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 1m8x_1_A DATA FIRST_RESID 828 DATA SEQUENCE GRSRLLEDFR NNRYPNLQLR EIAGHIMEFS QDQHGSRFIQ LKLERATPAE DATA SEQUENCE RQLVFNEILQ AAYQLMVDVF GNYVIQKFFE FGSLEQKLAL AERIRGHVLS DATA SEQUENCE LALQMYGCRV IQKALEFIPS DQQNEMVREL DGHVLKCVKD QNGNHVVQKC DATA SEQUENCE IECVQPQSLQ FIIDAFKGQV FALSTHPYGC RVIQRILEHC LPDQTLPILE DATA SEQUENCE ELHQHTEQLV QDQYGNYVIQ HVLEHGRPED KSKIVAEIRG NVLVLSQHKF DATA SEQUENCE ASNVVEKCVT HASRTERAVL IDEVCTMNDG PHSALYTMMK DQYANYVVQK DATA SEQUENCE MIDVAEPGQR KIVMHKIRPH IATLRKYTYG KHILAKLEKY Y 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 828 G HA2 0.000 nan 3.960 nan 0.000 0.244 828 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 828 G C 0.000 174.919 174.900 0.031 0.000 0.946 828 G CA 0.000 45.116 45.100 0.027 0.000 0.502 829 R N 1.201 121.715 120.500 0.023 0.000 2.543 829 R HA 0.636 4.976 4.340 0.001 0.000 0.268 829 R C 0.390 176.715 176.300 0.041 0.000 1.067 829 R CA 0.241 56.354 56.100 0.021 0.000 1.142 829 R CB 1.337 31.631 30.300 -0.009 0.000 1.110 829 R HN 0.388 nan 8.270 nan 0.000 0.549 830 S N 0.023 115.762 115.700 0.064 0.000 2.713 830 S HA 0.277 4.747 4.470 0.001 0.000 0.283 830 S C 1.043 175.680 174.600 0.061 0.000 1.161 830 S CA -0.908 57.349 58.200 0.096 0.000 0.999 830 S CB 1.815 65.138 63.200 0.206 0.000 1.039 830 S HN 0.484 nan 8.310 nan 0.000 0.548 831 R N -0.235 120.307 120.500 0.070 0.000 2.097 831 R HA -0.087 4.253 4.340 0.001 0.000 0.236 831 R C 2.116 178.451 176.300 0.057 0.000 1.135 831 R CA 1.731 57.865 56.100 0.056 0.000 0.934 831 R CB -1.797 28.543 30.300 0.066 0.000 0.846 831 R HN 0.753 nan 8.270 nan 0.000 0.431 832 L N 0.963 122.194 121.223 0.013 0.000 1.956 832 L HA -0.214 4.126 4.340 0.001 0.000 0.216 832 L C 2.361 179.272 176.870 0.069 0.000 1.073 832 L CA 1.747 56.570 54.840 -0.029 0.000 0.762 832 L CB -1.031 40.780 42.059 -0.413 0.000 0.889 832 L HN 0.220 nan 8.230 nan 0.000 0.433 833 L N -0.432 120.794 121.223 0.006 0.000 2.042 833 L HA -0.228 4.112 4.340 0.001 0.000 0.210 833 L C 2.449 179.295 176.870 -0.041 0.000 1.076 833 L CA 2.059 56.809 54.840 -0.150 0.000 0.749 833 L CB -0.929 40.970 42.059 -0.266 0.000 0.893 833 L HN 0.458 nan 8.230 nan 0.000 0.432 834 E N -0.014 120.178 120.200 -0.013 0.000 2.049 834 E HA -0.245 4.105 4.350 0.001 0.000 0.198 834 E C 1.892 178.486 176.600 -0.011 0.000 1.007 834 E CA 1.956 58.343 56.400 -0.022 0.000 0.809 834 E CB -0.310 29.387 29.700 -0.006 0.000 0.749 834 E HN 0.570 nan 8.360 nan 0.000 0.450 835 D N -0.748 119.687 120.400 0.058 0.000 2.218 835 D HA -0.152 4.488 4.640 0.001 0.000 0.204 835 D C 1.701 178.056 176.300 0.091 0.000 0.976 835 D CA 0.636 54.669 54.000 0.055 0.000 0.853 835 D CB -0.337 40.539 40.800 0.126 0.000 0.939 835 D HN 0.235 nan 8.370 nan 0.000 0.481 836 F N 1.972 121.947 119.950 0.041 0.000 2.186 836 F HA -0.050 4.478 4.527 0.000 0.000 0.299 836 F C 2.204 177.925 175.800 -0.131 0.000 1.090 836 F CA 1.129 59.133 58.000 0.007 0.000 1.307 836 F CB 0.020 38.975 39.000 -0.074 0.000 1.019 836 F HN -0.230 nan 8.300 nan 0.000 0.489 837 R N 0.035 120.345 120.500 -0.317 0.000 2.075 837 R HA -0.127 4.213 4.340 0.001 0.000 0.232 837 R C 1.293 177.341 176.300 -0.419 0.000 1.126 837 R CA 1.435 57.233 56.100 -0.503 0.000 0.963 837 R CB -0.697 29.384 30.300 -0.366 0.000 0.858 837 R HN 0.192 nan 8.270 nan 0.000 0.435 838 N N 1.344 119.885 118.700 -0.265 0.000 2.617 838 N HA -0.052 4.688 4.740 0.001 0.000 0.198 838 N C -0.797 174.581 175.510 -0.220 0.000 1.317 838 N CA 0.324 53.249 53.050 -0.208 0.000 0.892 838 N CB -0.477 37.924 38.487 -0.144 0.000 1.041 838 N HN 0.160 nan 8.380 nan 0.000 0.450 839 N N -0.575 117.946 118.700 -0.299 0.000 2.667 839 N HA -0.244 4.496 4.740 0.001 0.000 0.263 839 N C 0.727 176.122 175.510 -0.191 0.000 1.038 839 N CA 0.374 53.269 53.050 -0.259 0.000 0.749 839 N CB -0.541 37.825 38.487 -0.202 0.000 0.892 839 N HN 0.403 nan 8.380 nan 0.000 0.546 840 R N -0.320 120.058 120.500 -0.205 0.000 2.250 840 R HA 0.135 4.475 4.340 0.001 0.000 0.194 840 R C -0.397 175.679 176.300 -0.374 0.000 0.927 840 R CA 0.468 56.379 56.100 -0.314 0.000 1.052 840 R CB 0.413 30.449 30.300 -0.440 0.000 1.055 840 R HN 0.315 nan 8.270 nan 0.000 0.537 841 Y N 1.408 121.719 120.300 0.017 0.000 2.960 841 Y HA 0.323 4.874 4.550 0.000 0.000 0.343 841 Y C -1.735 174.222 175.900 0.095 0.000 1.106 841 Y CA -2.517 55.624 58.100 0.070 0.000 1.221 841 Y CB 1.450 39.980 38.460 0.117 0.000 1.232 841 Y HN 0.101 nan 8.280 nan 0.000 0.577 842 P HA -0.063 nan 4.420 nan 0.000 0.230 842 P C 0.015 177.423 177.300 0.180 0.000 1.158 842 P CA 1.135 64.314 63.100 0.133 0.000 0.769 842 P CB 0.633 32.367 31.700 0.057 0.000 0.807 843 N N -0.253 118.564 118.700 0.194 0.000 2.282 843 N HA 0.108 4.848 4.740 0.001 0.000 0.240 843 N C 0.207 175.837 175.510 0.200 0.000 1.182 843 N CA -0.443 52.712 53.050 0.175 0.000 0.874 843 N CB 0.435 38.995 38.487 0.122 0.000 1.126 843 N HN 0.123 nan 8.380 nan 0.000 0.516 844 L N 2.039 123.411 121.223 0.249 0.000 2.540 844 L HA -0.019 4.321 4.340 0.001 0.000 0.276 844 L C 0.250 177.296 176.870 0.293 0.000 1.212 844 L CA 0.841 55.766 54.840 0.142 0.000 0.893 844 L CB 0.422 42.442 42.059 -0.065 0.000 1.138 844 L HN 0.035 nan 8.230 nan 0.000 0.491 845 Q N 3.515 123.418 119.800 0.171 0.000 2.333 845 Q HA 0.314 4.655 4.340 0.001 0.000 0.266 845 Q C 0.949 177.042 176.000 0.156 0.000 1.053 845 Q CA -0.750 55.160 55.803 0.178 0.000 0.890 845 Q CB 1.391 30.163 28.738 0.058 0.000 1.337 845 Q HN 0.695 nan 8.270 nan 0.000 0.474 846 L N 0.468 121.728 121.223 0.062 0.000 1.970 846 L HA -0.194 4.147 4.340 0.001 0.000 0.212 846 L C 2.293 179.143 176.870 -0.034 0.000 1.071 846 L CA 1.485 56.333 54.840 0.013 0.000 0.751 846 L CB -0.311 41.720 42.059 -0.047 0.000 0.889 846 L HN 0.532 nan 8.230 nan 0.000 0.432 847 R N 0.032 120.513 120.500 -0.033 0.000 2.139 847 R HA -0.216 4.124 4.340 0.001 0.000 0.243 847 R C 1.928 178.186 176.300 -0.070 0.000 1.145 847 R CA 1.449 57.524 56.100 -0.042 0.000 0.976 847 R CB -0.416 29.867 30.300 -0.028 0.000 0.866 847 R HN 0.527 nan 8.270 nan 0.000 0.449 848 E N 0.698 120.841 120.200 -0.094 0.000 2.409 848 E HA -0.110 4.240 4.350 0.001 0.000 0.198 848 E C 1.413 177.867 176.600 -0.244 0.000 1.024 848 E CA 0.761 57.066 56.400 -0.158 0.000 0.861 848 E CB 0.042 29.627 29.700 -0.191 0.000 0.788 848 E HN 0.543 nan 8.360 nan 0.000 0.521 849 I N -2.852 117.549 120.570 -0.281 0.000 3.889 849 I HA 0.368 4.538 4.170 0.001 0.000 0.332 849 I C 0.450 176.461 176.117 -0.177 0.000 1.493 849 I CA -0.760 60.291 61.300 -0.414 0.000 1.158 849 I CB 0.351 37.760 38.000 -0.985 0.000 1.117 849 I HN -0.254 nan 8.210 nan 0.000 0.411 850 A N 1.566 124.331 122.820 -0.092 0.000 2.546 850 A HA 0.431 4.751 4.320 0.001 0.000 0.243 850 A C 1.552 179.106 177.584 -0.051 0.000 1.063 850 A CA 0.864 52.866 52.037 -0.058 0.000 0.757 850 A CB -0.485 18.488 19.000 -0.045 0.000 0.991 850 A HN 1.217 nan 8.150 nan 0.000 0.503 851 G N 1.267 110.005 108.800 -0.104 0.000 2.195 851 G HA2 -0.200 3.760 3.960 0.001 0.000 0.246 851 G HA3 -0.200 3.760 3.960 0.001 0.000 0.246 851 G C 0.410 175.085 174.900 -0.374 0.000 0.984 851 G CA 0.570 45.536 45.100 -0.223 0.000 0.633 851 G HN 1.054 nan 8.290 nan 0.000 0.525 852 H N -0.245 118.779 119.070 -0.077 0.000 2.767 852 H HA 0.275 4.831 4.556 0.001 0.000 0.260 852 H C 2.095 177.429 175.328 0.010 0.000 1.172 852 H CA -0.070 55.972 56.048 -0.010 0.000 1.048 852 H CB 0.288 30.026 29.762 -0.040 0.000 1.697 852 H HN 0.292 nan 8.280 nan 0.000 0.606 853 I N 0.572 121.167 120.570 0.043 0.000 2.142 853 I HA -0.247 3.924 4.170 0.001 0.000 0.240 853 I C 2.379 178.579 176.117 0.139 0.000 1.078 853 I CA 1.129 62.466 61.300 0.063 0.000 1.343 853 I CB -0.551 37.464 38.000 0.025 0.000 1.046 853 I HN 0.217 nan 8.210 nan 0.000 0.405 854 M N 0.148 119.803 119.600 0.092 0.000 2.108 854 M HA -0.227 4.254 4.480 0.001 0.000 0.261 854 M C 2.222 178.607 176.300 0.142 0.000 1.066 854 M CA 1.538 56.893 55.300 0.092 0.000 1.107 854 M CB -1.191 31.435 32.600 0.043 0.000 1.356 854 M HN 0.355 nan 8.290 nan 0.000 0.406 855 E N -0.327 119.984 120.200 0.186 0.000 2.077 855 E HA -0.193 4.158 4.350 0.001 0.000 0.193 855 E C 1.907 178.624 176.600 0.196 0.000 0.989 855 E CA 1.202 57.718 56.400 0.193 0.000 0.800 855 E CB -0.035 29.813 29.700 0.247 0.000 0.746 855 E HN 0.322 nan 8.360 nan 0.000 0.452 856 F N 0.837 120.817 119.950 0.050 0.000 2.186 856 F HA -0.103 4.424 4.527 0.000 0.000 0.299 856 F C 2.706 178.544 175.800 0.062 0.000 1.090 856 F CA 1.130 59.143 58.000 0.022 0.000 1.307 856 F CB -0.423 38.562 39.000 -0.026 0.000 1.019 856 F HN -0.000 nan 8.300 nan 0.000 0.489 857 S N -0.710 115.149 115.700 0.265 0.000 2.399 857 S HA -0.190 4.281 4.470 0.001 0.000 0.231 857 S C 1.516 176.228 174.600 0.186 0.000 1.022 857 S CA 1.045 59.370 58.200 0.208 0.000 0.983 857 S CB -0.370 62.936 63.200 0.176 0.000 0.803 857 S HN 0.472 nan 8.310 nan 0.000 0.480 858 Q N 0.634 120.528 119.800 0.158 0.000 2.228 858 Q HA 0.197 4.538 4.340 0.001 0.000 0.211 858 Q C -0.427 175.673 176.000 0.167 0.000 0.890 858 Q CA 0.051 55.954 55.803 0.166 0.000 0.953 858 Q CB 0.158 28.968 28.738 0.121 0.000 1.053 858 Q HN 0.356 nan 8.270 nan 0.000 0.471 859 D N 0.677 121.125 120.400 0.080 0.000 2.502 859 D HA 0.020 4.661 4.640 0.001 0.000 0.249 859 D C 0.412 176.504 176.300 -0.347 0.000 1.092 859 D CA -0.187 53.780 54.000 -0.054 0.000 0.839 859 D CB 1.641 42.384 40.800 -0.095 0.000 1.264 859 D HN 0.032 nan 8.370 nan 0.000 0.511 860 Q N 2.786 122.049 119.800 -0.895 0.000 2.082 860 Q HA -0.295 4.045 4.340 0.001 0.000 0.211 860 Q C 0.778 176.267 176.000 -0.852 0.000 1.002 860 Q CA 2.135 56.868 55.803 -1.782 0.000 0.868 860 Q CB 0.036 27.845 28.738 -1.548 0.000 0.931 860 Q HN 0.647 nan 8.270 nan 0.000 0.414 861 H N -1.521 117.353 119.070 -0.326 0.000 2.403 861 H HA 0.088 4.644 4.556 0.000 0.000 0.298 861 H C 1.913 177.338 175.328 0.162 0.000 1.059 861 H CA 1.058 57.081 56.048 -0.041 0.000 1.363 861 H CB -0.544 29.211 29.762 -0.012 0.000 1.410 861 H HN 0.455 nan 8.280 nan 0.000 0.528 862 G N -0.202 108.671 108.800 0.122 0.000 2.459 862 G HA2 -0.329 3.631 3.960 0.001 0.000 0.217 862 G HA3 -0.329 3.631 3.960 0.001 0.000 0.217 862 G C 1.997 177.039 174.900 0.236 0.000 1.183 862 G CA 1.189 46.334 45.100 0.073 0.000 0.776 862 G HN 0.453 nan 8.290 nan 0.000 0.552 863 S N -0.009 115.753 115.700 0.105 0.000 2.359 863 S HA -0.166 4.305 4.470 0.001 0.000 0.223 863 S C 2.563 177.219 174.600 0.093 0.000 1.039 863 S CA 1.540 59.814 58.200 0.122 0.000 1.042 863 S CB -0.291 62.977 63.200 0.112 0.000 0.915 863 S HN 0.295 nan 8.310 nan 0.000 0.439 864 R N -0.057 120.451 120.500 0.013 0.000 2.112 864 R HA -0.137 4.203 4.340 0.001 0.000 0.242 864 R C 2.053 178.423 176.300 0.117 0.000 1.137 864 R CA 1.852 57.960 56.100 0.014 0.000 0.944 864 R CB -1.515 28.774 30.300 -0.018 0.000 0.857 864 R HN 0.609 nan 8.270 nan 0.000 0.435 865 F N 1.433 121.441 119.950 0.097 0.000 2.043 865 F HA -0.222 4.306 4.527 0.001 0.000 0.297 865 F C 2.339 178.162 175.800 0.038 0.000 1.121 865 F CA 1.580 59.646 58.000 0.109 0.000 1.199 865 F CB -0.518 38.542 39.000 0.101 0.000 0.968 865 F HN -0.093 nan 8.300 nan 0.000 0.478 866 I N 0.173 120.787 120.570 0.074 0.000 2.163 866 I HA -0.377 3.794 4.170 0.001 0.000 0.243 866 I C 2.489 178.536 176.117 -0.117 0.000 1.085 866 I CA 1.746 63.011 61.300 -0.058 0.000 1.347 866 I CB -0.804 37.269 38.000 0.121 0.000 1.044 866 I HN 0.311 nan 8.210 nan 0.000 0.408 867 Q N 0.504 120.286 119.800 -0.029 0.000 2.096 867 Q HA -0.186 4.155 4.340 0.001 0.000 0.208 867 Q C 1.569 177.507 176.000 -0.102 0.000 0.993 867 Q CA 1.387 57.175 55.803 -0.025 0.000 0.862 867 Q CB -0.209 28.543 28.738 0.023 0.000 0.915 867 Q HN 0.529 nan 8.270 nan 0.000 0.416 868 L N 0.618 121.756 121.223 -0.141 0.000 2.862 868 L HA 0.082 4.422 4.340 0.001 0.000 0.240 868 L C 1.030 177.747 176.870 -0.256 0.000 1.283 868 L CA 0.043 54.780 54.840 -0.172 0.000 1.117 868 L CB 0.050 42.038 42.059 -0.119 0.000 1.444 868 L HN 0.096 nan 8.230 nan 0.000 0.456 869 K N -0.661 119.564 120.400 -0.292 0.000 2.665 869 K HA 0.240 4.560 4.320 0.001 0.000 0.197 