5.273 4.470 0.001 0.000 0.304 1163 S C -0.305 174.338 174.600 0.070 0.000 1.108 1163 S CA -0.782 57.455 58.200 0.063 0.000 0.944 1163 S CB 1.554 64.780 63.200 0.044 0.000 1.127 1163 S HN 0.263 nan 8.310 nan 0.000 0.511 1164 V N -0.218 119.758 119.914 0.103 0.000 2.686 1164 V HA 0.693 4.813 4.120 0.001 0.000 0.306 1164 V C -0.137 176.058 176.094 0.169 0.000 1.065 1164 V CA -0.680 61.691 62.300 0.118 0.000 0.894 1164 V CB 1.013 32.907 31.823 0.118 0.000 1.004 1164 V HN 0.918 nan 8.190 nan 0.000 0.424 1165 S N 1.949 117.723 115.700 0.123 0.000 2.738 1165 S HA 0.633 5.103 4.470 0.001 0.000 0.284 1165 S C -0.676 174.018 174.600 0.158 0.000 1.146 1165 S CA -0.426 57.850 58.200 0.126 0.000 0.997 1165 S CB 1.555 64.794 63.200 0.065 0.000 1.081 1165 S HN 1.089 nan 8.310 nan 0.000 0.553 1166 D N 0.325 120.818 120.400 0.155 0.000 2.425 1166 D HA 0.388 5.028 4.640 0.001 0.000 0.240 1166 D C -1.636 174.719 176.300 0.091 0.000 1.080 1166 D CA -2.171 51.914 54.000 0.141 0.000 0.836 1166 D CB 1.423 42.343 40.800 0.201 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 1.105 178.443 177.300 0.063 0.000 1.147 1167 P CA 0.679 63.816 63.100 0.061 0.000 0.827 1167 P CB 0.470 32.202 31.700 0.053 0.000 0.778 1168 L N -0.757 120.503 121.223 0.063 0.000 2.194 1168 L HA 0.098 4.438 4.340 0.001 0.000 0.197 1168 L C 2.428 179.326 176.870 0.047 0.000 1.106 1168 L CA 2.167 57.038 54.840 0.051 0.000 0.785 1168 L CB -1.426 40.663 42.059 0.049 0.000 0.960 1168 L HN -0.186 nan 8.230 nan 0.000 0.465 1169 T N -0.283 114.301 114.554 0.051 0.000 2.737 1169 T HA 0.105 4.455 4.350 0.001 0.000 0.265 1169 T C 1.307 176.029 174.700 0.037 0.000 1.038 1169 T CA 1.558 63.681 62.100 0.039 0.000 1.144 1169 T CB -0.619 68.281 68.868 0.054 0.000 0.866 1169 T HN 0.705 nan 8.240 nan 0.000 0.434 1170 G N 1.110 109.940 108.800 0.049 0.000 2.179 1170 G HA2 -0.241 3.720 3.960 0.001 0.000 0.220 1170 G HA3 -0.241 3.720 3.960 0.001 0.000 0.220 1170 G C 0.285 175.178 174.900 -0.011 0.000 0.990 1170 G CA 0.085 45.201 45.100 0.026 0.000 0.646 1170 G HN 0.685 nan 8.290 nan 0.000 0.517 1171 S N 0.546 116.238 115.700 -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 -0.155 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 4.911 4.320 0.001 0.000 0.255 1172 K C -1.376 174.858 176.600 -0.609 0.000 0.941 1172 K CA -0.505 55.586 56.287 -0.327 0.000 0.825 1172 K CB 1.295 33.700 32.500 -0.158 0.000 1.119 1172 K HN 0.605 nan 8.250 nan 0.000 0.430 1173 Y N -0.802 119.501 120.300 0.006 0.000 2.669 1173 Y HA 0.314 4.864 4.550 0.001 0.000 0.335 1173 Y C -0.001 175.901 175.900 0.004 0.000 1.116 1173 Y CA -1.456 56.646 58.100 0.003 0.000 1.081 1173 Y CB 0.740 39.203 38.460 0.004 0.000 1.297 1173 Y HN 0.291 nan 8.280 nan 0.000 0.484 1174 V N 0.539 120.572 119.914 0.197 0.000 2.811 1174 V HA 0.085 4.206 4.120 0.001 0.000 0.302 1174 V C 1.059 177.213 176.094 0.100 0.000 1.063 1174 V CA -0.566 61.801 62.300 0.112 0.000 1.088 1174 V CB 0.336 32.210 31.823 0.084 0.000 0.982 1174 V HN 0.775 nan 8.190 nan 0.000 0.485 1175 I N 2.745 123.358 120.570 0.072 0.000 2.381 1175 I HA -0.210 3.960 4.170 0.001 0.000 0.255 1175 I C 2.486 178.624 176.117 0.035 0.000 1.140 1175 I