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 1dyk_1_A DATA FIRST_RESID 2744 DATA SEQUENCE HGPcVAESEP ALLTGSKQFG LSRNSHIAIA FDDTKVKNRL TIELEVRTEA DATA SEQUENCE ESGLLFYMAR INHADFATVQ LRNGFPYFSY DLGSGDTSTM IPTKINDGQW DATA SEQUENCE HKIKIVRVKQ EGILYVDDAS SQTISPKKAD ILDVVGILYV GGLPINYTTR DATA SEQUENCE RIGPVTYSLD GcVRNLHMEQ APVDLDQPTS SFHVGTcFAN AESGTYFDGT DATA SEQUENCE GFAKAVGGFK VGLDLLVEFE FRTTRPTGVL LGVSSQKMDG MGIEMIDEKL DATA SEQUENCE MFHVDNGAGR FTAIYDAEIP GHMcNGQWHK VTAKKIKNRL ELVVDGNQVD DATA SEQUENCE AQSPNSASTS ADTNDPVFVG GFPGGLNQFG LTTNIRFRGc IRSLKLTKGT DATA SEQUENCE GKPLEVNFAK ALELRGVQPV ScPT 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 2744 H HA 0.000 nan 4.556 nan 0.000 0.296 2744 H C 0.000 175.329 175.328 0.002 0.000 0.993 2744 H CA 0.000 56.047 56.048 -0.001 0.000 1.023 2744 H CB 0.000 29.756 29.762 -0.009 0.000 1.292 2745 G N 2.276 111.106 108.800 0.050 0.000 2.765 2745 G HA2 0.072 4.033 3.960 0.001 0.000 0.218 2745 G HA3 0.072 4.033 3.960 0.001 0.000 0.218 2745 G C -0.566 174.354 174.900 0.034 0.000 1.271 2745 G CA 0.109 45.219 45.100 0.017 0.000 0.865 2745 G HN 0.466 nan 8.290 nan 0.000 0.604 2746 P HA 0.220 nan 4.420 nan 0.000 0.249 2746 P C 0.128 177.459 177.300 0.052 0.000 1.229 2746 P CA -0.115 63.011 63.100 0.042 0.000 0.788 2746 P CB -0.072 31.654 31.700 0.043 0.000 1.072 2747 c N 0.606 119.244 118.600 0.063 0.000 2.689 2747 c HA 0.199 4.770 4.570 0.001 0.000 0.409 2747 c C 1.383 175.500 174.090 0.045 0.000 1.293 2747 c CA -0.757 55.608 56.329 0.061 0.000 2.136 2747 c CB 0.431 42.988 42.510 0.078 0.000 2.719 2747 c HN 0.096 nan 8.230 nan 0.000 0.644 2748 V N 2.800 122.729 119.914 0.025 0.000 3.096 2748 V HA 0.409 4.530 4.120 0.001 0.000 0.306 2748 V C 0.928 177.025 176.094 0.006 0.000 1.088 2748 V CA 0.073 62.379 62.300 0.010 0.000 1.129 2748 V CB 0.989 32.806 31.823 -0.010 0.000 1.014 2748 V HN 1.153 nan 8.190 nan 0.000 0.486 2749 A N 4.696 127.518 122.820 0.003 0.000 2.565 2749 A HA 0.201 4.522 4.320 0.001 0.000 0.237 2749 A C 0.224 177.796 177.584 -0.020 0.000 1.053 2749 A CA 0.422 52.461 52.037 0.003 0.000 0.755 2749 A CB -0.097 18.902 19.000 -0.001 0.000 0.980 2749 A HN 0.941 nan 8.150 nan 0.000 0.506 2750 E N 0.847 121.037 120.200 -0.017 0.000 2.221 2750 E HA 0.667 5.018 4.350 0.001 0.000 0.268 2750 E C -0.567 176.009 176.600 -0.039 0.000 0.933 2750 E CA -0.262 56.106 56.400 -0.054 0.000 0.809 2750 E CB 1.348 30.985 29.700 -0.105 0.000 1.190 2750 E HN 0.877 nan 8.360 nan 0.000 0.406 2751 S N 1.881 117.548 115.700 -0.055 0.000 2.565 2751 S HA 0.303 4.774 4.470 0.001 0.000 0.269 2751 S C -1.115 173.455 174.600 -0.051 0.000 1.153 2751 S CA -1.117 57.058 58.200 -0.042 0.000 0.835 2751 S CB 1.367 64.543 63.200 -0.039 0.000 1.122 2751 S HN 0.505 nan 8.310 nan 0.000 0.462 2752 E N 2.831 123.012 120.200 -0.032 0.000 2.223 2752 E HA 0.448 4.799 4.350 0.001 0.000 0.282 2752 E C -2.111 174.463 176.600 -0.042 0.000 1.046 2752 E CA -1.660 54.726 56.400 -0.023 0.000 0.857 2752 E CB 0.376 30.078 29.700 0.003 0.000 1.055 2752 E HN 0.509 nan 8.360 nan 0.000 0.409 2753 P HA 0.048 nan 4.420 nan 0.000 0.261 2753 P C -1.043 176.272 177.300 0.025 0.000 1.183 2753 P CA -0.150 62.871 63.100 -0.130 0.000 0.761 2753 P CB 0.781 32.240 31.700 -0.401 0.000 0.785 2754 A N 4.700 127.539 122.820 0.031 0.000 2.409 2754 A HA 0.406 4.727 4.320 0.001 0.000 0.262 2754 A C 0.381 178.046 177.584 0.134 0.000 1.113 2754 A CA -0.568 51.509 52.037 0.066 0.000 0.790 2754 A CB -0.039 18.983 19.000 0.037 0.000 1.046 2754 A HN 0.589 nan 8.150 nan 0.000 0.496 2755 L N 1.536 122.817 121.223 0.097 0.000 2.399 2755 L HA 0.394 4.735 4.340 0.001 0.000 0.265 2755 L C -0.303 176.591 176.870 0.041 0.000 1.089 2755 L CA -0.891 53.987 54.840 0.063 0.000 0.802 2755 L CB 1.230 43.288 42.059 -0.002 0.000 1.180 2755 L HN 0.631 nan 8.230 nan 0.000 0.454 2756 L N 1.397 122.638 121.223 0.031 0.000 2.272 2756 L HA 0.280 4.620 4.340 0.001 0.000 0.284 2756 L C 0.031 176.900 176.870 -0.001 0.000 1.045 2756 L CA 0.133 54.994 54.840 0.035 0.000 0.842 2756 L CB 0.887 43.002 42.059 0.093 0.000 1.224 2756 L HN 0.516 nan 8.230 nan 0.000 0.430 2757 T N 4.074 118.621 114.554 -0.012 0.000 2.908 2757 T HA 0.357 4.708 4.350 0.001 0.000 0.301 2757 T C 1.219 175.899 174.700 -0.033 0.000 1.019 2757 T CA 0.845 62.930 62.100 -0.026 0.000 1.152 2757 T CB 0.463 69.317 68.868 -0.024 0.000 0.966 2757 T HN 1.015 nan 8.240 nan 0.000 0.540 2758 G N 2.620 111.397 108.800 -0.037 0.000 2.205 2758 G HA2 -0.297 3.664 3.960 0.001 0.000 0.261 2758 G HA3 -0.297 3.664 3.960 0.001 0.000 0.261 2758 G C 0.385 175.265 174.900 -0.034 0.000 0.980 2758 G CA 0.227 45.304 45.100 -0.039 0.000 0.632 2758 G HN 1.253 nan 8.290 nan 0.000 0.533 2759 S N 0.170 115.856 115.700 -0.022 0.000 2.586 2759 S HA 0.744 5.215 4.470 0.001 0.000 0.274 2759 S C -0.244 174.328 174.600 -0.047 0.000 1.281 2759 S CA -0.415 57.796 58.200 0.018 0.000 1.035 2759 S CB 2.074 65.331 63.200 0.095 0.000 0.962 2759 S HN 0.273 nan 8.310 nan 0.000 0.512 2760 K N 2.119 122.484 120.400 -0.059 0.000 2.376 2760 K HA 0.359 4.679 4.320 0.001 0.000 0.257 2760 K C -0.834 175.523 176.600 -0.405 0.000 0.939 2760 K CA -0.511 55.602 56.287 -0.290 0.000 0.809 2760 K CB 1.684 33.960 32.500 -0.372 0.000 1.121 2760 K HN 0.791 nan 8.250 nan 0.000 0.425 2761 Q N 3.112 122.646 119.800 -0.442 0.000 2.331 2761 Q HA 0.405 4.746 4.340 0.001 0.000 0.257 2761 Q C -1.322 174.438 176.000 -0.401 0.000 0.957 2761 Q CA -0.019 55.598 55.803 -0.310 0.000 0.923 2761 Q CB 0.339 28.935 28.738 -0.237 0.000 1.212 2761 Q HN 0.404 nan 8.270 nan 0.000 0.443 2762 F N 1.278 121.256 119.950 0.046 0.000 2.525 2762 F HA 0.647 5.175 4.527 0.001 0.000 0.346 2762 F C 1.632 177.480 175.800 0.080 0.000 1.072 2762 F CA -0.149 57.898 58.000 0.078 0.000 1.033 2762 F CB 1.637 40.700 39.000 0.104 0.000 1.324 2762 F HN 0.690 nan 8.300 nan 0.000 0.491 2763 G N 0.009 109.009 108.800 0.334 0.000 2.179 2763 G HA2 -0.274 3.687 3.960 0.001 0.000 0.260 2763 G HA3 -0.274 3.687 3.960 0.001 0.000 0.260 2763 G C 0.868 175.870 174.900 0.170 0.000 0.977 2763 G CA 0.433 45.667 45.100 0.223 0.000 0.641 2763 G HN 0.540 nan 8.290 nan 0.000 0.533 2764 L N 0.060 121.378 121.223 0.157 0.000 2.131 2764 L HA 0.171 4.512 4.340 0.001 0.000 0.210 2764 L C 1.633 178.595 176.870 0.154 0.000 1.092 2764 L CA 1.602 56.517 54.840 0.125 0.000 0.759 2764 L CB -0.290 41.822 42.059 0.088 0.000 0.903 2764 L HN 0.467 nan 8.230 nan 0.000 0.435 2765 S N -1.555 114.250 115.700 0.175 0.000 2.595 2765 S HA 0.300 4.771 4.470 0.001 0.000 0.281 2765 S C 0.659 175.356 174.600 0.162 0.000 1.117 2765 S CA -0.865 57.418 58.200 0.138 0.000 0.873 2765 S CB 2.060 65.288 63.200 0.045 0.000 1.108 2765 S HN 0.142 nan 8.310 nan 0.000 0.477 2766 R N 1.661 122.235 120.500 0.123 0.000 2.200 2766 R HA 0.046 4.387 4.340 0.001 0.000 0.234 2766 R C 0.325 176.717 176.300 0.153 0.000 1.127 2766 R CA 1.494 57.669 56.100 0.126 0.000 0.989 2766 R CB -0.226 30.115 30.300 0.068 0.000 0.869 2766 R HN 0.636 nan 8.270 nan 0.000 0.459 2767 N N 0.322 119.130 118.700 0.181 0.000 2.275 2767 N HA 0.053 4.793 4.740 0.001 0.000 0.236 2767 N C -0.857 174.930 175.510 0.462 0.000 1.154 2767 N CA -0.023 53.150 53.050 0.205 0.000 0.866 2767 N CB 1.148 39.661 38.487 0.043 0.000 1.093 2767 N HN -0.021 nan 8.380 nan 0.000 0.515 2768 S N 2.021 117.980 115.700 0.432 0.000 2.525 2768 S HA 0.029 4.500 4.470 0.001 0.000 0.285 2768 S C 0.082 175.035 174.600 0.588 0.000 1.283 2768 S CA 0.175 58.680 58.200 0.507 0.000 1.072 2768 S CB 0.032 63.485 63.200 0.422 0.000 0.867 2768 S HN 0.472 nan 8.310 nan 0.000 0.492 2769 H N 0.583 119.956 119.070 0.506 0.000 2.950 2769 H HA 0.548 5.105 4.556 0.001 0.000 0.307 2769 H C -1.786 173.832 175.328 0.482 0.000 1.403 2769 H CA -0.996 55.307 56.048 0.424 0.000 1.145 2769 H CB 0.432 30.321 29.762 0.213 0.000 1.844 2769 H HN 0.479 nan 8.280 nan 0.000 0.515 2770 I N 0.838 121.694 120.570 0.476 0.000 2.730 2770 I HA 0.614 4.785 4.170 0.001 0.000 0.298 2770 I C -0.606 175.739 176.117 0.379 0.000 1.089 2770 I CA -0.904 60.598 61.300 0.337 0.000 1.041 2770 I CB 2.020 40.238 38.000 0.363 0.000 1.235 2770 I HN 0.819 nan 8.210 nan 0.000 0.423 2771 A N 7.186 130.161 122.820 0.258 0.000 2.356 2771 A HA 0.862 5.182 4.320 0.001 0.000 0.310 2771 A C -1.043 176.558 177.584 0.028 0.000 1.075 2771 A CA -0.396 51.699 52.037 0.096 0.000 0.746 2771 A CB 1.002 20.082 19.000 0.134 0.000 1.221 2771 A HN 0.599 nan 8.150 nan 0.000 0.443 2772 I N 2.159 122.716 120.570 -0.022 0.000 2.447 2772 I HA 0.506 4.677 4.170 0.001 0.000 0.287 2772 I C 0.556 176.716 176.117 0.071 0.000 1.023 2772 I CA -0.534 60.786 61.300 0.034 0.000 1.083 2772 I CB 1.985 40.014 38.000 0.049 0.000 1.245 2772 I HN 0.730 nan 8.210 nan 0.000 0.434 2773 A N 6.820 129.662 122.820 0.037 0.000 2.388 2773 A HA 0.784 5.104 4.320 0.001 0.000 0.257 2773 A C -0.682 176.965 177.584 0.105 0.000 1.095 2773 A CA 0.110 52.141 52.037 -0.010 0.000 0.791 2773 A CB 0.190 19.163 19.000 -0.045 0.000 1.029 2773 A HN 0.675 nan 8.150 nan 0.000 0.489 2774 F N -0.546 119.374 119.950 -0.051 0.000 2.686 2774 F HA 0.565 5.092 4.527 0.001 0.000 0.311 2774 F C -0.833 174.948 175.800 -0.032 0.000 1.128 2774 F CA -1.526 56.449 58.000 -0.042 0.000 0.946 2774 F CB 1.096 40.063 39.000 -0.054 0.000 1.336 2774 F HN 0.394 nan 8.300 nan 0.000 0.457 2775 D N 2.355 122.836 120.400 0.134 0.000 2.344 2775 D HA 0.067 4.708 4.640 0.001 0.000 0.253 2775 D C 1.058 177.416 176.300 0.097 0.000 1.255 2775 D CA 0.223 54.243 54.000 0.033 0.000 0.894 2775 D CB 0.506 41.343 40.800 0.062 0.000 1.067 2775 D HN 0.664 nan 8.370 nan 0.000 0.492 2776 D N 1.569 121.895 120.400 -0.122 0.000 2.221 2776 D HA -0.237 4.403 4.640 0.001 0.000 0.204 2776 D C 1.385 177.733 176.300 0.079 0.000 0.982 2776 D CA 1.313 55.299 54.000 -0.023 0.000 0.857 2776 D CB -0.422 40.290 40.800 -0.147 0.000 0.934 2776 D HN 0.505 nan 8.370 nan 0.000 0.475 2777 T N -0.762 113.818 114.554 0.044 0.000 2.915 2777 T HA -0.117 4.234 4.350 0.001 0.000 0.269 2777 T C 1.823 176.559 174.700 0.060 0.000 1.071 2777 T CA 0.835 62.960 62.100 0.042 0.000 1.132 2777 T CB -0.246 68.635 68.868 0.022 0.000 0.878 2777 T HN 0.169 nan 8.240 nan 0.000 0.479 2778 K N 1.029 121.480 120.400 0.086 0.000 2.288 2778 K HA 0.114 4.435 4.320 0.001 0.000 0.201 2778 K C 2.299 178.937 176.600 0.063 0.000 1.048 2778 K CA 1.099 57.427 56.287 0.069 0.000 0.956 2778 K CB -0.075 32.470 32.500 0.074 0.000 0.746 2778 K HN 0.502 nan 8.250 nan 0.000 0.461 2779 V N -0.881 119.094 119.914 0.101 0.000 3.590 2779 V HA -0.020 4.101 4.120 0.001 0.000 0.265 2779 V C 1.643 177.771 176.094 0.056 0.000 1.239 2779 V CA 0.283 62.623 62.300 0.066 0.000 1.117 2779 V CB -0.214 31.660 31.823 0.084 0.000 0.818 2779 V HN 0.150 nan 8.190 nan 0.000 0.451 2780 K N 1.275 121.712 120.400 0.061 0.000 2.160 2780 K HA -0.188 4.133 4.320 0.001 0.000 0.206 2780 K C 1.686 178.306 176.600 0.033 0.000 1.047 2780 K CA 2.095 58.411 56.287 0.048 0.000 0.930 2780 K CB -0.612 31.912 32.500 0.040 0.000 0.720 2780 K HN 0.539 nan 8.250 nan 0.000 0.450 2781 N N 0.365 119.080 118.700 0.025 0.000 2.436 2781 N HA 0.046 4.787 4.740 0.001 0.000 0.178 2781 N C 0.216 175.731 175.510 0.008 0.000 1.026 2781 N CA 0.433 53.493 53.050 0.017 0.000 0.880 2781 N CB 0.448 38.943 38.487 0.013 0.000 1.061 2781 N HN 0.117 nan 8.380 nan 0.000 0.434 2782 R N 0.276 120.776 120.500 0.001 0.000 2.686 2782 R HA 0.529 4.870 4.340 0.001 0.000 0.286 2782 R C -1.419 174.865 176.300 -0.028 0.000 0.969 2782 R CA -0.702 55.390 56.100 -0.013 0.000 0.898 2782 R CB 2.420 32.712 30.300 -0.014 0.000 1.183 2782 R HN -0.062 nan 8.270 nan 0.000 0.456 2783 L N 0.805 122.002 121.223 -0.043 0.000 2.438 2783 L HA 0.522 4.863 4.340 0.001 0.000 0.270 2783 L C -1.424 175.391 176.870 -0.092 0.000 0.972 2783 L CA 0.113 54.909 54.840 -0.074 0.000 0.831 2783 L CB 2.580 44.610 42.059 -0.048 0.000 1.273 2783 L HN 0.607 nan 8.230 nan 0.000 0.405 2784 T N 6.469 120.947 114.554 -0.127 0.000 3.050 2784 T HA 0.634 4.984 4.350 0.001 0.000 0.310 2784 T C -0.595 174.007 174.700 -0.164 0.000 0.978 2784 T CA -0.147 61.879 62.100 -0.122 0.000 1.013 2784 T CB 0.596 69.411 68.868 -0.089 0.000 1.000 2784 T HN 0.413 nan 8.240 nan 0.000 0.447 2785 I N 3.245 123.705 120.570 -0.184 0.000 2.608 2785 I HA 0.541 4.712 4.170 0.001 0.000 0.295 2785 I C -0.295 175.762 176.117 -0.099 0.000 1.049 2785 I CA -0.956 60.213 61.300 -0.218 0.000 1.063 2785 I CB 2.418 40.132 38.000 -0.477 0.000 1.248 2785 I HN 0.662 nan 8.210 nan 0.000 0.424 2786 E N 6.465 126.635 120.200 -0.050 0.000 2.340 2786 E HA 0.810 5.160 4.350 0.001 0.000 0.273 2786 E C -1.609 175.013 176.600 0.038 0.000 0.891 2786 E CA -0.904 55.509 56.400 0.022 0.000 0.757 2786 E CB 2.785 32.506 29.700 0.035 0.000 1.231 2786 E HN 0.435 nan 8.360 nan 0.000 0.439 2787 L N -2.224 119.047 121.223 0.079 0.000 2.775 2787 L HA 0.616 4.957 4.340 0.001 0.000 0.263 2787 L C -1.266 175.688 176.870 0.140 0.000 1.017 2787 L CA -0.933 53.958 54.840 0.085 0.000 0.891 2787 L CB 1.828 43.954 42.059 0.111 0.000 1.482 2787 L HN 0.580 nan 8.230 nan 0.000 0.410 2788 E N 0.375 120.672 120.200 0.163 0.000 2.195 2788 E HA 0.742 5.093 4.350 0.001 0.000 0.271 2788 E C -1.495 175.384 176.600 0.465 0.000 0.923 2788 E CA -1.009 55.553 56.400 0.269 0.000 0.790 2788 E CB 3.073 32.842 29.700 0.115 0.000 1.155 2788 E HN 0.544 nan 8.360 nan 0.000 0.402 2789 V N 