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 1yvj_1_A DATA FIRST_RESID 814 DATA SEQUENCE PTIFEERHLK YISQLGKGNF GSVELCRYDP LGDNTGALVA VKQLQHSGPD DATA SEQUENCE QQRDFQREIQ ILKALHSDFI VKYRGVSYGP GRPELRLVME YLPSGCLRDF DATA SEQUENCE LQRHRARLDA SRLLLYSSQI CKGMEYLGSR RCVHRDLAAR NILVESEAHV DATA SEQUENCE KIADFGLAKL LPLDKDXXVV REPGQSPIFW YAPESLSDNI FSRQSDVWSF DATA SEQUENCE GVVLYELFTY CDKSCSPSAE FLRMMGCERD VPALCRLLEL LEEGQRLPAP DATA SEQUENCE PACPAEVHEL MKLCWAPSPQ DRPSFSALGP QLDMLWSGSR 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 814 P HA 0.000 nan 4.420 nan 0.000 0.216 814 P C 0.000 177.083 177.300 -0.361 0.000 1.155 814 P CA 0.000 62.887 63.100 -0.355 0.000 0.800 814 P CB 0.000 31.352 31.700 -0.580 0.000 0.726 815 T N -2.446 111.985 114.554 -0.206 0.000 3.039 815 T HA 0.305 4.656 4.350 0.001 0.000 0.250 815 T C 0.881 175.584 174.700 0.005 0.000 1.052 815 T CA 0.301 62.384 62.100 -0.029 0.000 1.125 815 T CB 0.197 69.110 68.868 0.074 0.000 0.908 815 T HN 0.364 nan 8.240 nan 0.000 0.473 816 I N 2.040 122.555 120.570 -0.092 0.000 2.405 816 I HA 0.385 4.555 4.170 0.001 0.000 0.280 816 I C -1.104 174.952 176.117 -0.102 0.000 1.027 816 I CA -1.107 60.209 61.300 0.026 0.000 1.161 816 I CB 1.002 39.089 38.000 0.145 0.000 1.300 816 I HN 0.049 nan 8.210 nan 0.000 0.463 817 F N 3.940 123.808 119.950 -0.137 0.000 2.445 817 F HA 0.176 4.705 4.527 0.003 0.000 0.359 817 F C 1.037 176.876 175.800 0.065 0.000 1.101 817 F CA -0.535 57.331 58.000 -0.223 0.000 1.177 817 F CB 0.442 39.148 39.000 -0.491 0.000 1.110 817 F HN 0.417 nan 8.300 nan 0.000 0.522 818 E N 2.619 123.072 120.200 0.421 0.000 2.415 818 E HA -0.076 4.275 4.350 0.001 0.000 0.260 818 E C 1.224 178.008 176.600 0.307 0.000 1.016 818 E CA 0.128 56.724 56.400 0.328 0.000 0.924 818 E CB 0.596 30.465 29.700 0.282 0.000 0.961 818 E HN 0.579 nan 8.360 nan 0.000 0.459 819 E N 4.939 125.244 120.200 0.175 0.000 2.086 819 E HA -0.300 4.051 4.350 0.001 0.000 0.200 819 E C 1.255 177.910 176.600 0.091 0.000 1.012 819 E CA 2.232 58.712 56.400 0.132 0.000 0.812 819 E CB 0.046 29.799 29.700 0.087 0.000 0.743 819 E HN 0.644 nan 8.360 nan 0.000 0.453 820 R N -0.962 119.523 120.500 -0.026 0.000 2.241 820 R HA -0.091 4.249 4.340 0.001 0.000 0.224 820 R C 1.455 177.696 176.300 -0.100 0.000 1.101 820 R CA 1.211 57.248 56.100 -0.107 0.000 0.995 820 R CB -0.337 29.834 30.300 -0.214 0.000 0.870 820 R HN 0.347 nan 8.270 nan 0.000 0.463 821 H N -0.030 119.096 119.070 0.094 0.000 2.529 821 H HA 0.198 4.754 4.556 0.000 0.000 0.277 821 H C 0.122 175.503 175.328 0.088 0.000 1.004 821 H CA 0.061 56.081 56.048 -0.047 0.000 1.167 821 H CB 0.213 29.730 29.762 -0.409 0.000 1.445 821 H HN 0.042 nan 8.280 nan 0.000 0.554 822 L N 2.289 123.699 121.223 0.311 0.000 2.302 822 L HA 0.152 4.493 4.340 0.001 0.000 0.285 822 L C 0.672 177.643 176.870 0.167 0.000 1.090 822 L CA -0.328 54.681 54.840 0.283 0.000 0.866 822 L CB 0.581 42.774 42.059 0.224 0.000 1.244 822 L HN -0.070 nan 8.230 nan 0.000 0.435 823 K N 4.084 124.563 120.400 0.133 0.000 2.292 823 K HA 0.051 4.371 4.320 0.001 0.000 0.290 823 K C -0.377 176.269 176.600 0.077 0.000 1.083 823 K CA -0.570 55.774 56.287 0.095 0.000 0.918 823 K CB 0.362 32.894 32.500 0.053 0.000 1.089 823 K HN 0.304 nan 8.250 nan 0.000 0.473 824 Y N 6.395 126.699 120.300 0.007 0.000 2.721 824 Y HA -0.102 4.447 4.550 -0.002 0.000 0.329 824 Y C 0.408 176.294 175.900 -0.022 0.000 1.211 824 Y CA 0.298 58.390 58.100 -0.013 0.000 1.512 824 Y CB 0.398 38.853 38.460 -0.008 0.000 1.249 824 Y HN 0.606 nan 8.280 nan 0.000 0.549 825 I N 3.388 123.497 120.570 -0.768 0.000 3.132 825 I HA 0.090 4.260 4.170 0.001 0.000 0.255 825 I C 0.718 176.306 176.117 -0.881 0.000 1.118 825 I CA 1.251 62.164 61.300 -0.646 0.000 1.463 825 I CB -0.844 36.938 38.000 -0.364 0.000 1.356 825 I HN 0.655 nan 8.210 nan 0.000 0.463 826 S N -0.312 114.877 115.700 -0.852 0.000 2.655 826 S HA 0.399 4.869 4.470 0.001 0.000 0.266 826 S C -1.072 173.486 174.600 -0.070 0.000 1.149 826 S CA -0.775 57.159 58.200 -0.442 0.000 0.818 826 S CB 2.188 65.267 63.200 -0.201 0.000 1.130 826 S HN 0.028 nan 8.310 nan 0.000 0.476 827 Q N 0.666 120.518 119.800 0.086 0.000 2.294 827 Q HA 0.573 4.913 4.340 0.001 0.000 0.257 827 Q C 0.474 176.505 176.000 0.051 0.000 0.955 827 Q CA -0.221 55.651 55.803 0.114 0.000 0.936 827 Q CB 1.050 29.859 28.738 0.117 0.000 1.188 827 Q HN 0.690 nan 8.270 nan 0.000 0.420 828 L N 0.956 122.207 121.223 0.046 0.000 2.202 828 L HA 0.403 4.744 4.340 0.001 0.000 0.205 828 L C 0.929 177.828 176.870 0.048 0.000 1.083 828 L CA 0.579 55.449 54.840 0.048 0.000 0.790 828 L CB 0.192 42.283 42.059 0.055 0.000 0.942 828 L HN 0.711 nan 8.230 nan 0.000 0.452 829 G N -0.451 108.373 108.800 0.040 0.000 2.547 829 G HA2 0.345 4.305 3.960 0.001 0.000 0.291 829 G HA3 0.345 4.305 3.960 0.001 0.000 0.291 829 G C -1.938 172.969 174.900 0.012 0.000 1.471 829 G CA -0.526 44.589 45.100 0.024 0.000 0.798 829 G HN -0.203 nan 8.290 nan 0.000 0.504 830 K N -0.490 119.907 120.400 -0.005 0.000 2.375 830 K HA 0.735 5.055 4.320 0.001 0.000 0.249 830 K C 0.079 176.645 176.600 -0.057 0.000 0.942 830 K CA -0.535 55.739 56.287 -0.021 0.000 0.806 830 K CB 2.304 34.796 32.500 -0.014 0.000 1.227 830 K HN 0.835 nan 8.250 nan 0.000 0.430 831 G N 0.862 109.609 108.800 -0.089 0.000 2.788 831 G HA2 0.127 4.088 3.960 0.001 0.000 0.293 831 G HA3 0.127 4.088 3.960 0.001 0.000 0.293 831 G C 0.181 174.956 174.900 -0.207 0.000 1.305 831 G CA -0.564 44.428 45.100 -0.181 0.000 1.005 831 G HN 0.667 nan 8.290 nan 0.000 0.496 832 N N -0.894 117.606 118.700 -0.333 0.000 2.184 832 N HA -0.074 4.667 4.740 0.001 0.000 0.190 832 N C 0.180 175.638 175.510 -0.087 0.000 1.011 832 N CA 1.404 54.312 53.050 -0.237 0.000 0.867 832 N CB -0.468 37.840 38.487 -0.299 0.000 0.993 832 N HN 0.481 nan 8.380 nan 0.000 0.433 833 F N -3.456 116.482 119.950 -0.020 0.000 2.631 833 F HA 0.663 5.202 4.527 0.020 0.000 0.308 833 F C 0.482 176.249 175.800 -0.056 0.000 1.097 833 F CA -1.029 56.957 58.000 -0.024 0.000 0.952 833 F CB 0.784 39.783 39.000 -0.002 0.000 1.307 833 F HN 0.090 nan 8.300 nan 0.000 0.450 834 G N 1.253 110.178 108.800 0.208 0.000 2.888 834 G HA2 0.440 4.400 3.960 0.001 0.000 0.441 834 G HA3 0.440 4.400 3.960 0.001 0.000 0.441 834 G C -0.589 174.315 174.900 0.007 0.000 1.461 834 G CA -0.086 45.051 45.100 0.062 0.000 0.897 834 G HN 2.553 nan 8.290 nan 0.000 0.547 835 S N -2.476 113.216 115.700 -0.013 0.000 2.672 835 S HA 0.791 5.262 4.470 0.001 0.000 0.271 835 S C -1.127 173.483 174.600 0.016 0.000 1.171 835 S CA -0.068 58.131 58.200 -0.002 0.000 0.817 835 S CB 2.091 65.292 63.200 0.002 0.000 1.150 835 S HN 1.989 nan 8.310 nan 0.000 0.478 836 V N 1.872 121.803 119.914 0.029 0.000 2.577 836 V HA 0.666 4.786 4.120 0.001 0.000 0.303 836 V C -0.729 175.393 176.094 0.048 0.000 1.042 836 V CA -0.499 61.827 62.300 0.043 0.000 0.872 836 V CB 1.232 33.085 31.823 0.049 0.000 0.998 836 V HN 1.028 nan 8.190 nan 0.000 0.423 837 E N 4.681 124.910 120.200 0.049 0.000 2.369 837 E HA 0.631 4.981 4.350 0.001 0.000 0.270 837 E C -1.253 175.332 176.600 -0.025 0.000 0.909 837 E CA -0.989 55.449 56.400 0.063 0.000 0.775 837 E CB 3.020 32.843 29.700 0.204 0.000 1.270 837 E HN 0.479 nan 8.360 nan 0.000 0.445 838 L N 2.008 123.162 121.223 -0.116 0.000 2.281 838 L HA 0.368 4.708 4.340 0.001 0.000 0.285 838 L C -1.034 175.690 176.870 -0.244 0.000 1.074 838 L CA -0.270 54.400 54.840 -0.283 0.000 0.817 838 L CB 0.344 42.148 42.059 -0.424 0.000 1.168 838 L HN 0.762 nan 8.230 nan 0.000 0.434 839 C N 4.046 123.227 119.300 -0.199 0.000 3.108 839 C HA 0.628 5.088 4.460 0.001 0.000 0.321 839 C C -0.111 174.818 174.990 -0.101 0.000 1.357 839 C CA -0.901 58.049 59.018 -0.113 0.000 1.562 839 C CB 2.272 30.005 27.740 -0.012 0.000 2.003 839 C HN 0.794 nan 8.230 nan 0.000 0.460 840 R N 0.450 120.938 120.500 -0.021 0.000 2.513 840 R HA 0.349 4.689 4.340 0.001 0.000 0.301 840 R C -1.819 174.570 176.300 0.148 0.000 0.968 840 R CA -0.407 55.712 56.100 0.032 0.000 0.872 840 R CB 0.888 31.188 30.300 0.001 0.000 1.177 840 R HN 0.812 nan 8.270 nan 0.000 0.444 841 Y N 3.559 123.889 120.300 0.049 0.000 2.640 841 Y HA 0.105 4.656 4.550 0.000 0.000 0.355 841 Y C -0.790 175.159 175.900 0.081 0.000 1.088 841 Y CA -0.029 58.147 58.100 0.126 0.000 1.443 841 Y CB 0.399 39.011 38.460 0.253 0.000 1.224 841 Y HN 0.558 nan 8.280 nan 0.000 0.516 842 D N 7.986 128.318 120.400 -0.113 0.000 2.456 842 D HA 0.299 4.939 4.640 0.001 0.000 0.287 842 D C -1.997 174.119 176.300 -0.306 0.000 1.186 842 D CA -1.932 51.964 54.000 -0.173 0.000 0.916 842 D CB 1.205 41.973 40.800 -0.054 0.000 1.029 842 D HN 0.272 nan 8.370 nan 0.000 0.498 843 P HA -0.141 nan 4.420 nan 0.000 0.216 843 P C 1.454 178.474 177.300 -0.465 0.000 1.150 843 P CA 0.766 63.220 63.100 -1.078 0.000 0.837 843 P CB 0.146 31.170 31.700 -1.126 0.000 0.786 844 L N -3.892 117.161 121.223 -0.283 0.000 2.313 844 L HA 0.276 4.616 4.340 0.001 0.000 0.214 844 L C 1.861 178.681 176.870 -0.082 0.000 1.119 844 L CA 1.657 56.410 54.840 -0.145 0.000 0.809 844 L CB -2.378 39.613 42.059 -0.114 0.000 0.933 844 L HN 0.219 nan 8.230 nan 0.000 0.449 845 G N 1.004 109.760 108.800 -0.073 0.000 2.196 845 G HA2 -0.424 3.537 3.960 0.001 0.000 0.268 845 G HA3 -0.424 3.537 3.960 0.001 0.000 0.268 845 G C 0.948 175.831 174.900 -0.029 0.000 0.975 845 G CA 0.944 46.025 45.100 -0.032 0.000 0.648 845 G HN 0.557 nan 8.290 nan 0.000 0.538 846 D N 0.740 121.115 120.400 -0.041 0.000 2.310 846 D HA -0.090 4.550 4.640 0.001 0.000 0.212 846 D C 1.400 177.686 176.300 -0.022 0.000 0.965 846 D CA 1.339 55.321 54.000 -0.031 0.000 0.879 846 D CB -0.313 40.463 40.800 -0.040 0.000 0.921 846 D HN 0.456 nan 8.370 nan 0.000 0.510 847 N N -1.205 117.481 118.700 -0.024 0.000 2.948 847 N HA -0.163 4.577 4.740 0.001 0.000 0.239 847 N C 0.479 175.985 175.510 -0.005 0.000 0.954 847 N CA 1.493 54.535 53.050 -0.013 0.000 0.941 847 N CB -1.807 36.674 38.487 -0.009 0.000 1.101 847 N HN 0.370 nan 8.380 nan 0.000 0.579 848 T N -3.363 111.185 114.554 -0.010 0.000 