869 K C 1.720 178.159 176.600 -0.269 0.000 1.463 869 K CA 0.137 56.236 56.287 -0.313 0.000 1.107 869 K CB 0.300 32.541 32.500 -0.432 0.000 1.584 869 K HN 0.184 nan 8.250 nan 0.000 0.558 870 L N 1.771 122.834 121.223 -0.267 0.000 2.079 870 L HA -0.140 4.200 4.340 0.001 0.000 0.210 870 L C 2.450 179.116 176.870 -0.340 0.000 1.081 870 L CA 1.503 56.168 54.840 -0.291 0.000 0.752 870 L CB -0.215 41.635 42.059 -0.349 0.000 0.896 870 L HN 0.311 nan 8.230 nan 0.000 0.433 871 E N 0.326 120.252 120.200 -0.456 0.000 2.051 871 E HA -0.200 4.150 4.350 0.001 0.000 0.192 871 E C 2.151 178.463 176.600 -0.481 0.000 0.991 871 E CA 1.159 57.093 56.400 -0.776 0.000 0.799 871 E CB 0.183 29.335 29.700 -0.913 0.000 0.748 871 E HN 0.390 nan 8.360 nan 0.000 0.449 872 R N -0.218 120.085 120.500 -0.328 0.000 2.334 872 R HA 0.276 4.617 4.340 0.001 0.000 0.212 872 R C 0.564 176.762 176.300 -0.170 0.000 0.897 872 R CA 0.078 56.044 56.100 -0.222 0.000 1.056 872 R CB 0.662 30.854 30.300 -0.182 0.000 1.046 872 R HN 0.025 nan 8.270 nan 0.000 0.513 873 A N 1.113 123.824 122.820 -0.180 0.000 2.409 873 A HA 0.105 4.425 4.320 0.001 0.000 0.246 873 A C 0.458 177.981 177.584 -0.102 0.000 1.099 873 A CA 0.176 52.133 52.037 -0.134 0.000 0.789 873 A CB 0.299 19.215 19.000 -0.140 0.000 1.053 873 A HN 0.132 nan 8.150 nan 0.000 0.503 874 T N -0.536 113.976 114.554 -0.070 0.000 2.899 874 T HA 0.403 4.753 4.350 0.001 0.000 0.284 874 T C -1.712 172.967 174.700 -0.034 0.000 1.004 874 T CA -1.415 60.656 62.100 -0.049 0.000 1.043 874 T CB 0.646 69.493 68.868 -0.035 0.000 1.013 874 T HN 0.318 nan 8.240 nan 0.000 0.518 875 P HA -0.046 nan 4.420 nan 0.000 0.217 875 P C 1.161 178.466 177.300 0.008 0.000 1.148 875 P CA 1.372 64.467 63.100 -0.009 0.000 0.828 875 P CB -0.051 31.642 31.700 -0.012 0.000 0.783 876 A N -0.218 122.603 122.820 0.002 0.000 1.873 876 A HA -0.209 4.111 4.320 0.001 0.000 0.215 876 A C 2.144 179.741 177.584 0.022 0.000 1.186 876 A CA 1.535 53.579 52.037 0.011 0.000 0.616 876 A CB -1.142 17.859 19.000 0.001 0.000 0.823 876 A HN 0.155 nan 8.150 nan 0.000 0.442 877 E N -0.641 119.563 120.200 0.007 0.000 2.110 877 E HA -0.177 4.173 4.350 0.001 0.000 0.193 877 E C 2.304 178.931 176.600 0.046 0.000 0.988 877 E CA 1.014 57.418 56.400 0.007 0.000 0.804 877 E CB -0.128 29.556 29.700 -0.027 0.000 0.745 877 E HN 0.497 nan 8.360 nan 0.000 0.458 878 R N 0.252 120.786 120.500 0.057 0.000 2.115 878 R HA -0.134 4.206 4.340 0.001 0.000 0.226 878 R C 2.341 178.825 176.300 0.306 0.000 1.100 878 R CA 1.108 57.298 56.100 0.151 0.000 0.980 878 R CB -0.006 30.338 30.300 0.073 0.000 0.875 878 R HN 0.016 nan 8.270 nan 0.000 0.445 879 Q N 0.992 120.900 119.800 0.180 0.000 2.123 879 Q HA -0.089 4.251 4.340 0.001 0.000 0.199 879 Q C 1.863 177.967 176.000 0.173 0.000 0.966 879 Q CA 1.271 57.179 55.803 0.175 0.000 0.845 879 Q CB -0.200 28.587 28.738 0.082 0.000 0.907 879 Q HN 0.358 nan 8.270 nan 0.000 0.439 880 L N -0.748 120.544 121.223 0.116 0.000 2.083 880 L HA -0.143 4.197 4.340 0.001 0.000 0.209 880 L C 1.867 178.790 176.870 0.087 0.000 1.083 880 L CA 1.076 55.960 54.840 0.073 0.000 0.752 880 L CB -0.143 41.939 42.059 0.038 0.000 0.899 880 L HN 0.144 nan 8.230 nan 0.000 0.433 881 V N -0.731 119.279 119.914 0.160 0.000 2.379 881 V HA -0.288 3.833 4.120 0.001 0.000 0.245 881 V C 2.145 178.331 176.094 0.153 0.000 1.044 881 V CA 1.883 64.298 62.300 0.192 0.000 1.036 881 V CB -0.639 31.373 31.823 0.315 0.000 0.664 881 V HN 0.460 nan 8.190 nan 0.000 0.453 882 F N 1.702 121.667 119.950 0.026 0.000 2.095 882 F HA -0.248 4.279 4.527 0.001 0.000 0.298 882 F C 2.236 177.913 175.800 -0.205 0.000 1.104 882 F CA 2.305 60.112 58.000 -0.322 0.000 1.232 882 F CB -0.424 38.366 39.000 -0.350 0.000 0.987 882 F HN 0.228 nan 8.300 nan 0.000 0.475 883 N N -0.182 118.481 118.700 -0.061 0.000 2.137 883 N HA -0.235 4.505 4.740 0.001 0.000 0.190 883 N C 1.347 176.745 175.510 -0.187 0.000 1.017 883 N CA 1.577 54.562 53.050 -0.108 0.000 0.859 883 N CB -0.242 38.237 38.487 -0.012 0.000 1.002 883 N HN 0.484 nan 8.380 nan 0.000 0.428 884 E N 0.138 120.242 120.200 -0.159 0.000 2.478 884 E HA 0.023 4.373 4.350 0.001 0.000 0.194 884 E C 1.585 178.081 176.600 -0.174 0.000 1.045 884 E CA 0.265 56.584 56.400 -0.135 0.000 0.868 884 E CB 0.295 29.950 29.700 -0.075 0.000 0.885 884 E HN 0.593 nan 8.360 nan 0.000 0.505 885 I N -2.537 117.854 120.570 -0.297 0.000 4.181 885 I HA 0.120 4.290 4.170 0.001 0.000 0.331 885 I C 1.781 177.647 176.117 -0.419 0.000 1.312 885 I CA -0.148 60.975 61.300 -0.294 0.000 1.146 885 I CB 0.238 38.086 38.000 -0.253 0.000 1.074 885 I HN -0.029 nan 8.210 nan 0.000 0.402 886 L N 1.823 122.661 121.223 -0.641 0.000 1.976 886 L HA -0.194 4.146 4.340 0.001 0.000 0.209 886 L C 2.593 179.301 176.870 -0.270 0.000 1.071 886 L CA 2.320 56.791 54.840 -0.615 0.000 0.746 886 L CB -0.857 40.782 42.059 -0.701 0.000 0.890 886 L HN 0.370 nan 8.230 nan 0.000 0.432 887 Q N 0.362 120.044 119.800 -0.197 0.000 2.030 887 Q HA -0.116 4.225 4.340 0.001 0.000 0.204 887 Q C 1.674 177.637 176.000 -0.062 0.000 0.986 887 Q CA 2.267 58.011 55.803 -0.099 0.000 0.843 887 Q CB -0.637 28.054 28.738 -0.079 0.000 0.904 887 Q HN 0.621 nan 8.270 nan 0.000 0.420 888 A N -0.564 122.215 122.820 -0.068 0.000 2.412 888 A HA 0.516 4.837 4.320 0.001 0.000 0.253 888 A C 1.678 179.257 177.584 -0.009 0.000 1.334 888 A CA 0.703 52.727 52.037 -0.022 0.000 0.929 888 A CB -0.713 18.277 19.000 -0.017 0.000 0.983 888 A HN 0.448 nan 8.150 nan 0.000 0.508 889 A N -0.501 122.298 122.820 -0.035 0.000 1.908 889 A HA -0.197 4.124 4.320 0.001 0.000 0.218 889 A C 1.931 179.539 177.584 0.040 0.000 1.181 889 A CA 1.753 53.776 52.037 -0.025 0.000 0.627 889 A CB -0.810 18.160 19.000 -0.050 0.000 0.818 889 A HN 0.773 nan 8.150 nan 0.000 0.445 890 Y N 0.286 120.565 120.300 -0.034 0.000 2.128 890 Y HA -0.315 4.235 4.550 0.001 0.000 0.284 890 Y C 2.666 178.543 175.900 -0.039 0.000 1.154 890 Y CA 2.498 60.567 58.100 -0.052 0.000 1.149 890 Y CB -0.345 38.026 38.460 -0.150 0.000 0.976 890 Y HN 0.528 nan 8.280 nan 0.000 0.505 891 Q N 0.077 119.990 119.800 0.189 0.000 2.152 891 Q HA -0.226 4.114 4.340 0.001 0.000 0.206 891 Q C 1.942 177.961 176.000 0.031 0.000 0.985 891 Q CA 2.231 58.107 55.803 0.121 0.000 0.863 891 Q CB -0.315 28.476 28.738 0.088 0.000 0.904 891 Q HN 0.645 nan 8.270 nan 0.000 0.422 892 L N -0.480 120.749 121.223 0.010 0.000 2.270 892 L HA -0.057 4.284 4.340 0.001 0.000 0.210 892 L C 2.469 179.320 176.870 -0.032 0.000 1.104 892 L CA 0.468 55.313 54.840 0.009 0.000 0.804 892 L CB -0.235 41.843 42.059 0.032 0.000 0.937 892 L HN 0.369 nan 8.230 nan 0.000 0.450 893 M N -0.088 119.455 119.600 -0.096 0.000 2.175 893 M HA -0.111 4.369 4.480 0.001 0.000 0.264 893 M C 1.524 177.733 176.300 -0.152 0.000 1.063 893 M CA 1.353 56.569 55.300 -0.140 0.000 1.119 893 M CB -0.154 32.300 32.600 -0.243 0.000 1.377 893 M HN 0.207 nan 8.290 nan 0.000 0.415 894 V N -2.747 117.051 119.914 -0.194 0.000 3.110 894 V HA 0.247 4.367 4.120 0.001 0.000 0.368 894 V C -0.296 175.856 176.094 0.097 0.000 1.332 894 V CA -0.450 61.829 62.300 -0.035 0.000 1.287 894 V CB -0.782 30.979 31.823 -0.103 0.000 1.277 894 V HN 0.136 nan 8.190 nan 0.000 0.502 895 D N -0.040 120.335 120.400 -0.041 0.000 2.278 895 D HA 0.228 4.869 4.640 0.001 0.000 0.245 895 D C 0.989 176.920 176.300 -0.615 0.000 1.052 895 D CA -0.252 53.642 54.000 -0.175 0.000 0.834 895 D CB 2.993 43.760 40.800 -0.055 0.000 1.194 895 D HN 0.035 nan 8.370 nan 0.000 0.481 896 V N 4.564 123.842 119.914 -1.059 0.000 2.439 896 V HA -0.244 3.876 4.120 0.001 0.000 0.253 896 V C 1.051 176.651 176.094 -0.823 0.000 1.074 896 V CA 1.891 63.237 62.300 -1.591 0.000 1.076 896 V CB -0.451 30.694 31.823 -1.130 0.000 0.664 896 V HN 0.606 nan 8.190 nan 0.000 0.461 897 F N -0.723 119.155 119.950 -0.120 0.000 2.680 897 F HA 0.346 4.873 4.527 0.000 0.000 0.290 897 F C 2.254 178.193 175.800 0.231 0.000 1.114 897 F CA 0.526 58.620 58.000 0.156 0.000 1.333 897 F CB -0.218 38.808 39.000 0.045 0.000 1.091 897 F HN 0.188 nan 8.300 nan 0.000 0.606 898 G N 1.060 109.990 108.800 0.217 0.000 2.422 898 G HA2 -0.313 3.647 3.960 0.001 0.000 0.218 898 G HA3 -0.313 3.647 3.960 0.001 0.000 0.218 898 G C 1.270 176.241 174.900 0.119 0.000 1.140 898 G CA 1.150 46.351 45.100 0.168 0.000 0.775 898 G HN 0.486 nan 8.290 nan 0.000 0.545 899 N N -0.233 118.453 118.700 -0.023 0.000 2.192 899 N HA -0.226 4.514 4.740 0.001 0.000 0.188 899 N C 1.731 177.204 175.510 -0.062 0.000 1.013 899 N CA 1.614 54.604 53.050 -0.099 0.000 0.863 899 N CB -0.647 37.700 38.487 -0.234 0.000 0.990 899 N HN 0.460 nan 8.380 nan 0.000 0.430 900 Y N 0.119 120.477 120.300 0.097 0.000 2.242 900 Y HA -0.002 4.548 4.550 0.000 0.000 0.291 900 Y C 2.443 178.424 175.900 0.136 0.000 1.137 900 Y CA 0.777 58.947 58.100 0.116 0.000 1.181 900 Y CB -0.385 38.145 38.460 0.117 0.000 0.989 900 Y HN -0.014 nan 8.280 nan 0.000 0.527 901 V N -0.003 120.092 119.914 0.301 0.000 2.307 901 V HA -0.272 3.848 4.120 0.001 0.000 0.245 901 V C 2.245 178.531 176.094 0.320 0.000 1.045 901 V CA 1.308 63.769 62.300 0.268 0.000 1.024 901 V CB -0.590 31.393 31.823 0.266 0.000 0.651 901 V HN 0.340 nan 8.190 nan 0.000 0.449 902 I N 0.146 120.881 120.570 0.275 0.000 2.264 902 I HA -0.273 3.897 4.170 0.001 0.000 0.248 902 I C 2.631 178.943 176.117 0.325 0.000 1.111 902 I CA 1.673 63.140 61.300 0.277 0.000 1.382 902 I CB -1.301 36.817 38.000 0.197 0.000 1.060 902 I HN 0.473 nan 8.210 nan 0.000 0.418 903 Q N 0.379 120.349 119.800 0.284 0.000 2.084 903 Q HA -0.197 4.144 4.340 0.001 0.000 0.202 903 Q C 2.189 178.300 176.000 0.185 0.000 0.978 903 Q CA 1.138 57.109 55.803 0.280 0.000 0.844 903 Q CB -0.094 28.745 28.738 0.169 0.000 0.898 903 Q HN 0.382 nan 8.270 nan 0.000 0.426 904 K N 0.208 120.696 120.400 0.147 0.000 2.147 904 K HA -0.117 4.203 4.320 0.001 0.000 0.205 904 K C 1.791 178.347 176.600 -0.072 0.000 1.049 904 K CA 1.086 57.412 56.287 0.064 0.000 0.936 904 K CB -0.275 32.276 32.500 0.084 0.000 0.722 904 K HN 0.184 nan 8.250 nan 0.000 0.446 905 F N -0.184 119.766 119.950 -0.000 0.000 2.234 905 F HA -0.073 4.454 4.527 0.001 0.000 0.299 905 F C 2.048 177.700 175.800 -0.246 0.000 1.087 905 F CA 0.956 58.891 58.000 -0.108 0.000 1.340 905 F CB -0.400 38.534 39.000 -0.111 0.000 1.031 905 F HN -0.064 nan 8.300 nan 0.000 0.500 906 F N 0.205 120.166 119.950 0.018 0.000 2.206 906 F HA -0.122 4.405 4.527 0.000 0.000 0.298 906 F C 2.223 177.620 175.800 -0.673 0.000 1.090 906 F CA 1.118 59.038 58.000 -0.132 0.000 1.323 906 F CB -0.337 38.680 39.000 0.027 0.000 1.028 906 F HN -0.037 nan 8.300 nan 0.000 0.492 907 E N -0.675 119.143 120.200 -0.635 0.000 2.051 907 E HA -0.099 4.251 4.350 0.001 0.000 0.189 907 E C 1.323 177.179 176.600 -1.240 0.000 0.979 907 E CA 1.249 56.836 56.400 -1.355 0.000 0.803 907 E CB -0.144 28.738 29.700 -1.363 0.000 0.761 907 E HN 0.409 nan 8.360 nan 0.000 0.451 908 F N 0.011 119.775 119.950 -0.310 0.000 2.706 908 F HA 0.290 4.817 4.527 0.001 0.000 0.313 908 F C 1.312 176.986 175.800 -0.211 0.000 1.096 908 F CA -0.561 57.291 58.000 -0.247 0.000 1.219 908 F CB 0.583 39.444 39.000 -0.231 0.000 1.051 908 F HN -0.086 nan 8.300 nan 0.000 0.568 909 G N 0.642 109.403 108.800 -0.064 0.000 2.653 909 G HA2 0.317 4.278 3.960 0.001 0.000 0.265 909 G HA3 0.317 4.278 3.960 0.001 0.000 0.265 909 G C 0.082 174.967 174.900 -0.024 0.000 1.237 909 G CA -0.207 44.909 45.100 0.026 0.000 0.946 909 G HN 0.216 nan 8.290 nan 0.000 0.522 910 S N -0.622 115.052 115.700 -0.045 0.000 2.632 910 S HA 0.201 4.672 4.470 0.001 0.000 0.267 910 S C 1.593 176.141 174.600 -0.087 0.000 1.276 910 S CA -0.607 57.552 58.200 -0.069 0.000 0.998 910 S CB 1.281 64.427 63.200 -0.090 0.000 0.953 910 S HN 0.574 nan 8.310 nan 0.000 0.547 911 L N 0.600 121.792 121.223 -0.051 0.000 1.997 911 L HA -0.205 4.135 4.340 0.001 0.000 0.216 911 L C 2.505 179.336 176.870 -0.065 0.000 1.074 911 L CA 2.155 56.977 54.840 -0.029 0.000 0.763 911 L CB -0.658 41.395 42.059 -0.010 0.000 0.890 911 L HN 0.801 nan 8.230 nan 0.000 0.434 912 E N -0.218 119.921 120.200 -0.100 0.000 2.118 912 E HA -0.270 4.081 4.350 0.001 0.000 0.195 912 E C 2.142 178.596 