2.931 123.151 119.914 0.510 0.000 2.925 2789 V HA 0.575 4.696 4.120 0.001 0.000 0.311 2789 V C -1.378 174.792 176.094 0.127 0.000 1.104 2789 V CA -0.629 61.887 62.300 0.360 0.000 0.954 2789 V CB 2.069 34.035 31.823 0.239 0.000 1.022 2789 V HN 0.617 nan 8.190 nan 0.000 0.427 2790 R N 3.301 123.659 120.500 -0.237 0.000 2.538 2790 R HA 0.703 5.044 4.340 0.001 0.000 0.292 2790 R C -1.407 174.747 176.300 -0.244 0.000 1.008 2790 R CA -0.032 55.752 56.100 -0.528 0.000 0.896 2790 R CB 1.952 31.372 30.300 -1.466 0.000 1.187 2790 R HN 0.920 nan 8.270 nan 0.000 0.440 2791 T N 1.285 115.766 114.554 -0.123 0.000 2.827 2791 T HA 0.252 4.603 4.350 0.001 0.000 0.328 2791 T C -0.771 173.914 174.700 -0.025 0.000 1.598 2791 T CA -0.412 61.660 62.100 -0.047 0.000 1.043 2791 T CB 1.588 70.462 68.868 0.009 0.000 1.447 2791 T HN 0.704 nan 8.240 nan 0.000 0.491 2792 E N 0.485 120.678 120.200 -0.011 0.000 2.601 2792 E HA 0.388 4.739 4.350 0.001 0.000 0.219 2792 E C 0.387 176.986 176.600 -0.002 0.000 0.964 2792 E CA -0.385 56.009 56.400 -0.010 0.000 1.050 2792 E CB 1.173 30.867 29.700 -0.010 0.000 1.068 2792 E HN 0.694 nan 8.360 nan 0.000 0.496 2793 A N 1.312 124.141 122.820 0.015 0.000 2.351 2793 A HA 0.108 4.429 4.320 0.001 0.000 0.257 2793 A C 1.082 178.674 177.584 0.014 0.000 1.087 2793 A CA -0.208 51.847 52.037 0.031 0.000 0.798 2793 A CB 0.577 19.616 19.000 0.065 0.000 1.033 2793 A HN -0.023 nan 8.150 nan 0.000 0.488 2794 E N 0.287 120.499 120.200 0.020 0.000 2.158 2794 E HA 0.056 4.407 4.350 0.001 0.000 0.191 2794 E C 0.014 176.628 176.600 0.024 0.000 0.982 2794 E CA 0.964 57.362 56.400 -0.002 0.000 0.823 2794 E CB 0.211 29.910 29.700 -0.001 0.000 0.766 2794 E HN 0.529 nan 8.360 nan 0.000 0.468 2795 S N -1.649 114.102 115.700 0.084 0.000 2.579 2795 S HA 0.735 5.206 4.470 0.001 0.000 0.272 2795 S C -0.483 174.170 174.600 0.088 0.000 1.141 2795 S CA -0.246 58.004 58.200 0.083 0.000 0.843 2795 S CB 2.490 65.767 63.200 0.129 0.000 1.122 2795 S HN 0.250 nan 8.310 nan 0.000 0.468 2796 G N 0.667 109.417 108.800 -0.083 0.000 2.384 2796 G HA2 0.406 4.367 3.960 0.001 0.000 0.300 2796 G HA3 0.406 4.367 3.960 0.001 0.000 0.300 2796 G C -2.207 172.587 174.900 -0.176 0.000 1.582 2796 G CA -0.889 44.124 45.100 -0.145 0.000 0.875 2796 G HN 0.651 nan 8.290 nan 0.000 0.628 2797 L N 1.453 122.546 121.223 -0.216 0.000 2.319 2797 L HA 0.583 4.924 4.340 0.001 0.000 0.280 2797 L C 0.918 177.726 176.870 -0.103 0.000 1.099 2797 L CA -0.390 54.350 54.840 -0.167 0.000 0.828 2797 L CB 0.788 42.732 42.059 -0.192 0.000 1.150 2797 L HN 0.599 nan 8.230 nan 0.000 0.442 2798 L N 4.774 125.956 121.223 -0.069 0.000 2.200 2798 L HA 0.254 4.595 4.340 0.001 0.000 0.200 2798 L C -0.260 176.673 176.870 0.106 0.000 1.072 2798 L CA 0.212 55.047 54.840 -0.008 0.000 0.787 2798 L CB 0.091 42.170 42.059 0.033 0.000 0.957 2798 L HN 0.700 nan 8.230 nan 0.000 0.459 2799 F N -2.416 117.580 119.950 0.078 0.000 2.693 2799 F HA 0.590 5.118 4.527 0.001 0.000 0.309 2799 F C -1.398 174.568 175.800 0.277 0.000 1.129 2799 F CA -1.627 56.451 58.000 0.130 0.000 0.948 2799 F CB 0.980 40.032 39.000 0.086 0.000 1.315 2799 F HN -0.152 nan 8.300 nan 0.000 0.447 2800 Y N 3.512 124.131 120.300 0.531 0.000 2.552 2800 Y HA 0.739 5.290 4.550 0.001 0.000 0.337 2800 Y C -1.534 174.686 175.900 0.533 0.000 1.094 2800 Y CA -1.332 57.042 58.100 0.457 0.000 1.028 2800 Y CB 2.184 40.802 38.460 0.263 0.000 1.321 2800 Y HN 1.009 nan 8.280 nan 0.000 0.456 2801 M N 3.810 123.351 119.600 -0.099 0.000 2.413 2801 M HA 0.988 5.469 4.480 0.001 0.000 0.287 2801 M C -2.002 174.185 176.300 -0.187 0.000 1.186 2801 M CA -0.624 54.709 55.300 0.055 0.000 0.927 2801 M CB 2.340 35.088 32.600 0.246 0.000 1.715 2801 M HN 0.929 nan 8.290 nan 0.000 0.478 2802 A N 1.723 124.562 122.820 0.031 0.000 2.610 2802 A HA 0.855 5.175 4.320 0.001 0.000 0.291 2802 A C -1.125 176.495 177.584 0.060 0.000 1.086 2802 A CA -1.189 50.897 52.037 0.081 0.000 0.677 2802 A CB 1.624 20.757 19.000 0.222 0.000 1.278 2802 A HN 1.089 nan 8.150 nan 0.000 0.414 2803 R N 0.404 120.923 120.500 0.031 0.000 2.652 2803 R HA 0.582 4.923 4.340 0.001 0.000 0.271 2803 R C 0.821 177.046 176.300 -0.125 0.000 1.129 2803 R CA -0.226 55.864 56.100 -0.017 0.000 1.200 2803 R CB 0.207 30.514 30.300 0.012 0.000 1.146 2803 R HN 0.628 nan 8.270 nan 0.000 0.581 2804 I N 0.721 121.238 120.570 -0.088 0.000 2.143 2804 I HA -0.394 3.777 4.170 0.001 0.000 0.245 2804 I C 1.220 177.230 176.117 -0.178 0.000 1.068 2804 I CA 2.294 63.530 61.300 -0.106 0.000 1.326 2804 I CB -0.178 37.795 38.000 -0.045 0.000 1.028 2804 I HN 0.851 nan 8.210 nan 0.000 0.412 2805 N N -1.218 117.417 118.700 -0.109 0.000 2.235 2805 N HA -0.078 4.663 4.740 0.001 0.000 0.209 2805 N C 0.271 175.828 175.510 0.078 0.000 1.122 2805 N CA 0.051 53.087 53.050 -0.023 0.000 0.845 2805 N CB -0.355 38.147 38.487 0.025 0.000 1.004 2805 N HN 0.477 nan 8.380 nan 0.000 0.499 2806 H N -1.365 117.762 119.070 0.095 0.000 2.958 2806 H HA -0.174 4.383 4.556 0.001 0.000 0.274 2806 H C 1.209 176.655 175.328 0.197 0.000 1.184 2806 H CA 0.812 56.956 56.048 0.160 0.000 1.143 2806 H CB -1.644 28.182 29.762 0.106 0.000 1.297 2806 H HN 0.531 nan 8.280 nan 0.000 0.356 2807 A N 0.046 122.989 122.820 0.205 0.000 1.930 2807 A HA -0.066 4.255 4.320 0.001 0.000 0.217 2807 A C 0.881 178.590 177.584 0.208 0.000 1.175 2807 A CA 1.602 53.744 52.037 0.175 0.000 0.627 2807 A CB 0.232 19.291 19.000 0.098 0.000 0.815 2807 A HN 0.302 nan 8.150 nan 0.000 0.443 2808 D N -2.152 118.366 120.400 0.196 0.000 2.269 2808 D HA 0.650 5.290 4.640 0.001 0.000 0.244 2808 D C -0.504 175.962 176.300 0.277 0.000 0.992 2808 D CA 0.014 54.102 54.000 0.146 0.000 0.894 2808 D CB 1.546 42.393 40.800 0.079 0.000 1.248 2808 D HN 0.325 nan 8.370 nan 0.000 0.468 2809 F N -1.049 118.949 119.950 0.081 0.000 2.842 2809 F HA 0.770 5.298 4.527 0.001 0.000 0.319 2809 F C -2.147 173.711 175.800 0.096 0.000 1.159 2809 F CA -1.271 56.741 58.000 0.021 0.000 0.902 2809 F CB 0.822 39.837 39.000 0.025 0.000 1.311 2809 F HN 0.399 nan 8.300 nan 0.000 0.453 2810 A N 1.164 124.155 122.820 0.286 0.000 2.459 2810 A HA 0.890 5.211 4.320 0.001 0.000 0.296 2810 A C -1.174 176.700 177.584 0.483 0.000 1.039 2810 A CA -0.286 51.980 52.037 0.383 0.000 0.698 2810 A CB 1.500 20.750 19.000 0.415 0.000 1.261 2810 A HN 1.294 nan 8.150 nan 0.000 0.405 2811 T N -0.485 114.319 114.554 0.417 0.000 2.853 2811 T HA 0.691 5.041 4.350 0.001 0.000 0.311 2811 T C -1.202 173.393 174.700 -0.175 0.000 1.307 2811 T CA -0.701 61.433 62.100 0.056 0.000 1.019 2811 T CB 1.681 70.736 68.868 0.312 0.000 1.264 2811 T HN 0.967 nan 8.240 nan 0.000 0.497 2812 V N 1.519 121.084 119.914 -0.582 0.000 2.623 2812 V HA 0.573 4.694 4.120 0.001 0.000 0.304 2812 V C -0.962 175.045 176.094 -0.146 0.000 1.054 2812 V CA -0.632 61.493 62.300 -0.292 0.000 0.882 2812 V CB 1.842 33.415 31.823 -0.418 0.000 1.002 2812 V HN 0.925 nan 8.190 nan 0.000 0.424 2813 Q N 2.906 122.716 119.800 0.017 0.000 2.495 2813 Q HA 0.692 5.033 4.340 0.001 0.000 0.287 2813 Q C -1.575 174.482 176.000 0.095 0.000 1.078 2813 Q CA -0.976 54.829 55.803 0.003 0.000 0.793 2813 Q CB 3.232 31.943 28.738 -0.046 0.000 1.459 2813 Q HN 0.566 nan 8.270 nan 0.000 0.422 2814 L N 1.302 122.555 121.223 0.050 0.000 2.287 2814 L HA 0.498 4.839 4.340 0.001 0.000 0.287 2814 L C -1.306 175.612 176.870 0.081 0.000 1.022 2814 L CA 0.092 54.992 54.840 0.099 0.000 0.814 2814 L CB 0.878 42.967 42.059 0.049 0.000 1.217 2814 L HN 0.479 nan 8.230 nan 0.000 0.420 2815 R N 4.766 125.382 120.500 0.193 0.000 2.451 2815 R HA 0.404 4.745 4.340 0.001 0.000 0.307 2815 R C -0.422 175.980 176.300 0.169 0.000 0.965 2815 R CA -0.783 55.386 56.100 0.115 0.000 0.865 2815 R CB 1.066 31.322 30.300 -0.074 0.000 1.174 2815 R HN 0.680 nan 8.270 nan 0.000 0.455 2816 N N 1.768 120.492 118.700 0.041 0.000 2.727 2816 N HA -0.221 4.520 4.740 0.001 0.000 0.249 2816 N C 0.749 176.040 175.510 -0.365 0.000 1.048 2816 N CA 1.611 54.621 53.050 -0.066 0.000 0.714 2816 N CB -0.945 37.566 38.487 0.041 0.000 0.959 2816 N HN 1.164 nan 8.380 nan 0.000 0.544 2817 G N -2.117 106.521 108.800 -0.270 0.000 2.176 2817 G HA2 -0.326 3.635 3.960 0.001 0.000 0.253 2817 G HA3 -0.326 3.635 3.960 0.001 0.000 0.253 2817 G C -0.013 174.656 174.900 -0.385 0.000 0.979 2817 G CA 0.406 45.276 45.100 -0.384 0.000 0.641 2817 G HN 0.439 nan 8.290 nan 0.000 0.530 2818 F N 2.234 122.233 119.950 0.082 0.000 2.450 2818 F HA 0.573 5.101 4.527 0.001 0.000 0.332 2818 F C -1.824 174.021 175.800 0.075 0.000 1.093 2818 F CA -2.601 55.420 58.000 0.034 0.000 1.003 2818 F CB 2.327 41.326 39.000 -0.002 0.000 1.151 2818 F HN -0.164 nan 8.300 nan 0.000 0.474 2819 P HA 0.181 nan 4.420 nan 0.000 0.286 2819 P C -1.624 175.694 177.300 0.030 0.000 1.269 2819 P CA -0.211 62.967 63.100 0.129 0.000 0.787 2819 P CB 0.794 32.538 31.700 0.074 0.000 0.920 2820 Y N 2.462 122.827 120.300 0.110 0.000 2.361 2820 Y HA 0.427 4.978 4.550 0.001 0.000 0.337 2820 Y C -0.142 175.870 175.900 0.188 0.000 0.965 2820 Y CA -0.894 57.281 58.100 0.124 0.000 1.091 2820 Y CB 1.785 40.297 38.460 0.086 0.000 1.182 2820 Y HN 0.261 nan 8.280 nan 0.000 0.450 2821 F N 3.143 123.190 119.950 0.161 0.000 2.427 2821 F HA 0.738 5.266 4.527 0.001 0.000 0.346 2821 F C -0.702 175.236 175.800 0.229 0.000 1.120 2821 F CA -0.989 57.096 58.000 0.142 0.000 1.033 2821 F CB 1.090 40.160 39.000 0.116 0.000 1.126 2821 F HN 0.323 nan 8.300 nan 0.000 0.462 2822 S N 5.923 121.652 115.700 0.049 0.000 2.548 2822 S HA 0.785 5.256 4.470 0.001 0.000 0.286 2822 S C -1.650 172.911 174.600 -0.066 0.000 1.098 2822 S CA -0.572 57.604 58.200 -0.040 0.000 0.930 2822 S CB 1.936 65.277 63.200 0.235 0.000 1.070 2822 S HN 0.675 nan 8.310 nan 0.000 0.480 2823 Y N -0.815 119.153 120.300 -0.553 0.000 2.641 2823 Y HA 0.794 5.345 4.550 0.001 0.000 0.333 2823 Y C -1.899 173.478 175.900 -0.873 0.000 1.174 2823 Y CA -1.007 56.614 58.100 -0.797 0.000 1.057 2823 Y CB 1.293 39.451 38.460 -0.503 0.000 1.322 2823 Y HN 0.506 nan 8.280 nan 0.000 0.457 2824 D N 1.715 121.573 120.400 -0.902 0.000 2.990 2824 D HA 0.372 5.013 4.640 0.001 0.000 0.227 2824 D C -0.840 175.324 176.300 -0.226 0.000 1.249 2824 D CA -0.493 53.179 54.000 -0.546 0.000 0.891 2824 D CB 2.357 42.874 40.800 -0.471 0.000 1.647 2824 D HN 0.804 nan 8.370 nan 0.000 0.530 2825 L N 2.328 123.492 121.223 -0.098 0.000 2.728 2825 L HA 0.424 4.765 4.340 0.001 0.000 0.238 2825 L C 1.481 178.349 176.870 -0.004 0.000 1.143 2825 L CA 0.278 55.111 54.840 -0.011 0.000 0.937 2825 L CB 0.551 42.631 42.059 0.034 0.000 1.225 2825 L HN 0.724 nan 8.230 nan 0.000 0.507 2826 G N -0.645 108.148 108.800 -0.013 0.000 2.229 2826 G HA2 -0.225 3.735 3.960 0.001 0.000 0.189 2826 G HA3 -0.225 3.735 3.960 0.001 0.000 0.189 2826 G C 0.678 175.579 174.900 0.000 0.000 1.000 2826 G CA 0.249 45.355 45.100 0.009 0.000 0.663 2826 G HN 0.247 nan 8.290 nan 0.000 0.493 2827 S N 0.153 115.841 115.700 -0.020 0.000 2.629 2827 S HA 0.604 5.075 4.470 0.001 0.000 0.236 2827 S C 0.785 175.363 174.600 -0.036 0.000 1.010 2827 S CA 0.869 59.056 58.200 -0.022 0.000 0.981 2827 S CB 1.399 64.585 63.200 -0.024 0.000 0.919 2827 S HN 2.154 nan 8.310 nan 0.000 0.514 2828 G N 2.440 111.212 108.800 -0.047 0.000 2.375 2828 G HA2 0.149 4.110 3.960 0.001 0.000 0.663 2828 G HA3 0.149 4.110 3.960 0.001 0.000 0.663 2828 G C -1.952 172.872 174.900 -0.127 0.000 1.391 2828 G CA -0.808 44.258 45.100 -0.056 0.000 0.949 2828 G HN 0.193 nan 8.290 nan 0.000 0.646 2829 D N -0.916 119.417 120.400 -0.111 0.000 2.387 2829 D HA 0.792 5.433 4.640 0.001 0.000 0.255 2829 D C -0.049 176.094 176.300 -0.261 0.000 1.081 2829 D CA -0.190 53.680 54.000 -0.217 0.000 0.994 2829 D CB 2.196 42.992 40.800 -0.007 0.000 1.127 2829 D HN 0.722 nan 8.370 nan 0.000 0.513 2830 T N -1.591 112.712 114.554 -0.419 0.000 2.821 2830 T HA 0.549 4.900 4.350 0.001 0.000 0.306 2830 T C -1.771 172.736 174.700 -0.322 0.000 1.313 2830 T CA -0.562 61.325 62.100 -0.356 0.000 1.012 2830 T CB 1.153 69.759 68.868 -0.436 0.000 1.298 2830 T HN 0.681 nan 8.240 nan 0.000 0.502 2831 S N 1.042 116.652 115.700 -0.150 0.000 2.536 2831 S HA 0.775 5.246 4.470 0.001 0.000 0.271 2831 S C -0.894 173.723 174.600 0.028 0.000 1.134 2831 S CA -0.820 57.360 58.200 -0.034 0.000 0.897 2831 S CB 1.646 64.907 63.200 0.102 0.000 1.094 2831 S HN 0.878 nan 8.310 nan 0.000 0.473 2832 T N 1.559 116.158 114.554 0.075 0.000 2.912 2832 T HA 0.838 5.189 4.350 0.001 0.000 0.288 2832 T C -0.220 174.469 174.700 -0.018 0.000 1.030 2832 T CA -0.862 61.269 62.100 0.053 0.000 1.020 2832 T CB 1.260 70.198 68.868 0.117 0.000 1.056 2832 T HN 1.062 nan 8.240 nan 0.000 0.480 2833 M N 0.159 119.656 119.600 -0.171 0.000 2.578 2833 M HA 0.729 5.209 4.480 0.001 0.000 0.276 2833 M C -2.038 174.086 176.300 -0.293 0.000 1.245 2833 M CA -0.952 54.101 55.300 -0.413 0.000 0.871 2833 M CB 1.637 33.674 32.600 -0.939 0.000 1.722 2833 M HN 0.461 nan 8.290 nan 0.000 0.473 2834 I N 2.637 123.042 120.570 -0.275 0.000 2.410 2834 I HA 0.401 4.572 4.170 0.001 0.000 0.286 2834 I C -1.965 173.999 176.117 -0.256 0.000 1.009 2834 I CA -1.724 59.461 61.300 -0.192 0.000 1.111 2834 I CB 2.404 40.351 38.000 -0.087 0.000 1.262 2834 I HN 0.605 nan 8.210 nan 0.000 0.443 2835 P HA 0.025 nan 4.420 nan 0.000 0.262 2835 P C -0.465 176.743 177.300 -0.153 0.000 1.647 2835 P CA 0.197 62.913 63.100 -0.640 0.000 0.865 2835 P CB -0.478 30.931 31.700 -0.484 0.000 1.834 2836 T N 0.591 115.240 114.554 0.157 0.000 2.840 2836 T HA 0.220 4.571 4.350 0.001 0.000 0.287 2836 T C 0.049 174.933 174.700 0.306 0.000 0.991 2836 T CA -0.699 61.543 62.100 0.238 0.000 0.964 2836 T CB 1.425 70.340 68.868 0.078 0.000 0.954 2836 T HN 0.016 nan 8.240 nan 0.000 0.438 2837 K N 2.952 123.465 120.400 0.188 0.000 2.416 2837 K HA 0.199 4.519 4.320 0.001 0.000 0.283 2837 K C 1.055 177.583 176.600 -0.120 0.000 1.037 2837 K CA 0.006 56.235 56.287 -0.097 0.000 0.995 2837 K CB 0.481 32.870 32.500 -0.185 0.000 0.938 2837 K HN 0.668 nan 8.250 nan 0.000 0.475 2838 I N -0.160 120.300 120.570 -0.183 0.000 3.974 2838 I HA 0.048 4.219 4.170 0.001 0.000 0.334 2838 I C 0.239 176.301 176.117 -0.092 0.000 1.437 2838 I CA -0.559 60.525 61.300 -0.360 0.000 1.113 2838 I CB 0.057 37.761 38.000 -0.494 0.000 1.063 2838 I HN 0.301 nan 8.210 nan 0.000 0.400 2839 N N 1.570 120.234 118.700 -0.061 0.000 3.209 2839 N HA 0.014 4.755 4.740 0.001 0.000 0.309 2839 N C -0.091 175.421 175.510 0.003 0.000 1.384 2839 N CA -0.304 52.736 53.050 -0.017 0.000 1.173 2839 N CB -0.242 38.214 38.487 -0.051 0.000 1.460 2839 N HN 0.481 nan 8.380 nan 0.000 0.534 2840 D N -1.943 118.493 120.400 0.061 0.000 2.402 2840 D HA 0.186 4.827 4.640 0.001 0.000 0.216 2840 D C 1.173 177.483 176.300 0.017 0.000 1.128 2840 D CA -0.143 53.887 54.000 0.050 0.000 0.833 2840 D CB -0.260 40.596 40.800 0.093 0.000 0.971 2840 D HN 0.324 nan 8.370 nan 0.000 0.503 2841 G N -0.055 108.735 108.800 -0.017 0.000 2.184 2841 G HA2 -0.284 3.677 3.960 0.001 0.000 0.264 2841 G HA3 -0.284 3.677 3.960 0.001 0.000 0.264 2841 G C 0.161 174.956 174.900 -0.176 0.000 0.975 2841 G CA 0.135 45.179 45.100 -0.093 0.000 0.642 2841 G HN 0.382 nan 8.290 nan 0.000 0.536 2842 Q N -1.064 118.649 119.800 -0.145 0.000 2.205 2842 Q HA 0.538 4.879 4.340 0.001 0.000 0.249 2842 Q C 0.041 175.795 176.000 -0.410 0.000 0.948 2842 Q CA -0.800 54.858 55.803 -0.240 0.000 0.895 2842 Q CB 0.786 29.415 28.738 -0.182 0.000 1.249 2842 Q HN 0.397 nan 8.270 nan 0.000 0.458 2843 W N 1.450 122.594 121.300 -0.260 0.000 2.190 2843 W HA 0.154 4.814 4.660 0.001 0.000 0.330 2843 W C 0.464 176.720 176.519 -0.439 0.000 1.299 2843 W CA 0.254 57.471 57.345 -0.214 0.000 1.215 2843 W CB 0.625 30.028 29.460 -0.094 0.000 1.147 2843 W HN 0.301 nan 8.180 nan 0.000 0.563 2844 H N 1.700 120.970 119.070 0.333 0.000 2.771 2844 H HA 0.200 4.756 4.556 0.001 0.000 0.361 2844 H C -0.898 174.554 175.328 0.207 0.000 1.108 2844 H CA -1.277 54.898 56.048 0.211 0.000 1.201 2844 H CB 2.082 31.930 29.762 0.143 0.000 1.681 2844 H HN 0.109 nan 8.280 nan 0.000 0.534 2845 K N 3.156 123.720 120.400 0.273 0.000 2.248 2845 K HA 0.391 4.711 4.320 0.001 0.000 0.281 2845 K C -0.845 175.862 176.600 0.179 0.000 1.054 2845 K CA -0.207 56.194 56.287 0.189 0.000 0.903 2845 K CB 0.103 32.677 32.500 0.124 0.000 1.077 2845 K HN 0.483 nan 8.250 nan 0.000 0.474 2846 I N 4.247 124.916 120.570 0.165 0.000 2.433 2846 I HA 0.393 4.564 4.170 0.001 0.000 0.292 2846 I C -0.376 175.814 176.117 0.121 0.000 1.001 2846 I CA -0.915 60.474 61.300 0.148 0.000 1.119 2846 I CB 1.864 39.957 38.000 0.156 0.000 1.289 2846 I HN 0.530 nan 8.210 nan 0.000 0.438 2847 K N 7.031 127.504 120.400 0.121 0.000 2.535 2847 K HA 0.582 4.903 4.320 0.001 0.000 0.251 2847 K C -1.747 174.902 176.600 0.081 0.000 0.942 2847 K CA -0.615 55.722 56.287 0.084 0.000 0.798 2847 K CB 2.549 35.074 32.500 0.041 0.000 1.267 2847 K HN 0.582 nan 8.250 nan 0.000 0.434 2848 I N 0.559 121.091 120.570 -0.064 0.000 2.465 2848 I HA 0.530 4.701 4.170 0.001 0.000 0.291 2848 I C -1.149 174.866 176.117 -0.170 0.000 1.014 2848 I CA -0.815 60.309 61.300 -0.293 0.000 1.093 2848 I CB 2.041 39.500 38.000 -0.902 0.000 1.267 2848 I HN 0.116 nan 8.210 nan 0.000 0.431 2849 V N 5.817 125.691 119.914 -0.067 0.000 2.443 2849 V HA 0.633 4.754 4.120 0.001 0.000 0.293 2849 V C -0.214 175.885 176.094 0.008 0.000 1.021 2849 V CA -0.477 61.828 62.300 0.007 0.000 0.848 2849 V CB 1.382 33.282 31.823 0.129 0.000 0.998 2849 V HN 0.783 nan 8.190 nan 0.000 0.424 2850 R N 3.672 124.160 120.500 -0.020 0.000 2.480 2850 R HA 0.740 5.081 4.340 0.001 0.000 0.306 2850 R C -1.907 174.378 176.300 -0.026 0.000 0.958 2850 R CA -0.467 55.613 56.100 -0.034 0.000 0.861 2850 R CB 2.001 32.252 30.300 -0.082 0.000 1.171 2850 R HN 0.482 nan 8.270 nan 0.000 0.445 2851 V N 6.372 126.280 119.914 -0.010 0.000 2.419 2851 V HA 0.268 4.389 4.120 0.001 0.000 0.287 2851 V C 0.340 176.443 176.094 0.015 0.000 1.017 2851 V CA -0.693 61.609 62.300 0.004 0.000 0.844 2851 V CB 1.457 33.289 31.823 0.015 0.000 1.011 2851 V HN 0.916 nan 8.190 nan 0.000 0.429 2852 K N 2.602 123.012 120.400 0.016 0.000 1.699 2852 K HA -0.360 3.960 4.320 0.001 0.000 0.127 2852 K C 1.221 177.858 176.600 0.061 0.000 1.157 2852 K CA 2.227 58.534 56.287 0.033 0.000 0.341 2852 K CB -0.607 31.911 32.500 0.030 0.000 0.645 2852 K HN 0.732 nan 8.250 nan 0.000 0.848 2853 Q N 1.192 121.038 119.800 0.077 0.000 2.451 2853 Q HA 0.031 4.372 4.340 0.001 0.000 0.206 2853 Q C 0.296 176.401 176.000 0.174 0.000 0.947 2853 Q CA 0.261 56.142 55.803 0.130 0.000 0.937 2853 Q CB 0.267 29.052 28.738 0.077 0.000 1.025 2853 Q HN 0.249 nan 8.270 nan 0.000 0.511 2854 E N 0.368 120.631 120.200 0.106 0.000 2.283 2854 E HA 0.369 4.720 4.350 0.001 0.000 0.278 2854 E C -0.839 175.808 176.600 0.078 0.000 1.027 2854 E CA -0.341 56.122 56.400 0.105 0.000 0.843 2854 E CB 0.898 30.636 29.700 0.064 0.000 1.062 2854 E HN 0.170 nan 8.360 nan 0.000 0.401 2855 G N 4.520 113.408 108.800 0.147 0.000 2.707 2855 G HA2 0.546 4.507 3.960 0.001 0.000 0.299 2855 G HA3 0.546 4.507 3.960 0.001 0.000 0.299 2855 G C -0.976 174.067 174.900 0.239 0.000 1.442 2855 G CA -0.541 44.658 45.100 0.166 0.000 1.009 2855 G HN 0.498 nan 8.290 nan 0.000 0.515 2856 I N 1.868 122.545 120.570 0.177 0.000 2.509 2856 I HA 0.429 4.600 4.170 0.001 0.000 0.293 2856 I C -0.973 175.092 176.117 -0.086 0.000 1.020 2856 I CA -1.062 60.234 61.300 -0.006 0.000 1.088 2856 I CB 2.369 40.277 38.000 -0.153 0.000 1.267 2856 I HN 0.339 nan 8.210 nan 0.000 0.430 2857 L N 7.132 128.273 121.223 -0.136 0.000 2.305 2857 L HA 0.521 4.862 4.340 0.001 0.000 0.284 2857 L C -1.644 175.077 176.870 -0.248 0.000 1.013 2857 L CA -0.109 54.660 54.840 -0.117 0.000 0.819 2857 L CB 0.783 42.873 42.059 0.053 0.000 1.227 2857 L HN 0.316 nan 8.230 nan 0.000 0.417 2858 Y N 4.233 124.525 120.300 -0.014 0.000 2.335 2858 Y HA 0.665 5.215 4.550 0.001 0.000 0.338 2858 Y C -0.312 175.600 175.900 0.020 0.000 0.977 2858 Y CA -0.775 57.328 58.100 0.004 0.000 1.114 2858 Y CB 2.057 40.516 38.460 -0.001 0.000 1.182 2858 Y HN 0.301 nan 8.280 nan 0.000 0.463 2859 V N 4.562 124.575 119.914 0.164 0.000 2.419 2859 V HA 0.260 4.380 4.120 0.001 0.000 0.287 2859 V C -0.297 175.879 176.094 0.138 0.000 1.017 2859 V CA -0.870 61.505 62.300 0.126 0.000 0.844 2859 V CB 0.819 32.681 31.823 0.065 0.000 1.011 2859 V HN 0.966 nan 8.190 nan 0.000 0.429 2860 D N 3.185 123.682 120.400 0.162 0.000 3.996 2860 D HA -0.240 4.401 4.640 0.001 0.000 0.140 2860 D C 0.715 177.093 176.300 0.130 0.000 0.829 2860 D CA 1.962 56.054 54.000 0.155 0.000 1.111 2860 D CB -0.336 40.574 40.800 0.183 0.000 0.516 2860 D HN 0.653 nan 8.370 nan 0.000 0.517 2861 D N 1.069 121.537 120.400 0.114 0.000 2.360 2861 D HA 0.406 5.047 4.640 0.001 0.000 0.210 2861 D C 0.467 176.835 176.300 0.114 0.000 1.047 2861 D CA 0.723 54.785 54.000 0.104 0.000 0.854 2861 D CB 0.138 40.983 40.800 0.076 0.000 0.936 2861 D HN 0.416 nan 8.370 nan 0.000 0.514 2862 A N 0.523 123.405 122.820 0.103 0.000 2.264 2862 A HA 0.677 4.998 4.320 0.001 0.000 0.304 2862 A C 0.324 177.941 177.584 0.055 0.000 1.100 2862 A CA -0.318 51.759 52.037 0.066 0.000 0.839 2862 A CB 0.942 19.962 19.000 0.032 0.000 1.121 2862 A HN 0.085 nan 8.150 nan 0.000 0.496 2863 S N -0.446 115.234 115.700 -0.033 0.000 2.570 2863 S HA 0.806 5.277 4.470 0.001 0.000 0.270 2863 S C -0.703 173.802 174.600 -0.160 0.000 1.149 2863 S CA 0.083 58.170 58.200 -0.189 0.000 0.837 2863 S CB 1.365 64.331 63.200 -0.390 0.000 1.124 2863 S HN 2.052 nan 8.310 nan 0.000 0.465 2864 S N 0.686 116.273 115.700 -0.188 0.000 2.564 2864 S HA 0.759 5.230 4.470 0.001 0.000 0.274 2864 S C -1.170 173.374 174.600 -0.094 0.000 1.124 2864 S CA -0.697 57.436 58.200 -0.111 0.000 0.869 2864 S CB 1.842 64.992 63.200 -0.083 0.000 1.105 2864 S HN 1.004 nan 8.310 nan 0.000 0.472 2865 Q N -0.049 119.724 119.800 -0.045 0.000 2.451 2865 Q HA 0.781 5.122 4.340 0.001 0.000 0.281 2865 Q C -1.276 174.743 176.000 0.032 0.000 1.099 2865 Q CA -0.537 55.265 55.803 -0.003 0.000 0.806 2865 Q CB 2.437 31.164 28.738 -0.018 0.000 1.419 2865 Q HN 0.920 nan 8.270 nan 0.000 0.427 2866 T N 0.533 115.132 114.554 0.075 0.000 2.718 2866 T HA 0.640 4.991 4.350 0.001 0.000 0.306 2866 T C -2.021 172.741 174.700 0.104 0.000 1.485 2866 T CA -0.457 61.681 62.100 0.063 0.000 0.997 2866 T CB 0.949 69.843 68.868 0.043 0.000 1.504 2866 T HN 0.483 nan 8.240 nan 0.000 0.497 2867 I N 0.622 121.219 120.570 0.046 0.000 2.619 2867 I HA 0.652 4.823 4.170 0.001 0.000 0.292 2867 I C 0.143 176.223 176.117 -0.061 0.000 1.100 2867 I CA -0.985 60.349 61.300 0.056 0.000 1.043 2867 I CB 1.907 39.927 38.000 0.033 0.000 1.239 2867 I HN 0.547 nan 8.210 nan 0.000 0.420 2868 S N 3.429 119.085 115.700 -0.074 0.000 2.564 2868 S HA 0.593 5.064 4.470 0.001 0.000 0.278 2868 S C -2.395 172.138 174.600 -0.112 0.000 1.333 2868 S CA -0.914 57.154 58.200 -0.219 0.000 1.048 2868 S CB -0.040 63.041 63.200 -0.200 0.000 0.900 2868 S HN 0.551 nan 8.310 nan 0.000 0.505 2869 P HA 0.110 nan 4.420 nan 0.000 0.271 2869 P C 0.529 177.800 177.300 -0.048 0.000 1.238 2869 P CA -0.289 62.766 63.100 -0.075 0.000 0.794 2869 P CB 0.284 31.937 31.700 -0.080 0.000 0.959 2870 K N -0.608 119.773 120.400 -0.033 0.000 1.888 2870 K HA -0.303 4.017 4.320 0.001 0.000 0.114 2870 K C 0.642 177.234 176.600 -0.014 0.000 1.252 2870 K CA 1.790 58.064 56.287 -0.021 0.000 0.446 2870 K CB -1.244 31.245 32.500 -0.018 0.000 0.566 2870 K HN 0.354 nan 8.250 nan 0.000 0.937 2871 K N 0.200 120.595 120.400 -0.009 0.000 2.438 2871 K HA 0.331 4.652 4.320 0.001 0.000 0.206 2871 K C -0.401 176.201 176.600 0.003 0.000 1.081 2871 K CA 0.442 56.727 56.287 -0.002 0.000 1.053 2871 K CB 1.527 34.027 32.500 0.000 0.000 0.908 2871 K HN 0.489 nan 8.250 nan 0.000 0.556 2872 A N 1.856 124.676 122.820 0.001 0.000 2.445 2872 A HA 0.169 4.490 4.320 0.001 0.000 0.242 2872 A C 0.112 177.708 177.584 0.020 0.000 1.075 2872 A CA 0.360 52.402 52.037 0.009 0.000 0.777 2872 A CB 0.129 19.133 19.000 0.006 0.000 1.013 2872 A HN 0.374 nan 8.150 nan 0.000 0.493 2873 D N 0.115 120.530 120.400 0.026 0.000 2.538 2873 D HA 0.181 4.822 4.640 0.001 0.000 0.241 2873 D C -0.371 175.951 176.300 0.037 0.000 1.297 2873 D CA 0.086 54.108 54.000 0.037 0.000 0.804 2873 D CB -0.507 40.311 40.800 0.031 0.000 1.122 2873 D HN 0.357 nan 8.370 nan 0.000 0.519 2874 I N 0.907 121.496 120.570 0.033 0.000 2.404 2874 I HA 0.306 4.477 4.170 0.001 0.000 0.293 2874 I C -0.847 175.293 176.117 0.038 0.000 0.992 2874 I CA -1.365 59.954 61.300 0.032 0.000 1.149 2874 I CB 2.371 40.386 38.000 0.026 0.000 1.315 2874 I HN -0.129 nan 8.210 nan 0.000 0.446 2875 L N 6.458 127.708 121.223 0.044 0.000 2.255 2875 L HA 0.395 4.736 4.340 0.001 0.000 0.289 2875 L C -0.853 176.052 176.870 0.057 0.000 1.046 2875 L CA 0.158 55.031 54.840 0.054 0.000 0.816 2875 L CB 0.252 42.348 42.059 0.062 0.000 1.197 2875 L HN 0.452 nan 8.230 nan 0.000 0.427 2876 D N 6.127 126.557 120.400 0.051 0.000 2.427 2876 D HA 0.437 5.078 4.640 0.001 0.000 0.226 2876 D C -0.335 175.994 176.300 0.049 0.000 1.076 2876 D CA 0.064 54.090 54.000 0.043 0.000 0.849 2876 D CB 1.828 42.647 40.800 0.031 0.000 1.052 2876 D HN 0.397 nan 8.370 nan 0.000 0.515 2877 V N -0.961 118.984 119.914 0.051 0.000 3.158 2877 V HA 0.585 4.706 4.120 0.001 0.000 0.311 2877 V C -0.025 176.060 176.094 -0.015 0.000 1.181 2877 V CA -0.944 61.385 62.300 0.048 0.000 1.054 2877 V CB 1.663 33.554 31.823 0.114 0.000 1.085 2877 V HN 0.109 nan 8.190 nan 0.000 0.446 2878 V N 1.175 121.074 119.914 -0.026 0.000 2.583 2878 V HA 0.467 4.587 4.120 0.001 0.000 0.287 2878 V C 1.484 177.412 176.094 -0.277 0.000 1.051 2878 V CA 0.758 63.002 62.300 -0.093 0.000 1.010 2878 V CB 1.177 32.992 31.823 -0.012 0.000 0.988 2878 V HN 1.248 nan 8.190 nan 0.000 0.478 2879 G N 5.993 114.516 108.800 -0.462 0.000 3.084 2879 G HA2 0.279 4.240 3.960 0.001 0.000 0.254 2879 G HA3 0.279 4.240 3.960 0.001 0.000 0.254 2879 G C -0.042 174.329 174.900 -0.882 0.000 0.834 2879 G CA 0.080 44.554 45.100 -1.044 0.000 1.999 2879 G HN 0.567 nan 8.290 nan 0.000 0.611 2880 I N 0.766 121.026 120.570 -0.516 0.000 2.500 2880 I HA 0.209 4.380 4.170 0.001 0.000 0.286 2880 I C -1.100 174.993 176.117 -0.041 0.000 1.063 2880 I CA -0.971 60.177 61.300 -0.253 0.000 1.062 2880 I CB 2.299 40.097 38.000 -0.336 0.000 1.223 2880 I HN -0.028 nan 8.210 nan 0.000 0.435 2881 L N 7.893 129.183 121.223 0.113 0.000 2.265 2881 L HA 0.460 4.801 4.340 0.001 0.000 0.289 2881 L C -1.294 175.509 176.870 -0.113 0.000 1.033 2881 L CA 0.003 54.890 54.840 0.079 0.000 0.814 2881 L CB 0.444 42.506 42.059 0.004 0.000 1.203 2881 L HN 0.286 nan 8.230 nan 0.000 0.423 2882 Y N 4.257 124.669 120.300 0.187 0.000 2.313 2882 Y HA 0.567 5.118 4.550 0.001 0.000 0.332 2882 Y C 0.026 176.014 175.900 0.148 0.000 1.071 2882 Y CA -0.530 