3.086 848 T HA 0.410 4.761 4.350 0.001 0.000 0.250 848 T C 1.013 175.722 174.700 0.014 0.000 1.074 848 T CA 0.145 62.246 62.100 0.001 0.000 0.988 848 T CB 0.263 69.128 68.868 -0.006 0.000 0.988 848 T HN 0.411 nan 8.240 nan 0.000 0.530 849 G N 0.938 109.747 108.800 0.015 0.000 2.503 849 G HA2 0.553 4.514 3.960 0.001 0.000 0.257 849 G HA3 0.553 4.514 3.960 0.001 0.000 0.257 849 G C 0.078 175.031 174.900 0.089 0.000 1.214 849 G CA -0.465 44.670 45.100 0.057 0.000 0.839 849 G HN 0.616 nan 8.290 nan 0.000 0.559 850 A N 0.898 123.801 122.820 0.137 0.000 2.371 850 A HA 0.544 4.865 4.320 0.001 0.000 0.257 850 A C 0.367 178.011 177.584 0.101 0.000 1.089 850 A CA -0.381 51.726 52.037 0.117 0.000 0.794 850 A CB 0.313 19.388 19.000 0.126 0.000 1.029 850 A HN 0.641 nan 8.150 nan 0.000 0.488 851 L N 2.106 123.370 121.223 0.068 0.000 2.349 851 L HA 0.496 4.837 4.340 0.001 0.000 0.275 851 L C 0.136 177.000 176.870 -0.011 0.000 1.115 851 L CA -0.331 54.508 54.840 -0.002 0.000 0.820 851 L CB 1.091 43.144 42.059 -0.009 0.000 1.135 851 L HN 0.678 nan 8.230 nan 0.000 0.445 852 V N 0.241 120.086 119.914 -0.116 0.000 3.160 852 V HA 0.898 5.019 4.120 0.001 0.000 0.310 852 V C -0.498 175.497 176.094 -0.165 0.000 1.181 852 V CA -0.973 61.256 62.300 -0.119 0.000 1.047 852 V CB 1.848 33.531 31.823 -0.233 0.000 1.068 852 V HN 0.743 nan 8.190 nan 0.000 0.441 853 A N 1.321 124.089 122.820 -0.086 0.000 2.258 853 A HA 0.811 5.131 4.320 0.001 0.000 0.316 853 A C -0.615 176.924 177.584 -0.075 0.000 1.279 853 A CA -0.553 51.454 52.037 -0.050 0.000 0.876 853 A CB 0.787 19.826 19.000 0.065 0.000 1.170 853 A HN 1.357 nan 8.150 nan 0.000 0.520 854 V N 3.681 123.559 119.914 -0.060 0.000 2.350 854 V HA 0.363 4.484 4.120 0.001 0.000 0.285 854 V C 0.156 176.266 176.094 0.027 0.000 1.014 854 V CA -0.654 61.620 62.300 -0.043 0.000 0.831 854 V CB 1.300 33.085 31.823 -0.063 0.000 1.000 854 V HN 0.939 nan 8.190 nan 0.000 0.433 855 K N 5.138 125.585 120.400 0.078 0.000 2.130 855 K HA 0.692 5.012 4.320 0.001 0.000 0.268 855 K C -0.640 176.052 176.600 0.154 0.000 0.983 855 K CA -0.520 55.838 56.287 0.119 0.000 0.893 855 K CB 1.348 33.957 32.500 0.181 0.000 1.066 855 K HN 0.780 nan 8.250 nan 0.000 0.450 856 Q N 3.564 123.374 119.800 0.016 0.000 2.435 856 Q HA 0.269 4.610 4.340 0.001 0.000 0.282 856 Q C -1.802 174.052 176.000 -0.243 0.000 1.020 856 Q CA -0.923 54.824 55.803 -0.093 0.000 0.820 856 Q CB 1.166 29.900 28.738 -0.006 0.000 1.436 856 Q HN 0.438 nan 8.270 nan 0.000 0.395 857 L N 2.064 123.043 121.223 -0.406 0.000 2.350 857 L HA 0.301 4.641 4.340 0.001 0.000 0.275 857 L C 0.986 177.782 176.870 -0.123 0.000 1.099 857 L CA 0.285 54.939 54.840 -0.310 0.000 0.808 857 L CB 0.972 42.752 42.059 -0.464 0.000 1.149 857 L HN 0.748 nan 8.230 nan 0.000 0.442 858 Q N 1.189 120.967 119.800 -0.037 0.000 2.320 858 Q HA 0.109 4.449 4.340 0.001 0.000 0.201 858 Q C -0.448 175.595 176.000 0.071 0.000 0.910 858 Q CA 0.356 56.165 55.803 0.011 0.000 0.946 858 Q CB 0.011 28.763 28.738 0.023 0.000 1.062 858 Q HN 0.565 nan 8.270 nan 0.000 0.503 859 H N -1.154 117.857 119.070 -0.098 0.000 2.852 859 H HA 0.392 4.946 4.556 -0.002 0.000 0.274 859 H C -1.218 174.041 175.328 -0.115 0.000 1.321 859 H CA -0.437 55.551 56.048 -0.100 0.000 1.582 859 H CB 0.586 30.286 29.762 -0.103 0.000 1.699 859 H HN -0.071 nan 8.280 nan 0.000 0.546 860 S N 2.699 118.434 115.700 0.058 0.000 2.448 860 S HA 0.542 5.012 4.470 0.001 0.000 0.279 860 S C 0.451 175.075 174.600 0.040 0.000 1.195 860 S CA -0.007 58.194 58.200 0.000 0.000 1.051 860 S CB 1.302 64.512 63.200 0.016 0.000 0.948 860 S HN 0.793 nan 8.310 nan 0.000 0.493 861 G N 2.726 111.514 108.800 -0.020 0.000 2.673 861 G HA2 0.535 4.496 3.960 0.001 0.000 0.292 861 G HA3 0.535 4.496 3.960 0.001 0.000 0.292 861 G C -3.521 171.360 174.900 -0.031 0.000 1.450 861 G CA -1.308 43.794 45.100 0.003 0.000 0.837 861 G HN 0.272 nan 8.290 nan 0.000 0.505 862 P HA 0.288 nan 4.420 nan 0.000 0.235 862 P C -0.610 176.672 177.300 -0.031 0.000 1.765 862 P CA 0.564 63.656 63.100 -0.014 0.000 1.034 862 P CB 0.720 32.418 31.700 -0.003 0.000 1.984 863 D N -0.362 120.001 120.400 -0.061 0.000 1.825 863 D HA -0.094 4.546 4.640 0.001 0.000 0.468 863 D C 1.402 177.629 176.300 -0.122 0.000 1.150 863 D CA 0.167 54.119 54.000 -0.080 0.000 1.197 863 D CB -0.104 40.648 40.800 -0.081 0.000 2.044 863 D HN -0.003 nan 8.370 nan 0.000 0.452 864 Q N 0.544 120.218 119.800 -0.211 0.000 2.424 864 Q HA 0.046 4.387 4.340 0.001 0.000 0.204 864 Q C 1.488 177.404 176.000 -0.141 0.000 0.933 864 Q CA 0.820 56.458 55.803 -0.276 0.000 0.929 864 Q CB 0.211 28.610 28.738 -0.565 0.000 1.037 864 Q HN 0.262 nan 8.270 nan 0.000 0.511 865 Q N 1.188 120.943 119.800 -0.077 0.000 2.137 865 Q HA -0.008 4.332 4.340 0.001 0.000 0.198 865 Q C 2.489 178.528 176.000 0.066 0.000 0.960 865 Q CA 2.478 58.307 55.803 0.044 0.000 0.847 865 Q CB -0.270 28.491 28.738 0.039 0.000 0.915 865 Q HN 0.534 nan 8.270 nan 0.000 0.448 866 R N 0.649 121.156 120.500 0.011 0.000 2.120 866 R HA -0.145 4.195 4.340 0.001 0.000 0.234 866 R C 1.700 178.008 176.300 0.013 0.000 1.123 866 R CA 1.904 58.008 56.100 0.007 0.000 0.975 866 R CB -1.410 28.883 30.300 -0.013 0.000 0.866 866 R HN 0.369 nan 8.270 nan 0.000 0.446 867 D N -0.665 119.743 120.400 0.013 0.000 2.123 867 D HA -0.049 4.591 4.640 0.001 0.000 0.200 867 D C 1.617 177.983 176.300 0.110 0.000 0.976 867 D CA 0.996 55.014 54.000 0.030 0.000 0.831 867 D CB -0.454 40.341 40.800 -0.008 0.000 0.974 867 D HN 0.352 nan 8.370 nan 0.000 0.469 868 F N 1.505 121.424 119.950 -0.051 0.000 2.171 868 F HA -0.131 4.397 4.527 0.003 0.000 0.300 868 F C 2.368 178.157 175.800 -0.018 0.000 1.090 868 F CA 1.201 59.186 58.000 -0.026 0.000 1.293 868 F CB -0.413 38.567 39.000 -0.033 0.000 1.013 868 F HN -0.110 nan 8.300 nan 0.000 0.486 869 Q N -0.223 119.566 119.800 -0.018 0.000 2.061 869 Q HA -0.247 4.094 4.340 0.001 0.000 0.204 869 Q C 2.356 178.286 176.000 -0.117 0.000 0.984 869 Q CA 2.159 57.899 55.803 -0.104 0.000 0.846 869 Q CB -0.223 28.502 28.738 -0.022 0.000 0.902 869 Q HN 0.188 nan 8.270 nan 0.000 0.421 870 R N 0.744 121.206 120.500 -0.063 0.000 2.092 870 R HA -0.145 4.196 4.340 0.001 0.000 0.231 870 R C 1.833 178.081 176.300 -0.087 0.000 1.119 870 R CA 2.003 58.064 56.100 -0.066 0.000 0.970 870 R CB -0.418 29.862 30.300 -0.034 0.000 0.864 870 R HN 0.392 nan 8.270 nan 0.000 0.440 871 E N -0.043 120.120 120.200 -0.062 0.000 2.118 871 E HA -0.192 4.159 4.350 0.001 0.000 0.195 871 E C 1.825 178.340 176.600 -0.142 0.000 0.992 871 E CA 1.695 58.068 56.400 -0.045 0.000 0.804 871 E CB -0.140 29.604 29.700 0.074 0.000 0.741 871 E HN 0.495 nan 8.360 nan 0.000 0.458 872 I N 0.956 121.379 120.570 -0.244 0.000 2.252 872 I HA -0.261 3.909 4.170 0.001 0.000 0.245 872 I C 2.525 178.461 176.117 -0.301 0.000 1.102 872 I CA 0.758 61.895 61.300 -0.271 0.000 1.385 872 I CB -0.241 37.552 38.000 -0.345 0.000 1.064 872 I HN 0.135 nan 8.210 nan 0.000 0.414 873 Q N 0.559 120.212 119.800 -0.245 0.000 2.119 873 Q HA -0.098 4.242 4.340 0.001 0.000 0.201 873 Q C 2.320 178.157 176.000 -0.272 0.000 0.972 873 Q CA 1.498 57.155 55.803 -0.243 0.000 0.847 873 Q CB -0.267 28.377 28.738 -0.155 0.000 0.903 873 Q HN 0.564 nan 8.270 nan 0.000 0.433 874 I N 0.342 120.769 120.570 -0.237 0.000 2.113 874 I HA -0.283 3.887 4.170 0.001 0.000 0.238 874 I C 2.245 178.147 176.117 -0.358 0.000 1.070 874 I CA 0.787 61.936 61.300 -0.251 0.000 1.332 874 I CB -0.367 37.519 38.000 -0.191 0.000 1.044 874 I HN 0.138 nan 8.210 nan 0.000 0.402 875 L N 1.164 122.152 121.223 -0.391 0.000 2.127 875 L HA -0.234 4.106 4.340 0.001 0.000 0.211 875 L C 2.423 179.028 176.870 -0.440 0.000 1.089 875 L CA 1.840 56.423 54.840 -0.428 0.000 0.757 875 L CB -0.699 41.207 42.059 -0.255 0.000 0.899 875 L HN 0.133 nan 8.230 nan 0.000 0.434 876 K N -0.993 119.009 120.400 -0.663 0.000 2.097 876 K HA -0.104 4.216 4.320 0.001 0.000 0.205 876 K C 1.861 178.181 176.600 -0.467 0.000 1.050 876 K CA 1.158 56.906 56.287 -0.899 0.000 0.938 876 K CB -0.110 31.761 32.500 -1.048 0.000 0.718 876 K HN 0.408 nan 8.250 nan 0.000 0.442 877 A N 0.949 123.521 122.820 -0.414 0.000 2.119 877 A HA 0.125 4.445 4.320 0.001 0.000 0.216 877 A C 0.754 177.940 177.584 -0.663 0.000 1.152 877 A CA 0.136 51.939 52.037 -0.391 0.000 0.708 877 A CB -0.166 18.689 19.000 -0.242 0.000 0.805 877 A HN 0.209 nan 8.150 nan 0.000 0.460 878 L N 1.200 122.114 121.223 -0.516 0.000 2.361 878 L HA 0.226 4.567 4.340 0.001 0.000 0.278 878 L C -0.626 175.992 176.870 -0.420 0.000 1.113 878 L CA -0.131 54.520 54.840 -0.314 0.000 0.849 878 L CB 0.183 42.127 42.059 -0.191 0.000 1.155 878 L HN 0.378 nan 8.230 nan 0.000 0.452 879 H N 1.614 120.729 119.070 0.076 0.000 2.530 879 H HA 0.381 4.938 4.556 0.001 0.000 0.246 879 H C -0.511 174.537 175.328 -0.467 0.000 1.346 879 H CA -0.241 55.726 56.048 -0.136 0.000 1.424 879 H CB 1.222 30.947 29.762 -0.060 0.000 1.445 879 H HN 0.509 nan 8.280 nan 0.000 0.511 880 S N 0.840 116.336 115.700 -0.341 0.000 2.540 880 S HA 0.120 4.591 4.470 0.001 0.000 0.275 880 S C 0.243 174.653 174.600 -0.318 0.000 1.123 880 S CA -0.825 57.107 58.200 -0.447 0.000 0.907 880 S CB 1.216 64.116 63.200 -0.499 0.000 1.081 880 S HN 0.472 nan 8.310 nan 0.000 0.476 881 D N 2.237 122.323 120.400 -0.523 0.000 2.310 881 D HA 0.048 4.689 4.640 0.001 0.000 0.212 881 D C 0.391 176.347 176.300 -0.572 0.000 0.965 881 D CA 1.186 54.816 54.000 -0.617 0.000 0.879 881 D CB -0.097 40.118 40.800 -0.975 0.000 0.921 881 D HN 0.618 nan 8.370 nan 0.000 0.510 882 F N 0.092 120.091 119.950 0.081 0.000 2.750 882 F HA 0.363 4.889 4.527 -0.001 0.000 0.297 882 F C 0.418 176.287 175.800 0.116 0.000 1.138 882 F CA -0.289 57.780 58.000 0.115 0.000 1.346 882 F CB 0.344 39.377 39.000 0.055 0.000 0.965 882 F HN -0.278 nan 8.300 nan 0.000 0.514 883 I N 0.499 121.161 120.570 0.154 0.000 2.512 883 I HA 0.148 4.318 4.170 0.001 0.000 0.287 883 I C -0.396 175.801 176.117 0.132 0.000 1.069 883 I CA -1.146 60.279 61.300 0.209 0.000 1.056 883 I CB 2.330 40.444 38.000 0.191 0.000 