176.600 -0.242 0.000 0.992 912 E CA 1.460 57.781 56.400 -0.131 0.000 0.804 912 E CB -0.175 29.450 29.700 -0.126 0.000 0.741 912 E HN 0.623 nan 8.360 nan 0.000 0.458 913 Q N 0.348 119.899 119.800 -0.414 0.000 2.083 913 Q HA -0.069 4.272 4.340 0.001 0.000 0.198 913 Q C 2.011 177.776 176.000 -0.391 0.000 0.969 913 Q CA 1.137 56.454 55.803 -0.811 0.000 0.838 913 Q CB -0.151 27.978 28.738 -1.014 0.000 0.900 913 Q HN 0.198 nan 8.270 nan 0.000 0.436 914 K N 0.775 121.038 120.400 -0.228 0.000 2.063 914 K HA -0.136 4.184 4.320 0.001 0.000 0.208 914 K C 2.104 178.724 176.600 0.032 0.000 1.048 914 K CA 1.123 57.337 56.287 -0.121 0.000 0.928 914 K CB -0.206 32.336 32.500 0.070 0.000 0.713 914 K HN 0.169 nan 8.250 nan 0.000 0.442 915 L N 0.517 121.752 121.223 0.019 0.000 2.056 915 L HA -0.157 4.184 4.340 0.001 0.000 0.207 915 L C 2.629 179.541 176.870 0.070 0.000 1.078 915 L CA 1.073 55.949 54.840 0.060 0.000 0.749 915 L CB -0.579 41.496 42.059 0.028 0.000 0.901 915 L HN 0.208 nan 8.230 nan 0.000 0.433 916 A N -0.113 122.736 122.820 0.049 0.000 1.930 916 A HA -0.112 4.208 4.320 0.001 0.000 0.217 916 A C 2.263 179.935 177.584 0.147 0.000 1.175 916 A CA 1.172 53.281 52.037 0.119 0.000 0.627 916 A CB -0.535 18.594 19.000 0.216 0.000 0.815 916 A HN 0.342 nan 8.150 nan 0.000 0.443 917 L N -0.892 120.408 121.223 0.128 0.000 2.093 917 L HA -0.153 4.187 4.340 0.001 0.000 0.208 917 L C 3.055 180.062 176.870 0.227 0.000 1.085 917 L CA 0.940 55.841 54.840 0.102 0.000 0.755 917 L CB -0.463 41.493 42.059 -0.171 0.000 0.904 917 L HN 0.439 nan 8.230 nan 0.000 0.435 918 A N 0.612 123.593 122.820 0.268 0.000 2.019 918 A HA -0.239 4.081 4.320 0.001 0.000 0.219 918 A C 2.095 179.782 177.584 0.172 0.000 1.164 918 A CA 1.925 54.125 52.037 0.271 0.000 0.644 918 A CB -0.376 18.766 19.000 0.237 0.000 0.805 918 A HN 0.567 nan 8.150 nan 0.000 0.449 919 E N -0.394 119.888 120.200 0.136 0.000 2.230 919 E HA -0.089 4.261 4.350 0.001 0.000 0.192 919 E C 1.759 178.428 176.600 0.114 0.000 0.987 919 E CA 0.713 57.172 56.400 0.099 0.000 0.841 919 E CB -0.178 29.566 29.700 0.074 0.000 0.783 919 E HN 0.351 nan 8.360 nan 0.000 0.481 920 R N 0.386 120.972 120.500 0.142 0.000 2.189 920 R HA 0.127 4.467 4.340 0.001 0.000 0.218 920 R C 2.048 178.517 176.300 0.283 0.000 1.074 920 R CA 0.829 57.032 56.100 0.172 0.000 0.991 920 R CB -0.436 29.943 30.300 0.133 0.000 0.883 920 R HN 0.390 nan 8.270 nan 0.000 0.457 921 I N 0.393 121.117 120.570 0.256 0.000 2.716 921 I HA -0.057 4.113 4.170 0.001 0.000 0.259 921 I C 1.163 177.401 176.117 0.202 0.000 1.172 921 I CA -0.054 61.419 61.300 0.289 0.000 1.478 921 I CB -0.008 38.125 38.000 0.221 0.000 1.104 921 I HN -0.024 nan 8.210 nan 0.000 0.439 922 R N 1.536 122.097 120.500 0.102 0.000 2.504 922 R HA 0.024 4.364 4.340 0.001 0.000 0.291 922 R C 1.046 177.249 176.300 -0.163 0.000 0.974 922 R CA 1.266 57.364 56.100 -0.003 0.000 1.077 922 R CB 0.058 30.357 30.300 -0.001 0.000 0.926 922 R HN 0.427 nan 8.270 nan 0.000 0.407 923 G N 3.323 112.020 108.800 -0.172 0.000 2.199 923 G HA2 -0.255 3.706 3.960 0.001 0.000 0.254 923 G HA3 -0.255 3.706 3.960 0.001 0.000 0.254 923 G C 0.338 175.015 174.900 -0.372 0.000 0.982 923 G CA 0.295 45.214 45.100 -0.303 0.000 0.632 923 G HN 0.779 nan 8.290 nan 0.000 0.529 924 H N -0.591 118.520 119.070 0.067 0.000 2.923 924 H HA 0.380 4.936 4.556 0.000 0.000 0.268 924 H C 2.242 177.638 175.328 0.113 0.000 1.148 924 H CA 0.467 56.586 56.048 0.118 0.000 1.146 924 H CB 0.241 30.168 29.762 0.275 0.000 1.607 924 H HN 0.263 nan 8.280 nan 0.000 0.566 925 V N 1.126 121.125 119.914 0.141 0.000 2.287 925 V HA -0.273 3.848 4.120 0.001 0.000 0.248 925 V C 2.555 178.688 176.094 0.066 0.000 1.053 925 V CA 1.685 64.041 62.300 0.093 0.000 1.027 925 V CB -0.525 31.330 31.823 0.053 0.000 0.646 925 V HN 0.225 nan 8.190 nan 0.000 0.447 926 L N 1.222 122.467 121.223 0.036 0.000 1.989 926 L HA -0.188 4.152 4.340 0.001 0.000 0.211 926 L C 2.739 179.606 176.870 -0.005 0.000 1.071 926 L CA 2.680 57.507 54.840 -0.022 0.000 0.749 926 L CB -0.842 41.132 42.059 -0.143 0.000 0.890 926 L HN 0.541 nan 8.230 nan 0.000 0.431 927 S N -1.401 114.326 115.700 0.046 0.000 2.402 927 S HA -0.156 4.314 4.470 0.001 0.000 0.229 927 S C 2.046 176.688 174.600 0.069 0.000 1.021 927 S CA 1.367 59.607 58.200 0.067 0.000 0.974 927 S CB -0.877 62.398 63.200 0.126 0.000 0.800 927 S HN 0.489 nan 8.310 nan 0.000 0.484 928 L N 1.085 122.361 121.223 0.088 0.000 2.109 928 L HA 0.103 4.443 4.340 0.001 0.000 0.207 928 L C 3.139 179.994 176.870 -0.025 0.000 1.086 928 L CA 0.977 55.821 54.840 0.007 0.000 0.760 928 L CB -0.725 41.340 42.059 0.011 0.000 0.910 928 L HN 0.449 nan 8.230 nan 0.000 0.437 929 A N 0.002 122.818 122.820 -0.007 0.000 1.972 929 A HA -0.123 4.198 4.320 0.001 0.000 0.219 929 A C 2.074 179.636 177.584 -0.037 0.000 1.169 929 A CA 1.306 53.330 52.037 -0.021 0.000 0.635 929 A CB -0.545 18.453 19.000 -0.004 0.000 0.810 929 A HN 0.415 nan 8.150 nan 0.000 0.446 930 L N -0.710 120.491 121.223 -0.036 0.000 2.591 930 L HA 0.079 4.420 4.340 0.001 0.000 0.228 930 L C 1.040 177.869 176.870 -0.070 0.000 1.133 930 L CA -0.124 54.687 54.840 -0.047 0.000 0.880 930 L CB -0.074 41.962 42.059 -0.038 0.000 1.033 930 L HN 0.355 nan 8.230 nan 0.000 0.450 931 Q N 0.685 120.436 119.800 -0.081 0.000 2.243 931 Q HA 0.203 4.543 4.340 0.001 0.000 0.252 931 Q C 0.872 176.749 176.000 -0.205 0.000 0.909 931 Q CA -0.146 55.579 55.803 -0.130 0.000 0.922 931 Q CB 1.986 30.661 28.738 -0.105 0.000 1.215 931 Q HN 0.262 nan 8.270 nan 0.000 0.427 932 M N 2.952 122.345 119.600 -0.346 0.000 2.110 932 M HA -0.278 4.202 4.480 0.001 0.000 0.257 932 M C 1.322 177.360 176.300 -0.438 0.000 1.071 932 M CA 2.180 57.182 55.300 -0.496 0.000 1.096 932 M CB -0.560 31.498 32.600 -0.903 0.000 1.300 932 M HN 0.636 nan 8.290 nan 0.000 0.411 933 Y N -0.406 119.813 120.300 -0.135 0.000 2.301 933 Y HA 0.147 4.698 4.550 0.000 0.000 0.295 933 Y C 2.801 178.594 175.900 -0.178 0.000 1.119 933 Y CA 0.389 58.379 58.100 -0.183 0.000 1.162 933 Y CB -0.983 37.364 38.460 -0.189 0.000 1.046 933 Y HN 0.284 nan 8.280 nan 0.000 0.538 934 G N 0.370 109.139 108.800 -0.052 0.000 2.442 934 G HA2 -0.335 3.626 3.960 0.001 0.000 0.219 934 G HA3 -0.335 3.626 3.960 0.001 0.000 0.219 934 G C 1.691 176.539 174.900 -0.088 0.000 1.141 934 G CA 1.340 46.376 45.100 -0.106 0.000 0.763 934 G HN 0.642 nan 8.290 nan 0.000 0.554 935 C N 0.140 119.387 119.300 -0.089 0.000 2.419 935 C HA 0.192 4.653 4.460 0.001 0.000 0.281 935 C C 2.668 177.613 174.990 -0.076 0.000 1.336 935 C CA 0.421 59.395 59.018 -0.073 0.000 1.770 935 C CB -0.779 26.920 27.740 -0.068 0.000 1.929 935 C HN 0.306 nan 8.230 nan 0.000 0.509 936 R N 1.225 121.673 120.500 -0.086 0.000 2.115 936 R HA 0.034 4.375 4.340 0.001 0.000 0.226 936 R C 2.267 178.524 176.300 -0.071 0.000 1.100 936 R CA 1.158 57.206 56.100 -0.087 0.000 0.980 936 R CB -0.890 29.344 30.300 -0.110 0.000 0.875 936 R HN 0.587 nan 8.270 nan 0.000 0.445 937 V N 1.512 121.389 119.914 -0.062 0.000 2.323 937 V HA -0.181 3.939 4.120 0.001 0.000 0.244 937 V C 2.455 178.463 176.094 -0.142 0.000 1.041 937 V CA 1.202 63.480 62.300 -0.035 0.000 1.025 937 V CB -0.367 31.473 31.823 0.028 0.000 0.656 937 V HN 0.087 nan 8.190 nan 0.000 0.451 938 I N 0.186 120.687 120.570 -0.114 0.000 2.151 938 I HA -0.309 3.861 4.170 0.001 0.000 0.243 938 I C 2.617 178.636 176.117 -0.163 0.000 1.080 938 I CA 1.789 63.009 61.300 -0.133 0.000 1.339 938 I CB -1.342 36.617 38.000 -0.068 0.000 1.039 938 I HN 0.453 nan 8.210 nan 0.000 0.409 939 Q N 0.186 119.914 119.800 -0.119 0.000 2.061 939 Q HA -0.271 4.070 4.340 0.001 0.000 0.204 939 Q C 2.254 178.171 176.000 -0.139 0.000 0.984 939 Q CA 1.911 57.649 55.803 -0.109 0.000 0.846 939 Q CB -0.175 28.520 28.738 -0.073 0.000 0.902 939 Q HN 0.255 nan 8.270 nan 0.000 0.421 940 K N 0.725 121.045 120.400 -0.133 0.000 2.097 940 K HA -0.087 4.234 4.320 0.001 0.000 0.205 940 K C 1.807 178.267 176.600 -0.233 0.000 1.050 940 K CA 1.305 57.547 56.287 -0.075 0.000 0.938 940 K CB -0.414 32.103 32.500 0.027 0.000 0.718 940 K HN 0.198 nan 8.250 nan 0.000 0.442 941 A N 0.700 123.124 122.820 -0.658 0.000 1.902 941 A HA -0.121 4.199 4.320 0.001 0.000 0.217 941 A C 2.163 179.538 177.584 -0.348 0.000 1.181 941 A CA 1.620 53.072 52.037 -0.975 0.000 0.623 941 A CB -0.763 17.593 19.000 -1.072 0.000 0.818 941 A HN 0.326 nan 8.150 nan 0.000 0.443 942 L N -0.899 120.173 121.223 -0.253 0.000 2.127 942 L HA -0.219 4.121 4.340 0.001 0.000 0.211 942 L C 2.591 179.344 176.870 -0.195 0.000 1.089 942 L CA 1.781 56.519 54.840 -0.170 0.000 0.757 942 L CB -0.394 41.580 42.059 -0.142 0.000 0.899 942 L HN 0.581 nan 8.230 nan 0.000 0.434 943 E N -0.143 119.892 120.200 -0.274 0.000 2.112 943 E HA -0.142 4.208 4.350 0.001 0.000 0.190 943 E C 1.652 177.879 176.600 -0.622 0.000 0.979 943 E CA 1.012 57.113 56.400 -0.498 0.000 0.814 943 E CB 0.146 29.416 29.700 -0.717 0.000 0.762 943 E HN 0.478 nan 8.360 nan 0.000 0.460 944 F N 0.522 120.439 119.950 -0.054 0.000 2.704 944 F HA 0.247 4.774 4.527 0.001 0.000 0.304 944 F C 1.001 176.830 175.800 0.048 0.000 1.094 944 F CA -0.503 57.505 58.000 0.012 0.000 1.275 944 F CB 0.282 39.322 39.000 0.067 0.000 1.073 944 F HN -0.039 nan 8.300 nan 0.000 0.586 945 I N -1.359 119.306 120.570 0.158 0.000 2.834 945 I HA 0.502 4.672 4.170 0.001 0.000 0.305 945 I C -2.487 173.670 176.117 0.066 0.000 1.008 945 I CA -2.297 59.086 61.300 0.139 0.000 1.273 945 I CB 0.333 38.407 38.000 0.125 0.000 1.432 945 I HN -0.282 nan 8.210 nan 0.000 0.557 946 P HA 0.104 nan 4.420 nan 0.000 0.272 946 P C 0.589 177.896 177.300 0.013 0.000 1.240 946 P CA -0.315 62.804 63.100 0.032 0.000 0.791 946 P CB 0.726 32.446 31.700 0.034 0.000 0.978 947 S N -0.471 115.230 115.700 0.002 0.000 2.383 947 S HA -0.254 4.216 4.470 0.001 0.000 0.229 947 S C 1.628 176.226 174.600 -0.005 0.000 1.030 947 S CA 1.859 60.055 58.200 -0.007 0.000 1.002 947 S CB -1.162 62.032 63.200 -0.009 0.000 0.829 947 S HN 0.489 nan 8.310 nan 0.000 0.467 948 D N 1.126 121.527 120.400 0.002 0.000 2.144 948 D HA -0.079 4.561 4.640 0.001 0.000 0.200 948 D C 2.148 178.450 176.300 0.003 0.000 0.978 948 D CA 1.074 55.074 54.000 0.000 0.000 0.833 948 D CB -0.203 40.599 40.800 0.004 0.000 0.961 948 D HN 0.363 nan 8.370 nan 0.000 0.470 949 Q N -0.194 119.615 119.800 0.014 0.000 2.172 949 Q HA -0.024 4.317 4.340 0.001 0.000 0.200 949 Q C 2.151 178.156 176.000 0.008 0.000 0.964 949 Q CA 0.948 56.765 55.803 0.023 0.000 0.855 949 Q CB -0.035 28.734 28.738 0.051 0.000 0.918 949 Q HN 0.436 nan 8.270 nan 0.000 0.444 950 Q N -0.056 119.742 119.800 -0.003 0.000 2.046 950 Q HA -0.115 4.225 4.340 0.001 0.000 0.200 950 Q C 1.678 177.668 176.000 -0.017 0.000 0.975 950 Q CA 1.379 57.171 55.803 -0.018 0.000 0.836 950 Q CB -0.180 28.541 28.738 -0.029 0.000 0.896 950 Q HN 0.520 nan 8.270 nan 0.000 0.428 951 N N 0.394 119.082 118.700 -0.019 0.000 2.166 951 N HA -0.199 4.542 4.740 0.001 0.000 0.186 951 N C 1.738 177.218 175.510 -0.049 0.000 1.019 951 N CA 0.772 53.803 53.050 -0.032 0.000 0.856 951 N CB -0.001 38.467 38.487 -0.031 0.000 0.993 951 N HN 0.271 nan 8.380 nan 0.000 0.426 952 E N 0.958 121.138 120.200 -0.034 0.000 2.072 952 E HA -0.142 4.208 4.350 0.001 0.000 0.191 952 E C 2.025 178.604 176.600 -0.034 0.000 0.985 952 E CA 0.736 57.114 56.400 -0.036 0.000 0.801 952 E CB 0.114 29.804 29.700 -0.016 0.000 0.750 952 E HN 0.313 nan 8.360 nan 0.000 0.452 953 M N -0.027 119.563 119.600 -0.018 0.000 2.067 953 M HA -0.173 4.307 4.480 0.001 0.000 0.260 953 M C 2.325 178.622 176.300 -0.006 0.000 1.069 953 M CA 1.165 56.462 55.300 -0.006 0.000 1.117 953 M CB -0.017 32.581 32.600 -0.005 0.000 1.334 953 M HN 0.085 nan 8.290 nan 0.000 0.407 954 V N 0.362 120.273 119.914 -0.006 0.000 2.282 954 V HA -0.331 3.789 4.120 0.001 0.000 0.249 954 V C 2.123 178.153 176.094 -0.106 0.000 1.057 954 V CA 1.986 64.304 62.300 0.031 0.000 1.032 954 V CB -0.817 31.043 31.823 0.063 0.000 0.645 954 V HN 0.464 nan 8.190 nan 0.000 0.447 955 R N -0.201 120.173 120.500 -0.209 0.000 2.241 955 R HA -0.136 4.204 4.340 0.001 0.000 0.224 955 R C 2.023 178.217 176.300 -0.176 0.000 1.101 955 