57.650 58.100 0.132 0.000 1.169 2882 Y CB 1.509 39.984 38.460 0.025 0.000 1.192 2882 Y HN 0.321 nan 8.280 nan 0.000 0.487 2883 V N 2.186 122.237 119.914 0.228 0.000 2.540 2883 V HA 0.569 4.690 4.120 0.001 0.000 0.302 2883 V C 0.676 176.558 176.094 -0.353 0.000 1.035 2883 V CA -0.283 62.044 62.300 0.045 0.000 0.873 2883 V CB 1.104 32.976 31.823 0.083 0.000 0.992 2883 V HN 1.037 nan 8.190 nan 0.000 0.428 2884 G N 2.883 111.341 108.800 -0.570 0.000 2.212 2884 G HA2 0.062 4.023 3.960 0.001 0.000 0.266 2884 G HA3 0.062 4.023 3.960 0.001 0.000 0.266 2884 G C 0.659 175.324 174.900 -0.392 0.000 0.978 2884 G CA 0.249 44.736 45.100 -1.021 0.000 0.632 2884 G HN 2.063 nan 8.290 nan 0.000 0.537 2885 G N -1.743 106.969 108.800 -0.147 0.000 2.317 2885 G HA2 0.569 4.529 3.960 0.001 0.000 0.293 2885 G HA3 0.569 4.529 3.960 0.001 0.000 0.293 2885 G C -1.372 173.459 174.900 -0.115 0.000 1.287 2885 G CA -0.367 44.705 45.100 -0.046 0.000 0.850 2885 G HN 0.926 nan 8.290 nan 0.000 0.515 2886 L N 0.264 121.331 121.223 -0.260 0.000 2.333 2886 L HA 0.559 4.900 4.340 0.001 0.000 0.263 2886 L C -2.410 174.031 176.870 -0.715 0.000 1.014 2886 L CA -2.145 52.306 54.840 -0.648 0.000 0.820 2886 L CB 2.775 44.523 42.059 -0.519 0.000 1.352 2886 L HN 0.282 nan 8.230 nan 0.000 0.421 2887 P HA 0.082 nan 4.420 nan 0.000 0.270 2887 P C 0.908 178.024 177.300 -0.306 0.000 1.223 2887 P CA -0.409 62.327 63.100 -0.607 0.000 0.785 2887 P CB 0.583 32.025 31.700 -0.429 0.000 0.923 2888 I N 0.773 121.159 120.570 -0.307 0.000 2.074 2888 I HA -0.277 3.894 4.170 0.001 0.000 0.238 2888 I C 1.097 177.144 176.117 -0.117 0.000 1.037 2888 I CA 2.167 63.335 61.300 -0.221 0.000 1.301 2888 I CB -1.163 36.695 38.000 -0.236 0.000 1.016 2888 I HN 0.437 nan 8.210 nan 0.000 0.400 2889 N N -0.330 118.322 118.700 -0.080 0.000 2.380 2889 N HA 0.027 4.768 4.740 0.001 0.000 0.255 2889 N C -0.459 175.036 175.510 -0.026 0.000 1.158 2889 N CA -0.089 52.931 53.050 -0.049 0.000 0.878 2889 N CB 0.090 38.555 38.487 -0.037 0.000 1.138 2889 N HN 0.287 nan 8.380 nan 0.000 0.509 2890 Y N 1.116 121.309 120.300 -0.180 0.000 2.350 2890 Y HA 0.245 4.796 4.550 0.001 0.000 0.340 2890 Y C -0.214 175.565 175.900 -0.202 0.000 1.006 2890 Y CA 0.002 57.989 58.100 -0.189 0.000 1.166 2890 Y CB 0.818 39.082 38.460 -0.326 0.000 1.168 2890 Y HN -0.169 nan 8.280 nan 0.000 0.502 2891 T N 4.706 118.994 114.554 -0.443 0.000 2.848 2891 T HA 0.343 4.694 4.350 0.001 0.000 0.285 2891 T C -0.899 173.427 174.700 -0.623 0.000 0.995 2891 T CA -0.735 61.131 62.100 -0.389 0.000 0.970 2891 T CB 1.426 70.144 68.868 -0.249 0.000 0.976 2891 T HN 0.608 nan 8.240 nan 0.000 0.441 2892 T N 2.121 116.314 114.554 -0.602 0.000 2.881 2892 T HA 0.437 4.788 4.350 0.001 0.000 0.290 2892 T C -0.067 174.341 174.700 -0.487 0.000 1.000 2892 T CA -0.781 60.840 62.100 -0.798 0.000 0.978 2892 T CB 0.813 69.162 68.868 -0.866 0.000 0.997 2892 T HN 0.527 nan 8.240 nan 0.000 0.443 2893 R N 3.119 123.379 120.500 -0.400 0.000 2.696 2893 R HA 0.284 4.625 4.340 0.001 0.000 0.355 2893 R C 1.189 177.344 176.300 -0.242 0.000 1.138 2893 R CA -0.472 55.471 56.100 -0.262 0.000 1.059 2893 R CB 0.375 30.566 30.300 -0.181 0.000 1.380 2893 R HN 0.317 nan 8.270 nan 0.000 0.578 2894 R N 0.546 120.839 120.500 -0.346 0.000 2.308 2894 R HA 0.164 4.505 4.340 0.001 0.000 0.202 2894 R C 1.545 177.600 176.300 -0.408 0.000 0.898 2894 R CA 0.590 56.466 56.100 -0.374 0.000 1.046 2894 R CB 0.327 30.252 30.300 -0.626 0.000 1.026 2894 R HN 0.318 nan 8.270 nan 0.000 0.512 2895 I N -3.355 116.992 120.570 -0.372 0.000 3.833 2895 I HA 0.446 4.617 4.170 0.001 0.000 0.328 2895 I C 0.310 176.308 176.117 -0.198 0.000 1.554 2895 I CA -0.176 60.968 61.300 -0.260 0.000 1.116 2895 I CB 0.608 38.456 38.000 -0.254 0.000 1.182 2895 I HN 0.076 nan 8.210 nan 0.000 0.459 2896 G N 3.049 111.742 108.800 -0.178 0.000 2.698 2896 G HA2 -0.208 3.752 3.960 0.001 0.000 0.225 2896 G HA3 -0.208 3.752 3.960 0.001 0.000 0.225 2896 G C -1.883 172.932 174.900 -0.142 0.000 1.345 2896 G CA -0.087 44.926 45.100 -0.144 0.000 0.871 2896 G HN 0.203 nan 8.290 nan 0.000 0.540 2897 P HA 0.093 nan 4.420 nan 0.000 0.225 2897 P C 1.003 178.269 177.300 -0.056 0.000 1.156 2897 P CA 1.064 64.143 63.100 -0.035 0.000 0.787 2897 P CB 0.035 31.747 31.700 0.021 0.000 0.802 2898 V N 2.497 122.283 119.914 -0.212 0.000 2.157 2898 V HA 0.034 4.155 4.120 0.001 0.000 0.241 2898 V C 1.554 177.324 176.094 -0.541 0.000 1.349 2898 V CA 1.288 63.263 62.300 -0.541 0.000 1.319 2898 V CB -1.251 30.319 31.823 -0.421 0.000 1.421 2898 V HN 0.311 nan 8.190 nan 0.000 0.501 2899 T N -1.555 112.712 114.554 -0.478 0.000 3.043 2899 T HA 0.229 4.580 4.350 0.001 0.000 0.272 2899 T C 0.298 174.862 174.700 -0.227 0.000 0.990 2899 T CA -0.299 61.606 62.100 -0.325 0.000 0.897 2899 T CB -0.234 68.491 68.868 -0.239 0.000 1.111 2899 T HN 0.454 nan 8.240 nan 0.000 0.529 2900 Y N 0.764 121.013 120.300 -0.084 0.000 2.316 2900 Y HA 0.738 5.288 4.550 0.001 0.000 0.324 2900 Y C 0.790 176.675 175.900 -0.025 0.000 1.267 2900 Y CA -1.731 56.340 58.100 -0.048 0.000 1.311 2900 Y CB 0.258 38.700 38.460 -0.028 0.000 1.267 2900 Y HN -0.022 nan 8.280 nan 0.000 0.516 2901 S N 1.337 117.147 115.700 0.182 0.000 2.563 2901 S HA 0.100 4.570 4.470 0.001 0.000 0.284 2901 S C -0.454 174.244 174.600 0.162 0.000 1.331 2901 S CA -0.771 57.513 58.200 0.139 0.000 1.047 2901 S CB 0.023 63.352 63.200 0.215 0.000 0.859 2901 S HN 0.653 nan 8.310 nan 0.000 0.514 2902 L N 3.979 125.260 121.223 0.097 0.000 2.319 2902 L HA 0.381 4.722 4.340 0.001 0.000 0.280 2902 L C -0.080 176.902 176.870 0.187 0.000 1.099 2902 L CA 0.000 54.910 54.840 0.116 0.000 0.828 2902 L CB 0.928 43.022 42.059 0.060 0.000 1.150 2902 L HN 0.632 nan 8.230 nan 0.000 0.442 2903 D N 4.372 124.870 120.400 0.162 0.000 2.508 2903 D HA 0.509 5.150 4.640 0.001 0.000 0.224 2903 D C -0.054 176.317 176.300 0.117 0.000 1.171 2903 D CA 0.541 54.628 54.000 0.145 0.000 1.006 2903 D CB -0.142 40.729 40.800 0.119 0.000 1.073 2903 D HN 0.768 nan 8.370 nan 0.000 0.513 2904 G N 0.690 109.579 108.800 0.148 0.000 2.489 2904 G HA2 0.368 4.329 3.960 0.001 0.000 0.305 2904 G HA3 0.368 4.329 3.960 0.001 0.000 0.305 2904 G C -1.522 173.461 174.900 0.139 0.000 1.311 2904 G CA -0.525 44.634 45.100 0.098 0.000 0.813 2904 G HN 0.420 nan 8.290 nan 0.000 0.480 2905 c N -0.129 118.510 118.600 0.064 0.000 2.411 2905 c HA 0.878 5.448 4.570 0.001 0.000 0.330 2905 c C -0.305 173.950 174.090 0.275 0.000 1.224 2905 c CA -0.205 56.195 56.329 0.119 0.000 1.770 2905 c CB 0.490 43.002 42.510 0.002 0.000 2.297 2905 c HN 0.671 nan 8.230 nan 0.000 0.507 2906 V N 5.949 126.099 119.914 0.393 0.000 2.760 2906 V HA 0.760 4.881 4.120 0.001 0.000 0.309 2906 V C -0.404 175.890 176.094 0.332 0.000 1.077 2906 V CA -0.529 62.029 62.300 0.431 0.000 0.910 2906 V CB 1.963 34.064 31.823 0.465 0.000 1.008 2906 V HN 1.022 nan 8.190 nan 0.000 0.424 2907 R N 2.155 122.801 120.500 0.243 0.000 2.752 2907 R HA 0.577 4.918 4.340 0.001 0.000 0.271 2907 R C -0.675 175.599 176.300 -0.044 0.000 1.026 2907 R CA -0.881 55.242 56.100 0.040 0.000 0.901 2907 R CB 0.982 31.214 30.300 -0.112 0.000 1.243 2907 R HN 0.456 nan 8.270 nan 0.000 0.463 2908 N N -0.008 118.617 118.700 -0.125 0.000 2.714 2908 N HA -0.188 4.553 4.740 0.001 0.000 0.253 2908 N C -0.906 174.356 175.510 -0.414 0.000 1.024 2908 N CA 0.834 53.756 53.050 -0.214 0.000 0.726 2908 N CB -1.007 37.455 38.487 -0.043 0.000 0.908 2908 N HN 0.559 nan 8.380 nan 0.000 0.542 2909 L N 1.952 122.919 121.223 -0.426 0.000 2.331 2909 L HA 0.297 4.638 4.340 0.001 0.000 0.278 2909 L C 0.044 176.525 176.870 -0.647 0.000 1.106 2909 L CA 0.157 54.786 54.840 -0.352 0.000 0.824 2909 L CB 0.533 42.495 42.059 -0.162 0.000 1.142 2909 L HN 0.193 nan 8.230 nan 0.000 0.443 2910 H N 6.120 125.143 119.070 -0.078 0.000 2.856 2910 H HA 0.355 4.912 4.556 0.001 0.000 0.355 2910 H C -1.150 174.089 175.328 -0.148 0.000 1.079 2910 H CA -0.605 55.384 56.048 -0.099 0.000 1.240 2910 H CB 1.946 31.659 29.762 -0.082 0.000 1.701 2910 H HN 0.650 nan 8.280 nan 0.000 0.527 2911 M N 2.859 122.424 119.600 -0.057 0.000 2.181 2911 M HA 0.173 4.654 4.480 0.001 0.000 0.323 2911 M C 1.088 177.323 176.300 -0.108 0.000 1.004 2911 M CA -0.317 54.888 55.300 -0.159 0.000 0.941 2911 M CB 1.603 34.029 32.600 -0.289 0.000 1.579 2911 M HN 0.755 nan 8.290 nan 0.000 0.427 2912 E N 2.389 122.527 120.200 -0.104 0.000 2.058 2912 E HA -0.229 4.122 4.350 0.001 0.000 0.194 2912 E C 1.208 177.764 176.600 -0.073 0.000 0.997 2912 E CA 1.918 58.269 56.400 -0.081 0.000 0.801 2912 E CB 0.291 29.944 29.700 -0.078 0.000 0.746 2912 E HN 0.807 nan 8.360 nan 0.000 0.450 2913 Q N -0.305 119.444 119.800 -0.085 0.000 2.435 2913 Q HA 0.108 4.449 4.340 0.001 0.000 0.207 2913 Q C -0.027 175.950 176.000 -0.038 0.000 0.956 2913 Q CA 0.790 56.559 55.803 -0.056 0.000 0.917 2913 Q CB 0.580 29.291 28.738 -0.046 0.000 0.997 2913 Q HN 0.169 nan 8.270 nan 0.000 0.497 2914 A N 2.108 124.890 122.820 -0.064 0.000 2.488 2914 A HA 0.543 4.864 4.320 0.001 0.000 0.295 2914 A C -2.798 174.761 177.584 -0.041 0.000 1.045 2914 A CA -1.489 50.535 52.037 -0.022 0.000 0.703 2914 A CB 1.460 20.483 19.000 0.037 0.000 1.271 2914 A HN -0.063 nan 8.150 nan 0.000 0.400 2915 P HA 0.311 nan 4.420 nan 0.000 0.267 2915 P C -0.659 176.639 177.300 -0.003 0.000 1.205 2915 P CA 0.281 63.380 63.100 -0.001 0.000 0.765 2915 P CB 1.046 32.753 31.700 0.011 0.000 0.828 2916 V N 4.477 124.380 119.914 -0.018 0.000 2.655 2916 V HA 0.299 4.420 4.120 0.001 0.000 0.301 2916 V C -0.546 175.525 176.094 -0.037 0.000 1.082 2916 V CA -0.474 61.806 62.300 -0.033 0.000 0.899 2916 V CB 2.170 33.933 31.823 -0.100 0.000 1.014 2916 V HN 0.740 nan 8.190 nan 0.000 0.429 2917 D N 4.996 125.381 120.400 -0.024 0.000 2.879 2917 D HA 0.328 4.969 4.640 0.001 0.000 0.236 2917 D C 0.679 176.965 176.300 -0.023 0.000 1.171 2917 D CA -0.654 53.322 54.000 -0.039 0.000 0.868 2917 D CB 2.390 43.184 40.800 -0.010 0.000 1.598 2917 D HN 0.323 nan 8.370 nan 0.000 0.497 2918 L N 0.827 122.030 121.223 -0.034 0.000 2.261 2918 L HA -0.164 4.176 4.340 0.001 0.000 0.216 2918 L C 1.297 178.171 176.870 0.007 0.000 1.114 2918 L CA 1.124 55.969 54.840 0.008 0.000 0.777 2918 L CB -0.229 41.839 42.059 0.015 0.000 0.910 2918 L HN 0.428 nan 8.230 nan 0.000 0.440 2919 D N -0.543 119.852 120.400 -0.007 0.000 2.355 2919 D HA -0.039 4.601 4.640 0.001 0.000 0.218 2919 D C 0.884 177.184 176.300 -0.001 0.000 1.004 2919 D CA 0.774 54.769 54.000 -0.008 0.000 0.880 2919 D CB 0.269 41.061 40.800 -0.014 0.000 0.911 2919 D HN 0.404 nan 8.370 nan 0.000 0.528 2920 Q N 1.032 120.836 119.800 0.007 0.000 2.928 2920 Q HA 0.196 4.537 4.340 0.001 0.000 0.353 2920 Q C -2.412 173.602 176.000 0.022 0.000 0.870 2920 Q CA -1.202 54.608 55.803 0.012 0.000 0.963 2920 Q CB 2.200 30.944 28.738 0.010 0.000 1.419 2920 Q HN 0.155 nan 8.270 nan 0.000 0.396 2921 P HA 0.037 nan 4.420 nan 0.000 0.274 2921 P C 0.501 177.826 177.300 0.043 0.000 1.237 2921 P CA -0.069 63.058 63.100 0.045 0.000 0.793 2921 P CB 1.540 33.278 31.700 0.063 0.000 0.977 2922 T N -0.670 113.912 114.554 0.046 0.000 3.035 2922 T HA 0.064 4.415 4.350 0.001 0.000 0.268 2922 T C 0.626 175.364 174.700 0.063 0.000 1.109 2922 T CA 1.159 63.285 62.100 0.044 0.000 1.119 2922 T CB -0.368 68.517 68.868 0.029 0.000 0.900 2922 T HN 0.796 nan 8.240 nan 0.000 0.503 2923 S N -0.612 115.136 115.700 0.081 0.000 2.683 2923 S HA 0.513 4.984 4.470 0.001 0.000 0.278 2923 S C -0.995 173.661 174.600 0.092 0.000 1.059 2923 S CA -0.500 57.758 58.200 0.096 0.000 0.847 2923 S CB 1.168 64.447 63.200 0.133 0.000 1.078 2923 S HN 0.446 nan 8.310 nan 0.000 0.456 2924 S N 0.663 116.400 115.700 0.061 0.000 2.651 2924 S HA 0.914 5.385 4.470 0.001 0.000 0.279 2924 S C -1.476 173.140 174.600 0.027 0.000 1.148 2924 S CA -0.959 57.237 58.200 -0.007 0.000 0.837 2924 S CB 1.717 64.926 63.200 0.015 0.000 1.138 2924 S HN 1.849 nan 8.310 nan 0.000 0.478 2925 F N 1.405 121.216 119.950 -0.233 0.000 2.839 2925 F HA 0.404 4.931 4.527 0.001 0.000 0.344 2925 F C 0.004 175.887 175.800 0.138 0.000 1.242 2925 F CA -0.199 57.773 58.000 -0.047 0.000 1.091 2925 F CB 0.659 39.592 39.000 -0.113 0.000 1.374 2925 F HN 0.993 nan 8.300 nan 0.000 0.553 2926 H N 3.254 122.052 119.070 -0.454 0.000 2.692 2926 H HA -0.109 4.448 4.556 0.001 0.000 0.316 2926 H C -0.988 174.259 175.328 -0.135 0.000 1.176 2926 H CA 0.623 56.478 56.048 -0.322 0.000 1.142 2926 H CB -1.036 28.511 29.762 -0.358 0.000 1.475 2926 H HN 0.230 nan 8.280 nan 0.000 0.423 2927 V N 0.213 120.077 119.914 -0.083 0.000 2.459 2927 V HA 0.629 4.749 4.120 0.001 0.000 0.295 2927 V C 0.974 176.933 176.094 -0.225 0.000 1.029 2927 V CA 0.145 62.334 62.300 -0.186 0.000 0.874 2927 V CB 1.988 33.678 31.823 -0.223 0.000 0.985 2927 V HN 0.477 nan 8.190 nan 0.000 0.438 2928 G N 2.717 111.358 108.800 -0.265 0.000 3.107 2928 G HA2 0.663 4.624 3.960 0.001 0.000 0.232 2928 G HA3 0.663 4.624 3.960 0.001 0.000 0.232 2928 G C -0.670 174.074 174.900 -0.260 0.000 1.339 2928 G CA -0.485 44.471 45.100 -0.240 0.000 1.033 2928 G HN 0.561 nan 8.290 nan 0.000 0.567 2929 T N -0.380 114.023 114.554 -0.251 0.000 2.855 2929 T HA 0.442 4.793 4.350 0.001 0.000 0.281 2929 T C -0.106 174.412 174.700 -0.304 0.000 1.007 2929 T CA -0.245 61.721 62.100 -0.223 0.000 1.009 2929 T CB 1.083 69.849 68.868 -0.170 0.000 0.983 2929 T HN 0.624 nan 8.240 nan 0.000 0.455 2930 c