1.229 883 I HN -0.312 nan 8.210 nan 0.000 0.429 884 V N 7.081 127.110 119.914 0.193 0.000 2.644 884 V HA -0.127 3.994 4.120 0.001 0.000 0.303 884 V C 0.660 176.805 176.094 0.085 0.000 1.058 884 V CA 0.717 63.092 62.300 0.125 0.000 1.228 884 V CB 0.353 32.282 31.823 0.177 0.000 0.861 884 V HN 0.748 nan 8.190 nan 0.000 0.484 885 K N 6.442 126.867 120.400 0.042 0.000 2.379 885 K HA 0.092 4.412 4.320 0.001 0.000 0.284 885 K C -0.460 176.186 176.600 0.076 0.000 1.044 885 K CA -0.389 55.927 56.287 0.049 0.000 0.974 885 K CB 0.345 32.855 32.500 0.017 0.000 0.962 885 K HN 0.781 nan 8.250 nan 0.000 0.474 886 Y N 4.678 124.960 120.300 -0.028 0.000 2.359 886 Y HA 0.085 4.635 4.550 -0.001 0.000 0.330 886 Y C 0.565 176.465 175.900 -0.000 0.000 1.143 886 Y CA -0.012 58.068 58.100 -0.033 0.000 1.318 886 Y CB 0.896 39.320 38.460 -0.060 0.000 1.234 886 Y HN 0.632 nan 8.280 nan 0.000 0.522 887 R N 3.578 123.677 120.500 -0.668 0.000 2.164 887 R HA 0.443 4.784 4.340 0.001 0.000 0.198 887 R C 0.338 176.357 176.300 -0.469 0.000 1.028 887 R CA 0.638 56.489 56.100 -0.415 0.000 1.083 887 R CB 0.281 30.431 30.300 -0.251 0.000 1.026 887 R HN 0.961 nan 8.270 nan 0.000 0.514 888 G N -0.346 107.906 108.800 -0.913 0.000 2.323 888 G HA2 0.313 4.273 3.960 0.001 0.000 0.291 888 G HA3 0.313 4.273 3.960 0.001 0.000 0.291 888 G C -1.488 173.259 174.900 -0.255 0.000 1.278 888 G CA -0.156 44.725 45.100 -0.365 0.000 0.860 888 G HN 0.103 nan 8.290 nan 0.000 0.504 889 V N -2.988 116.924 119.914 -0.004 0.000 3.074 889 V HA 0.949 5.069 4.120 0.001 0.000 0.314 889 V C -0.123 175.892 176.094 -0.133 0.000 1.117 889 V CA -0.338 61.876 62.300 -0.143 0.000 1.014 889 V CB 1.752 33.398 31.823 -0.295 0.000 1.057 889 V HN 1.732 nan 8.190 nan 0.000 0.438 890 S N 0.959 116.510 115.700 -0.248 0.000 2.496 890 S HA 0.496 4.966 4.470 0.001 0.000 0.221 890 S C -1.116 173.389 174.600 -0.157 0.000 1.260 890 S CA -0.491 57.640 58.200 -0.114 0.000 1.181 890 S CB -0.013 63.190 63.200 0.005 0.000 1.136 890 S HN 0.678 nan 8.310 nan 0.000 0.467 891 Y N 3.320 123.664 120.300 0.074 0.000 2.559 891 Y HA 0.253 4.804 4.550 0.002 0.000 0.344 891 Y C 1.795 177.731 175.900 0.059 0.000 1.257 891 Y CA 0.322 58.459 58.100 0.062 0.000 1.839 891 Y CB -0.758 37.731 38.460 0.048 0.000 1.648 891 Y HN 0.726 nan 8.280 nan 0.000 0.445 892 G N 3.945 112.820 108.800 0.126 0.000 2.711 892 G HA2 -0.145 3.815 3.960 0.001 0.000 0.367 892 G HA3 -0.145 3.815 3.960 0.001 0.000 0.367 892 G C -1.437 173.516 174.900 0.088 0.000 1.276 892 G CA -0.982 44.176 45.100 0.097 0.000 1.193 892 G HN 0.526 nan 8.290 nan 0.000 0.704 893 P HA -0.032 nan 4.420 nan 0.000 0.155 893 P C 0.589 177.910 177.300 0.035 0.000 1.105 893 P CA 1.517 64.641 63.100 0.040 0.000 0.873 893 P CB -1.185 30.531 31.700 0.027 0.000 1.585 894 G N 0.456 109.282 108.800 0.043 0.000 3.402 894 G HA2 -0.106 3.854 3.960 0.001 0.000 0.686 894 G HA3 -0.106 3.854 3.960 0.001 0.000 0.686 894 G C -0.146 174.782 174.900 0.047 0.000 0.983 894 G CA -0.368 44.753 45.100 0.035 0.000 0.821 894 G HN 0.732 nan 8.290 nan 0.000 0.500 895 R N 2.922 123.456 120.500 0.057 0.000 2.523 895 R HA 0.962 5.303 4.340 0.001 0.000 0.216 895 R C -1.723 174.612 176.300 0.059 0.000 1.279 895 R CA -0.529 55.615 56.100 0.073 0.000 1.015 895 R CB 0.288 30.656 30.300 0.114 0.000 1.756 895 R HN 0.467 nan 8.270 nan 0.000 0.528 896 P HA -0.002 nan 4.420 nan 0.000 0.535 896 P C -1.644 175.711 177.300 0.091 0.000 0.600 896 P CA 1.307 64.457 63.100 0.084 0.000 2.509 896 P CB -0.909 30.826 31.700 0.058 0.000 1.141 897 E N 0.694 120.948 120.200 0.091 0.000 2.122 897 E HA 0.369 4.719 4.350 0.001 0.000 0.288 897 E C 0.218 176.882 176.600 0.106 0.000 1.260 897 E CA -0.162 56.287 56.400 0.081 0.000 1.344 897 E CB -0.218 29.518 29.700 0.059 0.000 1.337 897 E HN 0.377 nan 8.360 nan 0.000 0.484 898 L N 1.313 122.623 121.223 0.144 0.000 2.426 898 L HA 0.413 4.753 4.340 0.001 0.000 0.271 898 L C 0.388 177.389 176.870 0.218 0.000 1.169 898 L CA -0.077 54.845 54.840 0.137 0.000 0.836 898 L CB 0.925 43.090 42.059 0.176 0.000 1.112 898 L HN 0.482 nan 8.230 nan 0.000 0.465 899 R N 4.093 124.641 120.500 0.081 0.000 2.574 899 R HA 0.380 4.720 4.340 0.001 0.000 0.288 899 R C -1.416 174.884 176.300 0.000 0.000 1.004 899 R CA -1.042 55.132 56.100 0.123 0.000 0.895 899 R CB 2.248 32.577 30.300 0.047 0.000 1.191 899 R HN 0.317 nan 8.270 nan 0.000 0.444 900 L N 3.644 124.920 121.223 0.089 0.000 2.290 900 L HA 0.334 4.675 4.340 0.001 0.000 0.284 900 L C -0.891 175.919 176.870 -0.099 0.000 1.078 900 L CA -0.228 54.592 54.840 -0.035 0.000 0.815 900 L CB 1.560 43.634 42.059 0.025 0.000 1.162 900 L HN 0.339 nan 8.230 nan 0.000 0.435 901 V N 6.980 126.739 119.914 -0.257 0.000 2.347 901 V HA 0.525 4.646 4.120 0.001 0.000 0.280 901 V C 0.254 176.113 176.094 -0.392 0.000 1.021 901 V CA -0.371 61.679 62.300 -0.417 0.000 0.847 901 V CB 1.030 32.362 31.823 -0.819 0.000 0.990 901 V HN 0.878 nan 8.190 nan 0.000 0.444 902 M N 2.924 122.383 119.600 -0.234 0.000 2.761 902 M HA 0.533 5.013 4.480 0.001 0.000 0.305 902 M C 0.084 176.329 176.300 -0.093 0.000 1.235 902 M CA -0.761 54.459 55.300 -0.133 0.000 0.850 902 M CB 1.917 34.513 32.600 -0.007 0.000 1.744 902 M HN 0.773 nan 8.290 nan 0.000 0.480 903 E N 0.466 120.644 120.200 -0.036 0.000 2.422 903 E HA 0.054 4.404 4.350 0.001 0.000 0.260 903 E C -1.549 175.100 176.600 0.081 0.000 1.108 903 E CA -0.305 56.098 56.400 0.005 0.000 0.943 903 E CB 0.618 30.314 29.700 -0.006 0.000 0.961 903 E HN 0.548 nan 8.360 nan 0.000 0.443 904 Y N 2.000 122.267 120.300 -0.056 0.000 2.335 904 Y HA 0.387 4.936 4.550 -0.002 0.000 0.338 904 Y C -1.604 174.270 175.900 -0.044 0.000 0.977 904 Y CA -1.513 56.560 58.100 -0.045 0.000 1.114 904 Y CB 1.042 39.477 38.460 -0.042 0.000 1.182 904 Y HN 0.476 nan 8.280 nan 0.000 0.463 905 L N 10.056 131.021 121.223 -0.430 0.000 2.335 905 L HA 0.443 4.784 4.340 0.001 0.000 0.268 905 L C -1.764 174.699 176.870 -0.678 0.000 1.037 905 L CA -1.544 53.009 54.840 -0.478 0.000 0.895 905 L CB 1.330 43.237 42.059 -0.254 0.000 1.266 905 L HN 0.562 nan 8.230 nan 0.000 0.439 906 P HA -0.201 nan 4.420 nan 0.000 0.218 906 P C 1.360 178.528 177.300 -0.219 0.000 1.152 906 P CA 1.233 63.981 63.100 -0.586 0.000 0.857 906 P CB 0.287 31.783 31.700 -0.341 0.000 0.787 907 S N -1.458 114.140 115.700 -0.170 0.000 2.537 907 S HA 0.162 4.633 4.470 0.001 0.000 0.240 907 S C 1.267 175.865 174.600 -0.003 0.000 0.981 907 S CA 0.879 59.055 58.200 -0.041 0.000 0.948 907 S CB -1.109 62.037 63.200 -0.091 0.000 0.759 907 S HN 0.523 nan 8.310 nan 0.000 0.531 908 G N 0.429 109.189 108.800 -0.067 0.000 2.681 908 G HA2 -0.271 3.690 3.960 0.001 0.000 0.220 908 G HA3 -0.271 3.690 3.960 0.001 0.000 0.220 908 G C 0.104 174.985 174.900 -0.031 0.000 1.353 908 G CA -0.576 44.518 45.100 -0.009 0.000 0.872 908 G HN 1.067 nan 8.290 nan 0.000 0.557 909 C N -0.709 118.600 119.300 0.014 0.000 2.459 909 C HA 0.740 5.200 4.460 0.001 0.000 0.374 909 C C 2.117 177.120 174.990 0.022 0.000 1.241 909 C CA -0.081 58.935 59.018 -0.003 0.000 2.352 909 C CB 0.835 28.585 27.740 0.017 0.000 2.490 909 C HN 1.443 nan 8.230 nan 0.000 0.583 910 L N 2.059 123.262 121.223 -0.033 0.000 2.021 910 L HA -0.143 4.197 4.340 0.001 0.000 0.215 910 L C 2.865 179.807 176.870 0.120 0.000 1.074 910 L CA 2.346 57.180 54.840 -0.009 0.000 0.760 910 L CB -1.336 40.676 42.059 -0.078 0.000 0.889 910 L HN 1.004 nan 8.230 nan 0.000 0.433 911 R N -0.342 120.215 120.500 0.095 0.000 2.154 911 R HA -0.244 4.097 4.340 0.001 0.000 0.236 911 R C 1.974 178.357 176.300 0.138 0.000 1.121 911 R CA 2.536 58.706 56.100 0.116 0.000 0.915 911 R CB -0.661 29.693 30.300 0.091 0.000 0.856 911 R HN 0.522 nan 8.270 nan 0.000 0.431 912 D N -0.497 119.980 120.400 0.128 0.000 2.144 912 D HA -0.188 4.452 4.640 0.001 0.000 0.199 912 D C 1.797 178.192 176.300 0.159 0.000 0.984 912 D CA 1.131 55.202 54.000 0.118 0.000 0.834 912 D CB -0.364 40.494 40.800 0.098 0.000 0.955 912 D HN 0.250 nan 8.370 nan 0.000 0.465 913 F N 1.711 121.698 119.950 0.061 0.000 2.126 913 F HA -0.153 4.372 4.527 -0.003 0.000 0.299 913 F C 2.272 178.176 175.800 0.173 0.000 1.096 913 F CA 1.064 59.135 58.000 0.118 0.000 1.255 913 F CB -0.277 38.764 39.000 0.068 0.000 0.997 913 F HN -0.141 nan 8.300 nan 0.000 0.479 914 L N -0.350 121.054 121.223 0.301 0.000 2.265 914 L HA -0.222 4.118 4.340 0.001 0.000 0.215 914 L C 2.262 179.258 176.870 0.211 0.000 1.117 914 L CA 1.206 56.217 54.840 0.285 0.000 0.782 914 L CB -0.584 41.629 42.059 0.258 0.000 0.914 914 L HN 0.309 nan 8.230 nan 0.000 0.441 915 Q N -0.607 119.256 119.800 0.105 0.000 2.165 915 Q HA -0.134 4.207 4.340 0.001 0.000 0.197 915 Q C 2.150 178.103 176.000 -0.078 0.000 0.952 915 Q CA 0.602 56.421 55.803 0.026 0.000 0.848 915 Q CB -0.085 28.674 28.738 0.034 0.000 0.931 915 Q HN 0.384 nan 8.270 nan 0.000 0.470 916 R N 0.216 120.631 120.500 -0.141 0.000 2.189 916 R HA -0.096 4.245 4.340 0.001 0.000 0.223 916 R C 0.862 176.837 176.300 -0.542 0.000 1.092 916 R CA 1.094 57.001 56.100 -0.321 0.000 0.989 916 R CB 0.253 30.341 30.300 -0.353 0.000 0.876 916 R HN 0.278 nan 8.270 nan 0.000 0.457 917 H N -0.928 117.986 119.070 -0.259 0.000 2.662 917 H HA 0.134 4.690 4.556 0.000 0.000 0.268 917 H C 0.837 176.084 175.328 -0.135 0.000 1.152 917 H CA -0.218 55.678 56.048 -0.252 0.000 1.072 917 H CB 0.450 29.931 29.762 -0.469 0.000 1.660 917 H HN 0.199 nan 8.280 nan 0.000 0.584 918 R N 1.059 121.518 120.500 -0.069 0.000 2.228 918 R HA -0.213 4.127 4.340 0.001 0.000 0.259 918 R C 1.684 177.806 176.300 -0.297 0.000 1.183 918 R CA 1.450 57.391 56.100 -0.264 0.000 1.002 918 R CB 0.215 30.283 30.300 -0.386 0.000 0.879 918 R HN 0.295 nan 8.270 nan 0.000 0.467 919 A N 0.861 123.599 122.820 -0.138 0.000 1.909 919 A HA -0.080 4.241 4.320 0.001 0.000 0.215 919 A C 1.850 179.431 177.584 -0.004 0.000 1.392 919 A CA 1.132 53.118 52.037 -0.085 0.000 0.599 919 A CB -0.631 18.334 19.000 -0.059 0.000 1.029 919 A HN 0.367 nan 8.150 nan 0.000 0.480 920 R N -0.325 120.194 120.500 0.031 0.000 2.228 920 R HA -0.178 