CA 1.879 63.211 61.300 0.053 0.000 1.404 1175 I CB -1.880 36.145 38.000 0.042 0.000 1.075 1175 I HN 0.948 nan 8.210 nan 0.000 0.433 1176 T N 0.966 115.540 114.554 0.034 0.000 2.592 1176 T HA -0.228 4.122 4.350 0.001 0.000 0.267 1176 T C 0.998 175.695 174.700 -0.004 0.000 1.060 1176 T CA 1.399 63.508 62.100 0.016 0.000 1.167 1176 T CB -0.285 68.593 68.868 0.018 0.000 0.863 1176 T HN 0.461 nan 8.240 nan 0.000 0.431 1177 E N 1.905 122.097 120.200 -0.013 0.000 2.201 1177 E HA 0.226 4.576 4.350 0.001 0.000 0.272 1177 E C -0.163 176.383 176.600 -0.091 0.000 1.228 1177 E CA -0.212 56.144 56.400 -0.073 0.000 1.305 1177 E CB 0.442 30.057 29.700 -0.142 0.000 1.381 1177 E HN 0.362 nan 8.360 nan 0.000 0.475 1178 K N 1.046 121.419 120.400 -0.046 0.000 2.106 1178 K HA 0.076 4.396 4.320 0.001 0.000 0.246 1178 K C -0.027 176.544 176.600 -0.048 0.000 0.987 1178 K CA -0.347 55.919 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 0.683 121.059 120.400 -0.039 0.000 2.955 1179 D HA -0.183 4.457 4.640 0.001 0.000 0.226 1179 D C -0.887 175.382 176.300 -0.051 0.000 1.178 1179 D CA 1.274 55.253 54.000 -0.035 0.000 0.808 1179 D CB -0.546 40.242 40.800 -0.021 0.000 1.099 1179 D HN 0.519 nan 8.370 nan 0.000 0.421 1180 K N -0.506 119.842 120.400 -0.087 0.000 2.258 1180 K HA 0.586 4.906 4.320 0.001 0.000 0.236 1180 K C 0.336 176.869 176.600 -0.111 0.000 1.008 1180 K CA -1.133 55.095 56.287 -0.099 0.000 0.869 1180 K CB 1.054 33.475 32.500 -0.132 0.000 1.171 1180 K HN -0.146 nan 8.250 nan 0.000 0.447 1181 I N 0.614 121.131 120.570 -0.088 0.000 2.496 1181 I HA -0.008 4.163 4.170 0.001 0.000 0.285 1181 I C 0.497 176.556 176.117 -0.096 0.000 1.080 1181 I CA -0.445 60.818 61.300 -0.061 0.000 1.404 1181 I CB -0.152 37.832 38.000 -0.025 0.000 1.403 1181 I HN 0.463 nan 8.210 nan 0.000 0.539 1182 D N 6.297 126.665 120.400 -0.053 0.000 2.414 1182 D HA 0.012 4.652 4.640 0.001 0.000 0.242 1182 D C 0.374 176.719 176.300 0.074 0.000 1.129 1182 D CA -0.510 53.480 54.000 -0.016 0.000 0.885 1182 D CB 1.060 41.939 40.800 0.133 0.000 1.198 1182 D HN 0.411 nan 8.370 nan 0.000 0.437 1183 R N 2.310 122.903 120.500 0.154 0.000 2.323 1183 R HA 0.080 4.420 4.340 0.001 0.000 0.198 1183 R C 1.380 177.783 176.300 0.171 0.000 0.988 1183 R CA -0.128 56.070 56.100 0.164 0.000 1.041 1183 R CB -0.519 29.907 30.300 0.210 0.000 0.926 1183 R HN 0.588 nan 8.270 nan 0.000 0.476 1184 I N 0.035 120.710 120.570 0.175 0.000 2.272 1184 I HA 0.054 4.224 4.170 0.001 0.000 0.235 1184 I C 1.167 177.333 176.117 0.082 0.000 1.071 1184 I CA 0.762 62.133 61.300 0.118 0.000 1.374 1184 I CB -0.845 37.210 38.000 0.091 0.000 1.121 1184 I HN 0.009 nan 8.210 nan 0.000 0.420 1188 S N 2.345 118.088 115.700 0.072 0.000 2.690 1188 S HA 0.546 5.016 4.470 0.001 0.000 0.291 1188 S C -0.254 174.362 174.600 0.028 0.000 1.138 1188 S CA -0.497 57.733 58.200 0.050 0.000 1.013 1188 S CB 2.703 65.938 63.200 0.058 0.000 1.053 1188 S HN 0.228 nan 8.310 nan 0.000 0.539 1189 K N 1.393 121.804 120.400 0.018 0.000 2.276 1189 K HA 0.352 4.672 4.320 0.001 0.000 0.285 1189 K C -0.508 176.092 176.600 -0.001 0.000 1.062 1189 K CA -0.548 55.738 56.287 -0.002 0.000 0.918 1189 K CB 0.139 32.639 32.500 -0.000 0.000 1.055 1189 K HN 0.660 nan 8.250 nan 0.000 0.477 1190 I N 4.467 125.016 120.570 -0.035 0.000 2.618 1190 I HA -0.018 4.153 4.170 0.001 0.000 0.284 1190 I C 1.409 177.525 176.117 -0.002 0.000 1.146 1190 I CA 1.066 62.350 61.300 -0.028 0.000 1.425 1190 I CB 0.549 38.453 38.000 -0.159 0.000 1.383 1190 I HN 1.128 nan 8.210 nan 0.000 0.562 1191 G N 4.318 113.138 108.800 0.034 0.000 2.729 1191 G HA2 -0.274 3.687 3.960 0.001 0.000 0.216 1191 G HA3 -0.274 3.687 3.960 0.001 0.000 0.216 1191 G C 0.611 175.527 174.900 0.027 0.000 1.252 1191 G CA -0.051 45.068 45.100 0.031 0.000 0.751 1191 G HN 1.039 nan 8.290 nan 0.000 0.527 1192 A N 2.829 125.661 122.820 0.019 0.000 2.639 1192 A HA 0.447 4.767 4.320 0.001 0.000 0.229 1192 A C -1.100 176.500 177.584 0.026 0.000 1.062 1192 A CA 1.148 53.197 52.037 0.020 0.000 0.761 1192 A CB -0.244 18.767 19.000 0.018 0.000 0.988 1192 A HN 0.719 nan 8.150 nan 0.000 0.510 1193 P HA 0.571 nan 4.420 nan 0.000 0.298 1193 P C -0.915 176.402 177.300 0.028 0.000 1.314 1193 P CA -0.154 62.962 63.100 0.026 0.000 0.854 1193 P CB 1.809 33.522 31.700 0.023 0.000 1.019 1194 A N 1.909 124.748 122.820 0.031 0.000 2.374 1194 A HA 0.497 4.817 4.320 0.001 0.000 0.317 1194 A C 1.172 178.774 177.584 0.031 0.000 1.094 1194 A CA -0.306 51.751 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 0.877 116.595 115.700 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 0.744 58.960 58.200 0.027 0.000 0.934 1195 S CB -0.448 62.768 63.200 0.026 0.000 0.771 1195 S HN 2.678 nan 8.310 nan 0.000 0.522 1196 G N 0.570 109.393 108.800 0.038 0.000 2.764 1196 G HA2 0.154 4.115 3.960 0.001 0.000 0.678 1196 G HA3 0.154 4.115 3.960 0.001 0.000 0.678 1196 G C -0.992 173.941 174.900 0.056 0.000 1.341 1196 G CA -0.603 44.526 45.100 0.049 0.000 0.836 1196 G HN 0.807 nan 8.290 nan 0.000 0.632 1197 L N 2.432 123.700 121.223 0.076 0.000 2.597 1197 L HA 0.496 4.836 4.340 0.001 0.000 0.271 1197 L C 0.975 177.876 176.870 0.051 0.000 1.157 1197 L CA 0.198 55.072 54.840 0.057 0.000 0.928 1197 L CB -0.144 41.945 42.059 0.050 0.000 1.216 1197 L HN 0.521 nan 8.230 nan 0.000 0.481 1198 R N 5.940 126.455 120.500 0.025 0.000 2.297 1198 R HA 0.458 4.798 4.340 0.001 0.000 0.308 1198 R C 0.210 176.506 176.300 -0.006 0.000 1.029 1198 R CA -0.242 55.869 56.100 0.019 0.000 0.929 1198 R CB 1.179 31.489 30.300 0.016 0.000 1.046 1198 R HN 0.820 nan 8.270 nan 0.000 0.461 1199 I N 0.421 120.988 120.570 -0.005 0.000 5.183 1199 I HA 0.065 4.235 4.170 0.001 0.000 0.343 1199 I C 0.575 176.681 176.117 -0.018 0.000 1.230 1199 I CA -0.246 61.037 61.300 -0.029 0.000 1.473 1199 I CB 0.507 38.476 38.000 -0.051 0.000 1.569 1199 I HN 0.373 nan 8.210 nan 0.000 0.544 1200 R N 2.561 123.063 120.500 0.003 0.000 2.438 1200 R HA 0.380 4.720 4.340 0.001 0.000 0.287 1200 R C -0.060 176.243 176.300 0.005 0.000 1.077 1200 R CA -0.163 55.942 56.100 0.008 0.000 1.034 1200 R CB 0.990 31.301 30.300 0.019 0.000 0.993 1200 R HN -0.133 nan 8.270 nan 0.000 0.459 1201 V N 0.000 119.918 119.914 0.007 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 0.009 0.000 1.235 1201 V CB 0.000 31.837 31.823 0.024 0.000 1.184 1201 V HN 0.000 nan 8.190 nan 0.000 0.556