N 2.326 120.799 118.600 -0.212 0.000 2.534 2930 c HA 0.498 5.069 4.570 0.001 0.000 0.385 2930 c C 0.498 174.471 174.090 -0.194 0.000 1.264 2930 c CA -1.066 55.129 56.329 -0.224 0.000 2.342 2930 c CB -0.899 41.596 42.510 -0.025 0.000 2.564 2930 c HN 0.772 nan 8.230 nan 0.000 0.603 2931 F N 0.856 120.793 119.950 -0.022 0.000 2.443 2931 F HA 0.354 4.882 4.527 0.001 0.000 0.353 2931 F C 1.514 177.319 175.800 0.009 0.000 1.101 2931 F CA -0.161 57.816 58.000 -0.039 0.000 1.226 2931 F CB 0.702 39.646 39.000 -0.092 0.000 1.140 2931 F HN 0.828 nan 8.300 nan 0.000 0.557 2932 A N 3.444 126.391 122.820 0.211 0.000 1.917 2932 A HA -0.193 4.127 4.320 0.001 0.000 0.219 2932 A C 0.376 178.052 177.584 0.153 0.000 1.182 2932 A CA 1.332 53.468 52.037 0.165 0.000 0.633 2932 A CB -0.679 18.387 19.000 0.111 0.000 0.819 2932 A HN 0.858 nan 8.150 nan 0.000 0.448 2933 N N -1.462 117.305 118.700 0.111 0.000 2.346 2933 N HA 0.615 5.356 4.740 0.001 0.000 0.289 2933 N C -0.831 174.701 175.510 0.037 0.000 1.027 2933 N CA 0.135 53.219 53.050 0.058 0.000 0.864 2933 N CB 1.980 40.476 38.487 0.015 0.000 1.370 2933 N HN 0.466 nan 8.380 nan 0.000 0.481 2934 A N 1.719 124.564 122.820 0.041 0.000 2.581 2934 A HA 0.718 5.038 4.320 0.001 0.000 0.290 2934 A C -1.629 175.982 177.584 0.044 0.000 1.119 2934 A CA -0.738 51.326 52.037 0.046 0.000 0.670 2934 A CB 1.624 20.724 19.000 0.167 0.000 1.280 2934 A HN 0.735 nan 8.150 nan 0.000 0.425 2935 E N -0.497 119.747 120.200 0.074 0.000 2.433 2935 E HA 0.605 4.956 4.350 0.001 0.000 0.278 2935 E C -0.607 176.060 176.600 0.113 0.000 0.976 2935 E CA -0.477 55.976 56.400 0.088 0.000 0.793 2935 E CB 1.498 31.278 29.700 0.132 0.000 1.311 2935 E HN 0.936 nan 8.360 nan 0.000 0.460 2936 S N 0.212 115.961 115.700 0.083 0.000 2.549 2936 S HA 0.625 5.095 4.470 0.001 0.000 0.283 2936 S C 0.517 175.196 174.600 0.132 0.000 1.320 2936 S CA 0.435 58.687 58.200 0.087 0.000 1.058 2936 S CB 0.603 63.828 63.200 0.042 0.000 0.882 2936 S HN 1.086 nan 8.310 nan 0.000 0.498 2937 G N 1.256 110.153 108.800 0.162 0.000 2.327 2937 G HA2 0.422 4.383 3.960 0.001 0.000 0.291 2937 G HA3 0.422 4.383 3.960 0.001 0.000 0.291 2937 G C -1.315 173.694 174.900 0.183 0.000 1.290 2937 G CA -0.746 44.488 45.100 0.223 0.000 0.857 2937 G HN 0.821 nan 8.290 nan 0.000 0.520 2938 T N 0.577 115.229 114.554 0.163 0.000 2.809 2938 T HA 0.536 4.887 4.350 0.001 0.000 0.284 2938 T C -1.407 173.315 174.700 0.037 0.000 0.992 2938 T CA -0.142 61.926 62.100 -0.053 0.000 0.957 2938 T CB 1.312 69.888 68.868 -0.487 0.000 0.942 2938 T HN 0.604 nan 8.240 nan 0.000 0.439 2939 Y N 3.465 123.662 120.300 -0.172 0.000 2.330 2939 Y HA 0.628 5.179 4.550 0.002 0.000 0.336 2939 Y C -1.555 174.158 175.900 -0.312 0.000 1.036 2939 Y CA -1.729 56.311 58.100 -0.100 0.000 1.125 2939 Y CB 0.517 38.960 38.460 -0.028 0.000 1.194 2939 Y HN 0.538 nan 8.280 nan 0.000 0.469 2940 F N 5.386 124.960 119.950 -0.626 0.000 2.427 2940 F HA 0.225 4.752 4.527 0.001 0.000 0.348 2940 F C 0.650 175.890 175.800 -0.933 0.000 1.125 2940 F CA -1.112 56.560 58.000 -0.546 0.000 0.989 2940 F CB 1.223 40.121 39.000 -0.170 0.000 1.165 2940 F HN 0.585 nan 8.300 nan 0.000 0.442 2941 D N 0.418 120.427 120.400 -0.652 0.000 2.363 2941 D HA 0.113 4.754 4.640 0.001 0.000 0.220 2941 D C 1.785 177.943 176.300 -0.237 0.000 0.994 2941 D CA 0.972 54.682 54.000 -0.483 0.000 0.890 2941 D CB 0.118 40.802 40.800 -0.194 0.000 0.906 2941 D HN 0.764 nan 8.370 nan 0.000 0.530 2942 G N -0.414 108.288 108.800 -0.164 0.000 2.213 2942 G HA2 -0.325 3.636 3.960 0.001 0.000 0.236 2942 G HA3 -0.325 3.636 3.960 0.001 0.000 0.236 2942 G C 1.182 176.060 174.900 -0.037 0.000 0.991 2942 G CA 0.776 45.816 45.100 -0.100 0.000 0.629 2942 G HN 0.648 nan 8.290 nan 0.000 0.517 2943 T N -1.747 112.790 114.554 -0.029 0.000 3.065 2943 T HA 0.566 4.917 4.350 0.001 0.000 0.252 2943 T C 1.376 176.098 174.700 0.037 0.000 1.099 2943 T CA 1.395 63.492 62.100 -0.005 0.000 1.063 2943 T CB 0.694 69.552 68.868 -0.018 0.000 0.948 2943 T HN 1.634 nan 8.240 nan 0.000 0.506 2944 G N 0.673 109.517 108.800 0.073 0.000 3.039 2944 G HA2 0.657 4.618 3.960 0.001 0.000 0.202 2944 G HA3 0.657 4.618 3.960 0.001 0.000 0.202 2944 G C -1.333 173.775 174.900 0.347 0.000 1.151 2944 G CA -0.784 44.409 45.100 0.154 0.000 0.836 2944 G HN 0.577 nan 8.290 nan 0.000 0.598 2945 F N -2.469 117.572 119.950 0.152 0.000 2.877 2945 F HA 0.839 5.367 4.527 0.001 0.000 0.319 2945 F C -0.687 175.305 175.800 0.320 0.000 1.174 2945 F CA -1.313 56.849 58.000 0.269 0.000 0.903 2945 F CB 1.390 40.503 39.000 0.190 0.000 1.357 2945 F HN 0.930 nan 8.300 nan 0.000 0.472 2946 A N 1.324 124.470 122.820 0.544 0.000 2.343 2946 A HA 0.626 4.947 4.320 0.001 0.000 0.308 2946 A C -1.190 176.689 177.584 0.491 0.000 1.092 2946 A CA -0.888 51.390 52.037 0.402 0.000 0.751 2946 A CB 1.435 20.765 19.000 0.549 0.000 1.203 2946 A HN 0.786 nan 8.150 nan 0.000 0.452 2947 K N 3.074 123.672 120.400 0.331 0.000 2.184 2947 K HA 0.477 4.797 4.320 0.001 0.000 0.259 2947 K C 1.068 177.670 176.600 0.004 0.000 1.119 2947 K CA 0.254 56.630 56.287 0.148 0.000 0.991 2947 K CB 0.340 32.960 32.500 0.201 0.000 1.522 2947 K HN 0.785 nan 8.250 nan 0.000 0.405 2948 A N 3.648 126.436 122.820 -0.054 0.000 1.827 2948 A HA -0.085 4.236 4.320 0.001 0.000 0.215 2948 A C 0.760 178.254 177.584 -0.150 0.000 1.212 2948 A CA 1.736 53.681 52.037 -0.153 0.000 0.624 2948 A CB -0.482 18.370 19.000 -0.248 0.000 0.853 2948 A HN 0.522 nan 8.150 nan 0.000 0.450 2949 V N -5.210 114.607 119.914 -0.162 0.000 3.155 2949 V HA 0.864 4.984 4.120 0.001 0.000 0.313 2949 V C 0.142 176.185 176.094 -0.085 0.000 1.162 2949 V CA -0.412 61.833 62.300 -0.090 0.000 1.048 2949 V CB 1.118 32.922 31.823 -0.032 0.000 1.092 2949 V HN 0.931 nan 8.190 nan 0.000 0.447 2950 G N -1.339 107.449 108.800 -0.019 0.000 2.685 2950 G HA2 0.637 4.598 3.960 0.001 0.000 0.298 2950 G HA3 0.637 4.598 3.960 0.001 0.000 0.298 2950 G C 0.633 175.563 174.900 0.050 0.000 1.277 2950 G CA -0.430 44.666 45.100 -0.006 0.000 0.986 2950 G HN 2.286 nan 8.290 nan 0.000 0.487 2951 G N -1.256 107.573 108.800 0.048 0.000 2.283 2951 G HA2 -0.250 3.711 3.960 0.001 0.000 0.280 2951 G HA3 -0.250 3.711 3.960 0.001 0.000 0.280 2951 G C 0.112 175.045 174.900 0.055 0.000 1.029 2951 G CA 0.546 45.671 45.100 0.043 0.000 0.840 2951 G HN 0.844 nan 8.290 nan 0.000 0.505 2952 F N 0.953 120.882 119.950 -0.035 0.000 2.427 2952 F HA 0.530 5.058 4.527 0.001 0.000 0.352 2952 F C 0.854 176.649 175.800 -0.008 0.000 1.100 2952 F CA -0.218 57.766 58.000 -0.027 0.000 1.191 2952 F CB 0.706 39.681 39.000 -0.042 0.000 1.128 2952 F HN 0.026 nan 8.300 nan 0.000 0.533 2953 K N 5.953 126.094 120.400 -0.431 0.000 2.389 2953 K HA 0.308 4.629 4.320 0.001 0.000 0.261 2953 K C 0.449 176.908 176.600 -0.235 0.000 1.014 2953 K CA -0.567 55.590 56.287 -0.217 0.000 0.920 2953 K CB 1.865 34.244 32.500 -0.202 0.000 1.149 2953 K HN 0.490 nan 8.250 nan 0.000 0.444 2954 V N 2.456 122.411 119.914 0.068 0.000 2.307 2954 V HA -0.184 3.937 4.120 0.001 0.000 0.245 2954 V C 1.449 177.583 176.094 0.067 0.000 1.045 2954 V CA 2.038 64.438 62.300 0.168 0.000 1.024 2954 V CB -1.176 30.775 31.823 0.213 0.000 0.651 2954 V HN 1.193 nan 8.190 nan 0.000 0.449 2955 G N -0.150 108.673 108.800 0.039 0.000 2.566 2955 G HA2 -0.332 3.629 3.960 0.001 0.000 0.280 2955 G HA3 -0.332 3.629 3.960 0.001 0.000 0.280 2955 G C 0.550 175.479 174.900 0.049 0.000 1.225 2955 G CA 0.553 45.667 45.100 0.024 0.000 0.966 2955 G HN 0.336 nan 8.290 nan 0.000 0.560 2956 L N 0.363 121.609 121.223 0.039 0.000 2.023 2956 L HA 0.226 4.567 4.340 0.001 0.000 0.205 2956 L C 0.934 177.846 176.870 0.071 0.000 1.073 2956 L CA 1.526 56.396 54.840 0.051 0.000 0.745 2956 L CB -0.319 41.761 42.059 0.034 0.000 0.900 2956 L HN 0.451 nan 8.230 nan 0.000 0.435 2957 D N -0.263 120.177 120.400 0.066 0.000 2.481 2957 D HA 0.620 5.261 4.640 0.001 0.000 0.244 2957 D C -1.198 175.164 176.300 0.103 0.000 1.057 2957 D CA -0.269 53.782 54.000 0.085 0.000 0.848 2957 D CB 3.291 44.130 40.800 0.065 0.000 1.388 2957 D HN -0.218 nan 8.370 nan 0.000 0.475 2958 L N 1.762 123.067 121.223 0.137 0.000 2.549 2958 L HA 0.462 4.803 4.340 0.001 0.000 0.259 2958 L C -2.339 174.616 176.870 0.142 0.000 0.934 2958 L CA -0.708 54.229 54.840 0.161 0.000 0.865 2958 L CB 2.123 44.316 42.059 0.223 0.000 1.352 2958 L HN 0.282 nan 8.230 nan 0.000 0.410 2959 L N 5.347 126.635 121.223 0.109 0.000 2.356 2959 L HA 0.853 5.194 4.340 0.001 0.000 0.277 2959 L C -1.501 175.394 176.870 0.041 0.000 0.996 2959 L CA -0.342 54.531 54.840 0.056 0.000 0.822 2959 L CB 1.976 44.060 42.059 0.043 0.000 1.256 2959 L HN 0.393 nan 8.230 nan 0.000 0.413 2960 V N 4.615 124.522 119.914 -0.013 0.000 2.495 2960 V HA 0.608 4.729 4.120 0.001 0.000 0.298 2960 V C -0.552 175.560 176.094 0.029 0.000 1.031 2960 V CA -0.562 61.750 62.300 0.021 0.000 0.871 2960 V CB 1.733 33.557 31.823 0.001 0.000 0.988 2960 V HN 0.819 nan 8.190 nan 0.000 0.432 2961 E N 4.791 125.056 120.200 0.109 0.000 2.293 2961 E HA 0.824 5.175 4.350 0.001 0.000 0.270 2961 E C -1.326 175.418 176.600 0.239 0.000 0.879 2961 E CA -0.547 55.884 56.400 0.052 0.000 0.756 2961 E CB 2.950 32.656 29.700 0.011 0.000 1.208 2961 E HN 0.602 nan 8.360 nan 0.000 0.428 2962 F N -1.338 118.628 119.950 0.027 0.000 2.900 2962 F HA 0.512 5.040 4.527 0.001 0.000 0.321 2962 F C -1.627 174.259 175.800 0.142 0.000 1.160 2962 F CA -1.047 57.005 58.000 0.085 0.000 0.890 2962 F CB 1.204 40.264 39.000 0.100 0.000 1.334 2962 F HN 0.239 nan 8.300 nan 0.000 0.459 2963 E N 0.885 121.336 120.200 0.418 0.000 2.293 2963 E HA 0.655 5.006 4.350 0.001 0.000 0.270 2963 E C -1.790 175.308 176.600 0.830 0.000 0.879 2963 E CA -0.906 55.734 56.400 0.400 0.000 0.756 2963 E CB 3.220 33.015 29.700 0.159 0.000 1.208 2963 E HN 0.589 nan 8.360 nan 0.000 0.428 2964 F N -0.122 120.200 119.950 0.621 0.000 2.662 2964 F HA 0.717 5.245 4.527 0.002 0.000 0.312 2964 F C -1.480 174.465 175.800 0.242 0.000 1.113 2964 F CA -1.124 57.177 58.000 0.501 0.000 0.951 2964 F CB 1.417 40.631 39.000 0.357 0.000 1.344 2964 F HN 0.385 nan 8.300 nan 0.000 0.462 2965 R N 1.206 121.698 120.500 -0.013 0.000 2.566 2965 R HA 0.745 5.086 4.340 0.001 0.000 0.271 2965 R C -1.955 174.381 176.300 0.059 0.000 1.071 2965 R CA -0.659 55.267 56.100 -0.289 0.000 0.915 2965 R CB 1.775 31.506 30.300 -0.948 0.000 1.228 2965 R HN 1.035 nan 8.270 nan 0.000 0.449 2966 T N -0.311 114.303 114.554 0.100 0.000 2.792 2966 T HA 0.380 4.731 4.350 0.001 0.000 0.303 2966 T C -0.198 174.495 174.700 -0.013 0.000 1.310 2966 T CA -0.043 62.084 62.100 0.045 0.000 1.007 2966 T CB 1.844 70.849 68.868 0.228 0.000 1.335 2966 T HN 0.749 nan 8.240 nan 0.000 0.504 2967 T N 0.283 114.786 114.554 -0.086 0.000 3.132 2967 T HA 0.443 4.794 4.350 0.001 0.000 0.274 2967 T C 0.270 174.932 174.700 -0.064 0.000 1.011 2967 T CA -0.550 61.505 62.100 -0.075 0.000 0.899 2967 T CB 0.021 68.817 68.868 -0.121 0.000 1.089 2967 T HN 0.404 nan 8.240 nan 0.000 0.543 2968 R N 1.799 122.274 120.500 -0.042 0.000 2.740 2968 R HA 0.397 4.738 4.340 0.001 0.000 0.282 2968 R C -2.409 173.942 176.300 0.084 0.000 0.969 2968 R CA -2.231 53.875 56.100 0.010 0.000 0.918 2968 R CB 1.546 31.812 30.300 -0.057 0.000 1.175 2968 R HN -0.049 nan 8.270 nan 0.000 0.464 2969 P HA 0.029 nan 4.420 nan 0.000 0.240 2969 P C -0.303 177.052 177.300 0.091 0.000 1.190 2969 P CA 0.502 63.661 63.100 0.097 0.000 0.781 2969 P CB 0.673 32.423 31.700 0.082 0.000 0.931 2970 T N -0.611 113.995 114.554 0.087 0.000 2.912 2970 T HA 0.658 5.009 4.350 0.001 0.000 0.299 2970 T C -0.434 174.316 174.700 0.083 0.000 1.052 2970 T CA -0.480 61.665 62.100 0.074 0.000 0.996 2970 T CB 2.124 71.025 68.868 0.056 0.000 1.070 2970 T HN 0.113 nan 8.240 nan 0.000 0.465 2971 G N 0.817 109.664 108.800 0.078 0.000 2.443 2971 G HA2 0.430 4.391 3.960 0.001 0.000 0.303 2971 G HA3 0.430 4.391 3.960 0.001 0.000 0.303 2971 G C -1.383 173.531 174.900 0.023 0.000 1.613 2971 G CA -0.708 44.448 45.100 0.093 0.000 0.879 2971 G HN 0.712 nan 8.290 nan 0.000 0.632 2972 V N 2.637 122.555 119.914 0.007 0.000 2.585 2972 V HA 0.183 4.304 4.120 0.001 0.000 0.296 2972 V C 1.373 177.348 176.094 -0.199 0.000 1.035 2972 V CA 0.213 62.493 62.300 -0.033 0.000 1.084 2972 V CB 1.035 32.891 31.823 0.054 0.000 0.953 2972 V HN 0.677 nan 8.190 nan 0.000 0.483 2973 L N 4.564 125.609 121.223 -0.297 0.000 2.265 2973 L HA 0.397 4.738 4.340 0.001 0.000 0.195 2973 L C 0.396 177.001 176.870 -0.442 0.000 1.083 2973 L CA 0.809 55.307 54.840 -0.568 0.000 0.798 2973 L CB 0.202 41.895 42.059 -0.611 0.000 0.989 2973 L HN 0.452 nan 8.230 nan 0.000 0.472 2974 L N -0.877 120.185 121.223 -0.268 0.000 2.434 2974 L HA 0.762 5.103 4.340 0.001 0.000 0.260 2974 L C -1.346 175.494 176.870 -0.049 0.000 0.983 2974 L CA -0.446 54.292 54.840 -0.170 0.000 0.820 2974 L CB 2.329 44.236 42.059 -0.253 0.000 1.361 2974 L HN -0.014 nan 8.230 nan 0.000 0.410 2975 G N 2.293 111.096 108.800 0.005 0.000 2.753 2975 G HA2 0.535 4.496 3.960 0.001 0.000 0.295 2975 G HA3 0.535 4.496 3.960 0.001 0.000 0.295 2975 G C -2.352 172.571 174.900 0.038 0.000 1.437 2975 G CA -0.398 44.707 45.100 0.009 0.000 1.094 2975 G HN 0.565 nan 8.290 nan 0.000 0.540 2976 V N 1.647 121.566 119.914 0.008 0.000 2.447 2976 V HA 0.847 4.968 4.120 0.001 0.000 0.292 2976 V C -0.734 175.391 176.094 0.051 0.000 1.021 2976 V CA -0.320 61.997 62.300 0.028 0.000 