4.162 4.340 0.001 0.000 0.264 920 R C -0.094 176.245 176.300 0.065 0.000 1.179 920 R CA 0.998 57.126 56.100 0.047 0.000 0.998 920 R CB -1.135 29.198 30.300 0.054 0.000 0.885 920 R HN 0.472 nan 8.270 nan 0.000 0.466 921 L N 2.843 124.133 121.223 0.112 0.000 2.361 921 L HA 0.099 4.439 4.340 0.001 0.000 0.278 921 L C 0.018 176.991 176.870 0.172 0.000 1.113 921 L CA -0.571 54.367 54.840 0.163 0.000 0.849 921 L CB 0.343 42.576 42.059 0.290 0.000 1.155 921 L HN 0.124 nan 8.230 nan 0.000 0.452 922 D N 2.543 122.997 120.400 0.089 0.000 2.414 922 D HA 0.411 5.051 4.640 0.001 0.000 0.241 922 D C 0.757 177.078 176.300 0.035 0.000 1.008 922 D CA -0.427 53.622 54.000 0.082 0.000 1.001 922 D CB 1.592 42.427 40.800 0.058 0.000 1.277 922 D HN 0.368 nan 8.370 nan 0.000 0.538 923 A N 1.027 123.896 122.820 0.081 0.000 1.929 923 A HA -0.288 4.032 4.320 0.001 0.000 0.221 923 A C 2.094 179.758 177.584 0.133 0.000 1.211 923 A CA 3.691 55.817 52.037 0.148 0.000 0.657 923 A CB -1.504 17.623 19.000 0.210 0.000 0.827 923 A HN 0.783 nan 8.150 nan 0.000 0.462 924 S N -0.233 115.533 115.700 0.111 0.000 2.383 924 S HA -0.261 4.210 4.470 0.001 0.000 0.229 924 S C 1.978 176.715 174.600 0.228 0.000 1.030 924 S CA 1.569 59.888 58.200 0.198 0.000 1.002 924 S CB -0.451 62.780 63.200 0.051 0.000 0.829 924 S HN 0.662 nan 8.310 nan 0.000 0.467 925 R N 1.345 121.854 120.500 0.014 0.000 2.075 925 R HA 0.135 4.475 4.340 0.001 0.000 0.232 925 R C 2.302 178.254 176.300 -0.580 0.000 1.126 925 R CA 1.323 57.276 56.100 -0.245 0.000 0.963 925 R CB -0.650 29.517 30.300 -0.221 0.000 0.858 925 R HN 0.495 nan 8.270 nan 0.000 0.435 926 L N 0.266 121.256 121.223 -0.389 0.000 2.083 926 L HA -0.154 4.186 4.340 0.001 0.000 0.209 926 L C 2.282 179.035 176.870 -0.195 0.000 1.083 926 L CA 1.078 55.649 54.840 -0.448 0.000 0.752 926 L CB -0.418 41.111 42.059 -0.884 0.000 0.899 926 L HN 0.265 nan 8.230 nan 0.000 0.433 927 L N -0.763 120.471 121.223 0.018 0.000 2.141 927 L HA -0.208 4.133 4.340 0.001 0.000 0.209 927 L C 2.518 179.362 176.870 -0.044 0.000 1.094 927 L CA 0.556 55.488 54.840 0.153 0.000 0.763 927 L CB -0.372 41.862 42.059 0.292 0.000 0.908 927 L HN 0.232 nan 8.230 nan 0.000 0.437 928 L N -0.976 120.110 121.223 -0.229 0.000 2.017 928 L HA -0.244 4.097 4.340 0.001 0.000 0.208 928 L C 2.472 179.213 176.870 -0.216 0.000 1.073 928 L CA 1.927 56.493 54.840 -0.456 0.000 0.745 928 L CB -0.599 41.156 42.059 -0.507 0.000 0.894 928 L HN 0.108 nan 8.230 nan 0.000 0.432 929 Y N -0.541 119.695 120.300 -0.107 0.000 2.224 929 Y HA -0.126 4.425 4.550 0.002 0.000 0.289 929 Y C 2.818 178.699 175.900 -0.031 0.000 1.146 929 Y CA 0.943 58.999 58.100 -0.074 0.000 1.182 929 Y CB -1.467 36.963 38.460 -0.051 0.000 0.983 929 Y HN 0.202 nan 8.280 nan 0.000 0.524 930 S N -0.639 115.159 115.700 0.163 0.000 2.356 930 S HA -0.236 4.235 4.470 0.001 0.000 0.223 930 S C 2.374 177.102 174.600 0.214 0.000 1.032 930 S CA 1.434 59.776 58.200 0.237 0.000 1.005 930 S CB -0.686 62.659 63.200 0.241 0.000 0.867 930 S HN 0.503 nan 8.310 nan 0.000 0.449 931 S N 1.189 116.906 115.700 0.028 0.000 2.365 931 S HA -0.214 4.256 4.470 0.001 0.000 0.225 931 S C 1.999 176.434 174.600 -0.275 0.000 1.039 931 S CA 1.542 59.676 58.200 -0.110 0.000 1.033 931 S CB -0.397 62.658 63.200 -0.240 0.000 0.887 931 S HN 0.560 nan 8.310 nan 0.000 0.447 932 Q N -0.050 119.520 119.800 -0.383 0.000 2.119 932 Q HA 0.004 4.344 4.340 0.001 0.000 0.201 932 Q C 2.240 177.936 176.000 -0.505 0.000 0.972 932 Q CA 1.518 56.826 55.803 -0.825 0.000 0.847 932 Q CB -0.260 28.104 28.738 -0.624 0.000 0.903 932 Q HN 0.597 nan 8.270 nan 0.000 0.433 933 I N 0.008 120.516 120.570 -0.103 0.000 2.252 933 I HA -0.306 3.864 4.170 0.001 0.000 0.245 933 I C 2.596 178.673 176.117 -0.066 0.000 1.102 933 I CA 0.509 61.840 61.300 0.052 0.000 1.385 933 I CB -0.338 37.834 38.000 0.286 0.000 1.064 933 I HN 0.353 nan 8.210 nan 0.000 0.414 934 C N 1.544 120.782 119.300 -0.104 0.000 2.413 934 C HA -0.174 4.286 4.460 0.001 0.000 0.276 934 C C 2.878 177.728 174.990 -0.234 0.000 1.248 934 C CA 1.170 60.014 59.018 -0.290 0.000 1.742 934 C CB -0.842 26.792 27.740 -0.176 0.000 2.017 934 C HN 0.383 nan 8.230 nan 0.000 0.481 935 K N -0.091 120.178 120.400 -0.218 0.000 2.009 935 K HA -0.108 4.212 4.320 0.001 0.000 0.210 935 K C 2.157 178.780 176.600 0.039 0.000 1.049 935 K CA 1.810 58.020 56.287 -0.129 0.000 0.929 935 K CB -0.768 31.527 32.500 -0.341 0.000 0.714 935 K HN 0.609 nan 8.250 nan 0.000 0.440 936 G N 0.666 109.516 108.800 0.083 0.000 2.470 936 G HA2 -0.221 3.739 3.960 0.001 0.000 0.220 936 G HA3 -0.221 3.739 3.960 0.001 0.000 0.220 936 G C 1.376 176.328 174.900 0.086 0.000 1.121 936 G CA 0.504 45.742 45.100 0.230 0.000 0.766 936 G HN 0.103 nan 8.290 nan 0.000 0.553 937 M N 0.052 119.526 119.600 -0.211 0.000 2.357 937 M HA 0.203 4.683 4.480 0.001 0.000 0.266 937 M C 2.166 178.175 176.300 -0.486 0.000 1.095 937 M CA 0.768 55.721 55.300 -0.579 0.000 1.156 937 M CB -0.190 31.515 32.600 -1.491 0.000 1.365 937 M HN 0.390 nan 8.290 nan 0.000 0.447 938 E N -1.192 118.852 120.200 -0.260 0.000 2.077 938 E HA -0.268 4.082 4.350 0.001 0.000 0.193 938 E C 2.003 178.639 176.600 0.060 0.000 0.989 938 E CA 1.366 57.767 56.400 0.002 0.000 0.800 938 E CB -0.296 29.451 29.700 0.078 0.000 0.746 938 E HN 0.551 nan 8.360 nan 0.000 0.452 939 Y N 1.335 121.626 120.300 -0.015 0.000 2.114 939 Y HA -0.224 4.326 4.550 -0.001 0.000 0.284 939 Y C 2.110 178.017 175.900 0.013 0.000 1.143 939 Y CA 1.657 59.769 58.100 0.019 0.000 1.135 939 Y CB -0.509 37.979 38.460 0.047 0.000 0.980 939 Y HN 0.046 nan 8.280 nan 0.000 0.499 940 L N -0.230 120.932 121.223 -0.101 0.000 2.051 940 L HA -0.270 4.070 4.340 0.001 0.000 0.214 940 L C 2.525 179.315 176.870 -0.134 0.000 1.076 940 L CA 1.873 56.630 54.840 -0.139 0.000 0.758 940 L CB -1.290 40.806 42.059 0.061 0.000 0.890 940 L HN 0.554 nan 8.230 nan 0.000 0.433 941 G N -0.766 107.997 108.800 -0.062 0.000 2.418 941 G HA2 -0.325 3.635 3.960 0.001 0.000 0.217 941 G HA3 -0.325 3.635 3.960 0.001 0.000 0.217 941 G C 1.705 176.579 174.900 -0.043 0.000 1.158 941 G CA 1.006 46.109 45.100 0.004 0.000 0.771 941 G HN 0.552 nan 8.290 nan 0.000 0.545 942 S N 0.507 116.152 115.700 -0.092 0.000 2.442 942 S HA -0.042 4.428 4.470 0.001 0.000 0.236 942 S C 1.952 176.461 174.600 -0.153 0.000 1.007 942 S CA 0.791 58.932 58.200 -0.099 0.000 0.965 942 S CB -0.135 63.014 63.200 -0.085 0.000 0.773 942 S HN 0.243 nan 8.310 nan 0.000 0.504 943 R N 1.183 121.535 120.500 -0.247 0.000 2.335 943 R HA 0.281 4.622 4.340 0.001 0.000 0.223 943 R C 0.259 176.488 176.300 -0.118 0.000 0.940 943 R CA -0.001 55.965 56.100 -0.224 0.000 1.086 943 R CB -0.904 29.189 30.300 -0.345 0.000 1.073 943 R HN 0.552 nan 8.270 nan 0.000 0.504 944 R N -0.911 119.547 120.500 -0.071 0.000 3.641 944 R HA -0.180 4.160 4.340 0.001 0.000 0.286 944 R C -0.218 176.078 176.300 -0.008 0.000 1.153 944 R CA 0.944 57.030 56.100 -0.023 0.000 0.775 944 R CB -2.770 27.517 30.300 -0.022 0.000 1.215 944 R HN 0.290 nan 8.270 nan 0.000 0.474 945 C N 0.261 119.557 119.300 -0.007 0.000 2.456 945 C HA 0.704 5.164 4.460 0.001 0.000 0.325 945 C C 0.314 175.359 174.990 0.092 0.000 1.217 945 C CA -0.511 58.525 59.018 0.029 0.000 1.687 945 C CB 1.610 29.352 27.740 0.004 0.000 2.270 945 C HN 0.237 nan 8.230 nan 0.000 0.499 946 V N 6.292 126.276 119.914 0.117 0.000 2.448 946 V HA 0.334 4.455 4.120 0.001 0.000 0.295 946 V C 0.950 177.153 176.094 0.182 0.000 1.025 946 V CA -0.291 62.113 62.300 0.173 0.000 0.859 946 V CB 1.224 33.154 31.823 0.179 0.000 0.988 946 V HN 1.031 nan 8.190 nan 0.000 0.431 947 H N 4.123 123.278 119.070 0.141 0.000 2.403 947 H HA 0.042 4.596 4.556 -0.003 0.000 0.298 947 H C 1.873 177.235 175.328 0.056 0.000 1.059 947 H CA 1.888 57.985 56.048 0.082 0.000 1.363 947 H CB 0.393 30.168 29.762 0.023 0.000 1.410 947 H HN 0.768 nan 8.280 nan 0.000 0.528 948 R N -1.137 119.563 120.500 0.332 0.000 3.872 948 R HA -0.191 4.149 4.340 0.001 0.000 0.377 948 R C -0.179 176.363 176.300 0.404 0.000 0.628 948 R CA 1.782 58.027 56.100 0.242 0.000 1.612 948 R CB -1.326 28.876 30.300 -0.163 0.000 2.008 948 R HN 0.287 nan 8.270 nan 0.000 0.414 949 D N 0.389 121.102 120.400 0.521 0.000 2.980 949 D HA 0.205 4.845 4.640 0.001 0.000 0.333 949 D C -1.060 175.384 176.300 0.239 0.000 1.356 949 D CA -0.350 53.902 54.000 0.421 0.000 0.847 949 D CB 0.302 41.259 40.800 0.262 0.000 1.122 949 D HN -0.030 nan 8.370 nan 0.000 0.475 950 L N 1.515 122.815 121.223 0.128 0.000 2.513 950 L HA 0.445 4.785 4.340 0.001 0.000 0.272 950 L C 0.030 176.989 176.870 0.149 0.000 1.187 950 L CA 0.300 55.108 54.840 -0.054 0.000 0.895 950 L CB 0.254 42.373 42.059 0.100 0.000 1.147 950 L HN 0.235 nan 8.230 nan 0.000 0.483 951 A N 3.532 126.405 122.820 0.088 0.000 2.599 951 A HA 0.672 4.992 4.320 0.001 0.000 0.294 951 A C 0.492 178.155 177.584 0.132 0.000 1.055 951 A CA -0.119 52.035 52.037 0.196 0.000 0.683 951 A CB 0.389 19.386 19.000 -0.006 0.000 1.278 951 A HN 0.848 nan 8.150 nan 0.000 0.412 952 A N 0.995 123.937 122.820 0.203 0.000 1.978 952 A HA -0.173 4.147 4.320 0.001 0.000 0.220 952 A C 1.906 179.530 177.584 0.067 0.000 1.170 952 A CA 2.057 54.168 52.037 0.124 0.000 0.636 952 A CB -0.622 18.474 19.000 0.159 0.000 0.810 952 A HN 1.108 nan 8.150 nan 0.000 0.448 953 R N -0.991 119.538 120.500 0.049 0.000 2.285 953 R HA -0.013 4.328 4.340 0.001 0.000 0.213 953 R C 0.396 176.695 176.300 -0.002 0.000 1.068 953 R CA 1.459 57.565 56.100 0.010 0.000 1.004 953 R CB -0.416 29.861 30.300 -0.037 0.000 0.873 953 R HN 0.319 nan 8.270 nan 0.000 0.467 954 N N 0.275 118.973 118.700 -0.003 0.000 2.230 954 N HA 0.170 4.910 4.740 0.001 0.000 0.202 954 N C -0.776 174.728 175.510 -0.011 0.000 1.119 954 N CA 0.105 53.150 53.050 -0.008 0.000 0.851 954 N CB 0.623 39.101 38.487 -0.016 0.000 0.990 954 N HN 0.103 nan 8.380 nan 0.000 0.497 955 I N 1.697 122.261 120.570 -0.010 0.000 2.354 955 I HA 0.348 4.518 4.170 0.001 0.000 0.292 955 I C 0.227 176.311 176.117 -0.055 0.000 0.989 955 I CA -0.643 60.643 61.300 -0.024 