R CA 1.101 57.009 56.100 -0.321 0.000 0.995 955 R CB -0.243 29.919 30.300 -0.230 0.000 0.870 955 R HN 0.642 nan 8.270 nan 0.000 0.463 956 E N 0.004 120.166 120.200 -0.063 0.000 2.482 956 E HA -0.096 4.254 4.350 0.001 0.000 0.196 956 E C 0.772 177.434 176.600 0.103 0.000 1.047 956 E CA 0.352 56.758 56.400 0.010 0.000 0.869 956 E CB 0.233 29.942 29.700 0.015 0.000 0.836 956 E HN 0.129 nan 8.360 nan 0.000 0.520 957 L N 0.689 121.979 121.223 0.112 0.000 2.567 957 L HA 0.080 4.420 4.340 0.001 0.000 0.225 957 L C 0.313 177.385 176.870 0.335 0.000 1.119 957 L CA 0.492 55.495 54.840 0.271 0.000 0.871 957 L CB -0.178 42.075 42.059 0.324 0.000 1.036 957 L HN -0.066 nan 8.230 nan 0.000 0.459 958 D N -0.287 120.161 120.400 0.081 0.000 2.472 958 D HA 0.347 4.988 4.640 0.001 0.000 0.248 958 D C 1.380 177.657 176.300 -0.039 0.000 1.174 958 D CA 1.393 55.398 54.000 0.009 0.000 0.883 958 D CB 0.369 41.032 40.800 -0.228 0.000 1.149 958 D HN 0.324 nan 8.370 nan 0.000 0.488 959 G N 3.794 112.575 108.800 -0.032 0.000 2.175 959 G HA2 -0.249 3.712 3.960 0.001 0.000 0.244 959 G HA3 -0.249 3.712 3.960 0.001 0.000 0.244 959 G C 0.589 175.200 174.900 -0.482 0.000 0.982 959 G CA 0.160 45.090 45.100 -0.283 0.000 0.641 959 G HN 0.693 nan 8.290 nan 0.000 0.527 960 H N -0.578 118.551 119.070 0.097 0.000 2.750 960 H HA 0.355 4.911 4.556 0.001 0.000 0.252 960 H C 1.981 177.342 175.328 0.056 0.000 1.176 960 H CA 0.397 56.481 56.048 0.060 0.000 0.987 960 H CB 0.229 30.023 29.762 0.053 0.000 1.810 960 H HN 0.228 nan 8.280 nan 0.000 0.630 961 V N 1.070 121.061 119.914 0.128 0.000 2.233 961 V HA -0.283 3.838 4.120 0.001 0.000 0.247 961 V C 2.623 178.733 176.094 0.027 0.000 1.050 961 V CA 1.677 64.023 62.300 0.076 0.000 1.010 961 V CB -0.466 31.369 31.823 0.020 0.000 0.637 961 V HN 0.345 nan 8.190 nan 0.000 0.444 962 L N -0.168 121.040 121.223 -0.026 0.000 2.083 962 L HA -0.223 4.117 4.340 0.001 0.000 0.209 962 L C 2.619 179.442 176.870 -0.080 0.000 1.083 962 L CA 2.042 56.816 54.840 -0.110 0.000 0.752 962 L CB -0.696 41.274 42.059 -0.148 0.000 0.899 962 L HN 0.392 nan 8.230 nan 0.000 0.433 963 K N -0.145 120.249 120.400 -0.010 0.000 2.097 963 K HA -0.189 4.131 4.320 0.001 0.000 0.206 963 K C 2.217 178.816 176.600 -0.001 0.000 1.049 963 K CA 1.761 58.050 56.287 0.004 0.000 0.933 963 K CB -0.104 32.429 32.500 0.054 0.000 0.717 963 K HN 0.326 nan 8.250 nan 0.000 0.442 964 C N 0.142 119.453 119.300 0.017 0.000 2.466 964 C HA -0.023 4.437 4.460 0.001 0.000 0.278 964 C C 2.577 177.549 174.990 -0.029 0.000 1.288 964 C CA 0.330 59.349 59.018 0.002 0.000 1.722 964 C CB -0.438 27.320 27.740 0.031 0.000 2.017 964 C HN 0.331 nan 8.230 nan 0.000 0.488 965 V N 1.159 121.052 119.914 -0.035 0.000 2.407 965 V HA -0.214 3.906 4.120 0.001 0.000 0.248 965 V C 2.136 178.187 176.094 -0.071 0.000 1.055 965 V CA 1.823 64.088 62.300 -0.057 0.000 1.049 965 V CB -0.526 31.247 31.823 -0.084 0.000 0.662 965 V HN 0.607 nan 8.190 nan 0.000 0.455 966 K N -0.179 120.152 120.400 -0.115 0.000 2.444 966 K HA 0.054 4.374 4.320 0.001 0.000 0.193 966 K C 0.594 177.344 176.600 0.250 0.000 1.024 966 K CA -0.044 56.201 56.287 -0.070 0.000 1.077 966 K CB 0.066 32.443 32.500 -0.206 0.000 0.833 966 K HN 0.471 nan 8.250 nan 0.000 0.517 967 D N 1.393 121.867 120.400 0.123 0.000 2.255 967 D HA -0.008 4.633 4.640 0.001 0.000 0.249 967 D C 0.846 177.063 176.300 -0.139 0.000 1.078 967 D CA -0.079 53.960 54.000 0.065 0.000 0.896 967 D CB 1.298 42.089 40.800 -0.016 0.000 1.194 967 D HN 0.151 nan 8.370 nan 0.000 0.429 968 Q N 2.537 122.275 119.800 -0.102 0.000 2.167 968 Q HA -0.136 4.204 4.340 0.001 0.000 0.202 968 Q C 0.843 176.681 176.000 -0.269 0.000 0.970 968 Q CA 1.056 56.632 55.803 -0.378 0.000 0.855 968 Q CB 0.089 28.808 28.738 -0.033 0.000 0.911 968 Q HN 0.377 nan 8.270 nan 0.000 0.438 969 N N 0.788 119.407 118.700 -0.136 0.000 2.420 969 N HA 0.001 4.742 4.740 0.001 0.000 0.185 969 N C 2.036 177.517 175.510 -0.049 0.000 1.033 969 N CA 1.172 54.189 53.050 -0.054 0.000 0.879 969 N CB -0.573 37.864 38.487 -0.084 0.000 1.071 969 N HN 0.364 nan 8.380 nan 0.000 0.437 970 G N 1.968 110.717 108.800 -0.085 0.000 2.485 970 G HA2 -0.324 3.637 3.960 0.001 0.000 0.221 970 G HA3 -0.324 3.637 3.960 0.001 0.000 0.221 970 G C 1.394 176.227 174.900 -0.112 0.000 1.115 970 G CA 1.450 46.507 45.100 -0.072 0.000 0.751 970 G HN 0.582 nan 8.290 nan 0.000 0.567 971 N N -0.199 118.359 118.700 -0.237 0.000 2.223 971 N HA -0.115 4.626 4.740 0.001 0.000 0.185 971 N C 1.756 177.069 175.510 -0.329 0.000 1.016 971 N CA 1.665 54.537 53.050 -0.298 0.000 0.863 971 N CB -0.653 37.569 38.487 -0.442 0.000 0.983 971 N HN 0.492 nan 8.380 nan 0.000 0.429 972 H N -1.115 117.866 119.070 -0.148 0.000 2.462 972 H HA 0.138 4.694 4.556 0.001 0.000 0.292 972 H C 1.770 177.044 175.328 -0.091 0.000 1.049 972 H CA 1.110 57.090 56.048 -0.113 0.000 1.334 972 H CB 0.239 29.928 29.762 -0.122 0.000 1.404 972 H HN 0.058 nan 8.280 nan 0.000 0.544 973 V N -0.052 119.865 119.914 0.005 0.000 2.379 973 V HA -0.192 3.928 4.120 0.001 0.000 0.245 973 V C 2.237 178.312 176.094 -0.031 0.000 1.044 973 V CA 1.222 63.512 62.300 -0.017 0.000 1.036 973 V CB -0.300 31.513 31.823 -0.017 0.000 0.664 973 V HN 0.268 nan 8.190 nan 0.000 0.453 974 V N -0.330 119.559 119.914 -0.043 0.000 2.295 974 V HA -0.317 3.804 4.120 0.001 0.000 0.246 974 V C 2.464 178.514 176.094 -0.074 0.000 1.049 974 V CA 1.999 64.268 62.300 -0.051 0.000 1.024 974 V CB -0.770 31.025 31.823 -0.047 0.000 0.648 974 V HN 0.571 nan 8.190 nan 0.000 0.447 975 Q N -0.444 119.311 119.800 -0.075 0.000 2.096 975 Q HA -0.242 4.098 4.340 0.001 0.000 0.204 975 Q C 2.464 178.421 176.000 -0.073 0.000 0.982 975 Q CA 1.353 57.115 55.803 -0.067 0.000 0.850 975 Q CB -0.250 28.457 28.738 -0.051 0.000 0.901 975 Q HN 0.398 nan 8.270 nan 0.000 0.422 976 K N 0.419 120.781 120.400 -0.063 0.000 2.057 976 K HA -0.119 4.201 4.320 0.001 0.000 0.207 976 K C 2.063 178.594 176.600 -0.115 0.000 1.049 976 K CA 0.917 57.152 56.287 -0.087 0.000 0.931 976 K CB -0.537 31.919 32.500 -0.073 0.000 0.714 976 K HN 0.297 nan 8.250 nan 0.000 0.440 977 C N 0.513 119.759 119.300 -0.089 0.000 2.429 977 C HA -0.069 4.391 4.460 0.001 0.000 0.277 977 C C 2.711 177.631 174.990 -0.116 0.000 1.262 977 C CA 0.432 59.403 59.018 -0.078 0.000 1.733 977 C CB -0.853 26.872 27.740 -0.024 0.000 2.010 977 C HN 0.405 nan 8.230 nan 0.000 0.483 978 I N 0.845 121.334 120.570 -0.136 0.000 2.226 978 I HA -0.211 3.959 4.170 0.001 0.000 0.245 978 I C 2.539 178.461 176.117 -0.326 0.000 1.100 978 I CA 1.638 62.840 61.300 -0.162 0.000 1.374 978 I CB -0.613 37.316 38.000 -0.118 0.000 1.057 978 I HN 0.457 nan 8.210 nan 0.000 0.413 979 E N 0.128 120.091 120.200 -0.395 0.000 2.047 979 E HA -0.193 4.158 4.350 0.001 0.000 0.191 979 E C 2.221 178.547 176.600 -0.458 0.000 0.987 979 E CA 1.707 57.705 56.400 -0.670 0.000 0.799 979 E CB -0.072 29.422 29.700 -0.342 0.000 0.752 979 E HN 0.560 nan 8.360 nan 0.000 0.449 980 C N 0.164 119.301 119.300 -0.272 0.000 2.611 980 C HA 0.192 4.652 4.460 0.001 0.000 0.282 980 C C 1.030 175.934 174.990 -0.144 0.000 1.321 980 C CA -0.640 58.258 59.018 -0.200 0.000 1.747 980 C CB 0.120 27.751 27.740 -0.181 0.000 2.124 980 C HN 0.020 nan 8.230 nan 0.000 0.531 981 V N 2.136 121.978 119.914 -0.120 0.000 2.567 981 V HA 0.167 4.288 4.120 0.001 0.000 0.289 981 V C -0.031 176.030 176.094 -0.055 0.000 1.049 981 V CA -0.370 61.889 62.300 -0.069 0.000 0.969 981 V CB 0.980 32.784 31.823 -0.032 0.000 0.995 981 V HN 0.472 nan 8.190 nan 0.000 0.471 982 Q N 4.850 124.631 119.800 -0.033 0.000 2.308 982 Q HA -0.030 4.310 4.340 0.001 0.000 0.313 982 Q C -1.625 174.371 176.000 -0.008 0.000 1.075 982 Q CA -0.784 55.007 55.803 -0.019 0.000 0.995 982 Q CB 0.005 28.737 28.738 -0.009 0.000 1.107 982 Q HN 0.474 nan 8.270 nan 0.000 0.380 983 P HA -0.331 nan 4.420 nan 0.000 0.216 983 P C 1.260 178.565 177.300 0.008 0.000 1.154 983 P CA 1.472 64.569 63.100 -0.004 0.000 0.865 983 P CB 0.045 31.745 31.700 0.001 0.000 0.789 984 Q N -0.621 119.186 119.800 0.013 0.000 2.197 984 Q HA -0.134 4.206 4.340 0.001 0.000 0.207 984 Q C 1.638 177.665 176.000 0.045 0.000 0.984 984 Q CA 1.991 57.807 55.803 0.022 0.000 0.869 984 Q CB -1.684 27.062 28.738 0.013 0.000 0.906 984 Q HN 0.214 nan 8.270 nan 0.000 0.426 985 S N 0.641 116.372 115.700 0.051 0.000 2.562 985 S HA 0.193 4.664 4.470 0.001 0.000 0.221 985 S C 1.539 176.274 174.600 0.224 0.000 0.975 985 S CA 0.148 58.399 58.200 0.085 0.000 0.918 985 S CB 0.040 63.267 63.200 0.045 0.000 0.772 985 S HN 0.304 nan 8.310 nan 0.000 0.531 986 L N 0.903 122.224 121.223 0.163 0.000 2.667 986 L HA 0.246 4.586 4.340 0.001 0.000 0.232 986 L C 2.069 178.953 176.870 0.023 0.000 1.138 986 L CA -0.020 54.895 54.840 0.126 0.000 0.921 986 L CB -0.166 41.868 42.059 -0.040 0.000 1.180 986 L HN 0.151 nan 8.230 nan 0.000 0.487 987 Q N 1.688 121.566 119.800 0.129 0.000 2.135 987 Q HA -0.235 4.105 4.340 0.001 0.000 0.204 987 Q C 2.008 178.055 176.000 0.078 0.000 0.981 987 Q CA 2.169 58.014 55.803 0.070 0.000 0.856 987 Q CB -0.362 28.427 28.738 0.084 0.000 0.902 987 Q HN 0.666 nan 8.270 nan 0.000 0.425 988 F N -2.167 117.769 119.950 -0.022 0.000 2.333 988 F HA 0.021 4.549 4.527 0.001 0.000 0.300 988 F C 1.549 177.352 175.800 0.005 0.000 1.083 988 F CA 0.544 58.538 58.000 -0.010 0.000 1.395 988 F CB -0.286 38.707 39.000 -0.012 0.000 1.056 988 F HN 0.029 nan 8.300 nan 0.000 0.529 989 I N 0.301 120.333 120.570 -0.897 0.000 2.480 989 I HA -0.177 3.993 4.170 0.001 0.000 0.251 989 I C 2.358 178.290 176.117 -0.309 0.000 1.124 989 I CA 0.321 61.212 61.300 -0.681 0.000 1.444 989 I CB -0.297 37.248 38.000 -0.760 0.000 1.098 989 I HN 0.139 nan 8.210 nan 0.000 0.428 990 I N 0.982 121.386 120.570 -0.276 0.000 2.142 990 I HA -0.275 3.896 4.170 0.001 0.000 0.240 990 I C 2.155 178.261 176.117 -0.018 0.000 1.078 990 I CA 1.681 62.883 61.300 -0.164 0.000 1.343 990 I CB -1.326 36.600 38.000 -0.123 0.000 1.046 990 I HN 0.263 nan 8.210 nan 0.000 0.405 991 D N 1.288 121.685 120.400 -0.006 0.000 2.172 991 D HA -0.181 4.460 4.640 0.001 0.000 0.196 991 D C 2.131 178.464 176.300 0.055 0.000 0.999 991 D CA 1.636 55.656 54.000 0.034 0.000 0.856 991 D CB -0.121 40.707 40.800 0.047 0.000 0.934 991 D HN 0.370 nan 8.370 nan 0.000 0.453 992 A N -0.233 122.628 122.820 0.069 0.000 2.066 992 A HA -0.057 4.264 4.320 0.001 0.000 0.218 992 A C 1.746 179.402 177.584 0.120 0.000 1.157 992 A CA 0.495 52.582 52.037 0.084 0.000 0.670 992 A CB -0.514 18.527 19.000 0.068 0.000 0.804 992 A HN 0.087 nan 8.150 nan 0.000 0.453 993 F N 0.409 120.304 119.950 -0.092 0.000 2.512 993 F HA 0.151 4.679 4.527 0.001 0.000 0.296 993 F C 0.924 176.693 175.800 -0.052 0.000 1.110 993 F CA 0.163 58.114 58.000 -0.081 0.000 1.446 993 F CB -0.046 38.899 39.000 -0.091 0.000 1.092 993 F HN -0.001 nan 8.300 nan 0.000 0.554 994 K N 0.525 121.002 120.400 0.128 0.000 2.453 994 K HA 0.211 4.532 4.320 0.001 0.000 0.280 994 K C 1.234 177.857 176.600 0.038 0.000 1.045 994 K CA 0.929 57.260 56.287 0.072 0.000 1.059 994 K CB -0.240 32.291 32.500 0.052 0.000 0.901 994 K HN 0.389 nan 8.250 nan 0.000 0.475 995 G N 2.558 111.382 108.800 0.040 0.000 2.217 995 G HA2 -0.245 3.715 3.960 0.001 0.000 0.246 995 G HA3 -0.245 3.715 3.960 0.001 0.000 0.246 995 G C 0.524 175.423 174.900 -0.001 0.000 0.990 995 G CA -0.211 44.906 45.100 0.028 0.000 0.627 995 G HN 0.582 nan 8.290 nan 0.000 0.522 996 Q N -0.182 119.595 119.800 -0.037 0.000 2.135 996 Q HA 0.415 4.755 4.340 0.001 0.000 0.222 996 Q C 2.215 178.138 176.000 -0.129 0.000 0.808 996 Q CA 0.434 56.170 55.803 -0.113 0.000 1.049 996 Q CB 0.944 29.562 28.738 -0.199 0.000 1.168 996 Q HN 0.432 nan 8.270 nan 0.000 0.483 997 V N 0.424 120.326 119.914 -0.021 0.000 2.295 997 V HA -0.249 3.871 4.120 0.001 0.000 0.246 997 V C 1.906 178.015 176.094 0.025 0.000 1.049 997 V CA 1.976 64.296 62.300 0.033 0.000 1.024 997 V CB -0.706 31.175 31.823 0.096 0.000 0.648 997 V HN 0.395 nan 8.190 nan 0.000 0.447 998 F N 1.075 120.911 119.950 -0.191 0.000 2.102 998 F HA -0.212 4.315 4.527 0.001 0.000 0.298 998 F C 2.371 178.049 175.800 -0.203 0.000 1.105 998 F CA 1.548 59.375 58.000 -0.288 