0.850 2976 V CB 1.394 33.217 31.823 0.001 0.000 1.005 2976 V HN 1.033 nan 8.190 nan 0.000 0.426 2977 S N 4.340 120.068 115.700 0.046 0.000 2.546 2977 S HA 0.641 5.112 4.470 0.001 0.000 0.274 2977 S C -0.493 174.155 174.600 0.081 0.000 1.121 2977 S CA -0.048 58.180 58.200 0.046 0.000 0.887 2977 S CB 2.155 65.294 63.200 -0.100 0.000 1.094 2977 S HN 1.166 nan 8.310 nan 0.000 0.474 2978 S N 1.571 117.370 115.700 0.165 0.000 2.614 2978 S HA 0.305 4.776 4.470 0.001 0.000 0.265 2978 S C 0.542 175.271 174.600 0.214 0.000 1.303 2978 S CA -0.193 58.109 58.200 0.171 0.000 1.000 2978 S CB 0.659 63.962 63.200 0.171 0.000 0.935 2978 S HN 0.746 nan 8.310 nan 0.000 0.551 2979 Q N 1.247 121.148 119.800 0.167 0.000 2.319 2979 Q HA 0.136 4.476 4.340 0.001 0.000 0.202 2979 Q C 1.350 177.509 176.000 0.265 0.000 0.896 2979 Q CA 0.383 56.281 55.803 0.158 0.000 0.942 2979 Q CB 0.231 29.013 28.738 0.074 0.000 1.083 2979 Q HN 0.806 nan 8.270 nan 0.000 0.510 2980 K N -0.707 119.845 120.400 0.253 0.000 2.214 2980 K HA 0.190 4.511 4.320 0.001 0.000 0.210 2980 K C 0.538 177.144 176.600 0.009 0.000 1.036 2980 K CA 0.311 56.678 56.287 0.133 0.000 0.958 2980 K CB 0.729 33.264 32.500 0.058 0.000 0.973 2980 K HN 0.045 nan 8.250 nan 0.000 0.466 2981 M N 0.367 119.918 119.600 -0.082 0.000 2.895 2981 M HA 0.197 4.677 4.480 0.001 0.000 0.271 2981 M C -2.065 174.136 176.300 -0.165 0.000 1.174 2981 M CA -0.321 54.661 55.300 -0.529 0.000 0.816 2981 M CB 2.110 34.468 32.600 -0.402 0.000 1.647 2981 M HN 0.375 nan 8.290 nan 0.000 0.506 2982 D N 0.523 120.808 120.400 -0.193 0.000 10.375 2982 D HA 0.346 4.987 4.640 0.001 0.000 0.304 2982 D C -0.803 175.605 176.300 0.180 0.000 2.977 2982 D CA 1.837 55.849 54.000 0.020 0.000 2.717 2982 D CB -0.780 40.037 40.800 0.028 0.000 1.143 2982 D HN 1.107 nan 8.370 nan 0.000 0.875 2983 G N -0.314 108.574 108.800 0.146 0.000 2.451 2983 G HA2 0.658 4.619 3.960 0.001 0.000 0.292 2983 G HA3 0.658 4.619 3.960 0.001 0.000 0.292 2983 G C -1.695 173.251 174.900 0.077 0.000 1.427 2983 G CA -0.480 44.705 45.100 0.141 0.000 0.792 2983 G HN 0.545 nan 8.290 nan 0.000 0.498 2984 M N 0.092 119.734 119.600 0.070 0.000 2.470 2984 M HA 0.753 5.234 4.480 0.001 0.000 0.285 2984 M C -0.962 175.392 176.300 0.091 0.000 1.213 2984 M CA -0.231 55.115 55.300 0.076 0.000 0.901 2984 M CB 1.666 34.343 32.600 0.128 0.000 1.718 2984 M HN 1.748 nan 8.290 nan 0.000 0.469 2985 G N 3.375 112.268 108.800 0.155 0.000 2.673 2985 G HA2 0.713 4.674 3.960 0.001 0.000 0.292 2985 G HA3 0.713 4.674 3.960 0.001 0.000 0.292 2985 G C -2.236 172.797 174.900 0.222 0.000 1.450 2985 G CA -0.628 44.557 45.100 0.142 0.000 0.837 2985 G HN 0.707 nan 8.290 nan 0.000 0.505 2986 I N 0.874 121.514 120.570 0.118 0.000 2.533 2986 I HA 0.525 4.696 4.170 0.001 0.000 0.290 2986 I C -0.355 175.764 176.117 0.003 0.000 1.056 2986 I CA -0.647 60.703 61.300 0.082 0.000 1.057 2986 I CB 2.381 40.410 38.000 0.048 0.000 1.240 2986 I HN 0.842 nan 8.210 nan 0.000 0.423 2987 E N 6.210 126.417 120.200 0.012 0.000 2.454 2987 E HA 0.637 4.988 4.350 0.001 0.000 0.279 2987 E C -1.596 174.987 176.600 -0.029 0.000 1.029 2987 E CA -1.150 55.236 56.400 -0.023 0.000 0.831 2987 E CB 2.913 32.652 29.700 0.065 0.000 1.405 2987 E HN 0.495 nan 8.360 nan 0.000 0.463 2988 M N 2.047 121.627 119.600 -0.033 0.000 2.204 2988 M HA 0.503 4.984 4.480 0.001 0.000 0.293 2988 M C -2.054 174.271 176.300 0.041 0.000 0.994 2988 M CA -0.558 54.742 55.300 0.000 0.000 0.925 2988 M CB 1.337 33.918 32.600 -0.032 0.000 1.577 2988 M HN 0.579 nan 8.290 nan 0.000 0.439 2989 I N 5.096 125.699 120.570 0.055 0.000 2.439 2989 I HA 0.284 4.455 4.170 0.001 0.000 0.285 2989 I C -0.623 175.524 176.117 0.051 0.000 1.021 2989 I CA -0.525 60.809 61.300 0.056 0.000 1.091 2989 I CB 1.744 39.782 38.000 0.063 0.000 1.242 2989 I HN 0.762 nan 8.210 nan 0.000 0.439 2990 D N 5.511 125.941 120.400 0.050 0.000 2.699 2990 D HA -0.205 4.435 4.640 0.001 0.000 0.239 2990 D C 0.618 176.947 176.300 0.047 0.000 1.136 2990 D CA 1.244 55.271 54.000 0.045 0.000 0.668 2990 D CB -0.700 40.120 40.800 0.032 0.000 1.060 2990 D HN 0.871 nan 8.370 nan 0.000 0.429 2991 E N -2.312 117.926 120.200 0.064 0.000 3.799 2991 E HA -0.269 4.082 4.350 0.001 0.000 0.320 2991 E C -0.114 176.527 176.600 0.068 0.000 0.760 2991 E CA 1.269 57.715 56.400 0.076 0.000 1.153 2991 E CB -0.570 29.172 29.700 0.070 0.000 1.589 2991 E HN 0.470 nan 8.360 nan 0.000 0.448 2992 K N 0.984 121.413 120.400 0.050 0.000 2.276 2992 K HA 0.382 4.703 4.320 0.001 0.000 0.285 2992 K C -0.215 176.429 176.600 0.075 0.000 1.062 2992 K CA -0.331 55.980 56.287 0.040 0.000 0.918 2992 K CB 1.201 33.712 32.500 0.019 0.000 1.055 2992 K HN 0.002 nan 8.250 nan 0.000 0.477 2993 L N 4.668 125.970 121.223 0.132 0.000 2.281 2993 L HA 0.312 4.653 4.340 0.001 0.000 0.285 2993 L C -0.731 176.187 176.870 0.079 0.000 1.074 2993 L CA 0.101 55.011 54.840 0.115 0.000 0.817 2993 L CB 0.446 42.615 42.059 0.183 0.000 1.168 2993 L HN 0.566 nan 8.230 nan 0.000 0.434 2994 M N 5.325 124.927 119.600 0.005 0.000 2.383 2994 M HA 0.359 4.839 4.480 0.001 0.000 0.325 2994 M C -1.288 174.924 176.300 -0.146 0.000 1.092 2994 M CA -0.489 54.736 55.300 -0.124 0.000 0.961 2994 M CB 2.222 34.668 32.600 -0.256 0.000 1.672 2994 M HN 0.403 nan 8.290 nan 0.000 0.438 2995 F N 4.145 123.882 119.950 -0.355 0.000 2.382 2995 F HA 0.462 4.990 4.527 0.001 0.000 0.361 2995 F C -0.975 174.608 175.800 -0.361 0.000 1.109 2995 F CA -0.778 57.067 58.000 -0.258 0.000 1.031 2995 F CB 0.375 39.300 39.000 -0.125 0.000 1.234 2995 F HN 0.484 nan 8.300 nan 0.000 0.445 2996 H N 4.854 123.874 119.070 -0.084 0.000 2.472 2996 H HA 0.747 5.304 4.556 0.002 0.000 0.338 2996 H C -0.840 174.207 175.328 -0.468 0.000 1.133 2996 H CA -0.757 55.110 56.048 -0.302 0.000 1.216 2996 H CB 2.394 32.081 29.762 -0.123 0.000 1.497 2996 H HN 0.374 nan 8.280 nan 0.000 0.500 2997 V N 2.275 121.862 119.914 -0.545 0.000 2.851 2997 V HA 0.115 4.235 4.120 0.001 0.000 0.307 2997 V C -0.763 175.086 176.094 -0.409 0.000 1.129 2997 V CA -0.772 61.194 62.300 -0.556 0.000 0.932 2997 V CB 2.671 33.984 31.823 -0.850 0.000 1.024 2997 V HN 0.731 nan 8.190 nan 0.000 0.426 2998 D N 2.696 123.040 120.400 -0.093 0.000 2.476 2998 D HA 0.347 4.988 4.640 0.001 0.000 0.251 2998 D C 0.096 176.442 176.300 0.077 0.000 1.291 2998 D CA -0.339 53.692 54.000 0.053 0.000 0.939 2998 D CB 1.291 42.109 40.800 0.030 0.000 1.221 2998 D HN 0.408 nan 8.370 nan 0.000 0.567 2999 N N 1.934 120.726 118.700 0.153 0.000 2.383 2999 N HA 0.171 4.912 4.740 0.001 0.000 0.192 2999 N C 1.241 176.773 175.510 0.037 0.000 1.141 2999 N CA 0.767 53.877 53.050 0.101 0.000 0.851 2999 N CB 1.003 39.571 38.487 0.135 0.000 0.976 2999 N HN 0.738 nan 8.380 nan 0.000 0.465 3000 G N -0.449 108.355 108.800 0.006 0.000 2.229 3000 G HA2 -0.195 3.765 3.960 0.001 0.000 0.189 3000 G HA3 -0.195 3.765 3.960 0.001 0.000 0.189 3000 G C 0.649 175.524 174.900 -0.041 0.000 1.000 3000 G CA 0.133 45.206 45.100 -0.044 0.000 0.663 3000 G HN 0.452 nan 8.290 nan 0.000 0.493 3001 A N -0.062 122.751 122.820 -0.010 0.000 2.431 3001 A HA 0.756 5.076 4.320 0.001 0.000 0.239 3001 A C 1.343 178.924 177.584 -0.004 0.000 1.230 3001 A CA 1.321 53.346 52.037 -0.020 0.000 0.928 3001 A CB 0.273 19.254 19.000 -0.033 0.000 1.006 3001 A HN 2.366 nan 8.150 nan 0.000 0.520 3002 G N -0.494 108.321 108.800 0.025 0.000 2.535 3002 G HA2 0.186 4.147 3.960 0.001 0.000 0.662 3002 G HA3 0.186 4.147 3.960 0.001 0.000 0.662 3002 G C -0.581 174.412 174.900 0.156 0.000 1.417 3002 G CA -0.503 44.627 45.100 0.051 0.000 0.866 3002 G HN 0.620 nan 8.290 nan 0.000 0.647 3003 R N 0.420 120.991 120.500 0.118 0.000 2.491 3003 R HA 0.657 4.998 4.340 0.001 0.000 0.283 3003 R C 0.098 176.545 176.300 0.245 0.000 1.072 3003 R CA -0.191 55.987 56.100 0.130 0.000 1.048 3003 R CB 0.167 30.485 30.300 0.030 0.000 0.983 3003 R HN 0.899 nan 8.270 nan 0.000 0.450 3004 F N -0.245 119.708 119.950 0.004 0.000 2.588 3004 F HA 0.670 5.198 4.527 0.001 0.000 0.314 3004 F C -1.182 174.616 175.800 -0.003 0.000 1.069 3004 F CA -0.975 57.023 58.000 -0.002 0.000 0.931 3004 F CB 2.202 41.183 39.000 -0.032 0.000 1.260 3004 F HN 0.291 nan 8.300 nan 0.000 0.465 3005 T N 1.045 115.629 114.554 0.051 0.000 2.900 3005 T HA 0.752 5.102 4.350 0.001 0.000 0.303 3005 T C -1.202 173.475 174.700 -0.039 0.000 1.142 3005 T CA -0.781 61.267 62.100 -0.087 0.000 1.007 3005 T CB 1.791 70.663 68.868 0.007 0.000 1.156 3005 T HN 0.961 nan 8.240 nan 0.000 0.490 3006 A N 2.487 125.262 122.820 -0.076 0.000 2.287 3006 A HA 0.843 5.164 4.320 0.001 0.000 0.317 3006 A C -0.671 176.941 177.584 0.046 0.000 1.220 3006 A CA -0.655 51.408 52.037 0.043 0.000 0.835 3006 A CB 0.180 19.259 19.000 0.133 0.000 1.180 3006 A HN 0.802 nan 8.150 nan 0.000 0.500 3007 I N 2.063 122.672 120.570 0.064 0.000 2.433 3007 I HA 0.309 4.480 4.170 0.001 0.000 0.292 3007 I C -1.068 175.123 176.117 0.124 0.000 1.001 3007 I CA -0.681 60.659 61.300 0.067 0.000 1.119 3007 I CB 1.856 39.876 38.000 0.034 0.000 1.289 3007 I HN 0.735 nan 8.210 nan 0.000 0.438 3008 Y N 5.627 125.940 120.300 0.022 0.000 2.328 3008 Y HA 0.469 5.020 4.550 0.001 0.000 0.337 3008 Y C -1.054 174.863 175.900 0.030 0.000 0.966 3008 Y CA -0.746 57.371 58.100 0.029 0.000 1.136 3008 Y CB 1.151 39.630 38.460 0.033 0.000 1.170 3008 Y HN 0.480 nan 8.280 nan 0.000 0.470 3009 D N 4.468 124.472 120.400 -0.661 0.000 2.481 3009 D HA 0.416 5.056 4.640 0.001 0.000 0.246 3009 D C 0.131 175.967 176.300 -0.773 0.000 1.109 3009 D CA -0.148 53.531 54.000 -0.534 0.000 0.845 3009 D CB 1.955 42.607 40.800 -0.247 0.000 1.160 3009 D HN 0.723 nan 8.370 nan 0.000 0.534 3010 A N 3.624 126.075 122.820 -0.615 0.000 2.167 3010 A HA 0.045 4.366 4.320 0.001 0.000 0.214 3010 A C 1.276 178.746 177.584 -0.189 0.000 1.151 3010 A CA 1.268 53.103 52.037 -0.336 0.000 0.735 3010 A CB -0.406 18.611 19.000 0.029 0.000 0.802 3010 A HN 0.849 nan 8.150 nan 0.000 0.467 3011 E N -1.783 118.323 120.200 -0.157 0.000 4.908 3011 E HA -0.254 4.097 4.350 0.001 0.000 0.164 3011 E C -0.111 176.456 176.600 -0.056 0.000 1.196 3011 E CA 1.591 57.934 56.400 -0.096 0.000 2.347 3011 E CB -1.667 27.978 29.700 -0.093 0.000 1.786 3011 E HN 0.652 nan 8.360 nan 0.000 0.456 3012 I N 3.919 124.451 120.570 -0.062 0.000 2.494 3012 I HA 0.080 4.251 4.170 0.001 0.000 0.289 3012 I C -2.205 173.939 176.117 0.045 0.000 1.106 3012 I CA -1.409 59.879 61.300 -0.020 0.000 1.369 3012 I CB -0.057 37.905 38.000 -0.063 0.000 1.410 3012 I HN -0.059 nan 8.210 nan 0.000 0.523 3013 P HA 0.072 nan 4.420 nan 0.000 0.267 3013 P C 0.822 178.170 177.300 0.080 0.000 1.205 3013 P CA 0.474 63.605 63.100 0.051 0.000 0.765 3013 P CB 0.768 32.488 31.700 0.032 0.000 0.828 3014 G N 1.940 110.793 108.800 0.089 0.000 2.179 3014 G HA2 -0.340 3.620 3.960 0.001 0.000 0.260 3014 G HA3 -0.340 3.620 3.960 0.001 0.000 0.260 3014 G C 1.044 176.018 174.900 0.124 0.000 0.977 3014 G CA 0.660 45.815 45.100 0.092 0.000 0.641 3014 G HN 0.641 nan 8.290 nan 0.000 0.533 3015 H N -0.096 119.006 119.070 0.052 0.000 2.363 3015 H HA 0.200 4.757 4.556 0.001 0.000 0.301 3015 H C 2.679 178.049 175.328 0.070 0.000 1.074 3015 H CA 2.130 58.224 56.048 0.076 0.000 1.354 3015 H CB 0.019 29.822 29.762 0.069 0.000 1.397 3015 H HN 0.350 nan 8.280 nan 0.000 0.516 3016 M N -0.052 119.534 119.600 -0.024 0.000 2.288 3016 M HA -0.012 4.468 4.480 0.001 0.000 0.266 3016 M C 1.649 177.954 176.300 0.008 0.000 1.072 3016 M CA 0.660 55.832 55.300 -0.214 0.000 1.132 3016 M CB -0.884 31.724 32.600 0.013 0.000 1.386 3016 M HN 0.560 nan 8.290 nan 0.000 0.432 3017 c N 0.836 119.482 118.600 0.078 0.000 2.336 3017 c HA 0.348 4.919 4.570 0.001 0.000 0.332 3017 c C 1.209 175.327 174.090 0.047 0.000 1.375 3017 c CA -0.911 55.473 56.329 0.093 0.000 1.785 3017 c CB -2.276 40.292 42.510 0.096 0.000 2.407 3017 c HN 0.525 nan 8.230 nan 0.000 0.562 3018 N N 0.623 119.346 118.700 0.038 0.000 2.383 3018 N HA 0.199 4.940 4.740 0.001 0.000 0.192 3018 N C 1.382 176.863 175.510 -0.048 0.000 1.141 3018 N CA 0.557 53.607 53.050 0.001 0.000 0.851 3018 N CB -0.392 38.088 38.487 -0.012 0.000 0.976 3018 N HN 0.903 nan 8.380 nan 0.000 0.465 3019 G N -0.573 108.185 108.800 -0.069 0.000 2.212 3019 G HA2 -0.328 3.633 3.960 0.001 0.000 0.266 3019 G HA3 -0.328 3.633 3.960 0.001 0.000 0.266 3019 G C -0.179 174.565 174.900 -0.260 0.000 0.978 3019 G CA 0.423 45.433 45.100 -0.150 0.000 0.632 3019 G HN 0.531 nan 8.290 nan 0.000 0.537 3020 Q N -1.111 118.532 119.800 -0.261 0.000 2.227 3020 Q HA 0.471 4.812 4.340 0.001 0.000 0.245 3020 Q C -0.205 175.449 176.000 -0.577 0.000 0.926 3020 Q CA -0.937 54.646 55.803 -0.367 0.000 0.895 3020 Q CB 0.893 29.445 28.738 -0.311 0.000 1.230 3020 Q HN 0.391 nan 8.270 nan 0.000 0.450 3021 W N 2.013 123.069 121.300 -0.407 0.000 2.210 3021 W HA 0.056 4.717 4.660 0.001 0.000 0.330 3021 W C 0.298 176.388 176.519 -0.715 0.000 1.334 3021 W CA 0.244 57.337 57.345 -0.419 0.000 1.227 3021 W CB 0.515 29.843 29.460 -0.222 0.000 1.178 3021 W HN 0.377 nan 8.180 nan 0.000 0.560 3022 H N 2.404 121.351 119.070 -0.206 0.000 2.600 3022 H HA 0.256 4.813 4.556 0.001 0.000 0.357 3022 H C -0.690 174.525 175.328 -0.188 0.000 1.106 3022 H CA -1.143 54.713 56.048 -0.320 0.000 1.193 3022 H CB 2.058 31.422 29.762 -0.663 0.000 1.594 3022 H HN 0.271 nan 8.280 nan 0.000 0.526 3023 K N 2.735 123.120 120.400 -0.026 0.000 2.211 3023 K HA 0.458 4.779 4.320 0.001 