0.000 1.188 955 I CB 1.194 39.176 38.000 -0.029 0.000 1.342 955 I HN -0.208 nan 8.210 nan 0.000 0.457 956 L N 5.613 126.799 121.223 -0.063 0.000 2.334 956 L HA 0.647 4.987 4.340 0.001 0.000 0.270 956 L C -0.354 176.396 176.870 -0.200 0.000 1.018 956 L CA -1.171 53.604 54.840 -0.107 0.000 0.811 956 L CB 2.070 44.089 42.059 -0.065 0.000 1.271 956 L HN 0.144 nan 8.230 nan 0.000 0.443 957 V N 0.949 120.698 119.914 -0.276 0.000 2.347 957 V HA 0.118 4.238 4.120 0.001 0.000 0.280 957 V C 0.632 176.536 176.094 -0.317 0.000 1.021 957 V CA -0.309 61.751 62.300 -0.400 0.000 0.847 957 V CB 1.332 32.740 31.823 -0.692 0.000 0.990 957 V HN 0.862 nan 8.190 nan 0.000 0.444 958 E N 4.507 124.525 120.200 -0.304 0.000 2.060 958 E HA 0.013 4.363 4.350 0.001 0.000 0.189 958 E C 0.787 177.262 176.600 -0.209 0.000 0.974 958 E CA 1.221 57.436 56.400 -0.307 0.000 0.808 958 E CB 0.351 29.718 29.700 -0.555 0.000 0.768 958 E HN 0.827 nan 8.360 nan 0.000 0.453 959 S N -1.717 113.893 115.700 -0.151 0.000 2.643 959 S HA 0.289 4.759 4.470 0.001 0.000 0.270 959 S C 0.489 175.072 174.600 -0.029 0.000 1.166 959 S CA -0.642 57.524 58.200 -0.056 0.000 0.815 959 S CB 0.900 64.111 63.200 0.019 0.000 1.139 959 S HN 0.036 nan 8.310 nan 0.000 0.472 960 E N 0.596 120.830 120.200 0.056 0.000 2.187 960 E HA -0.176 4.174 4.350 0.001 0.000 0.199 960 E C 1.270 178.015 176.600 0.242 0.000 1.004 960 E CA 1.735 58.230 56.400 0.158 0.000 0.813 960 E CB -0.256 29.536 29.700 0.154 0.000 0.736 960 E HN 0.768 nan 8.360 nan 0.000 0.468 961 A N 0.114 123.054 122.820 0.201 0.000 2.701 961 A HA 0.164 4.485 4.320 0.001 0.000 0.297 961 A C -0.314 177.431 177.584 0.268 0.000 1.197 961 A CA -0.243 51.932 52.037 0.230 0.000 0.963 961 A CB -0.077 19.001 19.000 0.130 0.000 1.175 961 A HN 0.248 nan 8.150 nan 0.000 0.531 962 H N -0.688 118.457 119.070 0.125 0.000 3.235 962 H HA 0.459 5.015 4.556 0.000 0.000 0.324 962 H C -1.470 173.843 175.328 -0.025 0.000 1.059 962 H CA -0.604 55.498 56.048 0.089 0.000 1.497 962 H CB 1.699 31.495 29.762 0.057 0.000 1.986 962 H HN 0.334 nan 8.280 nan 0.000 0.444 963 V N 1.870 121.984 119.914 0.334 0.000 3.019 963 V HA 0.719 4.840 4.120 0.001 0.000 0.317 963 V C -0.887 175.344 176.094 0.228 0.000 1.094 963 V CA -0.785 61.548 62.300 0.055 0.000 1.000 963 V CB 2.250 33.962 31.823 -0.185 0.000 1.060 963 V HN 0.689 nan 8.190 nan 0.000 0.443 964 K N 2.018 122.464 120.400 0.078 0.000 2.482 964 K HA 0.662 4.982 4.320 0.001 0.000 0.257 964 K C -1.435 175.233 176.600 0.113 0.000 0.969 964 K CA -0.820 55.553 56.287 0.143 0.000 0.842 964 K CB 2.773 35.315 32.500 0.071 0.000 1.359 964 K HN 0.687 nan 8.250 nan 0.000 0.441 965 I N 1.980 122.657 120.570 0.178 0.000 2.371 965 I HA 0.304 4.474 4.170 0.001 0.000 0.290 965 I C 0.153 176.389 176.117 0.199 0.000 1.028 965 I CA -0.119 61.265 61.300 0.140 0.000 1.345 965 I CB 1.350 39.448 38.000 0.163 0.000 1.407 965 I HN 0.651 nan 8.210 nan 0.000 0.501 966 A N 4.128 126.998 122.820 0.084 0.000 2.392 966 A HA 0.595 4.915 4.320 0.001 0.000 0.283 966 A C -0.457 177.119 177.584 -0.013 0.000 1.197 966 A CA -0.487 51.624 52.037 0.124 0.000 0.895 966 A CB 0.738 19.798 19.000 0.101 0.000 1.400 966 A HN 0.738 nan 8.150 nan 0.000 0.461 967 D N -1.782 118.666 120.400 0.081 0.000 4.075 967 D HA -0.170 4.471 4.640 0.001 0.000 0.228 967 D C -0.887 175.276 176.300 -0.227 0.000 1.057 967 D CA 0.864 54.879 54.000 0.024 0.000 1.199 967 D CB -0.999 39.807 40.800 0.010 0.000 0.777 967 D HN 0.415 nan 8.370 nan 0.000 0.388 968 F N 1.174 121.103 119.950 -0.035 0.000 2.772 968 F HA 0.372 4.903 4.527 0.007 0.000 0.302 968 F C 2.074 177.825 175.800 -0.082 0.000 1.136 968 F CA -0.015 57.891 58.000 -0.156 0.000 1.322 968 F CB 0.886 39.832 39.000 -0.089 0.000 0.967 968 F HN 0.394 nan 8.300 nan 0.000 0.513 969 G N -0.110 108.738 108.800 0.080 0.000 2.484 969 G HA2 -0.093 3.868 3.960 0.001 0.000 0.218 969 G HA3 -0.093 3.868 3.960 0.001 0.000 0.218 969 G C 1.306 176.246 174.900 0.067 0.000 1.130 969 G CA 0.664 45.839 45.100 0.125 0.000 0.784 969 G HN 0.376 nan 8.290 nan 0.000 0.543 970 L N 0.351 121.548 121.223 -0.044 0.000 2.664 970 L HA 0.447 4.787 4.340 0.001 0.000 0.233 970 L C 1.665 178.471 176.870 -0.106 0.000 1.113 970 L CA -0.164 54.634 54.840 -0.071 0.000 0.896 970 L CB 0.244 42.242 42.059 -0.103 0.000 1.163 970 L HN 0.124 nan 8.230 nan 0.000 0.497 971 A N 0.742 123.501 122.820 -0.101 0.000 2.507 971 A HA 0.324 4.645 4.320 0.001 0.000 0.235 971 A C 0.154 177.730 177.584 -0.012 0.000 1.070 971 A CA 0.459 52.470 52.037 -0.043 0.000 0.768 971 A CB 0.186 19.232 19.000 0.077 0.000 1.011 971 A HN 0.063 nan 8.150 nan 0.000 0.502 972 K N 0.832 121.235 120.400 0.006 0.000 2.468 972 K HA 0.454 4.774 4.320 0.001 0.000 0.252 972 K C -1.697 174.915 176.600 0.020 0.000 0.932 972 K CA -0.794 55.495 56.287 0.004 0.000 0.794 972 K CB 1.866 34.363 32.500 -0.005 0.000 1.241 972 K HN 0.450 nan 8.250 nan 0.000 0.428 973 L N 3.026 124.253 121.223 0.005 0.000 2.290 973 L HA 0.349 4.689 4.340 0.001 0.000 0.284 973 L C -0.053 176.824 176.870 0.011 0.000 1.078 973 L CA -0.274 54.567 54.840 0.001 0.000 0.815 973 L CB 0.423 42.471 42.059 -0.018 0.000 1.162 973 L HN 0.448 nan 8.230 nan 0.000 0.435 974 L N 7.246 128.481 121.223 0.019 0.000 2.462 974 L HA 0.198 4.538 4.340 0.001 0.000 0.272 974 L C -1.662 175.217 176.870 0.015 0.000 1.166 974 L CA -1.615 53.241 54.840 0.027 0.000 0.880 974 L CB 0.261 42.342 42.059 0.036 0.000 1.142 974 L HN 0.463 nan 8.230 nan 0.000 0.473 975 P HA -0.006 nan 4.420 nan 0.000 0.269 975 P C 0.932 178.238 177.300 0.010 0.000 1.209 975 P CA -0.202 62.904 63.100 0.010 0.000 0.776 975 P CB 0.959 32.666 31.700 0.011 0.000 0.876 976 L N 1.457 122.683 121.223 0.005 0.000 2.129 976 L HA -0.206 4.135 4.340 0.001 0.000 0.212 976 L C 1.936 178.811 176.870 0.008 0.000 1.087 976 L CA 1.969 56.812 54.840 0.004 0.000 0.757 976 L CB -0.763 41.296 42.059 0.001 0.000 0.896 976 L HN 0.514 nan 8.230 nan 0.000 0.434 977 D N -1.003 119.402 120.400 0.009 0.000 2.340 977 D HA -0.008 4.633 4.640 0.001 0.000 0.220 977 D C 0.453 176.762 176.300 0.014 0.000 1.039 977 D CA 0.228 54.234 54.000 0.010 0.000 0.866 977 D CB 0.344 41.148 40.800 0.008 0.000 0.913 977 D HN 0.263 nan 8.370 nan 0.000 0.523 978 K N 0.002 120.412 120.400 0.017 0.000 2.482 978 K HA 0.329 4.649 4.320 0.001 0.000 0.257 978 K C -0.871 175.747 176.600 0.030 0.000 0.969 978 K CA -0.842 55.458 56.287 0.023 0.000 0.842 978 K CB 2.336 34.850 32.500 0.024 0.000 1.359 978 K HN -0.152 nan 8.250 nan 0.000 0.441 983 V N 5.019 125.025 119.914 0.153 0.000 2.443 983 V HA 0.456 4.576 4.120 0.001 0.000 0.293 983 V C 1.066 177.204 176.094 0.074 0.000 1.021 983 V CA -0.523 61.811 62.300 0.056 0.000 0.848 983 V CB 1.687 33.457 31.823 -0.087 0.000 0.998 983 V HN 0.843 nan 8.190 nan 0.000 0.424 984 R N 1.178 121.696 120.500 0.031 0.000 2.115 984 R HA -0.024 4.316 4.340 0.001 0.000 0.230 984 R C 0.175 176.477 176.300 0.004 0.000 1.111 984 R CA 0.720 56.834 56.100 0.024 0.000 0.976 984 R CB 0.344 30.649 30.300 0.009 0.000 0.870 984 R HN 0.701 nan 8.270 nan 0.000 0.445 985 E N 1.542 121.729 120.200 -0.021 0.000 2.324 985 E HA 0.055 4.406 4.350 0.001 0.000 0.271 985 E C -2.062 174.482 176.600 -0.093 0.000 1.028 985 E CA -1.351 55.030 56.400 -0.032 0.000 0.890 985 E CB 0.533 30.226 29.700 -0.012 0.000 1.004 985 E HN 0.170 nan 8.360 nan 0.000 0.431 986 P HA 0.222 nan 4.420 nan 0.000 0.293 986 P C 0.106 177.288 177.300 -0.197 0.000 1.304 986 P CA -0.575 62.417 63.100 -0.180 0.000 0.767 986 P CB 0.774 32.380 31.700 -0.157 0.000 1.247 987 G N -0.734 107.907 108.800 -0.266 0.000 2.525 987 G HA2 0.151 4.112 3.960 0.001 0.000 0.287 987 G HA3 0.151 4.112 3.960 0.001 0.000 0.287 987 G C 0.403 175.323 174.900 0.033 0.000 1.350 987 G CA -0.331 44.752 45.100 -0.029 0.000 1.039 987 G HN 0.506 nan 8.290 nan 0.000 0.513 988 Q N -0.961 118.865 119.800 0.043 0.000 2.356 988 Q HA 0.114 4.454 4.340 0.001 0.000 0.205 988 Q C 0.979 176.948 176.000 -0.051 0.000 0.901 988 Q CA 0.054 55.833 55.803 -0.040 0.000 0.938 988 Q CB 0.453 29.122 28.738 -0.114 0.000 1.081 988 Q HN 0.496 nan 8.270 nan 0.000 0.517 989 S N 0.591 116.281 115.700 -0.017 0.000 2.654 989 S HA 0.478 4.948 4.470 0.001 0.000 0.283 989 S C -2.535 172.033 174.600 -0.053 0.000 1.180 989 S CA -1.636 56.389 58.200 -0.292 0.000 1.021 989 S CB 0.957 63.634 63.200 -0.872 0.000 1.018 989 S HN -0.169 nan 8.310 nan 0.000 0.532 990 P HA 0.026 nan 4.420 nan 0.000 0.267 990 P C 1.213 178.646 177.300 0.221 0.000 1.195 990 P CA -0.187 63.027 63.100 0.190 0.000 0.773 990 P CB 0.119 32.131 31.700 0.520 0.000 0.837 991 I N -2.036 118.471 120.570 -0.105 0.000 2.623 991 I HA -0.234 3.936 4.170 0.001 0.000 0.261 991 I C 0.905 176.856 176.117 -0.276 0.000 1.204 991 I CA 1.582 62.786 61.300 -0.160 0.000 1.444 991 I CB -0.907 36.822 38.000 -0.451 0.000 1.094 991 I HN 0.146 nan 8.210 nan 0.000 0.451 992 F N -0.524 119.532 119.950 0.176 0.000 2.802 992 F HA 0.087 4.600 4.527 -0.023 0.000 0.300 992 F C 1.942 177.698 175.800 -0.073 0.000 1.168 992 F CA 0.194 58.164 58.000 -0.050 0.000 1.433 992 F CB -0.460 38.510 39.000 -0.050 0.000 1.115 992 F HN 0.206 nan 8.300 nan 0.000 0.582 993 W N -1.215 119.980 121.300 -0.175 0.000 2.996 993 W HA 0.119 4.808 4.660 0.048 0.000 0.270 993 W C -0.069 176.272 176.519 -0.296 0.000 1.280 993 W CA 0.098 57.269 57.345 -0.289 0.000 1.549 993 W CB 0.055 29.173 29.460 -0.570 0.000 1.079 993 W HN -0.020 nan 8.180 nan 0.000 0.629 994 Y N 0.477 120.943 120.300 0.276 0.000 2.403 994 Y HA 0.539 5.080 4.550 -0.014 0.000 0.323 994 Y C 0.711 176.290 175.900 -0.535 0.000 1.226 994 Y CA -1.308 56.809 58.100 0.029 0.000 1.235 994 Y CB 0.223 38.688 38.460 0.009 0.000 1.248 994 Y HN -0.296 nan 8.280 nan 0.000 0.489 995 A N 3.112 125.553 122.820 -0.632 0.000 2.445 995 A HA 0.209 4.530 4.320 0.001 0.000 0.242 995 A C -1.511 175.552 177.584 -0.868 0.000 1.075 995 A CA -1.244 50.007 52.037 -1.310 0.000 0.777 995 A CB -0.155 18.448 19.000 -0.662 0.000 1.013 995 A HN 0.633 nan 8.150 nan 0.000 0.493 996 P HA -0.245 nan 4.420 