0.000 1.239 998 F CB -0.242 38.319 39.000 -0.732 0.000 0.991 998 F HN 0.119 nan 8.300 nan 0.000 0.474 999 A N 0.868 123.450 122.820 -0.398 0.000 1.883 999 A HA -0.173 4.147 4.320 0.001 0.000 0.217 999 A C 2.137 179.526 177.584 -0.325 0.000 1.186 999 A CA 1.865 53.631 52.037 -0.450 0.000 0.624 999 A CB -1.197 17.628 19.000 -0.292 0.000 0.822 999 A HN 0.527 nan 8.150 nan 0.000 0.444 1000 L N -0.622 120.439 121.223 -0.271 0.000 2.217 1000 L HA -0.079 4.262 4.340 0.001 0.000 0.211 1000 L C 2.571 179.379 176.870 -0.104 0.000 1.107 1000 L CA 1.085 55.781 54.840 -0.239 0.000 0.783 1000 L CB -0.275 41.539 42.059 -0.408 0.000 0.919 1000 L HN 0.273 nan 8.230 nan 0.000 0.442 1001 S N -0.840 114.813 115.700 -0.079 0.000 2.453 1001 S HA -0.105 4.365 4.470 0.001 0.000 0.231 1001 S C 1.870 176.469 174.600 -0.001 0.000 1.005 1001 S CA 1.561 59.764 58.200 0.005 0.000 0.949 1001 S CB -0.186 63.055 63.200 0.068 0.000 0.774 1001 S HN 0.623 nan 8.310 nan 0.000 0.510 1002 T N -1.283 113.203 114.554 -0.115 0.000 3.069 1002 T HA 0.123 4.473 4.350 0.001 0.000 0.252 1002 T C 0.356 174.991 174.700 -0.108 0.000 1.053 1002 T CA -0.300 61.747 62.100 -0.088 0.000 0.964 1002 T CB -0.181 68.538 68.868 -0.247 0.000 1.005 1002 T HN 0.365 nan 8.240 nan 0.000 0.532 1003 H N 2.827 121.743 119.070 -0.257 0.000 2.525 1003 H HA 0.245 4.801 4.556 0.001 0.000 0.339 1003 H C -1.714 173.246 175.328 -0.613 0.000 1.109 1003 H CA -1.954 53.861 56.048 -0.389 0.000 1.352 1003 H CB 2.260 31.823 29.762 -0.331 0.000 1.461 1003 H HN -0.052 nan 8.280 nan 0.000 0.533 1004 P HA -0.148 nan 4.420 nan 0.000 0.218 1004 P C 0.759 177.785 177.300 -0.456 0.000 1.149 1004 P CA 1.470 63.747 63.100 -1.373 0.000 0.817 1004 P CB 0.082 30.958 31.700 -1.375 0.000 0.785 1005 Y N -0.517 119.763 120.300 -0.035 0.000 2.389 1005 Y HA 0.178 4.728 4.550 0.000 0.000 0.292 1005 Y C 2.963 178.868 175.900 0.008 0.000 1.117 1005 Y CA 0.197 58.295 58.100 -0.004 0.000 1.195 1005 Y CB -1.004 37.463 38.460 0.012 0.000 1.076 1005 Y HN -0.057 nan 8.280 nan 0.000 0.548 1006 G N 0.643 109.583 108.800 0.232 0.000 2.440 1006 G HA2 -0.342 3.619 3.960 0.001 0.000 0.218 1006 G HA3 -0.342 3.619 3.960 0.001 0.000 0.218 1006 G C 1.675 176.623 174.900 0.081 0.000 1.154 1006 G CA 1.370 46.501 45.100 0.052 0.000 0.767 1006 G HN 0.623 nan 8.290 nan 0.000 0.552 1007 C N 0.098 119.431 119.300 0.056 0.000 2.419 1007 C HA 0.173 4.633 4.460 0.001 0.000 0.281 1007 C C 2.701 177.725 174.990 0.057 0.000 1.336 1007 C CA 0.461 59.523 59.018 0.073 0.000 1.770 1007 C CB -0.879 26.936 27.740 0.125 0.000 1.929 1007 C HN 0.297 nan 8.230 nan 0.000 0.509 1008 R N 1.347 121.874 120.500 0.046 0.000 2.062 1008 R HA 0.019 4.359 4.340 0.001 0.000 0.229 1008 R C 2.374 178.672 176.300 -0.003 0.000 1.128 1008 R CA 1.419 57.528 56.100 0.016 0.000 0.960 1008 R CB -1.051 29.250 30.300 0.002 0.000 0.855 1008 R HN 0.572 nan 8.270 nan 0.000 0.432 1009 V N 1.893 121.823 119.914 0.027 0.000 2.427 1009 V HA -0.192 3.928 4.120 0.001 0.000 0.248 1009 V C 2.497 178.566 176.094 -0.042 0.000 1.051 1009 V CA 1.234 63.538 62.300 0.006 0.000 1.048 1009 V CB -0.438 31.454 31.823 0.116 0.000 0.666 1009 V HN 0.146 nan 8.190 nan 0.000 0.456 1010 I N 0.209 120.808 120.570 0.048 0.000 2.208 1010 I HA -0.289 3.881 4.170 0.001 0.000 0.245 1010 I C 2.618 178.649 176.117 -0.143 0.000 1.097 1010 I CA 1.804 63.099 61.300 -0.008 0.000 1.363 1010 I CB -1.179 36.861 38.000 0.066 0.000 1.051 1010 I HN 0.462 nan 8.210 nan 0.000 0.413 1011 Q N -0.044 119.649 119.800 -0.180 0.000 2.084 1011 Q HA -0.162 4.178 4.340 0.001 0.000 0.202 1011 Q C 2.335 178.145 176.000 -0.317 0.000 0.978 1011 Q CA 1.063 56.610 55.803 -0.426 0.000 0.844 1011 Q CB -0.129 28.411 28.738 -0.329 0.000 0.898 1011 Q HN 0.394 nan 8.270 nan 0.000 0.426 1012 R N 0.565 120.985 120.500 -0.133 0.000 2.096 1012 R HA -0.073 4.268 4.340 0.001 0.000 0.235 1012 R C 2.129 178.412 176.300 -0.028 0.000 1.127 1012 R CA 1.062 57.155 56.100 -0.011 0.000 0.968 1012 R CB -0.624 29.692 30.300 0.027 0.000 0.861 1012 R HN 0.373 nan 8.270 nan 0.000 0.440 1013 I N 0.855 121.346 120.570 -0.131 0.000 2.286 1013 I HA -0.245 3.926 4.170 0.001 0.000 0.248 1013 I C 2.169 178.211 176.117 -0.125 0.000 1.115 1013 I CA 1.046 62.253 61.300 -0.156 0.000 1.392 1013 I CB -0.209 37.626 38.000 -0.275 0.000 1.065 1013 I HN 0.053 nan 8.210 nan 0.000 0.418 1014 L N 0.156 121.287 121.223 -0.154 0.000 2.201 1014 L HA -0.160 4.181 4.340 0.001 0.000 0.212 1014 L C 2.186 179.014 176.870 -0.071 0.000 1.105 1014 L CA 1.252 56.029 54.840 -0.104 0.000 0.775 1014 L CB -0.412 41.569 42.059 -0.130 0.000 0.913 1014 L HN 0.292 nan 8.230 nan 0.000 0.440 1015 E N -1.500 118.606 120.200 -0.158 0.000 2.250 1015 E HA -0.051 4.299 4.350 0.001 0.000 0.192 1015 E C 1.498 177.824 176.600 -0.457 0.000 0.986 1015 E CA 0.538 56.752 56.400 -0.311 0.000 0.849 1015 E CB 0.231 29.628 29.700 -0.504 0.000 0.797 1015 E HN 0.561 nan 8.360 nan 0.000 0.482 1016 H N -1.108 117.930 119.070 -0.052 0.000 3.017 1016 H HA 0.229 4.785 4.556 0.001 0.000 0.255 1016 H C 0.727 176.022 175.328 -0.056 0.000 0.990 1016 H CA -0.195 55.821 56.048 -0.054 0.000 1.205 1016 H CB 0.217 29.939 29.762 -0.066 0.000 1.460 1016 H HN 0.080 nan 8.280 nan 0.000 0.478 1017 C N 2.123 121.442 119.300 0.031 0.000 2.580 1017 C HA 0.270 4.730 4.460 0.001 0.000 0.371 1017 C C 1.132 176.116 174.990 -0.009 0.000 1.308 1017 C CA -0.604 58.409 59.018 -0.008 0.000 2.428 1017 C CB 0.493 28.199 27.740 -0.057 0.000 2.529 1017 C HN 0.201 nan 8.230 nan 0.000 0.657 1018 L N 2.376 123.593 121.223 -0.010 0.000 2.436 1018 L HA 0.204 4.544 4.340 0.001 0.000 0.265 1018 L C -1.343 175.524 176.870 -0.006 0.000 1.168 1018 L CA -1.053 53.785 54.840 -0.005 0.000 0.815 1018 L CB 0.076 42.134 42.059 -0.002 0.000 1.109 1018 L HN 0.456 nan 8.230 nan 0.000 0.462 1019 P HA -0.200 nan 4.420 nan 0.000 0.216 1019 P C 0.695 177.997 177.300 0.004 0.000 1.157 1019 P CA 1.284 64.387 63.100 0.005 0.000 0.880 1019 P CB 0.163 31.868 31.700 0.009 0.000 0.791 1020 D N -1.427 118.975 120.400 0.003 0.000 2.263 1020 D HA -0.135 4.506 4.640 0.001 0.000 0.208 1020 D C 1.956 178.255 176.300 -0.002 0.000 0.971 1020 D CA 1.009 55.012 54.000 0.004 0.000 0.867 1020 D CB -0.202 40.601 40.800 0.004 0.000 0.929 1020 D HN 0.386 nan 8.370 nan 0.000 0.492 1021 Q N -0.869 118.924 119.800 -0.011 0.000 2.259 1021 Q HA 0.003 4.343 4.340 0.001 0.000 0.201 1021 Q C 2.109 178.089 176.000 -0.033 0.000 0.938 1021 Q CA 1.172 56.958 55.803 -0.028 0.000 0.872 1021 Q CB 0.136 28.847 28.738 -0.045 0.000 0.971 1021 Q HN 0.302 nan 8.270 nan 0.000 0.494 1022 T N -0.606 113.932 114.554 -0.026 0.000 3.023 1022 T HA -0.023 4.328 4.350 0.001 0.000 0.266 1022 T C 1.799 176.497 174.700 -0.004 0.000 1.093 1022 T CA 0.220 62.305 62.100 -0.025 0.000 1.129 1022 T CB -0.073 68.784 68.868 -0.019 0.000 0.899 1022 T HN 0.054 nan 8.240 nan 0.000 0.491 1023 L N 3.089 124.317 121.223 0.009 0.000 1.970 1023 L HA 0.050 4.390 4.340 0.001 0.000 0.212 1023 L C -0.433 176.455 176.870 0.031 0.000 1.071 1023 L CA 2.035 56.890 54.840 0.026 0.000 0.751 1023 L CB -1.066 41.008 42.059 0.025 0.000 0.889 1023 L HN 0.150 nan 8.230 nan 0.000 0.432 1024 P HA -0.150 nan 4.420 nan 0.000 0.219 1024 P C 1.947 179.267 177.300 0.034 0.000 1.150 1024 P CA 1.426 64.546 63.100 0.032 0.000 0.814 1024 P CB -0.146 31.571 31.700 0.029 0.000 0.787 1025 I N -0.344 120.237 120.570 0.019 0.000 2.252 1025 I HA -0.163 4.007 4.170 0.001 0.000 0.245 1025 I C 2.648 178.759 176.117 -0.011 0.000 1.102 1025 I CA 1.168 62.479 61.300 0.019 0.000 1.385 1025 I CB -1.411 36.585 38.000 -0.006 0.000 1.064 1025 I HN -0.047 nan 8.210 nan 0.000 0.414 1026 L N 0.415 121.619 121.223 -0.032 0.000 2.083 1026 L HA -0.209 4.131 4.340 0.001 0.000 0.209 1026 L C 2.605 179.415 176.870 -0.100 0.000 1.083 1026 L CA 1.133 55.899 54.840 -0.122 0.000 0.752 1026 L CB -0.485 41.552 42.059 -0.036 0.000 0.899 1026 L HN 0.197 nan 8.230 nan 0.000 0.433 1027 E N 0.832 121.066 120.200 0.057 0.000 2.051 1027 E HA -0.249 4.102 4.350 0.001 0.000 0.192 1027 E C 1.974 178.626 176.600 0.085 0.000 0.991 1027 E CA 1.635 58.108 56.400 0.121 0.000 0.799 1027 E CB -0.032 29.721 29.700 0.089 0.000 0.748 1027 E HN 0.421 nan 8.360 nan 0.000 0.449 1028 E N -0.247 119.995 120.200 0.070 0.000 2.153 1028 E HA -0.128 4.222 4.350 0.001 0.000 0.194 1028 E C 2.198 178.874 176.600 0.126 0.000 0.988 1028 E CA 0.912 57.387 56.400 0.126 0.000 0.811 1028 E CB -0.111 29.666 29.700 0.129 0.000 0.746 1028 E HN 0.308 nan 8.360 nan 0.000 0.466 1029 L N 0.436 121.662 121.223 0.004 0.000 2.093 1029 L HA -0.168 4.173 4.340 0.001 0.000 0.208 1029 L C 2.373 179.206 176.870 -0.063 0.000 1.085 1029 L CA 0.821 55.636 54.840 -0.043 0.000 0.755 1029 L CB -0.372 41.594 42.059 -0.156 0.000 0.904 1029 L HN 0.242 nan 8.230 nan 0.000 0.435 1030 H N -1.023 118.068 119.070 0.036 0.000 2.395 1030 H HA -0.156 4.400 4.556 0.001 0.000 0.299 1030 H C 2.144 177.442 175.328 -0.050 0.000 1.070 1030 H CA 1.220 57.266 56.048 -0.003 0.000 1.356 1030 H CB 0.010 29.769 29.762 -0.006 0.000 1.401 1030 H HN 0.253 nan 8.280 nan 0.000 0.524 1031 Q N 0.712 120.536 119.800 0.041 0.000 2.170 1031 Q HA -0.112 4.228 4.340 0.001 0.000 0.203 1031 Q C 0.820 176.583 176.000 -0.395 0.000 0.976 1031 Q CA 1.375 57.083 55.803 -0.159 0.000 0.858 1031 Q CB -0.005 28.619 28.738 -0.190 0.000 0.907 1031 Q HN 0.562 nan 8.270 nan 0.000 0.433 1032 H N -1.157 117.810 119.070 -0.172 0.000 2.475 1032 H HA 0.228 4.785 4.556 0.001 0.000 0.276 1032 H C 0.753 175.962 175.328 -0.197 0.000 1.126 1032 H CA 0.380 56.220 56.048 -0.345 0.000 1.023 1032 H CB 0.612 29.928 29.762 -0.744 0.000 1.669 1032 H HN 0.193 nan 8.280 nan 0.000 0.573 1033 T N 0.721 115.262 114.554 -0.022 0.000 2.684 1033 T HA -0.208 4.142 4.350 0.001 0.000 0.267 1033 T C 1.959 176.649 174.700 -0.016 0.000 1.036 1033 T CA 1.696 63.801 62.100 0.010 0.000 1.148 1033 T CB 0.143 69.033 68.868 0.038 0.000 0.863 1033 T HN 0.533 nan 8.240 nan 0.000 0.436 1034 E N 0.648 120.818 120.200 -0.049 0.000 2.070 1034 E HA -0.261 4.089 4.350 0.001 0.000 0.197 1034 E C 2.240 178.811 176.600 -0.048 0.000 1.004 1034 E CA 1.514 57.881 56.400 -0.055 0.000 0.805 1034 E CB -0.058 29.601 29.700 -0.069 0.000 0.744 1034 E HN 0.576 nan 8.360 nan 0.000 0.451 1035 Q N -0.042 119.732 119.800 -0.044 0.000 2.123 1035 Q HA -0.061 4.279 4.340 0.001 0.000 0.199 1035 Q C 2.430 178.483 176.000 0.089 0.000 0.966 1035 Q CA 1.005 56.823 55.803 0.025 0.000 0.845 1035 Q CB 0.031 28.793 28.738 0.040 0.000 0.907 1035 Q HN 0.345 nan 8.270 nan 0.000 0.439 1036 L N 0.465 121.753 121.223 0.107 0.000 2.046 1036 L HA -0.169 4.172 4.340 0.001 0.000 0.208 1036 L C 2.481 179.367 176.870 0.026 0.000 1.077 1036 L CA 1.044 55.961 54.840 0.128 0.000 0.747 1036 L CB -0.797 41.347 42.059 0.142 0.000 0.896 1036 L HN 0.249 nan 8.230 nan 0.000 0.432 1037 V N -2.636 117.272 119.914 -0.011 0.000 2.568 1037 V HA -0.279 3.841 4.120 0.001 0.000 0.253 1037 V C 1.834 177.875 176.094 -0.088 0.000 1.072 1037 V CA 1.592 63.863 62.300 -0.049 0.000 1.084 1037 V CB -0.733 31.055 31.823 -0.058 0.000 0.676 1037 V HN 0.554 nan 8.190 nan 0.000 0.469 1038 Q N 0.414 120.139 119.800 -0.125 0.000 2.360 1038 Q HA 0.172 4.512 4.340 0.001 0.000 0.202 1038 Q C 0.370 176.348 176.000 -0.036 0.000 0.915 1038 Q CA 0.277 55.966 55.803 -0.189 0.000 0.943 1038 Q CB 0.201 28.731 28.738 -0.348 0.000 1.064 1038 Q HN 0.810 nan 8.270 nan 0.000 0.511 1039 D N 0.076 120.409 120.400 -0.111 0.000 2.304 1039 D HA -0.003 4.638 4.640 0.001 0.000 0.247 1039 D C 0.785 176.721 176.300 -0.607 0.000 1.089 1039 D CA 0.047 53.902 54.000 -0.241 0.000 0.910 1039 D CB 1.029 41.776 40.800 -0.090 0.000 1.199 1039 D HN -0.061 nan 8.370 nan 0.000 0.426 1040 Q N 1.661 120.878 119.800 -0.971 0.000 2.197 1040 Q HA -0.217 4.123 4.340 0.001 0.000 0.207 1040 Q C 0.684 176.103 176.000 -0.969 0.000 0.984 1040 Q CA 1.581 56.497 55.803 -1.478 0.000 0.869 1040 Q CB -0.032 27.998 28.738 -1.181 0.000 0.906 1040 Q HN 0.686 nan 8.270 nan 0.000 0.426 1041 Y N -2.067 118.096 120.300 -0.229 0.000 2.589 1041 Y HA 0.242 4.792 4.550 0.001 0.000 0.271 1041 Y C 2.354 178.277 175.900 0.039 0.000 1.107 1041 Y CA 