0.000 0.275 3023 K C -1.128 175.377 176.600 -0.159 0.000 1.024 3023 K CA -0.554 55.686 56.287 -0.079 0.000 0.887 3023 K CB 0.817 33.269 32.500 -0.080 0.000 1.084 3023 K HN 0.258 nan 8.250 nan 0.000 0.463 3024 V N 3.036 122.752 119.914 -0.330 0.000 2.656 3024 V HA 0.390 4.510 4.120 0.001 0.000 0.307 3024 V C -0.556 175.244 176.094 -0.491 0.000 1.051 3024 V CA -0.823 61.193 62.300 -0.473 0.000 0.893 3024 V CB 1.945 33.325 31.823 -0.738 0.000 0.999 3024 V HN 0.982 nan 8.190 nan 0.000 0.426 3025 T N 1.090 115.446 114.554 -0.330 0.000 2.881 3025 T HA 0.850 5.201 4.350 0.001 0.000 0.290 3025 T C -0.618 173.910 174.700 -0.288 0.000 1.000 3025 T CA -0.521 61.428 62.100 -0.251 0.000 0.978 3025 T CB 1.819 70.596 68.868 -0.152 0.000 0.997 3025 T HN 1.143 nan 8.240 nan 0.000 0.443 3026 A N 3.250 125.851 122.820 -0.366 0.000 2.340 3026 A HA 0.722 5.043 4.320 0.001 0.000 0.297 3026 A C -0.239 177.068 177.584 -0.461 0.000 1.195 3026 A CA -0.887 50.713 52.037 -0.729 0.000 0.769 3026 A CB 0.979 19.176 19.000 -1.339 0.000 1.163 3026 A HN 0.877 nan 8.150 nan 0.000 0.472 3027 K N 2.395 122.728 120.400 -0.111 0.000 2.274 3027 K HA 0.382 4.703 4.320 0.001 0.000 0.262 3027 K C -0.724 176.098 176.600 0.370 0.000 0.961 3027 K CA -0.502 55.860 56.287 0.125 0.000 0.833 3027 K CB 1.079 33.629 32.500 0.083 0.000 1.102 3027 K HN 0.657 nan 8.250 nan 0.000 0.436 3028 K N 5.779 126.383 120.400 0.339 0.000 2.293 3028 K HA 0.290 4.610 4.320 0.001 0.000 0.267 3028 K C -1.124 175.582 176.600 0.176 0.000 1.010 3028 K CA -0.603 55.852 56.287 0.279 0.000 0.875 3028 K CB 0.644 33.303 32.500 0.264 0.000 1.106 3028 K HN 0.504 nan 8.250 nan 0.000 0.450 3029 I N 6.138 126.797 120.570 0.150 0.000 2.503 3029 I HA 0.157 4.327 4.170 0.001 0.000 0.277 3029 I C -0.106 176.072 176.117 0.102 0.000 1.078 3029 I CA -0.406 60.960 61.300 0.109 0.000 1.184 3029 I CB 1.146 39.200 38.000 0.090 0.000 1.353 3029 I HN 0.830 nan 8.210 nan 0.000 0.490 3030 K N 2.411 122.872 120.400 0.100 0.000 4.777 3030 K HA -0.295 4.026 4.320 0.001 0.000 0.247 3030 K C 0.821 177.504 176.600 0.139 0.000 0.718 3030 K CA 1.845 58.187 56.287 0.091 0.000 0.778 3030 K CB -1.022 31.510 32.500 0.053 0.000 0.780 3030 K HN 0.485 nan 8.250 nan 0.000 0.811 3031 N N 1.275 120.032 118.700 0.094 0.000 2.230 3031 N HA 0.069 4.810 4.740 0.001 0.000 0.202 3031 N C -0.544 175.044 175.510 0.131 0.000 1.119 3031 N CA 0.114 53.204 53.050 0.067 0.000 0.851 3031 N CB 0.377 38.772 38.487 -0.154 0.000 0.990 3031 N HN 0.259 nan 8.380 nan 0.000 0.497 3032 R N 0.707 121.303 120.500 0.159 0.000 2.460 3032 R HA 0.479 4.820 4.340 0.001 0.000 0.303 3032 R C -1.008 175.406 176.300 0.189 0.000 0.968 3032 R CA -0.382 55.811 56.100 0.155 0.000 0.889 3032 R CB 0.860 31.217 30.300 0.096 0.000 1.123 3032 R HN -0.074 nan 8.270 nan 0.000 0.455 3033 L N 3.302 124.635 121.223 0.183 0.000 2.346 3033 L HA 0.501 4.842 4.340 0.001 0.000 0.274 3033 L C -0.545 176.458 176.870 0.222 0.000 1.007 3033 L CA -0.748 54.200 54.840 0.181 0.000 0.818 3033 L CB 2.237 44.278 42.059 -0.031 0.000 1.284 3033 L HN 0.663 nan 8.230 nan 0.000 0.424 3034 E N 3.437 123.812 120.200 0.293 0.000 2.279 3034 E HA 0.379 4.729 4.350 0.001 0.000 0.252 3034 E C -1.490 175.203 176.600 0.153 0.000 0.894 3034 E CA -0.655 55.852 56.400 0.180 0.000 0.785 3034 E CB 2.839 32.607 29.700 0.113 0.000 1.237 3034 E HN 0.225 nan 8.360 nan 0.000 0.418 3035 L N 3.688 124.992 121.223 0.136 0.000 2.296 3035 L HA 0.460 4.801 4.340 0.001 0.000 0.286 3035 L C -1.369 175.485 176.870 -0.026 0.000 1.023 3035 L CA -0.725 54.138 54.840 0.037 0.000 0.812 3035 L CB 1.592 43.723 42.059 0.120 0.000 1.223 3035 L HN 0.266 nan 8.230 nan 0.000 0.421 3036 V N 5.965 125.813 119.914 -0.110 0.000 2.409 3036 V HA 0.487 4.608 4.120 0.001 0.000 0.290 3036 V C -0.663 175.291 176.094 -0.232 0.000 1.017 3036 V CA -0.646 61.570 62.300 -0.139 0.000 0.841 3036 V CB 1.733 33.497 31.823 -0.099 0.000 1.003 3036 V HN 0.492 nan 8.190 nan 0.000 0.426 3037 V N 3.721 123.409 119.914 -0.377 0.000 2.409 3037 V HA 0.473 4.594 4.120 0.001 0.000 0.291 3037 V C 0.168 176.041 176.094 -0.368 0.000 1.020 3037 V CA -0.580 61.439 62.300 -0.468 0.000 0.848 3037 V CB 1.357 32.662 31.823 -0.864 0.000 0.990 3037 V HN 0.959 nan 8.190 nan 0.000 0.430 3038 D N 4.258 124.560 120.400 -0.164 0.000 2.751 3038 D HA -0.205 4.435 4.640 0.001 0.000 0.233 3038 D C 1.348 177.617 176.300 -0.052 0.000 1.149 3038 D CA 1.707 55.676 54.000 -0.052 0.000 0.682 3038 D CB -1.100 39.739 40.800 0.065 0.000 1.068 3038 D HN 1.435 nan 8.370 nan 0.000 0.429 3039 G N -0.610 108.141 108.800 -0.081 0.000 2.179 3039 G HA2 -0.332 3.629 3.960 0.001 0.000 0.260 3039 G HA3 -0.332 3.629 3.960 0.001 0.000 0.260 3039 G C 0.098 174.973 174.900 -0.041 0.000 0.977 3039 G CA 0.190 45.261 45.100 -0.050 0.000 0.641 3039 G HN 0.439 nan 8.290 nan 0.000 0.533 3040 N N 1.078 119.730 118.700 -0.079 0.000 2.439 3040 N HA 0.342 5.083 4.740 0.001 0.000 0.249 3040 N C -0.053 175.435 175.510 -0.036 0.000 1.003 3040 N CA -0.051 52.989 53.050 -0.017 0.000 0.942 3040 N CB 1.450 39.986 38.487 0.081 0.000 1.115 3040 N HN 0.653 nan 8.380 nan 0.000 0.505 3041 Q N 1.600 121.412 119.800 0.020 0.000 2.235 3041 Q HA 0.494 4.835 4.340 0.001 0.000 0.250 3041 Q C -1.269 174.781 176.000 0.083 0.000 0.909 3041 Q CA -0.537 55.285 55.803 0.032 0.000 0.910 3041 Q CB 1.054 29.808 28.738 0.027 0.000 1.223 3041 Q HN 0.264 nan 8.270 nan 0.000 0.432 3042 V N 3.927 123.897 119.914 0.094 0.000 2.569 3042 V HA 0.320 4.441 4.120 0.001 0.000 0.301 3042 V C -1.157 175.003 176.094 0.109 0.000 1.044 3042 V CA -0.914 61.455 62.300 0.115 0.000 0.874 3042 V CB 2.033 33.950 31.823 0.157 0.000 1.002 3042 V HN 0.841 nan 8.190 nan 0.000 0.424 3043 D N 2.904 123.361 120.400 0.095 0.000 2.228 3043 D HA 0.872 5.513 4.640 0.001 0.000 0.247 3043 D C -0.115 176.243 176.300 0.098 0.000 0.995 3043 D CA -0.081 53.978 54.000 0.099 0.000 0.903 3043 D CB 2.388 43.236 40.800 0.079 0.000 1.205 3043 D HN 0.810 nan 8.370 nan 0.000 0.459 3044 A N 0.876 123.764 122.820 0.113 0.000 2.539 3044 A HA 0.669 4.990 4.320 0.001 0.000 0.296 3044 A C -1.354 176.315 177.584 0.141 0.000 1.073 3044 A CA -0.615 51.498 52.037 0.127 0.000 0.700 3044 A CB 2.104 21.191 19.000 0.145 0.000 1.296 3044 A HN 0.354 nan 8.150 nan 0.000 0.405 3045 Q N 0.346 120.208 119.800 0.102 0.000 2.280 3045 Q HA 0.538 4.879 4.340 0.001 0.000 0.259 3045 Q C -1.278 174.632 176.000 -0.150 0.000 0.964 3045 Q CA -0.016 55.792 55.803 0.007 0.000 0.844 3045 Q CB 2.026 30.763 28.738 -0.001 0.000 1.334 3045 Q HN 0.951 nan 8.270 nan 0.000 0.423 3046 S N 4.417 119.850 115.700 -0.445 0.000 2.480 3046 S HA 0.561 5.031 4.470 0.001 0.000 0.286 3046 S C -1.808 172.583 174.600 -0.347 0.000 1.180 3046 S CA -1.478 56.355 58.200 -0.610 0.000 1.075 3046 S CB 0.821 63.175 63.200 -1.410 0.000 0.996 3046 S HN 0.677 nan 8.310 nan 0.000 0.487 3047 P HA 0.089 nan 4.420 nan 0.000 0.249 3047 P C -0.459 176.759 177.300 -0.137 0.000 1.229 3047 P CA 0.029 63.043 63.100 -0.143 0.000 0.788 3047 P CB -0.074 31.567 31.700 -0.098 0.000 1.072 3048 N N 1.043 119.634 118.700 -0.182 0.000 2.971 3048 N HA 0.006 4.747 4.740 0.001 0.000 0.294 3048 N C 1.212 176.651 175.510 -0.119 0.000 1.210 3048 N CA 0.224 53.191 53.050 -0.138 0.000 1.157 3048 N CB -0.201 38.201 38.487 -0.142 0.000 1.450 3048 N HN 0.198 nan 8.380 nan 0.000 0.527 3049 S N -0.606 115.040 115.700 -0.090 0.000 2.500 3049 S HA -0.145 4.326 4.470 0.001 0.000 0.239 3049 S C 1.847 176.419 174.600 -0.045 0.000 0.989 3049 S CA 0.596 58.757 58.200 -0.065 0.000 0.951 3049 S CB -0.021 63.149 63.200 -0.050 0.000 0.759 3049 S HN 0.453 nan 8.310 nan 0.000 0.523 3050 A N 0.985 123.778 122.820 -0.045 0.000 2.067 3050 A HA 0.223 4.543 4.320 0.001 0.000 0.219 3050 A C 1.176 178.745 177.584 -0.026 0.000 1.158 3050 A CA 0.697 52.715 52.037 -0.032 0.000 0.661 3050 A CB -0.215 18.765 19.000 -0.032 0.000 0.801 3050 A HN 0.449 nan 8.150 nan 0.000 0.452 3051 S N -0.698 114.984 115.700 -0.029 0.000 2.733 3051 S HA 0.420 4.891 4.470 0.001 0.000 0.307 3051 S C 0.527 175.129 174.600 0.002 0.000 1.127 3051 S CA 0.029 58.222 58.200 -0.011 0.000 1.097 3051 S CB 1.457 64.652 63.200 -0.009 0.000 1.003 3051 S HN 0.540 nan 8.310 nan 0.000 0.477 3052 T N -1.716 112.849 114.554 0.018 0.000 3.016 3052 T HA 0.274 4.625 4.350 0.001 0.000 0.271 3052 T C 0.535 175.270 174.700 0.060 0.000 0.968 3052 T CA -0.209 61.914 62.100 0.039 0.000 0.891 3052 T CB 0.406 69.287 68.868 0.021 0.000 1.149 3052 T HN 0.397 nan 8.240 nan 0.000 0.524 3053 S N 1.109 116.837 115.700 0.047 0.000 2.454 3053 S HA 0.723 5.194 4.470 0.001 0.000 0.306 3053 S C -0.307 174.325 174.600 0.053 0.000 1.100 3053 S CA -0.587 57.641 58.200 0.047 0.000 1.087 3053 S CB 1.001 64.217 63.200 0.027 0.000 1.019 3053 S HN 0.603 nan 8.310 nan 0.000 0.480 3054 A N 4.195 127.053 122.820 0.064 0.000 2.650 3054 A HA 0.316 4.637 4.320 0.001 0.000 0.320 3054 A C -0.038 177.582 177.584 0.060 0.000 1.466 3054 A CA -0.548 51.530 52.037 0.068 0.000 1.099 3054 A CB -0.213 18.838 19.000 0.085 0.000 1.136 3054 A HN 0.858 nan 8.150 nan 0.000 0.532 3055 D N 3.549 123.975 120.400 0.044 0.000 2.541 3055 D HA 0.062 4.702 4.640 0.001 0.000 0.231 3055 D C 0.641 176.972 176.300 0.051 0.000 1.163 3055 D CA 0.701 54.722 54.000 0.036 0.000 1.077 3055 D CB 0.284 41.097 40.800 0.021 0.000 1.110 3055 D HN 0.644 nan 8.370 nan 0.000 0.499 3056 T N -0.967 113.625 114.554 0.064 0.000 2.948 3056 T HA 0.446 4.797 4.350 0.001 0.000 0.285 3056 T C 0.231 174.968 174.700 0.061 0.000 1.019 3056 T CA -0.998 61.152 62.100 0.083 0.000 1.013 3056 T CB 2.154 71.098 68.868 0.127 0.000 1.117 3056 T HN 0.130 nan 8.240 nan 0.000 0.533 3057 N N 0.198 118.939 118.700 0.068 0.000 2.658 3057 N HA 0.267 5.008 4.740 0.001 0.000 0.238 3057 N C -2.077 173.472 175.510 0.065 0.000 1.495 3057 N CA -0.332 52.748 53.050 0.048 0.000 0.883 3057 N CB 0.479 38.982 38.487 0.028 0.000 1.463 3057 N HN 0.753 nan 8.380 nan 0.000 0.531 3058 D N -0.522 119.932 120.400 0.090 0.000 2.592 3058 D HA 0.474 5.115 4.640 0.001 0.000 0.263 3058 D C -2.764 173.560 176.300 0.039 0.000 1.132 3058 D CA -1.407 52.638 54.000 0.075 0.000 0.996 3058 D CB 1.609 42.465 40.800 0.093 0.000 1.442 3058 D HN 0.007 nan 8.370 nan 0.000 0.486 3059 P HA 0.173 nan 4.420 nan 0.000 0.274 3059 P C -0.887 176.152 177.300 -0.435 0.000 1.231 3059 P CA -0.418 62.504 63.100 -0.296 0.000 0.790 3059 P CB 0.646 32.025 31.700 -0.534 0.000 0.951 3060 V N 3.977 123.637 119.914 -0.424 0.000 2.348 3060 V HA 0.257 4.378 4.120 0.001 0.000 0.270 3060 V C -0.070 175.793 176.094 -0.385 0.000 1.037 3060 V CA 0.005 62.081 62.300 -0.372 0.000 0.872 3060 V CB -0.751 30.825 31.823 -0.411 0.000 1.002 3060 V HN 0.386 nan 8.190 nan 0.000 0.464 3061 F N 3.751 123.707 119.950 0.010 0.000 2.399 3061 F HA 0.670 5.198 4.527 0.001 0.000 0.334 3061 F C 0.180 176.030 175.800 0.083 0.000 1.097 3061 F CA -0.652 57.418 58.000 0.116 0.000 1.076 3061 F CB 1.861 40.930 39.000 0.115 0.000 1.162 3061 F HN 0.162 nan 8.300 nan 0.000 0.495 3062 V N 1.495 121.631 119.914 0.371 0.000 2.588 3062 V HA 0.609 4.730 4.120 0.001 0.000 0.304 3062 V C 0.421 176.582 176.094 0.111 0.000 1.042 3062 V CA -0.336 62.063 62.300 0.165 0.000 0.877 3062 V CB 1.100 33.108 31.823 0.308 0.000 0.996 3062 V HN 0.999 nan 8.190 nan 0.000 0.425 3063 G N 3.008 111.670 108.800 -0.229 0.000 2.234 3063 G HA2 0.096 4.056 3.960 0.001 0.000 0.260 3063 G HA3 0.096 4.056 3.960 0.001 0.000 0.260 3063 G C 0.676 175.613 174.900 0.063 0.000 0.987 3063 G CA 0.193 45.148 45.100 -0.240 0.000 0.625 3063 G HN 2.122 nan 8.290 nan 0.000 0.532 3064 G N -1.403 107.487 108.800 0.150 0.000 2.327 3064 G HA2 0.730 4.690 3.960 0.001 0.000 0.291 3064 G HA3 0.730 4.690 3.960 0.001 0.000 0.291 3064 G C -0.832 174.024 174.900 -0.073 0.000 1.290 3064 G CA -0.031 45.088 45.100 0.031 0.000 0.857 3064 G HN 1.768 nan 8.290 nan 0.000 0.520 3065 F N -2.555 116.980 119.950 -0.691 0.000 2.713 3065 F HA 0.817 5.344 4.527 0.001 0.000 0.311 3065 F C -3.054 171.925 175.800 -1.368 0.000 1.141 3065 F CA -2.517 54.673 58.000 -1.351 0.000 0.939 3065 F CB 0.707 39.102 39.000 -1.007 0.000 1.325 3065 F HN 0.449 nan 8.300 nan 0.000 0.453 3066 P HA 0.248 nan 4.420 nan 0.000 0.267 3066 P C 0.069 177.173 177.300 -0.327 0.000 1.205 3066 P CA 0.201 62.935 63.100 -0.610 0.000 0.765 3066 P CB 0.677 32.175 31.700 -0.337 0.000 0.828 3067 G N 1.833 110.471 108.800 -0.271 0.000 2.432 3067 G HA2 0.353 4.314 3.960 0.001 0.000 0.239 3067 G HA3 0.353 4.314 3.960 0.001 0.000 0.239 3067 G C 1.005 175.856 174.900 -0.080 0.000 1.291 3067 G CA 0.208 45.197 45.100 -0.185 0.000 0.863 3067 G HN 0.856 nan 8.290 nan 0.000 0.560 3068 G N 0.461 109.238 108.800 -0.038 0.000 2.195 3068 G HA2 -0.234 3.727 3.960 0.001 0.000 0.246 3068 G HA3 -0.234 3.727 3.960 0.001 0.000 0.246 3068 G C 0.419 175.304 174.900 -0.024 0.000 0.984 3068 G CA 0.296 45.382 45.100 -0.023 0.000 0.633 3068 G HN 0.710 nan 8.290 nan 0.000 0.525 3069 L N 0.934 122.148 121.223 -0.015 0.000 2.357 3069 L HA 0.433 4.774 4.340 0.001 0.000 0.273 3069 L C 0.046 176.793 176.870 -0.204 0.000 1.080 3069 L CA -1.049 53.736 54.840 -0.092 0.000 0.803 3069 L CB 0.904 42.886 42.059 -0.129 0.000 1.174 3069 L HN 0.050 nan 8.230 nan 0.000 0.443 3070 N N 2.293 120.795 118.700 -0.329 0.000 2.499 3070 N HA 0.197 4.938 4.740 0.001 0.000 0.281 3070 N C -0.685 174.345 175.510 -0.801 0.000 1.098 3070 N CA -0.277 52.403 53.050 -0.617 0.000 0.979 3070 N CB 1.466 39.465 38.487 -0.812 0.000 1.121 3070 N HN 0.412 nan 8.380 nan 0.000 0.466 3071 Q N 2.312 121.576 119.800 -0.895 0.000 3.090 3071 Q HA 0.211 4.552 4.340 0.001 0.000 0.241 3071 Q C 0.021 175.694 176.000 -0.545 0.000 0.958 3071 Q CA -0.270 55.077 55.803 -0.759 0.000 0.715 3071 Q CB 0.233 28.345 28.738 -1.043 0.000 1.298 3071 Q HN 0.576 nan 8.270 nan 0.000 0.468 3072 F N -0.582 119.270 119.950 -0.164 0.000 2.664 3072 F HA -0.018 4.509 4.527 0.001 0.000 0.297 3072 F C 1.836 177.557 175.800 -0.132 0.000 1.164 3072 F CA 0.758 58.683 58.000 -0.124 0.000 1.472 3072 F CB 0.452 39.406 39.000 -0.077 0.000 1.108 3072 F HN 0.476 nan 8.300 nan 0.000 0.596 3073 G N -0.276 108.506 108.800 -0.030 0.000 3.324 3073 G HA2 0.405 4.366 3.960 0.001 0.000 0.251 3073 G HA3 0.405 4.366 3.960 0.001 0.000 0.251 3073 G C 0.044 174.909 174.900 -0.058 0.000 1.072 3073 G CA -0.086 45.003 45.100 -0.018 0.000 0.787 3073 G HN 0.125 nan 8.290 nan 0.000 0.537 3074 L N 0.192 121.319 121.223 -0.161 0.000 2.370 3074 L HA 0.455 4.796 4.340 0.001 0.000 0.266 3074 L C 1.214 177.977 176.870 -0.179 0.000 1.002 3074 L CA -0.648 54.118 54.840 -0.122 0.000 0.818 3074 L CB 2.521 44.531 42.059 -0.081 0.000 1.325 3074 L HN 0.096 nan 8.230 nan 0.000 0.418 3075 T N -4.109 110.370 114.554 -0.126 0.000 3.010 3075 T HA 0.106 4.457 4.350 0.001 0.000 0.257 3075 T C 0.482 175.182 174.700 0.001 0.000 1.020 3075 T CA -0.017 62.029 62.100 -0.090 0.000 0.938 3075 T CB 0.447 69.250 68.868 -0.108 0.000 1.049 3075 T HN 0.498 nan 8.240 nan 0.000 0.522 3076 T N 1.717 116.299 114.554 0.046 0.000 2.916 3076 T HA 0.520 4.871 4.350 0.001 0.000 0.292 3076 T C -0.131 174.632 174.700 0.104 0.000 1.064 3076 T CA -0.565 61.569 62.100 0.056 0.000 1.011 3076 T CB 1.654 70.549 68.868 0.044 0.000 1.152 3076 T HN 0.459 nan 8.240 nan 0.000 0.510 3077 N N 1.833 120.538 118.700 0.009 0.000 2.160 3077 N HA 0.263 5.004 4.740 0.001 0.000 0.226 3077 N C -0.075 175.312 175.510 -0.205 0.000 1.256 3077 N CA -0.394 52.555 53.050 -0.168 0.000 0.890 3077 N CB 0.251 38.558 38.487 -0.300 0.000 1.116 3077 N HN 0.418 nan 8.380 nan 0.000 0.517 3078 I N 2.196 122.717 120.570 -0.082 0.000 2.618 3078 I HA 0.026 4.197 4.170 0.001 0.000 0.284 3078 I C 0.464 176.554 176.117 -0.044 0.000 1.146 3078 I CA -0.165 61.100 61.300 -0.058 0.000 1.425 3078 I CB 0.545 38.538 38.000 -0.012 0.000 1.383 3078 I HN 0.119 nan 8.210 nan 0.000 0.562 3079 R N 5.278 125.752 120.500 -0.044 0.000 2.390 3079 R HA 0.228 4.569 4.340 0.001 0.000 0.291 3079 R C -0.399 175.925 176.300 0.041 0.000 1.070 3079 R CA -0.649 55.451 56.100 0.000 0.000 1.014 3079 R CB 0.678 30.982 30.300 0.006 0.000 1.007 3079 R HN 0.363 nan 8.270 nan 0.000 0.466 3080 F N 2.547 122.426 119.950 -0.118 0.000 2.572 3080 F HA 0.071 4.599 4.527 0.001 0.000 0.370 3080 F C 0.419 176.155 175.800 -0.108 0.000 1.103 3080 F CA -0.052 57.852 58.000 -0.159 0.000 1.286 3080 F CB 0.469 39.274 39.000 -0.325 0.000 1.105 3080 F HN 0.329 nan 8.300 nan 0.000 0.583 3081 R N 4.386 124.365 120.500 -0.867 0.000 2.412 3081 R HA 0.661 5.002 4.340 0.001 0.000 0.304 3081 R C -0.599 175.073 176.300 -1.047 0.000 1.066 3081 R CA 0.179 55.847 56.100 -0.719 0.000 0.923 3081 R CB 0.769 30.827 30.300 -0.403 0.000 1.156 3081 R HN 0.947 nan 8.270 nan 0.000 0.513 3082 G N 1.146 109.371 108.800 -0.959 0.000 2.360 3082 G HA2 0.210 4.171 3.960 0.001 0.000 0.276 3082 G HA3 0.210 4.171 3.960 0.001 0.000 0.276 3082 G C -1.664 173.283 174.900 0.079 0.000 1.256 3082 G CA -0.157 44.636 45.100 -0.512 0.000 0.890 3082 G HN 0.636 nan 8.290 nan 0.000 0.486 3083 c N 0.179 118.951 118.600 0.287 0.000 2.498 3083 c HA 0.885 5.456 4.570 0.001 0.000 0.316 3083 c C -0.352 174.087 174.090 0.583 0.000 1.209 3083 c CA -0.530 56.050 56.329 0.418 0.000 1.518 3083 c CB -0.267 42.358 42.510 0.191 0.000 2.147 3083 c HN 0.582 nan 8.230 nan 0.000 0.483 3084 I N 5.960 126.902 120.570 0.620 0.000 2.608 3084 I HA 0.662 4.833 4.170 0.001 0.000 0.295 3084 I C -0.316 176.101 176.117 0.501 0.000 1.049 3084 I CA -0.520 61.120 61.300 0.568 0.000 1.063 3084 I CB 1.725 39.894 38.000 0.282 0.000 1.248 3084 I HN 0.709 nan 8.210 nan 0.000 0.424 3085 R N 3.237 124.027 120.500 0.483 0.000 2.740 3085 R HA 0.446 4.787 4.340 0.001 0.000 0.273 3085 R C -0.774 175.655 176.300 0.215 0.000 0.998 3085 R CA -0.325 55.928 56.100 0.254 0.000 0.900 3085 R CB 1.981 32.275 30.300 -0.011 0.000 1.223 3085 R HN 0.681 nan 8.270 nan 0.000 0.466 3086 S N 0.530 116.329 115.700 0.166 0.000 3.682 3086 S HA -0.197 4.274 4.470 0.001 0.000 0.354 3086 S C -0.037 174.678 174.600 0.192 0.000 1.034 3086 S CA 0.734 59.012 58.200 0.130 0.000 1.084 3086 S CB -1.516 61.709 63.200 0.042 0.000 0.903 3086 S HN 0.542 nan 8.310 nan 0.000 0.470 3087 L N 1.929 123.306 121.223 0.257 0.000 2.418 3087 L HA 0.450 4.790 4.340 0.001 0.000 0.274 3087 L C 0.123 177.064 176.870 0.117 0.000 1.135 3087 L CA 0.884 55.866 54.840 0.237 0.000 0.870 3087 L CB 0.255 42.468 42.059 0.257 0.000 1.154 3087 L HN 0.199 nan 8.230 nan 0.000 0.462 3088 K N 5.673 126.137 120.400 0.106 0.000 2.378 3088 K HA 0.613 4.934 4.320 0.001 0.000 0.252 3088 K C -1.574 175.057 176.600 0.051 0.000 0.931 3088 K CA -0.832 55.489 56.287 0.058 0.000 0.794 3088 K CB 2.060 34.591 32.500 0.052 0.000 1.181 3088 K HN 0.281 nan 8.250 nan 0.000 0.425 3089 L N 2.305 123.554 121.223 0.043 0.000 2.316 3089 L HA 0.374 4.715 4.340 0.001 0.000 0.280 3089 L C -0.660 176.289 176.870 0.131 0.000 1.006 3089 L CA -0.197 54.689 54.840 0.077 0.000 0.836 3089 L CB 1.610 43.690 42.059 0.034 0.000 1.221 3089 L HN 0.618 nan 8.230 nan 0.000 0.418 3090 T N 2.965 117.591 114.554 0.120 0.000 2.786 3090 T HA 0.359 4.710 4.350 0.001 0.000 0.283 3090 T C 0.083 174.847 174.700 0.108 0.000 0.992 3090 T CA -0.742 61.417 62.100 0.098 0.000 0.954 3090 T CB 1.005 69.909 68.868 0.059 0.000 0.934 3090 T HN 0.259 nan 8.240 nan 0.000 0.440 3091 K N 3.027 123.477 120.400 0.084 0.000 2.220 3091 K HA 0.433 4.754 4.320 0.001 0.000 0.283 3091 K C 1.397 178.018 176.600 0.034 0.000 1.098 3091 K CA 0.089 56.406 56.287 0.051 0.000 0.928 3091 K CB 0.307 32.793 32.500 -0.024 0.000 1.214 3091 K HN 0.905 nan 8.250 nan 0.000 0.442 3092 G N 2.542 111.371 108.800 0.048 0.000 3.729 3092 G HA2 -0.418 3.543 3.960 0.001 0.000 0.327 3092 G HA3 -0.418 3.543 3.960 0.001 0.000 0.327 3092 G C 0.637 175.555 174.900 0.031 0.000 1.293 3092 G CA 0.941 46.063 45.100 0.038 0.000 1.011 3092 G HN 0.640 nan 8.290 nan 0.000 0.673 3093 T N -1.354 113.212 114.554 0.020 0.000 3.516 3093 T HA 0.655 5.006 4.350 0.001 0.000 0.300 3093 T C 0.797 175.504 174.700 0.011 0.000 0.995 3093 T CA 0.873 62.983 62.100 0.016 0.000 0.982 3093 T CB 0.443 69.319 68.868 0.012 0.000 1.199 3093 T HN 1.712 nan 8.240 nan 0.000 0.481 3094 G N 0.833 109.640 108.800 0.012 0.000 2.525 3094 G HA2 0.468 4.429 3.960 0.001 0.000 0.287 3094 G HA3 0.468 4.429 3.960 0.001 0.000 0.287 3094 G C -0.664 174.241 174.900 0.009 0.000 1.350 3094 G CA -1.114 43.989 45.100 0.005 0.000 1.039 3094 G HN 0.502 nan 8.290 nan 0.000 0.513 3095 K N 1.120 121.523 120.400 0.005 0.000 2.315 3095 K HA 0.236 4.557 4.320 0.001 0.000 0.291 3095 K C -2.044 174.566 176.600 0.016 0.000 1.074 3095 K CA -1.006 55.285 56.287 0.006 0.000 0.936 3095 K CB 0.133 32.633 32.500 -0.001 0.000 1.049 3095 K HN 0.061 nan 8.250 nan 0.000 0.471 3096 P HA -0.133 nan 4.420 nan 0.000 0.264 3096 P C -0.918 176.400 177.300 0.030 0.000 1.179 3096 P CA -0.016 63.103 63.100 0.033 0.000 0.763 3096 P CB 0.440 32.155 31.700 0.025 0.000 0.806 3097 L N 3.302 124.552 121.223 0.046 0.000 2.276 3097 L HA 0.239 4.580 4.340 0.001 0.000 0.286 3097 L C -0.081 176.794 176.870 0.009 0.000 1.024 3097 L CA -0.373 54.487 54.840 0.033 0.000 0.826 3097 L CB 0.441 42.543 42.059 0.072 0.000 1.211 3097 L HN 0.415 nan 8.230 nan 0.000 0.422 3098 E N 4.584 124.780 120.200 -0.006 0.000 2.052 3098 E HA 0.154 4.505 4.350 0.001 0.000 0.283 3098 E C -0.463 176.108 176.600 -0.048 0.000 1.071 3098 E CA -0.527 55.867 56.400 -0.010 0.000 0.851 3098 E CB 1.768 31.467 29.700 -0.001 0.000 1.066 3098 E HN 0.390 nan 8.360 nan 0.000 0.396 3099 V N 4.346 124.206 119.914 -0.088 0.000 2.493 3099 V HA -0.075 4.046 4.120 0.001 0.000 0.292 3099 V C 0.632 176.589 176.094 -0.227 0.000 1.016 3099 V CA 0.285 62.444 62.300 -0.236 0.000 1.097 3099 V CB -0.022 31.551 31.823 -0.417 0.000 0.947 3099 V HN 0.648 nan 8.190 nan 0.000 0.479 3100 N N 4.008 122.582 118.700 -0.210 0.000 2.558 3100 N HA 0.270 5.011 4.740 0.001 0.000 0.242 3100 N C 0.510 175.957 175.510 -0.105 0.000 0.979 3100 N CA -0.599 52.406 53.050 -0.075 0.000 0.931 3100 N CB 0.517 38.983 38.487 -0.034 0.000 1.122 3100 N HN 0.502 nan 8.380 nan 0.000 0.508 3101 F N 2.346 122.318 119.950 0.036 0.000 2.408 3101 F HA -0.054 4.474 4.527 0.001 0.000 0.300 3101 F C 2.366 178.179 175.800 0.021 0.000 1.090 3101 F CA 0.645 58.663 58.000 0.029 0.000 1.427 3101 F CB -0.006 39.010 39.000 0.028 0.000 1.070 3101 F HN 0.607 nan 8.300 nan 0.000 0.549 3102 A N -0.460 122.460 122.820 0.167 0.000 2.206 3102 A HA -0.082 4.239 4.320 0.001 0.000 0.211 3102 A C 1.811 179.440 177.584 0.075 0.000 1.158 3102 A CA 0.798 52.906 52.037 0.118 0.000 0.761 3102 A CB -0.408 18.655 19.000 0.106 0.000 0.801 3102 A HN 0.332 nan 8.150 nan 0.000 0.473 3103 K N -0.271 120.151 120.400 0.037 0.000 2.792 3103 K HA 0.502 4.823 4.320 0.001 0.000 0.207 3103 K C 0.138 176.731 176.600 -0.012 0.000 1.103 3103 K CA 0.081 56.373 56.287 0.009 0.000 1.048 3103 K CB 0.189 32.679 32.500 -0.017 0.000 0.777 3103 K HN 0.312 nan 8.250 nan 0.000 0.468 3104 A N 0.706 123.530 122.820 0.006 0.000 2.366 3104 A HA 0.238 4.559 4.320 0.001 0.000 0.249 3104 A C 1.019 178.613 177.584 0.017 0.000 1.084 3104 A CA -0.367 51.665 52.037 -0.008 0.000 0.794 3104 A CB 0.288 19.319 19.000 0.052 0.000 1.034 3104 A HN 0.445 nan 8.150 nan 0.000 0.491 3105 L N -0.634 120.595 121.223 0.010 0.000 2.217 3105 L HA 0.100 4.440 4.340 0.001 0.000 0.211 3105 L C 1.018 177.917 176.870 0.050 0.000 1.107 3105 L CA 1.155 56.011 54.840 0.027 0.000 0.783 3105 L CB -0.063 42.006 42.059 0.016 0.000 0.919 3105 L HN 0.851 nan 8.230 nan 0.000 0.442 3106 E N -0.045 120.188 120.200 0.055 0.000 2.388 3106 E HA 0.439 4.789 4.350 0.001 0.000 0.289 3106 E C -1.671 174.925 176.600 -0.007 0.000 0.944 3106 E CA -0.407 56.016 56.400 0.038 0.000 0.792 3106 E CB 1.683 31.433 29.700 0.084 0.000 1.239 3106 E HN -0.033 nan 8.360 nan 0.000 0.412 3107 L N 3.700 124.886 121.223 -0.062 0.000 2.386 3107 L HA 0.679 5.020 4.340 0.001 0.000 0.271 3107 L C -0.586 176.163 176.870 -0.202 0.000 0.993 3107 L CA -0.772 54.003 54.840 -0.110 0.000 0.819 3107 L CB 2.148 44.176 42.059 -0.052 0.000 1.294 3107 L HN 0.438 nan 8.230 nan 0.000 0.414 3108 R N 1.605 121.932 120.500 -0.288 0.000 2.512 3108 R HA 0.445 4.786 4.340 0.001 0.000 0.291 3108 R C 0.125 176.312 176.300 -0.189 0.000 1.097 3108 R CA -0.386 55.550 56.100 -0.272 0.000 0.940 3108 R CB 1.933 31.979 30.300 -0.424 0.000 1.198 3108 R HN 0.885 nan 8.270 nan 0.000 0.429 3109 G N 1.334 110.054 108.800 -0.134 0.000 2.246 3109 G HA2 -0.230 3.731 3.960 0.001 0.000 0.273 3109 G HA3 -0.230 3.731 3.960 0.001 0.000 0.273 3109 G C -0.364 174.430 174.900 -0.176 0.000 1.055 3109 G CA 0.240 45.274 45.100 -0.111 0.000 0.851 3109 G HN 0.364 nan 8.290 nan 0.000 0.500 3110 V N -0.050 119.741 119.914 -0.206 0.000 2.686 3110 V HA 0.571 4.691 4.120 0.001 0.000 0.306 3110 V C -0.151 175.830 176.094 -0.188 0.000 1.065 3110 V CA -1.023 61.070 62.300 -0.344 0.000 0.894 3110 V CB 2.062 33.616 31.823 -0.449 0.000 1.004 3110 V HN 0.315 nan 8.190 nan 0.000 0.424 3111 Q N 6.306 126.034 119.800 -0.119 0.000 2.431 3111 Q HA 0.332 4.672 4.340 0.001 0.000 0.249 3111 Q C -1.799 174.183 176.000 -0.031 0.000 1.025 3111 Q CA -2.157 53.661 55.803 0.026 0.000 0.835 3111 Q CB 2.185 31.081 28.738 0.265 0.000 1.207 3111 Q HN 0.474 nan 8.270 nan 0.000 0.490 3112 P HA -0.140 nan 4.420 nan 0.000 0.218 3112 P C 0.888 178.238 177.300 0.084 0.000 1.148 3112 P CA 1.326 64.443 63.100 0.030 0.000 0.822 3112 P CB 0.360 32.118 31.700 0.097 0.000 0.784 3113 V N -5.705 114.263 119.914 0.090 0.000 3.502 3113 V HA 0.406 4.526 4.120 0.001 0.000 0.288 3113 V C 0.610 176.778 176.094 0.123 0.000 1.461 3113 V CA -0.122 62.244 62.300 0.110 0.000 1.029 3113 V CB 0.224 32.109 31.823 0.103 0.000 0.843 3113 V HN 0.038 nan 8.190 nan 0.000 0.438 3114 S N -0.599 115.195 115.700 0.157 0.000 2.541 3114 S HA 0.726 5.197 4.470 0.001 0.000 0.280 3114 S C -1.076 173.704 174.600 0.300 0.000 1.112 3114 S CA -0.306 58.025 58.200 0.218 0.000 0.925 3114 S CB 1.761 65.086 63.200 0.208 0.000 1.067 3114 S HN 0.445 nan 8.310 nan 0.000 0.479 3115 c N 5.396 124.106 118.600 0.183 0.000 2.396 3115 c HA 0.618 5.189 4.570 0.001 0.000 0.321 3115 c C -2.603 171.338 174.090 -0.249 0.000 1.233 3115 c CA -1.353 54.969 56.329 -0.012 0.000 1.440 3115 c CB 1.331 43.933 42.510 0.154 0.000 2.110 3115 c HN 0.678 nan 8.230 nan 0.000 0.473 3116 P HA 0.210 nan 4.420 nan 0.000 0.268 3116 P C -0.015 177.074 177.300 -0.351 0.000 1.205 3116 P CA 0.369 63.017 63.100 -0.754 0.000 0.771 3116 P CB 0.593 31.588 31.700 -1.175 0.000 0.858 3117 T N 0.000 114.427 114.554 -0.212 0.000 3.816 3117 T HA 0.000 4.351 4.350 0.001 0.000 0.228 3117 T CA 0.000 62.025 62.100 -0.126 0.000 1.349 3117 T CB 0.000 68.842 68.868 -0.043 0.000 0.612 3117 T HN 0.000 nan 8.240 nan 0.000 0.658