nan 0.000 0.215 996 P C 1.114 178.197 177.300 -0.362 0.000 1.157 996 P CA 1.777 64.577 63.100 -0.500 0.000 0.868 996 P CB -0.035 31.436 31.700 -0.382 0.000 0.788 997 E N 0.389 120.384 120.200 -0.342 0.000 2.209 997 E HA -0.125 4.226 4.350 0.001 0.000 0.196 997 E C 1.782 178.170 176.600 -0.353 0.000 0.993 997 E CA 1.306 57.543 56.400 -0.271 0.000 0.819 997 E CB -1.205 28.372 29.700 -0.206 0.000 0.745 997 E HN 0.189 nan 8.360 nan 0.000 0.477 998 S N 1.006 116.400 115.700 -0.511 0.000 2.371 998 S HA 0.050 4.520 4.470 0.001 0.000 0.224 998 S C 2.131 176.460 174.600 -0.452 0.000 1.029 998 S CA 0.798 58.526 58.200 -0.788 0.000 0.978 998 S CB -0.171 62.373 63.200 -1.093 0.000 0.833 998 S HN 0.213 nan 8.310 nan 0.000 0.466 999 L N 1.414 122.442 121.223 -0.325 0.000 2.109 999 L HA -0.041 4.299 4.340 0.001 0.000 0.207 999 L C 2.692 179.462 176.870 -0.166 0.000 1.086 999 L CA 1.388 56.101 54.840 -0.212 0.000 0.760 999 L CB -0.524 41.415 42.059 -0.201 0.000 0.910 999 L HN 0.428 nan 8.230 nan 0.000 0.437 1000 S N -2.136 113.460 115.700 -0.173 0.000 2.421 1000 S HA -0.029 4.441 4.470 0.001 0.000 0.224 1000 S C 1.206 175.744 174.600 -0.104 0.000 1.035 1000 S CA 0.504 58.630 58.200 -0.123 0.000 0.953 1000 S CB 0.110 63.241 63.200 -0.116 0.000 0.810 1000 S HN 0.337 nan 8.310 nan 0.000 0.497 1001 D N 1.093 121.418 120.400 -0.125 0.000 2.503 1001 D HA 0.238 4.878 4.640 0.001 0.000 0.218 1001 D C -0.487 175.766 176.300 -0.079 0.000 1.183 1001 D CA -0.117 53.828 54.000 -0.090 0.000 0.827 1001 D CB 0.184 40.934 40.800 -0.083 0.000 1.034 1001 D HN 0.207 nan 8.370 nan 0.000 0.510 1002 N N 0.978 119.612 118.700 -0.109 0.000 2.735 1002 N HA -0.189 4.551 4.740 0.001 0.000 0.248 1002 N C -0.400 175.109 175.510 -0.001 0.000 1.083 1002 N CA 0.575 53.615 53.050 -0.017 0.000 0.703 1002 N CB -1.517 37.018 38.487 0.080 0.000 1.005 1002 N HN 0.445 nan 8.380 nan 0.000 0.550 1003 I N 0.789 121.224 120.570 -0.225 0.000 2.312 1003 I HA 0.310 4.481 4.170 0.001 0.000 0.290 1003 I C -0.021 175.878 176.117 -0.364 0.000 1.008 1003 I CA -0.439 60.771 61.300 -0.150 0.000 1.226 1003 I CB 0.382 38.312 38.000 -0.116 0.000 1.371 1003 I HN -0.143 nan 8.210 nan 0.000 0.468 1004 F N 4.503 124.461 119.950 0.014 0.000 2.522 1004 F HA 0.663 5.187 4.527 -0.004 0.000 0.324 1004 F C 0.425 176.266 175.800 0.068 0.000 1.077 1004 F CA -0.335 57.695 58.000 0.050 0.000 0.944 1004 F CB 2.104 41.139 39.000 0.058 0.000 1.175 1004 F HN 0.469 nan 8.300 nan 0.000 0.468 1005 S N 1.261 117.121 115.700 0.266 0.000 2.703 1005 S HA 0.467 4.937 4.470 0.001 0.000 0.273 1005 S C 0.323 175.063 174.600 0.233 0.000 1.178 1005 S CA -1.117 57.205 58.200 0.203 0.000 0.838 1005 S CB 1.533 64.810 63.200 0.130 0.000 1.178 1005 S HN 0.582 nan 8.310 nan 0.000 0.494 1006 R N 0.222 120.844 120.500 0.203 0.000 2.120 1006 R HA -0.062 4.278 4.340 0.001 0.000 0.234 1006 R C 1.895 178.353 176.300 0.263 0.000 1.123 1006 R CA 1.803 58.058 56.100 0.259 0.000 0.975 1006 R CB -0.510 29.919 30.300 0.215 0.000 0.866 1006 R HN 0.591 nan 8.270 nan 0.000 0.446 1007 Q N -0.126 119.779 119.800 0.175 0.000 2.224 1007 Q HA -0.081 4.259 4.340 0.001 0.000 0.203 1007 Q C 2.133 178.257 176.000 0.207 0.000 0.970 1007 Q CA 1.696 57.582 55.803 0.138 0.000 0.865 1007 Q CB 0.058 28.854 28.738 0.097 0.000 0.922 1007 Q HN 0.347 nan 8.270 nan 0.000 0.445 1008 S N -0.305 115.530 115.700 0.226 0.000 2.425 1008 S HA -0.087 4.384 4.470 0.001 0.000 0.225 1008 S C 1.389 176.236 174.600 0.411 0.000 1.024 1008 S CA 0.768 59.122 58.200 0.257 0.000 0.951 1008 S CB -0.054 63.234 63.200 0.146 0.000 0.796 1008 S HN 0.152 nan 8.310 nan 0.000 0.498 1009 D N 1.649 122.311 120.400 0.436 0.000 2.144 1009 D HA -0.028 4.612 4.640 0.001 0.000 0.199 1009 D C 2.081 178.760 176.300 0.633 0.000 0.984 1009 D CA 0.951 55.272 54.000 0.535 0.000 0.834 1009 D CB -0.419 40.706 40.800 0.542 0.000 0.955 1009 D HN 0.307 nan 8.370 nan 0.000 0.465 1010 V N 0.954 121.119 119.914 0.419 0.000 2.287 1010 V HA -0.224 3.896 4.120 0.001 0.000 0.248 1010 V C 2.223 178.519 176.094 0.337 0.000 1.053 1010 V CA 1.522 63.871 62.300 0.081 0.000 1.027 1010 V CB -0.521 31.164 31.823 -0.229 0.000 0.646 1010 V HN 0.403 nan 8.190 nan 0.000 0.447 1011 W N 1.216 122.653 121.300 0.228 0.000 2.315 1011 W HA -0.237 4.419 4.660 -0.006 0.000 0.323 1011 W C 2.573 179.332 176.519 0.400 0.000 1.233 1011 W CA 2.369 59.912 57.345 0.330 0.000 1.267 1011 W CB -0.739 28.891 29.460 0.283 0.000 1.160 1011 W HN 0.328 nan 8.180 nan 0.000 0.474 1012 S N 0.688 116.832 115.700 0.740 0.000 2.419 1012 S HA -0.229 4.241 4.470 0.001 0.000 0.235 1012 S C 1.503 176.367 174.600 0.439 0.000 1.019 1012 S CA 1.498 60.038 58.200 0.567 0.000 0.982 1012 S CB -0.954 62.553 63.200 0.510 0.000 0.789 1012 S HN 0.342 nan 8.310 nan 0.000 0.490 1013 F N 2.666 122.819 119.950 0.337 0.000 2.171 1013 F HA 0.004 4.531 4.527 0.001 0.000 0.300 1013 F C 2.220 178.121 175.800 0.168 0.000 1.090 1013 F CA 1.149 59.316 58.000 0.278 0.000 1.293 1013 F CB -0.961 38.269 39.000 0.384 0.000 1.013 1013 F HN 0.205 nan 8.300 nan 0.000 0.486 1014 G N -0.061 108.752 108.800 0.021 0.000 2.422 1014 G HA2 -0.207 3.753 3.960 0.001 0.000 0.218 1014 G HA3 -0.207 3.753 3.960 0.001 0.000 0.218 1014 G C 1.690 176.648 174.900 0.095 0.000 1.146 1014 G CA 1.204 46.164 45.100 -0.234 0.000 0.769 1014 G HN 0.346 nan 8.290 nan 0.000 0.547 1015 V N 0.552 120.623 119.914 0.260 0.000 2.515 1015 V HA -0.137 3.984 4.120 0.001 0.000 0.250 1015 V C 2.969 179.117 176.094 0.090 0.000 1.058 1015 V CA 1.245 63.617 62.300 0.120 0.000 1.064 1015 V CB -0.220 31.481 31.823 -0.202 0.000 0.675 1015 V HN 0.250 nan 8.190 nan 0.000 0.461 1016 V N -0.466 119.488 119.914 0.067 0.000 2.295 1016 V HA -0.239 3.881 4.120 0.001 0.000 0.246 1016 V C 2.408 178.496 176.094 -0.009 0.000 1.049 1016 V CA 1.697 64.032 62.300 0.058 0.000 1.024 1016 V CB -0.590 31.236 31.823 0.004 0.000 0.648 1016 V HN 0.390 nan 8.190 nan 0.000 0.447 1017 L N -0.847 120.275 121.223 -0.170 0.000 2.013 1017 L HA -0.243 4.097 4.340 0.001 0.000 0.212 1017 L C 2.335 179.321 176.870 0.193 0.000 1.073 1017 L CA 2.292 57.100 54.840 -0.052 0.000 0.753 1017 L CB -1.028 40.886 42.059 -0.240 0.000 0.890 1017 L HN 0.470 nan 8.230 nan 0.000 0.432 1018 Y N 0.470 120.809 120.300 0.065 0.000 2.114 1018 Y HA -0.306 4.243 4.550 -0.003 0.000 0.282 1018 Y C 2.485 178.443 175.900 0.097 0.000 1.165 1018 Y CA 2.156 60.326 58.100 0.116 0.000 1.148 1018 Y CB -0.146 38.392 38.460 0.130 0.000 0.972 1018 Y HN 0.329 nan 8.280 nan 0.000 0.504 1019 E N 0.106 120.421 120.200 0.192 0.000 2.058 1019 E HA -0.241 4.109 4.350 0.001 0.000 0.194 1019 E C 2.240 178.826 176.600 -0.024 0.000 0.997 1019 E CA 1.626 58.102 56.400 0.128 0.000 0.801 1019 E CB -0.368 29.470 29.700 0.231 0.000 0.746 1019 E HN 0.511 nan 8.360 nan 0.000 0.450 1020 L N -0.091 121.095 121.223 -0.061 0.000 1.970 1020 L HA -0.198 4.142 4.340 0.001 0.000 0.212 1020 L C 2.256 178.752 176.870 -0.624 0.000 1.071 1020 L CA 1.310 55.971 54.840 -0.299 0.000 0.751 1020 L CB -0.514 41.347 42.059 -0.330 0.000 0.889 1020 L HN 0.106 nan 8.230 nan 0.000 0.432 1021 F N -0.214 119.541 119.950 -0.326 0.000 2.771 1021 F HA -0.092 4.435 4.527 -0.001 0.000 0.299 1021 F C 2.220 177.834 175.800 -0.310 0.000 1.177 1021 F CA 1.124 58.906 58.000 -0.364 0.000 1.450 1021 F CB -0.741 38.115 39.000 -0.241 0.000 1.114 1021 F HN 0.200 nan 8.300 nan 0.000 0.587 1022 T N -5.935 108.500 114.554 -0.198 0.000 3.044 1022 T HA 0.061 4.411 4.350 0.001 0.000 0.260 1022 T C 0.292 175.098 174.700 0.176 0.000 1.019 1022 T CA -0.137 61.932 62.100 -0.051 0.000 0.921 1022 T CB -0.747 67.981 68.868 -0.234 0.000 1.053 1022 T HN 0.232 nan 8.240 nan 0.000 0.533 1023 Y N 0.152 120.421 120.300 -0.051 0.000 3.825 1023 Y HA -0.284 4.265 4.550 -0.002 0.000 0.221 1023 Y C 1.236 177.155 175.900 0.032 0.000 1.195 1023 Y CA -0.066 58.029 58.100 -0.009 0.000 1.699 1023 Y CB -2.921 35.531 38.460 -0.014 0.000 1.531 1023 Y HN 0.528 nan 8.280 nan 0.000 0.640 1024 C N 0.067 119.457 119.300 0.151 0.000 4.365 1024 C HA -0.250 4.210 4.460 0.001 0.000 0.299 1024 C C 0.887 175.973 174.990 0.160 0.000 1.409 1024 C CA 0.346 59.467 59.018 0.173 0.000 2.007 1024 C CB -1.704 26.137 27.740 0.169 0.000 1.264 1024 C HN 0.728 nan 8.230 nan 0.000 0.777 1025 D N -0.057 120.429 120.400 0.144 0.000 2.382 1025 D HA 0.145 4.786 4.640 0.001 0.000 0.245 1025 D C 1.028 177.399 176.300 0.119 0.000 1.120 1025 D CA 0.027 54.094 54.000 0.111 0.000 0.890 1025 D CB 0.887 41.737 40.800 0.085 0.000 1.201 1025 D HN 0.287 nan 8.370 nan 0.000 0.433 1026 K N 0.992 121.450 120.400 0.097 0.000 2.103 1026 K HA -0.114 4.206 4.320 0.001 0.000 0.204 1026 K C 2.087 178.737 176.600 0.083 0.000 1.052 1026 K CA 1.032 57.379 56.287 0.100 0.000 0.945 1026 K CB -0.350 32.197 32.500 0.078 0.000 0.722 1026 K HN 0.436 nan 8.250 nan 0.000 0.443 1027 S N 0.133 115.870 115.700 0.061 0.000 2.383 1027 S HA -0.174 4.297 4.470 0.001 0.000 0.229 1027 S C 1.885 176.513 174.600 0.047 0.000 1.030 1027 S CA 1.150 59.376 58.200 0.043 0.000 1.002 1027 S CB -0.873 62.343 63.200 0.028 0.000 0.829 1027 S HN 0.451 nan 8.310 nan 0.000 0.467 1028 C N 2.491 121.832 119.300 0.070 0.000 2.638 1028 C HA 0.723 5.184 4.460 0.001 0.000 0.282 1028 C C 0.985 176.090 174.990 0.191 0.000 1.473 1028 C CA -1.019 58.056 59.018 0.095 0.000 1.781 1028 C CB -1.952 25.831 27.740 0.072 0.000 2.780 1028 C HN 0.554 nan 8.230 nan 0.000 0.531 1029 S N 0.982 116.783 115.700 0.168 0.000 2.608 1029 S HA 0.408 4.879 4.470 0.001 0.000 0.261 1029 S C -1.445 173.207 174.600 0.087 0.000 1.314 1029 S CA -0.348 57.990 58.200 0.230 0.000 0.992 1029 S CB 0.733 64.093 63.200 0.265 0.000 0.935 1029 S HN 0.198 nan 8.310 nan 0.000 0.564 1030 P HA -0.107 nan 4.420 nan 0.000 0.216 1030 P C 1.567 178.713 177.300 -0.257 0.000 1.157 1030 P CA 1.747 64.638 63.100 -0.349 0.000 0.880 1030 P CB -0.166 31.024 31.700 -0.851 0.000 0.791 1031 S N -0.474 115.159 115.700 -0.112 0.000 2.348 1031 S HA -0.180 4.290 4.470 0.001 0.000 0.221 1031 S C 2.076 176.457 174.600 -0.365 0.000 1.033 1031 