0.044 58.150 58.100 0.011 0.000 1.273 1041 Y CB -0.078 38.362 38.460 -0.033 0.000 1.266 1041 Y HN 0.079 nan 8.280 nan 0.000 0.504 1042 G N 1.294 110.143 108.800 0.081 0.000 2.450 1042 G HA2 -0.365 3.595 3.960 0.001 0.000 0.220 1042 G HA3 -0.365 3.595 3.960 0.001 0.000 0.220 1042 G C 1.306 176.231 174.900 0.041 0.000 1.130 1042 G CA 1.435 46.584 45.100 0.081 0.000 0.760 1042 G HN 0.587 nan 8.290 nan 0.000 0.557 1043 N N -0.584 118.074 118.700 -0.070 0.000 2.272 1043 N HA -0.183 4.557 4.740 0.001 0.000 0.185 1043 N C 1.768 177.211 175.510 -0.113 0.000 1.014 1043 N CA 1.408 54.384 53.050 -0.123 0.000 0.870 1043 N CB -0.625 37.742 38.487 -0.200 0.000 0.975 1043 N HN 0.497 nan 8.380 nan 0.000 0.433 1044 Y N -0.125 120.210 120.300 0.058 0.000 2.263 1044 Y HA 0.004 4.555 4.550 0.001 0.000 0.292 1044 Y C 2.349 178.314 175.900 0.108 0.000 1.130 1044 Y CA 0.742 58.894 58.100 0.086 0.000 1.179 1044 Y CB 0.010 38.532 38.460 0.103 0.000 0.998 1044 Y HN -0.010 nan 8.280 nan 0.000 0.532 1045 V N -0.076 119.976 119.914 0.230 0.000 2.343 1045 V HA -0.294 3.827 4.120 0.001 0.000 0.247 1045 V C 2.122 178.299 176.094 0.139 0.000 1.051 1045 V CA 1.303 63.698 62.300 0.158 0.000 1.036 1045 V CB -0.499 31.384 31.823 0.101 0.000 0.654 1045 V HN 0.364 nan 8.190 nan 0.000 0.451 1046 I N -0.020 120.608 120.570 0.096 0.000 2.252 1046 I HA -0.231 3.939 4.170 0.001 0.000 0.245 1046 I C 2.580 178.736 176.117 0.066 0.000 1.102 1046 I CA 1.547 62.887 61.300 0.066 0.000 1.385 1046 I CB -1.301 36.722 38.000 0.039 0.000 1.064 1046 I HN 0.445 nan 8.210 nan 0.000 0.414 1047 Q N -0.525 119.317 119.800 0.070 0.000 2.084 1047 Q HA -0.243 4.097 4.340 0.001 0.000 0.202 1047 Q C 2.325 178.337 176.000 0.019 0.000 0.978 1047 Q CA 1.387 57.213 55.803 0.038 0.000 0.844 1047 Q CB -0.385 28.390 28.738 0.061 0.000 0.898 1047 Q HN 0.537 nan 8.270 nan 0.000 0.426 1048 H N 0.444 119.536 119.070 0.035 0.000 2.319 1048 H HA -0.138 4.418 4.556 0.001 0.000 0.297 1048 H C 1.915 177.242 175.328 -0.002 0.000 1.097 1048 H CA 1.755 57.840 56.048 0.063 0.000 1.285 1048 H CB 0.077 29.918 29.762 0.132 0.000 1.368 1048 H HN 0.082 nan 8.280 nan 0.000 0.495 1049 V N 1.229 121.249 119.914 0.177 0.000 2.427 1049 V HA -0.230 3.890 4.120 0.001 0.000 0.248 1049 V C 3.044 179.112 176.094 -0.044 0.000 1.051 1049 V CA 1.397 63.755 62.300 0.098 0.000 1.048 1049 V CB -0.578 31.296 31.823 0.085 0.000 0.666 1049 V HN 0.291 nan 8.190 nan 0.000 0.456 1050 L N -0.298 120.870 121.223 -0.093 0.000 2.201 1050 L HA -0.136 4.204 4.340 0.001 0.000 0.212 1050 L C 2.446 179.021 176.870 -0.492 0.000 1.105 1050 L CA 1.474 56.214 54.840 -0.166 0.000 0.775 1050 L CB -0.420 41.591 42.059 -0.081 0.000 0.913 1050 L HN 0.414 nan 8.230 nan 0.000 0.440 1051 E N -1.505 118.296 120.200 -0.665 0.000 2.340 1051 E HA -0.028 4.323 4.350 0.001 0.000 0.194 1051 E C 0.950 176.941 176.600 -1.015 0.000 0.996 1051 E CA 0.496 56.243 56.400 -1.088 0.000 0.869 1051 E CB 0.342 29.385 29.700 -1.095 0.000 0.835 1051 E HN 0.599 nan 8.360 nan 0.000 0.493 1052 H N -1.290 117.607 119.070 -0.288 0.000 3.680 1052 H HA 0.213 4.769 4.556 0.001 0.000 0.260 1052 H C 0.880 176.157 175.328 -0.085 0.000 1.183 1052 H CA 0.232 56.161 56.048 -0.197 0.000 1.159 1052 H CB 0.449 30.042 29.762 -0.281 0.000 1.567 1052 H HN 0.006 nan 8.280 nan 0.000 0.648 1053 G N 1.315 110.124 108.800 0.014 0.000 2.651 1053 G HA2 0.290 4.250 3.960 0.001 0.000 0.260 1053 G HA3 0.290 4.250 3.960 0.001 0.000 0.260 1053 G C 0.184 175.106 174.900 0.036 0.000 1.216 1053 G CA -0.598 44.533 45.100 0.051 0.000 0.913 1053 G HN 0.100 nan 8.290 nan 0.000 0.535 1054 R N 0.897 121.427 120.500 0.050 0.000 2.539 1054 R HA 0.153 4.493 4.340 0.001 0.000 0.275 1054 R C -1.110 175.213 176.300 0.040 0.000 1.077 1054 R CA -1.263 54.862 56.100 0.042 0.000 1.097 1054 R CB 1.138 31.465 30.300 0.045 0.000 1.018 1054 R HN 0.345 nan 8.270 nan 0.000 0.483 1055 P HA -0.248 nan 4.420 nan 0.000 0.216 1055 P C 0.805 178.118 177.300 0.021 0.000 1.150 1055 P CA 1.434 64.550 63.100 0.026 0.000 0.843 1055 P CB 0.354 32.067 31.700 0.022 0.000 0.787 1056 E N 0.553 120.764 120.200 0.017 0.000 2.058 1056 E HA -0.190 4.160 4.350 0.001 0.000 0.194 1056 E C 1.829 178.422 176.600 -0.011 0.000 0.997 1056 E CA 1.655 58.053 56.400 -0.003 0.000 0.801 1056 E CB -0.806 28.892 29.700 -0.002 0.000 0.746 1056 E HN 0.147 nan 8.360 nan 0.000 0.450 1057 D N 0.054 120.485 120.400 0.052 0.000 2.144 1057 D HA -0.123 4.517 4.640 0.001 0.000 0.200 1057 D C 1.775 178.160 176.300 0.141 0.000 0.978 1057 D CA 0.977 55.068 54.000 0.151 0.000 0.833 1057 D CB -0.075 40.879 40.800 0.257 0.000 0.961 1057 D HN 0.270 nan 8.370 nan 0.000 0.470 1058 K N 0.714 121.162 120.400 0.080 0.000 2.026 1058 K HA -0.052 4.268 4.320 0.001 0.000 0.208 1058 K C 2.362 178.986 176.600 0.040 0.000 1.048 1058 K CA 0.921 57.245 56.287 0.060 0.000 0.929 1058 K CB -0.106 32.419 32.500 0.042 0.000 0.713 1058 K HN -0.071 nan 8.250 nan 0.000 0.439 1059 S N 1.346 117.055 115.700 0.014 0.000 2.383 1059 S HA -0.133 4.338 4.470 0.001 0.000 0.229 1059 S C 1.770 176.354 174.600 -0.027 0.000 1.030 1059 S CA 1.293 59.489 58.200 -0.006 0.000 1.002 1059 S CB -0.100 63.090 63.200 -0.017 0.000 0.829 1059 S HN 0.274 nan 8.310 nan 0.000 0.467 1060 K N 0.739 121.098 120.400 -0.069 0.000 2.057 1060 K HA -0.005 4.315 4.320 0.001 0.000 0.207 1060 K C 1.987 178.574 176.600 -0.022 0.000 1.049 1060 K CA 1.204 57.418 56.287 -0.121 0.000 0.931 1060 K CB -0.327 31.937 32.500 -0.394 0.000 0.714 1060 K HN 0.337 nan 8.250 nan 0.000 0.440 1061 I N 0.570 121.172 120.570 0.053 0.000 2.179 1061 I HA -0.281 3.890 4.170 0.001 0.000 0.242 1061 I C 2.211 178.347 176.117 0.032 0.000 1.088 1061 I CA 1.028 62.373 61.300 0.075 0.000 1.357 1061 I CB -0.307 37.749 38.000 0.094 0.000 1.051 1061 I HN -0.063 nan 8.210 nan 0.000 0.409 1062 V N 1.233 121.161 119.914 0.024 0.000 2.324 1062 V HA -0.340 3.780 4.120 0.001 0.000 0.250 1062 V C 2.640 178.735 176.094 0.002 0.000 1.060 1062 V CA 2.095 64.404 62.300 0.014 0.000 1.042 1062 V CB -1.039 30.793 31.823 0.015 0.000 0.650 1062 V HN 0.540 nan 8.190 nan 0.000 0.450 1063 A N -1.064 121.752 122.820 -0.007 0.000 2.172 1063 A HA -0.147 4.173 4.320 0.001 0.000 0.216 1063 A C 2.142 179.717 177.584 -0.016 0.000 1.154 1063 A CA 1.285 53.313 52.037 -0.015 0.000 0.701 1063 A CB -0.284 18.700 19.000 -0.027 0.000 0.789 1063 A HN 0.531 nan 8.150 nan 0.000 0.465 1064 E N -0.414 119.780 120.200 -0.011 0.000 2.250 1064 E HA 0.001 4.351 4.350 0.001 0.000 0.192 1064 E C 1.723 178.314 176.600 -0.014 0.000 0.986 1064 E CA 0.354 56.745 56.400 -0.014 0.000 0.849 1064 E CB -0.078 29.617 29.700 -0.008 0.000 0.797 1064 E HN 0.542 nan 8.360 nan 0.000 0.482 1065 I N 0.727 121.292 120.570 -0.008 0.000 2.406 1065 I HA -0.078 4.092 4.170 0.001 0.000 0.249 1065 I C 1.076 177.189 176.117 -0.007 0.000 1.122 1065 I CA 0.449 61.745 61.300 -0.008 0.000 1.431 1065 I CB -0.626 37.374 38.000 -0.000 0.000 1.087 1065 I HN -0.113 nan 8.210 nan 0.000 0.424 1066 R N 0.900 121.396 120.500 -0.006 0.000 2.538 1066 R HA 0.168 4.509 4.340 0.001 0.000 0.282 1066 R C 1.273 177.569 176.300 -0.007 0.000 1.009 1066 R CA 1.002 57.099 56.100 -0.005 0.000 1.063 1066 R CB 0.015 30.311 30.300 -0.006 0.000 0.945 1066 R HN 0.508 nan 8.270 nan 0.000 0.414 1067 G N 2.521 111.318 108.800 -0.005 0.000 2.217 1067 G HA2 -0.262 3.698 3.960 0.001 0.000 0.246 1067 G HA3 -0.262 3.698 3.960 0.001 0.000 0.246 1067 G C 0.356 175.253 174.900 -0.005 0.000 0.990 1067 G CA 0.119 45.216 45.100 -0.005 0.000 0.627 1067 G HN 0.685 nan 8.290 nan 0.000 0.522 1068 N N 0.063 118.759 118.700 -0.006 0.000 2.241 1068 N HA 0.235 4.975 4.740 0.001 0.000 0.238 1068 N C 1.767 177.276 175.510 -0.002 0.000 1.244 1068 N CA 0.576 53.623 53.050 -0.006 0.000 0.880 1068 N CB 1.030 39.508 38.487 -0.014 0.000 1.179 1068 N HN 0.244 nan 8.380 nan 0.000 0.513 1069 V N 1.157 121.072 119.914 0.001 0.000 2.252 1069 V HA -0.251 3.870 4.120 0.001 0.000 0.249 1069 V C 2.434 178.534 176.094 0.010 0.000 1.056 1069 V CA 1.513 63.816 62.300 0.006 0.000 1.022 1069 V CB -0.395 31.432 31.823 0.007 0.000 0.641 1069 V HN 0.240 nan 8.190 nan 0.000 0.445 1070 L N -0.038 121.190 121.223 0.008 0.000 1.990 1070 L HA -0.164 4.176 4.340 0.001 0.000 0.213 1070 L C 2.357 179.236 176.870 0.014 0.000 1.072 1070 L CA 2.071 56.917 54.840 0.009 0.000 0.755 1070 L CB -0.586 41.477 42.059 0.005 0.000 0.889 1070 L HN 0.125 nan 8.230 nan 0.000 0.432 1071 V N -0.421 119.502 119.914 0.014 0.000 2.307 1071 V HA -0.283 3.838 4.120 0.001 0.000 0.245 1071 V C 2.525 178.644 176.094 0.042 0.000 1.045 1071 V CA 2.008 64.323 62.300 0.025 0.000 1.024 1071 V CB -0.498 31.335 31.823 0.017 0.000 0.651 1071 V HN 0.455 nan 8.190 nan 0.000 0.449 1072 L N 0.732 121.967 121.223 0.021 0.000 2.093 1072 L HA -0.110 4.230 4.340 0.001 0.000 0.208 1072 L C 2.628 179.526 176.870 0.047 0.000 1.085 1072 L CA 1.657 56.508 54.840 0.019 0.000 0.755 1072 L CB -0.732 41.315 42.059 -0.020 0.000 0.904 1072 L HN 0.539 nan 8.230 nan 0.000 0.435 1073 S N -1.040 114.683 115.700 0.038 0.000 2.474 1073 S HA -0.198 4.272 4.470 0.001 0.000 0.235 1073 S C 1.634 176.281 174.600 0.079 0.000 0.997 1073 S CA 0.719 58.948 58.200 0.047 0.000 0.949 1073 S CB -0.249 62.974 63.200 0.039 0.000 0.766 1073 S HN 0.510 nan 8.310 nan 0.000 0.517 1074 Q N 0.139 119.991 119.800 0.087 0.000 2.320 1074 Q HA 0.187 4.527 4.340 0.001 0.000 0.201 1074 Q C -0.058 176.045 176.000 0.172 0.000 0.910 1074 Q CA -0.031 55.843 55.803 0.117 0.000 0.946 1074 Q CB 0.219 28.992 28.738 0.059 0.000 1.062 1074 Q HN 0.644 nan 8.270 nan 0.000 0.503 1075 H N 0.663 119.723 119.070 -0.016 0.000 2.458 1075 H HA 0.117 4.673 4.556 0.001 0.000 0.330 1075 H C 0.601 175.620 175.328 -0.515 0.000 1.111 1075 H CA 0.102 56.067 56.048 -0.139 0.000 1.245 1075 H CB 1.409 31.119 29.762 -0.085 0.000 1.456 1075 H HN -0.029 nan 8.280 nan 0.000 0.488 1076 K N 3.367 123.063 120.400 -1.174 0.000 2.103 1076 K HA -0.135 4.185 4.320 0.001 0.000 0.207 1076 K C 0.848 176.775 176.600 -1.122 0.000 1.048 1076 K CA 1.631 56.847 56.287 -1.786 0.000 0.930 1076 K CB 0.114 31.626 32.500 -1.646 0.000 0.716 1076 K HN 0.464 nan 8.250 nan 0.000 0.444 1077 F N -0.234 119.612 119.950 -0.174 0.000 2.243 1077 F HA 0.152 4.679 4.527 0.001 0.000 0.287 1077 F C 2.409 178.160 175.800 -0.083 0.000 1.067 1077 F CA 0.417 58.360 58.000 -0.094 0.000 1.304 1077 F CB -0.338 38.649 39.000 -0.022 0.000 1.087 1077 F HN 0.011 nan 8.300 nan 0.000 0.513 1078 A N 0.337 123.267 122.820 0.182 0.000 2.070 1078 A HA -0.161 4.159 4.320 0.001 0.000 0.220 1078 A C 2.251 179.819 177.584 -0.026 0.000 1.159 1078 A CA 1.671 53.695 52.037 -0.021 0.000 0.656 1078 A CB -1.123 17.787 19.000 -0.150 0.000 0.800 1078 A HN 0.430 nan 8.150 nan 0.000 0.453 1079 S N 1.275 116.950 115.700 -0.042 0.000 2.370 1079 S HA -0.251 4.219 4.470 0.001 0.000 0.226 1079 S C 1.696 176.264 174.600 -0.052 0.000 1.033 1079 S CA 1.430 59.602 58.200 -0.047 0.000 1.011 1079 S CB -0.809 62.343 63.200 -0.079 0.000 0.852 1079 S HN 0.662 nan 8.310 nan 0.000 0.457 1080 N N 1.553 120.194 118.700 -0.099 0.000 2.223 1080 N HA -0.042 4.698 4.740 0.001 0.000 0.185 1080 N C 1.792 177.277 175.510 -0.041 0.000 1.016 1080 N CA 1.454 54.454 53.050 -0.083 0.000 0.863 1080 N CB -0.553 37.856 38.487 -0.130 0.000 0.983 1080 N HN 0.382 nan 8.380 nan 0.000 0.429 1081 V N 1.149 121.037 119.914 -0.043 0.000 2.548 1081 V HA -0.103 4.017 4.120 0.001 0.000 0.249 1081 V C 2.440 178.535 176.094 0.002 0.000 1.055 1081 V CA 1.022 63.311 62.300 -0.019 0.000 1.065 1081 V CB -0.448 31.359 31.823 -0.026 0.000 0.681 1081 V HN 0.180 nan 8.190 nan 0.000 0.462 1082 V N -0.400 119.514 119.914 -0.001 0.000 2.667 1082 V HA -0.165 3.955 4.120 0.001 0.000 0.252 1082 V C 2.167 178.274 176.094 0.023 0.000 1.065 1082 V CA 1.984 64.290 62.300 0.011 0.000 1.083 1082 V CB -0.242 31.588 31.823 0.010 0.000 0.692 1082 V HN 0.639 nan 8.190 nan 0.000 0.468 1083 E N 0.025 120.240 120.200 0.024 0.000 2.051 1083 E HA -0.235 4.116 4.350 0.001 0.000 0.192 1083 E C 2.215 178.843 176.600 0.046 0.000 0.991 1083 E CA 1.508 57.929 56.400 0.035 0.000 0.799 1083 E CB -0.147 29.575 29.700 0.037 0.000 