S CA 1.472 59.410 58.200 -0.437 0.000 1.010 1031 S CB -1.276 62.005 63.200 0.135 0.000 0.891 1031 S HN 0.157 nan 8.310 nan 0.000 0.442 1032 A N 2.195 124.943 122.820 -0.119 0.000 1.865 1032 A HA -0.181 4.139 4.320 0.001 0.000 0.217 1032 A C 2.127 179.636 177.584 -0.125 0.000 1.191 1032 A CA 1.570 53.561 52.037 -0.077 0.000 0.623 1032 A CB -0.632 18.366 19.000 -0.002 0.000 0.826 1032 A HN 0.376 nan 8.150 nan 0.000 0.444 1033 E N -0.817 119.287 120.200 -0.160 0.000 2.051 1033 E HA -0.161 4.189 4.350 0.001 0.000 0.192 1033 E C 1.855 178.276 176.600 -0.297 0.000 0.991 1033 E CA 1.094 57.358 56.400 -0.226 0.000 0.799 1033 E CB -0.534 28.987 29.700 -0.299 0.000 0.748 1033 E HN 0.738 nan 8.360 nan 0.000 0.449 1034 F N 0.920 120.641 119.950 -0.382 0.000 2.113 1034 F HA -0.110 4.416 4.527 -0.003 0.000 0.297 1034 F C 2.497 178.130 175.800 -0.279 0.000 1.103 1034 F CA 0.630 58.408 58.000 -0.370 0.000 1.248 1034 F CB -0.175 38.490 39.000 -0.558 0.000 0.999 1034 F HN -0.053 nan 8.300 nan 0.000 0.475 1035 L N 0.296 121.417 121.223 -0.171 0.000 2.042 1035 L HA -0.243 4.097 4.340 0.001 0.000 0.210 1035 L C 2.205 179.071 176.870 -0.005 0.000 1.076 1035 L CA 1.639 56.450 54.840 -0.050 0.000 0.749 1035 L CB -0.593 41.429 42.059 -0.062 0.000 0.893 1035 L HN 0.207 nan 8.230 nan 0.000 0.432 1036 R N -0.680 119.796 120.500 -0.040 0.000 2.325 1036 R HA -0.031 4.310 4.340 0.001 0.000 0.214 1036 R C 1.519 177.803 176.300 -0.027 0.000 0.961 1036 R CA 0.529 56.613 56.100 -0.027 0.000 1.086 1036 R CB -0.028 30.249 30.300 -0.038 0.000 1.037 1036 R HN 0.377 nan 8.270 nan 0.000 0.493 1037 M N 0.381 119.974 119.600 -0.011 0.000 2.379 1037 M HA 0.218 4.698 4.480 0.001 0.000 0.268 1037 M C 1.385 177.717 176.300 0.053 0.000 1.185 1037 M CA 0.273 55.571 55.300 -0.004 0.000 1.121 1037 M CB 0.637 33.199 32.600 -0.064 0.000 1.608 1037 M HN 0.341 nan 8.290 nan 0.000 0.569 1038 M N -1.086 118.569 119.600 0.091 0.000 2.382 1038 M HA 0.400 4.880 4.480 0.001 0.000 0.247 1038 M C 0.860 177.202 176.300 0.071 0.000 1.104 1038 M CA 0.056 55.418 55.300 0.102 0.000 1.030 1038 M CB -0.592 32.100 32.600 0.152 0.000 1.424 1038 M HN 0.115 nan 8.290 nan 0.000 0.486 1039 G N 1.351 110.184 108.800 0.054 0.000 2.178 1039 G HA2 0.201 4.162 3.960 0.001 0.000 0.276 1039 G HA3 0.201 4.162 3.960 0.001 0.000 0.276 1039 G C -0.115 174.807 174.900 0.037 0.000 1.038 1039 G CA 0.087 45.212 45.100 0.042 0.000 1.177 1039 G HN 0.614 nan 8.290 nan 0.000 0.396 1040 C N 1.370 120.692 119.300 0.038 0.000 3.539 1040 C HA 0.295 4.755 4.460 0.001 0.000 0.096 1040 C C 2.015 177.021 174.990 0.027 0.000 2.706 1040 C CA 0.739 59.776 59.018 0.031 0.000 0.978 1040 C CB -0.527 27.233 27.740 0.035 0.000 2.002 1040 C HN 0.743 nan 8.230 nan 0.000 0.556 1041 E N 1.377 121.593 120.200 0.027 0.000 2.239 1041 E HA -0.308 4.042 4.350 0.001 0.000 0.240 1041 E C 1.229 177.841 176.600 0.021 0.000 1.079 1041 E CA 3.025 59.439 56.400 0.023 0.000 0.991 1041 E CB -0.346 29.368 29.700 0.024 0.000 0.863 1041 E HN 0.828 nan 8.360 nan 0.000 0.491 1042 R N -1.461 119.053 120.500 0.023 0.000 4.830 1042 R HA -0.027 4.313 4.340 0.001 0.000 0.032 1042 R C -0.759 175.554 176.300 0.022 0.000 0.812 1042 R CA 0.496 56.608 56.100 0.020 0.000 2.328 1042 R CB -0.361 29.948 30.300 0.016 0.000 0.964 1042 R HN 0.144 nan 8.270 nan 0.000 0.476 1043 D N 1.995 122.407 120.400 0.019 0.000 2.607 1043 D HA 0.495 5.135 4.640 0.001 0.000 0.318 1043 D C -1.009 175.301 176.300 0.016 0.000 1.212 1043 D CA -0.504 53.507 54.000 0.018 0.000 0.861 1043 D CB 1.830 42.639 40.800 0.014 0.000 1.064 1043 D HN 0.169 nan 8.370 nan 0.000 0.500 1044 V N 1.066 120.992 119.914 0.020 0.000 2.531 1044 V HA 0.485 4.606 4.120 0.001 0.000 0.301 1044 V C -2.081 174.024 176.094 0.019 0.000 1.034 1044 V CA -1.835 60.475 62.300 0.017 0.000 0.865 1044 V CB 1.884 33.717 31.823 0.017 0.000 0.995 1044 V HN 0.243 nan 8.190 nan 0.000 0.424 1045 P HA 0.056 nan 4.420 nan 0.000 0.263 1045 P C 0.825 178.131 177.300 0.009 0.000 1.175 1045 P CA 0.352 63.456 63.100 0.007 0.000 0.761 1045 P CB 0.694 32.390 31.700 -0.006 0.000 0.794 1046 A N 3.245 126.076 122.820 0.018 0.000 1.892 1046 A HA -0.222 4.099 4.320 0.001 0.000 0.218 1046 A C 1.937 179.506 177.584 -0.024 0.000 1.188 1046 A CA 1.768 53.823 52.037 0.030 0.000 0.631 1046 A CB -1.391 17.643 19.000 0.057 0.000 0.822 1046 A HN 0.589 nan 8.150 nan 0.000 0.447 1047 L N 0.058 121.241 121.223 -0.066 0.000 1.997 1047 L HA -0.253 4.087 4.340 0.001 0.000 0.216 1047 L C 2.543 179.368 176.870 -0.074 0.000 1.074 1047 L CA 2.485 57.265 54.840 -0.100 0.000 0.763 1047 L CB -1.006 40.999 42.059 -0.089 0.000 0.890 1047 L HN 0.511 nan 8.230 nan 0.000 0.434 1048 C N -1.056 118.218 119.300 -0.043 0.000 2.429 1048 C HA -0.118 4.342 4.460 0.001 0.000 0.277 1048 C C 2.835 177.815 174.990 -0.017 0.000 1.262 1048 C CA 0.970 59.969 59.018 -0.031 0.000 1.733 1048 C CB -1.083 26.646 27.740 -0.018 0.000 2.010 1048 C HN 0.577 nan 8.230 nan 0.000 0.483 1049 R N 0.715 121.216 120.500 0.001 0.000 2.148 1049 R HA -0.031 4.310 4.340 0.001 0.000 0.227 1049 R C 1.848 178.164 176.300 0.027 0.000 1.103 1049 R CA 0.965 57.080 56.100 0.024 0.000 0.983 1049 R CB -0.731 29.597 30.300 0.047 0.000 0.874 1049 R HN 0.486 nan 8.270 nan 0.000 0.451 1050 L N -0.042 121.177 121.223 -0.006 0.000 2.044 1050 L HA -0.005 4.336 4.340 0.001 0.000 0.205 1050 L C 1.758 178.585 176.870 -0.071 0.000 1.075 1050 L CA 1.701 56.508 54.840 -0.056 0.000 0.747 1050 L CB -0.595 41.368 42.059 -0.161 0.000 0.903 1050 L HN 0.241 nan 8.230 nan 0.000 0.435 1051 L N -0.457 120.719 121.223 -0.079 0.000 2.079 1051 L HA -0.255 4.085 4.340 0.001 0.000 0.210 1051 L C 2.598 179.455 176.870 -0.022 0.000 1.081 1051 L CA 1.787 56.585 54.840 -0.070 0.000 0.752 1051 L CB -0.606 41.407 42.059 -0.078 0.000 0.896 1051 L HN 0.461 nan 8.230 nan 0.000 0.433 1052 E N 0.373 120.570 120.200 -0.005 0.000 2.077 1052 E HA -0.219 4.131 4.350 0.001 0.000 0.193 1052 E C 2.399 179.024 176.600 0.042 0.000 0.989 1052 E CA 0.963 57.373 56.400 0.016 0.000 0.800 1052 E CB 0.019 29.730 29.700 0.018 0.000 0.746 1052 E HN 0.422 nan 8.360 nan 0.000 0.452 1053 L N 0.476 121.737 121.223 0.063 0.000 2.017 1053 L HA -0.216 4.125 4.340 0.001 0.000 0.208 1053 L C 2.520 179.464 176.870 0.124 0.000 1.073 1053 L CA 0.917 55.823 54.840 0.110 0.000 0.745 1053 L CB -0.355 41.816 42.059 0.187 0.000 0.894 1053 L HN 0.266 nan 8.230 nan 0.000 0.432 1054 L N -0.422 120.867 121.223 0.111 0.000 2.079 1054 L HA -0.249 4.091 4.340 0.001 0.000 0.210 1054 L C 2.551 179.486 176.870 0.109 0.000 1.081 1054 L CA 1.468 56.389 54.840 0.136 0.000 0.752 1054 L CB -0.568 41.547 42.059 0.094 0.000 0.896 1054 L HN 0.383 nan 8.230 nan 0.000 0.433 1055 E N 0.722 120.960 120.200 0.063 0.000 2.204 1055 E HA -0.217 4.134 4.350 0.001 0.000 0.194 1055 E C 1.521 178.155 176.600 0.057 0.000 0.989 1055 E CA 0.945 57.376 56.400 0.051 0.000 0.824 1055 E CB 0.146 29.861 29.700 0.025 0.000 0.756 1055 E HN 0.515 nan 8.360 nan 0.000 0.477 1056 E N -1.013 119.223 120.200 0.061 0.000 2.494 1056 E HA 0.065 4.415 4.350 0.001 0.000 0.193 1056 E C 0.835 177.472 176.600 0.062 0.000 1.074 1056 E CA 0.301 56.733 56.400 0.055 0.000 0.867 1056 E CB 0.424 30.154 29.700 0.050 0.000 0.924 1056 E HN 0.475 nan 8.360 nan 0.000 0.502 1057 G N 1.136 109.984 108.800 0.081 0.000 2.176 1057 G HA2 -0.257 3.703 3.960 0.001 0.000 0.253 1057 G HA3 -0.257 3.703 3.960 0.001 0.000 0.253 1057 G C 0.224 175.177 174.900 0.087 0.000 0.979 1057 G CA -0.315 44.836 45.100 0.085 0.000 0.641 1057 G HN 0.151 nan 8.290 nan 0.000 0.530 1058 Q N 0.651 120.509 119.800 0.096 0.000 2.289 1058 Q HA 0.438 4.778 4.340 0.001 0.000 0.273 1058 Q C 0.675 176.734 176.000 0.098 0.000 1.029 1058 Q CA 0.552 56.407 55.803 0.086 0.000 0.896 1058 Q CB 0.772 29.577 28.738 0.113 0.000 1.182 1058 Q HN 0.477 nan 8.270 nan 0.000 0.385 1059 R N 1.737 122.225 120.500 -0.020 0.000 2.855 1059 R HA 0.492 4.833 4.340 0.001 0.000 0.266 1059 R C -0.180 175.891 176.300 -0.382 0.000 1.034 1059 R CA -1.129 54.882 56.100 -0.148 0.000 0.944 1059 R CB 0.888 31.195 30.300 0.012 0.000 1.219 1059 R HN 0.516 nan 8.270 nan 0.000 0.474 1060 L N 3.695 124.524 121.223 -0.658 0.000 2.483 1060 L HA 0.126 4.466 4.340 0.001 0.000 0.276 1060 L C -1.398 175.429 176.870 -0.073 0.000 1.213 1060 L CA -0.925 53.541 54.840 -0.624 0.000 0.843 1060 L CB 0.141 41.644 42.059 -0.927 0.000 1.107 1060 L HN 0.304 nan 8.230 nan 0.000 0.487 1061 P HA 0.117 nan 4.420 nan 0.000 0.286 1061 P C -1.230 175.943 177.300 -0.212 0.000 1.293 1061 P CA -0.618 62.456 63.100 -0.043 0.000 0.770 1061 P CB 0.645 32.302 31.700 -0.072 0.000 1.206 1062 A N 1.138 123.628 122.820 -0.549 0.000 2.343 1062 A HA 0.415 4.736 4.320 0.001 0.000 0.305 1062 A C -1.886 175.527 177.584 -0.286 0.000 1.308 1062 A CA -1.526 50.056 52.037 -0.758 0.000 0.949 1062 A CB -1.109 17.502 19.000 -0.648 0.000 1.148 1062 A HN 0.382 nan 8.150 nan 0.000 0.545 1063 P HA 0.065 nan 4.420 nan 0.000 0.264 1063 P C -2.644 174.592 177.300 -0.106 0.000 1.179 1063 P CA -0.619 62.362 63.100 -0.199 0.000 0.763 1063 P CB -0.448 31.054 31.700 -0.330 0.000 0.806 1064 P HA -0.053 nan 4.420 nan 0.000 0.263 1064 P C 0.565 177.871 177.300 0.009 0.000 1.175 1064 P CA 1.417 64.503 63.100 -0.024 0.000 0.761 1064 P CB -0.209 31.485 31.700 -0.009 0.000 0.794 1065 A N 1.607 124.431 122.820 0.006 0.000 2.816 1065 A HA -0.242 4.079 4.320 0.001 0.000 0.270 1065 A C 0.684 178.300 177.584 0.053 0.000 1.413 1065 A CA 0.851 52.907 52.037 0.032 0.000 0.866 1065 A CB -2.175 16.859 19.000 0.056 0.000 1.032 1065 A HN 0.686 nan 8.150 nan 0.000 0.642 1066 C N 1.917 121.221 119.300 0.006 0.000 2.394 1066 C HA 0.606 5.067 4.460 0.001 0.000 0.362 1066 C C -1.472 173.467 174.990 -0.085 0.000 1.268 1066 C CA -1.817 57.186 59.018 -0.026 0.000 1.828 1066 C CB -0.070 27.600 27.740 -0.116 0.000 2.442 1066 C HN 0.613 nan 8.230 nan 0.000 0.549 1067 P HA 0.073 nan 4.420 nan 0.000 0.262 1067 P C 0.617 177.848 177.300 -0.115 0.000 1.182 1067 P CA 0.717 63.763 63.100 -0.090 0.000 0.761 1067 P CB 0.521 32.172 31.700 -0.081 0.000 0.795 1068 A N 4.846 127.628 122.820 -0.063 0.000 1.881 1068 A HA -0.306 4.014 4.320 0.001 0.000 0.219 1068 A C 2.007 179.554 177.584 -0.061 0.000 1.215 1068 A CA 2.406 54.419 52.037 -0.039 0.000 0.648 1068 A CB -1.289 17.695 19.000 -0.027 0.000 0.832 1068 A HN 0.600 nan 8.150 nan 0.000 0.455 1069 E N -0.467 119.684 120.200 -0.081 0.000 2.130 1069 E HA -0.145 4.205 4.350 0.001 0.000 0.196 1069 E C 1.840 178.349 176.600 -0.151 0.000 0.998 1069 E CA 1.342 57.683 56.400 -0.099 0.000 0.806 1069 E CB -0.546 29.108 29.700 -0.078 0.000 0.738 1069 E HN 0.397 nan 8.360 nan 0.000 0.459 1070 V N 0.682 120.465 119.914 -0.218 0.000 2.343 1070 V HA -0.286 3.834 4.120 0.001 0.000 0.247 1070 V C 2.323 178.248 176.094 -0.282 0.000 1.051 1070 V CA 2.095 64.185 62.300 -0.351 0.000 1.036 1070 V CB -0.571 30.808 31.823 -0.739 0.000 0.654 1070 V HN 0.472 nan 8.190 nan 0.000 0.451 1071 H N -0.446 118.443 119.070 -0.303 0.000 2.457 1071 H HA -0.104 4.452 4.556 -0.000 0.000 0.294 1071 H C 2.312 177.499 175.328 -0.235 0.000 1.064 1071 H CA 1.122 57.027 56.048 -0.238 0.000 1.330 1071 H CB 0.464 30.142 29.762 -0.140 0.000 1.395 1071 H HN 0.404 nan 8.280 nan 0.000 0.541 1072 E N 0.879 120.920 120.200 -0.265 0.000 2.072 1072 E HA -0.111 4.239 4.350 0.001 0.000 0.191 1072 E C 2.613 179.023 176.600 -0.317 0.000 0.985 1072 E CA 0.315 56.543 56.400 -0.286 0.000 0.801 1072 E CB -0.149 29.450 29.700 -0.168 0.000 0.750 1072 E HN 0.531 nan 8.360 nan 0.000 0.452 1073 L N 0.137 121.191 121.223 -0.281 0.000 2.083 1073 L HA -0.151 4.190 4.340 0.001 0.000 0.209 1073 L C 2.682 179.290 176.870 -0.437 0.000 1.083 1073 L CA 0.885 55.561 54.840 -0.273 0.000 0.752 1073 L CB -0.385 41.562 42.059 -0.186 0.000 0.899 1073 L HN 0.168 nan 8.230 nan 0.000 0.433 1074 M N -0.328 118.924 119.600 -0.580 0.000 2.065 1074 M HA -0.253 4.228 4.480 0.001 0.000 0.259 1074 M C 2.369 177.798 176.300 -1.451 0.000 1.071 1074 M CA 1.903 56.580 55.300 -1.038 0.000 1.109 1074 M CB -0.241 31.829 32.600 -0.883 0.000 1.313 1074 M HN 0.107 nan 8.290 nan 0.000 0.408 1075 K N 0.221 120.054 120.400 -0.945 0.000 2.152 1075 K HA -0.143 4.177 4.320 0.001 0.000 0.206 1075 K C 1.830 178.192 176.600 -0.397 0.000 1.048 1075 K CA 1.162 57.122 56.287 -0.545 0.000 0.933 1075 K CB -0.394 31.888 32.500 -0.364 0.000 0.721 1075 K HN 0.420 nan 8.250 nan 0.000 0.447 1076 L N 0.420 121.404 121.223 -0.398 0.000 2.046 1076 L HA -0.217 4.123 4.340 0.001 0.000 0.208 1076 L C 2.577 179.290 176.870 -0.263 0.000 1.077 1076 L CA 0.935 55.621 54.840 -0.257 0.000 0.747 1076 L CB -0.622 41.310 42.059 -0.212 0.000 0.896 1076 L HN 0.244 nan 8.230 nan 0.000 0.432 1077 C N -1.139 117.892 119.300 -0.448 0.000 2.419 1077 C HA -0.143 4.317 4.460 0.001 0.000 0.283 1077 C C 1.746 176.565 174.990 -0.285 0.000 1.373 1077 C CA -0.094 58.692 59.018 -0.386 0.000 1.781 1077 C CB -1.084 26.348 27.740 -0.512 0.000 1.886 1077 C HN 0.636 nan 8.230 nan 0.000 0.520 1078 W N 1.244 122.294 121.300 -0.416 0.000 3.269 1078 W HA 0.534 5.195 4.660 0.003 0.000 0.413 1078 W C 0.807 177.252 176.519 -0.124 0.000 1.057 1078 W CA -1.412 55.493 57.345 -0.732 0.000 1.953 1078 W CB -1.294 27.576 29.460 -0.983 0.000 1.053 1078 W HN 0.214 nan 8.180 nan 0.000 0.753 1079 A N 3.215 126.146 122.820 0.186 0.000 2.524 1079 A HA 0.122 4.442 4.320 0.001 0.000 0.250 1079 A C -0.387 177.395 177.584 0.331 0.000 1.078 1079 A CA -0.580 51.576 52.037 0.197 0.000 0.761 1079 A CB 0.270 19.334 19.000 0.107 0.000 1.012 1079 A HN -0.002 nan 8.150 nan 0.000 0.500 1080 P HA -0.136 nan 4.420 nan 0.000 0.216 1080 P C 0.775 178.168 177.300 0.155 0.000 1.154 1080 P CA 1.444 64.687 63.100 0.238 0.000 0.865 1080 P CB 0.085 31.875 31.700 0.149 0.000 0.789 1081 S N 0.517 116.290 115.700 0.121 0.000 2.475 1081 S HA 0.269 4.739 4.470 0.001 0.000 0.281 1081 S C -1.280 173.375 174.600 0.093 0.000 1.198 1081 S CA -1.955 56.292 58.200 0.080 0.000 1.063 1081 S CB 0.605 63.837 63.200 0.053 0.000 0.972 1081 S HN -0.057 nan 8.310 nan 0.000 0.486 1082 P HA -0.219 nan 4.420 nan 0.000 0.218 1082 P C 0.921 178.258 177.300 0.062 0.000 1.146 1082 P CA 1.246 64.395 63.100 0.081 0.000 0.813 1082 P CB -0.047 31.683 31.700 0.049 0.000 0.778 1083 Q N -1.116 118.711 119.800 0.045 0.000 2.435 1083 Q HA -0.029 4.311 4.340 0.001 0.000 0.207 1083 Q C 1.113 177.128 176.000 0.026 0.000 0.956 1083 Q CA 0.735 56.556 55.803 0.031 0.000 0.917 1083 Q CB -0.511 28.241 28.738 0.024 0.000 0.997 1083 Q HN 0.143 nan 8.270 nan 0.000 0.497 1084 D N 0.896 121.318 120.400 0.036 0.000 2.354 1084 D HA 0.068 4.709 4.640 0.001 0.000 0.209 1084 D C 0.016 176.324 176.300 0.013 0.000 1.015 1084 D CA 0.154 54.169 54.000 0.025 0.000 0.867 1084 D CB 0.319 41.140 40.800 0.036 0.000 0.933 1084 D HN 0.236 nan 8.370 nan 0.000 0.520 1085 R N 1.704 122.219 120.500 0.026 0.000 2.582 1085 R HA 0.248 4.588 4.340 0.001 0.000 0.271 1085 R C -2.043 174.223 176.300 -0.057 0.000 1.078 1085 R CA -1.024 55.072 56.100 -0.006 0.000 1.127 1085 R CB 0.203 30.528 30.300 0.041 0.000 1.038 1085 R HN 0.021 nan 8.270 nan 0.000 0.500 1086 P HA 0.047 nan 4.420 nan 0.000 0.276 1086 P C -0.776 176.408 177.300 -0.193 0.000 1.244 1086 P CA -0.492 62.535 63.100 -0.122 0.000 0.801 1086 P CB 1.230 32.856 31.700 -0.124 0.000 1.006 1087 S N 0.534 116.148 115.700 -0.142 0.000 2.603 1087 S HA 0.205 4.676 4.470 0.001 0.000 0.268 1087 S C 1.062 175.540 174.600 -0.203 0.000 1.317 1087 S CA -0.391 57.719 58.200 -0.151 0.000 1.012 1087 S CB -0.029 63.153 63.200 -0.030 0.000 0.926 1087 S HN 0.246 nan 8.310 nan 0.000 0.539 1088 F N 1.443 121.346 119.950 -0.079 0.000 2.171 1088 F HA -0.084 4.442 4.527 -0.002 0.000 0.300 1088 F C 3.001 178.737 175.800 -0.108 0.000 1.090 1088 F CA 1.546 59.454 58.000 -0.153 0.000 1.293 1088 F CB -0.833 38.065 39.000 -0.169 0.000 1.013 1088 F HN 0.772 nan 8.300 nan 0.000 0.486 1089 S N -0.238 115.530 115.700 0.113 0.000 2.423 1089 S HA -0.092 4.378 4.470 0.001 0.000 0.231 1089 S C 2.093 176.707 174.600 0.024 0.000 1.014 1089 S CA 0.743 58.981 58.200 0.063 0.000 0.965 1089 S CB -0.738 62.499 63.200 0.061 0.000 0.785 1089 S HN 0.252 nan 8.310 nan 0.000 0.495 1090 A N 1.247 124.066 122.820 -0.002 0.000 2.021 1090 A HA 0.416 4.736 4.320 0.001 0.000 0.216 1090 A C 2.172 179.740 177.584 -0.027 0.000 1.163 1090 A CA 0.409 52.435 52.037 -0.017 0.000 0.676 1090 A CB -0.506 18.475 19.000 -0.032 0.000 0.818 1090 A HN 0.496 nan 8.150 nan 0.000 0.453 1091 L N -0.744 120.452 121.223 -0.045 0.000 2.072 1091 L HA -0.034 4.306 4.340 0.001 0.000 0.205 1091 L C 2.823 179.695 176.870 0.004 0.000 1.079 1091 L CA 0.886 55.705 54.840 -0.036 0.000 0.752 1091 L CB -0.794 41.212 42.059 -0.089 0.000 0.906 1091 L HN 0.474 nan 8.230 nan 0.000 0.436 1092 G N 1.340 110.140 108.800 0.000 0.000 2.628 1092 G HA2 -0.262 3.698 3.960 0.001 0.000 0.217 1092 G HA3 -0.262 3.698 3.960 0.001 0.000 0.217 1092 G C -0.569 174.337 174.900 0.010 0.000 1.240 1092 G CA 1.158 46.258 45.100 -0.001 0.000 0.792 1092 G HN 0.304 nan 8.290 nan 0.000 0.593 1093 P HA -0.116 nan 4.420 nan 0.000 0.219 1093 P C 1.534 178.855 177.300 0.034 0.000 1.146 1093 P CA 1.478 64.593 63.100 0.026 0.000 0.808 1093 P CB 0.055 31.768 31.700 0.022 0.000 0.779 1094 Q N -0.029 119.785 119.800 0.024 0.000 2.119 1094 Q HA -0.042 4.298 4.340 0.001 0.000 0.201 1094 Q C 2.297 178.323 176.000 0.043 0.000 0.972 1094 Q CA 1.298 57.114 55.803 0.022 0.000 0.847 1094 Q CB -1.051 27.688 28.738 0.002 0.000 0.903 1094 Q HN 0.229 nan 8.270 nan 0.000 0.433 1095 L N -0.190 121.069 121.223 0.060 0.000 2.072 1095 L HA -0.125 4.215 4.340 0.001 0.000 0.205 1095 L C 1.638 178.588 176.870 0.134 0.000 1.079 1095 L CA 1.069 55.965 54.840 0.093 0.000 0.752 1095 L CB -0.351 41.770 42.059 0.104 0.000 0.906 1095 L HN 0.133 nan 8.230 nan 0.000 0.436 1096 D N -0.191 120.274 120.400 0.110 0.000 2.182 1096 D HA -0.194 4.446 4.640 0.001 0.000 0.201 1096 D C 2.286 178.726 176.300 0.234 0.000 0.986 1096 D CA 1.258 55.367 54.000 0.181 0.000 0.847 1096 D CB -0.037 40.828 40.800 0.109 0.000 0.942 1096 D HN 0.233 nan 8.370 nan 0.000 0.467 1097 M N -0.401 119.280 119.600 0.134 0.000 2.077 1097 M HA -0.087 4.393 4.480 0.001 0.000 0.261 1097 M C 2.081 178.433 176.300 0.086 0.000 1.070 1097 M CA 1.060 56.415 55.300 0.091 0.000 1.125 1097 M CB -0.186 32.443 32.600 0.048 0.000 1.339 1097 M HN 0.037 nan 8.290 nan 0.000 0.409 1098 L N -1.473 119.806 121.223 0.092 0.000 2.127 1098 L HA -0.250 4.091 4.340 0.001 0.000 0.211 1098 L C 2.323 179.267 176.870 0.124 0.000 1.089 1098 L CA 1.341 56.228 54.840 0.079 0.000 0.757 1098 L CB -0.705 41.396 42.059 0.070 0.000 0.899 1098 L HN 0.507 nan 8.230 nan 0.000 0.434 1099 W N 0.800 122.101 121.300 0.002 0.000 2.378 1099 W HA -0.160 4.500 4.660 0.001 0.000 0.313 1099 W C 2.582 179.098 176.519 -0.007 0.000 1.197 1099 W CA 1.583 58.927 57.345 -0.002 0.000 1.304 1099 W CB -0.324 29.130 29.460 -0.009 0.000 1.148 1099 W HN -0.101 nan 8.180 nan 0.000 0.494 1100 S N 0.147 115.787 115.700 -0.099 0.000 2.547 1100 S HA -0.012 4.458 4.470 0.001 0.000 0.235 1100 S C 1.743 176.211 174.600 -0.219 0.000 0.980 1100 S CA 1.029 59.039 58.200 -0.316 0.000 0.941 1100 S CB -0.617 62.542 63.200 -0.069 0.000 0.763 1100 S HN 0.483 nan 8.310 nan 0.000 0.532 1101 G N 0.367 109.089 108.800 -0.129 0.000 2.744 1101 G HA2 0.032 3.993 3.960 0.001 0.000 0.211 1101 G HA3 0.032 3.993 3.960 0.001 0.000 0.211 1101 G C 1.039 175.874 174.900 -0.108 0.000 1.146 1101 G CA -0.010 45.036 45.100 -0.089 0.000 0.787 1101 G HN 0.490 nan 8.290 nan 0.000 0.534 1102 S N -0.031 115.576 115.700 -0.154 0.000 2.577 1102 S HA 0.513 4.984 4.470 0.001 0.000 0.219 1102 S C 0.956 175.429 174.600 -0.212 0.000 0.962 1102 S CA 0.744 58.861 58.200 -0.138 0.000 0.921 1102 S CB -0.029 63.121 63.200 -0.084 0.000 0.789 1102 S HN 1.046 nan 8.310 nan 0.000 0.497 1103 R N 0.000 120.326 120.500 -0.290 0.000 2.786 1103 R HA 0.000 4.340 4.340 0.001 0.000 0.208 1103 R CA 0.000 55.910 56.100 -0.316 0.000 0.921 1103 R CB 0.000 30.187 30.300 -0.189 0.000 0.687 1103 R HN 0.000 nan 8.270 nan 0.000 0.535