0.748 1083 E HN 0.412 nan 8.360 nan 0.000 0.449 1084 K N 0.391 120.829 120.400 0.065 0.000 2.152 1084 K HA -0.111 4.209 4.320 0.001 0.000 0.206 1084 K C 1.956 178.644 176.600 0.146 0.000 1.048 1084 K CA 0.841 57.212 56.287 0.141 0.000 0.933 1084 K CB -0.565 31.997 32.500 0.104 0.000 0.721 1084 K HN 0.175 nan 8.250 nan 0.000 0.447 1085 C N -0.734 118.611 119.300 0.075 0.000 2.453 1085 C HA -0.031 4.429 4.460 0.001 0.000 0.277 1085 C C 2.521 177.535 174.990 0.041 0.000 1.262 1085 C CA 0.385 59.439 59.018 0.060 0.000 1.718 1085 C CB -0.607 27.154 27.740 0.035 0.000 2.031 1085 C HN 0.217 nan 8.230 nan 0.000 0.480 1086 V N 0.747 120.674 119.914 0.023 0.000 2.287 1086 V HA -0.257 3.863 4.120 0.001 0.000 0.248 1086 V C 2.533 178.607 176.094 -0.034 0.000 1.053 1086 V CA 2.692 64.992 62.300 0.000 0.000 1.027 1086 V CB -1.102 30.724 31.823 0.004 0.000 0.646 1086 V HN 0.605 nan 8.190 nan 0.000 0.447 1087 T N -1.390 113.123 114.554 -0.070 0.000 2.821 1087 T HA -0.127 4.223 4.350 0.001 0.000 0.267 1087 T C 1.518 175.987 174.700 -0.386 0.000 1.046 1087 T CA 1.314 63.274 62.100 -0.233 0.000 1.139 1087 T CB -0.250 68.422 68.868 -0.326 0.000 0.871 1087 T HN 0.585 nan 8.240 nan 0.000 0.454 1088 H N -0.144 118.919 119.070 -0.012 0.000 2.652 1088 H HA 0.580 5.136 4.556 0.001 0.000 0.274 1088 H C 1.053 176.375 175.328 -0.010 0.000 1.021 1088 H CA -0.234 55.804 56.048 -0.018 0.000 1.187 1088 H CB 0.073 29.813 29.762 -0.036 0.000 1.505 1088 H HN 0.299 nan 8.280 nan 0.000 0.530 1089 A N 1.671 124.528 122.820 0.062 0.000 2.366 1089 A HA 0.277 4.597 4.320 0.001 0.000 0.250 1089 A C 1.056 178.655 177.584 0.026 0.000 1.099 1089 A CA 0.021 52.083 52.037 0.042 0.000 0.794 1089 A CB 0.284 19.298 19.000 0.024 0.000 1.056 1089 A HN 0.386 nan 8.150 nan 0.000 0.499 1090 S N -0.071 115.641 115.700 0.021 0.000 2.617 1090 S HA 0.201 4.672 4.470 0.001 0.000 0.259 1090 S C 1.100 175.704 174.600 0.007 0.000 1.301 1090 S CA 0.071 58.279 58.200 0.014 0.000 0.984 1090 S CB 0.357 63.564 63.200 0.012 0.000 0.954 1090 S HN 0.660 nan 8.310 nan 0.000 0.572 1091 R N 0.046 120.548 120.500 0.004 0.000 2.083 1091 R HA -0.079 4.261 4.340 0.001 0.000 0.237 1091 R C 2.485 178.786 176.300 0.001 0.000 1.137 1091 R CA 2.001 58.102 56.100 0.001 0.000 0.951 1091 R CB -1.372 28.929 30.300 0.002 0.000 0.851 1091 R HN 0.763 nan 8.270 nan 0.000 0.434 1092 T N 1.038 115.593 114.554 0.002 0.000 2.674 1092 T HA -0.144 4.207 4.350 0.001 0.000 0.265 1092 T C 1.620 176.320 174.700 0.001 0.000 1.039 1092 T CA 1.506 63.607 62.100 0.001 0.000 1.150 1092 T CB -0.179 68.689 68.868 0.001 0.000 0.864 1092 T HN 0.378 nan 8.240 nan 0.000 0.427 1093 E N 0.675 120.877 120.200 0.003 0.000 2.085 1093 E HA -0.180 4.170 4.350 0.001 0.000 0.194 1093 E C 2.360 178.962 176.600 0.004 0.000 0.994 1093 E CA 1.000 57.402 56.400 0.004 0.000 0.801 1093 E CB -0.145 29.559 29.700 0.007 0.000 0.743 1093 E HN 0.373 nan 8.360 nan 0.000 0.453 1094 R N 0.947 121.449 120.500 0.002 0.000 2.073 1094 R HA -0.143 4.197 4.340 0.001 0.000 0.234 1094 R C 2.268 178.568 176.300 -0.001 0.000 1.134 1094 R CA 1.514 57.614 56.100 -0.001 0.000 0.952 1094 R CB -0.297 29.999 30.300 -0.006 0.000 0.850 1094 R HN 0.156 nan 8.270 nan 0.000 0.433 1095 A N 0.406 123.226 122.820 -0.001 0.000 1.908 1095 A HA -0.104 4.216 4.320 0.001 0.000 0.218 1095 A C 2.313 179.898 177.584 0.001 0.000 1.181 1095 A CA 1.686 53.723 52.037 -0.000 0.000 0.627 1095 A CB -0.605 18.395 19.000 -0.000 0.000 0.818 1095 A HN 0.253 nan 8.150 nan 0.000 0.445 1096 V N -0.013 119.902 119.914 0.001 0.000 2.343 1096 V HA -0.241 3.879 4.120 0.001 0.000 0.247 1096 V C 2.564 178.660 176.094 0.003 0.000 1.051 1096 V CA 1.907 64.209 62.300 0.002 0.000 1.036 1096 V CB -0.664 31.159 31.823 0.001 0.000 0.654 1096 V HN 0.574 nan 8.190 nan 0.000 0.451 1097 L N -0.773 120.452 121.223 0.003 0.000 2.046 1097 L HA -0.182 4.158 4.340 0.001 0.000 0.208 1097 L C 2.332 179.205 176.870 0.006 0.000 1.077 1097 L CA 1.701 56.543 54.840 0.005 0.000 0.747 1097 L CB -0.457 41.606 42.059 0.006 0.000 0.896 1097 L HN 0.267 nan 8.230 nan 0.000 0.432 1098 I N -0.100 120.472 120.570 0.004 0.000 2.252 1098 I HA -0.299 3.872 4.170 0.001 0.000 0.245 1098 I C 2.206 178.327 176.117 0.007 0.000 1.102 1098 I CA 1.597 62.900 61.300 0.004 0.000 1.385 1098 I CB -0.357 37.643 38.000 -0.000 0.000 1.064 1098 I HN 0.317 nan 8.210 nan 0.000 0.414 1099 D N 1.003 121.407 120.400 0.007 0.000 2.144 1099 D HA -0.288 4.352 4.640 0.001 0.000 0.199 1099 D C 2.074 178.380 176.300 0.011 0.000 0.984 1099 D CA 1.400 55.405 54.000 0.010 0.000 0.834 1099 D CB -0.013 40.791 40.800 0.008 0.000 0.955 1099 D HN 0.357 nan 8.370 nan 0.000 0.465 1100 E N -0.298 119.908 120.200 0.009 0.000 2.097 1100 E HA -0.217 4.133 4.350 0.001 0.000 0.196 1100 E C 1.880 178.488 176.600 0.013 0.000 1.000 1100 E CA 1.992 58.398 56.400 0.009 0.000 0.804 1100 E CB -0.033 29.671 29.700 0.006 0.000 0.740 1100 E HN 0.366 nan 8.360 nan 0.000 0.454 1101 V N -2.150 117.773 119.914 0.014 0.000 3.649 1101 V HA 0.079 4.199 4.120 0.001 0.000 0.275 1101 V C 1.808 177.917 176.094 0.025 0.000 1.281 1101 V CA 0.411 62.722 62.300 0.019 0.000 1.143 1101 V CB -0.058 31.775 31.823 0.016 0.000 0.892 1101 V HN 0.356 nan 8.190 nan 0.000 0.441 1102 C N 0.438 119.753 119.300 0.023 0.000 2.735 1102 C HA 0.167 4.628 4.460 0.001 0.000 0.271 1102 C C 2.585 177.593 174.990 0.030 0.000 1.281 1102 C CA 1.176 60.211 59.018 0.029 0.000 1.719 1102 C CB -0.525 27.230 27.740 0.025 0.000 2.024 1102 C HN 0.675 nan 8.230 nan 0.000 0.566 1103 T N -0.085 114.484 114.554 0.024 0.000 3.044 1103 T HA 0.105 4.455 4.350 0.001 0.000 0.237 1103 T C 0.736 175.450 174.700 0.023 0.000 1.001 1103 T CA 0.099 62.212 62.100 0.022 0.000 1.160 1103 T CB -0.196 68.682 68.868 0.017 0.000 0.889 1103 T HN 0.412 nan 8.240 nan 0.000 0.442 1104 M N 2.594 122.206 119.600 0.020 0.000 2.248 1104 M HA 0.028 4.508 4.480 0.001 0.000 0.343 1104 M C -0.704 175.612 176.300 0.027 0.000 1.243 1104 M CA 0.857 56.169 55.300 0.019 0.000 1.025 1104 M CB 0.132 32.741 32.600 0.015 0.000 1.759 1104 M HN 0.138 nan 8.290 nan 0.000 0.452 1105 N N 3.045 121.759 118.700 0.023 0.000 2.408 1105 N HA 0.159 4.899 4.740 0.001 0.000 0.280 1105 N C -1.625 173.896 175.510 0.019 0.000 1.002 1105 N CA -0.668 52.400 53.050 0.030 0.000 0.907 1105 N CB 0.976 39.477 38.487 0.022 0.000 1.161 1105 N HN 0.551 nan 8.380 nan 0.000 0.488 1106 D N 2.753 123.169 120.400 0.026 0.000 2.499 1106 D HA 0.324 4.965 4.640 0.001 0.000 0.225 1106 D C 0.891 177.183 176.300 -0.013 0.000 1.124 1106 D CA 0.345 54.350 54.000 0.007 0.000 0.938 1106 D CB 0.011 40.816 40.800 0.009 0.000 1.014 1106 D HN 0.827 nan 8.370 nan 0.000 0.517 1107 G N 5.016 113.798 108.800 -0.030 0.000 2.552 1107 G HA2 -0.274 3.686 3.960 0.001 0.000 0.267 1107 G HA3 -0.274 3.686 3.960 0.001 0.000 0.267 1107 G C -1.231 173.612 174.900 -0.095 0.000 1.174 1107 G CA 0.116 45.177 45.100 -0.065 0.000 0.955 1107 G HN 0.464 nan 8.290 nan 0.000 0.546 1108 P HA 0.154 nan 4.420 nan 0.000 0.217 1108 P C 0.266 177.475 177.300 -0.151 0.000 1.153 1108 P CA 1.161 64.110 63.100 -0.252 0.000 0.843 1108 P CB 0.064 31.489 31.700 -0.458 0.000 0.794 1109 H N 0.636 119.763 119.070 0.095 0.000 2.483 1109 H HA 0.293 4.849 4.556 0.001 0.000 0.338 1109 H C 0.913 176.305 175.328 0.107 0.000 1.152 1109 H CA -0.811 55.316 56.048 0.131 0.000 1.264 1109 H CB 0.665 30.594 29.762 0.278 0.000 1.510 1109 H HN 0.094 nan 8.280 nan 0.000 0.530 1110 S N 0.289 116.127 115.700 0.230 0.000 2.572 1110 S HA 0.075 4.545 4.470 0.001 0.000 0.262 1110 S C 1.499 176.169 174.600 0.117 0.000 1.375 1110 S CA -0.149 58.133 58.200 0.137 0.000 0.996 1110 S CB 0.533 63.802 63.200 0.114 0.000 0.892 1110 S HN 0.774 nan 8.310 nan 0.000 0.562 1111 A N 0.822 123.681 122.820 0.065 0.000 1.930 1111 A HA 0.003 4.324 4.320 0.001 0.000 0.217 1111 A C 2.056 179.657 177.584 0.030 0.000 1.175 1111 A CA 1.360 53.418 52.037 0.035 0.000 0.627 1111 A CB -0.932 18.081 19.000 0.023 0.000 0.815 1111 A HN 0.875 nan 8.150 nan 0.000 0.443 1112 L N -1.689 119.563 121.223 0.049 0.000 2.083 1112 L HA -0.156 4.184 4.340 0.001 0.000 0.209 1112 L C 2.274 179.172 176.870 0.046 0.000 1.083 1112 L CA 2.019 56.885 54.840 0.042 0.000 0.752 1112 L CB -0.800 41.291 42.059 0.055 0.000 0.899 1112 L HN 0.537 nan 8.230 nan 0.000 0.433 1113 Y N -0.128 120.101 120.300 -0.117 0.000 2.242 1113 Y HA -0.202 4.348 4.550 0.001 0.000 0.291 1113 Y C 2.464 178.233 175.900 -0.219 0.000 1.137 1113 Y CA 1.981 59.923 58.100 -0.264 0.000 1.181 1113 Y CB -0.790 37.406 38.460 -0.441 0.000 0.989 1113 Y HN 0.192 nan 8.280 nan 0.000 0.527 1114 T N 0.619 115.051 114.554 -0.203 0.000 2.777 1114 T HA -0.204 4.146 4.350 0.001 0.000 0.266 1114 T C 2.023 176.590 174.700 -0.223 0.000 1.040 1114 T CA 1.880 63.820 62.100 -0.267 0.000 1.141 1114 T CB -0.270 68.525 68.868 -0.121 0.000 0.868 1114 T HN 0.321 nan 8.240 nan 0.000 0.444 1115 M N 0.378 119.901 119.600 -0.127 0.000 2.117 1115 M HA -0.020 4.461 4.480 0.001 0.000 0.262 1115 M C 2.410 178.646 176.300 -0.108 0.000 1.065 1115 M CA 1.602 56.850 55.300 -0.087 0.000 1.114 1115 M CB -0.503 32.077 32.600 -0.033 0.000 1.361 1115 M HN 0.220 nan 8.290 nan 0.000 0.408 1116 M N -0.344 119.181 119.600 -0.125 0.000 2.202 1116 M HA -0.211 4.270 4.480 0.001 0.000 0.262 1116 M C 1.571 177.789 176.300 -0.136 0.000 1.063 1116 M CA 1.664 56.902 55.300 -0.103 0.000 1.097 1116 M CB -0.397 32.168 32.600 -0.059 0.000 1.382 1116 M HN 0.127 nan 8.290 nan 0.000 0.413 1117 K N -0.304 119.931 120.400 -0.276 0.000 2.426 1117 K HA 0.020 4.341 4.320 0.001 0.000 0.193 1117 K C -0.015 176.535 176.600 -0.083 0.000 1.028 1117 K CA 0.091 56.222 56.287 -0.260 0.000 1.047 1117 K CB 0.058 32.180 32.500 -0.631 0.000 0.821 1117 K HN 0.181 nan 8.250 nan 0.000 0.513 1118 D N 0.494 120.809 120.400 -0.142 0.000 2.255 1118 D HA -0.028 4.612 4.640 0.001 0.000 0.249 1118 D C 1.138 177.131 176.300 -0.512 0.000 1.078 1118 D CA -0.209 53.656 54.000 -0.225 0.000 0.896 1118 D CB 1.046 41.747 40.800 -0.164 0.000 1.194 1118 D HN 0.108 nan 8.370 nan 0.000 0.429 1119 Q N 1.959 121.157 119.800 -1.004 0.000 2.234 1119 Q HA -0.226 4.114 4.340 0.001 0.000 0.206 1119 Q C 0.571 176.058 176.000 -0.855 0.000 0.980 1119 Q CA 1.515 56.263 55.803 -1.758 0.000 0.869 1119 Q CB -0.189 27.592 28.738 -1.594 0.000 0.912 1119 Q HN 0.725 nan 8.270 nan 0.000 0.436 1120 Y N -0.458 119.688 120.300 -0.257 0.000 2.609 1120 Y HA 0.394 4.945 4.550 0.001 0.000 0.281 1120 Y C 2.636 178.566 175.900 0.050 0.000 1.132 1120 Y CA -0.148 57.921 58.100 -0.051 0.000 1.264 1120 Y CB 0.099 38.475 38.460 -0.141 0.000 1.325 1120 Y HN 0.163 nan 8.280 nan 0.000 0.514 1121 A N 1.784 124.666 122.820 0.104 0.000 1.940 1121 A HA -0.293 4.028 4.320 0.001 0.000 0.219 1121 A C 1.794 179.402 177.584 0.041 0.000 1.176 1121 A CA 2.214 54.288 52.037 0.062 0.000 0.631 1121 A CB -1.195 17.806 19.000 0.002 0.000 0.814 1121 A HN 0.735 nan 8.150 nan 0.000 0.446 1122 N N -1.327 117.358 118.700 -0.025 0.000 2.137 1122 N HA -0.270 4.470 4.740 0.001 0.000 0.190 1122 N C 1.386 176.846 175.510 -0.084 0.000 1.017 1122 N CA 2.213 55.217 53.050 -0.077 0.000 0.859 1122 N CB -0.849 37.565 38.487 -0.122 0.000 1.002 1122 N HN 0.557 nan 8.380 nan 0.000 0.428 1123 Y N 0.032 120.332 120.300 -0.001 0.000 2.224 1123 Y HA -0.030 4.520 4.550 0.001 0.000 0.289 1123 Y C 2.421 178.329 175.900 0.015 0.000 1.146 1123 Y CA 0.916 59.023 58.100 0.012 0.000 1.182 1123 Y CB -0.223 38.243 38.460 0.009 0.000 0.983 1123 Y HN -0.003 nan 8.280 nan 0.000 0.524 1124 V N -1.113 118.900 119.914 0.165 0.000 2.358 1124 V HA -0.245 3.875 4.120 0.001 0.000 0.246 1124 V C 2.156 178.284 176.094 0.056 0.000 1.047 1124 V CA 1.485 63.841 62.300 0.093 0.000 1.035 1124 V CB -0.712 31.151 31.823 0.066 0.000 0.658 1124 V HN 0.236 nan 8.190 nan 0.000 0.452 1125 V N -0.297 119.639 119.914 0.037 0.000 2.295 1125 V HA -0.328 3.793 4.120 0.001 0.000 0.246 1125 V C 2.441 178.544 176.094 0.015 0.000 1.049 1125 V CA 2.059 64.368 62.300 0.016 0.000 1.024 1125 V CB -0.823 31.003 31.823 0.004 0.000 0.648 1125 V HN 0.577 nan 8.190 nan 0.000 0.447 1126 Q N -0.102 119.713 119.800 0.026 0.000 2.096 1126 Q HA -0.281 4.060 4.340 0.001 0.000 0.204 1126 Q C 2.336 178.371 176.000 0.058 0.000 0.982 1126 Q CA 1.821 57.649 55.803 0.042 0.000 0.850 1126 Q CB -0.250 28.514 28.738 0.043 0.000 0.901 1126 Q HN 0.467 nan 8.270 nan 0.000 0.422 1127 K N 0.866 121.305 120.400 0.065 0.000 2.097 1127 K HA -0.063 4.258 4.320 0.001 0.000 0.205 1127 K C 1.806 178.422 176.600 0.027 0.000 1.050 1127 K CA 1.295 57.616 56.287 0.057 0.000 0.938 1127 K CB -0.032 32.505 32.500 0.062 0.000 0.718 1127 K HN 0.133 nan 8.250 nan 0.000 0.442 1128 M N -0.304 119.306 119.600 0.016 0.000 2.132 1128 M HA -0.079 4.401 4.480 0.001 0.000 0.263 1128 M C 2.004 178.289 176.300 -0.025 0.000 1.065 1128 M CA 1.454 56.753 55.300 -0.003 0.000 1.122 1128 M CB -0.260 32.338 32.600 -0.002 0.000 1.365 1128 M HN 0.090 nan 8.290 nan 0.000 0.411 1129 I N 0.312 120.856 120.570 -0.043 0.000 2.208 1129 I HA -0.335 3.835 4.170 0.001 0.000 0.245 1129 I C 1.906 177.971 176.117 -0.087 0.000 1.097 1129 I CA 1.226 62.451 61.300 -0.125 0.000 1.363 1129 I CB -0.572 37.313 38.000 -0.191 0.000 1.051 1129 I HN 0.281 nan 8.210 nan 0.000 0.413 1130 D N 0.369 120.779 120.400 0.015 0.000 2.104 1130 D HA -0.148 4.492 4.640 0.001 0.000 0.194 1130 D C 2.122 178.448 176.300 0.043 0.000 0.994 1130 D CA 1.881 55.929 54.000 0.080 0.000 0.830 1130 D CB -0.208 40.648 40.800 0.093 0.000 0.959 1130 D HN 0.383 nan 8.370 nan 0.000 0.452 1131 V N -1.702 118.218 119.914 0.011 0.000 3.608 1131 V HA 0.420 4.540 4.120 0.001 0.000 0.269 1131 V C 0.950 177.039 176.094 -0.009 0.000 1.245 1131 V CA 0.080 62.378 62.300 -0.004 0.000 1.138 1131 V CB -0.607 31.201 31.823 -0.025 0.000 0.841 1131 V HN 0.053 nan 8.190 nan 0.000 0.451 1132 A N 1.569 124.379 122.820 -0.016 0.000 2.498 1132 A HA 0.269 4.590 4.320 0.001 0.000 0.239 1132 A C 0.602 178.179 177.584 -0.012 0.000 1.068 1132 A CA 0.073 52.099 52.037 -0.019 0.000 0.766 1132 A CB 0.093 19.072 19.000 -0.035 0.000 1.003 1132 A HN 0.590 nan 8.150 nan 0.000 0.497 1133 E N 2.558 122.753 120.200 -0.008 0.000 2.398 1133 E HA 0.067 4.417 4.350 0.001 0.000 0.263 1133 E C -1.694 174.904 176.600 -0.003 0.000 1.046 1133 E CA -1.479 54.920 56.400 -0.002 0.000 0.908 1133 E CB 0.583 30.282 29.700 -0.001 0.000 0.963 1133 E HN 0.338 nan 8.360 nan 0.000 0.431 1134 P HA -0.184 nan 4.420 nan 0.000 0.218 1134 P C 1.027 178.325 177.300 -0.003 0.000 1.152 1134 P CA 2.117 65.220 63.100 0.005 0.000 0.857 1134 P CB 0.059 31.768 31.700 0.015 0.000 0.787 1135 G N -0.554 108.243 108.800 -0.004 0.000 2.433 1135 G HA2 -0.298 3.662 3.960 0.001 0.000 0.216 1135 G HA3 -0.298 3.662 3.960 0.001 0.000 0.216 1135 G C 1.663 176.558 174.900 -0.009 0.000 1.186 1135 G CA 0.837 45.933 45.100 -0.007 0.000 0.779 1135 G HN 0.304 nan 8.290 nan 0.000 0.543 1136 Q N -0.136 119.659 119.800 -0.009 0.000 2.119 1136 Q HA -0.043 4.297 4.340 0.001 0.000 0.201 1136 Q C 2.550 178.538 176.000 -0.019 0.000 0.972 1136 Q CA 1.234 57.031 55.803 -0.010 0.000 0.847 1136 Q CB -0.138 28.594 28.738 -0.009 0.000 0.903 1136 Q HN 0.503 nan 8.270 nan 0.000 0.433 1137 R N 0.398 120.878 120.500 -0.033 0.000 2.105 1137 R HA -0.177 4.163 4.340 0.001 0.000 0.239 1137 R C 2.198 178.466 176.300 -0.053 0.000 1.135 1137 R CA 1.634 57.694 56.100 -0.067 0.000 0.967 1137 R CB -0.072 30.174 30.300 -0.090 0.000 0.861 1137 R HN 0.092 nan 8.270 nan 0.000 0.442 1138 K N 0.506 120.890 120.400 -0.026 0.000 2.026 1138 K HA -0.137 4.183 4.320 0.001 0.000 0.208 1138 K C 2.074 178.682 176.600 0.013 0.000 1.048 1138 K CA 1.711 57.991 56.287 -0.011 0.000 0.929 1138 K CB -0.115 32.376 32.500 -0.016 0.000 0.713 1138 K HN 0.240 nan 8.250 nan 0.000 0.439 1139 I N 0.685 121.264 120.570 0.015 0.000 2.226 1139 I HA -0.274 3.896 4.170 0.001 0.000 0.245 1139 I C 2.266 178.420 176.117 0.062 0.000 1.100 1139 I CA 0.924 62.253 61.300 0.049 0.000 1.374 1139 I CB -0.240 37.778 38.000 0.030 0.000 1.057 1139 I HN -0.025 nan 8.210 nan 0.000 0.413 1140 V N 0.522 120.448 119.914 0.020 0.000 2.343 1140 V HA -0.294 3.826 4.120 0.001 0.000 0.247 1140 V C 2.561 178.663 176.094 0.013 0.000 1.051 1140 V CA 1.553 63.858 62.300 0.008 0.000 1.036 1140 V CB -0.482 31.325 31.823 -0.027 0.000 0.654 1140 V HN 0.374 nan 8.190 nan 0.000 0.451 1141 M N -0.619 118.985 119.600 0.006 0.000 2.159 1141 M HA -0.167 4.313 4.480 0.001 0.000 0.263 1141 M C 2.209 178.550 176.300 0.068 0.000 1.063 1141 M CA 1.880 57.190 55.300 0.016 0.000 1.110 1141 M CB -1.496 31.107 32.600 0.006 0.000 1.374 1141 M HN 0.501 nan 8.290 nan 0.000 0.411 1142 H N 0.966 120.024 119.070 -0.021 0.000 2.423 1142 H HA -0.039 4.517 4.556 0.001 0.000 0.297 1142 H C 1.763 177.076 175.328 -0.026 0.000 1.075 1142 H CA 1.517 57.551 56.048 -0.023 0.000 1.342 1142 H CB 0.275 30.024 29.762 -0.021 0.000 1.395 1142 H HN 0.063 nan 8.280 nan 0.000 0.530 1143 K N 0.111 120.487 120.400 -0.040 0.000 2.155 1143 K HA -0.002 4.318 4.320 0.001 0.000 0.203 1143 K C 2.299 178.888 176.600 -0.019 0.000 1.052 1143 K CA 0.827 57.069 56.287 -0.076 0.000 0.948 1143 K CB -0.007 32.499 32.500 0.011 0.000 0.728 1143 K HN 0.428 nan 8.250 nan 0.000 0.448 1144 I N 0.382 120.961 120.570 0.014 0.000 2.406 1144 I HA -0.169 4.001 4.170 0.001 0.000 0.249 1144 I C 2.655 178.775 176.117 0.005 0.000 1.122 1144 I CA 0.489 61.828 61.300 0.064 0.000 1.431 1144 I CB -0.204 37.822 38.000 0.042 0.000 1.087 1144 I HN 0.130 nan 8.210 nan 0.000 0.424 1145 R N 1.944 122.411 120.500 -0.054 0.000 2.179 1145 R HA -0.217 4.123 4.340 0.001 0.000 0.238 1145 R C -0.534 175.672 176.300 -0.157 0.000 1.119 1145 R CA 2.798 58.852 56.100 -0.077 0.000 0.915 1145 R CB -1.566 28.706 30.300 -0.048 0.000 0.870 1145 R HN 0.203 nan 8.270 nan 0.000 0.432 1146 P HA -0.172 nan 4.420 nan 0.000 0.222 1146 P C 0.126 177.149 177.300 -0.461 0.000 1.142 1146 P CA 1.595 64.453 63.100 -0.403 0.000 0.788 1146 P CB -0.178 31.197 31.700 -0.541 0.000 0.767 1147 H N -1.372 117.568 119.070 -0.217 0.000 2.551 1147 H HA 0.233 4.789 4.556 0.001 0.000 0.271 1147 H C 2.177 177.468 175.328 -0.062 0.000 0.984 1147 H CA -0.169 55.749 56.048 -0.217 0.000 1.164 1147 H CB -0.125 29.435 29.762 -0.337 0.000 1.437 1147 H HN 0.175 nan 8.280 nan 0.000 0.550 1148 I N 0.946 121.533 120.570 0.027 0.000 2.185 1148 I HA -0.325 3.845 4.170 0.001 0.000 0.246 1148 I C 2.570 178.705 176.117 0.030 0.000 1.088 1148 I CA 1.498 62.813 61.300 0.025 0.000 1.347 1148 I CB -0.163 37.832 38.000 -0.009 0.000 1.041 1148 I HN 0.199 nan 8.210 nan 0.000 0.415 1149 A N 0.368 123.198 122.820 0.018 0.000 1.970 1149 A HA -0.157 4.163 4.320 0.001 0.000 0.216 1149 A C 2.382 179.998 177.584 0.053 0.000 1.170 1149 A CA 1.860 53.910 52.037 0.021 0.000 0.645 1149 A CB -0.894 18.107 19.000 0.003 0.000 0.816 1149 A HN 0.539 nan 8.150 nan 0.000 0.447 1150 T N -1.510 113.104 114.554 0.100 0.000 2.857 1150 T HA -0.012 4.338 4.350 0.001 0.000 0.266 1150 T C 1.823 176.678 174.700 0.258 0.000 1.048 1150 T CA 1.124 63.331 62.100 0.178 0.000 1.139 1150 T CB -0.641 68.380 68.868 0.256 0.000 0.874 1150 T HN 0.272 nan 8.240 nan 0.000 0.455 1151 L N 0.795 122.164 121.223 0.244 0.000 2.089 1151 L HA -0.146 4.195 4.340 0.001 0.000 0.213 1151 L C 3.149 180.112 176.870 0.154 0.000 1.079 1151 L CA 1.793 56.773 54.840 0.233 0.000 0.758 1151 L CB -0.671 41.473 42.059 0.143 0.000 0.891 1151 L HN 0.287 nan 8.230 nan 0.000 0.433 1152 R N 1.013 121.554 120.500 0.068 0.000 2.200 1152 R HA -0.174 4.166 4.340 0.001 0.000 0.234 1152 R C 1.821 178.096 176.300 -0.042 0.000 1.127 1152 R CA 1.270 57.367 56.100 -0.005 0.000 0.989 1152 R CB 0.034 30.322 30.300 -0.021 0.000 0.869 1152 R HN 0.396 nan 8.270 nan 0.000 0.459 1153 K N -0.924 119.445 120.400 -0.052 0.000 2.426 1153 K HA -0.003 4.317 4.320 0.001 0.000 0.193 1153 K C -0.504 175.865 176.600 -0.385 0.000 1.028 1153 K CA 0.284 56.436 56.287 -0.226 0.000 1.047 1153 K CB 0.357 32.673 32.500 -0.306 0.000 0.821 1153 K HN 0.103 nan 8.250 nan 0.000 0.513 1154 Y N 0.557 120.816 120.300 -0.068 0.000 2.335 1154 Y HA 0.087 4.638 4.550 0.001 0.000 0.338 1154 Y C 1.578 177.384 175.900 -0.157 0.000 0.977 1154 Y CA -0.587 57.459 58.100 -0.091 0.000 1.114 1154 Y CB 1.714 40.135 38.460 -0.065 0.000 1.182 1154 Y HN -0.090 nan 8.280 nan 0.000 0.463 1155 T N 1.604 116.090 114.554 -0.114 0.000 2.684 1155 T HA -0.304 4.047 4.350 0.001 0.000 0.267 1155 T C 1.048 175.466 174.700 -0.471 0.000 1.032 1155 T CA 2.306 64.181 62.100 -0.375 0.000 1.155 1155 T CB -0.339 68.168 68.868 -0.602 0.000 0.857 1155 T HN 0.640 nan 8.240 nan 0.000 0.457 1156 Y N 0.118 120.484 120.300 0.110 0.000 2.503 1156 Y HA 0.364 4.915 4.550 0.001 0.000 0.277 1156 Y C 2.642 178.582 175.900 0.067 0.000 1.102 1156 Y CA -0.195 57.978 58.100 0.121 0.000 1.261 1156 Y CB -0.804 37.653 38.460 -0.004 0.000 1.096 1156 Y HN 0.225 nan 8.280 nan 0.000 0.546 1157 G N 0.696 109.579 108.800 0.138 0.000 2.440 1157 G HA2 -0.263 3.697 3.960 0.001 0.000 0.218 1157 G HA3 -0.263 3.697 3.960 0.001 0.000 0.218 1157 G C 1.662 176.588 174.900 0.043 0.000 1.154 1157 G CA 0.981 46.131 45.100 0.084 0.000 0.767 1157 G HN 0.291 nan 8.290 nan 0.000 0.552 1158 K N -0.318 120.070 120.400 -0.020 0.000 2.034 1158 K HA -0.189 4.132 4.320 0.001 0.000 0.214 1158 K C 2.210 178.712 176.600 -0.164 0.000 1.051 1158 K CA 1.533 57.740 56.287 -0.133 0.000 0.931 1158 K CB -0.382 31.959 32.500 -0.266 0.000 0.715 1158 K HN 0.376 nan 8.250 nan 0.000 0.446 1159 H N 0.286 119.335 119.070 -0.035 0.000 2.457 1159 H HA -0.096 4.461 4.556 0.001 0.000 0.297 1159 H C 2.122 177.422 175.328 -0.047 0.000 1.092 1159 H CA 1.005 57.025 56.048 -0.047 0.000 1.309 1159 H CB 0.004 29.724 29.762 -0.071 0.000 1.382 1159 H HN 0.158 nan 8.280 nan 0.000 0.535 1160 I N 0.837 121.443 120.570 0.061 0.000 2.252 1160 I HA -0.211 3.959 4.170 0.001 0.000 0.245 1160 I C 2.649 178.773 176.117 0.012 0.000 1.102 1160 I CA 0.687 62.006 61.300 0.031 0.000 1.385 1160 I CB -0.961 37.056 38.000 0.028 0.000 1.064 1160 I HN 0.199 nan 8.210 nan 0.000 0.414 1161 L N 0.793 122.007 121.223 -0.016 0.000 2.013 1161 L HA -0.251 4.089 4.340 0.001 0.000 0.212 1161 L C 2.866 179.696 176.870 -0.067 0.000 1.073 1161 L CA 1.642 56.449 54.840 -0.056 0.000 0.753 1161 L CB -0.823 41.192 42.059 -0.074 0.000 0.890 1161 L HN 0.205 nan 8.230 nan 0.000 0.432 1162 A N 0.253 123.047 122.820 -0.045 0.000 1.892 1162 A HA -0.316 4.004 4.320 0.001 0.000 0.218 1162 A C 2.306 179.898 177.584 0.013 0.000 1.188 1162 A CA 2.404 54.428 52.037 -0.021 0.000 0.631 1162 A CB -0.520 18.485 19.000 0.008 0.000 0.822 1162 A HN 0.281 nan 8.150 nan 0.000 0.447 1163 K N -0.065 120.364 120.400 0.048 0.000 2.097 1163 K HA 0.021 4.342 4.320 0.001 0.000 0.206 1163 K C 1.676 178.384 176.600 0.180 0.000 1.049 1163 K CA 1.234 57.589 56.287 0.113 0.000 0.933 1163 K CB -0.510 32.063 32.500 0.121 0.000 0.717 1163 K HN 0.500 nan 8.250 nan 0.000 0.442 1164 L N 0.421 121.700 121.223 0.094 0.000 2.275 1164 L HA -0.141 4.199 4.340 0.001 0.000 0.215 1164 L C 2.048 178.929 176.870 0.019 0.000 1.119 1164 L CA 1.136 56.033 54.840 0.095 0.000 0.790 1164 L CB -0.409 41.627 42.059 -0.038 0.000 0.919 1164 L HN 0.297 nan 8.230 nan 0.000 0.443 1165 E N 0.564 120.709 120.200 -0.091 0.000 2.038 1165 E HA -0.295 4.055 4.350 0.001 0.000 0.195 1165 E C 2.092 178.828 176.600 0.226 0.000 1.000 1165 E CA 1.324 57.697 56.400 -0.045 0.000 0.803 1165 E CB -0.132 29.585 29.700 0.028 0.000 0.750 1165 E HN 0.321 nan 8.360 nan 0.000 0.448 1166 K N 0.206 120.626 120.400 0.034 0.000 2.293 1166 K HA -0.204 4.117 4.320 0.001 0.000 0.204 1166 K C 0.760 177.135 176.600 -0.375 0.000 1.045 1166 K CA 1.372 57.538 56.287 -0.201 0.000 0.933 1166 K CB 0.002 32.276 32.500 -0.378 0.000 0.736 1166 K HN 0.227 nan 8.250 nan 0.000 0.463 1167 Y N -1.149 119.239 120.300 0.147 0.000 2.481 1167 Y HA 0.144 4.694 4.550 0.001 0.000 0.247 1167 Y C 0.338 176.360 175.900 0.203 0.000 1.151 1167 Y CA -0.901 57.279 58.100 0.134 0.000 1.238 1167 Y CB 0.259 38.769 38.460 0.084 0.000 1.179 1167 Y HN 0.078 nan 8.280 nan 0.000 0.524 1168 Y N 0.000 120.362 120.300 0.103 0.000 2.660 1168 Y HA 0.000 4.550 4.550 0.001 0.000 0.201 1168 Y CA 0.000 58.142 58.100 0.071 0.000 1.940 1168 Y CB 0.000 38.498 38.460 0.064 0.000 1.050 1168 Y HN 0.000 nan 8.280 nan 0.000 0.758